USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 771 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 54 SER OG : rot -149:sc= 1.27 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -1.4! C(o=-0.13!,f=-8.9!) USER MOD Set 2.1: A 45 SER OG : rot 113:sc= 0.0646 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -1.73 K(o=-1.8,f=-0.71) USER MOD Set 2.3: A 52 THR OG1 : rot 180:sc= 0.0636 USER MOD Set 2.4: A 65 MET CE :methyl -125:sc= -0.176 (180deg=-1.85) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -3.38 K(o=-5.1,f=-6.9!) USER MOD Set 3.2: A 109 CYS SG : rot 117:sc= -1.72 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0502 K(o=-0.05,f=-1.6) USER MOD Single : A 39 SER OG : rot 93:sc= 0.104 USER MOD Single : A 46 HIS : no HD1:sc= -0.853 K(o=-0.85,f=-0.17) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -127:sc= 0.502 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.144) USER MOD Single : A 58 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 60:sc= 1.35 USER MOD Single : A 61 CYS SG : rot -120:sc= -0.748 USER MOD Single : A 62 CYS SG : rot 32:sc= -0.994 USER MOD Single : A 67 LYS NZ :NH3+ -125:sc= -1.3! (180deg=-2.98!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 75 MET CE :methyl -178:sc= -1.09 (180deg=-1.11) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -9.05! C(o=-9!,f=-6.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 18:sc= 0.83 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.4) USER MOD Single : A 94 GLN : amide:sc= 0.0276 X(o=0.028,f=-0.42) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -7.752 2.253 -16.543 1.00 0.00 N ATOM 156 CA VAL A 15 -7.097 2.391 -15.248 1.00 0.00 C ATOM 157 C VAL A 15 -6.740 3.846 -14.965 1.00 0.00 C ATOM 158 O VAL A 15 -6.249 4.571 -15.831 1.00 0.00 O ATOM 159 CB VAL A 15 -5.819 1.536 -15.172 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.790 2.022 -16.182 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.247 1.557 -13.763 1.00 0.00 C ATOM 0 HA VAL A 15 -7.804 2.041 -14.496 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.077 0.506 -15.419 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.894 1.406 -16.113 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.204 1.949 -17.187 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.534 3.060 -15.970 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.344 0.947 -13.728 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.004 2.582 -13.484 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.983 1.156 -13.066 1.00 0.00 H new ATOM 171 N PRO A 16 -6.990 4.286 -13.722 1.00 0.00 N ATOM 172 CA PRO A 16 -6.700 5.657 -13.295 1.00 0.00 C ATOM 173 C PRO A 16 -5.203 5.931 -13.196 1.00 0.00 C ATOM 174 O PRO A 16 -4.386 5.025 -13.360 1.00 0.00 O ATOM 175 CB PRO A 16 -7.351 5.743 -11.913 1.00 0.00 C ATOM 176 CG PRO A 16 -7.383 4.338 -11.420 1.00 0.00 C ATOM 177 CD PRO A 16 -7.573 3.476 -12.638 1.00 0.00 C ATOM 0 HA PRO A 16 -7.076 6.393 -14.006 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.777 6.384 -11.244 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.355 6.164 -11.974 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.457 4.085 -10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.196 4.193 -10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.065 2.517 -12.535 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.626 3.261 -12.818 1.00 0.00 H new ATOM 185 N GLU A 17 -4.852 7.184 -12.926 1.00 0.00 N ATOM 186 CA GLU A 17 -3.452 7.575 -12.807 1.00 0.00 C ATOM 187 C GLU A 17 -2.944 7.352 -11.385 1.00 0.00 C ATOM 188 O GLU A 17 -1.820 6.896 -11.181 1.00 0.00 O ATOM 189 CB GLU A 17 -3.274 9.043 -13.199 1.00 0.00 C ATOM 190 CG GLU A 17 -4.407 9.940 -12.730 1.00 0.00 C ATOM 191 CD GLU A 17 -5.536 10.030 -13.739 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.291 9.742 -14.930 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.663 10.387 -13.339 1.00 0.00 O ATOM 0 H GLU A 17 -5.517 7.945 -12.786 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.869 6.952 -13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.336 9.410 -12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.191 9.113 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.798 9.561 -11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.018 10.939 -12.536 1.00 0.00 H new ATOM 200 N TRP A 18 -3.782 7.678 -10.407 1.00 0.00 N ATOM 201 CA TRP A 18 -3.419 7.514 -9.004 1.00 0.00 C ATOM 202 C TRP A 18 -3.118 6.053 -8.687 1.00 0.00 C ATOM 203 O TRP A 18 -2.574 5.737 -7.629 1.00 0.00 O ATOM 204 CB TRP A 18 -4.545 8.022 -8.102 1.00 0.00 C ATOM 205 CG TRP A 18 -5.868 7.374 -8.380 1.00 0.00 C ATOM 206 CD1 TRP A 18 -6.902 7.899 -9.099 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.297 6.082 -7.940 1.00 0.00 C ATOM 208 NE1 TRP A 18 -7.949 7.010 -9.134 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.604 5.887 -8.430 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.706 5.068 -7.181 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.325 4.722 -8.185 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.423 3.913 -6.938 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.721 3.746 -7.439 1.00 0.00 C ATOM 0 H TRP A 18 -4.717 8.057 -10.560 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.520 8.100 -8.816 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.274 7.846 -7.061 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.643 9.100 -8.228 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.898 8.870 -9.571 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.839 7.162 -9.608 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.706 5.186 -6.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.326 4.593 -8.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.975 3.124 -6.351 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.255 2.830 -7.233 1.00 0.00 H new ATOM 224 N PHE A 19 -3.474 5.166 -9.610 1.00 0.00 N ATOM 225 CA PHE A 19 -3.241 3.738 -9.426 1.00 0.00 C ATOM 226 C PHE A 19 -1.956 3.303 -10.124 1.00 0.00 C ATOM 227 O PHE A 19 -1.961 2.971 -11.309 1.00 0.00 O ATOM 228 CB PHE A 19 -4.426 2.934 -9.967 1.00 0.00 C ATOM 229 CG PHE A 19 -4.304 1.455 -9.731 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.416 0.933 -8.453 1.00 0.00 C ATOM 231 CD2 PHE A 19 -4.078 0.588 -10.788 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.303 -0.427 -8.233 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.965 -0.773 -10.575 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.079 -1.281 -9.295 1.00 0.00 C ATOM 0 H PHE A 19 -3.924 5.410 -10.492 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.137 3.546 -8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.343 3.294 -9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.520 3.117 -11.037 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.594 1.596 -7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.989 0.980 -11.790 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.390 -0.821 -7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.788 -1.438 -11.407 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.993 -2.344 -9.125 1.00 0.00 H new ATOM 244 N HIS A 20 -0.855 3.307 -9.379 1.00 0.00 N ATOM 245 CA HIS A 20 0.439 2.913 -9.925 1.00 0.00 C ATOM 246 C HIS A 20 0.669 1.415 -9.748 1.00 0.00 C ATOM 247 O HIS A 20 1.777 0.979 -9.439 1.00 0.00 O ATOM 248 CB HIS A 20 1.562 3.696 -9.245 1.00 0.00 C ATOM 249 CG HIS A 20 1.342 5.177 -9.241 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.089 6.053 -10.000 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.449 5.938 -8.564 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.668 7.287 -9.790 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.672 7.244 -8.922 1.00 0.00 N ATOM 0 H HIS A 20 -0.833 3.579 -8.396 1.00 0.00 H new ATOM 0 HA HIS A 20 0.441 3.140 -10.991 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.664 3.349 -8.217 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.503 3.478 -9.750 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.849 5.789 -10.627 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.300 5.583 -7.871 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.069 8.179 -10.249 1.00 0.00 H new ATOM 261 N GLY A 21 -0.386 0.631 -9.948 1.00 0.00 N ATOM 262 CA GLY A 21 -0.279 -0.809 -9.806 1.00 0.00 C ATOM 263 C GLY A 21 0.582 -1.212 -8.625 1.00 0.00 C ATOM 264 O GLY A 21 0.109 -1.258 -7.490 1.00 0.00 O ATOM 0 H GLY A 21 -1.314 0.968 -10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.275 -1.234 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.141 -1.231 -10.719 1.00 0.00 H new ATOM 268 N ALA A 22 1.850 -1.508 -8.892 1.00 0.00 N ATOM 269 CA ALA A 22 2.779 -1.910 -7.843 1.00 0.00 C ATOM 270 C ALA A 22 4.110 -1.178 -7.979 1.00 0.00 C ATOM 271 O ALA A 22 4.912 -1.488 -8.861 1.00 0.00 O ATOM 272 CB ALA A 22 2.996 -3.415 -7.878 1.00 0.00 C ATOM 0 H ALA A 22 2.257 -1.477 -9.827 1.00 0.00 H new ATOM 0 HA ALA A 22 2.342 -1.640 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.692 -3.701 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.044 -3.924 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.408 -3.701 -8.846 1.00 0.00 H new ATOM 278 N ILE A 23 4.337 -0.206 -7.102 1.00 0.00 N ATOM 279 CA ILE A 23 5.571 0.569 -7.124 1.00 0.00 C ATOM 280 C ILE A 23 6.391 0.334 -5.860 1.00 0.00 C ATOM 281 O ILE A 23 5.932 -0.319 -4.922 1.00 0.00 O ATOM 282 CB ILE A 23 5.287 2.076 -7.266 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.488 2.582 -6.064 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.539 2.354 -8.562 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.327 4.086 -6.037 1.00 0.00 C ATOM 0 H ILE A 23 3.683 0.063 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 23 6.140 0.232 -7.991 1.00 0.00 H new ATOM 0 HB ILE A 23 6.237 2.609 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.501 2.119 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.983 2.261 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.345 3.423 -8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.142 2.025 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.593 1.813 -8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.751 4.374 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.309 4.556 -5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.805 4.412 -6.936 1.00 0.00 H new ATOM 297 N SER A 24 7.606 0.874 -5.839 1.00 0.00 N ATOM 298 CA SER A 24 8.491 0.723 -4.691 1.00 0.00 C ATOM 299 C SER A 24 8.410 1.943 -3.778 1.00 0.00 C ATOM 300 O SER A 24 8.294 3.075 -4.246 1.00 0.00 O ATOM 301 CB SER A 24 9.933 0.514 -5.155 1.00 0.00 C ATOM 302 OG SER A 24 10.057 -0.677 -5.915 1.00 0.00 O ATOM 0 H SER A 24 7.999 1.420 -6.605 1.00 0.00 H new ATOM 0 HA SER A 24 8.168 -0.153 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.253 1.366 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.594 0.467 -4.289 1.00 0.00 H new ATOM 0 HG SER A 24 10.988 -0.787 -6.201 1.00 0.00 H new ATOM 308 N ARG A 25 8.473 1.703 -2.472 1.00 0.00 N ATOM 309 CA ARG A 25 8.405 2.780 -1.493 1.00 0.00 C ATOM 310 C ARG A 25 9.087 4.039 -2.022 1.00 0.00 C ATOM 311 O ARG A 25 8.606 5.151 -1.812 1.00 0.00 O ATOM 312 CB ARG A 25 9.060 2.347 -0.181 1.00 0.00 C ATOM 313 CG ARG A 25 8.457 3.008 1.049 1.00 0.00 C ATOM 314 CD ARG A 25 9.486 3.169 2.157 1.00 0.00 C ATOM 315 NE ARG A 25 9.763 1.906 2.834 1.00 0.00 N ATOM 316 CZ ARG A 25 10.470 1.813 3.956 1.00 0.00 C ATOM 317 NH1 ARG A 25 10.967 2.904 4.521 1.00 0.00 N ATOM 318 NH2 ARG A 25 10.678 0.628 4.514 1.00 0.00 N ATOM 0 H ARG A 25 8.571 0.772 -2.068 1.00 0.00 H new ATOM 0 HA ARG A 25 7.354 3.005 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.973 1.265 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.124 2.579 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.056 3.985 0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.621 2.410 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.411 3.566 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.126 3.898 2.883 1.00 0.00 H new ATOM 0 HE ARG A 25 9.394 1.048 2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.807 3.817 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.509 2.831 5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.295 -0.213 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.221 0.558 5.375 1.00 0.00 H new ATOM 332 N GLU A 26 10.210 3.853 -2.708 1.00 0.00 N ATOM 333 CA GLU A 26 10.959 4.974 -3.266 1.00 0.00 C ATOM 334 C GLU A 26 10.221 5.582 -4.456 1.00 0.00 C ATOM 335 O GLU A 26 10.074 6.801 -4.552 1.00 0.00 O ATOM 336 CB GLU A 26 12.356 4.521 -3.695 1.00 0.00 C ATOM 337 CG GLU A 26 13.007 3.554 -2.721 1.00 0.00 C ATOM 338 CD GLU A 26 14.520 3.660 -2.719 1.00 0.00 C ATOM 339 OE1 GLU A 26 15.136 3.375 -3.768 1.00 0.00 O ATOM 340 OE2 GLU A 26 15.088 4.027 -1.670 1.00 0.00 O ATOM 0 H GLU A 26 10.621 2.938 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 26 11.055 5.735 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.291 4.048 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.995 5.397 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.631 3.748 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.718 2.535 -2.978 1.00 0.00 H new ATOM 347 N ASP A 27 9.760 4.724 -5.359 1.00 0.00 N ATOM 348 CA ASP A 27 9.037 5.175 -6.543 1.00 0.00 C ATOM 349 C ASP A 27 7.940 6.166 -6.165 1.00 0.00 C ATOM 350 O ASP A 27 7.841 7.248 -6.744 1.00 0.00 O ATOM 351 CB ASP A 27 8.432 3.982 -7.282 1.00 0.00 C ATOM 352 CG ASP A 27 9.445 3.264 -8.151 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.648 3.299 -7.815 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.037 2.666 -9.168 1.00 0.00 O ATOM 0 H ASP A 27 9.874 3.712 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 27 9.745 5.678 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.018 3.281 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.604 4.325 -7.902 1.00 0.00 H new ATOM 359 N ALA A 28 7.118 5.787 -5.192 1.00 0.00 N ATOM 360 CA ALA A 28 6.029 6.643 -4.737 1.00 0.00 C ATOM 361 C ALA A 28 6.551 8.001 -4.281 1.00 0.00 C ATOM 362 O ALA A 28 6.212 9.031 -4.861 1.00 0.00 O ATOM 363 CB ALA A 28 5.262 5.965 -3.611 1.00 0.00 C ATOM 0 H ALA A 28 7.185 4.894 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 28 5.353 6.807 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.452 6.615 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.848 5.022 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.936 5.772 -2.776 1.00 0.00 H new ATOM 369 N GLU A 29 7.376 7.994 -3.239 1.00 0.00 N ATOM 370 CA GLU A 29 7.943 9.227 -2.705 1.00 0.00 C ATOM 371 C GLU A 29 8.562 10.067 -3.819 1.00 0.00 C ATOM 372 O GLU A 29 8.562 11.295 -3.757 1.00 0.00 O ATOM 373 CB GLU A 29 8.997 8.911 -1.643 1.00 0.00 C ATOM 374 CG GLU A 29 8.408 8.549 -0.290 1.00 0.00 C ATOM 375 CD GLU A 29 9.395 8.741 0.846 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.613 8.776 0.575 1.00 0.00 O ATOM 377 OE2 GLU A 29 8.947 8.855 2.006 1.00 0.00 O ATOM 0 H GLU A 29 7.667 7.149 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 29 7.137 9.800 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.617 8.085 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.652 9.774 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.525 9.161 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.078 7.510 -0.308 1.00 0.00 H new ATOM 384 N ASN A 30 9.090 9.394 -4.836 1.00 0.00 N ATOM 385 CA ASN A 30 9.714 10.078 -5.963 1.00 0.00 C ATOM 386 C ASN A 30 8.659 10.589 -6.941 1.00 0.00 C ATOM 387 O ASN A 30 8.885 11.561 -7.663 1.00 0.00 O ATOM 388 CB ASN A 30 10.681 9.137 -6.685 1.00 0.00 C ATOM 389 CG ASN A 30 12.084 9.201 -6.113 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.352 9.955 -5.177 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.988 8.407 -6.675 1.00 0.00 N ATOM 0 H ASN A 30 9.098 8.376 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 30 10.269 10.932 -5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.309 8.115 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.711 9.394 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.949 8.406 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.721 7.798 -7.449 1.00 0.00 H new ATOM 398 N LEU A 31 7.507 9.928 -6.957 1.00 0.00 N ATOM 399 CA LEU A 31 6.417 10.316 -7.845 1.00 0.00 C ATOM 400 C LEU A 31 5.736 11.588 -7.350 1.00 0.00 C ATOM 401 O LEU A 31 5.155 12.340 -8.134 1.00 0.00 O ATOM 402 CB LEU A 31 5.392 9.184 -7.951 1.00 0.00 C ATOM 403 CG LEU A 31 5.628 8.169 -9.070 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.052 6.813 -8.690 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.020 8.661 -10.375 1.00 0.00 C ATOM 0 H LEU A 31 7.304 9.122 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 31 6.838 10.512 -8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.371 8.650 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.405 9.626 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 31 6.703 8.058 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.229 6.103 -9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.534 6.455 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.980 6.908 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.198 7.925 -11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.947 8.802 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.479 9.609 -10.656 1.00 0.00 H new ATOM 417 N LEU A 32 5.813 11.824 -6.045 1.00 0.00 N ATOM 418 CA LEU A 32 5.207 13.007 -5.444 1.00 0.00 C ATOM 419 C LEU A 32 6.241 14.113 -5.257 1.00 0.00 C ATOM 420 O LEU A 32 5.907 15.297 -5.283 1.00 0.00 O ATOM 421 CB LEU A 32 4.574 12.651 -4.097 1.00 0.00 C ATOM 422 CG LEU A 32 3.550 11.517 -4.117 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.265 11.032 -2.703 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.265 11.969 -4.796 1.00 0.00 C ATOM 0 H LEU A 32 6.289 11.212 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 32 4.432 13.371 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.371 12.382 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.091 13.543 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 32 3.966 10.687 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.534 10.224 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.187 10.668 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.869 11.856 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.548 11.148 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.845 12.815 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.481 12.268 -5.822 1.00 0.00 H new ATOM 436 N GLU A 33 7.496 13.717 -5.071 1.00 0.00 N ATOM 437 CA GLU A 33 8.579 14.676 -4.882 1.00 0.00 C ATOM 438 C GLU A 33 8.558 15.743 -5.974 1.00 0.00 C ATOM 439 O GLU A 33 8.646 16.937 -5.690 1.00 0.00 O ATOM 440 CB GLU A 33 9.930 13.960 -4.880 1.00 0.00 C ATOM 441 CG GLU A 33 10.580 13.881 -6.251 1.00 0.00 C ATOM 442 CD GLU A 33 11.919 13.172 -6.223 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.303 12.668 -5.146 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.586 13.120 -7.278 1.00 0.00 O ATOM 0 H GLU A 33 7.788 12.740 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 33 8.433 15.164 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.604 14.477 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.796 12.950 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.912 13.359 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.715 14.889 -6.643 1.00 0.00 H new ATOM 451 N SER A 34 8.439 15.302 -7.221 1.00 0.00 N ATOM 452 CA SER A 34 8.411 16.218 -8.356 1.00 0.00 C ATOM 453 C SER A 34 6.991 16.706 -8.624 1.00 0.00 C ATOM 454 O SER A 34 6.696 17.228 -9.699 1.00 0.00 O ATOM 455 CB SER A 34 8.972 15.533 -9.604 1.00 0.00 C ATOM 456 OG SER A 34 9.568 16.475 -10.478 1.00 0.00 O ATOM 0 H SER A 34 8.360 14.317 -7.472 1.00 0.00 H new ATOM 0 HA SER A 34 9.033 17.080 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.710 14.786 -9.312 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.172 15.005 -10.124 1.00 0.00 H new ATOM 0 HG SER A 34 9.920 16.012 -11.267 1.00 0.00 H new ATOM 462 N GLN A 35 6.116 16.533 -7.640 1.00 0.00 N ATOM 463 CA GLN A 35 4.727 16.955 -7.768 1.00 0.00 C ATOM 464 C GLN A 35 4.387 18.033 -6.745 1.00 0.00 C ATOM 465 O GLN A 35 4.997 18.125 -5.679 1.00 0.00 O ATOM 466 CB GLN A 35 3.789 15.759 -7.597 1.00 0.00 C ATOM 467 CG GLN A 35 3.960 14.693 -8.667 1.00 0.00 C ATOM 468 CD GLN A 35 3.464 15.145 -10.026 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.468 15.862 -10.128 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.155 14.727 -11.079 1.00 0.00 N ATOM 0 H GLN A 35 6.345 16.103 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 35 4.593 17.373 -8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.961 15.310 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.758 16.112 -7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.014 14.423 -8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.421 13.794 -8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.974 14.134 -10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.867 14.999 -12.019 1.00 0.00 H new ATOM 479 N PRO A 36 3.392 18.870 -7.072 1.00 0.00 N ATOM 480 CA PRO A 36 2.949 19.957 -6.194 1.00 0.00 C ATOM 481 C PRO A 36 2.237 19.441 -4.949 1.00 0.00 C ATOM 482 O PRO A 36 1.596 18.390 -4.977 1.00 0.00 O ATOM 483 CB PRO A 36 1.981 20.752 -7.073 1.00 0.00 C ATOM 484 CG PRO A 36 1.481 19.766 -8.073 1.00 0.00 C ATOM 485 CD PRO A 36 2.621 18.819 -8.326 1.00 0.00 C ATOM 0 HA PRO A 36 3.786 20.546 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.163 21.169 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.483 21.589 -7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.608 19.234 -7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.176 20.264 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.266 17.811 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.222 19.132 -9.180 1.00 0.00 H new ATOM 493 N LEU A 37 2.352 20.187 -3.855 1.00 0.00 N ATOM 494 CA LEU A 37 1.718 19.806 -2.598 1.00 0.00 C ATOM 495 C LEU A 37 0.270 19.382 -2.825 1.00 0.00 C ATOM 496 O LEU A 37 -0.485 20.061 -3.519 1.00 0.00 O ATOM 497 CB LEU A 37 1.770 20.968 -1.604 1.00 0.00 C ATOM 498 CG LEU A 37 1.844 20.583 -0.127 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.563 19.887 0.308 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.051 19.695 0.135 1.00 0.00 C ATOM 0 H LEU A 37 2.879 21.059 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 37 2.266 18.959 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.636 21.585 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.886 21.588 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 37 1.956 21.495 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.634 19.620 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.284 20.557 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.420 18.984 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.086 19.432 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.971 18.787 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.962 20.229 -0.136 1.00 0.00 H new ATOM 512 N GLY A 38 -0.110 18.254 -2.232 1.00 0.00 N ATOM 513 CA GLY A 38 -1.467 17.759 -2.380 1.00 0.00 C ATOM 514 C GLY A 38 -1.541 16.523 -3.254 1.00 0.00 C ATOM 515 O GLY A 38 -2.412 15.674 -3.066 1.00 0.00 O ATOM 0 H GLY A 38 0.497 17.674 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.876 17.529 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.091 18.542 -2.810 1.00 0.00 H new ATOM 519 N SER A 39 -0.627 16.422 -4.213 1.00 0.00 N ATOM 520 CA SER A 39 -0.596 15.282 -5.123 1.00 0.00 C ATOM 521 C SER A 39 -0.658 13.969 -4.350 1.00 0.00 C ATOM 522 O SER A 39 0.233 13.658 -3.559 1.00 0.00 O ATOM 523 CB SER A 39 0.670 15.323 -5.981 1.00 0.00 C ATOM 524 OG SER A 39 0.878 16.617 -6.522 1.00 0.00 O ATOM 0 H SER A 39 0.102 17.115 -4.381 1.00 0.00 H new ATOM 0 HA SER A 39 -1.469 15.342 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.531 15.035 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.589 14.596 -6.789 1.00 0.00 H new ATOM 0 HG SER A 39 1.459 17.132 -5.924 1.00 0.00 H new ATOM 530 N PHE A 40 -1.716 13.201 -4.585 1.00 0.00 N ATOM 531 CA PHE A 40 -1.897 11.920 -3.912 1.00 0.00 C ATOM 532 C PHE A 40 -1.693 10.761 -4.883 1.00 0.00 C ATOM 533 O PHE A 40 -1.634 10.957 -6.098 1.00 0.00 O ATOM 534 CB PHE A 40 -3.292 11.840 -3.288 1.00 0.00 C ATOM 535 CG PHE A 40 -4.390 11.657 -4.299 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.755 10.389 -4.723 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.055 12.752 -4.824 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.764 10.218 -5.651 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.065 12.587 -5.752 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.419 11.319 -6.167 1.00 0.00 C ATOM 0 H PHE A 40 -2.462 13.443 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.149 11.844 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.318 11.011 -2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.480 12.751 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.245 9.525 -4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.781 13.747 -4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.040 9.225 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.577 13.449 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.207 11.188 -6.894 1.00 0.00 H new ATOM 550 N LEU A 41 -1.585 9.554 -4.339 1.00 0.00 N ATOM 551 CA LEU A 41 -1.388 8.362 -5.156 1.00 0.00 C ATOM 552 C LEU A 41 -1.552 7.095 -4.321 1.00 0.00 C ATOM 553 O LEU A 41 -1.452 7.132 -3.094 1.00 0.00 O ATOM 554 CB LEU A 41 -0.001 8.385 -5.800 1.00 0.00 C ATOM 555 CG LEU A 41 1.172 8.039 -4.881 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.054 8.786 -3.561 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.237 6.537 -4.642 1.00 0.00 C ATOM 0 H LEU A 41 -1.631 9.375 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.146 8.360 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.001 7.686 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.169 9.379 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 41 2.096 8.349 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.897 8.528 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.057 9.860 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.123 8.507 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.077 6.309 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.311 6.203 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.370 6.023 -5.594 1.00 0.00 H new ATOM 569 N ILE A 42 -1.803 5.978 -4.995 1.00 0.00 N ATOM 570 CA ILE A 42 -1.978 4.701 -4.314 1.00 0.00 C ATOM 571 C ILE A 42 -1.175 3.599 -4.999 1.00 0.00 C ATOM 572 O ILE A 42 -0.979 3.623 -6.214 1.00 0.00 O ATOM 573 CB ILE A 42 -3.461 4.286 -4.266 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.301 5.391 -3.623 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.621 2.980 -3.504 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.770 5.046 -3.514 1.00 0.00 C ATOM 0 H ILE A 42 -1.890 5.931 -6.010 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.614 4.834 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.814 4.134 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.910 5.601 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.193 6.305 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.674 2.700 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.049 2.196 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.255 3.106 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.305 5.874 -3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.176 4.865 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.889 4.150 -2.905 1.00 0.00 H new ATOM 588 N ARG A 43 -0.716 2.633 -4.212 1.00 0.00 N ATOM 589 CA ARG A 43 0.065 1.521 -4.741 1.00 0.00 C ATOM 590 C ARG A 43 -0.309 0.214 -4.047 1.00 0.00 C ATOM 591 O ARG A 43 -0.440 0.164 -2.824 1.00 0.00 O ATOM 592 CB ARG A 43 1.560 1.792 -4.570 1.00 0.00 C ATOM 593 CG ARG A 43 1.976 2.017 -3.125 1.00 0.00 C ATOM 594 CD ARG A 43 1.896 3.487 -2.745 1.00 0.00 C ATOM 595 NE ARG A 43 2.541 3.757 -1.463 1.00 0.00 N ATOM 596 CZ ARG A 43 3.849 3.651 -1.262 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.649 3.281 -2.253 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.361 3.913 -0.066 1.00 0.00 N ATOM 0 H ARG A 43 -0.871 2.597 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.160 1.426 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.122 0.950 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.832 2.669 -5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.333 1.434 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.994 1.657 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.368 4.088 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.851 3.792 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 43 1.954 4.043 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.260 3.077 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.653 3.201 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.749 4.196 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.366 3.831 0.088 1.00 0.00 H new ATOM 612 N VAL A 44 -0.480 -0.841 -4.836 1.00 0.00 N ATOM 613 CA VAL A 44 -0.837 -2.149 -4.298 1.00 0.00 C ATOM 614 C VAL A 44 0.096 -2.549 -3.162 1.00 0.00 C ATOM 615 O VAL A 44 1.312 -2.618 -3.338 1.00 0.00 O ATOM 616 CB VAL A 44 -0.795 -3.235 -5.389 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.050 -4.608 -4.786 1.00 0.00 C ATOM 618 CG2 VAL A 44 -1.805 -2.929 -6.485 1.00 0.00 C ATOM 0 H VAL A 44 -0.377 -0.816 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.855 -2.067 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 44 0.200 -3.239 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.016 -5.362 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.285 -4.826 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.032 -4.621 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.761 -3.707 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.807 -2.896 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.571 -1.965 -6.936 1.00 0.00 H new ATOM 628 N SER A 45 -0.482 -2.813 -1.993 1.00 0.00 N ATOM 629 CA SER A 45 0.298 -3.203 -0.825 1.00 0.00 C ATOM 630 C SER A 45 0.479 -4.717 -0.774 1.00 0.00 C ATOM 631 O SER A 45 -0.496 -5.470 -0.780 1.00 0.00 O ATOM 632 CB SER A 45 -0.382 -2.716 0.455 1.00 0.00 C ATOM 633 OG SER A 45 0.537 -2.664 1.533 1.00 0.00 O ATOM 0 H SER A 45 -1.488 -2.764 -1.831 1.00 0.00 H new ATOM 0 HA SER A 45 1.281 -2.739 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.810 -1.727 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.207 -3.382 0.708 1.00 0.00 H new ATOM 0 HG SER A 45 0.686 -1.730 1.791 1.00 0.00 H new ATOM 639 N HIS A 46 1.732 -5.156 -0.724 1.00 0.00 N ATOM 640 CA HIS A 46 2.042 -6.581 -0.671 1.00 0.00 C ATOM 641 C HIS A 46 2.162 -7.057 0.774 1.00 0.00 C ATOM 642 O HIS A 46 1.604 -8.089 1.146 1.00 0.00 O ATOM 643 CB HIS A 46 3.339 -6.871 -1.425 1.00 0.00 C ATOM 644 CG HIS A 46 3.280 -6.509 -2.877 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.011 -7.166 -3.846 1.00 0.00 N ATOM 646 CD2 HIS A 46 2.573 -5.554 -3.524 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.754 -6.629 -5.026 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.885 -5.648 -4.858 1.00 0.00 N ATOM 0 H HIS A 46 2.550 -4.546 -0.719 1.00 0.00 H new ATOM 0 HA HIS A 46 1.225 -7.123 -1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.154 -6.321 -0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.574 -7.931 -1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.890 -4.848 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.182 -6.939 -5.968 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.507 -5.057 -5.599 1.00 0.00 H new ATOM 656 N SER A 47 2.895 -6.299 1.583 1.00 0.00 N ATOM 657 CA SER A 47 3.093 -6.645 2.986 1.00 0.00 C ATOM 658 C SER A 47 1.783 -7.103 3.622 1.00 0.00 C ATOM 659 O SER A 47 1.664 -8.241 4.077 1.00 0.00 O ATOM 660 CB SER A 47 3.656 -5.449 3.754 1.00 0.00 C ATOM 661 OG SER A 47 4.850 -4.975 3.157 1.00 0.00 O ATOM 0 H SER A 47 3.362 -5.441 1.291 1.00 0.00 H new ATOM 0 HA SER A 47 3.807 -7.467 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.916 -4.649 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.852 -5.736 4.787 1.00 0.00 H new ATOM 0 HG SER A 47 5.189 -4.209 3.666 1.00 0.00 H new ATOM 667 N HIS A 48 0.802 -6.207 3.650 1.00 0.00 N ATOM 668 CA HIS A 48 -0.500 -6.516 4.229 1.00 0.00 C ATOM 669 C HIS A 48 -1.610 -6.347 3.196 1.00 0.00 C ATOM 670 O HIS A 48 -1.736 -5.293 2.574 1.00 0.00 O ATOM 671 CB HIS A 48 -0.771 -5.620 5.437 1.00 0.00 C ATOM 672 CG HIS A 48 -1.227 -4.242 5.070 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.359 -3.187 4.882 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.469 -3.748 4.853 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.048 -2.103 4.567 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.331 -2.418 4.542 1.00 0.00 N ATOM 0 H HIS A 48 0.884 -5.261 3.278 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.486 -7.556 4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.529 -6.089 6.064 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.137 -5.546 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.396 -4.298 4.913 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.633 -1.127 4.365 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.095 -1.777 4.327 1.00 0.00 H new ATOM 684 N VAL A 49 -2.410 -7.393 3.017 1.00 0.00 N ATOM 685 CA VAL A 49 -3.509 -7.359 2.060 1.00 0.00 C ATOM 686 C VAL A 49 -4.238 -6.022 2.107 1.00 0.00 C ATOM 687 O VAL A 49 -4.563 -5.516 3.180 1.00 0.00 O ATOM 688 CB VAL A 49 -4.519 -8.492 2.324 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.010 -8.444 3.763 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.684 -8.404 1.350 1.00 0.00 C ATOM 0 H VAL A 49 -2.318 -8.274 3.522 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.071 -7.496 1.071 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.017 -9.447 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.723 -9.251 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.164 -8.560 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.496 -7.486 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.388 -9.212 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.188 -7.445 1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.312 -8.492 0.329 1.00 0.00 H new ATOM 700 N GLY A 50 -4.495 -5.452 0.933 1.00 0.00 N ATOM 701 CA GLY A 50 -5.184 -4.177 0.862 1.00 0.00 C ATOM 702 C GLY A 50 -4.476 -3.184 -0.040 1.00 0.00 C ATOM 703 O GLY A 50 -4.150 -3.497 -1.184 1.00 0.00 O ATOM 0 H GLY A 50 -4.238 -5.851 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.199 -4.336 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.268 -3.757 1.864 1.00 0.00 H new ATOM 707 N TYR A 51 -4.240 -1.983 0.477 1.00 0.00 N ATOM 708 CA TYR A 51 -3.571 -0.940 -0.289 1.00 0.00 C ATOM 709 C TYR A 51 -2.883 0.060 0.635 1.00 0.00 C ATOM 710 O TYR A 51 -2.938 -0.067 1.859 1.00 0.00 O ATOM 711 CB TYR A 51 -4.574 -0.214 -1.188 1.00 0.00 C ATOM 712 CG TYR A 51 -5.179 -1.098 -2.256 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.285 -1.894 -1.982 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.646 -1.136 -3.538 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.842 -2.702 -2.954 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.197 -1.941 -4.516 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.294 -2.723 -4.219 1.00 0.00 C ATOM 718 OH TYR A 51 -6.845 -3.526 -5.191 1.00 0.00 O ATOM 0 H TYR A 51 -4.502 -1.708 1.424 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.812 -1.414 -0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.374 0.195 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.077 0.630 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.716 -1.881 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.787 -0.526 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.702 -3.314 -2.724 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.771 -1.958 -5.508 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.341 -3.423 -6.025 1.00 0.00 H new ATOM 728 N THR A 52 -2.237 1.059 0.041 1.00 0.00 N ATOM 729 CA THR A 52 -1.538 2.080 0.810 1.00 0.00 C ATOM 730 C THR A 52 -1.722 3.459 0.186 1.00 0.00 C ATOM 731 O THR A 52 -1.137 3.764 -0.854 1.00 0.00 O ATOM 732 CB THR A 52 -0.032 1.774 0.914 1.00 0.00 C ATOM 733 OG1 THR A 52 0.164 0.435 1.385 1.00 0.00 O ATOM 734 CG2 THR A 52 0.655 2.752 1.854 1.00 0.00 C ATOM 0 H THR A 52 -2.184 1.182 -0.970 1.00 0.00 H new ATOM 0 HA THR A 52 -1.972 2.074 1.810 1.00 0.00 H new ATOM 0 HB THR A 52 0.407 1.878 -0.078 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.124 0.247 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.718 2.516 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.529 3.767 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.212 2.675 2.847 1.00 0.00 H new ATOM 742 N LEU A 53 -2.537 4.290 0.827 1.00 0.00 N ATOM 743 CA LEU A 53 -2.798 5.638 0.334 1.00 0.00 C ATOM 744 C LEU A 53 -1.702 6.602 0.778 1.00 0.00 C ATOM 745 O LEU A 53 -1.369 6.676 1.961 1.00 0.00 O ATOM 746 CB LEU A 53 -4.158 6.130 0.831 1.00 0.00 C ATOM 747 CG LEU A 53 -4.492 7.592 0.535 1.00 0.00 C ATOM 748 CD1 LEU A 53 -3.620 8.519 1.368 1.00 0.00 C ATOM 749 CD2 LEU A 53 -4.323 7.888 -0.949 1.00 0.00 C ATOM 0 H LEU A 53 -3.028 4.054 1.689 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.807 5.604 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.933 5.504 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.205 5.979 1.909 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.533 7.768 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.872 9.555 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.791 8.325 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.571 8.342 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.565 8.933 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.292 7.694 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.991 7.249 -1.526 1.00 0.00 H new ATOM 761 N SER A 54 -1.145 7.339 -0.178 1.00 0.00 N ATOM 762 CA SER A 54 -0.087 8.296 0.115 1.00 0.00 C ATOM 763 C SER A 54 -0.278 9.580 -0.687 1.00 0.00 C ATOM 764 O SER A 54 -0.994 9.600 -1.688 1.00 0.00 O ATOM 765 CB SER A 54 1.282 7.687 -0.197 1.00 0.00 C ATOM 766 OG SER A 54 1.501 6.511 0.561 1.00 0.00 O ATOM 0 H SER A 54 -1.410 7.291 -1.162 1.00 0.00 H new ATOM 0 HA SER A 54 -0.136 8.540 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.347 7.456 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.065 8.414 0.019 1.00 0.00 H new ATOM 0 HG SER A 54 2.459 6.412 0.742 1.00 0.00 H new ATOM 772 N TYR A 55 0.365 10.652 -0.238 1.00 0.00 N ATOM 773 CA TYR A 55 0.265 11.942 -0.911 1.00 0.00 C ATOM 774 C TYR A 55 1.245 12.947 -0.312 1.00 0.00 C ATOM 775 O TYR A 55 1.672 12.809 0.834 1.00 0.00 O ATOM 776 CB TYR A 55 -1.163 12.483 -0.811 1.00 0.00 C ATOM 777 CG TYR A 55 -1.614 12.741 0.609 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.228 13.893 1.284 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.427 11.832 1.276 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.638 14.131 2.581 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.843 12.064 2.573 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.445 13.214 3.222 1.00 0.00 C ATOM 783 OH TYR A 55 -2.856 13.450 4.513 1.00 0.00 O ATOM 0 H TYR A 55 0.961 10.653 0.590 1.00 0.00 H new ATOM 0 HA TYR A 55 0.519 11.796 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.232 13.410 -1.380 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.845 11.772 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.597 14.614 0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.739 10.929 0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.328 15.031 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.477 11.348 3.076 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.638 12.676 5.073 1.00 0.00 H new ATOM 793 N LYS A 56 1.597 13.958 -1.098 1.00 0.00 N ATOM 794 CA LYS A 56 2.525 14.990 -0.648 1.00 0.00 C ATOM 795 C LYS A 56 1.884 15.871 0.419 1.00 0.00 C ATOM 796 O LYS A 56 0.775 16.373 0.238 1.00 0.00 O ATOM 797 CB LYS A 56 2.977 15.850 -1.831 1.00 0.00 C ATOM 798 CG LYS A 56 4.308 16.544 -1.604 1.00 0.00 C ATOM 799 CD LYS A 56 5.472 15.687 -2.074 1.00 0.00 C ATOM 800 CE LYS A 56 6.809 16.334 -1.748 1.00 0.00 C ATOM 801 NZ LYS A 56 7.216 17.321 -2.786 1.00 0.00 N ATOM 0 H LYS A 56 1.254 14.086 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 56 3.394 14.497 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.051 15.222 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.215 16.602 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.318 17.496 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.426 16.769 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.417 14.706 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.397 15.528 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.745 16.831 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.574 15.562 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.200 17.613 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.138 16.887 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.595 18.153 -2.736 1.00 0.00 H new ATOM 815 N ALA A 57 2.589 16.054 1.530 1.00 0.00 N ATOM 816 CA ALA A 57 2.090 16.879 2.624 1.00 0.00 C ATOM 817 C ALA A 57 3.050 18.022 2.934 1.00 0.00 C ATOM 818 O ALA A 57 4.267 17.870 2.820 1.00 0.00 O ATOM 819 CB ALA A 57 1.863 16.026 3.865 1.00 0.00 C ATOM 0 H ALA A 57 3.507 15.642 1.697 1.00 0.00 H new ATOM 0 HA ALA A 57 1.139 17.313 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.491 16.654 4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.132 15.248 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.804 15.565 4.167 1.00 0.00 H new ATOM 825 N GLN A 58 2.496 19.165 3.324 1.00 0.00 N ATOM 826 CA GLN A 58 3.304 20.333 3.648 1.00 0.00 C ATOM 827 C GLN A 58 4.619 19.922 4.302 1.00 0.00 C ATOM 828 O GLN A 58 5.693 20.353 3.884 1.00 0.00 O ATOM 829 CB GLN A 58 2.532 21.273 4.576 1.00 0.00 C ATOM 830 CG GLN A 58 1.708 22.315 3.838 1.00 0.00 C ATOM 831 CD GLN A 58 2.499 23.570 3.524 1.00 0.00 C ATOM 832 OE1 GLN A 58 2.538 24.509 4.320 1.00 0.00 O ATOM 833 NE2 GLN A 58 3.136 23.593 2.359 1.00 0.00 N ATOM 0 H GLN A 58 1.491 19.307 3.423 1.00 0.00 H new ATOM 0 HA GLN A 58 3.529 20.855 2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.871 20.682 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.237 21.780 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.333 21.885 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.839 22.579 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.077 22.793 1.729 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.685 24.411 2.094 1.00 0.00 H new ATOM 842 N SER A 59 4.526 19.086 5.331 1.00 0.00 N ATOM 843 CA SER A 59 5.709 18.618 6.046 1.00 0.00 C ATOM 844 C SER A 59 6.523 17.660 5.181 1.00 0.00 C ATOM 845 O SER A 59 7.689 17.917 4.881 1.00 0.00 O ATOM 846 CB SER A 59 5.303 17.927 7.350 1.00 0.00 C ATOM 847 OG SER A 59 6.439 17.617 8.137 1.00 0.00 O ATOM 0 H SER A 59 3.644 18.719 5.689 1.00 0.00 H new ATOM 0 HA SER A 59 6.328 19.484 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.631 18.574 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.752 17.014 7.125 1.00 0.00 H new ATOM 0 HG SER A 59 6.153 17.178 8.965 1.00 0.00 H new ATOM 853 N SER A 60 5.899 16.556 4.785 1.00 0.00 N ATOM 854 CA SER A 60 6.566 15.556 3.959 1.00 0.00 C ATOM 855 C SER A 60 5.589 14.464 3.532 1.00 0.00 C ATOM 856 O SER A 60 4.466 14.390 4.034 1.00 0.00 O ATOM 857 CB SER A 60 7.740 14.936 4.719 1.00 0.00 C ATOM 858 OG SER A 60 8.931 15.676 4.509 1.00 0.00 O ATOM 0 H SER A 60 4.933 16.331 5.022 1.00 0.00 H new ATOM 0 HA SER A 60 6.943 16.053 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.511 14.903 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.886 13.906 4.393 1.00 0.00 H new ATOM 0 HG SER A 60 8.805 16.595 4.825 1.00 0.00 H new ATOM 864 N CYS A 61 6.023 13.622 2.602 1.00 0.00 N ATOM 865 CA CYS A 61 5.187 12.534 2.106 1.00 0.00 C ATOM 866 C CYS A 61 4.568 11.754 3.260 1.00 0.00 C ATOM 867 O CYS A 61 5.237 11.454 4.249 1.00 0.00 O ATOM 868 CB CYS A 61 6.009 11.594 1.221 1.00 0.00 C ATOM 869 SG CYS A 61 5.026 10.352 0.351 1.00 0.00 S ATOM 0 H CYS A 61 6.948 13.671 2.176 1.00 0.00 H new ATOM 0 HA CYS A 61 4.382 12.969 1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.556 12.188 0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.751 11.087 1.838 1.00 0.00 H new ATOM 0 HG CYS A 61 5.419 9.164 0.702 1.00 0.00 H new ATOM 875 N CYS A 62 3.287 11.430 3.129 1.00 0.00 N ATOM 876 CA CYS A 62 2.575 10.687 4.162 1.00 0.00 C ATOM 877 C CYS A 62 2.214 9.287 3.674 1.00 0.00 C ATOM 878 O CYS A 62 1.932 9.116 2.489 1.00 0.00 O ATOM 879 CB CYS A 62 1.310 11.437 4.579 1.00 0.00 C ATOM 880 SG CYS A 62 1.625 13.022 5.390 1.00 0.00 S ATOM 0 H CYS A 62 2.719 11.671 2.316 1.00 0.00 H new ATOM 0 HA CYS A 62 3.233 10.592 5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.695 11.609 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.731 10.805 5.253 1.00 0.00 H new ATOM 0 HG CYS A 62 2.712 13.548 4.907 1.00 0.00 H new ATOM 886 N HIS A 63 2.232 8.328 4.587 1.00 0.00 N ATOM 887 CA HIS A 63 1.908 6.955 4.237 1.00 0.00 C ATOM 888 C HIS A 63 0.791 6.443 5.149 1.00 0.00 C ATOM 889 O HIS A 63 0.931 6.360 6.369 1.00 0.00 O ATOM 890 CB HIS A 63 3.156 6.073 4.278 1.00 0.00 C ATOM 891 CG HIS A 63 4.124 6.327 3.147 1.00 0.00 C ATOM 892 ND1 HIS A 63 3.836 6.018 1.828 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.378 6.865 3.150 1.00 0.00 C ATOM 894 CE1 HIS A 63 4.876 6.358 1.082 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.831 6.881 1.902 1.00 0.00 N ATOM 0 H HIS A 63 2.466 8.474 5.569 1.00 0.00 H new ATOM 0 HA HIS A 63 1.541 6.916 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.670 6.232 5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.850 5.027 4.253 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.912 7.218 4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.954 6.241 0.011 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.743 7.228 1.606 1.00 0.00 H new ATOM 903 N PHE A 64 -0.331 6.099 4.525 1.00 0.00 N ATOM 904 CA PHE A 64 -1.488 5.593 5.255 1.00 0.00 C ATOM 905 C PHE A 64 -1.868 4.197 4.771 1.00 0.00 C ATOM 906 O PHE A 64 -2.134 3.989 3.588 1.00 0.00 O ATOM 907 CB PHE A 64 -2.675 6.543 5.091 1.00 0.00 C ATOM 908 CG PHE A 64 -2.333 7.982 5.352 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.808 8.776 4.346 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.537 8.540 6.604 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.491 10.101 4.583 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.223 9.864 6.847 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.698 10.645 5.835 1.00 0.00 C ATOM 0 H PHE A 64 -0.464 6.161 3.516 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.223 5.532 6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.068 6.449 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.471 6.238 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.644 8.355 3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.946 7.934 7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.082 10.709 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.388 10.288 7.827 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.450 11.679 6.023 1.00 0.00 H new ATOM 923 N MET A 65 -1.892 3.242 5.696 1.00 0.00 N ATOM 924 CA MET A 65 -2.240 1.866 5.364 1.00 0.00 C ATOM 925 C MET A 65 -3.748 1.712 5.194 1.00 0.00 C ATOM 926 O MET A 65 -4.530 2.310 5.934 1.00 0.00 O ATOM 927 CB MET A 65 -1.738 0.914 6.453 1.00 0.00 C ATOM 928 CG MET A 65 -2.553 0.973 7.734 1.00 0.00 C ATOM 929 SD MET A 65 -2.150 -0.362 8.876 1.00 0.00 S ATOM 930 CE MET A 65 -3.115 -1.703 8.185 1.00 0.00 C ATOM 0 H MET A 65 -1.675 3.396 6.681 1.00 0.00 H new ATOM 0 HA MET A 65 -1.758 1.613 4.419 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.754 -0.106 6.068 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.699 1.152 6.682 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.381 1.931 8.226 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.614 0.927 7.488 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.767 -2.116 8.954 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.720 -1.328 7.359 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.446 -2.482 7.820 1.00 0.00 H new ATOM 940 N VAL A 66 -4.150 0.909 4.215 1.00 0.00 N ATOM 941 CA VAL A 66 -5.564 0.677 3.948 1.00 0.00 C ATOM 942 C VAL A 66 -5.906 -0.806 4.052 1.00 0.00 C ATOM 943 O VAL A 66 -5.438 -1.621 3.257 1.00 0.00 O ATOM 944 CB VAL A 66 -5.963 1.188 2.552 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.443 0.945 2.297 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.624 2.664 2.407 1.00 0.00 C ATOM 0 H VAL A 66 -3.516 0.408 3.593 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.124 1.230 4.702 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.394 0.633 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.707 1.313 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.652 -0.123 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.033 1.471 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.913 3.008 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.164 3.237 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.552 2.806 2.542 1.00 0.00 H new ATOM 956 N LYS A 67 -6.729 -1.149 5.038 1.00 0.00 N ATOM 957 CA LYS A 67 -7.137 -2.533 5.246 1.00 0.00 C ATOM 958 C LYS A 67 -8.320 -2.893 4.352 1.00 0.00 C ATOM 959 O LYS A 67 -8.961 -2.015 3.771 1.00 0.00 O ATOM 960 CB LYS A 67 -7.507 -2.762 6.714 1.00 0.00 C ATOM 961 CG LYS A 67 -6.517 -2.153 7.692 1.00 0.00 C ATOM 962 CD LYS A 67 -7.090 -2.088 9.098 1.00 0.00 C ATOM 963 CE LYS A 67 -8.402 -1.320 9.130 1.00 0.00 C ATOM 964 NZ LYS A 67 -9.574 -2.214 8.918 1.00 0.00 N ATOM 0 H LYS A 67 -7.126 -0.487 5.705 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.297 -3.176 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.495 -2.342 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.576 -3.834 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.601 -2.743 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.248 -1.150 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.249 -3.099 9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.371 -1.610 9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.502 -0.812 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.390 -0.548 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.141 -1.860 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.242 -3.177 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.158 -2.230 9.778 1.00 0.00 H new ATOM 978 N LEU A 68 -8.604 -4.185 4.247 1.00 0.00 N ATOM 979 CA LEU A 68 -9.712 -4.661 3.424 1.00 0.00 C ATOM 980 C LEU A 68 -10.765 -5.358 4.278 1.00 0.00 C ATOM 981 O LEU A 68 -10.649 -6.547 4.580 1.00 0.00 O ATOM 982 CB LEU A 68 -9.198 -5.618 2.346 1.00 0.00 C ATOM 983 CG LEU A 68 -10.077 -5.762 1.103 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.607 -6.931 0.251 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.536 -5.940 1.500 1.00 0.00 C ATOM 0 H LEU A 68 -8.083 -4.923 4.721 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.173 -3.797 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.210 -5.282 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.072 -6.604 2.794 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.991 -4.850 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.244 -7.019 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.577 -6.762 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.663 -7.851 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.147 -6.041 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.640 -6.836 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.867 -5.071 2.069 1.00 0.00 H new ATOM 997 N LEU A 69 -11.794 -4.612 4.665 1.00 0.00 N ATOM 998 CA LEU A 69 -12.871 -5.158 5.483 1.00 0.00 C ATOM 999 C LEU A 69 -13.437 -6.430 4.860 1.00 0.00 C ATOM 1000 O LEU A 69 -13.245 -6.689 3.672 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.983 -4.122 5.655 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.605 -2.849 6.415 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.703 -3.180 7.594 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.926 -1.855 5.483 1.00 0.00 C ATOM 0 H LEU A 69 -11.905 -3.627 4.425 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.460 -5.407 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.343 -3.837 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.817 -4.596 6.173 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.517 -2.392 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.444 -2.263 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.224 -3.855 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.793 -3.659 7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.664 -0.955 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.022 -2.303 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.605 -1.595 4.671 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.136 -7.218 5.670 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.732 -8.462 5.197 1.00 0.00 C ATOM 1018 C ASP A 70 -15.957 -8.182 4.330 1.00 0.00 C ATOM 1019 O ASP A 70 -16.379 -9.031 3.544 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.123 -9.348 6.381 1.00 0.00 C ATOM 1021 CG ASP A 70 -16.308 -8.796 7.150 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -16.143 -7.769 7.841 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -17.401 -9.393 7.061 1.00 0.00 O ATOM 0 H ASP A 70 -14.304 -7.018 6.656 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.991 -8.984 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.362 -10.348 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.271 -9.447 7.054 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.520 -6.989 4.479 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.696 -6.597 3.710 1.00 0.00 C ATOM 1030 C ASP A 71 -17.306 -6.190 2.292 1.00 0.00 C ATOM 1031 O ASP A 71 -18.126 -5.669 1.538 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.424 -5.445 4.402 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.357 -5.924 5.498 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -19.024 -6.928 6.163 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -20.418 -5.295 5.691 1.00 0.00 O ATOM 0 H ASP A 71 -16.182 -6.276 5.125 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.365 -7.456 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.691 -4.759 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.995 -4.884 3.663 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.048 -6.432 1.936 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.572 -6.083 0.611 1.00 0.00 C ATOM 1042 C GLY A 72 -15.317 -4.596 0.460 1.00 0.00 C ATOM 1043 O GLY A 72 -15.245 -4.080 -0.656 1.00 0.00 O ATOM 0 H GLY A 72 -15.350 -6.864 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.652 -6.629 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.305 -6.400 -0.130 1.00 0.00 H new ATOM 1047 N THR A 73 -15.180 -3.902 1.586 1.00 0.00 N ATOM 1048 CA THR A 73 -14.934 -2.465 1.573 1.00 0.00 C ATOM 1049 C THR A 73 -13.538 -2.143 2.092 1.00 0.00 C ATOM 1050 O THR A 73 -12.749 -3.042 2.382 1.00 0.00 O ATOM 1051 CB THR A 73 -15.974 -1.711 2.424 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.858 -2.100 3.797 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.384 -1.991 1.929 1.00 0.00 C ATOM 0 H THR A 73 -15.235 -4.312 2.518 1.00 0.00 H new ATOM 0 HA THR A 73 -15.017 -2.138 0.537 1.00 0.00 H new ATOM 0 HB THR A 73 -15.780 -0.642 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.521 -1.615 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.101 -1.448 2.545 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.477 -1.666 0.893 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.587 -3.060 1.994 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.238 -0.853 2.207 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.936 -0.410 2.691 1.00 0.00 C ATOM 1063 C PHE A 74 -12.085 0.747 3.673 1.00 0.00 C ATOM 1064 O PHE A 74 -12.910 1.639 3.477 1.00 0.00 O ATOM 1065 CB PHE A 74 -11.049 0.014 1.518 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.980 -1.009 0.419 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -12.041 -1.181 -0.454 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.851 -1.797 0.259 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -11.980 -2.120 -1.466 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.784 -2.738 -0.751 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.850 -2.901 -1.614 1.00 0.00 C ATOM 0 H PHE A 74 -13.880 -0.096 1.971 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.466 -1.246 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.425 0.951 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.042 0.209 1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.927 -0.574 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.014 -1.674 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.815 -2.243 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.898 -3.346 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.800 -3.637 -2.403 1.00 0.00 H new ATOM 1081 N MET A 75 -11.282 0.723 4.731 1.00 0.00 N ATOM 1082 CA MET A 75 -11.324 1.770 5.745 1.00 0.00 C ATOM 1083 C MET A 75 -9.981 1.890 6.460 1.00 0.00 C ATOM 1084 O MET A 75 -9.426 0.895 6.926 1.00 0.00 O ATOM 1085 CB MET A 75 -12.432 1.483 6.761 1.00 0.00 C ATOM 1086 CG MET A 75 -12.273 2.246 8.067 1.00 0.00 C ATOM 1087 SD MET A 75 -13.846 2.537 8.896 1.00 0.00 S ATOM 1088 CE MET A 75 -13.423 3.923 9.949 1.00 0.00 C ATOM 0 H MET A 75 -10.595 -0.009 4.909 1.00 0.00 H new ATOM 0 HA MET A 75 -11.535 2.715 5.245 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.395 1.736 6.317 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.450 0.414 6.974 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.614 1.687 8.732 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.789 3.202 7.868 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.287 4.197 10.554 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.596 3.644 10.603 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.128 4.772 9.332 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.466 3.111 6.543 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.190 3.360 7.201 1.00 0.00 C ATOM 1100 C ILE A 76 -8.309 3.194 8.712 1.00 0.00 C ATOM 1101 O ILE A 76 -9.284 3.619 9.333 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.662 4.772 6.891 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.443 4.941 5.386 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.370 5.034 7.651 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.202 6.374 4.966 1.00 0.00 C ATOM 0 H ILE A 76 -9.913 3.945 6.162 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.486 2.625 6.811 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.406 5.500 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.591 4.334 5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.314 4.557 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.009 6.037 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.555 4.952 8.722 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.619 4.302 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.055 6.417 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.064 6.983 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.313 6.756 5.469 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.295 2.563 9.321 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.261 2.328 10.768 1.00 0.00 C ATOM 1119 C PRO A 77 -7.063 3.616 11.559 1.00 0.00 C ATOM 1120 O PRO A 77 -5.937 3.984 11.892 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.058 1.398 10.948 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.180 1.685 9.781 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.101 2.028 8.643 1.00 0.00 C ATOM 0 HA PRO A 77 -8.198 1.910 11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.543 1.594 11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.365 0.352 10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.502 2.511 9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.562 0.821 9.536 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.656 2.764 7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.340 1.151 8.041 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.165 4.298 11.857 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.090 5.538 12.607 1.00 0.00 C ATOM 1133 C GLY A 78 -9.181 6.517 12.221 1.00 0.00 C ATOM 1134 O GLY A 78 -9.391 7.521 12.901 1.00 0.00 O ATOM 0 H GLY A 78 -9.108 4.014 11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.163 5.319 13.672 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.117 6.000 12.442 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.875 6.225 11.125 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.948 7.089 10.649 1.00 0.00 C ATOM 1140 C GLU A 79 -12.299 6.630 11.193 1.00 0.00 C ATOM 1141 O GLU A 79 -12.374 5.701 11.998 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.980 7.104 9.120 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.725 7.684 8.490 1.00 0.00 C ATOM 1144 CD GLU A 79 -9.525 9.149 8.829 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -9.290 9.457 10.016 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.605 9.986 7.906 1.00 0.00 O ATOM 0 H GLU A 79 -9.713 5.398 10.551 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.754 8.099 11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.120 6.085 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.843 7.682 8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.858 7.115 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.780 7.570 7.407 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.364 7.287 10.746 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.712 6.947 11.186 1.00 0.00 C ATOM 1155 C LYS A 80 -15.620 6.670 9.991 1.00 0.00 C ATOM 1156 O LYS A 80 -16.835 6.539 10.140 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.296 8.082 12.032 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.522 8.347 13.311 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.396 9.343 13.084 1.00 0.00 C ATOM 1160 CE LYS A 80 -13.909 10.775 13.091 1.00 0.00 C ATOM 1161 NZ LYS A 80 -12.855 11.744 12.681 1.00 0.00 N ATOM 0 H LYS A 80 -13.320 8.058 10.079 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.653 6.043 11.793 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.319 8.994 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.328 7.841 12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.199 8.729 14.075 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.111 7.411 13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.640 9.222 13.860 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.910 9.134 12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.761 10.859 12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.266 11.028 14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.244 12.708 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.052 11.683 13.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.532 11.519 11.719 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.021 6.581 8.808 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.776 6.316 7.588 1.00 0.00 C ATOM 1177 C VAL A 81 -15.063 5.294 6.711 1.00 0.00 C ATOM 1178 O VAL A 81 -13.860 5.071 6.853 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.000 7.606 6.776 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.251 8.327 7.254 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.783 8.514 6.872 1.00 0.00 C ATOM 0 H VAL A 81 -14.016 6.688 8.668 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.742 5.915 7.894 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.142 7.336 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.393 9.236 6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.116 7.676 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.141 8.587 8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -14.959 9.420 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.608 8.778 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.910 7.995 6.477 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.811 4.676 5.803 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.249 3.679 4.900 1.00 0.00 C ATOM 1193 C ALA A 82 -15.668 3.945 3.459 1.00 0.00 C ATOM 1194 O ALA A 82 -16.354 4.927 3.172 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.675 2.281 5.327 1.00 0.00 C ATOM 0 H ALA A 82 -16.808 4.848 5.673 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.162 3.748 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.248 1.546 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.320 2.085 6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.762 2.209 5.304 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.251 3.065 2.554 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.584 3.205 1.141 1.00 0.00 C ATOM 1203 C HIS A 83 -15.551 1.852 0.438 1.00 0.00 C ATOM 1204 O HIS A 83 -14.727 0.995 0.755 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.612 4.171 0.461 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.254 5.356 1.305 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.014 6.506 1.347 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.213 5.563 2.143 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.453 7.371 2.173 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.359 6.822 2.670 1.00 0.00 N ATOM 0 H HIS A 83 -14.682 2.248 2.774 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.595 3.607 1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.701 3.633 0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.054 4.520 -0.472 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.415 4.867 2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.825 8.358 2.403 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.725 7.262 3.337 1.00 0.00 H new ATOM 1218 N THR A 84 -16.454 1.667 -0.520 1.00 0.00 N ATOM 1219 CA THR A 84 -16.530 0.417 -1.267 1.00 0.00 C ATOM 1220 C THR A 84 -15.176 0.047 -1.858 1.00 0.00 C ATOM 1221 O THR A 84 -14.789 -1.121 -1.867 1.00 0.00 O ATOM 1222 CB THR A 84 -17.568 0.503 -2.402 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.271 1.615 -3.254 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.974 0.651 -1.840 1.00 0.00 C ATOM 0 H THR A 84 -17.143 2.367 -0.797 1.00 0.00 H new ATOM 0 HA THR A 84 -16.838 -0.355 -0.562 1.00 0.00 H new ATOM 0 HB THR A 84 -17.520 -0.420 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.934 1.662 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.689 0.710 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.209 -0.211 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.033 1.560 -1.242 1.00 0.00 H new ATOM 1232 N SER A 85 -14.457 1.050 -2.353 1.00 0.00 N ATOM 1233 CA SER A 85 -13.146 0.830 -2.951 1.00 0.00 C ATOM 1234 C SER A 85 -12.319 2.112 -2.936 1.00 0.00 C ATOM 1235 O SER A 85 -12.814 3.180 -2.573 1.00 0.00 O ATOM 1236 CB SER A 85 -13.295 0.322 -4.386 1.00 0.00 C ATOM 1237 OG SER A 85 -13.633 -1.054 -4.408 1.00 0.00 O ATOM 0 H SER A 85 -14.761 2.024 -2.351 1.00 0.00 H new ATOM 0 HA SER A 85 -12.626 0.077 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.065 0.897 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.363 0.479 -4.929 1.00 0.00 H new ATOM 0 HG SER A 85 -13.983 -1.319 -3.532 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.056 1.999 -3.334 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.160 3.148 -3.367 1.00 0.00 C ATOM 1245 C LEU A 86 -10.811 4.328 -4.081 1.00 0.00 C ATOM 1246 O LEU A 86 -10.754 5.462 -3.607 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.849 2.778 -4.063 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.094 1.582 -3.481 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -6.955 1.169 -4.400 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.568 1.909 -2.091 1.00 0.00 C ATOM 0 H LEU A 86 -10.630 1.123 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.949 3.441 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.063 2.571 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.190 3.646 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.787 0.745 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.430 0.317 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.356 0.892 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.261 2.002 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.034 1.047 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.890 2.761 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.403 2.154 -1.434 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.432 4.052 -5.223 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.098 5.089 -6.001 1.00 0.00 C ATOM 1264 C ASP A 87 -13.026 5.920 -5.119 1.00 0.00 C ATOM 1265 O ASP A 87 -12.882 7.138 -5.025 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.892 4.464 -7.149 1.00 0.00 C ATOM 1267 CG ASP A 87 -13.421 3.085 -6.806 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -12.686 2.098 -7.022 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -14.568 2.993 -6.322 1.00 0.00 O ATOM 0 H ASP A 87 -11.488 3.118 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.333 5.746 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.727 5.116 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.256 4.396 -8.032 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.977 5.252 -4.475 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.927 5.927 -3.600 1.00 0.00 C ATOM 1276 C ALA A 88 -14.248 6.409 -2.322 1.00 0.00 C ATOM 1277 O ALA A 88 -14.853 7.114 -1.513 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.088 5.003 -3.267 1.00 0.00 C ATOM 0 H ALA A 88 -14.110 4.243 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.313 6.799 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.789 5.521 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.597 4.712 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.712 4.113 -2.763 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.989 6.025 -2.145 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.228 6.417 -0.963 1.00 0.00 C ATOM 1286 C LEU A 89 -11.319 7.602 -1.270 1.00 0.00 C ATOM 1287 O LEU A 89 -10.937 8.355 -0.374 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.395 5.239 -0.455 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.074 5.597 0.227 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.690 4.528 1.239 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.972 5.775 -0.806 1.00 0.00 C ATOM 0 H LEU A 89 -12.473 5.443 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.934 6.715 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.001 4.668 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.180 4.582 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.204 6.541 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.747 4.799 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.469 4.448 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.578 3.570 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.039 6.029 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.842 4.847 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.244 6.576 -1.493 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.976 7.764 -2.545 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.114 8.860 -2.971 1.00 0.00 C ATOM 1305 C VAL A 90 -10.893 10.167 -3.068 1.00 0.00 C ATOM 1306 O VAL A 90 -10.362 11.241 -2.786 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.461 8.563 -4.335 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.615 9.741 -4.790 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.626 7.294 -4.260 1.00 0.00 C ATOM 0 H VAL A 90 -11.282 7.150 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.334 8.960 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.251 8.409 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.162 9.513 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.244 10.626 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.831 9.931 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.172 7.099 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.843 7.417 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.264 6.455 -3.983 1.00 0.00 H new ATOM 1319 N THR A 91 -12.157 10.067 -3.467 1.00 0.00 N ATOM 1320 CA THR A 91 -13.011 11.242 -3.601 1.00 0.00 C ATOM 1321 C THR A 91 -13.334 11.844 -2.240 1.00 0.00 C ATOM 1322 O THR A 91 -13.274 13.061 -2.057 1.00 0.00 O ATOM 1323 CB THR A 91 -14.327 10.900 -4.324 1.00 0.00 C ATOM 1324 OG1 THR A 91 -14.052 10.456 -5.658 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.251 12.107 -4.367 1.00 0.00 C ATOM 0 H THR A 91 -12.612 9.185 -3.703 1.00 0.00 H new ATOM 0 HA THR A 91 -12.457 11.969 -4.195 1.00 0.00 H new ATOM 0 HB THR A 91 -14.823 10.103 -3.770 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.894 10.239 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.174 11.841 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.482 12.425 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.760 12.922 -4.899 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.677 10.987 -1.284 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.010 11.436 0.063 1.00 0.00 C ATOM 1335 C PHE A 92 -12.782 12.004 0.766 1.00 0.00 C ATOM 1336 O PHE A 92 -12.896 12.860 1.645 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.590 10.278 0.880 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.234 10.715 2.165 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.464 10.972 3.288 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.608 10.870 2.250 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.053 11.375 4.472 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.202 11.273 3.430 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.424 11.524 4.543 1.00 0.00 C ATOM 0 H PHE A 92 -13.732 9.977 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.757 12.225 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.327 9.750 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.794 9.568 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.391 10.856 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.222 10.673 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.442 11.573 5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.274 11.392 3.482 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.887 11.836 5.467 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.608 11.522 0.375 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.356 11.983 0.967 1.00 0.00 C ATOM 1355 C HIS A 93 -10.018 13.393 0.494 1.00 0.00 C ATOM 1356 O HIS A 93 -9.311 14.133 1.178 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.217 11.026 0.613 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.167 9.807 1.480 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.771 9.738 2.718 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.582 8.602 1.283 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.557 8.546 3.246 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.839 7.837 2.394 1.00 0.00 N ATOM 0 H HIS A 93 -11.496 10.812 -0.349 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.480 12.003 2.050 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.323 10.718 -0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.269 11.558 0.693 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.018 8.299 0.413 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.909 8.209 4.210 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -8.526 6.877 2.538 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.526 13.757 -0.678 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.275 15.078 -1.242 1.00 0.00 C ATOM 1372 C GLN A 94 -11.010 16.155 -0.453 1.00 0.00 C ATOM 1373 O GLN A 94 -10.703 17.341 -0.569 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.707 15.120 -2.709 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.629 14.651 -3.675 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.056 14.766 -5.125 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.869 13.979 -5.609 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.505 15.749 -5.828 1.00 0.00 N ATOM 0 H GLN A 94 -11.114 13.156 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.205 15.274 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.593 14.498 -2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.994 16.140 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.725 15.240 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.376 13.614 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.835 16.379 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.752 15.874 -6.810 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.983 15.734 0.349 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.763 16.665 1.157 1.00 0.00 C ATOM 1389 C GLN A 95 -12.494 16.453 2.643 1.00 0.00 C ATOM 1390 O GLN A 95 -12.585 17.385 3.441 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.255 16.497 0.867 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.589 16.470 -0.615 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.078 16.363 -0.878 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.846 17.263 -0.539 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.495 15.258 -1.485 1.00 0.00 N ATOM 0 H GLN A 95 -12.250 14.755 0.457 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.461 17.678 0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.604 15.572 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.802 17.313 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.205 17.375 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.080 15.627 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.824 14.537 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.487 15.131 -1.687 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.164 15.219 3.009 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.880 14.883 4.400 1.00 0.00 C ATOM 1406 C LYS A 96 -10.480 14.295 4.543 1.00 0.00 C ATOM 1407 O LYS A 96 -10.144 13.275 3.940 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.918 13.890 4.927 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.129 14.554 5.560 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.925 14.785 7.048 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.022 13.485 7.832 1.00 0.00 C ATOM 1412 NZ LYS A 96 -14.049 13.725 9.301 1.00 0.00 N ATOM 0 H LYS A 96 -12.087 14.435 2.362 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.931 15.800 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.250 13.255 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.445 13.239 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.322 15.506 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.009 13.930 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.949 15.241 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.673 15.489 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.923 12.948 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.174 12.847 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.116 12.815 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.178 14.215 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.872 14.313 9.542 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.643 14.950 5.361 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.267 14.509 5.604 1.00 0.00 C ATOM 1428 C PRO A 97 -8.206 13.219 6.415 1.00 0.00 C ATOM 1429 O PRO A 97 -9.214 12.531 6.582 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.657 15.668 6.397 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.818 16.326 7.058 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.977 16.172 6.112 1.00 0.00 C ATOM 0 HA PRO A 97 -7.741 14.286 4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.935 15.309 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.129 16.361 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.035 15.860 8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.611 17.378 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.921 16.070 6.647 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.075 17.035 5.453 1.00 0.00 H new ATOM 1440 N ILE A 98 -7.019 12.896 6.917 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.828 11.689 7.712 1.00 0.00 C ATOM 1442 C ILE A 98 -6.778 12.014 9.201 1.00 0.00 C ATOM 1443 O ILE A 98 -6.262 13.057 9.601 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.536 10.952 7.315 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.227 11.180 5.834 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.662 9.465 7.611 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.303 10.665 4.905 1.00 0.00 C ATOM 0 H ILE A 98 -6.175 13.453 6.787 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.682 11.041 7.512 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.712 11.352 7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.089 12.247 5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.283 10.693 5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.741 8.958 7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.840 9.320 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.496 9.050 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.016 10.861 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.426 9.592 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.244 11.170 5.122 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.317 11.113 10.016 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.331 11.303 11.462 1.00 0.00 C ATOM 1461 C GLU A 99 -6.025 11.930 11.941 1.00 0.00 C ATOM 1462 O GLU A 99 -6.007 13.001 12.547 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.560 9.967 12.172 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.883 9.877 13.529 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.455 8.770 14.394 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -6.961 7.627 14.299 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -8.399 9.046 15.164 1.00 0.00 O ATOM 0 H GLU A 99 -7.749 10.245 9.700 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.149 11.980 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.631 9.811 12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.193 9.160 11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.815 9.708 13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.989 10.830 14.048 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.905 11.246 11.664 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.573 11.716 12.058 1.00 0.00 C ATOM 1476 C PRO A 100 -3.136 12.945 11.269 1.00 0.00 C ATOM 1477 O PRO A 100 -2.718 13.949 11.847 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.668 10.524 11.738 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.385 9.781 10.665 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.852 9.963 10.945 1.00 0.00 C ATOM 0 HA PRO A 100 -3.541 12.024 13.103 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.684 10.853 11.402 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.512 9.898 12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.124 10.169 9.680 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.114 8.725 10.673 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.436 9.993 10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.250 9.147 11.549 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.234 12.860 9.947 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.848 13.966 9.079 1.00 0.00 C ATOM 1490 C ARG A 101 -4.072 14.758 8.629 1.00 0.00 C ATOM 1491 O ARG A 101 -4.954 14.227 7.955 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.090 13.442 7.857 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.729 12.853 8.191 1.00 0.00 C ATOM 1494 CD ARG A 101 0.111 13.822 9.010 1.00 0.00 C ATOM 1495 NE ARG A 101 -0.095 13.646 10.445 1.00 0.00 N ATOM 1496 CZ ARG A 101 0.590 14.305 11.373 1.00 0.00 C ATOM 1497 NH1 ARG A 101 1.521 15.181 11.016 1.00 0.00 N ATOM 1498 NH2 ARG A 101 0.344 14.091 12.658 1.00 0.00 N ATOM 0 H ARG A 101 -3.578 12.036 9.453 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.196 14.630 9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.695 12.681 7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.959 14.256 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.859 11.924 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.203 12.603 7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.165 13.677 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.140 14.845 8.730 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.804 12.980 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.711 15.349 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.046 15.686 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.372 13.420 12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.871 14.598 13.369 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.118 16.031 9.010 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.235 16.897 8.649 1.00 0.00 C ATOM 1514 C ARG A 102 -5.058 17.451 7.238 1.00 0.00 C ATOM 1515 O ARG A 102 -5.713 18.420 6.856 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.360 18.047 9.648 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.253 19.081 9.529 1.00 0.00 C ATOM 1518 CD ARG A 102 -2.980 18.617 10.220 1.00 0.00 C ATOM 1519 NE ARG A 102 -2.198 19.738 10.736 1.00 0.00 N ATOM 1520 CZ ARG A 102 -1.595 20.632 9.960 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -1.685 20.538 8.641 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -0.901 21.623 10.505 1.00 0.00 N ATOM 0 H ARG A 102 -3.395 16.485 9.568 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.148 16.302 8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.322 18.539 9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.358 17.640 10.659 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.047 19.275 8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.584 20.022 9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.236 17.946 11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.374 18.045 9.517 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.110 19.840 11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.218 19.778 8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.221 21.226 8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.830 21.698 11.520 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.438 22.309 9.909 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.168 16.829 6.470 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.905 17.262 5.103 1.00 0.00 C ATOM 1538 C GLU A 103 -4.894 16.625 4.131 1.00 0.00 C ATOM 1539 O GLU A 103 -5.230 15.446 4.253 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.473 16.907 4.698 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.456 17.979 5.051 1.00 0.00 C ATOM 1542 CD GLU A 103 -1.295 18.160 6.547 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.323 18.286 7.244 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -0.140 18.177 7.021 1.00 0.00 O ATOM 0 H GLU A 103 -3.618 16.025 6.771 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.028 18.344 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.188 15.974 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.442 16.729 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.492 17.718 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.762 18.925 4.605 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.356 17.412 3.166 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.307 16.926 2.172 1.00 0.00 C ATOM 1553 C LEU A 104 -5.617 16.675 0.835 1.00 0.00 C ATOM 1554 O LEU A 104 -4.419 16.924 0.685 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.444 17.933 1.990 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.651 17.756 2.913 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.646 18.888 2.713 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.316 16.409 2.669 1.00 0.00 C ATOM 0 H LEU A 104 -5.088 18.389 3.050 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.719 15.983 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.042 18.935 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.790 17.878 0.958 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.302 17.785 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.498 18.745 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.165 19.840 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.990 18.892 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.173 16.300 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.651 16.351 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.601 15.610 2.864 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.379 16.182 -0.136 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.841 15.899 -1.461 1.00 0.00 C ATOM 1572 C LEU A 105 -6.273 16.966 -2.463 1.00 0.00 C ATOM 1573 O LEU A 105 -7.170 17.764 -2.189 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.302 14.520 -1.937 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.098 13.368 -0.953 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.606 12.063 -1.545 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.630 13.246 -0.571 1.00 0.00 C ATOM 0 H LEU A 105 -7.371 15.970 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.753 15.908 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.362 14.578 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.774 14.281 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.671 13.581 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.452 11.255 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.669 12.154 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.061 11.844 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.504 12.421 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.036 13.057 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.297 14.173 -0.104 1.00 0.00 H new ATOM 1589 N THR A 106 -5.630 16.973 -3.626 1.00 0.00 N ATOM 1590 CA THR A 106 -5.948 17.939 -4.670 1.00 0.00 C ATOM 1591 C THR A 106 -6.156 17.250 -6.013 1.00 0.00 C ATOM 1592 O THR A 106 -7.198 17.411 -6.648 1.00 0.00 O ATOM 1593 CB THR A 106 -4.837 18.996 -4.814 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.796 18.499 -5.663 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.258 19.362 -3.455 1.00 0.00 C ATOM 0 H THR A 106 -4.885 16.320 -3.869 1.00 0.00 H new ATOM 0 HA THR A 106 -6.873 18.433 -4.372 1.00 0.00 H new ATOM 0 HB THR A 106 -5.273 19.891 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.094 19.177 -5.751 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.475 20.110 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.047 19.766 -2.820 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.837 18.472 -2.987 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.159 16.482 -6.440 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.234 15.769 -7.709 1.00 0.00 C ATOM 1605 C GLN A 107 -4.389 14.500 -7.671 1.00 0.00 C ATOM 1606 O GLN A 107 -3.393 14.409 -6.953 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.771 16.671 -8.854 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.354 17.193 -8.681 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.009 18.286 -9.674 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.062 18.078 -10.887 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.653 19.459 -9.164 1.00 0.00 N ATOM 0 H GLN A 107 -4.290 16.338 -5.926 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.273 15.487 -7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.833 16.117 -9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.453 17.517 -8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.233 17.577 -7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.651 16.368 -8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.623 19.587 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.410 20.232 -9.784 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.793 13.495 -8.463 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.085 12.213 -8.538 1.00 0.00 C ATOM 1622 C PRO A 108 -2.729 12.339 -9.223 1.00 0.00 C ATOM 1623 O PRO A 108 -2.570 13.113 -10.167 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.026 11.337 -9.370 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.812 12.301 -10.191 1.00 0.00 C ATOM 1626 CD PRO A 108 -5.970 13.534 -9.347 1.00 0.00 C ATOM 0 HA PRO A 108 -3.867 11.809 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.468 10.643 -9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.676 10.737 -8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.296 12.530 -11.123 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.783 11.884 -10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.986 14.438 -9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.900 13.516 -8.779 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.756 11.573 -8.743 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.412 11.599 -9.310 1.00 0.00 C ATOM 1636 C CYS A 109 -0.366 10.842 -10.633 1.00 0.00 C ATOM 1637 O CYS A 109 -1.245 10.033 -10.928 1.00 0.00 O ATOM 1638 CB CYS A 109 0.590 10.992 -8.327 1.00 0.00 C ATOM 1639 SG CYS A 109 2.287 10.928 -8.947 1.00 0.00 S ATOM 0 H CYS A 109 -1.872 10.926 -7.963 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.143 12.639 -9.497 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.574 11.571 -7.404 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.268 9.982 -8.075 1.00 0.00 H new ATOM 0 HG CYS A 109 3.048 11.678 -8.206 1.00 0.00 H new ATOM 1645 N ARG A 110 0.664 11.113 -11.428 1.00 0.00 N ATOM 1646 CA ARG A 110 0.824 10.461 -12.722 1.00 0.00 C ATOM 1647 C ARG A 110 2.112 9.644 -12.764 1.00 0.00 C ATOM 1648 O ARG A 110 3.178 10.129 -12.386 1.00 0.00 O ATOM 1649 CB ARG A 110 0.830 11.501 -13.844 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.064 12.699 -13.570 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.537 12.325 -13.646 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.028 12.323 -15.021 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.464 13.410 -15.648 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -2.467 14.581 -15.026 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -2.897 13.328 -16.900 1.00 0.00 N ATOM 0 H ARG A 110 1.401 11.780 -11.198 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.019 9.785 -12.867 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.851 11.849 -14.000 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.511 11.025 -14.771 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.159 13.103 -12.582 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.150 13.487 -14.292 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.684 11.338 -13.207 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.121 13.029 -13.053 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.037 11.438 -15.528 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.134 14.648 -14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.802 15.414 -15.509 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.895 12.429 -17.382 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.231 14.164 -17.380 1.00 0.00 H new ATOM 1669 N GLN A 111 2.004 8.402 -13.225 1.00 0.00 N ATOM 1670 CA GLN A 111 3.160 7.518 -13.315 1.00 0.00 C ATOM 1671 C GLN A 111 4.327 8.217 -14.003 1.00 0.00 C ATOM 1672 O GLN A 111 4.150 9.237 -14.669 1.00 0.00 O ATOM 1673 CB GLN A 111 2.795 6.241 -14.075 1.00 0.00 C ATOM 1674 CG GLN A 111 1.682 5.440 -13.420 1.00 0.00 C ATOM 1675 CD GLN A 111 0.303 5.860 -13.891 1.00 0.00 C ATOM 1676 OE1 GLN A 111 0.169 6.710 -14.772 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.729 5.266 -13.306 1.00 0.00 N ATOM 0 H GLN A 111 1.128 7.985 -13.542 1.00 0.00 H new ATOM 0 HA GLN A 111 3.464 7.255 -12.302 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.493 6.505 -15.088 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.682 5.613 -14.160 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.828 4.381 -13.634 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.743 5.558 -12.338 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.571 4.567 -12.580 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.681 5.508 -13.582 1.00 0.00 H new ATOM 1686 N LYS A 112 5.524 7.662 -13.837 1.00 0.00 N ATOM 1687 CA LYS A 112 6.722 8.231 -14.441 1.00 0.00 C ATOM 1688 C LYS A 112 6.901 7.731 -15.871 1.00 0.00 C ATOM 1689 O LYS A 112 8.015 7.691 -16.391 1.00 0.00 O ATOM 1690 CB LYS A 112 7.956 7.878 -13.608 1.00 0.00 C ATOM 1691 CG LYS A 112 7.876 8.356 -12.169 1.00 0.00 C ATOM 1692 CD LYS A 112 8.135 9.849 -12.063 1.00 0.00 C ATOM 1693 CE LYS A 112 9.623 10.151 -11.962 1.00 0.00 C ATOM 1694 NZ LYS A 112 9.881 11.602 -11.746 1.00 0.00 N ATOM 0 H LYS A 112 5.689 6.818 -13.288 1.00 0.00 H new ATOM 0 HA LYS A 112 6.606 9.315 -14.465 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.092 6.797 -13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.838 8.313 -14.078 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.891 8.127 -11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.604 7.816 -11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.718 10.354 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.622 10.247 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.055 9.579 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.122 9.825 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.906 11.767 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.491 12.146 -12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.426 11.908 -10.862 1.00 0.00 H new