USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -128:sc= 0.205 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.216 USER MOD Set 2.1: A 43 TYR OH : rot 78:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -152:sc= -0.0212 (180deg=-1.43!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0.295 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.361 X(o=0.66,f=0.56) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00152 X(o=-0.0015,f=-0.027) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 78 MET CE :methyl 173:sc= -0.0112 (180deg=-0.0698) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00474 X(o=-0.0047,f=-0.48) USER MOD Single : A 86 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0.704) USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.806) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -1.876 8.611 -19.996 1.00 0.00 N ATOM 175 CA LEU A 14 -2.610 8.853 -21.241 1.00 0.00 C ATOM 176 C LEU A 14 -4.058 9.289 -20.962 1.00 0.00 C ATOM 177 O LEU A 14 -4.728 9.822 -21.850 1.00 0.00 O ATOM 178 CB LEU A 14 -2.595 7.544 -22.046 1.00 0.00 C ATOM 179 CG LEU A 14 -1.175 7.021 -22.367 1.00 0.00 C ATOM 180 CD1 LEU A 14 -1.181 5.494 -22.256 1.00 0.00 C ATOM 181 CD2 LEU A 14 -0.716 7.478 -23.759 1.00 0.00 C ATOM 0 HA LEU A 14 -2.136 9.660 -21.799 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.135 6.780 -21.488 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.135 7.698 -22.980 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.464 7.434 -21.652 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.186 5.109 -22.480 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.463 5.204 -21.244 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.898 5.080 -22.965 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.285 7.095 -23.956 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.405 7.097 -24.513 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.702 8.567 -23.798 1.00 0.00 H new ATOM 193 N LEU A 15 -4.536 9.036 -19.738 1.00 0.00 N ATOM 194 CA LEU A 15 -5.914 9.289 -19.308 1.00 0.00 C ATOM 195 C LEU A 15 -6.160 10.753 -18.907 1.00 0.00 C ATOM 196 O LEU A 15 -5.284 11.618 -18.959 1.00 0.00 O ATOM 197 CB LEU A 15 -6.304 8.336 -18.156 1.00 0.00 C ATOM 198 CG LEU A 15 -5.943 6.846 -18.328 1.00 0.00 C ATOM 199 CD1 LEU A 15 -6.517 6.052 -17.148 1.00 0.00 C ATOM 200 CD2 LEU A 15 -6.462 6.258 -19.650 1.00 0.00 C ATOM 0 H LEU A 15 -3.957 8.638 -18.999 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.552 9.092 -20.170 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.830 8.696 -17.243 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.381 8.409 -18.006 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.856 6.771 -18.352 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.266 4.998 -17.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.093 6.427 -16.217 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.601 6.166 -17.125 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.179 5.208 -19.717 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.548 6.344 -19.685 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.028 6.805 -20.487 1.00 0.00 H new ATOM 212 N SER A 16 -7.388 11.010 -18.468 1.00 0.00 N ATOM 213 CA SER A 16 -7.911 12.300 -18.033 1.00 0.00 C ATOM 214 C SER A 16 -7.985 12.404 -16.497 1.00 0.00 C ATOM 215 O SER A 16 -8.077 11.379 -15.809 1.00 0.00 O ATOM 216 CB SER A 16 -9.313 12.431 -18.635 1.00 0.00 C ATOM 217 OG SER A 16 -9.256 12.886 -19.980 1.00 0.00 O ATOM 0 H SER A 16 -8.091 10.273 -18.402 1.00 0.00 H new ATOM 0 HA SER A 16 -7.250 13.100 -18.367 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.820 11.467 -18.596 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.904 13.126 -18.038 1.00 0.00 H new ATOM 0 HG SER A 16 -10.165 12.959 -20.340 1.00 0.00 H new ATOM 223 N PRO A 17 -8.035 13.631 -15.941 1.00 0.00 N ATOM 224 CA PRO A 17 -8.125 13.877 -14.501 1.00 0.00 C ATOM 225 C PRO A 17 -9.386 13.278 -13.866 1.00 0.00 C ATOM 226 O PRO A 17 -9.370 12.937 -12.687 1.00 0.00 O ATOM 227 CB PRO A 17 -8.071 15.402 -14.345 1.00 0.00 C ATOM 228 CG PRO A 17 -8.612 15.918 -15.680 1.00 0.00 C ATOM 229 CD PRO A 17 -8.096 14.886 -16.674 1.00 0.00 C ATOM 0 HA PRO A 17 -7.307 13.386 -13.973 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.680 15.741 -13.507 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.055 15.751 -14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.701 15.972 -15.682 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.243 16.918 -15.907 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.760 14.805 -17.535 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.114 15.166 -17.054 1.00 0.00 H new ATOM 237 N GLU A 18 -10.452 13.090 -14.650 1.00 0.00 N ATOM 238 CA GLU A 18 -11.705 12.460 -14.214 1.00 0.00 C ATOM 239 C GLU A 18 -11.699 10.921 -14.306 1.00 0.00 C ATOM 240 O GLU A 18 -12.595 10.280 -13.758 1.00 0.00 O ATOM 241 CB GLU A 18 -12.898 13.080 -14.964 1.00 0.00 C ATOM 242 CG GLU A 18 -12.870 12.860 -16.483 1.00 0.00 C ATOM 243 CD GLU A 18 -14.097 13.500 -17.150 1.00 0.00 C ATOM 244 OE1 GLU A 18 -15.148 12.828 -17.274 1.00 0.00 O ATOM 245 OE2 GLU A 18 -14.016 14.684 -17.559 1.00 0.00 O ATOM 0 H GLU A 18 -10.469 13.378 -15.628 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.809 12.670 -13.149 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.821 12.661 -14.564 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.922 14.151 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.959 13.289 -16.900 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.848 11.792 -16.700 1.00 0.00 H new ATOM 252 N GLU A 19 -10.703 10.310 -14.960 1.00 0.00 N ATOM 253 CA GLU A 19 -10.513 8.856 -15.029 1.00 0.00 C ATOM 254 C GLU A 19 -9.683 8.349 -13.843 1.00 0.00 C ATOM 255 O GLU A 19 -10.072 7.423 -13.130 1.00 0.00 O ATOM 256 CB GLU A 19 -9.768 8.486 -16.321 1.00 0.00 C ATOM 257 CG GLU A 19 -10.619 8.534 -17.589 1.00 0.00 C ATOM 258 CD GLU A 19 -11.728 7.469 -17.600 1.00 0.00 C ATOM 259 OE1 GLU A 19 -11.411 6.262 -17.716 1.00 0.00 O ATOM 260 OE2 GLU A 19 -12.925 7.833 -17.516 1.00 0.00 O ATOM 0 H GLU A 19 -9.987 10.828 -15.470 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.500 8.394 -15.006 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.922 9.163 -16.442 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.359 7.481 -16.213 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.069 9.522 -17.682 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.977 8.393 -18.458 1.00 0.00 H new ATOM 267 N LEU A 20 -8.528 8.984 -13.637 1.00 0.00 N ATOM 268 CA LEU A 20 -7.528 8.639 -12.618 1.00 0.00 C ATOM 269 C LEU A 20 -8.124 8.748 -11.214 1.00 0.00 C ATOM 270 O LEU A 20 -7.998 7.834 -10.401 1.00 0.00 O ATOM 271 CB LEU A 20 -6.342 9.608 -12.750 1.00 0.00 C ATOM 272 CG LEU A 20 -5.680 9.628 -14.145 1.00 0.00 C ATOM 273 CD1 LEU A 20 -5.101 11.026 -14.373 1.00 0.00 C ATOM 274 CD2 LEU A 20 -4.615 8.532 -14.281 1.00 0.00 C ATOM 0 H LEU A 20 -8.249 9.788 -14.199 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.200 7.611 -12.770 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.684 10.615 -12.510 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.588 9.342 -12.009 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.423 9.413 -14.913 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.626 11.068 -15.353 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.902 11.764 -14.326 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.362 11.244 -13.602 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.171 8.577 -15.276 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.839 8.683 -13.530 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.077 7.556 -14.134 1.00 0.00 H new ATOM 286 N LYS A 21 -8.827 9.853 -10.949 1.00 0.00 N ATOM 287 CA LYS A 21 -9.585 10.030 -9.698 1.00 0.00 C ATOM 288 C LYS A 21 -10.730 9.005 -9.552 1.00 0.00 C ATOM 289 O LYS A 21 -10.934 8.472 -8.458 1.00 0.00 O ATOM 290 CB LYS A 21 -10.103 11.478 -9.593 1.00 0.00 C ATOM 291 CG LYS A 21 -9.102 12.476 -8.977 1.00 0.00 C ATOM 292 CD LYS A 21 -7.700 12.471 -9.610 1.00 0.00 C ATOM 293 CE LYS A 21 -6.858 13.686 -9.188 1.00 0.00 C ATOM 294 NZ LYS A 21 -6.508 13.671 -7.741 1.00 0.00 N ATOM 0 H LYS A 21 -8.889 10.646 -11.587 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.904 9.842 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.375 11.825 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.014 11.481 -8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.517 13.480 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.004 12.258 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.180 11.556 -9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.795 12.459 -10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.942 13.710 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.408 14.600 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.941 14.512 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.379 13.676 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.959 12.814 -7.525 1.00 0.00 H new ATOM 308 N ALA A 22 -11.437 8.661 -10.636 1.00 0.00 N ATOM 309 CA ALA A 22 -12.558 7.710 -10.601 1.00 0.00 C ATOM 310 C ALA A 22 -12.131 6.255 -10.326 1.00 0.00 C ATOM 311 O ALA A 22 -12.926 5.492 -9.777 1.00 0.00 O ATOM 312 CB ALA A 22 -13.372 7.823 -11.895 1.00 0.00 C ATOM 0 H ALA A 22 -11.248 9.035 -11.566 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.184 7.985 -9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.202 7.117 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.761 8.836 -11.993 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.733 7.596 -12.748 1.00 0.00 H new ATOM 391 N GLU A 29 -12.836 2.162 -1.472 1.00 0.00 N ATOM 392 CA GLU A 29 -12.034 1.156 -0.769 1.00 0.00 C ATOM 393 C GLU A 29 -10.528 1.422 -0.919 1.00 0.00 C ATOM 394 O GLU A 29 -10.125 2.401 -1.540 1.00 0.00 O ATOM 395 CB GLU A 29 -12.382 -0.234 -1.317 1.00 0.00 C ATOM 396 CG GLU A 29 -12.941 -1.180 -0.244 1.00 0.00 C ATOM 397 CD GLU A 29 -14.340 -0.754 0.228 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.329 -1.039 -0.487 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.457 -0.157 1.325 1.00 0.00 O ATOM 0 HA GLU A 29 -12.269 1.209 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.114 -0.130 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.489 -0.679 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.986 -2.194 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.262 -1.202 0.609 1.00 0.00 H new ATOM 406 N TYR A 30 -9.695 0.526 -0.376 1.00 0.00 N ATOM 407 CA TYR A 30 -8.231 0.595 -0.419 1.00 0.00 C ATOM 408 C TYR A 30 -7.569 -0.697 0.081 1.00 0.00 C ATOM 409 O TYR A 30 -8.110 -1.413 0.928 1.00 0.00 O ATOM 410 CB TYR A 30 -7.719 1.786 0.402 1.00 0.00 C ATOM 411 CG TYR A 30 -7.969 1.637 1.891 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.264 1.830 2.410 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.925 1.215 2.738 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.510 1.641 3.784 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.166 1.011 4.110 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.457 1.233 4.640 1.00 0.00 C ATOM 417 OH TYR A 30 -8.684 1.044 5.969 1.00 0.00 O ATOM 0 H TYR A 30 -10.035 -0.296 0.123 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.956 0.727 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.649 1.905 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.202 2.697 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.070 2.123 1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.938 1.048 2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.499 1.807 4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.365 0.685 4.757 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.853 0.764 6.406 1.00 0.00 H new ATOM 427 N ALA A 31 -6.369 -0.957 -0.429 1.00 0.00 N ATOM 428 CA ALA A 31 -5.508 -2.075 -0.063 1.00 0.00 C ATOM 429 C ALA A 31 -4.036 -1.719 -0.314 1.00 0.00 C ATOM 430 O ALA A 31 -3.720 -0.854 -1.131 1.00 0.00 O ATOM 431 CB ALA A 31 -5.947 -3.312 -0.862 1.00 0.00 C ATOM 0 H ALA A 31 -5.950 -0.363 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.602 -2.296 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.312 -4.159 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.984 -3.549 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.856 -3.107 -1.929 1.00 0.00 H new ATOM 437 N TRP A 32 -3.143 -2.419 0.384 1.00 0.00 N ATOM 438 CA TRP A 32 -1.696 -2.356 0.179 1.00 0.00 C ATOM 439 C TRP A 32 -1.174 -3.730 -0.245 1.00 0.00 C ATOM 440 O TRP A 32 -1.670 -4.765 0.207 1.00 0.00 O ATOM 441 CB TRP A 32 -0.996 -1.857 1.452 1.00 0.00 C ATOM 442 CG TRP A 32 -1.121 -0.392 1.734 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.256 0.257 2.075 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.078 0.634 1.680 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.998 1.604 2.224 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.666 1.889 2.029 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.304 0.634 1.375 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.080 3.076 2.082 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.055 1.824 1.428 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.448 3.041 1.782 1.00 0.00 C ATOM 0 H TRP A 32 -3.413 -3.063 1.128 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.475 -1.646 -0.618 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.397 -2.407 2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.063 -2.105 1.382 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.221 -0.209 2.211 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.707 2.302 2.451 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.789 -0.290 1.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.396 4.007 2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.109 1.801 1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.035 3.947 1.823 1.00 0.00 H new ATOM 461 N TYR A 33 -0.142 -3.735 -1.087 1.00 0.00 N ATOM 462 CA TYR A 33 0.487 -4.942 -1.630 1.00 0.00 C ATOM 463 C TYR A 33 2.017 -4.845 -1.595 1.00 0.00 C ATOM 464 O TYR A 33 2.580 -3.751 -1.626 1.00 0.00 O ATOM 465 CB TYR A 33 0.014 -5.184 -3.074 1.00 0.00 C ATOM 466 CG TYR A 33 -1.449 -5.546 -3.255 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.440 -4.544 -3.206 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.814 -6.879 -3.526 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.795 -4.875 -3.393 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.169 -7.217 -3.710 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.163 -6.215 -3.643 1.00 0.00 C ATOM 472 OH TYR A 33 -5.472 -6.541 -3.827 1.00 0.00 O ATOM 0 H TYR A 33 0.294 -2.875 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 33 0.187 -5.781 -1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.217 -4.285 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.619 -5.983 -3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.158 -3.518 -3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.054 -7.643 -3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.552 -4.106 -3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.448 -8.242 -3.902 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.550 -7.504 -3.989 1.00 0.00 H new ATOM 482 N TYR A 34 2.693 -5.994 -1.590 1.00 0.00 N ATOM 483 CA TYR A 34 4.152 -6.124 -1.657 1.00 0.00 C ATOM 484 C TYR A 34 4.569 -7.246 -2.620 1.00 0.00 C ATOM 485 O TYR A 34 3.849 -8.237 -2.758 1.00 0.00 O ATOM 486 CB TYR A 34 4.716 -6.378 -0.251 1.00 0.00 C ATOM 487 CG TYR A 34 4.335 -7.708 0.379 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.102 -7.849 1.048 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.218 -8.806 0.304 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.747 -9.080 1.634 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.872 -10.038 0.892 1.00 0.00 C ATOM 492 CZ TYR A 34 3.633 -10.177 1.560 1.00 0.00 C ATOM 493 OH TYR A 34 3.291 -11.365 2.135 1.00 0.00 O ATOM 0 H TYR A 34 2.222 -6.897 -1.537 1.00 0.00 H new ATOM 0 HA TYR A 34 4.564 -5.192 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.803 -6.317 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.380 -5.576 0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.426 -7.009 1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.164 -8.701 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.798 -9.185 2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.552 -10.875 0.833 1.00 0.00 H new ATOM 0 HH TYR A 34 4.010 -12.016 1.993 1.00 0.00 H new ATOM 503 N GLU A 35 5.720 -7.107 -3.286 1.00 0.00 N ATOM 504 CA GLU A 35 6.260 -8.170 -4.142 1.00 0.00 C ATOM 505 C GLU A 35 6.948 -9.245 -3.288 1.00 0.00 C ATOM 506 O GLU A 35 8.031 -9.020 -2.740 1.00 0.00 O ATOM 507 CB GLU A 35 7.223 -7.623 -5.208 1.00 0.00 C ATOM 508 CG GLU A 35 6.509 -6.757 -6.251 1.00 0.00 C ATOM 509 CD GLU A 35 7.344 -6.636 -7.534 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.249 -5.773 -7.600 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.111 -7.421 -8.486 1.00 0.00 O ATOM 0 H GLU A 35 6.297 -6.267 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 35 5.421 -8.621 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.002 -7.034 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.718 -8.456 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.537 -7.192 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.324 -5.765 -5.839 1.00 0.00 H new ATOM 518 N GLY A 36 6.318 -10.421 -3.196 1.00 0.00 N ATOM 519 CA GLY A 36 6.858 -11.624 -2.551 1.00 0.00 C ATOM 520 C GLY A 36 7.608 -12.523 -3.537 1.00 0.00 C ATOM 521 O GLY A 36 8.190 -12.048 -4.515 1.00 0.00 O ATOM 0 H GLY A 36 5.385 -10.567 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.531 -11.331 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.043 -12.187 -2.096 1.00 0.00 H new ATOM 525 N ARG A 37 7.605 -13.835 -3.274 1.00 0.00 N ATOM 526 CA ARG A 37 8.302 -14.841 -4.096 1.00 0.00 C ATOM 527 C ARG A 37 7.742 -14.931 -5.528 1.00 0.00 C ATOM 528 O ARG A 37 8.514 -15.011 -6.486 1.00 0.00 O ATOM 529 CB ARG A 37 8.216 -16.201 -3.375 1.00 0.00 C ATOM 530 CG ARG A 37 9.021 -17.309 -4.078 1.00 0.00 C ATOM 531 CD ARG A 37 8.932 -18.654 -3.339 1.00 0.00 C ATOM 532 NE ARG A 37 7.557 -19.194 -3.313 1.00 0.00 N ATOM 533 CZ ARG A 37 6.922 -19.826 -4.295 1.00 0.00 C ATOM 534 NH1 ARG A 37 7.482 -20.051 -5.466 1.00 0.00 N ATOM 535 NH2 ARG A 37 5.689 -20.246 -4.108 1.00 0.00 N ATOM 0 H ARG A 37 7.114 -14.237 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 37 9.344 -14.540 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.580 -16.088 -2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.171 -16.505 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.653 -17.432 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.065 -17.006 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.593 -19.374 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.289 -18.528 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 37 7.037 -19.068 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.436 -19.737 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.962 -20.540 -6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.226 -20.086 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.196 -20.732 -4.858 1.00 0.00 H new ATOM 549 N ASN A 38 6.411 -14.928 -5.668 1.00 0.00 N ATOM 550 CA ASN A 38 5.709 -15.225 -6.931 1.00 0.00 C ATOM 551 C ASN A 38 4.978 -14.027 -7.588 1.00 0.00 C ATOM 552 O ASN A 38 4.618 -14.097 -8.765 1.00 0.00 O ATOM 553 CB ASN A 38 4.770 -16.414 -6.677 1.00 0.00 C ATOM 554 CG ASN A 38 4.249 -17.055 -7.966 1.00 0.00 C ATOM 555 OD1 ASN A 38 5.006 -17.380 -8.874 1.00 0.00 O ATOM 556 ND2 ASN A 38 2.950 -17.272 -8.080 1.00 0.00 N ATOM 0 H ASN A 38 5.778 -14.716 -4.897 1.00 0.00 H new ATOM 0 HA ASN A 38 6.465 -15.475 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.298 -17.167 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.924 -16.079 -6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.578 -17.710 -8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.320 -17.002 -7.325 1.00 0.00 H new ATOM 563 N GLY A 39 4.770 -12.928 -6.853 1.00 0.00 N ATOM 564 CA GLY A 39 4.109 -11.702 -7.333 1.00 0.00 C ATOM 565 C GLY A 39 3.624 -10.794 -6.202 1.00 0.00 C ATOM 566 O GLY A 39 4.097 -10.905 -5.070 1.00 0.00 O ATOM 0 H GLY A 39 5.065 -12.862 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.803 -11.146 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.260 -11.977 -7.959 1.00 0.00 H new ATOM 570 N TRP A 40 2.686 -9.891 -6.507 1.00 0.00 N ATOM 571 CA TRP A 40 2.021 -9.039 -5.520 1.00 0.00 C ATOM 572 C TRP A 40 1.115 -9.839 -4.574 1.00 0.00 C ATOM 573 O TRP A 40 0.252 -10.599 -5.023 1.00 0.00 O ATOM 574 CB TRP A 40 1.205 -7.966 -6.251 1.00 0.00 C ATOM 575 CG TRP A 40 2.017 -7.018 -7.073 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.137 -7.048 -8.418 1.00 0.00 C ATOM 577 CD2 TRP A 40 2.849 -5.907 -6.622 1.00 0.00 C ATOM 578 NE1 TRP A 40 2.984 -6.039 -8.827 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.433 -5.283 -7.763 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.166 -5.365 -5.358 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.266 -4.158 -7.659 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.006 -4.242 -5.243 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.546 -3.630 -6.387 1.00 0.00 C ATOM 0 H TRP A 40 2.364 -9.730 -7.461 1.00 0.00 H new ATOM 0 HA TRP A 40 2.791 -8.574 -4.904 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.480 -8.459 -6.899 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.639 -7.395 -5.515 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.646 -7.753 -9.072 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.247 -5.872 -9.798 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.758 -5.818 -4.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.686 -3.704 -8.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.238 -3.846 -4.265 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.174 -2.757 -6.289 1.00 0.00 H new ATOM 594 N TRP A 41 1.267 -9.603 -3.269 1.00 0.00 N ATOM 595 CA TRP A 41 0.460 -10.194 -2.195 1.00 0.00 C ATOM 596 C TRP A 41 -0.031 -9.099 -1.241 1.00 0.00 C ATOM 597 O TRP A 41 0.684 -8.129 -0.983 1.00 0.00 O ATOM 598 CB TRP A 41 1.289 -11.268 -1.477 1.00 0.00 C ATOM 599 CG TRP A 41 1.704 -12.390 -2.378 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.974 -12.727 -2.692 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.852 -13.258 -3.186 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.971 -13.723 -3.650 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.686 -14.057 -4.023 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.543 -13.415 -3.331 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.160 -14.939 -4.979 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.081 -14.298 -4.282 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.235 -15.059 -5.109 1.00 0.00 C ATOM 0 H TRP A 41 1.984 -8.970 -2.916 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.427 -10.675 -2.608 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.179 -10.806 -1.049 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.709 -11.672 -0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.859 -12.284 -2.259 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.812 -14.156 -4.032 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.209 -12.846 -2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.819 -15.519 -5.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.152 -14.393 -4.379 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.655 -15.733 -5.841 1.00 0.00 H new ATOM 618 N GLN A 42 -1.274 -9.217 -0.768 1.00 0.00 N ATOM 619 CA GLN A 42 -1.946 -8.171 0.007 1.00 0.00 C ATOM 620 C GLN A 42 -1.534 -8.228 1.489 1.00 0.00 C ATOM 621 O GLN A 42 -1.452 -9.306 2.081 1.00 0.00 O ATOM 622 CB GLN A 42 -3.470 -8.323 -0.166 1.00 0.00 C ATOM 623 CG GLN A 42 -4.237 -7.045 0.206 1.00 0.00 C ATOM 624 CD GLN A 42 -5.752 -7.263 0.183 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.383 -7.561 1.189 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.402 -7.138 -0.957 1.00 0.00 N ATOM 0 H GLN A 42 -1.847 -10.048 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.643 -7.192 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.690 -8.586 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.822 -9.147 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.933 -6.715 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.974 -6.248 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.897 -6.890 -1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.410 -7.289 -0.988 1.00 0.00 H new ATOM 635 N TYR A 43 -1.308 -7.063 2.102 1.00 0.00 N ATOM 636 CA TYR A 43 -1.121 -6.929 3.555 1.00 0.00 C ATOM 637 C TYR A 43 -2.403 -7.259 4.351 1.00 0.00 C ATOM 638 O TYR A 43 -3.524 -7.086 3.863 1.00 0.00 O ATOM 639 CB TYR A 43 -0.655 -5.502 3.878 1.00 0.00 C ATOM 640 CG TYR A 43 0.814 -5.237 3.618 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.769 -5.573 4.592 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.223 -4.622 2.420 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.130 -5.292 4.374 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.578 -4.329 2.195 1.00 0.00 C ATOM 645 CZ TYR A 43 3.538 -4.672 3.171 1.00 0.00 C ATOM 646 OH TYR A 43 4.856 -4.431 2.934 1.00 0.00 O ATOM 0 H TYR A 43 -1.249 -6.176 1.602 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.364 -7.652 3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.246 -4.800 3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.867 -5.295 4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.457 -6.048 5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.489 -4.373 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.862 -5.550 5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.884 -3.844 1.280 1.00 0.00 H new ATOM 0 HH TYR A 43 5.295 -5.261 2.652 1.00 0.00 H new ATOM 656 N ASP A 44 -2.241 -7.695 5.605 1.00 0.00 N ATOM 657 CA ASP A 44 -3.348 -7.903 6.549 1.00 0.00 C ATOM 658 C ASP A 44 -4.062 -6.583 6.890 1.00 0.00 C ATOM 659 O ASP A 44 -3.436 -5.524 6.905 1.00 0.00 O ATOM 660 CB ASP A 44 -2.804 -8.568 7.819 1.00 0.00 C ATOM 661 CG ASP A 44 -3.916 -8.866 8.832 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.596 -9.909 8.688 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.129 -8.025 9.731 1.00 0.00 O ATOM 0 H ASP A 44 -1.327 -7.916 5.999 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.088 -8.553 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.297 -9.496 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.060 -7.918 8.278 1.00 0.00 H new ATOM 668 N GLU A 45 -5.362 -6.641 7.201 1.00 0.00 N ATOM 669 CA GLU A 45 -6.190 -5.450 7.440 1.00 0.00 C ATOM 670 C GLU A 45 -5.770 -4.641 8.677 1.00 0.00 C ATOM 671 O GLU A 45 -6.003 -3.431 8.725 1.00 0.00 O ATOM 672 CB GLU A 45 -7.684 -5.815 7.519 1.00 0.00 C ATOM 673 CG GLU A 45 -8.023 -6.881 8.575 1.00 0.00 C ATOM 674 CD GLU A 45 -9.436 -6.672 9.142 1.00 0.00 C ATOM 675 OE1 GLU A 45 -9.578 -5.907 10.125 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.402 -7.272 8.612 1.00 0.00 O ATOM 0 H GLU A 45 -5.873 -7.519 7.295 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.024 -4.803 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.255 -4.912 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.010 -6.172 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.950 -7.873 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.294 -6.840 9.384 1.00 0.00 H new ATOM 683 N ARG A 46 -5.107 -5.269 9.657 1.00 0.00 N ATOM 684 CA ARG A 46 -4.573 -4.585 10.839 1.00 0.00 C ATOM 685 C ARG A 46 -3.203 -3.946 10.559 1.00 0.00 C ATOM 686 O ARG A 46 -2.774 -3.072 11.317 1.00 0.00 O ATOM 687 CB ARG A 46 -4.473 -5.547 12.035 1.00 0.00 C ATOM 688 CG ARG A 46 -5.716 -6.408 12.347 1.00 0.00 C ATOM 689 CD ARG A 46 -7.085 -5.734 12.178 1.00 0.00 C ATOM 690 NE ARG A 46 -7.266 -4.553 13.036 1.00 0.00 N ATOM 691 CZ ARG A 46 -8.271 -3.689 12.932 1.00 0.00 C ATOM 692 NH1 ARG A 46 -9.228 -3.829 12.036 1.00 0.00 N ATOM 693 NH2 ARG A 46 -8.327 -2.655 13.745 1.00 0.00 N ATOM 0 H ARG A 46 -4.926 -6.273 9.651 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.272 -3.786 11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.631 -6.217 11.861 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.235 -4.961 12.923 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.689 -7.288 11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.636 -6.761 13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.210 -5.439 11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.868 -6.459 12.401 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.571 -4.385 13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.213 -4.621 11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.984 -3.146 11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.602 -2.520 14.450 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.096 -1.989 13.670 1.00 0.00 H new ATOM 707 N THR A 47 -2.536 -4.354 9.470 1.00 0.00 N ATOM 708 CA THR A 47 -1.237 -3.834 9.018 1.00 0.00 C ATOM 709 C THR A 47 -1.402 -2.751 7.963 1.00 0.00 C ATOM 710 O THR A 47 -0.874 -1.657 8.129 1.00 0.00 O ATOM 711 CB THR A 47 -0.350 -4.978 8.515 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.210 -5.909 9.567 1.00 0.00 O ATOM 713 CG2 THR A 47 1.040 -4.478 8.130 1.00 0.00 C ATOM 0 H THR A 47 -2.900 -5.083 8.856 1.00 0.00 H new ATOM 0 HA THR A 47 -0.743 -3.370 9.872 1.00 0.00 H new ATOM 0 HB THR A 47 -0.812 -5.423 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.353 -6.655 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.643 -5.315 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.953 -3.735 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.518 -4.027 8.999 1.00 0.00 H new ATOM 721 N SER A 48 -2.166 -3.000 6.902 1.00 0.00 N ATOM 722 CA SER A 48 -2.346 -2.051 5.790 1.00 0.00 C ATOM 723 C SER A 48 -2.975 -0.725 6.229 1.00 0.00 C ATOM 724 O SER A 48 -2.623 0.334 5.704 1.00 0.00 O ATOM 725 CB SER A 48 -3.192 -2.683 4.679 1.00 0.00 C ATOM 726 OG SER A 48 -4.501 -3.002 5.129 1.00 0.00 O ATOM 0 H SER A 48 -2.684 -3.870 6.783 1.00 0.00 H new ATOM 0 HA SER A 48 -1.348 -1.824 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.255 -1.996 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.701 -3.587 4.318 1.00 0.00 H new ATOM 0 HG SER A 48 -5.011 -3.401 4.394 1.00 0.00 H new ATOM 732 N ARG A 49 -3.821 -0.755 7.266 1.00 0.00 N ATOM 733 CA ARG A 49 -4.397 0.445 7.871 1.00 0.00 C ATOM 734 C ARG A 49 -3.339 1.367 8.493 1.00 0.00 C ATOM 735 O ARG A 49 -3.568 2.570 8.584 1.00 0.00 O ATOM 736 CB ARG A 49 -5.498 0.041 8.867 1.00 0.00 C ATOM 737 CG ARG A 49 -4.991 -0.579 10.186 1.00 0.00 C ATOM 738 CD ARG A 49 -4.548 0.407 11.283 1.00 0.00 C ATOM 739 NE ARG A 49 -5.557 1.447 11.547 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.297 2.747 11.667 1.00 0.00 C ATOM 741 NH1 ARG A 49 -4.090 3.214 11.879 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.260 3.633 11.560 1.00 0.00 N ATOM 0 H ARG A 49 -4.125 -1.621 7.710 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.852 1.042 7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.094 0.922 9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.163 -0.672 8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.782 -1.209 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.150 -1.232 9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.349 -0.143 12.203 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.612 0.880 10.985 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.527 1.149 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.301 2.572 11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.940 4.219 11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.217 3.327 11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.051 4.627 11.653 1.00 0.00 H new ATOM 756 N GLU A 50 -2.183 0.829 8.903 1.00 0.00 N ATOM 757 CA GLU A 50 -1.093 1.631 9.483 1.00 0.00 C ATOM 758 C GLU A 50 -0.345 2.374 8.366 1.00 0.00 C ATOM 759 O GLU A 50 -0.013 3.553 8.495 1.00 0.00 O ATOM 760 CB GLU A 50 -0.096 0.747 10.258 1.00 0.00 C ATOM 761 CG GLU A 50 -0.701 -0.056 11.419 1.00 0.00 C ATOM 762 CD GLU A 50 -0.963 0.822 12.651 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.919 1.633 12.624 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.220 0.703 13.655 1.00 0.00 O ATOM 0 H GLU A 50 -1.976 -0.168 8.844 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.535 2.344 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.368 0.051 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.698 1.381 10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.636 -0.514 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.025 -0.868 11.689 1.00 0.00 H new ATOM 771 N LEU A 51 -0.140 1.687 7.237 1.00 0.00 N ATOM 772 CA LEU A 51 0.483 2.214 6.025 1.00 0.00 C ATOM 773 C LEU A 51 -0.392 3.309 5.398 1.00 0.00 C ATOM 774 O LEU A 51 0.101 4.388 5.061 1.00 0.00 O ATOM 775 CB LEU A 51 0.715 1.048 5.039 1.00 0.00 C ATOM 776 CG LEU A 51 1.392 -0.212 5.617 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.485 -1.302 4.544 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.778 0.109 6.174 1.00 0.00 C ATOM 0 H LEU A 51 -0.416 0.710 7.142 1.00 0.00 H new ATOM 0 HA LEU A 51 1.442 2.670 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.249 0.757 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.324 1.415 4.213 1.00 0.00 H new ATOM 0 HG LEU A 51 0.779 -0.578 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.965 -2.186 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.483 -1.561 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.073 -0.935 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.229 -0.799 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.407 0.506 5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.688 0.850 6.969 1.00 0.00 H new ATOM 790 N GLU A 52 -1.702 3.053 5.319 1.00 0.00 N ATOM 791 CA GLU A 52 -2.718 3.993 4.844 1.00 0.00 C ATOM 792 C GLU A 52 -2.818 5.257 5.721 1.00 0.00 C ATOM 793 O GLU A 52 -3.124 6.338 5.216 1.00 0.00 O ATOM 794 CB GLU A 52 -4.075 3.265 4.801 1.00 0.00 C ATOM 795 CG GLU A 52 -5.189 4.032 4.072 1.00 0.00 C ATOM 796 CD GLU A 52 -5.028 4.076 2.544 1.00 0.00 C ATOM 797 OE1 GLU A 52 -4.061 3.507 1.987 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.879 4.707 1.877 1.00 0.00 O ATOM 0 H GLU A 52 -2.096 2.153 5.594 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.429 4.332 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.939 2.299 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.398 3.065 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.148 3.573 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.221 5.053 4.452 1.00 0.00 H new ATOM 805 N ASP A 53 -2.526 5.158 7.022 1.00 0.00 N ATOM 806 CA ASP A 53 -2.569 6.298 7.940 1.00 0.00 C ATOM 807 C ASP A 53 -1.286 7.133 7.854 1.00 0.00 C ATOM 808 O ASP A 53 -1.333 8.339 8.058 1.00 0.00 O ATOM 809 CB ASP A 53 -2.798 5.818 9.389 1.00 0.00 C ATOM 810 CG ASP A 53 -4.260 5.894 9.870 1.00 0.00 C ATOM 811 OD1 ASP A 53 -5.207 5.938 9.049 1.00 0.00 O ATOM 812 OD2 ASP A 53 -4.458 5.903 11.110 1.00 0.00 O ATOM 0 H ASP A 53 -2.253 4.282 7.468 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.404 6.932 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.455 4.787 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.179 6.416 10.057 1.00 0.00 H new ATOM 817 N ALA A 54 -0.145 6.527 7.528 1.00 0.00 N ATOM 818 CA ALA A 54 1.162 7.183 7.557 1.00 0.00 C ATOM 819 C ALA A 54 1.322 8.281 6.491 1.00 0.00 C ATOM 820 O ALA A 54 1.729 9.395 6.833 1.00 0.00 O ATOM 821 CB ALA A 54 2.219 6.085 7.465 1.00 0.00 C ATOM 0 H ALA A 54 -0.102 5.552 7.232 1.00 0.00 H new ATOM 0 HA ALA A 54 1.280 7.732 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.212 6.534 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.112 5.405 8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.088 5.531 6.535 1.00 0.00 H new ATOM 827 N PHE A 55 0.925 8.023 5.239 1.00 0.00 N ATOM 828 CA PHE A 55 0.935 9.052 4.187 1.00 0.00 C ATOM 829 C PHE A 55 -0.157 10.116 4.411 1.00 0.00 C ATOM 830 O PHE A 55 -0.074 11.225 3.885 1.00 0.00 O ATOM 831 CB PHE A 55 0.857 8.414 2.788 1.00 0.00 C ATOM 832 CG PHE A 55 -0.536 8.187 2.237 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.243 7.016 2.559 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.119 9.145 1.383 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.524 6.801 2.020 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.401 8.929 0.847 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.105 7.753 1.164 1.00 0.00 C ATOM 0 H PHE A 55 0.592 7.110 4.928 1.00 0.00 H new ATOM 0 HA PHE A 55 1.888 9.578 4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.403 9.049 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.375 7.455 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.804 6.283 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.579 10.048 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.065 5.899 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.845 9.665 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.088 7.582 0.751 1.00 0.00 H new ATOM 847 N SER A 56 -1.156 9.786 5.230 1.00 0.00 N ATOM 848 CA SER A 56 -2.232 10.697 5.649 1.00 0.00 C ATOM 849 C SER A 56 -1.815 11.594 6.836 1.00 0.00 C ATOM 850 O SER A 56 -2.211 12.760 6.915 1.00 0.00 O ATOM 851 CB SER A 56 -3.480 9.870 5.991 1.00 0.00 C ATOM 852 OG SER A 56 -4.651 10.678 5.987 1.00 0.00 O ATOM 0 H SER A 56 -1.245 8.853 5.633 1.00 0.00 H new ATOM 0 HA SER A 56 -2.453 11.373 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.592 9.060 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.357 9.409 6.971 1.00 0.00 H new ATOM 0 HG SER A 56 -5.430 10.126 6.206 1.00 0.00 H new ATOM 858 N LYS A 57 -0.952 11.091 7.732 1.00 0.00 N ATOM 859 CA LYS A 57 -0.366 11.842 8.852 1.00 0.00 C ATOM 860 C LYS A 57 0.697 12.841 8.373 1.00 0.00 C ATOM 861 O LYS A 57 0.741 13.978 8.850 1.00 0.00 O ATOM 862 CB LYS A 57 0.270 10.848 9.838 1.00 0.00 C ATOM 863 CG LYS A 57 -0.749 10.108 10.722 1.00 0.00 C ATOM 864 CD LYS A 57 -0.183 8.766 11.211 1.00 0.00 C ATOM 865 CE LYS A 57 1.168 8.886 11.936 1.00 0.00 C ATOM 866 NZ LYS A 57 0.998 9.168 13.387 1.00 0.00 N ATOM 0 H LYS A 57 -0.634 10.123 7.696 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.160 12.410 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.849 10.115 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.970 11.384 10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.012 10.729 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.667 9.936 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.905 8.302 11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.068 8.099 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.731 7.961 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.756 9.682 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.932 9.241 13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.483 10.064 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.459 8.396 13.830 1.00 0.00 H new ATOM 880 N GLY A 58 1.551 12.410 7.431 1.00 0.00 N ATOM 881 CA GLY A 58 2.625 13.214 6.840 1.00 0.00 C ATOM 882 C GLY A 58 4.013 12.595 6.979 1.00 0.00 C ATOM 883 O GLY A 58 4.961 13.128 6.402 1.00 0.00 O ATOM 0 H GLY A 58 1.509 11.465 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.411 13.366 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.629 14.198 7.309 1.00 0.00 H new ATOM 887 N LYS A 59 4.163 11.491 7.726 1.00 0.00 N ATOM 888 CA LYS A 59 5.441 10.780 7.801 1.00 0.00 C ATOM 889 C LYS A 59 5.847 10.148 6.457 1.00 0.00 C ATOM 890 O LYS A 59 5.018 9.761 5.631 1.00 0.00 O ATOM 891 CB LYS A 59 5.454 9.756 8.954 1.00 0.00 C ATOM 892 CG LYS A 59 4.212 8.860 9.006 1.00 0.00 C ATOM 893 CD LYS A 59 4.433 7.597 9.848 1.00 0.00 C ATOM 894 CE LYS A 59 4.898 7.867 11.288 1.00 0.00 C ATOM 895 NZ LYS A 59 5.195 6.600 12.009 1.00 0.00 N ATOM 0 H LYS A 59 3.417 11.075 8.283 1.00 0.00 H new ATOM 0 HA LYS A 59 6.203 11.527 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.339 9.127 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.544 10.290 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.377 9.426 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.933 8.573 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.503 7.029 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.173 6.969 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.788 8.496 11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.126 8.420 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.681 6.586 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.896 5.791 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.217 6.536 12.191 1.00 0.00 H new ATOM 909 N LYS A 60 7.161 10.019 6.268 1.00 0.00 N ATOM 910 CA LYS A 60 7.799 9.536 5.031 1.00 0.00 C ATOM 911 C LYS A 60 8.133 8.031 5.065 1.00 0.00 C ATOM 912 O LYS A 60 8.572 7.452 4.072 1.00 0.00 O ATOM 913 CB LYS A 60 9.009 10.450 4.739 1.00 0.00 C ATOM 914 CG LYS A 60 10.260 10.200 5.591 1.00 0.00 C ATOM 915 CD LYS A 60 11.324 11.273 5.320 1.00 0.00 C ATOM 916 CE LYS A 60 12.560 11.032 6.195 1.00 0.00 C ATOM 917 NZ LYS A 60 13.590 12.085 5.992 1.00 0.00 N ATOM 0 H LYS A 60 7.838 10.255 6.994 1.00 0.00 H new ATOM 0 HA LYS A 60 7.098 9.606 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.280 10.337 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.699 11.486 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.993 10.204 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.666 9.213 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.607 11.256 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.913 12.262 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.265 11.009 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.986 10.056 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.411 11.889 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.890 12.090 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.191 13.013 6.238 1.00 0.00 H new ATOM 931 N ASN A 61 7.911 7.392 6.218 1.00 0.00 N ATOM 932 CA ASN A 61 8.137 5.968 6.485 1.00 0.00 C ATOM 933 C ASN A 61 7.493 5.584 7.823 1.00 0.00 C ATOM 934 O ASN A 61 7.509 6.380 8.767 1.00 0.00 O ATOM 935 CB ASN A 61 9.634 5.591 6.474 1.00 0.00 C ATOM 936 CG ASN A 61 10.421 6.188 7.636 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.660 7.482 7.582 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.804 5.510 8.581 1.00 0.00 N flip ATOM 0 H ASN A 61 7.548 7.882 7.036 1.00 0.00 H new ATOM 0 HA ASN A 61 7.669 5.405 5.678 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.727 4.505 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.078 5.925 5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.608 4.509 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.319 5.946 9.346 1.00 0.00 H new ATOM 945 N THR A 62 6.938 4.373 7.905 1.00 0.00 N ATOM 946 CA THR A 62 6.339 3.818 9.134 1.00 0.00 C ATOM 947 C THR A 62 6.819 2.394 9.423 1.00 0.00 C ATOM 948 O THR A 62 7.521 1.800 8.614 1.00 0.00 O ATOM 949 CB THR A 62 4.816 3.978 9.100 1.00 0.00 C ATOM 950 OG1 THR A 62 4.364 3.956 10.434 1.00 0.00 O ATOM 951 CG2 THR A 62 4.097 2.904 8.281 1.00 0.00 C ATOM 0 H THR A 62 6.888 3.736 7.110 1.00 0.00 H new ATOM 0 HA THR A 62 6.691 4.395 9.989 1.00 0.00 H new ATOM 0 HB THR A 62 4.583 4.920 8.603 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.389 4.058 10.451 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.023 3.086 8.305 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.447 2.938 7.249 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.308 1.922 8.704 1.00 0.00 H new ATOM 959 N GLU A 63 6.467 1.862 10.589 1.00 0.00 N ATOM 960 CA GLU A 63 6.925 0.575 11.124 1.00 0.00 C ATOM 961 C GLU A 63 5.747 -0.376 11.370 1.00 0.00 C ATOM 962 O GLU A 63 4.651 0.046 11.750 1.00 0.00 O ATOM 963 CB GLU A 63 7.683 0.816 12.438 1.00 0.00 C ATOM 964 CG GLU A 63 9.073 1.414 12.181 1.00 0.00 C ATOM 965 CD GLU A 63 9.857 1.766 13.457 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.290 1.782 14.574 1.00 0.00 O ATOM 967 OE2 GLU A 63 11.076 2.040 13.337 1.00 0.00 O ATOM 0 H GLU A 63 5.823 2.337 11.221 1.00 0.00 H new ATOM 0 HA GLU A 63 7.585 0.109 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.108 1.489 13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.784 -0.125 12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.657 0.706 11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.962 2.314 11.577 1.00 0.00 H new ATOM 974 N MET A 64 5.990 -1.674 11.169 1.00 0.00 N ATOM 975 CA MET A 64 4.977 -2.735 11.219 1.00 0.00 C ATOM 976 C MET A 64 5.569 -4.088 11.629 1.00 0.00 C ATOM 977 O MET A 64 6.716 -4.408 11.311 1.00 0.00 O ATOM 978 CB MET A 64 4.256 -2.849 9.863 1.00 0.00 C ATOM 979 CG MET A 64 5.236 -2.977 8.689 1.00 0.00 C ATOM 980 SD MET A 64 4.482 -3.359 7.095 1.00 0.00 S ATOM 981 CE MET A 64 5.996 -3.778 6.200 1.00 0.00 C ATOM 0 H MET A 64 6.924 -2.027 10.961 1.00 0.00 H new ATOM 0 HA MET A 64 4.255 -2.457 11.987 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.595 -3.716 9.878 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.627 -1.971 9.714 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.790 -2.043 8.596 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.961 -3.756 8.925 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.862 -3.566 5.139 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.824 -3.184 6.587 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.216 -4.837 6.333 1.00 0.00 H new ATOM 991 N LEU A 65 4.759 -4.888 12.324 1.00 0.00 N ATOM 992 CA LEU A 65 5.081 -6.236 12.788 1.00 0.00 C ATOM 993 C LEU A 65 4.407 -7.279 11.890 1.00 0.00 C ATOM 994 O LEU A 65 3.272 -7.101 11.446 1.00 0.00 O ATOM 995 CB LEU A 65 4.630 -6.381 14.260 1.00 0.00 C ATOM 996 CG LEU A 65 5.620 -7.075 15.214 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.975 -8.513 14.829 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.889 -6.234 15.366 1.00 0.00 C ATOM 0 H LEU A 65 3.818 -4.599 12.590 1.00 0.00 H new ATOM 0 HA LEU A 65 6.157 -6.403 12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.418 -5.386 14.652 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.692 -6.937 14.277 1.00 0.00 H new ATOM 0 HG LEU A 65 5.102 -7.150 16.170 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.677 -8.922 15.556 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.070 -9.120 14.817 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.431 -8.523 13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.580 -6.737 16.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.362 -6.110 14.392 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.631 -5.256 15.772 1.00 0.00 H new ATOM 1010 N ILE A 66 5.113 -8.379 11.649 1.00 0.00 N ATOM 1011 CA ILE A 66 4.667 -9.506 10.804 1.00 0.00 C ATOM 1012 C ILE A 66 4.670 -10.841 11.577 1.00 0.00 C ATOM 1013 O ILE A 66 4.517 -10.853 12.798 1.00 0.00 O ATOM 1014 CB ILE A 66 5.465 -9.524 9.482 1.00 0.00 C ATOM 1015 CG1 ILE A 66 6.959 -9.855 9.705 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.281 -8.193 8.726 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.403 -11.103 8.939 1.00 0.00 C ATOM 0 H ILE A 66 6.042 -8.525 12.044 1.00 0.00 H new ATOM 0 HA ILE A 66 3.623 -9.361 10.528 1.00 0.00 H new ATOM 0 HB ILE A 66 5.064 -10.327 8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.567 -9.006 9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.140 -10.002 10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.849 -8.221 7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.225 -8.045 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.639 -7.370 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.460 -11.291 9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.817 -11.960 9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.250 -10.948 7.871 1.00 0.00 H new ATOM 1029 N ALA A 67 4.857 -11.976 10.893 1.00 0.00 N ATOM 1030 CA ALA A 67 4.916 -13.320 11.481 1.00 0.00 C ATOM 1031 C ALA A 67 6.027 -13.538 12.535 1.00 0.00 C ATOM 1032 O ALA A 67 5.956 -14.502 13.302 1.00 0.00 O ATOM 1033 CB ALA A 67 5.104 -14.304 10.320 1.00 0.00 C ATOM 0 H ALA A 67 4.976 -11.984 9.880 1.00 0.00 H new ATOM 0 HA ALA A 67 3.989 -13.474 12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.154 -15.321 10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.263 -14.220 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.029 -14.072 9.792 1.00 0.00 H new ATOM 1039 N GLY A 68 7.041 -12.663 12.587 1.00 0.00 N ATOM 1040 CA GLY A 68 8.158 -12.759 13.540 1.00 0.00 C ATOM 1041 C GLY A 68 9.225 -11.660 13.460 1.00 0.00 C ATOM 1042 O GLY A 68 10.314 -11.851 14.001 1.00 0.00 O ATOM 0 H GLY A 68 7.110 -11.860 11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.746 -12.761 14.549 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.649 -13.721 13.394 1.00 0.00 H new ATOM 1046 N PHE A 69 8.944 -10.535 12.787 1.00 0.00 N ATOM 1047 CA PHE A 69 9.926 -9.496 12.448 1.00 0.00 C ATOM 1048 C PHE A 69 9.294 -8.099 12.374 1.00 0.00 C ATOM 1049 O PHE A 69 8.112 -7.954 12.050 1.00 0.00 O ATOM 1050 CB PHE A 69 10.592 -9.827 11.096 1.00 0.00 C ATOM 1051 CG PHE A 69 11.407 -11.106 11.055 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.718 -11.113 11.566 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.871 -12.284 10.494 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.498 -12.281 11.500 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.652 -13.452 10.428 1.00 0.00 C ATOM 1056 CZ PHE A 69 12.966 -13.450 10.928 1.00 0.00 C ATOM 0 H PHE A 69 8.004 -10.317 12.455 1.00 0.00 H new ATOM 0 HA PHE A 69 10.670 -9.483 13.244 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.814 -9.890 10.335 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.241 -8.996 10.820 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.127 -10.218 12.011 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.860 -12.289 10.115 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.506 -12.280 11.889 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.242 -14.351 9.993 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.566 -14.346 10.873 1.00 0.00 H new ATOM 1066 N LEU A 70 10.105 -7.068 12.632 1.00 0.00 N ATOM 1067 CA LEU A 70 9.764 -5.663 12.401 1.00 0.00 C ATOM 1068 C LEU A 70 10.276 -5.271 11.010 1.00 0.00 C ATOM 1069 O LEU A 70 11.467 -5.387 10.714 1.00 0.00 O ATOM 1070 CB LEU A 70 10.397 -4.805 13.519 1.00 0.00 C ATOM 1071 CG LEU A 70 9.896 -3.355 13.716 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.973 -2.470 12.467 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.473 -3.299 14.285 1.00 0.00 C ATOM 0 H LEU A 70 11.041 -7.192 13.017 1.00 0.00 H new ATOM 0 HA LEU A 70 8.687 -5.499 12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.256 -5.334 14.461 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.470 -4.762 13.335 1.00 0.00 H new ATOM 0 HG LEU A 70 10.599 -2.944 14.441 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.600 -1.473 12.704 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.008 -2.401 12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.365 -2.906 11.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.169 -2.259 14.404 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.788 -3.801 13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.449 -3.797 15.254 1.00 0.00 H new ATOM 1085 N TYR A 71 9.373 -4.769 10.175 1.00 0.00 N ATOM 1086 CA TYR A 71 9.678 -4.172 8.871 1.00 0.00 C ATOM 1087 C TYR A 71 9.338 -2.674 8.850 1.00 0.00 C ATOM 1088 O TYR A 71 8.285 -2.250 9.324 1.00 0.00 O ATOM 1089 CB TYR A 71 8.943 -4.927 7.751 1.00 0.00 C ATOM 1090 CG TYR A 71 9.361 -6.370 7.509 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.715 -6.761 7.546 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.377 -7.334 7.213 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.070 -8.108 7.348 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.722 -8.683 7.040 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.075 -9.079 7.110 1.00 0.00 C ATOM 1096 OH TYR A 71 10.441 -10.381 6.959 1.00 0.00 O ATOM 0 H TYR A 71 8.376 -4.764 10.390 1.00 0.00 H new ATOM 0 HA TYR A 71 10.750 -4.263 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.877 -4.915 7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.079 -4.373 6.822 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.483 -6.024 7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.345 -7.031 7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.109 -8.400 7.378 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.953 -9.418 6.853 1.00 0.00 H new ATOM 0 HH TYR A 71 9.644 -10.929 6.803 1.00 0.00 H new ATOM 1106 N VAL A 72 10.238 -1.880 8.272 1.00 0.00 N ATOM 1107 CA VAL A 72 10.039 -0.461 7.968 1.00 0.00 C ATOM 1108 C VAL A 72 9.457 -0.378 6.560 1.00 0.00 C ATOM 1109 O VAL A 72 10.070 -0.871 5.616 1.00 0.00 O ATOM 1110 CB VAL A 72 11.354 0.349 8.028 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.084 1.858 7.913 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.137 0.080 9.319 1.00 0.00 C ATOM 0 H VAL A 72 11.159 -2.218 7.992 1.00 0.00 H new ATOM 0 HA VAL A 72 9.371 -0.030 8.714 1.00 0.00 H new ATOM 0 HB VAL A 72 11.955 0.020 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.028 2.401 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.590 2.068 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.442 2.176 8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.054 0.670 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.527 0.358 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.387 -0.979 9.379 1.00 0.00 H new ATOM 1122 N ALA A 73 8.287 0.236 6.425 1.00 0.00 N ATOM 1123 CA ALA A 73 7.682 0.588 5.148 1.00 0.00 C ATOM 1124 C ALA A 73 8.039 2.044 4.819 1.00 0.00 C ATOM 1125 O ALA A 73 7.561 2.973 5.467 1.00 0.00 O ATOM 1126 CB ALA A 73 6.171 0.354 5.245 1.00 0.00 C ATOM 0 H ALA A 73 7.717 0.510 7.225 1.00 0.00 H new ATOM 0 HA ALA A 73 8.061 -0.032 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.701 0.613 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.979 -0.695 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.756 0.977 6.037 1.00 0.00 H new ATOM 1132 N ASP A 74 8.896 2.244 3.820 1.00 0.00 N ATOM 1133 CA ASP A 74 9.265 3.554 3.291 1.00 0.00 C ATOM 1134 C ASP A 74 8.263 3.984 2.214 1.00 0.00 C ATOM 1135 O ASP A 74 8.073 3.285 1.214 1.00 0.00 O ATOM 1136 CB ASP A 74 10.696 3.510 2.748 1.00 0.00 C ATOM 1137 CG ASP A 74 11.154 4.898 2.281 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.843 5.259 1.123 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.795 5.623 3.075 1.00 0.00 O ATOM 0 H ASP A 74 9.367 1.475 3.342 1.00 0.00 H new ATOM 0 HA ASP A 74 9.233 4.295 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.370 3.143 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.751 2.807 1.917 1.00 0.00 H new ATOM 1144 N LEU A 75 7.626 5.137 2.437 1.00 0.00 N ATOM 1145 CA LEU A 75 6.530 5.665 1.618 1.00 0.00 C ATOM 1146 C LEU A 75 7.032 6.534 0.445 1.00 0.00 C ATOM 1147 O LEU A 75 6.264 6.811 -0.474 1.00 0.00 O ATOM 1148 CB LEU A 75 5.571 6.459 2.537 1.00 0.00 C ATOM 1149 CG LEU A 75 4.519 5.648 3.327 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.035 4.498 4.197 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.718 6.611 4.214 1.00 0.00 C ATOM 0 H LEU A 75 7.866 5.748 3.217 1.00 0.00 H new ATOM 0 HA LEU A 75 6.001 4.829 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.174 7.018 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.044 7.190 1.924 1.00 0.00 H new ATOM 0 HG LEU A 75 3.919 5.162 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.195 4.014 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.553 3.772 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.724 4.889 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.972 6.051 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.393 7.114 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.220 7.352 3.589 1.00 0.00 H new ATOM 1163 N GLU A 76 8.309 6.937 0.445 1.00 0.00 N ATOM 1164 CA GLU A 76 8.910 7.821 -0.567 1.00 0.00 C ATOM 1165 C GLU A 76 9.425 7.046 -1.787 1.00 0.00 C ATOM 1166 O GLU A 76 9.252 7.464 -2.932 1.00 0.00 O ATOM 1167 CB GLU A 76 10.092 8.579 0.054 1.00 0.00 C ATOM 1168 CG GLU A 76 9.703 9.524 1.191 1.00 0.00 C ATOM 1169 CD GLU A 76 8.810 10.679 0.712 1.00 0.00 C ATOM 1170 OE1 GLU A 76 9.320 11.594 0.023 1.00 0.00 O ATOM 1171 OE2 GLU A 76 7.598 10.689 1.035 1.00 0.00 O ATOM 0 H GLU A 76 8.971 6.651 1.166 1.00 0.00 H new ATOM 0 HA GLU A 76 8.130 8.506 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.816 7.856 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.591 9.154 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.181 8.961 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.606 9.931 1.647 1.00 0.00 H new ATOM 1178 N ASN A 77 10.043 5.893 -1.532 1.00 0.00 N ATOM 1179 CA ASN A 77 10.524 4.939 -2.533 1.00 0.00 C ATOM 1180 C ASN A 77 9.503 3.806 -2.764 1.00 0.00 C ATOM 1181 O ASN A 77 9.644 3.025 -3.705 1.00 0.00 O ATOM 1182 CB ASN A 77 11.868 4.365 -2.051 1.00 0.00 C ATOM 1183 CG ASN A 77 12.935 5.437 -1.839 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.730 5.726 -2.723 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.988 6.044 -0.665 1.00 0.00 N ATOM 0 H ASN A 77 10.231 5.584 -0.578 1.00 0.00 H new ATOM 0 HA ASN A 77 10.656 5.452 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.712 3.826 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.229 3.640 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.695 6.758 -0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.322 5.798 0.067 1.00 0.00 H new ATOM 1192 N MET A 78 8.490 3.711 -1.889 1.00 0.00 N ATOM 1193 CA MET A 78 7.485 2.637 -1.817 1.00 0.00 C ATOM 1194 C MET A 78 8.150 1.254 -1.697 1.00 0.00 C ATOM 1195 O MET A 78 8.041 0.416 -2.592 1.00 0.00 O ATOM 1196 CB MET A 78 6.487 2.707 -2.989 1.00 0.00 C ATOM 1197 CG MET A 78 5.712 4.030 -3.080 1.00 0.00 C ATOM 1198 SD MET A 78 3.924 3.889 -2.807 1.00 0.00 S ATOM 1199 CE MET A 78 3.913 3.666 -1.013 1.00 0.00 C ATOM 0 H MET A 78 8.341 4.421 -1.172 1.00 0.00 H new ATOM 0 HA MET A 78 6.905 2.791 -0.907 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.029 2.552 -3.922 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.774 1.888 -2.894 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.123 4.726 -2.348 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.881 4.466 -4.064 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.885 3.686 -0.650 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.368 2.708 -0.763 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.479 4.470 -0.543 1.00 0.00 H new ATOM 1209 N VAL A 79 8.810 0.985 -0.568 1.00 0.00 N ATOM 1210 CA VAL A 79 9.513 -0.293 -0.305 1.00 0.00 C ATOM 1211 C VAL A 79 9.387 -0.736 1.155 1.00 0.00 C ATOM 1212 O VAL A 79 9.030 0.061 2.018 1.00 0.00 O ATOM 1213 CB VAL A 79 11.016 -0.247 -0.693 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.245 -0.049 -2.200 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.777 0.826 0.099 1.00 0.00 C ATOM 0 H VAL A 79 8.878 1.649 0.203 1.00 0.00 H new ATOM 0 HA VAL A 79 9.015 -1.023 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 79 11.413 -1.227 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.315 -0.026 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.788 -0.873 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.794 0.892 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.825 0.826 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.342 1.805 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.706 0.610 1.165 1.00 0.00 H new ATOM 1225 N GLN A 80 9.728 -1.994 1.435 1.00 0.00 N ATOM 1226 CA GLN A 80 9.866 -2.554 2.779 1.00 0.00 C ATOM 1227 C GLN A 80 11.282 -3.112 3.008 1.00 0.00 C ATOM 1228 O GLN A 80 11.922 -3.601 2.076 1.00 0.00 O ATOM 1229 CB GLN A 80 8.791 -3.628 3.033 1.00 0.00 C ATOM 1230 CG GLN A 80 8.890 -4.809 2.050 1.00 0.00 C ATOM 1231 CD GLN A 80 8.185 -6.071 2.526 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.215 -6.527 1.941 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.664 -6.715 3.569 1.00 0.00 N ATOM 0 H GLN A 80 9.923 -2.677 0.703 1.00 0.00 H new ATOM 0 HA GLN A 80 9.714 -1.750 3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.888 -4.000 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.803 -3.174 2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.466 -4.508 1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.942 -5.036 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.474 -6.347 4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.226 -7.582 3.878 1.00 0.00 H new ATOM 1242 N TYR A 81 11.751 -3.073 4.261 1.00 0.00 N ATOM 1243 CA TYR A 81 13.038 -3.626 4.723 1.00 0.00 C ATOM 1244 C TYR A 81 13.107 -3.753 6.260 1.00 0.00 C ATOM 1245 O TYR A 81 12.348 -3.093 6.976 1.00 0.00 O ATOM 1246 CB TYR A 81 14.205 -2.780 4.171 1.00 0.00 C ATOM 1247 CG TYR A 81 14.076 -1.267 4.307 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.213 -0.640 5.562 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.854 -0.476 3.161 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.159 0.761 5.672 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.797 0.928 3.262 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.956 1.552 4.520 1.00 0.00 C ATOM 1253 OH TYR A 81 13.920 2.911 4.614 1.00 0.00 O ATOM 0 H TYR A 81 11.223 -2.637 5.017 1.00 0.00 H new ATOM 0 HA TYR A 81 13.125 -4.640 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.120 -3.091 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.328 -3.018 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.361 -1.241 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.727 -0.950 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.273 1.232 6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.632 1.527 2.379 1.00 0.00 H new ATOM 0 HH TYR A 81 13.773 3.297 3.725 1.00 0.00 H new ATOM 1263 N ARG A 82 14.024 -4.575 6.795 1.00 0.00 N ATOM 1264 CA ARG A 82 14.342 -4.612 8.238 1.00 0.00 C ATOM 1265 C ARG A 82 15.091 -3.336 8.654 1.00 0.00 C ATOM 1266 O ARG A 82 15.826 -2.771 7.845 1.00 0.00 O ATOM 1267 CB ARG A 82 15.180 -5.856 8.590 1.00 0.00 C ATOM 1268 CG ARG A 82 14.372 -7.156 8.460 1.00 0.00 C ATOM 1269 CD ARG A 82 15.176 -8.369 8.946 1.00 0.00 C ATOM 1270 NE ARG A 82 14.353 -9.593 8.982 1.00 0.00 N ATOM 1271 CZ ARG A 82 14.109 -10.431 7.978 1.00 0.00 C ATOM 1272 NH1 ARG A 82 14.555 -10.254 6.757 1.00 0.00 N ATOM 1273 NH2 ARG A 82 13.393 -11.511 8.163 1.00 0.00 N ATOM 0 H ARG A 82 14.569 -5.235 6.241 1.00 0.00 H new ATOM 0 HA ARG A 82 13.402 -4.667 8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.049 -5.904 7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.554 -5.763 9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.452 -7.073 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.083 -7.303 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.031 -8.525 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.572 -8.168 9.941 1.00 0.00 H new ATOM 0 HE ARG A 82 13.923 -9.823 9.878 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.124 -9.437 6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.333 -10.934 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.014 -11.719 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.214 -12.144 7.384 1.00 0.00 H new ATOM 1287 N ARG A 83 14.954 -2.893 9.912 1.00 0.00 N ATOM 1288 CA ARG A 83 15.460 -1.584 10.400 1.00 0.00 C ATOM 1289 C ARG A 83 16.968 -1.337 10.172 1.00 0.00 C ATOM 1290 O ARG A 83 17.399 -0.188 10.080 1.00 0.00 O ATOM 1291 CB ARG A 83 15.137 -1.398 11.897 1.00 0.00 C ATOM 1292 CG ARG A 83 13.650 -1.588 12.236 1.00 0.00 C ATOM 1293 CD ARG A 83 13.302 -1.191 13.676 1.00 0.00 C ATOM 1294 NE ARG A 83 13.198 0.267 13.835 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.033 1.111 14.420 1.00 0.00 C ATOM 1296 NH1 ARG A 83 15.190 0.746 14.935 1.00 0.00 N ATOM 1297 NH2 ARG A 83 13.666 2.368 14.478 1.00 0.00 N ATOM 0 H ARG A 83 14.483 -3.435 10.636 1.00 0.00 H new ATOM 0 HA ARG A 83 14.936 -0.846 9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.727 -2.107 12.478 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.446 -0.399 12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.049 -0.995 11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.379 -2.632 12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.358 -1.655 13.962 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.065 -1.576 14.353 1.00 0.00 H new ATOM 0 HE ARG A 83 12.360 0.690 13.436 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.481 -0.231 14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.794 1.440 15.374 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.771 2.657 14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.275 3.057 14.919 1.00 0.00 H new ATOM 1311 N ASN A 84 17.760 -2.407 10.056 1.00 0.00 N ATOM 1312 CA ASN A 84 19.213 -2.394 9.832 1.00 0.00 C ATOM 1313 C ASN A 84 19.646 -2.596 8.357 1.00 0.00 C ATOM 1314 O ASN A 84 20.846 -2.616 8.078 1.00 0.00 O ATOM 1315 CB ASN A 84 19.834 -3.460 10.749 1.00 0.00 C ATOM 1316 CG ASN A 84 19.522 -4.872 10.263 1.00 0.00 C ATOM 1317 OD1 ASN A 84 18.440 -5.404 10.477 1.00 0.00 O ATOM 1318 ND2 ASN A 84 20.449 -5.486 9.555 1.00 0.00 N ATOM 0 H ASN A 84 17.389 -3.355 10.119 1.00 0.00 H new ATOM 0 HA ASN A 84 19.579 -1.396 10.075 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.914 -3.320 10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.456 -3.332 11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 84 20.270 -6.416 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.346 -5.031 9.385 1.00 0.00 H new ATOM 1325 N GLU A 85 18.703 -2.804 7.430 1.00 0.00 N ATOM 1326 CA GLU A 85 18.945 -3.243 6.050 1.00 0.00 C ATOM 1327 C GLU A 85 18.350 -2.279 5.006 1.00 0.00 C ATOM 1328 O GLU A 85 17.404 -1.545 5.284 1.00 0.00 O ATOM 1329 CB GLU A 85 18.370 -4.667 5.913 1.00 0.00 C ATOM 1330 CG GLU A 85 18.681 -5.376 4.589 1.00 0.00 C ATOM 1331 CD GLU A 85 20.181 -5.377 4.279 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.942 -6.122 4.935 1.00 0.00 O ATOM 1333 OE2 GLU A 85 20.596 -4.643 3.353 1.00 0.00 O ATOM 0 H GLU A 85 17.712 -2.666 7.628 1.00 0.00 H new ATOM 0 HA GLU A 85 20.016 -3.244 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.754 -5.276 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.288 -4.617 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.319 -6.403 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.143 -4.884 3.779 1.00 0.00 H new ATOM 1340 N HIS A 86 18.902 -2.292 3.786 1.00 0.00 N ATOM 1341 CA HIS A 86 18.430 -1.505 2.638 1.00 0.00 C ATOM 1342 C HIS A 86 18.710 -2.173 1.271 1.00 0.00 C ATOM 1343 O HIS A 86 17.929 -2.019 0.329 1.00 0.00 O ATOM 1344 CB HIS A 86 19.085 -0.120 2.741 1.00 0.00 C ATOM 1345 CG HIS A 86 18.960 0.708 1.495 1.00 0.00 C ATOM 1346 ND1 HIS A 86 17.893 1.534 1.146 1.00 0.00 N ATOM 1347 CD2 HIS A 86 19.879 0.709 0.490 1.00 0.00 C ATOM 1348 CE1 HIS A 86 18.207 2.031 -0.063 1.00 0.00 C ATOM 1349 NE2 HIS A 86 19.397 1.558 -0.482 1.00 0.00 N ATOM 0 H HIS A 86 19.714 -2.868 3.563 1.00 0.00 H new ATOM 0 HA HIS A 86 17.343 -1.429 2.679 1.00 0.00 H new ATOM 0 HB2 HIS A 86 18.635 0.423 3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 86 20.142 -0.246 2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 86 20.804 0.153 0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 86 17.589 2.717 -0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 86 19.859 1.788 -1.362 1.00 0.00 H new ATOM 1357 N GLY A 87 19.791 -2.952 1.147 1.00 0.00 N ATOM 1358 CA GLY A 87 20.257 -3.542 -0.122 1.00 0.00 C ATOM 1359 C GLY A 87 19.424 -4.725 -0.628 1.00 0.00 C ATOM 1360 O GLY A 87 19.599 -5.143 -1.773 1.00 0.00 O ATOM 0 H GLY A 87 20.382 -3.198 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.261 -2.766 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.289 -3.870 0.004 1.00 0.00 H new ATOM 1364 N ARG A 88 18.517 -5.251 0.209 1.00 0.00 N ATOM 1365 CA ARG A 88 17.640 -6.404 -0.070 1.00 0.00 C ATOM 1366 C ARG A 88 16.142 -6.042 0.050 1.00 0.00 C ATOM 1367 O ARG A 88 15.285 -6.924 0.153 1.00 0.00 O ATOM 1368 CB ARG A 88 18.025 -7.605 0.821 1.00 0.00 C ATOM 1369 CG ARG A 88 19.479 -8.091 0.659 1.00 0.00 C ATOM 1370 CD ARG A 88 20.468 -7.345 1.563 1.00 0.00 C ATOM 1371 NE ARG A 88 21.847 -7.831 1.398 1.00 0.00 N ATOM 1372 CZ ARG A 88 22.947 -7.179 1.762 1.00 0.00 C ATOM 1373 NH1 ARG A 88 22.911 -6.022 2.393 1.00 0.00 N ATOM 1374 NH2 ARG A 88 24.128 -7.695 1.486 1.00 0.00 N ATOM 0 H ARG A 88 18.366 -4.868 1.142 1.00 0.00 H new ATOM 0 HA ARG A 88 17.794 -6.697 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.862 -7.333 1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.353 -8.434 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.526 -9.157 0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.783 -7.968 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 88 20.431 -6.279 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 88 20.166 -7.462 2.604 1.00 0.00 H new ATOM 0 HE ARG A 88 21.970 -8.747 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 88 22.014 -5.593 2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 88 23.780 -5.556 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 88 24.193 -8.588 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 88 24.977 -7.202 1.762 1.00 0.00 H new ATOM 1388 N ARG A 89 15.829 -4.739 0.051 1.00 0.00 N ATOM 1389 CA ARG A 89 14.469 -4.169 0.086 1.00 0.00 C ATOM 1390 C ARG A 89 13.533 -4.759 -0.987 1.00 0.00 C ATOM 1391 O ARG A 89 13.974 -5.061 -2.101 1.00 0.00 O ATOM 1392 CB ARG A 89 14.548 -2.631 -0.010 1.00 0.00 C ATOM 1393 CG ARG A 89 15.102 -2.107 -1.347 1.00 0.00 C ATOM 1394 CD ARG A 89 15.448 -0.613 -1.291 1.00 0.00 C ATOM 1395 NE ARG A 89 15.985 -0.134 -2.578 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.224 -0.292 -3.033 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.157 -0.906 -2.336 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.545 0.175 -4.220 1.00 0.00 N ATOM 0 H ARG A 89 16.549 -4.017 0.026 1.00 0.00 H new ATOM 0 HA ARG A 89 14.022 -4.447 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.551 -2.217 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.176 -2.260 0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.994 -2.674 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.367 -2.278 -2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.557 -0.042 -1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.180 -0.437 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 89 15.338 0.372 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.940 -1.280 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.097 -1.007 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.845 0.655 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.494 0.057 -4.575 1.00 0.00 H new ATOM 1412 N ARG A 90 12.240 -4.886 -0.662 1.00 0.00 N ATOM 1413 CA ARG A 90 11.174 -5.357 -1.569 1.00 0.00 C ATOM 1414 C ARG A 90 10.186 -4.226 -1.869 1.00 0.00 C ATOM 1415 O ARG A 90 9.842 -3.452 -0.980 1.00 0.00 O ATOM 1416 CB ARG A 90 10.425 -6.557 -0.958 1.00 0.00 C ATOM 1417 CG ARG A 90 11.245 -7.853 -0.980 1.00 0.00 C ATOM 1418 CD ARG A 90 10.461 -8.994 -0.307 1.00 0.00 C ATOM 1419 NE ARG A 90 11.096 -10.300 -0.538 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.037 -11.044 -1.633 1.00 0.00 C ATOM 1421 NH1 ARG A 90 10.313 -10.720 -2.685 1.00 0.00 N ATOM 1422 NH2 ARG A 90 11.737 -12.150 -1.650 1.00 0.00 N ATOM 0 H ARG A 90 11.891 -4.657 0.269 1.00 0.00 H new ATOM 0 HA ARG A 90 11.642 -5.676 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.155 -6.323 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.495 -6.713 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.482 -8.124 -2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.193 -7.700 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.394 -8.807 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.442 -9.012 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 90 11.646 -10.677 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.763 -9.861 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.302 -11.328 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.300 -12.410 -0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.720 -12.752 -2.473 1.00 0.00 H new ATOM 1436 N LYS A 91 9.717 -4.131 -3.114 1.00 0.00 N ATOM 1437 CA LYS A 91 8.731 -3.133 -3.560 1.00 0.00 C ATOM 1438 C LYS A 91 7.348 -3.311 -2.902 1.00 0.00 C ATOM 1439 O LYS A 91 6.863 -4.436 -2.757 1.00 0.00 O ATOM 1440 CB LYS A 91 8.614 -3.214 -5.099 1.00 0.00 C ATOM 1441 CG LYS A 91 9.408 -2.131 -5.854 1.00 0.00 C ATOM 1442 CD LYS A 91 8.742 -0.747 -5.794 1.00 0.00 C ATOM 1443 CE LYS A 91 7.445 -0.674 -6.615 1.00 0.00 C ATOM 1444 NZ LYS A 91 6.547 0.416 -6.147 1.00 0.00 N ATOM 0 H LYS A 91 10.016 -4.758 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 91 9.083 -2.149 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.958 -4.195 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.563 -3.136 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.411 -2.064 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.519 -2.430 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.524 -0.499 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.442 0.004 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.690 -0.516 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.921 -1.628 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.882 0.668 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.015 0.094 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.115 1.249 -5.894 1.00 0.00 H new ATOM 1458 N ILE A 92 6.683 -2.193 -2.582 1.00 0.00 N ATOM 1459 CA ILE A 92 5.270 -2.139 -2.152 1.00 0.00 C ATOM 1460 C ILE A 92 4.466 -1.182 -3.051 1.00 0.00 C ATOM 1461 O ILE A 92 5.043 -0.431 -3.843 1.00 0.00 O ATOM 1462 CB ILE A 92 5.114 -1.826 -0.638 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.307 -0.330 -0.332 1.00 0.00 C ATOM 1464 CG2 ILE A 92 6.030 -2.718 0.213 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.339 0.070 1.147 1.00 0.00 C ATOM 0 H ILE A 92 7.121 -1.272 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 92 4.847 -3.136 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 92 4.087 -2.063 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.240 -0.006 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.503 0.223 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.898 -2.475 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.775 -3.765 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.069 -2.549 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.480 1.148 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.398 -0.210 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.162 -0.443 1.645 1.00 0.00 H new ATOM 1477 N LYS A 93 3.139 -1.205 -2.922 1.00 0.00 N ATOM 1478 CA LYS A 93 2.203 -0.299 -3.606 1.00 0.00 C ATOM 1479 C LYS A 93 0.862 -0.147 -2.862 1.00 0.00 C ATOM 1480 O LYS A 93 0.517 -0.973 -2.010 1.00 0.00 O ATOM 1481 CB LYS A 93 1.962 -0.776 -5.061 1.00 0.00 C ATOM 1482 CG LYS A 93 1.129 -2.069 -5.158 1.00 0.00 C ATOM 1483 CD LYS A 93 0.661 -2.358 -6.590 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.160 -3.656 -6.615 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.983 -3.769 -7.846 1.00 0.00 N ATOM 0 H LYS A 93 2.665 -1.877 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 93 2.668 0.687 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.455 0.015 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.925 -0.937 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.723 -2.908 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.261 -1.988 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.059 -1.528 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.522 -2.448 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.512 -4.512 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.809 -3.691 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.233 -4.766 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.851 -3.207 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.441 -3.413 -8.660 1.00 0.00 H new ATOM 1499 N ARG A 94 0.087 0.870 -3.253 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.333 1.031 -2.905 1.00 0.00 C ATOM 1501 C ARG A 94 -2.199 0.570 -4.084 1.00 0.00 C ATOM 1502 O ARG A 94 -1.792 0.674 -5.243 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.667 2.496 -2.573 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.134 2.910 -1.197 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.567 4.325 -0.785 1.00 0.00 C ATOM 1506 NE ARG A 94 -3.011 4.412 -0.490 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.968 4.915 -1.258 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.738 5.376 -2.472 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -5.196 4.961 -0.800 1.00 0.00 N ATOM 0 H ARG A 94 0.439 1.628 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.538 0.425 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.242 3.147 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.748 2.636 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.483 2.198 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.045 2.857 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.001 4.633 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.320 5.024 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.308 4.041 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.793 5.354 -2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.505 5.754 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.405 4.613 0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.942 5.345 -1.379 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.409 0.106 -3.797 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.436 -0.247 -4.782 1.00 0.00 C ATOM 1525 C ASP A 95 -5.851 -0.086 -4.199 1.00 0.00 C ATOM 1526 O ASP A 95 -6.026 0.263 -3.030 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.210 -1.675 -5.315 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.312 -1.737 -6.845 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.361 -1.306 -7.382 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.350 -2.220 -7.492 1.00 0.00 O ATOM 0 H ASP A 95 -3.718 -0.042 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.350 0.444 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.227 -2.028 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.946 -2.348 -4.874 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.868 -0.348 -5.022 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.288 -0.141 -4.710 1.00 0.00 C ATOM 1537 C ILE A 96 -9.095 -1.397 -5.044 1.00 0.00 C ATOM 1538 O ILE A 96 -8.899 -2.030 -6.084 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.836 1.073 -5.496 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.022 2.361 -5.254 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.324 1.320 -5.158 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.157 2.904 -3.832 1.00 0.00 C ATOM 0 H ILE A 96 -6.723 -0.724 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.385 0.060 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.740 0.822 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.970 2.162 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.347 3.126 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.688 2.179 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.908 0.438 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.427 1.517 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.560 3.810 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.203 3.134 -3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.805 2.156 -3.122 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.038 -1.729 -4.164 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.036 -2.787 -4.385 1.00 0.00 C ATOM 1556 C ILE A 97 -12.319 -2.199 -4.988 1.00 0.00 C ATOM 1557 O ILE A 97 -12.781 -1.138 -4.567 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.355 -3.536 -3.080 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.111 -4.114 -2.386 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.359 -4.665 -3.350 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.475 -3.117 -1.410 1.00 0.00 C ATOM 0 H ILE A 97 -10.136 -1.266 -3.261 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.612 -3.502 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.784 -2.797 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.386 -5.021 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.377 -4.400 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.577 -5.188 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.280 -4.244 -3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.934 -5.366 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.600 -3.571 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.174 -2.220 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.198 -2.850 -0.639 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.925 -2.927 -5.924 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.176 -2.541 -6.601 1.00 0.00 C ATOM 1575 C ASP A 98 -15.426 -3.332 -6.147 1.00 0.00 C ATOM 1576 O ASP A 98 -16.544 -2.852 -6.329 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.951 -2.668 -8.115 1.00 0.00 C ATOM 1578 CG ASP A 98 -15.090 -2.052 -8.947 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.293 -0.817 -8.869 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.744 -2.799 -9.715 1.00 0.00 O ATOM 0 H ASP A 98 -12.557 -3.823 -6.245 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.401 -1.512 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.012 -2.182 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.848 -3.722 -8.374 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.221 -4.503 -5.518 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.212 -5.428 -4.909 1.00 0.00 C ATOM 1587 C ILE A 99 -16.966 -6.259 -5.986 1.00 0.00 C ATOM 1588 O ILE A 99 -17.517 -5.678 -6.929 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.185 -4.709 -3.931 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.463 -3.845 -2.868 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.144 -5.691 -3.232 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.646 -4.619 -1.824 1.00 0.00 C ATOM 0 H ILE A 99 -14.274 -4.865 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.644 -6.133 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.766 -4.038 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.798 -3.151 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.209 -3.245 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.802 -5.140 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.742 -6.211 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.567 -6.418 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.184 -3.917 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.303 -5.293 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.870 -5.198 -2.325 1.00 0.00 H new