USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc=-0.00387 USER MOD Set 1.2: A 103 HIS : no HD1:sc= -0.0103 X(o=-0.014,f=-0.0039) USER MOD Set 2.1: A 26 SER OG : rot -124:sc= 0.773 USER MOD Set 2.2: A 72 ASN :FLIP amide:sc= 0.679 F(o=-0.46,f=1.5) USER MOD Single : A 17 ASN : amide:sc= -0.836 K(o=-0.84,f=-1.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.1) USER MOD Single : A 23 THR OG1 : rot 100:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0.00296 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= -2.28 (180deg=-2.34) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 154:sc= 0.852 USER MOD Single : A 43 GLN : amide:sc= -0.0708 X(o=-0.071,f=-0.0087) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0435 USER MOD Single : A 48 CYS SG : rot -118:sc= -0.0231 USER MOD Single : A 51 ASN : amide:sc= -0.775 X(o=-0.77,f=-0.52) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00304) USER MOD Single : A 66 THR OG1 : rot -96:sc= 0.735 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.54) USER MOD Single : A 69 LYS NZ :NH3+ -138:sc= -3.29! (180deg=-6.05!) USER MOD Single : A 73 TYR OH : rot -174:sc= 0.841 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= -1.17 (180deg=-1.43) USER MOD Single : A 83 TYR OH : rot -71:sc= 0.058 USER MOD Single : A 92 SER OG : rot -11:sc= 0.865 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 149:sc= -0.0653 (180deg=-0.504) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -1.77! C(o=-4.1!,f=-1.8!) USER MOD Single : A 100 TYR OH : rot 130:sc= -4.94! USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.143 F(o=-0.86,f=-0.14) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-10!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= -0.315 X(o=-0.31,f=-0.62) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.517 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.628 1.442 -15.384 1.00 0.00 N ATOM 168 CA PRO A 14 -2.371 1.312 -14.641 1.00 0.00 C ATOM 169 C PRO A 14 -2.599 1.050 -13.157 1.00 0.00 C ATOM 170 O PRO A 14 -2.052 0.102 -12.591 1.00 0.00 O ATOM 171 CB PRO A 14 -1.696 2.670 -14.847 1.00 0.00 C ATOM 172 CG PRO A 14 -2.817 3.615 -15.110 1.00 0.00 C ATOM 173 CD PRO A 14 -3.864 2.822 -15.841 1.00 0.00 C ATOM 0 HA PRO A 14 -1.777 0.468 -14.990 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.127 2.967 -13.966 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.998 2.642 -15.683 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.213 4.019 -14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.481 4.462 -15.708 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.870 3.161 -15.594 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.754 2.912 -16.922 1.00 0.00 H new ATOM 181 N LEU A 15 -3.411 1.895 -12.530 1.00 0.00 N ATOM 182 CA LEU A 15 -3.712 1.754 -11.109 1.00 0.00 C ATOM 183 C LEU A 15 -5.218 1.684 -10.876 1.00 0.00 C ATOM 184 O LEU A 15 -5.910 2.701 -10.816 1.00 0.00 O ATOM 185 CB LEU A 15 -3.117 2.923 -10.323 1.00 0.00 C ATOM 186 CG LEU A 15 -1.729 2.692 -9.725 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.784 1.621 -8.647 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.737 2.306 -10.812 1.00 0.00 C ATOM 0 H LEU A 15 -3.872 2.684 -12.983 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.265 0.824 -10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.067 3.790 -10.982 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.802 3.177 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.392 3.622 -9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.787 1.470 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.462 1.937 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.142 0.687 -9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.245 2.146 -10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.069 1.389 -11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.675 3.106 -11.549 1.00 0.00 H new ATOM 200 N PRO A 16 -5.740 0.456 -10.740 1.00 0.00 N ATOM 201 CA PRO A 16 -7.168 0.224 -10.508 1.00 0.00 C ATOM 202 C PRO A 16 -7.611 0.673 -9.120 1.00 0.00 C ATOM 203 O PRO A 16 -6.828 0.653 -8.172 1.00 0.00 O ATOM 204 CB PRO A 16 -7.309 -1.294 -10.649 1.00 0.00 C ATOM 205 CG PRO A 16 -5.959 -1.831 -10.320 1.00 0.00 C ATOM 206 CD PRO A 16 -4.975 -0.801 -10.800 1.00 0.00 C ATOM 0 HA PRO A 16 -7.790 0.790 -11.201 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.067 -1.686 -9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.610 -1.572 -11.659 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.856 -1.999 -9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.790 -2.790 -10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.090 -0.764 -10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.632 -1.014 -11.812 1.00 0.00 H new ATOM 214 N ASN A 17 -8.872 1.078 -9.008 1.00 0.00 N ATOM 215 CA ASN A 17 -9.419 1.532 -7.735 1.00 0.00 C ATOM 216 C ASN A 17 -9.561 0.369 -6.758 1.00 0.00 C ATOM 217 O ASN A 17 -10.003 0.549 -5.623 1.00 0.00 O ATOM 218 CB ASN A 17 -10.778 2.202 -7.949 1.00 0.00 C ATOM 219 CG ASN A 17 -11.932 1.229 -7.801 1.00 0.00 C ATOM 220 OD1 ASN A 17 -12.295 0.845 -6.689 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.514 0.826 -8.924 1.00 0.00 N ATOM 0 H ASN A 17 -9.534 1.101 -9.784 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.727 2.258 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.897 3.014 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.808 2.648 -8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.296 0.172 -8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.180 1.171 -9.824 1.00 0.00 H new ATOM 228 N SER A 18 -9.183 -0.823 -7.207 1.00 0.00 N ATOM 229 CA SER A 18 -9.272 -2.017 -6.374 1.00 0.00 C ATOM 230 C SER A 18 -8.135 -2.054 -5.356 1.00 0.00 C ATOM 231 O SER A 18 -8.330 -2.443 -4.205 1.00 0.00 O ATOM 232 CB SER A 18 -9.234 -3.275 -7.243 1.00 0.00 C ATOM 233 OG SER A 18 -10.115 -3.158 -8.348 1.00 0.00 O ATOM 0 H SER A 18 -8.812 -0.988 -8.143 1.00 0.00 H new ATOM 0 HA SER A 18 -10.219 -1.985 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.218 -3.444 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.510 -4.143 -6.644 1.00 0.00 H new ATOM 0 HG SER A 18 -10.071 -3.974 -8.889 1.00 0.00 H new ATOM 239 N VAL A 19 -6.947 -1.646 -5.790 1.00 0.00 N ATOM 240 CA VAL A 19 -5.779 -1.632 -4.918 1.00 0.00 C ATOM 241 C VAL A 19 -5.916 -0.570 -3.833 1.00 0.00 C ATOM 242 O VAL A 19 -5.333 -0.689 -2.755 1.00 0.00 O ATOM 243 CB VAL A 19 -4.487 -1.371 -5.715 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.300 -2.429 -6.792 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.509 0.023 -6.324 1.00 0.00 C ATOM 0 H VAL A 19 -6.768 -1.321 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.719 -2.616 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.641 -1.431 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.382 -2.228 -7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.236 -3.413 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.148 -2.405 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.589 0.190 -6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.363 0.113 -6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.591 0.766 -5.530 1.00 0.00 H new ATOM 255 N PHE A 20 -6.691 0.469 -4.125 1.00 0.00 N ATOM 256 CA PHE A 20 -6.906 1.554 -3.174 1.00 0.00 C ATOM 257 C PHE A 20 -8.046 1.220 -2.216 1.00 0.00 C ATOM 258 O PHE A 20 -9.218 1.262 -2.590 1.00 0.00 O ATOM 259 CB PHE A 20 -7.212 2.857 -3.914 1.00 0.00 C ATOM 260 CG PHE A 20 -6.152 3.246 -4.905 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.161 2.725 -6.189 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.148 4.133 -4.553 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.187 3.081 -7.104 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.172 4.493 -5.464 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.191 3.966 -6.740 1.00 0.00 C ATOM 0 H PHE A 20 -7.181 0.583 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.992 1.680 -2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.165 2.755 -4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.330 3.660 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.938 2.033 -6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.127 4.548 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.205 2.668 -8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.395 5.186 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.429 4.245 -7.452 1.00 0.00 H new ATOM 275 N VAL A 21 -7.694 0.888 -0.978 1.00 0.00 N ATOM 276 CA VAL A 21 -8.686 0.547 0.034 1.00 0.00 C ATOM 277 C VAL A 21 -8.878 1.691 1.022 1.00 0.00 C ATOM 278 O VAL A 21 -7.956 2.464 1.280 1.00 0.00 O ATOM 279 CB VAL A 21 -8.286 -0.723 0.807 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.909 -0.556 1.433 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.326 -1.051 1.868 1.00 0.00 C ATOM 0 H VAL A 21 -6.728 0.848 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.623 0.363 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.241 -1.555 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.643 -1.464 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.173 -0.372 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.923 0.288 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.027 -1.951 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.405 -0.220 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.292 -1.217 1.391 1.00 0.00 H new ATOM 291 N ASN A 22 -10.083 1.794 1.574 1.00 0.00 N ATOM 292 CA ASN A 22 -10.397 2.845 2.535 1.00 0.00 C ATOM 293 C ASN A 22 -10.012 2.421 3.949 1.00 0.00 C ATOM 294 O ASN A 22 -10.635 2.839 4.926 1.00 0.00 O ATOM 295 CB ASN A 22 -11.888 3.186 2.481 1.00 0.00 C ATOM 296 CG ASN A 22 -12.193 4.543 3.085 1.00 0.00 C ATOM 297 OD1 ASN A 22 -11.864 5.580 2.508 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.824 4.542 4.253 1.00 0.00 N ATOM 0 H ASN A 22 -10.858 1.162 1.372 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.819 3.730 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.225 3.169 1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.453 2.420 3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.055 5.425 4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.078 3.658 4.695 1.00 0.00 H new ATOM 305 N THR A 23 -8.980 1.590 4.052 1.00 0.00 N ATOM 306 CA THR A 23 -8.511 1.109 5.345 1.00 0.00 C ATOM 307 C THR A 23 -7.165 1.727 5.707 1.00 0.00 C ATOM 308 O THR A 23 -6.382 2.093 4.830 1.00 0.00 O ATOM 309 CB THR A 23 -8.379 -0.426 5.360 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.224 -0.892 6.705 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.192 -0.875 4.522 1.00 0.00 C ATOM 0 H THR A 23 -8.452 1.236 3.254 1.00 0.00 H new ATOM 0 HA THR A 23 -9.256 1.409 6.082 1.00 0.00 H new ATOM 0 HB THR A 23 -9.287 -0.851 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.084 -1.225 7.037 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.119 -1.962 4.548 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.328 -0.545 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.277 -0.440 4.925 1.00 0.00 H new ATOM 319 N THR A 24 -6.901 1.839 7.005 1.00 0.00 N ATOM 320 CA THR A 24 -5.649 2.414 7.483 1.00 0.00 C ATOM 321 C THR A 24 -5.025 1.545 8.569 1.00 0.00 C ATOM 322 O THR A 24 -4.278 2.035 9.414 1.00 0.00 O ATOM 323 CB THR A 24 -5.859 3.836 8.036 1.00 0.00 C ATOM 324 OG1 THR A 24 -6.702 3.793 9.192 1.00 0.00 O ATOM 325 CG2 THR A 24 -6.480 4.740 6.982 1.00 0.00 C ATOM 0 H THR A 24 -7.537 1.539 7.744 1.00 0.00 H new ATOM 0 HA THR A 24 -4.975 2.461 6.627 1.00 0.00 H new ATOM 0 HB THR A 24 -4.886 4.242 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.829 4.701 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.619 5.739 7.395 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.821 4.794 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.446 4.335 6.679 1.00 0.00 H new ATOM 333 N GLU A 25 -5.337 0.253 8.539 1.00 0.00 N ATOM 334 CA GLU A 25 -4.806 -0.683 9.523 1.00 0.00 C ATOM 335 C GLU A 25 -4.211 -1.911 8.839 1.00 0.00 C ATOM 336 O GLU A 25 -4.936 -2.805 8.404 1.00 0.00 O ATOM 337 CB GLU A 25 -5.905 -1.111 10.498 1.00 0.00 C ATOM 338 CG GLU A 25 -6.594 0.054 11.188 1.00 0.00 C ATOM 339 CD GLU A 25 -5.917 0.444 12.488 1.00 0.00 C ATOM 340 OE1 GLU A 25 -4.724 0.810 12.449 1.00 0.00 O ATOM 341 OE2 GLU A 25 -6.580 0.382 13.544 1.00 0.00 O ATOM 0 H GLU A 25 -5.954 -0.169 7.845 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.015 -0.178 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.650 -1.695 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.473 -1.766 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.607 0.913 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.633 -0.210 11.388 1.00 0.00 H new ATOM 348 N SER A 26 -2.885 -1.946 8.748 1.00 0.00 N ATOM 349 CA SER A 26 -2.191 -3.061 8.114 1.00 0.00 C ATOM 350 C SER A 26 -2.880 -4.383 8.438 1.00 0.00 C ATOM 351 O SER A 26 -3.019 -5.250 7.574 1.00 0.00 O ATOM 352 CB SER A 26 -0.732 -3.107 8.571 1.00 0.00 C ATOM 353 OG SER A 26 0.040 -2.117 7.914 1.00 0.00 O ATOM 0 H SER A 26 -2.270 -1.215 9.105 1.00 0.00 H new ATOM 0 HA SER A 26 -2.221 -2.910 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.681 -2.956 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.315 -4.093 8.367 1.00 0.00 H new ATOM 0 HG SER A 26 0.800 -2.541 7.464 1.00 0.00 H new ATOM 359 N CYS A 27 -3.307 -4.530 9.687 1.00 0.00 N ATOM 360 CA CYS A 27 -3.981 -5.748 10.126 1.00 0.00 C ATOM 361 C CYS A 27 -5.106 -6.122 9.167 1.00 0.00 C ATOM 362 O CYS A 27 -5.131 -7.227 8.626 1.00 0.00 O ATOM 363 CB CYS A 27 -4.537 -5.566 11.539 1.00 0.00 C ATOM 364 SG CYS A 27 -3.277 -5.220 12.789 1.00 0.00 S ATOM 0 H CYS A 27 -3.199 -3.822 10.413 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.250 -6.557 10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.260 -4.750 11.531 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.078 -6.468 11.824 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.845 -5.080 13.950 1.00 0.00 H new ATOM 370 N GLU A 28 -6.037 -5.195 8.965 1.00 0.00 N ATOM 371 CA GLU A 28 -7.167 -5.430 8.073 1.00 0.00 C ATOM 372 C GLU A 28 -6.695 -5.978 6.729 1.00 0.00 C ATOM 373 O GLU A 28 -7.070 -7.080 6.330 1.00 0.00 O ATOM 374 CB GLU A 28 -7.955 -4.136 7.861 1.00 0.00 C ATOM 375 CG GLU A 28 -9.139 -4.291 6.921 1.00 0.00 C ATOM 376 CD GLU A 28 -10.359 -4.870 7.611 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.985 -4.146 8.414 1.00 0.00 O ATOM 378 OE2 GLU A 28 -10.689 -6.045 7.348 1.00 0.00 O ATOM 0 H GLU A 28 -6.031 -4.275 9.406 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.817 -6.171 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.313 -3.776 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.285 -3.373 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.392 -3.319 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.856 -4.936 6.089 1.00 0.00 H new ATOM 385 N VAL A 29 -5.871 -5.199 6.036 1.00 0.00 N ATOM 386 CA VAL A 29 -5.347 -5.605 4.738 1.00 0.00 C ATOM 387 C VAL A 29 -5.021 -7.094 4.718 1.00 0.00 C ATOM 388 O VAL A 29 -5.495 -7.831 3.854 1.00 0.00 O ATOM 389 CB VAL A 29 -4.081 -4.808 4.369 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.484 -5.325 3.069 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.397 -3.323 4.267 1.00 0.00 C ATOM 0 H VAL A 29 -5.552 -4.283 6.352 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.125 -5.397 4.004 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.343 -4.946 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.591 -4.750 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.219 -6.376 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.214 -5.220 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.491 -2.775 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.152 -3.164 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.774 -2.965 5.225 1.00 0.00 H new ATOM 401 N GLU A 30 -4.208 -7.529 5.676 1.00 0.00 N ATOM 402 CA GLU A 30 -3.819 -8.931 5.767 1.00 0.00 C ATOM 403 C GLU A 30 -5.033 -9.844 5.624 1.00 0.00 C ATOM 404 O GLU A 30 -5.010 -10.810 4.861 1.00 0.00 O ATOM 405 CB GLU A 30 -3.118 -9.203 7.100 1.00 0.00 C ATOM 406 CG GLU A 30 -2.079 -10.309 7.027 1.00 0.00 C ATOM 407 CD GLU A 30 -1.018 -10.185 8.103 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.309 -9.583 9.158 1.00 0.00 O ATOM 409 OE2 GLU A 30 0.105 -10.690 7.890 1.00 0.00 O ATOM 0 H GLU A 30 -3.807 -6.931 6.399 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.129 -9.143 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.637 -8.286 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.866 -9.468 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.575 -11.275 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.602 -10.290 6.047 1.00 0.00 H new ATOM 416 N ARG A 31 -6.092 -9.531 6.363 1.00 0.00 N ATOM 417 CA ARG A 31 -7.315 -10.323 6.320 1.00 0.00 C ATOM 418 C ARG A 31 -7.987 -10.212 4.955 1.00 0.00 C ATOM 419 O ARG A 31 -8.465 -11.204 4.403 1.00 0.00 O ATOM 420 CB ARG A 31 -8.282 -9.867 7.415 1.00 0.00 C ATOM 421 CG ARG A 31 -9.472 -10.794 7.601 1.00 0.00 C ATOM 422 CD ARG A 31 -10.051 -10.682 9.003 1.00 0.00 C ATOM 423 NE ARG A 31 -10.873 -11.838 9.349 1.00 0.00 N ATOM 424 CZ ARG A 31 -10.378 -13.049 9.580 1.00 0.00 C ATOM 425 NH1 ARG A 31 -9.071 -13.261 9.501 1.00 0.00 N ATOM 426 NH2 ARG A 31 -11.190 -14.052 9.890 1.00 0.00 N ATOM 0 H ARG A 31 -6.128 -8.734 6.999 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.049 -11.366 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.740 -9.791 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.645 -8.868 7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.241 -10.552 6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.166 -11.823 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.239 -10.586 9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.651 -9.775 9.076 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.882 -11.709 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.443 -12.493 9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.694 -14.192 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.196 -13.894 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.808 -14.981 10.067 1.00 0.00 H new ATOM 440 N LEU A 32 -8.021 -8.999 4.415 1.00 0.00 N ATOM 441 CA LEU A 32 -8.634 -8.757 3.113 1.00 0.00 C ATOM 442 C LEU A 32 -7.979 -9.614 2.035 1.00 0.00 C ATOM 443 O LEU A 32 -8.657 -10.338 1.305 1.00 0.00 O ATOM 444 CB LEU A 32 -8.523 -7.277 2.742 1.00 0.00 C ATOM 445 CG LEU A 32 -9.045 -6.284 3.781 1.00 0.00 C ATOM 446 CD1 LEU A 32 -8.722 -4.857 3.364 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.544 -6.457 3.979 1.00 0.00 C ATOM 0 H LEU A 32 -7.631 -8.167 4.858 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.687 -9.031 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.475 -7.050 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.064 -7.115 1.810 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.548 -6.486 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.101 -4.164 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.642 -4.740 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.191 -4.643 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.898 -5.742 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.058 -6.283 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.751 -7.470 4.323 1.00 0.00 H new ATOM 459 N PHE A 33 -6.656 -9.529 1.941 1.00 0.00 N ATOM 460 CA PHE A 33 -5.909 -10.297 0.952 1.00 0.00 C ATOM 461 C PHE A 33 -6.330 -11.764 0.972 1.00 0.00 C ATOM 462 O PHE A 33 -6.756 -12.313 -0.044 1.00 0.00 O ATOM 463 CB PHE A 33 -4.406 -10.183 1.216 1.00 0.00 C ATOM 464 CG PHE A 33 -3.814 -8.881 0.756 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.594 -7.738 0.683 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.479 -8.801 0.396 1.00 0.00 C ATOM 467 CE1 PHE A 33 -4.052 -6.539 0.259 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.931 -7.605 -0.028 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.719 -6.472 -0.096 1.00 0.00 C ATOM 0 H PHE A 33 -6.079 -8.936 2.538 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.130 -9.887 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.223 -10.299 2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.894 -11.004 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.637 -7.784 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.859 -9.684 0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.671 -5.655 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.888 -7.556 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.293 -5.536 -0.426 1.00 0.00 H new ATOM 479 N LYS A 34 -6.207 -12.393 2.136 1.00 0.00 N ATOM 480 CA LYS A 34 -6.574 -13.795 2.291 1.00 0.00 C ATOM 481 C LYS A 34 -8.083 -13.980 2.164 1.00 0.00 C ATOM 482 O LYS A 34 -8.557 -15.050 1.783 1.00 0.00 O ATOM 483 CB LYS A 34 -6.098 -14.321 3.647 1.00 0.00 C ATOM 484 CG LYS A 34 -4.591 -14.254 3.830 1.00 0.00 C ATOM 485 CD LYS A 34 -4.217 -14.001 5.281 1.00 0.00 C ATOM 486 CE LYS A 34 -2.804 -13.452 5.405 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.683 -12.093 4.809 1.00 0.00 N ATOM 0 H LYS A 34 -5.856 -11.953 2.986 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.088 -14.362 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.578 -13.746 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.424 -15.355 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.141 -15.188 3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.182 -13.461 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.922 -13.296 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.299 -14.930 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.520 -13.414 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.107 -14.129 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.719 -11.733 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.880 -12.142 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.366 -11.453 5.263 1.00 0.00 H new ATOM 501 N ALA A 35 -8.832 -12.929 2.483 1.00 0.00 N ATOM 502 CA ALA A 35 -10.286 -12.975 2.401 1.00 0.00 C ATOM 503 C ALA A 35 -10.751 -13.076 0.952 1.00 0.00 C ATOM 504 O ALA A 35 -11.348 -14.075 0.548 1.00 0.00 O ATOM 505 CB ALA A 35 -10.891 -11.748 3.068 1.00 0.00 C ATOM 0 H ALA A 35 -8.455 -12.036 2.800 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.627 -13.866 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.978 -11.795 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.594 -11.720 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.535 -10.848 2.566 1.00 0.00 H new ATOM 511 N THR A 36 -10.475 -12.035 0.173 1.00 0.00 N ATOM 512 CA THR A 36 -10.867 -12.005 -1.230 1.00 0.00 C ATOM 513 C THR A 36 -10.439 -13.280 -1.947 1.00 0.00 C ATOM 514 O THR A 36 -10.950 -13.602 -3.020 1.00 0.00 O ATOM 515 CB THR A 36 -10.258 -10.792 -1.958 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.671 -10.785 -3.329 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.739 -10.820 -1.880 1.00 0.00 C ATOM 0 H THR A 36 -9.981 -11.201 0.491 1.00 0.00 H new ATOM 0 HA THR A 36 -11.954 -11.925 -1.253 1.00 0.00 H new ATOM 0 HB THR A 36 -10.614 -9.886 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.281 -10.010 -3.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.332 -9.954 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.428 -10.795 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.367 -11.732 -2.347 1.00 0.00 H new ATOM 525 N SER A 37 -9.499 -14.004 -1.348 1.00 0.00 N ATOM 526 CA SER A 37 -9.000 -15.244 -1.932 1.00 0.00 C ATOM 527 C SER A 37 -9.942 -16.405 -1.628 1.00 0.00 C ATOM 528 O SER A 37 -10.402 -16.586 -0.500 1.00 0.00 O ATOM 529 CB SER A 37 -7.600 -15.555 -1.400 1.00 0.00 C ATOM 530 OG SER A 37 -7.114 -16.777 -1.928 1.00 0.00 O ATOM 0 H SER A 37 -9.067 -13.753 -0.458 1.00 0.00 H new ATOM 0 HA SER A 37 -8.949 -15.114 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.919 -14.745 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.625 -15.610 -0.312 1.00 0.00 H new ATOM 0 HG SER A 37 -6.134 -16.763 -1.936 1.00 0.00 H new ATOM 536 N PRO A 38 -10.237 -17.211 -2.658 1.00 0.00 N ATOM 537 CA PRO A 38 -11.126 -18.370 -2.528 1.00 0.00 C ATOM 538 C PRO A 38 -10.502 -19.490 -1.703 1.00 0.00 C ATOM 539 O PRO A 38 -11.184 -20.151 -0.920 1.00 0.00 O ATOM 540 CB PRO A 38 -11.333 -18.823 -3.975 1.00 0.00 C ATOM 541 CG PRO A 38 -10.124 -18.341 -4.699 1.00 0.00 C ATOM 542 CD PRO A 38 -9.725 -17.055 -4.030 1.00 0.00 C ATOM 0 HA PRO A 38 -12.051 -18.117 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.428 -19.907 -4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.243 -18.397 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.319 -19.074 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.340 -18.181 -5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.644 -16.914 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.165 -16.190 -4.527 1.00 0.00 H new ATOM 550 N ARG A 39 -9.202 -19.697 -1.883 1.00 0.00 N ATOM 551 CA ARG A 39 -8.486 -20.738 -1.155 1.00 0.00 C ATOM 552 C ARG A 39 -7.935 -20.200 0.162 1.00 0.00 C ATOM 553 O ARG A 39 -7.040 -20.794 0.761 1.00 0.00 O ATOM 554 CB ARG A 39 -7.344 -21.293 -2.009 1.00 0.00 C ATOM 555 CG ARG A 39 -7.813 -22.175 -3.155 1.00 0.00 C ATOM 556 CD ARG A 39 -6.785 -23.243 -3.493 1.00 0.00 C ATOM 557 NE ARG A 39 -7.054 -23.872 -4.783 1.00 0.00 N ATOM 558 CZ ARG A 39 -6.694 -23.344 -5.947 1.00 0.00 C ATOM 559 NH1 ARG A 39 -6.054 -22.183 -5.983 1.00 0.00 N ATOM 560 NH2 ARG A 39 -6.974 -23.977 -7.080 1.00 0.00 N ATOM 0 H ARG A 39 -8.623 -19.158 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.189 -21.541 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.767 -20.461 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.671 -21.867 -1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.757 -22.649 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.003 -21.560 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.790 -22.797 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.782 -24.004 -2.712 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.545 -24.766 -4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.837 -21.693 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.779 -21.780 -6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.466 -24.870 -7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.697 -23.570 -7.973 1.00 0.00 H new ATOM 574 N GLY A 40 -8.477 -19.070 0.607 1.00 0.00 N ATOM 575 CA GLY A 40 -8.027 -18.470 1.849 1.00 0.00 C ATOM 576 C GLY A 40 -6.526 -18.258 1.881 1.00 0.00 C ATOM 577 O GLY A 40 -5.898 -18.383 2.931 1.00 0.00 O ATOM 0 H GLY A 40 -9.220 -18.560 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.529 -17.513 1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.318 -19.108 2.683 1.00 0.00 H new ATOM 581 N GLU A 41 -5.951 -17.937 0.726 1.00 0.00 N ATOM 582 CA GLU A 41 -4.514 -17.710 0.626 1.00 0.00 C ATOM 583 C GLU A 41 -4.184 -16.841 -0.585 1.00 0.00 C ATOM 584 O GLU A 41 -4.438 -17.208 -1.732 1.00 0.00 O ATOM 585 CB GLU A 41 -3.770 -19.043 0.529 1.00 0.00 C ATOM 586 CG GLU A 41 -4.181 -19.884 -0.668 1.00 0.00 C ATOM 587 CD GLU A 41 -3.618 -21.291 -0.614 1.00 0.00 C ATOM 588 OE1 GLU A 41 -4.125 -22.103 0.187 1.00 0.00 O ATOM 589 OE2 GLU A 41 -2.669 -21.579 -1.374 1.00 0.00 O ATOM 0 H GLU A 41 -6.458 -17.828 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.191 -17.187 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.699 -18.848 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.945 -19.614 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.269 -19.934 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.844 -19.397 -1.583 1.00 0.00 H new ATOM 596 N PRO A 42 -3.603 -15.661 -0.324 1.00 0.00 N ATOM 597 CA PRO A 42 -3.225 -14.715 -1.378 1.00 0.00 C ATOM 598 C PRO A 42 -2.054 -15.217 -2.215 1.00 0.00 C ATOM 599 O PRO A 42 -1.283 -16.068 -1.771 1.00 0.00 O ATOM 600 CB PRO A 42 -2.827 -13.458 -0.601 1.00 0.00 C ATOM 601 CG PRO A 42 -2.410 -13.957 0.739 1.00 0.00 C ATOM 602 CD PRO A 42 -3.271 -15.158 1.020 1.00 0.00 C ATOM 0 HA PRO A 42 -4.034 -14.554 -2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.014 -12.927 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.661 -12.761 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.353 -14.224 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.549 -13.190 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.739 -15.905 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.166 -14.889 1.581 1.00 0.00 H new ATOM 610 N GLN A 43 -1.926 -14.685 -3.426 1.00 0.00 N ATOM 611 CA GLN A 43 -0.848 -15.080 -4.324 1.00 0.00 C ATOM 612 C GLN A 43 0.387 -14.211 -4.108 1.00 0.00 C ATOM 613 O GLN A 43 0.278 -13.004 -3.892 1.00 0.00 O ATOM 614 CB GLN A 43 -1.307 -14.983 -5.780 1.00 0.00 C ATOM 615 CG GLN A 43 -2.389 -15.986 -6.146 1.00 0.00 C ATOM 616 CD GLN A 43 -3.787 -15.436 -5.945 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.553 -15.941 -5.124 1.00 0.00 O ATOM 618 NE2 GLN A 43 -4.127 -14.394 -6.695 1.00 0.00 N ATOM 0 H GLN A 43 -2.556 -13.979 -3.808 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.585 -16.114 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.678 -13.976 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.448 -15.134 -6.434 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.266 -16.283 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.266 -16.884 -5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.460 -14.007 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.055 -13.980 -6.603 1.00 0.00 H new ATOM 627 N ASP A 44 1.559 -14.833 -4.169 1.00 0.00 N ATOM 628 CA ASP A 44 2.815 -14.116 -3.980 1.00 0.00 C ATOM 629 C ASP A 44 2.884 -12.892 -4.889 1.00 0.00 C ATOM 630 O ASP A 44 2.680 -12.992 -6.098 1.00 0.00 O ATOM 631 CB ASP A 44 4.002 -15.040 -4.259 1.00 0.00 C ATOM 632 CG ASP A 44 5.328 -14.306 -4.224 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.516 -13.383 -5.043 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.178 -14.657 -3.379 1.00 0.00 O ATOM 0 H ASP A 44 1.666 -15.832 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 44 2.861 -13.781 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.015 -15.843 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.874 -15.506 -5.236 1.00 0.00 H new ATOM 639 N GLY A 45 3.171 -11.737 -4.296 1.00 0.00 N ATOM 640 CA GLY A 45 3.260 -10.510 -5.067 1.00 0.00 C ATOM 641 C GLY A 45 2.058 -9.609 -4.863 1.00 0.00 C ATOM 642 O GLY A 45 2.062 -8.452 -5.285 1.00 0.00 O ATOM 0 H GLY A 45 3.343 -11.629 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.165 -9.972 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.351 -10.755 -6.125 1.00 0.00 H new ATOM 646 N LEU A 46 1.026 -10.140 -4.216 1.00 0.00 N ATOM 647 CA LEU A 46 -0.189 -9.376 -3.958 1.00 0.00 C ATOM 648 C LEU A 46 0.135 -8.048 -3.281 1.00 0.00 C ATOM 649 O LEU A 46 0.553 -8.016 -2.123 1.00 0.00 O ATOM 650 CB LEU A 46 -1.149 -10.186 -3.085 1.00 0.00 C ATOM 651 CG LEU A 46 -2.637 -9.880 -3.259 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.053 -10.062 -4.710 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.474 -10.764 -2.347 1.00 0.00 C ATOM 0 H LEU A 46 1.007 -11.096 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.667 -9.167 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.990 -11.244 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.885 -10.021 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.809 -8.840 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.115 -9.840 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.477 -9.385 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.866 -11.091 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.530 -10.532 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.297 -11.811 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.195 -10.583 -1.309 1.00 0.00 H new ATOM 665 N TYR A 47 -0.063 -6.955 -4.008 1.00 0.00 N ATOM 666 CA TYR A 47 0.208 -5.624 -3.478 1.00 0.00 C ATOM 667 C TYR A 47 -1.048 -4.759 -3.508 1.00 0.00 C ATOM 668 O TYR A 47 -2.018 -5.077 -4.197 1.00 0.00 O ATOM 669 CB TYR A 47 1.324 -4.951 -4.278 1.00 0.00 C ATOM 670 CG TYR A 47 0.962 -4.693 -5.723 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.155 -5.669 -6.693 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.426 -3.474 -6.119 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.826 -5.437 -8.015 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.093 -3.234 -7.438 1.00 0.00 C ATOM 675 CZ TYR A 47 0.295 -4.218 -8.382 1.00 0.00 C ATOM 676 OH TYR A 47 -0.035 -3.984 -9.697 1.00 0.00 O ATOM 0 H TYR A 47 -0.411 -6.964 -4.967 1.00 0.00 H new ATOM 0 HA TYR A 47 0.528 -5.732 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.581 -4.005 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.215 -5.578 -4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.569 -6.625 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.267 -2.700 -5.383 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.984 -6.206 -8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.323 -2.281 -7.728 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.397 -3.078 -9.787 1.00 0.00 H new ATOM 686 N CYS A 48 -1.022 -3.663 -2.758 1.00 0.00 N ATOM 687 CA CYS A 48 -2.158 -2.750 -2.698 1.00 0.00 C ATOM 688 C CYS A 48 -1.728 -1.381 -2.181 1.00 0.00 C ATOM 689 O CYS A 48 -0.544 -1.140 -1.945 1.00 0.00 O ATOM 690 CB CYS A 48 -3.255 -3.326 -1.801 1.00 0.00 C ATOM 691 SG CYS A 48 -3.044 -2.953 -0.045 1.00 0.00 S ATOM 0 H CYS A 48 -0.227 -3.385 -2.183 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.550 -2.630 -3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.219 -2.939 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.285 -4.408 -1.931 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.891 -4.060 0.619 1.00 0.00 H new ATOM 697 N ILE A 49 -2.698 -0.488 -2.010 1.00 0.00 N ATOM 698 CA ILE A 49 -2.419 0.857 -1.522 1.00 0.00 C ATOM 699 C ILE A 49 -3.466 1.300 -0.506 1.00 0.00 C ATOM 700 O ILE A 49 -4.607 1.593 -0.863 1.00 0.00 O ATOM 701 CB ILE A 49 -2.376 1.876 -2.676 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.302 1.483 -3.692 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.116 3.275 -2.137 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.383 2.259 -4.988 1.00 0.00 C ATOM 0 H ILE A 49 -3.683 -0.672 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.441 0.823 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.343 1.875 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.319 1.636 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.391 0.419 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.088 3.984 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.913 3.553 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.160 3.291 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.592 1.928 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.352 2.086 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.264 3.323 -4.783 1.00 0.00 H new ATOM 716 N ARG A 50 -3.069 1.349 0.762 1.00 0.00 N ATOM 717 CA ARG A 50 -3.972 1.757 1.830 1.00 0.00 C ATOM 718 C ARG A 50 -4.015 3.278 1.955 1.00 0.00 C ATOM 719 O ARG A 50 -3.416 3.993 1.152 1.00 0.00 O ATOM 720 CB ARG A 50 -3.538 1.138 3.160 1.00 0.00 C ATOM 721 CG ARG A 50 -3.279 -0.358 3.079 1.00 0.00 C ATOM 722 CD ARG A 50 -2.741 -0.902 4.393 1.00 0.00 C ATOM 723 NE ARG A 50 -1.615 -0.115 4.890 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.753 0.974 5.638 1.00 0.00 C ATOM 725 NH1 ARG A 50 -2.961 1.403 5.974 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.680 1.635 6.053 1.00 0.00 N ATOM 0 H ARG A 50 -2.127 1.111 1.074 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.972 1.401 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.632 1.637 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.309 1.325 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.203 -0.875 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.566 -0.562 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.537 -0.906 5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.428 -1.937 4.256 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.671 -0.418 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.788 0.897 5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.064 2.240 6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.251 1.307 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.787 2.471 6.627 1.00 0.00 H new ATOM 740 N ASN A 51 -4.727 3.764 2.966 1.00 0.00 N ATOM 741 CA ASN A 51 -4.848 5.199 3.195 1.00 0.00 C ATOM 742 C ASN A 51 -3.931 5.649 4.328 1.00 0.00 C ATOM 743 O ASN A 51 -3.788 4.957 5.336 1.00 0.00 O ATOM 744 CB ASN A 51 -6.298 5.564 3.522 1.00 0.00 C ATOM 745 CG ASN A 51 -7.111 5.870 2.280 1.00 0.00 C ATOM 746 OD1 ASN A 51 -7.683 6.952 2.150 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.167 4.914 1.359 1.00 0.00 N ATOM 0 H ASN A 51 -5.229 3.185 3.640 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.547 5.714 2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.764 4.741 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.311 6.430 4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.700 5.062 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.677 4.032 1.509 1.00 0.00 H new ATOM 830 N LYS A 58 -0.296 8.172 0.793 1.00 0.00 N ATOM 831 CA LYS A 58 -0.698 6.773 0.718 1.00 0.00 C ATOM 832 C LYS A 58 0.417 5.859 1.215 1.00 0.00 C ATOM 833 O LYS A 58 1.520 6.316 1.516 1.00 0.00 O ATOM 834 CB LYS A 58 -1.071 6.405 -0.720 1.00 0.00 C ATOM 835 CG LYS A 58 -2.313 7.116 -1.227 1.00 0.00 C ATOM 836 CD LYS A 58 -3.582 6.427 -0.754 1.00 0.00 C ATOM 837 CE LYS A 58 -4.747 6.698 -1.694 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.119 8.140 -1.715 1.00 0.00 N ATOM 0 HA LYS A 58 -1.569 6.636 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.233 6.643 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.228 5.328 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.308 8.150 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.298 7.145 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.410 5.353 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.834 6.774 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.483 6.376 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.608 6.105 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.938 8.278 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.363 8.450 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.316 8.700 -2.066 1.00 0.00 H new ATOM 852 N VAL A 59 0.123 4.565 1.298 1.00 0.00 N ATOM 853 CA VAL A 59 1.102 3.587 1.756 1.00 0.00 C ATOM 854 C VAL A 59 1.011 2.297 0.947 1.00 0.00 C ATOM 855 O VAL A 59 -0.030 1.638 0.925 1.00 0.00 O ATOM 856 CB VAL A 59 0.911 3.258 3.249 1.00 0.00 C ATOM 857 CG1 VAL A 59 1.823 2.114 3.665 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.165 4.491 4.102 1.00 0.00 C ATOM 0 H VAL A 59 -0.785 4.170 1.054 1.00 0.00 H new ATOM 0 HA VAL A 59 2.086 4.034 1.613 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.121 2.943 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.674 1.896 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.588 1.228 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.862 2.397 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.026 4.241 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.186 4.839 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.466 5.278 3.821 1.00 0.00 H new ATOM 868 N LEU A 60 2.106 1.943 0.284 1.00 0.00 N ATOM 869 CA LEU A 60 2.150 0.731 -0.527 1.00 0.00 C ATOM 870 C LEU A 60 2.380 -0.500 0.345 1.00 0.00 C ATOM 871 O LEU A 60 3.381 -0.592 1.055 1.00 0.00 O ATOM 872 CB LEU A 60 3.256 0.838 -1.579 1.00 0.00 C ATOM 873 CG LEU A 60 3.736 -0.481 -2.184 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.683 -1.055 -3.118 1.00 0.00 C ATOM 875 CD2 LEU A 60 5.053 -0.282 -2.920 1.00 0.00 C ATOM 0 H LEU A 60 2.975 2.477 0.292 1.00 0.00 H new ATOM 0 HA LEU A 60 1.188 0.624 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.901 1.477 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.112 1.340 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 60 3.899 -1.192 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.043 -1.994 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.763 -1.236 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.487 -0.348 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.380 -1.231 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.916 0.445 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.808 0.083 -2.223 1.00 0.00 H new ATOM 887 N VAL A 61 1.446 -1.444 0.285 1.00 0.00 N ATOM 888 CA VAL A 61 1.548 -2.671 1.066 1.00 0.00 C ATOM 889 C VAL A 61 1.615 -3.895 0.160 1.00 0.00 C ATOM 890 O VAL A 61 0.726 -4.122 -0.662 1.00 0.00 O ATOM 891 CB VAL A 61 0.356 -2.823 2.030 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.359 -4.203 2.669 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.389 -1.735 3.092 1.00 0.00 C ATOM 0 H VAL A 61 0.610 -1.382 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 61 2.468 -2.602 1.646 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.567 -2.715 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.490 -4.292 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.284 -4.964 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.285 -4.344 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.460 -1.857 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.316 -1.810 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.335 -0.757 2.613 1.00 0.00 H new ATOM 903 N VAL A 62 2.674 -4.683 0.316 1.00 0.00 N ATOM 904 CA VAL A 62 2.856 -5.886 -0.487 1.00 0.00 C ATOM 905 C VAL A 62 2.770 -7.141 0.376 1.00 0.00 C ATOM 906 O VAL A 62 3.051 -7.103 1.574 1.00 0.00 O ATOM 907 CB VAL A 62 4.211 -5.872 -1.219 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.175 -6.795 -2.428 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.580 -4.455 -1.630 1.00 0.00 C ATOM 0 H VAL A 62 3.419 -4.510 0.991 1.00 0.00 H new ATOM 0 HA VAL A 62 2.053 -5.899 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 62 4.977 -6.238 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.141 -6.772 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.960 -7.813 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.398 -6.463 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.540 -4.464 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.814 -4.058 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.651 -3.826 -0.743 1.00 0.00 H new ATOM 919 N TRP A 63 2.379 -8.250 -0.241 1.00 0.00 N ATOM 920 CA TRP A 63 2.256 -9.517 0.471 1.00 0.00 C ATOM 921 C TRP A 63 3.492 -10.384 0.256 1.00 0.00 C ATOM 922 O TRP A 63 3.881 -10.657 -0.880 1.00 0.00 O ATOM 923 CB TRP A 63 1.006 -10.266 0.007 1.00 0.00 C ATOM 924 CG TRP A 63 0.966 -11.694 0.462 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.125 -12.806 -0.314 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.750 -12.162 1.798 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.022 -13.937 0.459 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.793 -13.569 1.758 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.528 -11.529 3.024 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.620 -14.351 2.897 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.356 -12.307 4.153 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.403 -13.705 4.084 1.00 0.00 C ATOM 0 H TRP A 63 2.142 -8.298 -1.232 1.00 0.00 H new ATOM 0 HA TRP A 63 2.168 -9.301 1.536 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.122 -9.749 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.957 -10.237 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.305 -12.798 -1.379 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.103 -14.896 0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.492 -10.452 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.656 -15.429 2.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.182 -11.828 5.105 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.265 -14.285 4.985 1.00 0.00 H new ATOM 943 N ASP A 64 4.104 -10.815 1.353 1.00 0.00 N ATOM 944 CA ASP A 64 5.296 -11.653 1.284 1.00 0.00 C ATOM 945 C ASP A 64 4.939 -13.123 1.482 1.00 0.00 C ATOM 946 O ASP A 64 4.941 -13.626 2.605 1.00 0.00 O ATOM 947 CB ASP A 64 6.314 -11.216 2.339 1.00 0.00 C ATOM 948 CG ASP A 64 7.681 -11.831 2.113 1.00 0.00 C ATOM 949 OD1 ASP A 64 7.994 -12.174 0.953 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.439 -11.968 3.096 1.00 0.00 O ATOM 0 H ASP A 64 3.795 -10.598 2.301 1.00 0.00 H new ATOM 0 HA ASP A 64 5.737 -11.535 0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.401 -10.130 2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.951 -11.497 3.328 1.00 0.00 H new ATOM 955 N GLU A 65 4.631 -13.805 0.384 1.00 0.00 N ATOM 956 CA GLU A 65 4.269 -15.217 0.438 1.00 0.00 C ATOM 957 C GLU A 65 5.385 -16.040 1.077 1.00 0.00 C ATOM 958 O GLU A 65 5.137 -17.094 1.662 1.00 0.00 O ATOM 959 CB GLU A 65 3.972 -15.744 -0.967 1.00 0.00 C ATOM 960 CG GLU A 65 3.273 -17.093 -0.975 1.00 0.00 C ATOM 961 CD GLU A 65 1.761 -16.967 -0.973 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.187 -16.722 0.108 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.153 -17.113 -2.054 1.00 0.00 O ATOM 0 H GLU A 65 4.625 -13.403 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 65 3.373 -15.313 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.351 -15.019 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.907 -15.825 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.586 -17.655 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.587 -17.666 -0.103 1.00 0.00 H new ATOM 970 N THR A 66 6.615 -15.550 0.959 1.00 0.00 N ATOM 971 CA THR A 66 7.769 -16.239 1.523 1.00 0.00 C ATOM 972 C THR A 66 7.710 -16.256 3.046 1.00 0.00 C ATOM 973 O THR A 66 8.181 -17.197 3.685 1.00 0.00 O ATOM 974 CB THR A 66 9.089 -15.581 1.078 1.00 0.00 C ATOM 975 OG1 THR A 66 9.157 -14.238 1.571 1.00 0.00 O ATOM 976 CG2 THR A 66 9.208 -15.577 -0.438 1.00 0.00 C ATOM 0 H THR A 66 6.838 -14.679 0.478 1.00 0.00 H new ATOM 0 HA THR A 66 7.739 -17.263 1.150 1.00 0.00 H new ATOM 0 HB THR A 66 9.915 -16.161 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.844 -13.619 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.148 -15.107 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.185 -16.602 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.376 -15.018 -0.867 1.00 0.00 H new ATOM 984 N SER A 67 7.128 -15.209 3.622 1.00 0.00 N ATOM 985 CA SER A 67 7.011 -15.102 5.072 1.00 0.00 C ATOM 986 C SER A 67 5.547 -15.000 5.492 1.00 0.00 C ATOM 987 O SER A 67 5.241 -14.670 6.636 1.00 0.00 O ATOM 988 CB SER A 67 7.785 -13.883 5.579 1.00 0.00 C ATOM 989 OG SER A 67 9.152 -14.196 5.781 1.00 0.00 O ATOM 0 H SER A 67 6.730 -14.423 3.107 1.00 0.00 H new ATOM 0 HA SER A 67 7.436 -16.003 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.697 -13.068 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.347 -13.533 6.514 1.00 0.00 H new ATOM 0 HG SER A 67 9.626 -13.401 6.103 1.00 0.00 H new ATOM 995 N ASN A 68 4.648 -15.286 4.556 1.00 0.00 N ATOM 996 CA ASN A 68 3.217 -15.227 4.828 1.00 0.00 C ATOM 997 C ASN A 68 2.877 -14.015 5.690 1.00 0.00 C ATOM 998 O ASN A 68 2.129 -14.120 6.662 1.00 0.00 O ATOM 999 CB ASN A 68 2.755 -16.508 5.525 1.00 0.00 C ATOM 1000 CG ASN A 68 1.250 -16.689 5.465 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.521 -16.209 6.333 1.00 0.00 O ATOM 1002 ND2 ASN A 68 0.779 -17.384 4.437 1.00 0.00 N ATOM 0 H ASN A 68 4.885 -15.561 3.603 1.00 0.00 H new ATOM 0 HA ASN A 68 2.695 -15.132 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.240 -17.366 5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.074 -16.487 6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.225 -17.539 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.421 -17.763 3.741 1.00 0.00 H new ATOM 1009 N LYS A 69 3.430 -12.863 5.325 1.00 0.00 N ATOM 1010 CA LYS A 69 3.185 -11.629 6.063 1.00 0.00 C ATOM 1011 C LYS A 69 2.981 -10.456 5.109 1.00 0.00 C ATOM 1012 O LYS A 69 2.943 -10.633 3.891 1.00 0.00 O ATOM 1013 CB LYS A 69 4.352 -11.335 7.007 1.00 0.00 C ATOM 1014 CG LYS A 69 5.683 -11.167 6.295 1.00 0.00 C ATOM 1015 CD LYS A 69 6.710 -10.487 7.186 1.00 0.00 C ATOM 1016 CE LYS A 69 6.682 -11.049 8.599 1.00 0.00 C ATOM 1017 NZ LYS A 69 5.519 -10.537 9.376 1.00 0.00 N ATOM 0 H LYS A 69 4.051 -12.758 4.523 1.00 0.00 H new ATOM 0 HA LYS A 69 2.276 -11.760 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.133 -10.427 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.436 -12.146 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.057 -12.143 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.540 -10.579 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.705 -10.618 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.514 -9.415 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.640 -12.137 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.606 -10.786 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.823 -10.302 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.142 -9.685 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.779 -11.266 9.414 1.00 0.00 H new ATOM 1031 N VAL A 70 2.852 -9.258 5.670 1.00 0.00 N ATOM 1032 CA VAL A 70 2.655 -8.056 4.869 1.00 0.00 C ATOM 1033 C VAL A 70 3.699 -6.996 5.202 1.00 0.00 C ATOM 1034 O VAL A 70 4.212 -6.946 6.320 1.00 0.00 O ATOM 1035 CB VAL A 70 1.250 -7.462 5.084 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.180 -8.504 4.797 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.112 -6.920 6.498 1.00 0.00 C ATOM 0 H VAL A 70 2.880 -9.094 6.676 1.00 0.00 H new ATOM 0 HA VAL A 70 2.761 -8.351 3.825 1.00 0.00 H new ATOM 0 HB VAL A 70 1.114 -6.635 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.806 -8.066 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.267 -8.840 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.311 -9.354 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.113 -6.504 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.268 -7.727 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.855 -6.140 6.663 1.00 0.00 H new ATOM 1047 N ARG A 71 4.009 -6.151 4.225 1.00 0.00 N ATOM 1048 CA ARG A 71 4.993 -5.092 4.414 1.00 0.00 C ATOM 1049 C ARG A 71 4.347 -3.717 4.264 1.00 0.00 C ATOM 1050 O ARG A 71 3.227 -3.597 3.771 1.00 0.00 O ATOM 1051 CB ARG A 71 6.135 -5.242 3.408 1.00 0.00 C ATOM 1052 CG ARG A 71 6.835 -6.590 3.478 1.00 0.00 C ATOM 1053 CD ARG A 71 7.655 -6.726 4.752 1.00 0.00 C ATOM 1054 NE ARG A 71 8.538 -5.582 4.959 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.019 -5.230 6.147 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.704 -5.931 7.227 1.00 0.00 N ATOM 1057 NH2 ARG A 71 9.817 -4.176 6.255 1.00 0.00 N ATOM 0 H ARG A 71 3.593 -6.179 3.294 1.00 0.00 H new ATOM 0 HA ARG A 71 5.394 -5.179 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.743 -5.098 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.867 -4.453 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.094 -7.389 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.485 -6.709 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.985 -6.826 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.249 -7.639 4.705 1.00 0.00 H new ATOM 0 HE ARG A 71 8.800 -5.022 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.091 -6.743 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.074 -5.659 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.062 -3.635 5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.186 -3.907 7.167 1.00 0.00 H new ATOM 1071 N ASN A 72 5.063 -2.683 4.695 1.00 0.00 N ATOM 1072 CA ASN A 72 4.560 -1.317 4.611 1.00 0.00 C ATOM 1073 C ASN A 72 5.560 -0.412 3.898 1.00 0.00 C ATOM 1074 O ASN A 72 6.741 -0.381 4.245 1.00 0.00 O ATOM 1075 CB ASN A 72 4.268 -0.771 6.010 1.00 0.00 C ATOM 1076 CG ASN A 72 3.498 -1.758 6.866 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.339 -2.186 6.379 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 3.940 -2.131 7.953 1.00 0.00 N flip ATOM 0 H ASN A 72 5.993 -2.765 5.106 1.00 0.00 H new ATOM 0 HA ASN A 72 3.635 -1.332 4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.207 -0.522 6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.698 0.154 5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.835 -1.776 8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.411 -2.795 8.518 1.00 0.00 H new ATOM 1085 N TYR A 73 5.079 0.323 2.902 1.00 0.00 N ATOM 1086 CA TYR A 73 5.931 1.228 2.139 1.00 0.00 C ATOM 1087 C TYR A 73 5.285 2.604 2.008 1.00 0.00 C ATOM 1088 O TYR A 73 4.501 2.849 1.091 1.00 0.00 O ATOM 1089 CB TYR A 73 6.211 0.650 0.751 1.00 0.00 C ATOM 1090 CG TYR A 73 7.001 -0.639 0.781 1.00 0.00 C ATOM 1091 CD1 TYR A 73 6.359 -1.868 0.880 1.00 0.00 C ATOM 1092 CD2 TYR A 73 8.389 -0.629 0.711 1.00 0.00 C ATOM 1093 CE1 TYR A 73 7.077 -3.048 0.908 1.00 0.00 C ATOM 1094 CE2 TYR A 73 9.114 -1.804 0.737 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.454 -3.011 0.836 1.00 0.00 C ATOM 1096 OH TYR A 73 9.173 -4.184 0.863 1.00 0.00 O ATOM 0 H TYR A 73 4.104 0.310 2.604 1.00 0.00 H new ATOM 0 HA TYR A 73 6.873 1.338 2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.263 0.474 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.757 1.388 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.281 -1.901 0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.910 0.314 0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.563 -3.995 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.192 -1.778 0.680 1.00 0.00 H new ATOM 0 HH TYR A 73 10.131 -3.980 0.901 1.00 0.00 H new ATOM 1106 N ARG A 74 5.620 3.498 2.932 1.00 0.00 N ATOM 1107 CA ARG A 74 5.073 4.850 2.921 1.00 0.00 C ATOM 1108 C ARG A 74 5.269 5.505 1.557 1.00 0.00 C ATOM 1109 O ARG A 74 6.374 5.508 1.013 1.00 0.00 O ATOM 1110 CB ARG A 74 5.735 5.700 4.007 1.00 0.00 C ATOM 1111 CG ARG A 74 4.852 6.824 4.524 1.00 0.00 C ATOM 1112 CD ARG A 74 4.966 8.066 3.655 1.00 0.00 C ATOM 1113 NE ARG A 74 3.847 8.982 3.860 1.00 0.00 N ATOM 1114 CZ ARG A 74 3.793 9.866 4.850 1.00 0.00 C ATOM 1115 NH1 ARG A 74 4.789 9.953 5.720 1.00 0.00 N ATOM 1116 NH2 ARG A 74 2.741 10.665 4.970 1.00 0.00 N ATOM 0 H ARG A 74 6.267 3.311 3.698 1.00 0.00 H new ATOM 0 HA ARG A 74 4.004 4.784 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.014 5.056 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.657 6.126 3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.815 6.491 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.134 7.068 5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.901 8.580 3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.006 7.772 2.606 1.00 0.00 H new ATOM 0 HE ARG A 74 3.064 8.941 3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.600 9.340 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.745 10.633 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.973 10.601 4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.700 11.344 5.730 1.00 0.00 H new ATOM 1130 N ILE A 75 4.191 6.057 1.012 1.00 0.00 N ATOM 1131 CA ILE A 75 4.245 6.716 -0.288 1.00 0.00 C ATOM 1132 C ILE A 75 4.300 8.232 -0.134 1.00 0.00 C ATOM 1133 O ILE A 75 3.267 8.900 -0.090 1.00 0.00 O ATOM 1134 CB ILE A 75 3.031 6.343 -1.159 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.983 4.830 -1.384 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.087 7.080 -2.488 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.662 4.343 -1.938 1.00 0.00 C ATOM 0 H ILE A 75 3.270 6.061 1.450 1.00 0.00 H new ATOM 0 HA ILE A 75 5.154 6.370 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 75 2.122 6.643 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.782 4.547 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.180 4.324 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.222 6.806 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.078 8.155 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.000 6.808 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.700 3.262 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.861 4.594 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.472 4.821 -2.899 1.00 0.00 H new ATOM 1149 N PHE A 76 5.513 8.769 -0.055 1.00 0.00 N ATOM 1150 CA PHE A 76 5.704 10.207 0.092 1.00 0.00 C ATOM 1151 C PHE A 76 5.276 10.945 -1.173 1.00 0.00 C ATOM 1152 O PHE A 76 5.019 10.328 -2.206 1.00 0.00 O ATOM 1153 CB PHE A 76 7.168 10.520 0.408 1.00 0.00 C ATOM 1154 CG PHE A 76 7.636 9.941 1.713 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.418 10.615 2.903 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.296 8.723 1.748 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.847 10.084 4.105 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.727 8.187 2.947 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.504 8.869 4.127 1.00 0.00 C ATOM 0 H PHE A 76 6.378 8.230 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 76 5.081 10.548 0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.795 10.136 -0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.304 11.601 0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.907 11.566 2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.476 8.186 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.669 10.619 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.238 7.236 2.961 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.842 8.453 5.065 1.00 0.00 H new ATOM 1169 N GLU A 77 5.203 12.270 -1.082 1.00 0.00 N ATOM 1170 CA GLU A 77 4.805 13.092 -2.219 1.00 0.00 C ATOM 1171 C GLU A 77 5.746 14.281 -2.386 1.00 0.00 C ATOM 1172 O GLU A 77 5.629 15.284 -1.682 1.00 0.00 O ATOM 1173 CB GLU A 77 3.368 13.585 -2.042 1.00 0.00 C ATOM 1174 CG GLU A 77 2.791 14.240 -3.287 1.00 0.00 C ATOM 1175 CD GLU A 77 1.553 15.064 -2.992 1.00 0.00 C ATOM 1176 OE1 GLU A 77 0.635 14.538 -2.329 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.502 16.235 -3.423 1.00 0.00 O ATOM 0 H GLU A 77 5.414 12.796 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 77 4.862 12.477 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.736 12.743 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.336 14.298 -1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.548 14.879 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.544 13.469 -4.017 1.00 0.00 H new ATOM 1184 N LYS A 78 6.680 14.162 -3.323 1.00 0.00 N ATOM 1185 CA LYS A 78 7.642 15.226 -3.585 1.00 0.00 C ATOM 1186 C LYS A 78 7.681 15.571 -5.070 1.00 0.00 C ATOM 1187 O LYS A 78 7.504 14.702 -5.924 1.00 0.00 O ATOM 1188 CB LYS A 78 9.036 14.810 -3.111 1.00 0.00 C ATOM 1189 CG LYS A 78 10.161 15.590 -3.769 1.00 0.00 C ATOM 1190 CD LYS A 78 11.517 15.195 -3.207 1.00 0.00 C ATOM 1191 CE LYS A 78 11.837 15.963 -1.934 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.492 17.269 -2.223 1.00 0.00 N ATOM 0 H LYS A 78 6.791 13.338 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 78 7.326 16.111 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.097 14.942 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.176 13.748 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.147 15.414 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.001 16.658 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.529 14.125 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.290 15.384 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.918 16.134 -1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.490 15.361 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.694 17.761 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.381 17.105 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.859 17.854 -2.805 1.00 0.00 H new ATOM 1206 N ASP A 79 7.916 16.844 -5.372 1.00 0.00 N ATOM 1207 CA ASP A 79 7.981 17.303 -6.754 1.00 0.00 C ATOM 1208 C ASP A 79 6.818 16.743 -7.568 1.00 0.00 C ATOM 1209 O ASP A 79 6.953 16.480 -8.763 1.00 0.00 O ATOM 1210 CB ASP A 79 9.309 16.890 -7.389 1.00 0.00 C ATOM 1211 CG ASP A 79 10.392 17.933 -7.196 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.900 18.058 -6.063 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.731 18.625 -8.179 1.00 0.00 O ATOM 0 H ASP A 79 8.065 17.576 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 79 7.910 18.391 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.637 15.945 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.161 16.717 -8.455 1.00 0.00 H new ATOM 1218 N SER A 80 5.676 16.561 -6.912 1.00 0.00 N ATOM 1219 CA SER A 80 4.491 16.027 -7.573 1.00 0.00 C ATOM 1220 C SER A 80 4.745 14.612 -8.084 1.00 0.00 C ATOM 1221 O SER A 80 4.285 14.236 -9.162 1.00 0.00 O ATOM 1222 CB SER A 80 4.077 16.934 -8.734 1.00 0.00 C ATOM 1223 OG SER A 80 3.635 18.195 -8.263 1.00 0.00 O ATOM 0 H SER A 80 5.547 16.776 -5.923 1.00 0.00 H new ATOM 0 HA SER A 80 3.683 15.991 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.920 17.070 -9.412 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.282 16.457 -9.307 1.00 0.00 H new ATOM 0 HG SER A 80 3.378 18.757 -9.024 1.00 0.00 H new ATOM 1229 N LYS A 81 5.481 13.831 -7.300 1.00 0.00 N ATOM 1230 CA LYS A 81 5.797 12.456 -7.670 1.00 0.00 C ATOM 1231 C LYS A 81 5.909 11.572 -6.432 1.00 0.00 C ATOM 1232 O LYS A 81 6.570 11.932 -5.458 1.00 0.00 O ATOM 1233 CB LYS A 81 7.103 12.407 -8.465 1.00 0.00 C ATOM 1234 CG LYS A 81 7.119 13.336 -9.666 1.00 0.00 C ATOM 1235 CD LYS A 81 8.105 12.865 -10.723 1.00 0.00 C ATOM 1236 CE LYS A 81 8.148 13.817 -11.908 1.00 0.00 C ATOM 1237 NZ LYS A 81 6.789 14.290 -12.289 1.00 0.00 N ATOM 0 H LYS A 81 5.870 14.127 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 81 4.986 12.078 -8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.930 12.666 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.274 11.385 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.120 13.391 -10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.383 14.343 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.099 12.784 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.825 11.869 -11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.775 14.674 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.610 13.317 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.842 14.811 -13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.155 13.473 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.419 14.917 -11.546 1.00 0.00 H new ATOM 1251 N PHE A 82 5.261 10.413 -6.477 1.00 0.00 N ATOM 1252 CA PHE A 82 5.289 9.477 -5.359 1.00 0.00 C ATOM 1253 C PHE A 82 6.652 8.800 -5.251 1.00 0.00 C ATOM 1254 O PHE A 82 7.184 8.290 -6.237 1.00 0.00 O ATOM 1255 CB PHE A 82 4.193 8.421 -5.522 1.00 0.00 C ATOM 1256 CG PHE A 82 2.881 8.986 -5.985 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.123 9.789 -5.147 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.405 8.715 -7.258 1.00 0.00 C ATOM 1259 CE1 PHE A 82 0.915 10.309 -5.571 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.197 9.233 -7.687 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.451 10.031 -6.842 1.00 0.00 C ATOM 0 H PHE A 82 4.710 10.099 -7.276 1.00 0.00 H new ATOM 0 HA PHE A 82 5.108 10.039 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.528 7.669 -6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.045 7.913 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.480 10.011 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.985 8.092 -7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.333 10.933 -4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.837 9.014 -8.681 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.493 10.437 -7.174 1.00 0.00 H new ATOM 1271 N TYR A 83 7.211 8.799 -4.046 1.00 0.00 N ATOM 1272 CA TYR A 83 8.513 8.187 -3.808 1.00 0.00 C ATOM 1273 C TYR A 83 8.532 7.447 -2.474 1.00 0.00 C ATOM 1274 O TYR A 83 7.744 7.743 -1.575 1.00 0.00 O ATOM 1275 CB TYR A 83 9.611 9.251 -3.829 1.00 0.00 C ATOM 1276 CG TYR A 83 9.633 10.123 -2.594 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.275 9.703 -1.435 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.011 11.365 -2.584 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.298 10.496 -0.304 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.030 12.165 -1.458 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.674 11.726 -0.320 1.00 0.00 C ATOM 1282 OH TYR A 83 9.693 12.519 0.804 1.00 0.00 O ATOM 0 H TYR A 83 6.783 9.215 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 83 8.698 7.467 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.579 8.760 -3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.476 9.883 -4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.764 8.740 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.504 11.711 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 83 10.802 10.155 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.543 13.129 -1.469 1.00 0.00 H new ATOM 0 HH TYR A 83 9.117 12.125 1.492 1.00 0.00 H new ATOM 1292 N LEU A 84 9.438 6.483 -2.353 1.00 0.00 N ATOM 1293 CA LEU A 84 9.562 5.699 -1.129 1.00 0.00 C ATOM 1294 C LEU A 84 10.949 5.863 -0.516 1.00 0.00 C ATOM 1295 O LEU A 84 11.111 5.793 0.702 1.00 0.00 O ATOM 1296 CB LEU A 84 9.291 4.221 -1.417 1.00 0.00 C ATOM 1297 CG LEU A 84 8.119 3.924 -2.354 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.956 2.424 -2.545 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.835 4.537 -1.813 1.00 0.00 C ATOM 0 H LEU A 84 10.097 6.225 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 84 8.824 6.065 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.193 3.784 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.110 3.714 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 84 8.332 4.373 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.118 2.231 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.868 2.011 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.766 1.953 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.012 4.316 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.617 4.118 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.955 5.617 -1.728 1.00 0.00 H new ATOM 1311 N GLU A 85 11.945 6.084 -1.368 1.00 0.00 N ATOM 1312 CA GLU A 85 13.318 6.260 -0.908 1.00 0.00 C ATOM 1313 C GLU A 85 13.693 7.738 -0.868 1.00 0.00 C ATOM 1314 O GLU A 85 14.501 8.162 -0.043 1.00 0.00 O ATOM 1315 CB GLU A 85 14.285 5.501 -1.819 1.00 0.00 C ATOM 1316 CG GLU A 85 14.131 5.845 -3.291 1.00 0.00 C ATOM 1317 CD GLU A 85 12.986 5.097 -3.948 1.00 0.00 C ATOM 1318 OE1 GLU A 85 13.186 3.927 -4.334 1.00 0.00 O ATOM 1319 OE2 GLU A 85 11.891 5.684 -4.076 1.00 0.00 O ATOM 0 H GLU A 85 11.827 6.145 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 85 13.390 5.858 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.308 5.716 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.131 4.430 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.966 6.918 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.059 5.613 -3.814 1.00 0.00 H new ATOM 1326 N GLY A 86 13.099 8.518 -1.766 1.00 0.00 N ATOM 1327 CA GLY A 86 13.384 9.940 -1.817 1.00 0.00 C ATOM 1328 C GLY A 86 13.864 10.387 -3.184 1.00 0.00 C ATOM 1329 O GLY A 86 13.077 10.479 -4.125 1.00 0.00 O ATOM 0 H GLY A 86 12.426 8.191 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.486 10.497 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.142 10.182 -1.072 1.00 0.00 H new ATOM 1333 N GLU A 87 15.160 10.665 -3.292 1.00 0.00 N ATOM 1334 CA GLU A 87 15.743 11.107 -4.554 1.00 0.00 C ATOM 1335 C GLU A 87 15.059 10.427 -5.737 1.00 0.00 C ATOM 1336 O GLU A 87 14.855 11.038 -6.785 1.00 0.00 O ATOM 1337 CB GLU A 87 17.244 10.811 -4.579 1.00 0.00 C ATOM 1338 CG GLU A 87 17.574 9.331 -4.486 1.00 0.00 C ATOM 1339 CD GLU A 87 18.996 9.022 -4.911 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.912 9.185 -4.078 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.193 8.620 -6.077 1.00 0.00 O ATOM 0 H GLU A 87 15.825 10.592 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 87 15.591 12.183 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.670 11.212 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.723 11.334 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.424 8.993 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.881 8.768 -5.112 1.00 0.00 H new ATOM 1348 N VAL A 88 14.708 9.157 -5.559 1.00 0.00 N ATOM 1349 CA VAL A 88 14.047 8.393 -6.611 1.00 0.00 C ATOM 1350 C VAL A 88 12.531 8.448 -6.460 1.00 0.00 C ATOM 1351 O VAL A 88 11.961 7.814 -5.572 1.00 0.00 O ATOM 1352 CB VAL A 88 14.499 6.920 -6.603 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.927 6.180 -7.802 1.00 0.00 C ATOM 1354 CG2 VAL A 88 16.018 6.830 -6.585 1.00 0.00 C ATOM 0 H VAL A 88 14.870 8.636 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 88 14.332 8.848 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 88 14.119 6.445 -5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.257 5.141 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.838 6.216 -7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.275 6.652 -8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.320 5.783 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.422 7.320 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.401 7.323 -5.692 1.00 0.00 H new ATOM 1364 N LEU A 89 11.883 9.210 -7.334 1.00 0.00 N ATOM 1365 CA LEU A 89 10.431 9.349 -7.300 1.00 0.00 C ATOM 1366 C LEU A 89 9.801 8.800 -8.576 1.00 0.00 C ATOM 1367 O LEU A 89 10.497 8.287 -9.453 1.00 0.00 O ATOM 1368 CB LEU A 89 10.044 10.817 -7.117 1.00 0.00 C ATOM 1369 CG LEU A 89 10.987 11.659 -6.257 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.036 12.338 -7.123 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.204 12.690 -5.457 1.00 0.00 C ATOM 0 H LEU A 89 12.340 9.741 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 89 10.055 8.773 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.974 11.279 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.049 10.857 -6.675 1.00 0.00 H new ATOM 0 HG LEU A 89 11.496 10.997 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.698 12.933 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.618 11.582 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.545 12.987 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.892 13.280 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.666 13.348 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.492 12.182 -4.807 1.00 0.00 H new ATOM 1383 N PHE A 90 8.481 8.913 -8.674 1.00 0.00 N ATOM 1384 CA PHE A 90 7.757 8.429 -9.843 1.00 0.00 C ATOM 1385 C PHE A 90 6.601 9.363 -10.192 1.00 0.00 C ATOM 1386 O PHE A 90 5.665 9.530 -9.410 1.00 0.00 O ATOM 1387 CB PHE A 90 7.227 7.016 -9.593 1.00 0.00 C ATOM 1388 CG PHE A 90 8.311 6.005 -9.348 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.776 5.767 -8.065 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.863 5.292 -10.400 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.774 4.837 -7.836 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.860 4.361 -10.177 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.315 4.133 -8.894 1.00 0.00 C ATOM 0 H PHE A 90 7.891 9.336 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 90 8.450 8.406 -10.684 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.557 7.034 -8.733 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.635 6.701 -10.452 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.355 6.314 -7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.510 5.466 -11.406 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.130 4.662 -6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.283 3.812 -11.006 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.093 3.405 -8.718 1.00 0.00 H new ATOM 1403 N VAL A 91 6.675 9.970 -11.372 1.00 0.00 N ATOM 1404 CA VAL A 91 5.636 10.887 -11.826 1.00 0.00 C ATOM 1405 C VAL A 91 4.257 10.425 -11.369 1.00 0.00 C ATOM 1406 O VAL A 91 3.360 11.238 -11.146 1.00 0.00 O ATOM 1407 CB VAL A 91 5.637 11.022 -13.361 1.00 0.00 C ATOM 1408 CG1 VAL A 91 7.034 11.348 -13.867 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.111 9.749 -14.007 1.00 0.00 C ATOM 0 H VAL A 91 7.443 9.843 -12.031 1.00 0.00 H new ATOM 0 HA VAL A 91 5.856 11.858 -11.383 1.00 0.00 H new ATOM 0 HB VAL A 91 4.976 11.843 -13.637 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.015 11.440 -14.953 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.369 12.288 -13.429 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.720 10.550 -13.582 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.118 9.861 -15.091 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.746 8.909 -13.725 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.092 9.564 -13.668 1.00 0.00 H new ATOM 1419 N SER A 92 4.094 9.113 -11.231 1.00 0.00 N ATOM 1420 CA SER A 92 2.823 8.541 -10.803 1.00 0.00 C ATOM 1421 C SER A 92 3.008 7.105 -10.320 1.00 0.00 C ATOM 1422 O SER A 92 3.943 6.416 -10.729 1.00 0.00 O ATOM 1423 CB SER A 92 1.811 8.578 -11.950 1.00 0.00 C ATOM 1424 OG SER A 92 1.515 9.912 -12.326 1.00 0.00 O ATOM 0 H SER A 92 4.827 8.426 -11.409 1.00 0.00 H new ATOM 0 HA SER A 92 2.445 9.139 -9.974 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.208 8.035 -12.807 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.895 8.070 -11.648 1.00 0.00 H new ATOM 0 HG SER A 92 1.887 10.529 -11.662 1.00 0.00 H new ATOM 1430 N VAL A 93 2.110 6.661 -9.447 1.00 0.00 N ATOM 1431 CA VAL A 93 2.172 5.308 -8.907 1.00 0.00 C ATOM 1432 C VAL A 93 2.439 4.289 -10.009 1.00 0.00 C ATOM 1433 O VAL A 93 3.235 3.367 -9.837 1.00 0.00 O ATOM 1434 CB VAL A 93 0.867 4.933 -8.181 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.966 3.533 -7.593 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.547 5.953 -7.099 1.00 0.00 C ATOM 0 H VAL A 93 1.330 7.219 -9.098 1.00 0.00 H new ATOM 0 HA VAL A 93 2.994 5.290 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 93 0.054 4.940 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.035 3.286 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.144 2.814 -8.393 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.790 3.495 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.378 5.672 -6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.360 5.981 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.430 6.938 -7.551 1.00 0.00 H new ATOM 1446 N GLY A 94 1.768 4.463 -11.144 1.00 0.00 N ATOM 1447 CA GLY A 94 1.947 3.550 -12.259 1.00 0.00 C ATOM 1448 C GLY A 94 3.408 3.307 -12.580 1.00 0.00 C ATOM 1449 O GLY A 94 3.895 2.182 -12.473 1.00 0.00 O ATOM 0 H GLY A 94 1.104 5.219 -11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.466 2.600 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.447 3.954 -13.139 1.00 0.00 H new ATOM 1453 N SER A 95 4.109 4.365 -12.976 1.00 0.00 N ATOM 1454 CA SER A 95 5.523 4.260 -13.320 1.00 0.00 C ATOM 1455 C SER A 95 6.285 3.482 -12.251 1.00 0.00 C ATOM 1456 O SER A 95 7.123 2.637 -12.563 1.00 0.00 O ATOM 1457 CB SER A 95 6.133 5.652 -13.487 1.00 0.00 C ATOM 1458 OG SER A 95 7.179 5.639 -14.444 1.00 0.00 O ATOM 0 H SER A 95 3.721 5.304 -13.067 1.00 0.00 H new ATOM 0 HA SER A 95 5.604 3.721 -14.264 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.361 6.356 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.517 6.002 -12.529 1.00 0.00 H new ATOM 0 HG SER A 95 7.551 6.541 -14.534 1.00 0.00 H new ATOM 1464 N MET A 96 5.987 3.775 -10.990 1.00 0.00 N ATOM 1465 CA MET A 96 6.644 3.104 -9.874 1.00 0.00 C ATOM 1466 C MET A 96 6.419 1.596 -9.939 1.00 0.00 C ATOM 1467 O MET A 96 7.362 0.813 -9.830 1.00 0.00 O ATOM 1468 CB MET A 96 6.124 3.652 -8.544 1.00 0.00 C ATOM 1469 CG MET A 96 6.916 3.172 -7.338 1.00 0.00 C ATOM 1470 SD MET A 96 6.451 4.024 -5.818 1.00 0.00 S ATOM 1471 CE MET A 96 4.692 3.694 -5.769 1.00 0.00 C ATOM 0 H MET A 96 5.295 4.472 -10.715 1.00 0.00 H new ATOM 0 HA MET A 96 7.714 3.298 -9.945 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.149 4.741 -8.575 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.081 3.360 -8.423 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.763 2.100 -7.211 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.980 3.322 -7.523 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.361 3.640 -4.732 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.157 4.495 -6.279 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.486 2.746 -6.266 1.00 0.00 H new ATOM 1481 N VAL A 97 5.163 1.197 -10.116 1.00 0.00 N ATOM 1482 CA VAL A 97 4.815 -0.217 -10.196 1.00 0.00 C ATOM 1483 C VAL A 97 5.607 -0.917 -11.295 1.00 0.00 C ATOM 1484 O VAL A 97 6.098 -2.029 -11.106 1.00 0.00 O ATOM 1485 CB VAL A 97 3.310 -0.409 -10.461 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.964 -1.889 -10.527 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.487 0.291 -9.391 1.00 0.00 C ATOM 0 H VAL A 97 4.370 1.832 -10.207 1.00 0.00 H new ATOM 0 HA VAL A 97 5.067 -0.661 -9.233 1.00 0.00 H new ATOM 0 HB VAL A 97 3.069 0.040 -11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.897 -2.005 -10.715 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.528 -2.359 -11.333 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.220 -2.365 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.426 0.145 -9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.730 -0.126 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.714 1.357 -9.397 1.00 0.00 H new ATOM 1497 N GLU A 98 5.727 -0.257 -12.443 1.00 0.00 N ATOM 1498 CA GLU A 98 6.460 -0.817 -13.572 1.00 0.00 C ATOM 1499 C GLU A 98 7.955 -0.881 -13.273 1.00 0.00 C ATOM 1500 O GLU A 98 8.655 -1.779 -13.741 1.00 0.00 O ATOM 1501 CB GLU A 98 6.216 0.017 -14.831 1.00 0.00 C ATOM 1502 CG GLU A 98 4.870 0.722 -14.843 1.00 0.00 C ATOM 1503 CD GLU A 98 4.365 0.991 -16.248 1.00 0.00 C ATOM 1504 OE1 GLU A 98 3.722 0.094 -16.830 1.00 0.00 O ATOM 1505 OE2 GLU A 98 4.614 2.101 -16.764 1.00 0.00 O ATOM 0 H GLU A 98 5.326 0.665 -12.615 1.00 0.00 H new ATOM 0 HA GLU A 98 6.097 -1.831 -13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.007 0.761 -14.923 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.285 -0.631 -15.705 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.140 0.113 -14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.953 1.666 -14.304 1.00 0.00 H new ATOM 1512 N HIS A 99 8.437 0.078 -12.489 1.00 0.00 N ATOM 1513 CA HIS A 99 9.849 0.131 -12.126 1.00 0.00 C ATOM 1514 C HIS A 99 10.216 -1.026 -11.202 1.00 0.00 C ATOM 1515 O HIS A 99 11.200 -1.729 -11.433 1.00 0.00 O ATOM 1516 CB HIS A 99 10.173 1.463 -11.449 1.00 0.00 C ATOM 1517 CG HIS A 99 11.404 1.418 -10.597 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.694 0.682 -9.498 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.516 2.196 -10.839 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.963 1.025 -9.101 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.437 1.940 -9.927 1.00 0.00 N flip ATOM 0 H HIS A 99 7.871 0.829 -12.093 1.00 0.00 H new ATOM 0 HA HIS A 99 10.438 0.044 -13.039 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.299 2.229 -12.214 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.326 1.764 -10.833 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.618 2.904 -11.648 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.488 0.614 -8.252 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.358 2.375 -9.870 1.00 0.00 H new ATOM 1530 N TYR A 100 9.420 -1.217 -10.156 1.00 0.00 N ATOM 1531 CA TYR A 100 9.664 -2.286 -9.195 1.00 0.00 C ATOM 1532 C TYR A 100 9.555 -3.654 -9.863 1.00 0.00 C ATOM 1533 O TYR A 100 10.274 -4.589 -9.510 1.00 0.00 O ATOM 1534 CB TYR A 100 8.673 -2.193 -8.034 1.00 0.00 C ATOM 1535 CG TYR A 100 8.924 -1.017 -7.117 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.214 -0.670 -6.738 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.870 -0.254 -6.629 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.449 0.403 -5.900 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.095 0.821 -5.791 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.386 1.146 -5.429 1.00 0.00 C ATOM 1541 OH TYR A 100 9.614 2.215 -4.594 1.00 0.00 O ATOM 0 H TYR A 100 8.600 -0.645 -9.952 1.00 0.00 H new ATOM 0 HA TYR A 100 10.677 -2.169 -8.809 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.662 -2.121 -8.435 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.720 -3.113 -7.452 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.048 -1.249 -7.105 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.858 -0.506 -6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.459 0.659 -5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.265 1.404 -5.421 1.00 0.00 H new ATOM 0 HH TYR A 100 9.135 3.001 -4.931 1.00 0.00 H new ATOM 1551 N HIS A 101 8.650 -3.762 -10.831 1.00 0.00 N ATOM 1552 CA HIS A 101 8.446 -5.014 -11.551 1.00 0.00 C ATOM 1553 C HIS A 101 9.780 -5.687 -11.859 1.00 0.00 C ATOM 1554 O HIS A 101 9.848 -6.903 -12.039 1.00 0.00 O ATOM 1555 CB HIS A 101 7.677 -4.762 -12.848 1.00 0.00 C ATOM 1556 CG HIS A 101 6.193 -4.900 -12.701 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.394 -4.761 -11.617 1.00 0.00 N flip ATOM 1558 CD2 HIS A 101 5.359 -5.220 -13.751 1.00 0.00 C flip ATOM 1559 CE1 HIS A 101 4.105 -4.996 -12.029 1.00 0.00 C flip ATOM 1560 NE2 HIS A 101 4.112 -5.271 -13.321 1.00 0.00 N flip ATOM 0 H HIS A 101 8.047 -2.998 -11.135 1.00 0.00 H new ATOM 0 HA HIS A 101 7.862 -5.679 -10.915 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.906 -3.759 -13.208 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.025 -5.461 -13.609 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.676 -5.401 -14.767 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.228 -4.962 -11.399 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.293 -5.486 -13.890 1.00 0.00 H new ATOM 1569 N THR A 102 10.841 -4.887 -11.919 1.00 0.00 N ATOM 1570 CA THR A 102 12.173 -5.405 -12.208 1.00 0.00 C ATOM 1571 C THR A 102 13.144 -5.083 -11.078 1.00 0.00 C ATOM 1572 O THR A 102 14.170 -5.746 -10.921 1.00 0.00 O ATOM 1573 CB THR A 102 12.726 -4.828 -13.525 1.00 0.00 C ATOM 1574 OG1 THR A 102 14.157 -4.880 -13.519 1.00 0.00 O ATOM 1575 CG2 THR A 102 12.266 -3.392 -13.723 1.00 0.00 C ATOM 0 H THR A 102 10.803 -3.878 -11.771 1.00 0.00 H new ATOM 0 HA THR A 102 12.078 -6.487 -12.305 1.00 0.00 H new ATOM 0 HB THR A 102 12.344 -5.431 -14.349 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.501 -4.513 -14.360 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.669 -3.007 -14.659 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.177 -3.360 -13.756 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.622 -2.779 -12.895 1.00 0.00 H new ATOM 1583 N HIS A 103 12.814 -4.063 -10.292 1.00 0.00 N ATOM 1584 CA HIS A 103 13.658 -3.654 -9.175 1.00 0.00 C ATOM 1585 C HIS A 103 12.966 -3.929 -7.843 1.00 0.00 C ATOM 1586 O HIS A 103 12.222 -3.090 -7.334 1.00 0.00 O ATOM 1587 CB HIS A 103 14.005 -2.170 -9.286 1.00 0.00 C ATOM 1588 CG HIS A 103 15.149 -1.890 -10.212 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.015 -0.831 -10.039 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.567 -2.539 -11.324 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.916 -0.840 -11.005 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.667 -1.866 -11.798 1.00 0.00 N ATOM 0 H HIS A 103 11.968 -3.505 -10.408 1.00 0.00 H new ATOM 0 HA HIS A 103 14.578 -4.237 -9.214 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.127 -1.625 -9.632 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.248 -1.787 -8.295 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.119 -3.421 -11.758 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.720 -0.129 -11.126 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.204 -2.118 -12.628 1.00 0.00 H new ATOM 1601 N VAL A 104 13.215 -5.109 -7.284 1.00 0.00 N ATOM 1602 CA VAL A 104 12.616 -5.493 -6.011 1.00 0.00 C ATOM 1603 C VAL A 104 12.510 -4.298 -5.070 1.00 0.00 C ATOM 1604 O VAL A 104 13.331 -3.382 -5.119 1.00 0.00 O ATOM 1605 CB VAL A 104 13.429 -6.605 -5.322 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.921 -6.338 -5.456 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.031 -6.727 -3.859 1.00 0.00 C ATOM 0 H VAL A 104 13.827 -5.815 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 104 11.616 -5.867 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 104 13.208 -7.551 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.479 -7.134 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.191 -6.305 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.163 -5.383 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.615 -7.517 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.222 -5.782 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.971 -6.969 -3.789 1.00 0.00 H new ATOM 1617 N LEU A 105 11.494 -4.315 -4.215 1.00 0.00 N ATOM 1618 CA LEU A 105 11.280 -3.233 -3.260 1.00 0.00 C ATOM 1619 C LEU A 105 12.307 -3.288 -2.134 1.00 0.00 C ATOM 1620 O LEU A 105 12.897 -4.331 -1.850 1.00 0.00 O ATOM 1621 CB LEU A 105 9.867 -3.309 -2.681 1.00 0.00 C ATOM 1622 CG LEU A 105 8.760 -3.702 -3.661 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.580 -4.308 -2.918 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.318 -2.497 -4.477 1.00 0.00 C ATOM 0 H LEU A 105 10.805 -5.066 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 105 11.399 -2.287 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.870 -4.027 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.618 -2.338 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 105 9.156 -4.453 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.802 -4.581 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.907 -5.197 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.183 -3.580 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.530 -2.795 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.940 -1.724 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.166 -2.108 -5.040 1.00 0.00 H new ATOM 1636 N PRO A 106 12.526 -2.141 -1.475 1.00 0.00 N ATOM 1637 CA PRO A 106 13.480 -2.034 -0.367 1.00 0.00 C ATOM 1638 C PRO A 106 13.006 -2.774 0.879 1.00 0.00 C ATOM 1639 O PRO A 106 11.844 -3.169 0.974 1.00 0.00 O ATOM 1640 CB PRO A 106 13.548 -0.528 -0.102 1.00 0.00 C ATOM 1641 CG PRO A 106 12.244 0.002 -0.589 1.00 0.00 C ATOM 1642 CD PRO A 106 11.858 -0.860 -1.760 1.00 0.00 C ATOM 0 HA PRO A 106 14.443 -2.481 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.689 -0.319 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.384 -0.070 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.488 -0.043 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.334 1.047 -0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.777 -0.978 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.196 -0.431 -2.703 1.00 0.00 H new ATOM 1650 N SER A 107 13.913 -2.957 1.834 1.00 0.00 N ATOM 1651 CA SER A 107 13.588 -3.652 3.074 1.00 0.00 C ATOM 1652 C SER A 107 13.237 -5.112 2.802 1.00 0.00 C ATOM 1653 O SER A 107 12.518 -5.744 3.576 1.00 0.00 O ATOM 1654 CB SER A 107 12.422 -2.959 3.781 1.00 0.00 C ATOM 1655 OG SER A 107 12.888 -1.975 4.688 1.00 0.00 O ATOM 0 H SER A 107 14.878 -2.634 1.772 1.00 0.00 H new ATOM 0 HA SER A 107 14.465 -3.621 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.768 -2.496 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.826 -3.698 4.316 1.00 0.00 H new ATOM 0 HG SER A 107 12.124 -1.545 5.126 1.00 0.00 H new ATOM 1661 N HIS A 108 13.751 -5.641 1.696 1.00 0.00 N ATOM 1662 CA HIS A 108 13.494 -7.027 1.321 1.00 0.00 C ATOM 1663 C HIS A 108 14.628 -7.577 0.461 1.00 0.00 C ATOM 1664 O HIS A 108 15.637 -6.906 0.248 1.00 0.00 O ATOM 1665 CB HIS A 108 12.168 -7.135 0.566 1.00 0.00 C ATOM 1666 CG HIS A 108 11.387 -8.369 0.901 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.494 -9.544 0.188 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.485 -8.606 1.882 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.689 -10.450 0.714 1.00 0.00 C ATOM 1670 NE2 HIS A 108 10.066 -9.907 1.744 1.00 0.00 N ATOM 0 H HIS A 108 14.347 -5.131 1.044 1.00 0.00 H new ATOM 0 HA HIS A 108 13.434 -7.619 2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.560 -6.258 0.789 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.367 -7.121 -0.506 1.00 0.00 H new ATOM 0 HD1 HIS A 108 12.100 -9.691 -0.619 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.156 -7.903 2.633 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.562 -11.463 0.361 1.00 0.00 H new ATOM 1679 N GLN A 109 14.454 -8.801 -0.027 1.00 0.00 N ATOM 1680 CA GLN A 109 15.465 -9.441 -0.861 1.00 0.00 C ATOM 1681 C GLN A 109 14.954 -9.629 -2.286 1.00 0.00 C ATOM 1682 O GLN A 109 15.529 -9.099 -3.237 1.00 0.00 O ATOM 1683 CB GLN A 109 15.866 -10.792 -0.267 1.00 0.00 C ATOM 1684 CG GLN A 109 14.743 -11.481 0.491 1.00 0.00 C ATOM 1685 CD GLN A 109 15.239 -12.612 1.369 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.186 -12.530 2.596 1.00 0.00 O ATOM 1687 NE2 GLN A 109 15.726 -13.678 0.743 1.00 0.00 N ATOM 0 H GLN A 109 13.623 -9.369 0.140 1.00 0.00 H new ATOM 0 HA GLN A 109 16.340 -8.792 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.206 -11.446 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.712 -10.647 0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.224 -10.748 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.015 -11.871 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 109 15.751 -13.704 -0.276 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.075 -14.471 1.282 1.00 0.00 H new ATOM 1696 N SER A 110 13.872 -10.389 -2.426 1.00 0.00 N ATOM 1697 CA SER A 110 13.287 -10.651 -3.736 1.00 0.00 C ATOM 1698 C SER A 110 11.770 -10.498 -3.693 1.00 0.00 C ATOM 1699 O SER A 110 11.031 -11.427 -4.022 1.00 0.00 O ATOM 1700 CB SER A 110 13.656 -12.057 -4.210 1.00 0.00 C ATOM 1701 OG SER A 110 14.997 -12.106 -4.667 1.00 0.00 O ATOM 0 H SER A 110 13.383 -10.834 -1.649 1.00 0.00 H new ATOM 0 HA SER A 110 13.689 -9.921 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.521 -12.767 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.984 -12.362 -5.012 1.00 0.00 H new ATOM 0 HG SER A 110 15.209 -13.016 -4.963 1.00 0.00 H new ATOM 1707 N LEU A 111 11.312 -9.320 -3.285 1.00 0.00 N ATOM 1708 CA LEU A 111 9.882 -9.043 -3.198 1.00 0.00 C ATOM 1709 C LEU A 111 9.455 -8.044 -4.269 1.00 0.00 C ATOM 1710 O LEU A 111 9.589 -6.832 -4.092 1.00 0.00 O ATOM 1711 CB LEU A 111 9.530 -8.502 -1.811 1.00 0.00 C ATOM 1712 CG LEU A 111 8.114 -7.951 -1.645 1.00 0.00 C ATOM 1713 CD1 LEU A 111 7.083 -9.021 -1.971 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.909 -7.424 -0.232 1.00 0.00 C ATOM 0 H LEU A 111 11.910 -8.541 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 111 9.346 -9.977 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.675 -9.301 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.238 -7.711 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 111 7.983 -7.124 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.081 -8.610 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.215 -9.352 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.213 -9.869 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.895 -7.036 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.060 -8.232 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.625 -6.626 -0.034 1.00 0.00 H new ATOM 1726 N LEU A 112 8.938 -8.560 -5.379 1.00 0.00 N ATOM 1727 CA LEU A 112 8.488 -7.713 -6.478 1.00 0.00 C ATOM 1728 C LEU A 112 6.965 -7.690 -6.560 1.00 0.00 C ATOM 1729 O LEU A 112 6.282 -8.404 -5.824 1.00 0.00 O ATOM 1730 CB LEU A 112 9.074 -8.208 -7.802 1.00 0.00 C ATOM 1731 CG LEU A 112 10.585 -8.441 -7.821 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.931 -9.629 -8.706 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.312 -7.191 -8.295 1.00 0.00 C ATOM 0 H LEU A 112 8.820 -9.560 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 112 8.838 -6.698 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.579 -9.142 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.828 -7.484 -8.579 1.00 0.00 H new ATOM 0 HG LEU A 112 10.911 -8.663 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.011 -9.780 -8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.440 -10.524 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.590 -9.436 -9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.386 -7.376 -8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.981 -6.937 -9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.090 -6.364 -7.621 1.00 0.00 H new ATOM 1745 N LEU A 113 6.439 -6.869 -7.462 1.00 0.00 N ATOM 1746 CA LEU A 113 4.995 -6.755 -7.642 1.00 0.00 C ATOM 1747 C LEU A 113 4.528 -7.588 -8.832 1.00 0.00 C ATOM 1748 O LEU A 113 4.890 -7.312 -9.976 1.00 0.00 O ATOM 1749 CB LEU A 113 4.601 -5.291 -7.844 1.00 0.00 C ATOM 1750 CG LEU A 113 5.234 -4.286 -6.881 1.00 0.00 C ATOM 1751 CD1 LEU A 113 5.109 -2.872 -7.426 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.591 -4.388 -5.506 1.00 0.00 C ATOM 0 H LEU A 113 6.990 -6.273 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 113 4.510 -7.135 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.863 -5.002 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.517 -5.212 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 113 6.293 -4.523 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.565 -2.171 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.617 -2.807 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.056 -2.623 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.054 -3.666 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.525 -4.177 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.733 -5.394 -5.111 1.00 0.00 H new ATOM 1764 N ARG A 114 3.720 -8.606 -8.553 1.00 0.00 N ATOM 1765 CA ARG A 114 3.202 -9.478 -9.600 1.00 0.00 C ATOM 1766 C ARG A 114 1.758 -9.122 -9.939 1.00 0.00 C ATOM 1767 O ARG A 114 1.444 -8.774 -11.078 1.00 0.00 O ATOM 1768 CB ARG A 114 3.289 -10.942 -9.163 1.00 0.00 C ATOM 1769 CG ARG A 114 4.708 -11.486 -9.135 1.00 0.00 C ATOM 1770 CD ARG A 114 4.860 -12.591 -8.102 1.00 0.00 C ATOM 1771 NE ARG A 114 3.870 -13.649 -8.281 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.025 -14.666 -9.120 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.125 -14.763 -9.853 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.078 -15.590 -9.227 1.00 0.00 N ATOM 0 H ARG A 114 3.410 -8.847 -7.611 1.00 0.00 H new ATOM 0 HA ARG A 114 3.812 -9.335 -10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.851 -11.043 -8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.689 -11.551 -9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.972 -11.869 -10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.404 -10.678 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.861 -13.016 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.762 -12.168 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 114 3.012 -13.604 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.855 -14.055 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.241 -15.546 -10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.230 -15.519 -8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.198 -16.371 -9.872 1.00 0.00 H new ATOM 1788 N HIS A 115 0.882 -9.212 -8.943 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.529 -8.899 -9.136 1.00 0.00 C ATOM 1790 C HIS A 115 -1.036 -7.974 -8.034 1.00 0.00 C ATOM 1791 O HIS A 115 -0.761 -8.169 -6.850 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.359 -10.183 -9.162 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.613 -11.368 -9.693 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.629 -11.732 -11.023 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.175 -12.272 -9.066 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.116 -12.810 -11.191 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.616 -13.158 -10.018 1.00 0.00 N ATOM 0 H HIS A 115 1.125 -9.499 -7.995 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.635 -8.387 -10.093 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.703 -10.404 -8.152 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.247 -10.020 -9.773 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -1.137 -11.245 -11.762 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.413 -12.293 -8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.287 -13.320 -12.127 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.794 -6.940 -8.430 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.354 -5.964 -7.492 1.00 0.00 C ATOM 1808 C PRO A 116 -3.454 -6.562 -6.621 1.00 0.00 C ATOM 1809 O PRO A 116 -3.907 -7.682 -6.859 1.00 0.00 O ATOM 1810 CB PRO A 116 -2.928 -4.880 -8.408 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.215 -5.581 -9.690 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.162 -6.645 -9.825 1.00 0.00 C ATOM 0 HA PRO A 116 -1.605 -5.596 -6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.832 -4.442 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.217 -4.066 -8.552 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.213 -6.019 -9.680 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.179 -4.888 -10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.547 -7.529 -10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.306 -6.292 -10.400 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.878 -5.809 -5.612 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.923 -6.267 -4.704 1.00 0.00 C ATOM 1822 C TYR A 117 -6.307 -5.976 -5.276 1.00 0.00 C ATOM 1823 O TYR A 117 -6.506 -4.986 -5.979 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.772 -5.594 -3.338 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.017 -5.673 -2.483 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.486 -6.894 -2.015 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.723 -4.526 -2.143 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.623 -6.970 -1.235 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.860 -4.592 -1.362 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.307 -5.817 -0.911 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.439 -5.889 -0.132 1.00 0.00 O ATOM 0 H TYR A 117 -3.514 -4.879 -5.402 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.818 -7.345 -4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.944 -6.059 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.509 -4.547 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.952 -7.799 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.377 -3.566 -2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.975 -7.928 -0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.396 -3.690 -1.106 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.800 -4.988 0.005 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.263 -6.848 -4.968 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.617 -6.668 -5.459 1.00 0.00 C ATOM 1843 C GLY A 118 -8.779 -7.128 -6.894 1.00 0.00 C ATOM 1844 O GLY A 118 -9.732 -7.835 -7.223 1.00 0.00 O ATOM 0 H GLY A 118 -7.124 -7.675 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.307 -7.222 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.890 -5.615 -5.385 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.848 -6.725 -7.752 1.00 0.00 N ATOM 1849 CA TYR A 119 -7.895 -7.097 -9.161 1.00 0.00 C ATOM 1850 C TYR A 119 -8.067 -8.604 -9.321 1.00 0.00 C ATOM 1851 O TYR A 119 -7.760 -9.377 -8.413 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.621 -6.639 -9.873 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.692 -6.761 -11.378 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.478 -5.895 -12.129 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -5.971 -7.741 -12.050 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.546 -6.004 -13.504 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.032 -7.856 -13.425 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.821 -6.985 -14.148 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.885 -7.096 -15.518 1.00 0.00 O ATOM 0 H TYR A 119 -7.052 -6.141 -7.496 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.754 -6.602 -9.613 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.421 -5.600 -9.610 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.779 -7.228 -9.508 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.045 -5.124 -11.629 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.352 -8.424 -11.487 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.164 -5.324 -14.072 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.465 -8.623 -13.931 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.315 -7.836 -15.813 1.00 0.00 H new