USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 821 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 57 TYR OH : rot 180:sc= -0.024 USER MOD Set 1.2: A 97 GLN : amide:sc= -2.28 K(o=-2.3,f=-5.9!) USER MOD Set 1.3: A 107 MET CE :methyl 144:sc= -0.0249 (180deg=-0.295) USER MOD Set 2.1: A 87 THR OG1 : rot 114:sc= 0.378 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 0.351 USER MOD Set 3.1: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 36 THR OG1 : rot 160:sc= -0.815 USER MOD Set 3.3: A 84 GLN : amide:sc= -0.827 X(o=-1.6,f=-2) USER MOD Single : A 19 THR OG1 : rot -33:sc= 1.14 USER MOD Single : A 20 SER OG : rot 39:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.0327 (180deg=-0.741) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.291 K(o=-0.29,f=-6!) USER MOD Single : A 42 GLN : amide:sc= -1.89 K(o=-1.9,f=-8.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 20:sc= 1.03 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.378 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.101 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.41) USER MOD Single : A 67 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-4.6!) USER MOD Single : A 77 ASN : amide:sc= -2.34! C(o=-2.3!,f=-2.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 81 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.16) USER MOD Single : A 82 GLN : amide:sc= -1.96! C(o=-2!,f=-10!) USER MOD Single : A 90 THR OG1 : rot 71:sc= 0.81 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 139:sc= -1.24! (180deg=-2.99!) USER MOD Single : A 100 ASN : amide:sc= 0.524 K(o=0.52,f=-9.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00301) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 160:sc= 0.512 USER MOD Single : A 112 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.52) USER MOD Single : A 115 THR OG1 : rot 32:sc= 0.703 USER MOD Single : A 117 LYS NZ :NH3+ -132:sc= -0.702 (180deg=-4.12!) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -23.262 -4.904 -3.961 1.00 0.00 N ATOM 179 CA LEU A 16 -22.333 -5.535 -4.892 1.00 0.00 C ATOM 180 C LEU A 16 -20.918 -4.999 -4.696 1.00 0.00 C ATOM 181 O LEU A 16 -20.636 -3.838 -4.993 1.00 0.00 O ATOM 182 CB LEU A 16 -22.785 -5.298 -6.334 1.00 0.00 C ATOM 183 CG LEU A 16 -24.045 -6.045 -6.774 1.00 0.00 C ATOM 184 CD1 LEU A 16 -23.789 -7.543 -6.819 1.00 0.00 C ATOM 185 CD2 LEU A 16 -25.205 -5.728 -5.841 1.00 0.00 C ATOM 0 HA LEU A 16 -22.327 -6.606 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.954 -4.230 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.969 -5.579 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.310 -5.712 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -24.697 -8.058 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -22.988 -7.754 -7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.499 -7.892 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.093 -6.268 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -24.949 -6.032 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.404 -4.657 -5.859 1.00 0.00 H new ATOM 197 N VAL A 17 -20.031 -5.853 -4.196 1.00 0.00 N ATOM 198 CA VAL A 17 -18.645 -5.467 -3.963 1.00 0.00 C ATOM 199 C VAL A 17 -18.017 -4.886 -5.225 1.00 0.00 C ATOM 200 O VAL A 17 -18.408 -5.208 -6.347 1.00 0.00 O ATOM 201 CB VAL A 17 -17.801 -6.665 -3.488 1.00 0.00 C ATOM 202 CG1 VAL A 17 -18.162 -7.039 -2.058 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.987 -7.851 -4.421 1.00 0.00 C ATOM 0 H VAL A 17 -20.248 -6.817 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.655 -4.707 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.750 -6.378 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.556 -7.887 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.972 -6.190 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.217 -7.308 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.383 -8.688 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.037 -8.142 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.674 -7.575 -5.428 1.00 0.00 H new ATOM 213 N PRO A 18 -17.019 -4.010 -5.040 1.00 0.00 N ATOM 214 CA PRO A 18 -16.314 -3.366 -6.152 1.00 0.00 C ATOM 215 C PRO A 18 -15.441 -4.345 -6.930 1.00 0.00 C ATOM 216 O PRO A 18 -14.306 -4.623 -6.543 1.00 0.00 O ATOM 217 CB PRO A 18 -15.448 -2.310 -5.460 1.00 0.00 C ATOM 218 CG PRO A 18 -15.243 -2.834 -4.080 1.00 0.00 C ATOM 219 CD PRO A 18 -16.501 -3.580 -3.730 1.00 0.00 C ATOM 0 HA PRO A 18 -17.005 -2.955 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.498 -2.176 -5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.943 -1.339 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.375 -3.491 -4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.063 -2.021 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.296 -4.431 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.213 -2.943 -3.206 1.00 0.00 H new ATOM 227 N THR A 19 -15.978 -4.864 -8.030 1.00 0.00 N ATOM 228 CA THR A 19 -15.248 -5.813 -8.861 1.00 0.00 C ATOM 229 C THR A 19 -14.285 -5.094 -9.799 1.00 0.00 C ATOM 230 O THR A 19 -13.774 -5.684 -10.751 1.00 0.00 O ATOM 231 CB THR A 19 -16.208 -6.681 -9.697 1.00 0.00 C ATOM 232 OG1 THR A 19 -15.464 -7.642 -10.456 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.040 -5.820 -10.635 1.00 0.00 C ATOM 0 H THR A 19 -16.915 -4.643 -8.366 1.00 0.00 H new ATOM 0 HA THR A 19 -14.683 -6.456 -8.186 1.00 0.00 H new ATOM 0 HB THR A 19 -16.881 -7.200 -9.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.597 -7.260 -10.707 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.710 -6.456 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.627 -5.110 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.380 -5.277 -11.311 1.00 0.00 H new ATOM 241 N SER A 20 -14.041 -3.817 -9.524 1.00 0.00 N ATOM 242 CA SER A 20 -13.140 -3.016 -10.345 1.00 0.00 C ATOM 243 C SER A 20 -12.006 -2.439 -9.504 1.00 0.00 C ATOM 244 O SER A 20 -12.202 -1.994 -8.373 1.00 0.00 O ATOM 245 CB SER A 20 -13.910 -1.885 -11.029 1.00 0.00 C ATOM 246 OG SER A 20 -14.898 -1.346 -10.167 1.00 0.00 O ATOM 0 H SER A 20 -14.455 -3.314 -8.739 1.00 0.00 H new ATOM 0 HA SER A 20 -12.709 -3.665 -11.107 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.217 -1.099 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.381 -2.259 -11.938 1.00 0.00 H new ATOM 0 HG SER A 20 -14.545 -1.298 -9.254 1.00 0.00 H new ATOM 252 N PRO A 21 -10.789 -2.446 -10.068 1.00 0.00 N ATOM 253 CA PRO A 21 -9.599 -1.927 -9.389 1.00 0.00 C ATOM 254 C PRO A 21 -9.630 -0.409 -9.244 1.00 0.00 C ATOM 255 O PRO A 21 -10.411 0.285 -9.895 1.00 0.00 O ATOM 256 CB PRO A 21 -8.452 -2.352 -10.309 1.00 0.00 C ATOM 257 CG PRO A 21 -9.076 -2.488 -11.655 1.00 0.00 C ATOM 258 CD PRO A 21 -10.482 -2.961 -11.413 1.00 0.00 C ATOM 0 HA PRO A 21 -9.512 -2.308 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.654 -1.609 -10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.009 -3.293 -9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.070 -1.536 -12.186 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.525 -3.199 -12.270 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.172 -2.569 -12.160 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.553 -4.048 -11.453 1.00 0.00 H new ATOM 266 N PRO A 22 -8.761 0.120 -8.369 1.00 0.00 N ATOM 267 CA PRO A 22 -8.670 1.561 -8.119 1.00 0.00 C ATOM 268 C PRO A 22 -8.088 2.320 -9.306 1.00 0.00 C ATOM 269 O PRO A 22 -7.884 1.753 -10.380 1.00 0.00 O ATOM 270 CB PRO A 22 -7.731 1.653 -6.913 1.00 0.00 C ATOM 271 CG PRO A 22 -6.907 0.413 -6.980 1.00 0.00 C ATOM 272 CD PRO A 22 -7.801 -0.648 -7.558 1.00 0.00 C ATOM 0 HA PRO A 22 -9.650 2.008 -7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.108 2.546 -6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.290 1.707 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.026 0.563 -7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.551 0.127 -5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.240 -1.359 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.302 -1.221 -6.777 1.00 0.00 H new ATOM 280 N LYS A 23 -7.821 3.607 -9.107 1.00 0.00 N ATOM 281 CA LYS A 23 -7.260 4.444 -10.161 1.00 0.00 C ATOM 282 C LYS A 23 -6.364 5.530 -9.574 1.00 0.00 C ATOM 283 O LYS A 23 -6.351 5.750 -8.362 1.00 0.00 O ATOM 284 CB LYS A 23 -8.381 5.083 -10.984 1.00 0.00 C ATOM 285 CG LYS A 23 -9.629 4.222 -11.084 1.00 0.00 C ATOM 286 CD LYS A 23 -10.570 4.728 -12.164 1.00 0.00 C ATOM 287 CE LYS A 23 -11.093 6.120 -11.841 1.00 0.00 C ATOM 288 NZ LYS A 23 -11.912 6.676 -12.953 1.00 0.00 N ATOM 0 H LYS A 23 -7.984 4.093 -8.225 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.656 3.811 -10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.646 6.042 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.011 5.289 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.345 3.192 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.145 4.215 -10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.050 4.747 -13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.408 4.039 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.693 6.081 -10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.254 6.786 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.529 7.429 -12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.285 7.067 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.496 5.921 -13.365 1.00 0.00 H new ATOM 302 N ASP A 24 -5.618 6.207 -10.439 1.00 0.00 N ATOM 303 CA ASP A 24 -4.720 7.272 -10.007 1.00 0.00 C ATOM 304 C ASP A 24 -3.669 6.737 -9.039 1.00 0.00 C ATOM 305 O ASP A 24 -3.318 7.397 -8.060 1.00 0.00 O ATOM 306 CB ASP A 24 -5.514 8.399 -9.345 1.00 0.00 C ATOM 307 CG ASP A 24 -6.185 9.307 -10.358 1.00 0.00 C ATOM 308 OD1 ASP A 24 -5.578 9.561 -11.419 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.316 9.763 -10.089 1.00 0.00 O ATOM 0 H ASP A 24 -5.617 6.037 -11.445 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.211 7.665 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.271 7.969 -8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.847 8.990 -8.718 1.00 0.00 H new ATOM 314 N VAL A 25 -3.171 5.537 -9.318 1.00 0.00 N ATOM 315 CA VAL A 25 -2.161 4.913 -8.472 1.00 0.00 C ATOM 316 C VAL A 25 -0.796 5.560 -8.678 1.00 0.00 C ATOM 317 O VAL A 25 -0.172 5.400 -9.728 1.00 0.00 O ATOM 318 CB VAL A 25 -2.048 3.403 -8.753 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.829 2.819 -8.056 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.316 2.684 -8.319 1.00 0.00 C ATOM 0 H VAL A 25 -3.451 4.977 -10.124 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.478 5.060 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.926 3.260 -9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.766 1.751 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.071 3.314 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.917 2.972 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.219 1.618 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.472 2.834 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.168 3.084 -8.870 1.00 0.00 H new ATOM 330 N THR A 26 -0.336 6.293 -7.669 1.00 0.00 N ATOM 331 CA THR A 26 0.955 6.966 -7.739 1.00 0.00 C ATOM 332 C THR A 26 1.789 6.685 -6.495 1.00 0.00 C ATOM 333 O THR A 26 1.253 6.516 -5.400 1.00 0.00 O ATOM 334 CB THR A 26 0.786 8.489 -7.896 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.138 8.984 -6.920 1.00 0.00 O ATOM 336 CG2 THR A 26 0.292 8.838 -9.292 1.00 0.00 C ATOM 0 H THR A 26 -0.839 6.436 -6.793 1.00 0.00 H new ATOM 0 HA THR A 26 1.470 6.572 -8.615 1.00 0.00 H new ATOM 0 HB THR A 26 1.759 8.957 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.238 9.953 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.180 9.919 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.012 8.487 -10.031 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.671 8.358 -9.468 1.00 0.00 H new ATOM 344 N VAL A 27 3.106 6.636 -6.670 1.00 0.00 N ATOM 345 CA VAL A 27 4.016 6.376 -5.561 1.00 0.00 C ATOM 346 C VAL A 27 5.138 7.407 -5.517 1.00 0.00 C ATOM 347 O VAL A 27 6.044 7.390 -6.351 1.00 0.00 O ATOM 348 CB VAL A 27 4.632 4.968 -5.657 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.554 4.706 -4.476 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.538 3.913 -5.734 1.00 0.00 C ATOM 0 H VAL A 27 3.566 6.773 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 27 3.427 6.445 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 27 5.226 4.911 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.980 3.706 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.357 5.443 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.987 4.781 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.991 2.924 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.916 3.968 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.922 4.091 -6.616 1.00 0.00 H new ATOM 360 N VAL A 28 5.072 8.305 -4.539 1.00 0.00 N ATOM 361 CA VAL A 28 6.083 9.344 -4.386 1.00 0.00 C ATOM 362 C VAL A 28 6.952 9.088 -3.160 1.00 0.00 C ATOM 363 O VAL A 28 6.595 8.297 -2.287 1.00 0.00 O ATOM 364 CB VAL A 28 5.441 10.739 -4.263 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.861 11.179 -5.599 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.371 10.739 -3.182 1.00 0.00 C ATOM 0 H VAL A 28 4.329 8.334 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 28 6.704 9.315 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 28 6.214 11.452 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.412 12.166 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.655 11.220 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.100 10.467 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.928 11.732 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.597 10.014 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.820 10.470 -2.226 1.00 0.00 H new ATOM 376 N SER A 29 8.096 9.762 -3.101 1.00 0.00 N ATOM 377 CA SER A 29 9.020 9.605 -1.983 1.00 0.00 C ATOM 378 C SER A 29 8.710 10.609 -0.877 1.00 0.00 C ATOM 379 O SER A 29 7.890 11.511 -1.053 1.00 0.00 O ATOM 380 CB SER A 29 10.463 9.782 -2.458 1.00 0.00 C ATOM 381 OG SER A 29 10.712 11.121 -2.848 1.00 0.00 O ATOM 0 H SER A 29 8.406 10.422 -3.814 1.00 0.00 H new ATOM 0 HA SER A 29 8.898 8.599 -1.581 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.149 9.499 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.657 9.114 -3.297 1.00 0.00 H new ATOM 0 HG SER A 29 11.642 11.208 -3.146 1.00 0.00 H new ATOM 387 N LYS A 30 9.370 10.446 0.264 1.00 0.00 N ATOM 388 CA LYS A 30 9.168 11.337 1.400 1.00 0.00 C ATOM 389 C LYS A 30 10.252 12.409 1.450 1.00 0.00 C ATOM 390 O LYS A 30 11.404 12.157 1.096 1.00 0.00 O ATOM 391 CB LYS A 30 9.165 10.539 2.706 1.00 0.00 C ATOM 392 CG LYS A 30 9.157 11.410 3.951 1.00 0.00 C ATOM 393 CD LYS A 30 7.741 11.712 4.410 1.00 0.00 C ATOM 394 CE LYS A 30 7.727 12.738 5.534 1.00 0.00 C ATOM 395 NZ LYS A 30 8.020 12.117 6.855 1.00 0.00 N ATOM 0 H LYS A 30 10.051 9.704 0.427 1.00 0.00 H new ATOM 0 HA LYS A 30 8.202 11.827 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.291 9.888 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.043 9.894 2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.701 10.908 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.681 12.344 3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.156 12.084 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.263 10.793 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.463 13.514 5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.752 13.225 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.001 12.848 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.303 11.394 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.961 11.675 6.830 1.00 0.00 H new ATOM 409 N GLU A 31 9.875 13.605 1.892 1.00 0.00 N ATOM 410 CA GLU A 31 10.817 14.714 1.988 1.00 0.00 C ATOM 411 C GLU A 31 11.654 14.609 3.259 1.00 0.00 C ATOM 412 O GLU A 31 11.159 14.834 4.363 1.00 0.00 O ATOM 413 CB GLU A 31 10.070 16.049 1.966 1.00 0.00 C ATOM 414 CG GLU A 31 10.987 17.261 1.980 1.00 0.00 C ATOM 415 CD GLU A 31 11.725 17.448 0.668 1.00 0.00 C ATOM 416 OE1 GLU A 31 11.064 17.752 -0.347 1.00 0.00 O ATOM 417 OE2 GLU A 31 12.964 17.292 0.658 1.00 0.00 O ATOM 0 H GLU A 31 8.925 13.830 2.189 1.00 0.00 H new ATOM 0 HA GLU A 31 11.485 14.665 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.442 16.090 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.405 16.098 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.400 18.154 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.711 17.155 2.788 1.00 0.00 H new ATOM 424 N GLY A 32 12.928 14.263 3.095 1.00 0.00 N ATOM 425 CA GLY A 32 13.814 14.132 4.237 1.00 0.00 C ATOM 426 C GLY A 32 14.340 12.720 4.404 1.00 0.00 C ATOM 427 O GLY A 32 15.519 12.519 4.696 1.00 0.00 O ATOM 0 H GLY A 32 13.362 14.071 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.653 14.818 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.282 14.428 5.141 1.00 0.00 H new ATOM 431 N LYS A 33 13.463 11.739 4.221 1.00 0.00 N ATOM 432 CA LYS A 33 13.844 10.338 4.354 1.00 0.00 C ATOM 433 C LYS A 33 13.474 9.552 3.100 1.00 0.00 C ATOM 434 O LYS A 33 12.324 9.544 2.660 1.00 0.00 O ATOM 435 CB LYS A 33 13.164 9.717 5.576 1.00 0.00 C ATOM 436 CG LYS A 33 14.074 8.805 6.380 1.00 0.00 C ATOM 437 CD LYS A 33 13.928 7.354 5.953 1.00 0.00 C ATOM 438 CE LYS A 33 14.177 6.403 7.114 1.00 0.00 C ATOM 439 NZ LYS A 33 12.974 6.256 7.979 1.00 0.00 N ATOM 0 H LYS A 33 12.483 11.888 3.980 1.00 0.00 H new ATOM 0 HA LYS A 33 14.925 10.293 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.799 10.515 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.293 9.150 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.110 9.120 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.840 8.899 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.927 7.190 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.630 7.138 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.468 5.426 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.011 6.770 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.185 5.600 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.711 7.184 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.185 5.881 7.415 1.00 0.00 H new ATOM 453 N PRO A 34 14.469 8.874 2.509 1.00 0.00 N ATOM 454 CA PRO A 34 14.272 8.072 1.299 1.00 0.00 C ATOM 455 C PRO A 34 13.444 6.819 1.563 1.00 0.00 C ATOM 456 O PRO A 34 12.453 6.561 0.879 1.00 0.00 O ATOM 457 CB PRO A 34 15.697 7.694 0.887 1.00 0.00 C ATOM 458 CG PRO A 34 16.483 7.746 2.152 1.00 0.00 C ATOM 459 CD PRO A 34 15.864 8.839 2.979 1.00 0.00 C ATOM 0 HA PRO A 34 13.723 8.619 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.730 6.700 0.441 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.093 8.389 0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.444 6.791 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.533 7.956 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.923 8.619 4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.365 9.794 2.822 1.00 0.00 H new ATOM 467 N LYS A 35 13.855 6.043 2.560 1.00 0.00 N ATOM 468 CA LYS A 35 13.150 4.817 2.916 1.00 0.00 C ATOM 469 C LYS A 35 11.646 5.057 2.996 1.00 0.00 C ATOM 470 O LYS A 35 10.849 4.211 2.591 1.00 0.00 O ATOM 471 CB LYS A 35 13.664 4.280 4.255 1.00 0.00 C ATOM 472 CG LYS A 35 15.122 3.857 4.221 1.00 0.00 C ATOM 473 CD LYS A 35 15.685 3.686 5.622 1.00 0.00 C ATOM 474 CE LYS A 35 16.772 2.623 5.660 1.00 0.00 C ATOM 475 NZ LYS A 35 17.290 2.408 7.040 1.00 0.00 N ATOM 0 H LYS A 35 14.673 6.241 3.136 1.00 0.00 H new ATOM 0 HA LYS A 35 13.341 4.079 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.535 5.047 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.054 3.427 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.217 2.920 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.706 4.603 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.091 4.636 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.882 3.412 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.376 1.685 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.592 2.919 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.029 1.676 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.691 3.297 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.513 2.101 7.659 1.00 0.00 H new ATOM 489 N THR A 36 11.264 6.217 3.521 1.00 0.00 N ATOM 490 CA THR A 36 9.856 6.569 3.653 1.00 0.00 C ATOM 491 C THR A 36 9.279 7.040 2.323 1.00 0.00 C ATOM 492 O THR A 36 9.843 7.917 1.668 1.00 0.00 O ATOM 493 CB THR A 36 9.649 7.672 4.709 1.00 0.00 C ATOM 494 OG1 THR A 36 10.054 7.198 5.998 1.00 0.00 O ATOM 495 CG2 THR A 36 8.192 8.107 4.758 1.00 0.00 C ATOM 0 H THR A 36 11.910 6.929 3.862 1.00 0.00 H new ATOM 0 HA THR A 36 9.334 5.667 3.973 1.00 0.00 H new ATOM 0 HB THR A 36 10.259 8.531 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.227 7.961 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.070 8.886 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.895 8.494 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.566 7.253 5.015 1.00 0.00 H new ATOM 503 N ILE A 37 8.154 6.453 1.930 1.00 0.00 N ATOM 504 CA ILE A 37 7.501 6.815 0.678 1.00 0.00 C ATOM 505 C ILE A 37 5.991 6.927 0.859 1.00 0.00 C ATOM 506 O ILE A 37 5.397 6.213 1.667 1.00 0.00 O ATOM 507 CB ILE A 37 7.799 5.788 -0.430 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.235 4.418 -0.051 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.297 5.700 -0.680 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.922 3.542 -1.244 1.00 0.00 C ATOM 0 H ILE A 37 7.676 5.725 2.460 1.00 0.00 H new ATOM 0 HA ILE A 37 7.902 7.784 0.381 1.00 0.00 H new ATOM 0 HB ILE A 37 7.315 6.116 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.952 3.904 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.327 4.558 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.493 4.970 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.672 6.676 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.801 5.391 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.526 2.587 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.182 4.036 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.832 3.372 -1.819 1.00 0.00 H new ATOM 522 N ILE A 38 5.375 7.827 0.099 1.00 0.00 N ATOM 523 CA ILE A 38 3.933 8.030 0.173 1.00 0.00 C ATOM 524 C ILE A 38 3.231 7.437 -1.044 1.00 0.00 C ATOM 525 O ILE A 38 3.517 7.810 -2.182 1.00 0.00 O ATOM 526 CB ILE A 38 3.580 9.525 0.277 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.241 10.143 1.511 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.071 9.710 0.330 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.671 10.578 1.276 1.00 0.00 C ATOM 0 H ILE A 38 5.852 8.427 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 38 3.588 7.520 1.073 1.00 0.00 H new ATOM 0 HB ILE A 38 3.959 10.035 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.656 11.004 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.219 9.419 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.837 10.772 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.622 9.301 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.671 9.189 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.076 11.007 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.270 9.716 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.698 11.325 0.483 1.00 0.00 H new ATOM 541 N VAL A 39 2.309 6.512 -0.797 1.00 0.00 N ATOM 542 CA VAL A 39 1.564 5.868 -1.872 1.00 0.00 C ATOM 543 C VAL A 39 0.160 6.452 -1.993 1.00 0.00 C ATOM 544 O VAL A 39 -0.724 6.136 -1.199 1.00 0.00 O ATOM 545 CB VAL A 39 1.459 4.348 -1.651 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.487 3.729 -2.645 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.830 3.698 -1.758 1.00 0.00 C ATOM 0 H VAL A 39 2.060 6.192 0.139 1.00 0.00 H new ATOM 0 HA VAL A 39 2.114 6.055 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 39 1.076 4.170 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.426 2.654 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.499 4.174 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.837 3.915 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.737 2.624 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.244 3.884 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.493 4.120 -1.003 1.00 0.00 H new ATOM 557 N ASN A 40 -0.036 7.305 -2.993 1.00 0.00 N ATOM 558 CA ASN A 40 -1.332 7.933 -3.218 1.00 0.00 C ATOM 559 C ASN A 40 -2.146 7.149 -4.243 1.00 0.00 C ATOM 560 O ASN A 40 -1.589 6.462 -5.099 1.00 0.00 O ATOM 561 CB ASN A 40 -1.148 9.376 -3.694 1.00 0.00 C ATOM 562 CG ASN A 40 0.119 10.007 -3.148 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.226 9.556 -3.442 1.00 0.00 O ATOM 564 ND2 ASN A 40 -0.039 11.055 -2.349 1.00 0.00 N ATOM 0 H ASN A 40 0.686 7.577 -3.660 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.875 7.935 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.120 9.396 -4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.009 9.970 -3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.777 11.521 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.976 11.395 -2.133 1.00 0.00 H new ATOM 571 N TRP A 41 -3.466 7.256 -4.148 1.00 0.00 N ATOM 572 CA TRP A 41 -4.358 6.557 -5.067 1.00 0.00 C ATOM 573 C TRP A 41 -5.793 7.048 -4.913 1.00 0.00 C ATOM 574 O TRP A 41 -6.074 7.921 -4.093 1.00 0.00 O ATOM 575 CB TRP A 41 -4.292 5.048 -4.825 1.00 0.00 C ATOM 576 CG TRP A 41 -4.964 4.621 -3.556 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.293 4.359 -3.380 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.340 4.408 -2.285 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.532 3.996 -2.076 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.351 4.018 -1.384 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.026 4.508 -1.820 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.086 3.729 -0.048 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.765 4.221 -0.494 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.790 3.835 0.379 1.00 0.00 C ATOM 0 H TRP A 41 -3.943 7.820 -3.444 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.030 6.769 -6.085 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.756 4.532 -5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.248 4.737 -4.797 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.045 4.427 -4.152 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.442 3.750 -1.687 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.229 4.804 -2.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.875 3.432 0.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.753 4.296 -0.124 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.553 3.617 1.410 1.00 0.00 H new ATOM 595 N GLN A 42 -6.697 6.479 -5.705 1.00 0.00 N ATOM 596 CA GLN A 42 -8.103 6.861 -5.655 1.00 0.00 C ATOM 597 C GLN A 42 -9.003 5.650 -5.877 1.00 0.00 C ATOM 598 O GLN A 42 -8.615 4.664 -6.503 1.00 0.00 O ATOM 599 CB GLN A 42 -8.401 7.932 -6.705 1.00 0.00 C ATOM 600 CG GLN A 42 -7.727 9.265 -6.422 1.00 0.00 C ATOM 601 CD GLN A 42 -8.379 10.018 -5.279 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.413 9.602 -4.757 1.00 0.00 O ATOM 603 NE2 GLN A 42 -7.775 11.132 -4.883 1.00 0.00 N ATOM 0 H GLN A 42 -6.481 5.753 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.308 7.268 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.078 7.571 -7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.479 8.084 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.677 9.094 -6.187 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.756 9.881 -7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.919 11.440 -5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.167 11.680 -4.117 1.00 0.00 H new ATOM 612 N PRO A 43 -10.236 5.724 -5.353 1.00 0.00 N ATOM 613 CA PRO A 43 -11.217 4.643 -5.481 1.00 0.00 C ATOM 614 C PRO A 43 -11.728 4.490 -6.910 1.00 0.00 C ATOM 615 O PRO A 43 -11.627 5.402 -7.731 1.00 0.00 O ATOM 616 CB PRO A 43 -12.352 5.081 -4.552 1.00 0.00 C ATOM 617 CG PRO A 43 -12.234 6.564 -4.484 1.00 0.00 C ATOM 618 CD PRO A 43 -10.766 6.869 -4.594 1.00 0.00 C ATOM 0 HA PRO A 43 -10.790 3.673 -5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.323 4.779 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.252 4.630 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.792 7.037 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.643 6.945 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.589 7.811 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.298 6.952 -3.613 1.00 0.00 H new ATOM 626 N PRO A 44 -12.290 3.312 -7.216 1.00 0.00 N ATOM 627 CA PRO A 44 -12.829 3.013 -8.546 1.00 0.00 C ATOM 628 C PRO A 44 -14.095 3.807 -8.850 1.00 0.00 C ATOM 629 O PRO A 44 -14.933 4.018 -7.973 1.00 0.00 O ATOM 630 CB PRO A 44 -13.142 1.516 -8.474 1.00 0.00 C ATOM 631 CG PRO A 44 -13.359 1.244 -7.026 1.00 0.00 C ATOM 632 CD PRO A 44 -12.444 2.180 -6.286 1.00 0.00 C ATOM 0 HA PRO A 44 -12.129 3.279 -9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.027 1.268 -9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.320 0.920 -8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.399 1.415 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.132 0.205 -6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.875 2.496 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.486 1.711 -6.061 1.00 0.00 H new ATOM 640 N SER A 45 -14.228 4.245 -10.098 1.00 0.00 N ATOM 641 CA SER A 45 -15.391 5.019 -10.517 1.00 0.00 C ATOM 642 C SER A 45 -16.681 4.249 -10.251 1.00 0.00 C ATOM 643 O SER A 45 -17.710 4.838 -9.923 1.00 0.00 O ATOM 644 CB SER A 45 -15.289 5.368 -12.003 1.00 0.00 C ATOM 645 OG SER A 45 -16.324 6.254 -12.391 1.00 0.00 O ATOM 0 H SER A 45 -13.545 4.077 -10.837 1.00 0.00 H new ATOM 0 HA SER A 45 -15.412 5.940 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.320 5.824 -12.207 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.344 4.457 -12.598 1.00 0.00 H new ATOM 0 HG SER A 45 -16.236 6.463 -13.344 1.00 0.00 H new ATOM 651 N GLU A 46 -16.615 2.929 -10.394 1.00 0.00 N ATOM 652 CA GLU A 46 -17.778 2.078 -10.170 1.00 0.00 C ATOM 653 C GLU A 46 -17.886 1.681 -8.701 1.00 0.00 C ATOM 654 O GLU A 46 -17.631 0.533 -8.337 1.00 0.00 O ATOM 655 CB GLU A 46 -17.696 0.825 -11.044 1.00 0.00 C ATOM 656 CG GLU A 46 -18.049 1.074 -12.501 1.00 0.00 C ATOM 657 CD GLU A 46 -19.230 2.011 -12.663 1.00 0.00 C ATOM 658 OE1 GLU A 46 -20.381 1.532 -12.581 1.00 0.00 O ATOM 659 OE2 GLU A 46 -19.005 3.221 -12.872 1.00 0.00 O ATOM 0 H GLU A 46 -15.770 2.426 -10.664 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.669 2.644 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.686 0.419 -10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.367 0.067 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.184 1.494 -13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -18.275 0.123 -12.984 1.00 0.00 H new ATOM 666 N ALA A 47 -18.265 2.639 -7.862 1.00 0.00 N ATOM 667 CA ALA A 47 -18.409 2.390 -6.433 1.00 0.00 C ATOM 668 C ALA A 47 -19.738 1.708 -6.125 1.00 0.00 C ATOM 669 O ALA A 47 -20.562 2.240 -5.382 1.00 0.00 O ATOM 670 CB ALA A 47 -18.289 3.692 -5.655 1.00 0.00 C ATOM 0 H ALA A 47 -18.478 3.595 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.607 1.720 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.399 3.491 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.312 4.138 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.070 4.381 -5.976 1.00 0.00 H new ATOM 676 N ASN A 48 -19.940 0.528 -6.702 1.00 0.00 N ATOM 677 CA ASN A 48 -21.171 -0.225 -6.491 1.00 0.00 C ATOM 678 C ASN A 48 -21.685 -0.038 -5.066 1.00 0.00 C ATOM 679 O ASN A 48 -22.892 -0.033 -4.827 1.00 0.00 O ATOM 680 CB ASN A 48 -20.938 -1.712 -6.769 1.00 0.00 C ATOM 681 CG ASN A 48 -20.624 -1.984 -8.228 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.927 -1.172 -9.102 1.00 0.00 O ATOM 683 ND2 ASN A 48 -20.013 -3.132 -8.497 1.00 0.00 N ATOM 0 H ASN A 48 -19.267 0.073 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.923 0.154 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.115 -2.070 -6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -21.824 -2.276 -6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.776 -3.370 -9.460 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.781 -3.776 -7.741 1.00 0.00 H new ATOM 690 N GLY A 49 -20.760 0.117 -4.124 1.00 0.00 N ATOM 691 CA GLY A 49 -21.139 0.303 -2.736 1.00 0.00 C ATOM 692 C GLY A 49 -20.474 1.513 -2.111 1.00 0.00 C ATOM 693 O GLY A 49 -20.554 2.620 -2.643 1.00 0.00 O ATOM 0 H GLY A 49 -19.755 0.117 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.221 0.412 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.873 -0.588 -2.167 1.00 0.00 H new ATOM 697 N LYS A 50 -19.815 1.304 -0.975 1.00 0.00 N ATOM 698 CA LYS A 50 -19.134 2.386 -0.275 1.00 0.00 C ATOM 699 C LYS A 50 -17.782 1.922 0.258 1.00 0.00 C ATOM 700 O LYS A 50 -17.707 0.991 1.060 1.00 0.00 O ATOM 701 CB LYS A 50 -19.999 2.900 0.877 1.00 0.00 C ATOM 702 CG LYS A 50 -19.518 4.219 1.457 1.00 0.00 C ATOM 703 CD LYS A 50 -20.640 4.958 2.168 1.00 0.00 C ATOM 704 CE LYS A 50 -20.195 6.338 2.628 1.00 0.00 C ATOM 705 NZ LYS A 50 -20.414 7.370 1.578 1.00 0.00 N ATOM 0 H LYS A 50 -19.739 0.394 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.967 3.196 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.024 3.019 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.019 2.150 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.703 4.034 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.118 4.844 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.495 5.055 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.973 4.376 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.743 6.615 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.138 6.309 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.098 8.296 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.871 7.120 0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.426 7.416 1.342 1.00 0.00 H new ATOM 719 N ILE A 51 -16.717 2.578 -0.191 1.00 0.00 N ATOM 720 CA ILE A 51 -15.369 2.234 0.243 1.00 0.00 C ATOM 721 C ILE A 51 -15.080 2.794 1.632 1.00 0.00 C ATOM 722 O ILE A 51 -15.115 4.006 1.846 1.00 0.00 O ATOM 723 CB ILE A 51 -14.308 2.761 -0.741 1.00 0.00 C ATOM 724 CG1 ILE A 51 -14.770 2.549 -2.185 1.00 0.00 C ATOM 725 CG2 ILE A 51 -12.973 2.073 -0.500 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.078 1.105 -2.514 1.00 0.00 C ATOM 0 H ILE A 51 -16.762 3.351 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.315 1.146 0.273 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.178 3.830 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.660 3.152 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.996 2.911 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.234 2.456 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.641 2.270 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.086 0.998 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.399 1.029 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.184 0.499 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.873 0.745 -1.861 1.00 0.00 H new ATOM 738 N THR A 52 -14.792 1.902 2.575 1.00 0.00 N ATOM 739 CA THR A 52 -14.495 2.305 3.944 1.00 0.00 C ATOM 740 C THR A 52 -13.183 1.695 4.425 1.00 0.00 C ATOM 741 O THR A 52 -12.785 1.882 5.574 1.00 0.00 O ATOM 742 CB THR A 52 -15.623 1.893 4.908 1.00 0.00 C ATOM 743 OG1 THR A 52 -15.136 1.877 6.254 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.171 0.521 4.545 1.00 0.00 C ATOM 0 H THR A 52 -14.758 0.895 2.415 1.00 0.00 H new ATOM 0 HA THR A 52 -14.408 3.392 3.941 1.00 0.00 H new ATOM 0 HB THR A 52 -16.428 2.623 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.321 2.417 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.966 0.251 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.568 0.545 3.530 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.372 -0.218 4.605 1.00 0.00 H new ATOM 752 N GLY A 53 -12.514 0.966 3.537 1.00 0.00 N ATOM 753 CA GLY A 53 -11.254 0.340 3.890 1.00 0.00 C ATOM 754 C GLY A 53 -10.420 -0.012 2.674 1.00 0.00 C ATOM 755 O GLY A 53 -10.944 -0.506 1.676 1.00 0.00 O ATOM 0 H GLY A 53 -12.823 0.798 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.686 1.012 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.450 -0.564 4.466 1.00 0.00 H new ATOM 759 N TYR A 54 -9.119 0.245 2.756 1.00 0.00 N ATOM 760 CA TYR A 54 -8.212 -0.044 1.652 1.00 0.00 C ATOM 761 C TYR A 54 -7.082 -0.965 2.102 1.00 0.00 C ATOM 762 O TYR A 54 -6.760 -1.037 3.288 1.00 0.00 O ATOM 763 CB TYR A 54 -7.632 1.255 1.088 1.00 0.00 C ATOM 764 CG TYR A 54 -8.683 2.277 0.720 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.318 3.033 1.697 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.039 2.490 -0.606 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.279 3.968 1.365 1.00 0.00 C ATOM 768 CE2 TYR A 54 -9.998 3.423 -0.948 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.615 4.160 0.041 1.00 0.00 C ATOM 770 OH TYR A 54 -11.571 5.091 -0.294 1.00 0.00 O ATOM 0 H TYR A 54 -8.669 0.653 3.576 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.780 -0.550 0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.955 1.690 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.037 1.024 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.056 2.887 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.557 1.916 -1.383 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.765 4.545 2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.263 3.575 -1.984 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.689 5.103 -1.267 1.00 0.00 H new ATOM 780 N ILE A 55 -6.485 -1.668 1.146 1.00 0.00 N ATOM 781 CA ILE A 55 -5.390 -2.584 1.442 1.00 0.00 C ATOM 782 C ILE A 55 -4.262 -2.439 0.426 1.00 0.00 C ATOM 783 O ILE A 55 -4.501 -2.407 -0.781 1.00 0.00 O ATOM 784 CB ILE A 55 -5.869 -4.048 1.455 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.103 -4.196 2.347 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.753 -4.966 1.929 1.00 0.00 C ATOM 787 CD1 ILE A 55 -8.016 -5.329 1.933 1.00 0.00 C ATOM 0 H ILE A 55 -6.741 -1.621 0.160 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.019 -2.323 2.433 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.142 -4.335 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.780 -4.358 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.666 -3.263 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.107 -5.997 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.899 -4.878 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.452 -4.682 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.869 -5.374 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.368 -5.159 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.469 -6.271 1.975 1.00 0.00 H new ATOM 799 N ILE A 56 -3.033 -2.353 0.924 1.00 0.00 N ATOM 800 CA ILE A 56 -1.867 -2.214 0.060 1.00 0.00 C ATOM 801 C ILE A 56 -0.948 -3.425 0.179 1.00 0.00 C ATOM 802 O ILE A 56 -0.532 -3.796 1.277 1.00 0.00 O ATOM 803 CB ILE A 56 -1.068 -0.941 0.394 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.925 0.303 0.154 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.206 -0.883 -0.437 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.261 1.589 0.597 1.00 0.00 C ATOM 0 H ILE A 56 -2.819 -2.377 1.921 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.238 -2.142 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.790 -0.969 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.161 0.372 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.871 0.191 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.761 0.022 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.822 -1.756 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.051 -0.874 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.926 2.429 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.050 1.540 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.329 1.725 0.049 1.00 0.00 H new ATOM 818 N TYR A 57 -0.633 -4.035 -0.957 1.00 0.00 N ATOM 819 CA TYR A 57 0.238 -5.205 -0.981 1.00 0.00 C ATOM 820 C TYR A 57 1.571 -4.878 -1.648 1.00 0.00 C ATOM 821 O TYR A 57 1.611 -4.410 -2.786 1.00 0.00 O ATOM 822 CB TYR A 57 -0.444 -6.359 -1.717 1.00 0.00 C ATOM 823 CG TYR A 57 -1.883 -6.574 -1.305 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.893 -5.746 -1.780 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.232 -7.604 -0.441 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.209 -5.938 -1.406 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.546 -7.805 -0.063 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.530 -6.969 -0.548 1.00 0.00 C ATOM 829 OH TYR A 57 -5.840 -7.164 -0.172 1.00 0.00 O ATOM 0 H TYR A 57 -0.967 -3.739 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 57 0.432 -5.504 0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.407 -6.167 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.117 -7.276 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.645 -4.939 -2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.463 -8.259 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.982 -5.285 -1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.801 -8.612 0.608 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.895 -7.932 0.434 1.00 0.00 H new ATOM 839 N TYR A 58 2.660 -5.129 -0.931 1.00 0.00 N ATOM 840 CA TYR A 58 3.996 -4.861 -1.450 1.00 0.00 C ATOM 841 C TYR A 58 4.955 -5.995 -1.099 1.00 0.00 C ATOM 842 O TYR A 58 4.803 -6.655 -0.072 1.00 0.00 O ATOM 843 CB TYR A 58 4.526 -3.539 -0.895 1.00 0.00 C ATOM 844 CG TYR A 58 4.986 -3.627 0.543 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.111 -4.365 0.890 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.295 -2.971 1.555 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.534 -4.448 2.202 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.711 -3.048 2.870 1.00 0.00 C ATOM 849 CZ TYR A 58 5.831 -3.788 3.189 1.00 0.00 C ATOM 850 OH TYR A 58 6.250 -3.868 4.497 1.00 0.00 O ATOM 0 H TYR A 58 2.644 -5.518 0.012 1.00 0.00 H new ATOM 0 HA TYR A 58 3.929 -4.790 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.358 -3.202 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.745 -2.783 -0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.664 -4.883 0.120 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.418 -2.391 1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.410 -5.026 2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.163 -2.532 3.644 1.00 0.00 H new ATOM 0 HH TYR A 58 5.647 -3.346 5.066 1.00 0.00 H new ATOM 860 N SER A 59 5.944 -6.213 -1.960 1.00 0.00 N ATOM 861 CA SER A 59 6.927 -7.268 -1.744 1.00 0.00 C ATOM 862 C SER A 59 8.079 -7.149 -2.737 1.00 0.00 C ATOM 863 O SER A 59 8.049 -6.317 -3.645 1.00 0.00 O ATOM 864 CB SER A 59 6.268 -8.642 -1.872 1.00 0.00 C ATOM 865 OG SER A 59 7.144 -9.670 -1.442 1.00 0.00 O ATOM 0 H SER A 59 6.086 -5.673 -2.814 1.00 0.00 H new ATOM 0 HA SER A 59 7.327 -7.157 -0.736 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.354 -8.667 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.980 -8.815 -2.909 1.00 0.00 H new ATOM 0 HG SER A 59 6.699 -10.538 -1.532 1.00 0.00 H new ATOM 871 N THR A 60 9.095 -7.987 -2.559 1.00 0.00 N ATOM 872 CA THR A 60 10.258 -7.977 -3.437 1.00 0.00 C ATOM 873 C THR A 60 10.134 -9.036 -4.526 1.00 0.00 C ATOM 874 O THR A 60 11.122 -9.659 -4.915 1.00 0.00 O ATOM 875 CB THR A 60 11.559 -8.216 -2.649 1.00 0.00 C ATOM 876 OG1 THR A 60 11.524 -9.504 -2.024 1.00 0.00 O ATOM 877 CG2 THR A 60 11.758 -7.140 -1.593 1.00 0.00 C ATOM 0 H THR A 60 9.136 -8.682 -1.814 1.00 0.00 H new ATOM 0 HA THR A 60 10.298 -6.990 -3.898 1.00 0.00 H new ATOM 0 HB THR A 60 12.394 -8.175 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.356 -9.649 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.683 -7.330 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.814 -6.164 -2.074 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.919 -7.154 -0.897 1.00 0.00 H new ATOM 885 N ASP A 61 8.915 -9.236 -5.015 1.00 0.00 N ATOM 886 CA ASP A 61 8.663 -10.220 -6.061 1.00 0.00 C ATOM 887 C ASP A 61 7.362 -9.910 -6.797 1.00 0.00 C ATOM 888 O ASP A 61 6.312 -9.741 -6.177 1.00 0.00 O ATOM 889 CB ASP A 61 8.602 -11.627 -5.464 1.00 0.00 C ATOM 890 CG ASP A 61 9.969 -12.275 -5.372 1.00 0.00 C ATOM 891 OD1 ASP A 61 10.501 -12.691 -6.422 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.507 -12.368 -4.248 1.00 0.00 O ATOM 0 H ASP A 61 8.086 -8.730 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 61 9.485 -10.172 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.158 -11.578 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.948 -12.250 -6.074 1.00 0.00 H new ATOM 897 N VAL A 62 7.441 -9.834 -8.121 1.00 0.00 N ATOM 898 CA VAL A 62 6.271 -9.544 -8.941 1.00 0.00 C ATOM 899 C VAL A 62 5.541 -10.825 -9.330 1.00 0.00 C ATOM 900 O VAL A 62 4.321 -10.833 -9.490 1.00 0.00 O ATOM 901 CB VAL A 62 6.657 -8.778 -10.220 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.184 -9.736 -11.278 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.469 -7.989 -10.748 1.00 0.00 C ATOM 0 H VAL A 62 8.303 -9.969 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 62 5.610 -8.921 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 62 7.451 -8.073 -9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.452 -9.177 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.065 -10.252 -10.896 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.414 -10.467 -11.523 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.760 -7.454 -11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.652 -8.672 -10.978 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.142 -7.274 -9.993 1.00 0.00 H new ATOM 913 N ASN A 63 6.297 -11.908 -9.482 1.00 0.00 N ATOM 914 CA ASN A 63 5.722 -13.196 -9.852 1.00 0.00 C ATOM 915 C ASN A 63 5.465 -14.053 -8.616 1.00 0.00 C ATOM 916 O ASN A 63 5.476 -15.281 -8.687 1.00 0.00 O ATOM 917 CB ASN A 63 6.654 -13.936 -10.814 1.00 0.00 C ATOM 918 CG ASN A 63 6.977 -13.118 -12.050 1.00 0.00 C ATOM 919 OD1 ASN A 63 8.133 -13.024 -12.462 1.00 0.00 O ATOM 920 ND2 ASN A 63 5.953 -12.520 -12.648 1.00 0.00 N ATOM 0 H ASN A 63 7.309 -11.919 -9.355 1.00 0.00 H new ATOM 0 HA ASN A 63 4.769 -13.011 -10.348 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.580 -14.189 -10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.190 -14.876 -11.114 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.109 -11.956 -13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.011 -12.625 -12.272 1.00 0.00 H new ATOM 927 N ALA A 64 5.233 -13.395 -7.485 1.00 0.00 N ATOM 928 CA ALA A 64 4.970 -14.096 -6.234 1.00 0.00 C ATOM 929 C ALA A 64 3.481 -14.096 -5.908 1.00 0.00 C ATOM 930 O ALA A 64 2.783 -13.113 -6.152 1.00 0.00 O ATOM 931 CB ALA A 64 5.761 -13.463 -5.099 1.00 0.00 C ATOM 0 H ALA A 64 5.222 -12.378 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 64 5.289 -15.132 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.555 -13.996 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.826 -13.520 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.469 -12.419 -4.990 1.00 0.00 H new ATOM 937 N GLU A 65 3.001 -15.206 -5.355 1.00 0.00 N ATOM 938 CA GLU A 65 1.594 -15.334 -4.997 1.00 0.00 C ATOM 939 C GLU A 65 1.202 -14.294 -3.951 1.00 0.00 C ATOM 940 O GLU A 65 1.947 -14.039 -3.005 1.00 0.00 O ATOM 941 CB GLU A 65 1.304 -16.740 -4.467 1.00 0.00 C ATOM 942 CG GLU A 65 1.106 -17.774 -5.562 1.00 0.00 C ATOM 943 CD GLU A 65 0.543 -19.080 -5.036 1.00 0.00 C ATOM 944 OE1 GLU A 65 0.801 -19.407 -3.859 1.00 0.00 O ATOM 945 OE2 GLU A 65 -0.157 -19.775 -5.803 1.00 0.00 O ATOM 0 H GLU A 65 3.566 -16.029 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 65 1.001 -15.163 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.128 -17.055 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.410 -16.707 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.433 -17.371 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.060 -17.965 -6.053 1.00 0.00 H new ATOM 952 N ILE A 66 0.028 -13.696 -4.130 1.00 0.00 N ATOM 953 CA ILE A 66 -0.463 -12.685 -3.203 1.00 0.00 C ATOM 954 C ILE A 66 -0.196 -13.089 -1.757 1.00 0.00 C ATOM 955 O ILE A 66 -0.073 -12.238 -0.875 1.00 0.00 O ATOM 956 CB ILE A 66 -1.972 -12.439 -3.385 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.366 -11.086 -2.790 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.773 -13.561 -2.742 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.789 -9.905 -3.538 1.00 0.00 C ATOM 0 H ILE A 66 -0.600 -13.895 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 66 0.076 -11.764 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.197 -12.424 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.453 -11.005 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.036 -11.045 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.838 -13.373 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.509 -14.510 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.547 -13.605 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.110 -8.979 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.701 -9.962 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.140 -9.921 -4.570 1.00 0.00 H new ATOM 971 N HIS A 67 -0.107 -14.394 -1.520 1.00 0.00 N ATOM 972 CA HIS A 67 0.147 -14.912 -0.180 1.00 0.00 C ATOM 973 C HIS A 67 1.437 -14.331 0.391 1.00 0.00 C ATOM 974 O HIS A 67 1.475 -13.888 1.539 1.00 0.00 O ATOM 975 CB HIS A 67 0.231 -16.439 -0.208 1.00 0.00 C ATOM 976 CG HIS A 67 -0.669 -17.069 -1.226 1.00 0.00 C ATOM 977 ND1 HIS A 67 -0.373 -18.258 -1.859 1.00 0.00 N ATOM 978 CD2 HIS A 67 -1.865 -16.670 -1.719 1.00 0.00 C ATOM 979 CE1 HIS A 67 -1.347 -18.562 -2.699 1.00 0.00 C ATOM 980 NE2 HIS A 67 -2.265 -17.614 -2.632 1.00 0.00 N ATOM 0 H HIS A 67 -0.207 -15.112 -2.238 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.682 -14.613 0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.260 -16.735 -0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.022 -16.827 0.779 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.467 -18.816 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.404 -15.775 -1.445 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.386 -19.436 -3.332 1.00 0.00 H new ATOM 989 N ASP A 68 2.492 -14.337 -0.417 1.00 0.00 N ATOM 990 CA ASP A 68 3.784 -13.811 0.008 1.00 0.00 C ATOM 991 C ASP A 68 3.706 -12.305 0.241 1.00 0.00 C ATOM 992 O ASP A 68 4.380 -11.768 1.121 1.00 0.00 O ATOM 993 CB ASP A 68 4.855 -14.123 -1.039 1.00 0.00 C ATOM 994 CG ASP A 68 5.386 -15.537 -0.920 1.00 0.00 C ATOM 995 OD1 ASP A 68 5.864 -15.901 0.175 1.00 0.00 O ATOM 996 OD2 ASP A 68 5.323 -16.281 -1.921 1.00 0.00 O ATOM 0 H ASP A 68 2.478 -14.700 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 68 4.055 -14.293 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.438 -13.977 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.680 -13.418 -0.932 1.00 0.00 H new ATOM 1001 N TRP A 69 2.882 -11.630 -0.552 1.00 0.00 N ATOM 1002 CA TRP A 69 2.718 -10.186 -0.432 1.00 0.00 C ATOM 1003 C TRP A 69 2.170 -9.813 0.941 1.00 0.00 C ATOM 1004 O TRP A 69 1.280 -10.480 1.467 1.00 0.00 O ATOM 1005 CB TRP A 69 1.785 -9.665 -1.526 1.00 0.00 C ATOM 1006 CG TRP A 69 2.358 -9.792 -2.906 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.717 -10.946 -3.541 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.639 -8.724 -3.818 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.205 -10.660 -4.794 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.167 -9.305 -4.988 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.495 -7.336 -3.761 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.551 -8.543 -6.088 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 2.876 -6.581 -4.854 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.398 -7.186 -6.005 1.00 0.00 C ATOM 0 H TRP A 69 2.317 -12.059 -1.285 1.00 0.00 H new ATOM 0 HA TRP A 69 3.698 -9.723 -0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.843 -10.211 -1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.557 -8.617 -1.330 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.630 -11.937 -3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.541 -11.346 -5.470 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.093 -6.861 -2.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 3.955 -9.007 -6.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.770 -5.507 -4.820 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.685 -6.569 -6.843 1.00 0.00 H new ATOM 1025 N VAL A 70 2.707 -8.741 1.516 1.00 0.00 N ATOM 1026 CA VAL A 70 2.270 -8.278 2.828 1.00 0.00 C ATOM 1027 C VAL A 70 0.933 -7.550 2.737 1.00 0.00 C ATOM 1028 O VAL A 70 0.590 -6.990 1.696 1.00 0.00 O ATOM 1029 CB VAL A 70 3.310 -7.340 3.467 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.296 -5.981 2.784 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.053 -7.198 4.960 1.00 0.00 C ATOM 0 H VAL A 70 3.445 -8.177 1.094 1.00 0.00 H new ATOM 0 HA VAL A 70 2.157 -9.163 3.454 1.00 0.00 H new ATOM 0 HB VAL A 70 4.299 -7.777 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.038 -5.332 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.533 -6.103 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.307 -5.533 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.797 -6.532 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.057 -6.784 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.120 -8.177 5.435 1.00 0.00 H new ATOM 1041 N ILE A 71 0.183 -7.563 3.833 1.00 0.00 N ATOM 1042 CA ILE A 71 -1.116 -6.903 3.878 1.00 0.00 C ATOM 1043 C ILE A 71 -1.060 -5.636 4.725 1.00 0.00 C ATOM 1044 O ILE A 71 -0.920 -5.700 5.945 1.00 0.00 O ATOM 1045 CB ILE A 71 -2.203 -7.836 4.441 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.293 -9.114 3.605 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.547 -7.124 4.475 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -3.013 -10.245 4.305 1.00 0.00 C ATOM 0 H ILE A 71 0.452 -8.023 4.702 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.371 -6.640 2.852 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.932 -8.110 5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.806 -8.891 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.286 -9.441 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.305 -7.797 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.475 -6.240 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.825 -6.824 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.039 -11.118 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.488 -10.495 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.032 -9.937 4.540 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.171 -4.486 4.068 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.134 -3.204 4.761 1.00 0.00 C ATOM 1062 C GLU A 72 -2.507 -2.538 4.747 1.00 0.00 C ATOM 1063 O GLU A 72 -2.816 -1.713 3.888 1.00 0.00 O ATOM 1064 CB GLU A 72 -0.100 -2.279 4.116 1.00 0.00 C ATOM 1065 CG GLU A 72 1.296 -2.426 4.698 1.00 0.00 C ATOM 1066 CD GLU A 72 1.291 -2.501 6.213 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.464 -1.805 6.838 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.114 -3.256 6.772 1.00 0.00 O ATOM 0 H GLU A 72 -1.287 -4.416 3.057 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.849 -3.389 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.061 -2.482 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.426 -1.246 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.761 -3.326 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.908 -1.582 4.382 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.352 -2.904 5.723 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.705 -2.355 5.845 1.00 0.00 C ATOM 1077 C PRO A 73 -4.700 -0.889 6.266 1.00 0.00 C ATOM 1078 O PRO A 73 -4.103 -0.526 7.279 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.342 -3.222 6.934 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.194 -3.719 7.743 1.00 0.00 C ATOM 1081 CD PRO A 73 -3.050 -3.882 6.781 1.00 0.00 C ATOM 0 HA PRO A 73 -5.241 -2.376 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.036 -2.644 7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.909 -4.047 6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.941 -3.014 8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.437 -4.666 8.225 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.092 -3.675 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.998 -4.897 6.387 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.371 -0.051 5.482 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.445 1.375 5.774 1.00 0.00 C ATOM 1091 C VAL A 74 -6.655 1.696 6.645 1.00 0.00 C ATOM 1092 O VAL A 74 -7.692 1.039 6.551 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.520 2.210 4.482 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.461 3.696 4.802 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.402 1.817 3.528 1.00 0.00 C ATOM 0 H VAL A 74 -5.871 -0.336 4.640 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.534 1.635 6.313 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.473 2.006 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.515 4.270 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.300 3.963 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.526 3.921 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.470 2.417 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.438 1.991 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.496 0.761 3.273 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.516 2.710 7.492 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.598 3.120 8.379 1.00 0.00 C ATOM 1107 C VAL A 75 -8.215 4.437 7.921 1.00 0.00 C ATOM 1108 O VAL A 75 -7.697 5.097 7.022 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.106 3.273 9.831 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.547 1.956 10.347 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.066 4.378 9.926 1.00 0.00 C ATOM 0 H VAL A 75 -5.664 3.263 7.583 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.354 2.335 8.340 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.954 3.549 10.457 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.204 2.084 11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.325 1.193 10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.710 1.646 9.721 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.729 4.473 10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.217 4.134 9.288 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.506 5.321 9.600 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.326 4.813 8.548 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.995 6.050 8.191 1.00 0.00 C ATOM 1123 C GLY A 76 -10.172 6.203 6.694 1.00 0.00 C ATOM 1124 O GLY A 76 -10.040 7.302 6.156 1.00 0.00 O ATOM 0 H GLY A 76 -9.774 4.283 9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.971 6.084 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.421 6.894 8.574 1.00 0.00 H new ATOM 1128 N ASN A 77 -10.470 5.098 6.019 1.00 0.00 N ATOM 1129 CA ASN A 77 -10.663 5.114 4.573 1.00 0.00 C ATOM 1130 C ASN A 77 -9.649 6.033 3.899 1.00 0.00 C ATOM 1131 O ASN A 77 -9.963 6.707 2.918 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.084 5.566 4.232 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.461 6.861 4.926 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -11.980 7.935 4.565 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.326 6.764 5.929 1.00 0.00 N ATOM 0 H ASN A 77 -10.583 4.180 6.450 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.512 4.101 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.172 5.696 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.789 4.785 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.617 7.601 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.699 5.853 6.194 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.432 6.055 4.433 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.372 6.892 3.884 1.00 0.00 C ATOM 1144 C ARG A 78 -6.922 6.374 2.520 1.00 0.00 C ATOM 1145 O ARG A 78 -6.751 5.170 2.327 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.181 6.937 4.842 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.388 8.232 4.768 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.504 8.415 5.992 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.731 9.652 5.929 1.00 0.00 N ATOM 1150 CZ ARG A 78 -3.042 10.141 6.953 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -3.029 9.501 8.114 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -2.363 11.273 6.818 1.00 0.00 N ATOM 0 H ARG A 78 -8.156 5.503 5.245 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.767 7.900 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.540 6.799 5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.517 6.101 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.771 8.231 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.073 9.075 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.123 8.420 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.825 7.567 6.078 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.720 10.169 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.549 8.630 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.499 9.879 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.370 11.769 5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.834 11.647 7.606 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.733 7.292 1.578 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.304 6.929 0.232 1.00 0.00 C ATOM 1168 C LEU A 79 -4.783 6.975 0.115 1.00 0.00 C ATOM 1169 O LEU A 79 -4.220 6.644 -0.929 1.00 0.00 O ATOM 1170 CB LEU A 79 -6.935 7.869 -0.796 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.461 7.953 -0.781 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -8.940 9.119 -1.633 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.072 6.648 -1.268 1.00 0.00 C ATOM 0 H LEU A 79 -6.870 8.292 1.722 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.635 5.909 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.534 8.870 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.618 7.553 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.786 8.122 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.029 9.163 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.531 10.049 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.604 8.981 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.159 6.726 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.739 6.448 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.756 5.833 -0.617 1.00 0.00 H new ATOM 1185 N THR A 80 -4.124 7.387 1.193 1.00 0.00 N ATOM 1186 CA THR A 80 -2.669 7.475 1.212 1.00 0.00 C ATOM 1187 C THR A 80 -2.088 6.728 2.407 1.00 0.00 C ATOM 1188 O THR A 80 -2.630 6.787 3.512 1.00 0.00 O ATOM 1189 CB THR A 80 -2.196 8.940 1.257 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.771 8.991 1.387 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.843 9.682 2.417 1.00 0.00 C ATOM 0 H THR A 80 -4.575 7.665 2.065 1.00 0.00 H new ATOM 0 HA THR A 80 -2.312 7.014 0.291 1.00 0.00 H new ATOM 0 HB THR A 80 -2.493 9.423 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.478 9.926 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.494 10.715 2.429 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.927 9.667 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.573 9.197 3.355 1.00 0.00 H new ATOM 1199 N HIS A 81 -0.983 6.026 2.180 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.327 5.268 3.240 1.00 0.00 C ATOM 1201 C HIS A 81 1.176 5.529 3.244 1.00 0.00 C ATOM 1202 O HIS A 81 1.822 5.506 2.197 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.596 3.773 3.068 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.388 2.979 4.320 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.894 3.358 5.545 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.276 1.818 4.533 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.550 2.467 6.457 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.161 1.522 5.868 1.00 0.00 N ATOM 0 H HIS A 81 -0.523 5.966 1.272 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.738 5.596 4.195 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.621 3.634 2.726 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.057 3.382 2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.799 1.234 3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.806 2.504 7.506 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.560 0.705 6.331 1.00 0.00 H new ATOM 1217 N GLN A 82 1.725 5.777 4.429 1.00 0.00 N ATOM 1218 CA GLN A 82 3.152 6.044 4.569 1.00 0.00 C ATOM 1219 C GLN A 82 3.905 4.781 4.973 1.00 0.00 C ATOM 1220 O GLN A 82 3.644 4.203 6.029 1.00 0.00 O ATOM 1221 CB GLN A 82 3.387 7.146 5.603 1.00 0.00 C ATOM 1222 CG GLN A 82 3.253 8.551 5.037 1.00 0.00 C ATOM 1223 CD GLN A 82 1.807 8.979 4.877 1.00 0.00 C ATOM 1224 OE1 GLN A 82 0.922 8.151 4.661 1.00 0.00 O ATOM 1225 NE2 GLN A 82 1.560 10.280 4.984 1.00 0.00 N ATOM 0 H GLN A 82 1.204 5.799 5.305 1.00 0.00 H new ATOM 0 HA GLN A 82 3.531 6.377 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.676 7.023 6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.384 7.028 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.766 9.254 5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.751 8.598 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.324 10.931 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.606 10.628 4.887 1.00 0.00 H new ATOM 1234 N ILE A 83 4.839 4.359 4.128 1.00 0.00 N ATOM 1235 CA ILE A 83 5.630 3.165 4.399 1.00 0.00 C ATOM 1236 C ILE A 83 7.100 3.513 4.601 1.00 0.00 C ATOM 1237 O ILE A 83 7.738 4.088 3.719 1.00 0.00 O ATOM 1238 CB ILE A 83 5.509 2.139 3.257 1.00 0.00 C ATOM 1239 CG1 ILE A 83 4.056 1.686 3.099 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.416 0.945 3.519 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.833 0.772 1.916 1.00 0.00 C ATOM 0 H ILE A 83 5.067 4.826 3.250 1.00 0.00 H new ATOM 0 HA ILE A 83 5.234 2.726 5.315 1.00 0.00 H new ATOM 0 HB ILE A 83 5.824 2.614 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.743 1.173 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.420 2.565 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.319 0.229 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.451 1.282 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.129 0.468 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.781 0.491 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.114 1.289 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.443 -0.124 2.029 1.00 0.00 H new ATOM 1253 N GLN A 84 7.632 3.160 5.767 1.00 0.00 N ATOM 1254 CA GLN A 84 9.028 3.435 6.084 1.00 0.00 C ATOM 1255 C GLN A 84 9.799 2.140 6.316 1.00 0.00 C ATOM 1256 O GLN A 84 9.258 1.047 6.151 1.00 0.00 O ATOM 1257 CB GLN A 84 9.126 4.330 7.321 1.00 0.00 C ATOM 1258 CG GLN A 84 8.002 5.349 7.425 1.00 0.00 C ATOM 1259 CD GLN A 84 8.404 6.583 8.208 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.288 6.528 9.064 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.756 7.705 7.919 1.00 0.00 N ATOM 0 H GLN A 84 7.117 2.683 6.507 1.00 0.00 H new ATOM 0 HA GLN A 84 9.472 3.953 5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.122 3.704 8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.081 4.855 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.691 5.645 6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.139 4.885 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.030 7.705 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.984 8.567 8.414 1.00 0.00 H new ATOM 1270 N GLU A 85 11.065 2.271 6.701 1.00 0.00 N ATOM 1271 CA GLU A 85 11.910 1.110 6.955 1.00 0.00 C ATOM 1272 C GLU A 85 12.037 0.246 5.704 1.00 0.00 C ATOM 1273 O GLU A 85 12.139 -0.979 5.789 1.00 0.00 O ATOM 1274 CB GLU A 85 11.340 0.279 8.106 1.00 0.00 C ATOM 1275 CG GLU A 85 11.648 0.851 9.480 1.00 0.00 C ATOM 1276 CD GLU A 85 10.710 0.330 10.552 1.00 0.00 C ATOM 1277 OE1 GLU A 85 9.567 0.826 10.634 1.00 0.00 O ATOM 1278 OE2 GLU A 85 11.121 -0.574 11.310 1.00 0.00 O ATOM 0 H GLU A 85 11.527 3.169 6.844 1.00 0.00 H new ATOM 0 HA GLU A 85 12.902 1.468 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.259 0.203 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.740 -0.733 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.675 0.605 9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.581 1.938 9.440 1.00 0.00 H new ATOM 1285 N LEU A 86 12.028 0.891 4.543 1.00 0.00 N ATOM 1286 CA LEU A 86 12.142 0.183 3.273 1.00 0.00 C ATOM 1287 C LEU A 86 13.594 0.128 2.808 1.00 0.00 C ATOM 1288 O LEU A 86 14.445 0.866 3.304 1.00 0.00 O ATOM 1289 CB LEU A 86 11.279 0.862 2.208 1.00 0.00 C ATOM 1290 CG LEU A 86 9.792 0.504 2.220 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.063 1.215 1.091 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.606 -1.002 2.112 1.00 0.00 C ATOM 0 H LEU A 86 11.943 1.904 4.455 1.00 0.00 H new ATOM 0 HA LEU A 86 11.789 -0.837 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.373 1.941 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.684 0.613 1.227 1.00 0.00 H new ATOM 0 HG LEU A 86 9.365 0.836 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.006 0.948 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.168 2.293 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.491 0.914 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.542 -1.239 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.048 -1.357 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.094 -1.490 2.955 1.00 0.00 H new ATOM 1304 N THR A 87 13.870 -0.752 1.850 1.00 0.00 N ATOM 1305 CA THR A 87 15.218 -0.903 1.317 1.00 0.00 C ATOM 1306 C THR A 87 15.460 0.054 0.155 1.00 0.00 C ATOM 1307 O THR A 87 14.577 0.276 -0.674 1.00 0.00 O ATOM 1308 CB THR A 87 15.476 -2.345 0.842 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.048 -3.275 1.844 1.00 0.00 O ATOM 1310 CG2 THR A 87 16.952 -2.560 0.541 1.00 0.00 C ATOM 0 H THR A 87 13.178 -1.371 1.428 1.00 0.00 H new ATOM 0 HA THR A 87 15.907 -0.667 2.128 1.00 0.00 H new ATOM 0 HB THR A 87 14.907 -2.510 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.288 -3.794 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.110 -3.586 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.268 -1.871 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.537 -2.378 1.442 1.00 0.00 H new ATOM 1318 N LEU A 88 16.662 0.617 0.099 1.00 0.00 N ATOM 1319 CA LEU A 88 17.021 1.550 -0.963 1.00 0.00 C ATOM 1320 C LEU A 88 17.631 0.814 -2.152 1.00 0.00 C ATOM 1321 O LEU A 88 18.043 -0.340 -2.034 1.00 0.00 O ATOM 1322 CB LEU A 88 18.005 2.597 -0.438 1.00 0.00 C ATOM 1323 CG LEU A 88 17.714 3.151 0.957 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.914 3.922 1.486 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.478 4.038 0.932 1.00 0.00 C ATOM 0 H LEU A 88 17.404 0.444 0.777 1.00 0.00 H new ATOM 0 HA LEU A 88 16.111 2.050 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.003 2.158 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.027 3.430 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 88 17.522 2.313 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.689 4.309 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.777 3.258 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.138 4.752 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.286 4.423 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.642 4.871 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.619 3.456 0.597 1.00 0.00 H new ATOM 1337 N ASP A 89 17.685 1.489 -3.294 1.00 0.00 N ATOM 1338 CA ASP A 89 18.248 0.901 -4.504 1.00 0.00 C ATOM 1339 C ASP A 89 17.661 -0.484 -4.758 1.00 0.00 C ATOM 1340 O ASP A 89 18.382 -1.426 -5.089 1.00 0.00 O ATOM 1341 CB ASP A 89 19.770 0.810 -4.393 1.00 0.00 C ATOM 1342 CG ASP A 89 20.398 0.115 -5.585 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.283 0.645 -6.710 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.004 -0.960 -5.393 1.00 0.00 O ATOM 0 H ASP A 89 17.346 2.444 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 89 17.991 1.546 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.185 1.814 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.033 0.272 -3.482 1.00 0.00 H new ATOM 1349 N THR A 90 16.346 -0.602 -4.601 1.00 0.00 N ATOM 1350 CA THR A 90 15.662 -1.872 -4.811 1.00 0.00 C ATOM 1351 C THR A 90 14.243 -1.654 -5.325 1.00 0.00 C ATOM 1352 O THR A 90 13.444 -0.933 -4.726 1.00 0.00 O ATOM 1353 CB THR A 90 15.603 -2.700 -3.513 1.00 0.00 C ATOM 1354 OG1 THR A 90 16.911 -2.801 -2.938 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.054 -4.092 -3.784 1.00 0.00 C ATOM 0 H THR A 90 15.733 0.167 -4.329 1.00 0.00 H new ATOM 0 HA THR A 90 16.236 -2.420 -5.558 1.00 0.00 H new ATOM 0 HB THR A 90 14.937 -2.194 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.176 -1.931 -2.574 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.022 -4.658 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.048 -4.013 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.698 -4.605 -4.498 1.00 0.00 H new ATOM 1363 N PRO A 91 13.920 -2.290 -6.461 1.00 0.00 N ATOM 1364 CA PRO A 91 12.596 -2.181 -7.080 1.00 0.00 C ATOM 1365 C PRO A 91 11.516 -2.883 -6.264 1.00 0.00 C ATOM 1366 O PRO A 91 11.471 -4.112 -6.203 1.00 0.00 O ATOM 1367 CB PRO A 91 12.779 -2.873 -8.433 1.00 0.00 C ATOM 1368 CG PRO A 91 13.908 -3.823 -8.223 1.00 0.00 C ATOM 1369 CD PRO A 91 14.823 -3.164 -7.228 1.00 0.00 C ATOM 0 HA PRO A 91 12.266 -1.145 -7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.872 -3.397 -8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.008 -2.153 -9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.548 -4.781 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.429 -4.023 -9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.314 -3.896 -6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.610 -2.594 -7.722 1.00 0.00 H new ATOM 1377 N TYR A 92 10.647 -2.096 -5.640 1.00 0.00 N ATOM 1378 CA TYR A 92 9.567 -2.642 -4.826 1.00 0.00 C ATOM 1379 C TYR A 92 8.220 -2.464 -5.518 1.00 0.00 C ATOM 1380 O TYR A 92 7.838 -1.352 -5.883 1.00 0.00 O ATOM 1381 CB TYR A 92 9.542 -1.966 -3.454 1.00 0.00 C ATOM 1382 CG TYR A 92 10.390 -2.668 -2.417 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.773 -2.539 -2.419 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.807 -3.460 -1.436 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.551 -3.179 -1.474 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.577 -4.103 -0.486 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.948 -3.960 -0.510 1.00 0.00 C ATOM 1388 OH TYR A 92 12.720 -4.598 0.434 1.00 0.00 O ATOM 0 H TYR A 92 10.669 -1.077 -5.682 1.00 0.00 H new ATOM 0 HA TYR A 92 9.749 -3.709 -4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.888 -0.938 -3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.512 -1.921 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.248 -1.928 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.733 -3.575 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.625 -3.069 -1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.108 -4.714 0.271 1.00 0.00 H new ATOM 0 HH TYR A 92 12.142 -5.106 1.040 1.00 0.00 H new ATOM 1398 N TYR A 93 7.503 -3.568 -5.695 1.00 0.00 N ATOM 1399 CA TYR A 93 6.198 -3.536 -6.345 1.00 0.00 C ATOM 1400 C TYR A 93 5.091 -3.262 -5.331 1.00 0.00 C ATOM 1401 O TYR A 93 4.970 -3.959 -4.323 1.00 0.00 O ATOM 1402 CB TYR A 93 5.930 -4.860 -7.064 1.00 0.00 C ATOM 1403 CG TYR A 93 7.152 -5.440 -7.739 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.105 -6.141 -7.011 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.353 -5.288 -9.105 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.223 -6.673 -7.623 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.468 -5.817 -9.726 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.400 -6.508 -8.981 1.00 0.00 C ATOM 1409 OH TYR A 93 10.512 -7.037 -9.596 1.00 0.00 O ATOM 0 H TYR A 93 7.803 -4.496 -5.398 1.00 0.00 H new ATOM 0 HA TYR A 93 6.204 -2.728 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.545 -5.583 -6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.151 -4.707 -7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.969 -6.272 -5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.625 -4.747 -9.692 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.954 -7.215 -7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.609 -5.690 -10.789 1.00 0.00 H new ATOM 0 HH TYR A 93 10.484 -6.833 -10.554 1.00 0.00 H new ATOM 1419 N PHE A 94 4.284 -2.243 -5.607 1.00 0.00 N ATOM 1420 CA PHE A 94 3.187 -1.875 -4.720 1.00 0.00 C ATOM 1421 C PHE A 94 1.838 -2.145 -5.382 1.00 0.00 C ATOM 1422 O PHE A 94 1.693 -2.015 -6.597 1.00 0.00 O ATOM 1423 CB PHE A 94 3.290 -0.399 -4.331 1.00 0.00 C ATOM 1424 CG PHE A 94 4.584 -0.046 -3.656 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.705 0.279 -4.403 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.680 -0.039 -2.273 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.897 0.605 -3.784 1.00 0.00 C ATOM 1428 CE2 PHE A 94 5.869 0.286 -1.649 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.980 0.607 -2.405 1.00 0.00 C ATOM 0 H PHE A 94 4.369 -1.657 -6.438 1.00 0.00 H new ATOM 0 HA PHE A 94 3.260 -2.486 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.178 0.213 -5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.463 -0.148 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.647 0.278 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.815 -0.290 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.763 0.858 -4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.930 0.289 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.911 0.859 -1.919 1.00 0.00 H new ATOM 1439 N LYS A 95 0.854 -2.524 -4.573 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.483 -2.812 -5.077 1.00 0.00 C ATOM 1441 C LYS A 95 -1.548 -2.172 -4.193 1.00 0.00 C ATOM 1442 O LYS A 95 -1.341 -1.983 -2.994 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.707 -4.325 -5.150 1.00 0.00 C ATOM 1444 CG LYS A 95 -0.277 -4.941 -6.470 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.807 -6.356 -6.623 1.00 0.00 C ATOM 1446 CE LYS A 95 0.058 -7.176 -7.569 1.00 0.00 C ATOM 1447 NZ LYS A 95 -0.258 -6.891 -8.996 1.00 0.00 N ATOM 0 H LYS A 95 0.958 -2.639 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.566 -2.389 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.158 -4.804 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.764 -4.535 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.637 -4.325 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.811 -4.950 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.841 -6.840 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.830 -6.324 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.109 -6.960 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.090 -8.237 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.625 -6.842 -9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.860 -7.649 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.760 -5.983 -9.066 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.687 -1.841 -4.792 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.784 -1.224 -4.058 1.00 0.00 C ATOM 1463 C ILE A 96 -5.109 -1.913 -4.368 1.00 0.00 C ATOM 1464 O ILE A 96 -5.336 -2.365 -5.489 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.909 0.276 -4.387 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.594 0.998 -4.086 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.054 0.897 -3.600 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.368 2.223 -4.943 1.00 0.00 C ATOM 0 H ILE A 96 -2.874 -1.990 -5.784 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.557 -1.337 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.125 0.383 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.582 1.292 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.766 0.304 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.130 1.957 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.987 0.397 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.866 0.782 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.417 2.684 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.348 1.933 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.176 2.936 -4.779 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.979 -1.987 -3.366 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.282 -2.620 -3.532 1.00 0.00 C ATOM 1482 C GLN A 97 -8.352 -1.881 -2.735 1.00 0.00 C ATOM 1483 O GLN A 97 -8.054 -1.220 -1.741 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.222 -4.084 -3.092 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.487 -4.866 -3.405 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.285 -6.365 -3.307 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.063 -7.040 -4.313 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.361 -6.896 -2.092 1.00 0.00 N ATOM 0 H GLN A 97 -5.805 -1.617 -2.432 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.546 -2.576 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.376 -4.567 -3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.036 -4.125 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.276 -4.564 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.826 -4.614 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.547 -6.300 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.234 -7.900 -1.965 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.600 -1.997 -3.179 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.714 -1.342 -2.506 1.00 0.00 C ATOM 1499 C ALA A 98 -11.639 -2.363 -1.853 1.00 0.00 C ATOM 1500 O ALA A 98 -12.067 -3.325 -2.492 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.490 -0.478 -3.490 1.00 0.00 C ATOM 0 H ALA A 98 -9.864 -2.539 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.307 -0.705 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.320 0.006 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.829 0.282 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.878 -1.102 -4.295 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.942 -2.149 -0.577 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.814 -3.053 0.163 1.00 0.00 C ATOM 1509 C ARG A 99 -13.858 -2.273 0.957 1.00 0.00 C ATOM 1510 O ARG A 99 -13.575 -1.196 1.481 1.00 0.00 O ATOM 1511 CB ARG A 99 -11.991 -3.932 1.107 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.722 -4.300 2.388 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.807 -5.025 3.362 1.00 0.00 C ATOM 1514 NE ARG A 99 -12.171 -4.764 4.753 1.00 0.00 N ATOM 1515 CZ ARG A 99 -11.386 -5.053 5.784 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -10.198 -5.608 5.583 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -11.787 -4.785 7.020 1.00 0.00 N ATOM 0 H ARG A 99 -11.597 -1.358 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.330 -3.689 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.708 -4.846 0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.068 -3.412 1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.113 -3.397 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.578 -4.932 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.851 -6.097 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.777 -4.713 3.192 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.078 -4.336 4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.885 -5.814 4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.597 -5.829 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.699 -4.357 7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.183 -5.007 7.812 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.064 -2.824 1.041 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.150 -2.179 1.771 1.00 0.00 C ATOM 1533 C ASN A 100 -16.726 -3.116 2.828 1.00 0.00 C ATOM 1534 O ASN A 100 -16.307 -4.267 2.948 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.253 -1.743 0.804 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.631 -2.839 -0.173 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.053 -3.925 -0.160 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.608 -2.557 -1.029 1.00 0.00 N ATOM 0 H ASN A 100 -15.314 -3.715 0.613 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.746 -1.299 2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.135 -1.447 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.921 -0.865 0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.906 -3.255 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.060 -1.643 -1.004 1.00 0.00 H new ATOM 1545 N SER A 101 -17.690 -2.613 3.593 1.00 0.00 N ATOM 1546 CA SER A 101 -18.323 -3.403 4.643 1.00 0.00 C ATOM 1547 C SER A 101 -18.717 -4.782 4.123 1.00 0.00 C ATOM 1548 O SER A 101 -18.891 -5.725 4.895 1.00 0.00 O ATOM 1549 CB SER A 101 -19.556 -2.678 5.184 1.00 0.00 C ATOM 1550 OG SER A 101 -19.186 -1.564 5.977 1.00 0.00 O ATOM 0 H SER A 101 -18.050 -1.663 3.505 1.00 0.00 H new ATOM 0 HA SER A 101 -17.602 -3.531 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.180 -2.346 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.156 -3.368 5.778 1.00 0.00 H new ATOM 0 HG SER A 101 -19.992 -1.117 6.309 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.857 -4.893 2.806 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.229 -6.155 2.179 1.00 0.00 C ATOM 1558 C LYS A 102 -18.016 -7.068 2.029 1.00 0.00 C ATOM 1559 O LYS A 102 -17.967 -8.152 2.609 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.861 -5.901 0.808 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.296 -5.410 0.882 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.365 -3.942 1.267 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.649 -3.622 2.017 1.00 0.00 C ATOM 1564 NZ LYS A 102 -22.688 -2.203 2.469 1.00 0.00 N ATOM 0 H LYS A 102 -18.718 -4.123 2.152 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.957 -6.650 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.261 -5.166 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.831 -6.823 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.782 -5.557 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.848 -6.004 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.506 -3.687 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.303 -3.326 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -23.505 -3.822 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -22.739 -4.281 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.546 -2.042 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.849 -2.000 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.696 -1.575 1.640 1.00 0.00 H new ATOM 1578 N GLY A 103 -17.036 -6.620 1.250 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.836 -7.408 1.040 1.00 0.00 C ATOM 1580 C GLY A 103 -14.774 -6.652 0.265 1.00 0.00 C ATOM 1581 O GLY A 103 -14.704 -5.425 0.331 1.00 0.00 O ATOM 0 H GLY A 103 -17.052 -5.725 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.430 -7.711 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.094 -8.320 0.502 1.00 0.00 H new ATOM 1585 N MET A 104 -13.945 -7.386 -0.470 1.00 0.00 N ATOM 1586 CA MET A 104 -12.882 -6.777 -1.260 1.00 0.00 C ATOM 1587 C MET A 104 -13.007 -7.165 -2.730 1.00 0.00 C ATOM 1588 O MET A 104 -13.633 -8.169 -3.066 1.00 0.00 O ATOM 1589 CB MET A 104 -11.513 -7.200 -0.724 1.00 0.00 C ATOM 1590 CG MET A 104 -11.509 -7.496 0.767 1.00 0.00 C ATOM 1591 SD MET A 104 -9.844 -7.649 1.441 1.00 0.00 S ATOM 1592 CE MET A 104 -9.503 -9.377 1.112 1.00 0.00 C ATOM 0 H MET A 104 -13.989 -8.403 -0.535 1.00 0.00 H new ATOM 0 HA MET A 104 -12.978 -5.694 -1.179 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.179 -8.087 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.791 -6.410 -0.931 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.038 -6.701 1.293 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.058 -8.420 0.951 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.505 -9.626 1.473 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.239 -9.997 1.624 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.557 -9.561 0.039 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.406 -6.361 -3.603 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.463 -6.637 -5.026 1.00 0.00 C ATOM 1604 C GLY A 105 -11.166 -7.216 -5.557 1.00 0.00 C ATOM 1605 O GLY A 105 -10.324 -7.703 -4.802 1.00 0.00 O ATOM 0 H GLY A 105 -11.881 -5.524 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.277 -7.334 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.693 -5.716 -5.563 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.992 -7.167 -6.886 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.791 -7.687 -7.547 1.00 0.00 C ATOM 1611 C PRO A 106 -8.557 -6.841 -7.255 1.00 0.00 C ATOM 1612 O PRO A 106 -8.661 -5.639 -7.013 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.148 -7.620 -9.034 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.173 -6.544 -9.130 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.954 -6.601 -7.846 1.00 0.00 C ATOM 0 HA PRO A 106 -9.536 -8.689 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.273 -7.388 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.540 -8.573 -9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.704 -5.569 -9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.824 -6.701 -9.990 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.294 -5.612 -7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.841 -7.227 -7.943 1.00 0.00 H new ATOM 1623 N MET A 107 -7.390 -7.476 -7.281 1.00 0.00 N ATOM 1624 CA MET A 107 -6.135 -6.779 -7.022 1.00 0.00 C ATOM 1625 C MET A 107 -5.729 -5.927 -8.220 1.00 0.00 C ATOM 1626 O MET A 107 -6.049 -6.252 -9.363 1.00 0.00 O ATOM 1627 CB MET A 107 -5.028 -7.783 -6.697 1.00 0.00 C ATOM 1628 CG MET A 107 -5.038 -8.252 -5.251 1.00 0.00 C ATOM 1629 SD MET A 107 -6.344 -9.450 -4.918 1.00 0.00 S ATOM 1630 CE MET A 107 -6.274 -9.540 -3.131 1.00 0.00 C ATOM 0 H MET A 107 -7.287 -8.471 -7.479 1.00 0.00 H new ATOM 0 HA MET A 107 -6.283 -6.122 -6.165 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.130 -8.648 -7.352 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.061 -7.329 -6.917 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.072 -8.697 -5.011 1.00 0.00 H new ATOM 0 HG3 MET A 107 -5.164 -7.391 -4.595 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.281 -9.664 -2.733 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.659 -10.390 -2.833 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.839 -8.622 -2.737 1.00 0.00 H new ATOM 1640 N SER A 108 -5.023 -4.834 -7.950 1.00 0.00 N ATOM 1641 CA SER A 108 -4.576 -3.932 -9.005 1.00 0.00 C ATOM 1642 C SER A 108 -3.237 -4.385 -9.577 1.00 0.00 C ATOM 1643 O SER A 108 -2.620 -5.323 -9.072 1.00 0.00 O ATOM 1644 CB SER A 108 -4.458 -2.504 -8.469 1.00 0.00 C ATOM 1645 OG SER A 108 -3.280 -2.345 -7.697 1.00 0.00 O ATOM 0 H SER A 108 -4.748 -4.551 -7.009 1.00 0.00 H new ATOM 0 HA SER A 108 -5.317 -3.952 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.449 -1.800 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.330 -2.267 -7.860 1.00 0.00 H new ATOM 0 HG SER A 108 -3.055 -1.393 -7.636 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.793 -3.712 -10.634 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.527 -4.047 -11.275 1.00 0.00 C ATOM 1653 C GLU A 109 -0.348 -3.669 -10.382 1.00 0.00 C ATOM 1654 O GLU A 109 -0.380 -2.650 -9.692 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.408 -3.333 -12.623 1.00 0.00 C ATOM 1656 CG GLU A 109 -2.093 -4.068 -13.763 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.500 -3.727 -15.117 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -0.273 -3.507 -15.189 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -2.264 -3.681 -16.104 1.00 0.00 O ATOM 0 H GLU A 109 -3.291 -2.932 -11.064 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.506 -5.124 -11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.837 -2.335 -12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.353 -3.206 -12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.015 -5.142 -13.597 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.155 -3.822 -13.763 1.00 0.00 H new ATOM 1666 N ALA A 110 0.690 -4.498 -10.401 1.00 0.00 N ATOM 1667 CA ALA A 110 1.880 -4.251 -9.595 1.00 0.00 C ATOM 1668 C ALA A 110 2.648 -3.038 -10.107 1.00 0.00 C ATOM 1669 O ALA A 110 3.080 -3.005 -11.259 1.00 0.00 O ATOM 1670 CB ALA A 110 2.776 -5.481 -9.586 1.00 0.00 C ATOM 0 H ALA A 110 0.731 -5.347 -10.965 1.00 0.00 H new ATOM 0 HA ALA A 110 1.560 -4.041 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.660 -5.282 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.230 -6.326 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.080 -5.717 -10.606 1.00 0.00 H new ATOM 1676 N VAL A 111 2.814 -2.041 -9.244 1.00 0.00 N ATOM 1677 CA VAL A 111 3.531 -0.825 -9.609 1.00 0.00 C ATOM 1678 C VAL A 111 4.988 -0.891 -9.165 1.00 0.00 C ATOM 1679 O VAL A 111 5.288 -0.791 -7.976 1.00 0.00 O ATOM 1680 CB VAL A 111 2.873 0.422 -8.990 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.699 1.665 -9.285 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.450 0.584 -9.503 1.00 0.00 C ATOM 0 H VAL A 111 2.462 -2.051 -8.287 1.00 0.00 H new ATOM 0 HA VAL A 111 3.489 -0.747 -10.695 1.00 0.00 H new ATOM 0 HB VAL A 111 2.833 0.290 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.218 2.536 -8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.697 1.547 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.774 1.804 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.000 1.470 -9.055 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.464 0.693 -10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.864 -0.295 -9.235 1.00 0.00 H new ATOM 1692 N GLN A 112 5.887 -1.059 -10.128 1.00 0.00 N ATOM 1693 CA GLN A 112 7.314 -1.138 -9.835 1.00 0.00 C ATOM 1694 C GLN A 112 7.896 0.249 -9.583 1.00 0.00 C ATOM 1695 O GLN A 112 8.172 0.997 -10.521 1.00 0.00 O ATOM 1696 CB GLN A 112 8.056 -1.814 -10.990 1.00 0.00 C ATOM 1697 CG GLN A 112 9.489 -2.192 -10.653 1.00 0.00 C ATOM 1698 CD GLN A 112 10.237 -2.762 -11.842 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.635 -3.323 -12.758 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.558 -2.622 -11.834 1.00 0.00 N ATOM 0 H GLN A 112 5.654 -1.143 -11.117 1.00 0.00 H new ATOM 0 HA GLN A 112 7.442 -1.734 -8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.512 -2.711 -11.285 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.058 -1.145 -11.851 1.00 0.00 H new ATOM 0 HG2 GLN A 112 10.016 -1.312 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.487 -2.923 -9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.016 -2.150 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.114 -2.986 -12.607 1.00 0.00 H new ATOM 1709 N PHE A 113 8.079 0.585 -8.311 1.00 0.00 N ATOM 1710 CA PHE A 113 8.627 1.883 -7.935 1.00 0.00 C ATOM 1711 C PHE A 113 10.029 1.734 -7.352 1.00 0.00 C ATOM 1712 O PHE A 113 10.213 1.124 -6.298 1.00 0.00 O ATOM 1713 CB PHE A 113 7.712 2.573 -6.921 1.00 0.00 C ATOM 1714 CG PHE A 113 8.330 3.784 -6.283 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.066 3.669 -5.115 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.174 5.039 -6.850 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.636 4.781 -4.525 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.742 6.154 -6.266 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.473 6.026 -5.101 1.00 0.00 C ATOM 0 H PHE A 113 7.856 -0.023 -7.523 1.00 0.00 H new ATOM 0 HA PHE A 113 8.690 2.496 -8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.787 2.866 -7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.443 1.859 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.196 2.698 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.601 5.146 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.208 4.677 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.615 7.126 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.916 6.897 -4.642 1.00 0.00 H new ATOM 1729 N ARG A 114 11.015 2.294 -8.046 1.00 0.00 N ATOM 1730 CA ARG A 114 12.401 2.221 -7.599 1.00 0.00 C ATOM 1731 C ARG A 114 12.629 3.120 -6.387 1.00 0.00 C ATOM 1732 O ARG A 114 12.431 4.334 -6.454 1.00 0.00 O ATOM 1733 CB ARG A 114 13.346 2.624 -8.732 1.00 0.00 C ATOM 1734 CG ARG A 114 14.739 2.027 -8.605 1.00 0.00 C ATOM 1735 CD ARG A 114 15.478 2.051 -9.933 1.00 0.00 C ATOM 1736 NE ARG A 114 16.796 1.430 -9.837 1.00 0.00 N ATOM 1737 CZ ARG A 114 17.731 1.540 -10.775 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.492 2.243 -11.874 1.00 0.00 N ATOM 1739 NH2 ARG A 114 18.906 0.945 -10.615 1.00 0.00 N ATOM 0 H ARG A 114 10.880 2.803 -8.920 1.00 0.00 H new ATOM 0 HA ARG A 114 12.610 1.191 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 114 12.912 2.314 -9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.427 3.711 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.308 2.584 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.665 1.000 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 114 14.886 1.531 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.587 3.082 -10.269 1.00 0.00 H new ATOM 0 HE ARG A 114 17.011 0.882 -9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.589 2.701 -12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.211 2.326 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.092 0.403 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 114 19.623 1.030 -11.335 1.00 0.00 H new ATOM 1753 N THR A 115 13.047 2.517 -5.279 1.00 0.00 N ATOM 1754 CA THR A 115 13.300 3.261 -4.052 1.00 0.00 C ATOM 1755 C THR A 115 14.379 4.317 -4.263 1.00 0.00 C ATOM 1756 O THR A 115 15.319 4.134 -5.037 1.00 0.00 O ATOM 1757 CB THR A 115 13.730 2.326 -2.906 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.755 1.434 -3.359 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.545 1.525 -2.388 1.00 0.00 C ATOM 0 H THR A 115 13.218 1.514 -5.206 1.00 0.00 H new ATOM 0 HA THR A 115 12.364 3.750 -3.780 1.00 0.00 H new ATOM 0 HB THR A 115 14.117 2.939 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 115 15.302 1.882 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.873 0.872 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.780 2.206 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.132 0.922 -3.197 1.00 0.00 H new ATOM 1767 N PRO A 116 14.245 5.451 -3.558 1.00 0.00 N ATOM 1768 CA PRO A 116 15.200 6.559 -3.651 1.00 0.00 C ATOM 1769 C PRO A 116 16.548 6.215 -3.026 1.00 0.00 C ATOM 1770 O PRO A 116 16.856 5.046 -2.791 1.00 0.00 O ATOM 1771 CB PRO A 116 14.518 7.682 -2.866 1.00 0.00 C ATOM 1772 CG PRO A 116 13.614 6.982 -1.911 1.00 0.00 C ATOM 1773 CD PRO A 116 13.150 5.738 -2.617 1.00 0.00 C ATOM 0 HA PRO A 116 15.424 6.819 -4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.248 8.298 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 116 13.959 8.344 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.138 6.734 -0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.769 7.614 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 116 12.993 4.915 -1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.206 5.900 -3.137 1.00 0.00 H new ATOM 1781 N LYS A 117 17.350 7.240 -2.760 1.00 0.00 N ATOM 1782 CA LYS A 117 18.666 7.048 -2.161 1.00 0.00 C ATOM 1783 C LYS A 117 18.961 8.138 -1.136 1.00 0.00 C ATOM 1784 O LYS A 117 18.323 9.191 -1.134 1.00 0.00 O ATOM 1785 CB LYS A 117 19.747 7.045 -3.244 1.00 0.00 C ATOM 1786 CG LYS A 117 19.695 5.828 -4.152 1.00 0.00 C ATOM 1787 CD LYS A 117 20.650 4.743 -3.684 1.00 0.00 C ATOM 1788 CE LYS A 117 20.070 3.953 -2.521 1.00 0.00 C ATOM 1789 NZ LYS A 117 20.923 2.786 -2.162 1.00 0.00 N ATOM 0 H LYS A 117 17.112 8.213 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 117 18.669 6.084 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.644 7.945 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.726 7.091 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.679 5.434 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 117 19.948 6.122 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.868 4.067 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.595 5.194 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 117 19.965 4.606 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.070 3.606 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.329 1.937 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.633 2.633 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.404 2.972 -1.259 1.00 0.00 H new ATOM 1803 N ALA A 118 19.933 7.879 -0.267 1.00 0.00 N ATOM 1804 CA ALA A 118 20.315 8.840 0.760 1.00 0.00 C ATOM 1805 C ALA A 118 21.422 9.765 0.263 1.00 0.00 C ATOM 1806 O ALA A 118 22.356 10.082 0.999 1.00 0.00 O ATOM 1807 CB ALA A 118 20.758 8.115 2.023 1.00 0.00 C ATOM 0 H ALA A 118 20.470 7.012 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 118 19.443 9.452 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.040 8.845 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 118 19.938 7.502 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.613 7.478 1.796 1.00 0.00 H new