USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 CYS SG : rot -150:sc= 0.854 USER MOD Set 1.2: A 104 ASN : amide:sc= -0.139 X(o=1.1,f=1.2) USER MOD Set 1.3: A 105 CYS SG : rot 127:sc= 0.374 USER MOD Set 1.4: A 118 HIS : no HE2:sc= -0.387 X(o=1.1,f=1.2) USER MOD Set 1.5: A 125 CYS SG : rot -104:sc= 0.429 USER MOD Set 2.1: A 119 CYS SG : rot -136:sc= 0.359 USER MOD Set 2.2: A 122 CYS SG : rot 47:sc= 0.526! USER MOD Set 3.1: A 85 TYR OH : rot 177:sc= -1.19 USER MOD Set 3.2: A 87 CYS SG : rot -126:sc= 0.42 USER MOD Set 3.3: A 90 CYS SG : rot 154:sc= 0.434 USER MOD Set 3.4: A 101 HIS : no HD1:sc= -0.0365 X(o=-3.5,f=-3.8) USER MOD Set 3.5: A 108 CYS SG : rot -109:sc= -3.15! USER MOD Set 4.1: A 62 CYS SG : rot 164:sc= 0.213 USER MOD Set 4.2: A 64 ASN : amide:sc= 0.377 K(o=0.9,f=-0.45) USER MOD Set 4.3: A 65 CYS SG : rot -52:sc= -0.375 USER MOD Set 4.4: A 69 GLN :FLIP amide:sc= -2.9! C(o=-0.63!,f=0.9!) USER MOD Set 4.5: A 75 CYS SG : rot -153:sc= 1.04 USER MOD Set 4.6: A 78 CYS SG : rot 101:sc= 2.02 USER MOD Set 4.7: A 80 THR OG1 : rot 94:sc= 0.527! USER MOD Set 5.1: A 46 ASN : amide:sc= 0.142 X(o=0.5,f=0.2) USER MOD Set 5.2: A 47 ASN : amide:sc= 0.359 K(o=0.5,f=-0.11) USER MOD Set 6.1: A 36 LYS NZ :NH3+ 168:sc= 0.75 (180deg=0.655) USER MOD Set 6.2: A 38 TYR OH : rot -142:sc= 0.265 USER MOD Set 7.1: A 33 CYS SG : rot 59:sc= -2! USER MOD Set 7.2: A 34 CYS SG : rot 178:sc= 0.939 USER MOD Set 7.3: A 44 HIS : no HE2:sc= -3.43! C(o=-4.4!,f=-8!) USER MOD Set 7.4: A 50 HIS : no HD1:sc= 0.0473 K(o=-4.4,f=-5.2) USER MOD Set 8.1: A 20 CYS SG : rot -111:sc= -0.489 USER MOD Set 8.2: A 22 HIS : no HD1:sc= 0.0914 X(o=-4.3,f=-4.5) USER MOD Set 8.3: A 40 CYS SG : rot 122:sc= -3.93! USER MOD Set 8.4: A 43 CYS SG : rot 78:sc= 0.0303 USER MOD Single : A 23 TYR OH : rot 165:sc= 0.511 USER MOD Single : A 27 CYS SG : rot 110:sc= 1.79 USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= 0.355 (180deg=0.176) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc=-0.00775 (180deg=-0.0907) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0338) USER MOD Single : A 61 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.19) USER MOD Single : A 67 LYS NZ :NH3+ -120:sc= 1.97 (180deg=-0.239) USER MOD Single : A 70 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.449 K(o=0.45,f=-0.56) USER MOD Single : A 73 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 91 HIS : no HD1:sc= -0.744 X(o=-0.74,f=-1.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 0.727 (180deg=0.702) USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= 0.311 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.596 K(o=-0.6,f=-2.7!) USER MOD Single : A 100 TYR OH : rot 150:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc=-0.00685 (180deg=-0.136) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 MET CE :methyl -152:sc= -0.283 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.970 7.793 -9.330 1.00 0.00 N ATOM 232 CA ARG A 18 -8.918 7.321 -8.402 1.00 0.00 C ATOM 233 C ARG A 18 -9.553 6.570 -7.222 1.00 0.00 C ATOM 234 O ARG A 18 -10.778 6.606 -7.036 1.00 0.00 O ATOM 235 CB ARG A 18 -7.991 8.473 -7.889 1.00 0.00 C ATOM 236 CG ARG A 18 -8.677 9.780 -7.415 1.00 0.00 C ATOM 237 CD ARG A 18 -9.045 10.707 -8.589 1.00 0.00 C ATOM 238 NE ARG A 18 -9.388 12.069 -8.152 1.00 0.00 N ATOM 239 CZ ARG A 18 -9.447 13.141 -8.957 1.00 0.00 C ATOM 240 NH1 ARG A 18 -9.254 13.018 -10.263 1.00 0.00 N ATOM 241 NH2 ARG A 18 -9.698 14.337 -8.446 1.00 0.00 N ATOM 0 HA ARG A 18 -8.279 6.641 -8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.397 8.085 -7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.296 8.728 -8.689 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.578 9.532 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.013 10.309 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.208 10.754 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.889 10.281 -9.132 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.597 12.209 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.058 12.101 -10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.301 13.840 -10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.846 14.442 -7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.743 15.153 -9.056 1.00 0.00 H new ATOM 255 N GLY A 19 -8.699 5.898 -6.423 1.00 0.00 N ATOM 256 CA GLY A 19 -9.159 5.001 -5.354 1.00 0.00 C ATOM 257 C GLY A 19 -9.613 3.644 -5.895 1.00 0.00 C ATOM 258 O GLY A 19 -9.632 3.429 -7.118 1.00 0.00 O ATOM 0 H GLY A 19 -7.684 5.963 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.354 4.853 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.983 5.471 -4.817 1.00 0.00 H new ATOM 262 N CYS A 20 -9.939 2.716 -4.987 1.00 0.00 N ATOM 263 CA CYS A 20 -10.439 1.373 -5.344 1.00 0.00 C ATOM 264 C CYS A 20 -11.151 0.738 -4.138 1.00 0.00 C ATOM 265 O CYS A 20 -10.940 1.161 -2.995 1.00 0.00 O ATOM 266 CB CYS A 20 -9.281 0.465 -5.836 1.00 0.00 C ATOM 267 SG CYS A 20 -9.785 -1.202 -6.412 1.00 0.00 S ATOM 0 H CYS A 20 -9.865 2.871 -3.981 1.00 0.00 H new ATOM 0 HA CYS A 20 -11.155 1.475 -6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.764 0.972 -6.651 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.562 0.349 -5.025 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.349 -2.099 -5.579 1.00 0.00 H new ATOM 272 N GLU A 21 -11.964 -0.305 -4.416 1.00 0.00 N ATOM 273 CA GLU A 21 -12.724 -1.072 -3.396 1.00 0.00 C ATOM 274 C GLU A 21 -11.805 -1.743 -2.338 1.00 0.00 C ATOM 275 O GLU A 21 -12.265 -2.091 -1.244 1.00 0.00 O ATOM 276 CB GLU A 21 -13.599 -2.144 -4.102 1.00 0.00 C ATOM 277 CG GLU A 21 -12.801 -3.133 -4.981 1.00 0.00 C ATOM 278 CD GLU A 21 -13.689 -4.156 -5.709 1.00 0.00 C ATOM 279 OE1 GLU A 21 -14.246 -3.823 -6.780 1.00 0.00 O ATOM 280 OE2 GLU A 21 -13.850 -5.292 -5.203 1.00 0.00 O ATOM 0 H GLU A 21 -12.115 -0.644 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.355 -0.364 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.145 -2.707 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.341 -1.641 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.227 -2.571 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.083 -3.665 -4.357 1.00 0.00 H new ATOM 287 N HIS A 22 -10.519 -1.932 -2.682 1.00 0.00 N ATOM 288 CA HIS A 22 -9.521 -2.536 -1.787 1.00 0.00 C ATOM 289 C HIS A 22 -8.763 -1.433 -1.031 1.00 0.00 C ATOM 290 O HIS A 22 -8.667 -1.454 0.198 1.00 0.00 O ATOM 291 CB HIS A 22 -8.526 -3.404 -2.614 1.00 0.00 C ATOM 292 CG HIS A 22 -9.187 -4.455 -3.469 1.00 0.00 C ATOM 293 ND1 HIS A 22 -9.160 -4.394 -4.844 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.871 -5.569 -3.096 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.817 -5.458 -5.267 1.00 0.00 C ATOM 296 NE2 HIS A 22 -10.265 -6.195 -4.247 1.00 0.00 N ATOM 0 H HIS A 22 -10.143 -1.668 -3.593 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.027 -3.174 -1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.935 -2.749 -3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.831 -3.892 -1.930 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.066 -5.897 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.973 -5.702 -6.307 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.800 -7.061 -4.314 1.00 0.00 H new ATOM 304 N TYR A 23 -8.211 -0.472 -1.799 1.00 0.00 N ATOM 305 CA TYR A 23 -7.376 0.630 -1.270 1.00 0.00 C ATOM 306 C TYR A 23 -7.791 1.964 -1.888 1.00 0.00 C ATOM 307 O TYR A 23 -7.935 2.070 -3.109 1.00 0.00 O ATOM 308 CB TYR A 23 -5.878 0.360 -1.559 1.00 0.00 C ATOM 309 CG TYR A 23 -5.345 -0.866 -0.815 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.998 -0.800 0.539 1.00 0.00 C ATOM 311 CD2 TYR A 23 -5.246 -2.097 -1.451 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.566 -1.918 1.215 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.815 -3.207 -0.782 1.00 0.00 C ATOM 314 CZ TYR A 23 -4.477 -3.120 0.553 1.00 0.00 C ATOM 315 OH TYR A 23 -4.043 -4.236 1.223 1.00 0.00 O ATOM 0 H TYR A 23 -8.332 -0.437 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.525 0.682 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.739 0.219 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.294 1.235 -1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.070 0.143 1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.515 -2.178 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.298 -1.852 2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.739 -4.153 -1.298 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.256 -5.036 0.698 1.00 0.00 H new ATOM 325 N ASP A 24 -7.956 2.975 -1.030 1.00 0.00 N ATOM 326 CA ASP A 24 -8.359 4.329 -1.425 1.00 0.00 C ATOM 327 C ASP A 24 -7.161 5.268 -1.264 1.00 0.00 C ATOM 328 O ASP A 24 -6.823 5.670 -0.142 1.00 0.00 O ATOM 329 CB ASP A 24 -9.554 4.798 -0.560 1.00 0.00 C ATOM 330 CG ASP A 24 -10.826 3.972 -0.812 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.527 4.247 -1.810 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.117 3.043 -0.028 1.00 0.00 O ATOM 0 H ASP A 24 -7.811 2.875 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.678 4.336 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.284 4.730 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.759 5.848 -0.769 1.00 0.00 H new ATOM 337 N ARG A 25 -6.493 5.564 -2.390 1.00 0.00 N ATOM 338 CA ARG A 25 -5.262 6.367 -2.411 1.00 0.00 C ATOM 339 C ARG A 25 -5.198 7.233 -3.680 1.00 0.00 C ATOM 340 O ARG A 25 -5.913 6.978 -4.666 1.00 0.00 O ATOM 341 CB ARG A 25 -4.040 5.417 -2.330 1.00 0.00 C ATOM 342 CG ARG A 25 -3.902 4.456 -3.527 1.00 0.00 C ATOM 343 CD ARG A 25 -3.041 3.218 -3.244 1.00 0.00 C ATOM 344 NE ARG A 25 -1.611 3.531 -3.077 1.00 0.00 N ATOM 345 CZ ARG A 25 -0.776 2.868 -2.265 1.00 0.00 C ATOM 346 NH1 ARG A 25 -1.258 2.053 -1.327 1.00 0.00 N ATOM 347 NH2 ARG A 25 0.531 3.095 -2.328 1.00 0.00 N ATOM 0 H ARG A 25 -6.793 5.252 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.254 7.040 -1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.133 6.017 -2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.111 4.830 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.896 4.131 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.471 5.000 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.407 2.728 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.158 2.508 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.230 4.307 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.266 1.932 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.619 1.550 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.899 3.774 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.167 2.590 -1.710 1.00 0.00 H new ATOM 361 N GLY A 26 -4.315 8.242 -3.640 1.00 0.00 N ATOM 362 CA GLY A 26 -4.059 9.122 -4.778 1.00 0.00 C ATOM 363 C GLY A 26 -2.775 8.763 -5.512 1.00 0.00 C ATOM 364 O GLY A 26 -2.135 9.644 -6.105 1.00 0.00 O ATOM 0 H GLY A 26 -3.760 8.467 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.898 9.068 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.999 10.153 -4.430 1.00 0.00 H new ATOM 368 N CYS A 27 -2.407 7.457 -5.505 1.00 0.00 N ATOM 369 CA CYS A 27 -1.197 6.956 -6.192 1.00 0.00 C ATOM 370 C CYS A 27 -1.351 5.520 -6.719 1.00 0.00 C ATOM 371 O CYS A 27 -1.986 4.674 -6.088 1.00 0.00 O ATOM 372 CB CYS A 27 0.066 7.084 -5.302 1.00 0.00 C ATOM 373 SG CYS A 27 1.013 8.572 -5.652 1.00 0.00 S ATOM 0 H CYS A 27 -2.938 6.730 -5.026 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.067 7.598 -7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.232 7.086 -4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.701 6.211 -5.451 1.00 0.00 H new ATOM 0 HG CYS A 27 0.900 9.402 -4.658 1.00 0.00 H new ATOM 379 N LEU A 28 -0.761 5.281 -7.906 1.00 0.00 N ATOM 380 CA LEU A 28 -0.619 3.949 -8.505 1.00 0.00 C ATOM 381 C LEU A 28 0.796 3.433 -8.211 1.00 0.00 C ATOM 382 O LEU A 28 1.766 4.160 -8.402 1.00 0.00 O ATOM 383 CB LEU A 28 -0.815 4.006 -10.046 1.00 0.00 C ATOM 384 CG LEU A 28 -2.139 4.649 -10.563 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.115 4.865 -12.091 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.366 3.819 -10.162 1.00 0.00 C ATOM 0 H LEU A 28 -0.364 6.024 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.377 3.290 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.021 4.559 -10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.757 2.989 -10.434 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.217 5.626 -10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.055 5.315 -12.410 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.289 5.527 -12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.983 3.906 -12.592 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.269 4.299 -10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.282 2.818 -10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.419 3.750 -9.075 1.00 0.00 H new ATOM 398 N LEU A 29 0.895 2.188 -7.770 1.00 0.00 N ATOM 399 CA LEU A 29 2.178 1.500 -7.531 1.00 0.00 C ATOM 400 C LEU A 29 2.831 1.171 -8.882 1.00 0.00 C ATOM 401 O LEU A 29 2.313 0.323 -9.634 1.00 0.00 O ATOM 402 CB LEU A 29 1.945 0.196 -6.710 1.00 0.00 C ATOM 403 CG LEU A 29 1.482 0.386 -5.228 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.275 -0.976 -4.518 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.476 1.275 -4.438 1.00 0.00 C ATOM 0 H LEU A 29 0.081 1.609 -7.562 1.00 0.00 H new ATOM 0 HA LEU A 29 2.839 2.150 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.198 -0.406 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.872 -0.378 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 29 0.520 0.897 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.954 -0.806 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.513 -1.550 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.212 -1.532 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.126 1.388 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.461 0.807 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.541 2.256 -4.909 1.00 0.00 H new ATOM 417 N LYS A 30 3.922 1.887 -9.217 1.00 0.00 N ATOM 418 CA LYS A 30 4.700 1.596 -10.424 1.00 0.00 C ATOM 419 C LYS A 30 5.549 0.348 -10.169 1.00 0.00 C ATOM 420 O LYS A 30 6.572 0.414 -9.467 1.00 0.00 O ATOM 421 CB LYS A 30 5.596 2.777 -10.856 1.00 0.00 C ATOM 422 CG LYS A 30 6.285 2.515 -12.207 1.00 0.00 C ATOM 423 CD LYS A 30 7.181 3.670 -12.669 1.00 0.00 C ATOM 424 CE LYS A 30 7.788 3.374 -14.038 1.00 0.00 C ATOM 425 NZ LYS A 30 8.827 4.368 -14.414 1.00 0.00 N ATOM 0 H LYS A 30 4.279 2.668 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 30 4.003 1.425 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.993 3.682 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.353 2.956 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.885 1.608 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.524 2.330 -12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.599 4.591 -12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.976 3.832 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.227 2.376 -14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.000 3.371 -14.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.449 3.961 -15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.370 5.224 -14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.390 4.615 -13.576 1.00 0.00 H new ATOM 439 N ALA A 31 5.095 -0.777 -10.731 1.00 0.00 N ATOM 440 CA ALA A 31 5.692 -2.096 -10.517 1.00 0.00 C ATOM 441 C ALA A 31 6.814 -2.315 -11.530 1.00 0.00 C ATOM 442 O ALA A 31 6.512 -2.661 -12.660 1.00 0.00 O ATOM 443 CB ALA A 31 4.606 -3.183 -10.642 1.00 0.00 C ATOM 0 H ALA A 31 4.290 -0.795 -11.357 1.00 0.00 H new ATOM 0 HA ALA A 31 6.117 -2.155 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.053 -4.164 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.831 -3.011 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.164 -3.143 -11.638 1.00 0.00 H new ATOM 449 N PRO A 32 8.130 -2.164 -11.141 1.00 0.00 N ATOM 450 CA PRO A 32 9.277 -2.149 -12.105 1.00 0.00 C ATOM 451 C PRO A 32 9.495 -3.516 -12.800 1.00 0.00 C ATOM 452 O PRO A 32 10.280 -3.627 -13.745 1.00 0.00 O ATOM 453 CB PRO A 32 10.484 -1.759 -11.205 1.00 0.00 C ATOM 454 CG PRO A 32 10.110 -2.276 -9.850 1.00 0.00 C ATOM 455 CD PRO A 32 8.614 -2.061 -9.732 1.00 0.00 C ATOM 0 HA PRO A 32 9.115 -1.461 -12.934 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.410 -2.210 -11.562 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.639 -0.680 -11.191 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.364 -3.331 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.646 -1.743 -9.065 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.150 -2.813 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.382 -1.088 -9.299 1.00 0.00 H new ATOM 463 N CYS A 33 8.772 -4.538 -12.299 1.00 0.00 N ATOM 464 CA CYS A 33 8.731 -5.886 -12.873 1.00 0.00 C ATOM 465 C CYS A 33 8.144 -5.874 -14.309 1.00 0.00 C ATOM 466 O CYS A 33 8.586 -6.632 -15.173 1.00 0.00 O ATOM 467 CB CYS A 33 7.899 -6.780 -11.930 1.00 0.00 C ATOM 468 SG CYS A 33 6.291 -6.058 -11.455 1.00 0.00 S ATOM 0 H CYS A 33 8.190 -4.441 -11.467 1.00 0.00 H new ATOM 0 HA CYS A 33 9.743 -6.282 -12.961 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.726 -7.741 -12.415 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.478 -6.978 -11.028 1.00 0.00 H new ATOM 0 HG CYS A 33 5.585 -5.830 -12.523 1.00 0.00 H new ATOM 473 N CYS A 34 7.156 -4.991 -14.557 1.00 0.00 N ATOM 474 CA CYS A 34 6.530 -4.823 -15.895 1.00 0.00 C ATOM 475 C CYS A 34 6.266 -3.330 -16.205 1.00 0.00 C ATOM 476 O CYS A 34 5.692 -3.001 -17.244 1.00 0.00 O ATOM 477 CB CYS A 34 5.226 -5.662 -15.969 1.00 0.00 C ATOM 478 SG CYS A 34 4.079 -5.402 -14.568 1.00 0.00 S ATOM 0 H CYS A 34 6.767 -4.375 -13.843 1.00 0.00 H new ATOM 0 HA CYS A 34 7.219 -5.187 -16.657 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.707 -5.423 -16.897 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.490 -6.718 -16.015 1.00 0.00 H new ATOM 0 HG CYS A 34 3.001 -6.105 -14.753 1.00 0.00 H new ATOM 483 N ASP A 35 6.724 -2.448 -15.286 1.00 0.00 N ATOM 484 CA ASP A 35 6.568 -0.967 -15.337 1.00 0.00 C ATOM 485 C ASP A 35 5.099 -0.510 -15.423 1.00 0.00 C ATOM 486 O ASP A 35 4.819 0.640 -15.783 1.00 0.00 O ATOM 487 CB ASP A 35 7.435 -0.361 -16.477 1.00 0.00 C ATOM 488 CG ASP A 35 8.937 -0.584 -16.238 1.00 0.00 C ATOM 489 OD1 ASP A 35 9.471 -1.638 -16.657 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.576 0.270 -15.583 1.00 0.00 O ATOM 0 H ASP A 35 7.232 -2.755 -14.456 1.00 0.00 H new ATOM 0 HA ASP A 35 6.935 -0.579 -14.387 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.149 -0.810 -17.428 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.235 0.708 -16.556 1.00 0.00 H new ATOM 495 N LYS A 36 4.167 -1.406 -15.041 1.00 0.00 N ATOM 496 CA LYS A 36 2.716 -1.150 -15.125 1.00 0.00 C ATOM 497 C LYS A 36 2.190 -0.548 -13.812 1.00 0.00 C ATOM 498 O LYS A 36 2.745 -0.783 -12.730 1.00 0.00 O ATOM 499 CB LYS A 36 1.958 -2.449 -15.494 1.00 0.00 C ATOM 500 CG LYS A 36 2.328 -3.020 -16.885 1.00 0.00 C ATOM 501 CD LYS A 36 1.434 -4.202 -17.320 1.00 0.00 C ATOM 502 CE LYS A 36 -0.015 -3.789 -17.633 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.842 -4.954 -18.050 1.00 0.00 N ATOM 0 H LYS A 36 4.399 -2.326 -14.666 1.00 0.00 H new ATOM 0 HA LYS A 36 2.538 -0.421 -15.915 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.163 -3.205 -14.736 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.886 -2.252 -15.467 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.254 -2.225 -17.627 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.368 -3.347 -16.871 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.869 -4.671 -18.202 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.427 -4.953 -16.530 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.459 -3.324 -16.753 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.017 -3.040 -18.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.846 -4.683 -18.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.560 -5.256 -19.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.699 -5.738 -17.382 1.00 0.00 H new ATOM 517 N LEU A 37 1.086 0.204 -13.942 1.00 0.00 N ATOM 518 CA LEU A 37 0.570 1.107 -12.899 1.00 0.00 C ATOM 519 C LEU A 37 -0.756 0.565 -12.340 1.00 0.00 C ATOM 520 O LEU A 37 -1.723 0.412 -13.097 1.00 0.00 O ATOM 521 CB LEU A 37 0.354 2.534 -13.494 1.00 0.00 C ATOM 522 CG LEU A 37 1.609 3.291 -14.062 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.775 3.276 -13.059 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.054 2.772 -15.449 1.00 0.00 C ATOM 0 H LEU A 37 0.517 0.202 -14.788 1.00 0.00 H new ATOM 0 HA LEU A 37 1.296 1.164 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.380 2.454 -14.296 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.089 3.157 -12.717 1.00 0.00 H new ATOM 0 HG LEU A 37 1.299 4.326 -14.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.627 3.808 -13.483 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.466 3.764 -12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.060 2.245 -12.847 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.924 3.335 -15.786 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.311 1.715 -15.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.241 2.900 -16.163 1.00 0.00 H new ATOM 536 N TYR A 38 -0.795 0.262 -11.021 1.00 0.00 N ATOM 537 CA TYR A 38 -1.993 -0.303 -10.345 1.00 0.00 C ATOM 538 C TYR A 38 -2.148 0.274 -8.926 1.00 0.00 C ATOM 539 O TYR A 38 -1.183 0.293 -8.164 1.00 0.00 O ATOM 540 CB TYR A 38 -1.897 -1.853 -10.264 1.00 0.00 C ATOM 541 CG TYR A 38 -1.919 -2.576 -11.622 1.00 0.00 C ATOM 542 CD1 TYR A 38 -3.125 -2.845 -12.272 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.737 -3.004 -12.248 1.00 0.00 C ATOM 544 CE1 TYR A 38 -3.152 -3.510 -13.480 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.769 -3.678 -13.452 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.979 -3.929 -14.064 1.00 0.00 C ATOM 547 OH TYR A 38 -2.019 -4.613 -15.260 1.00 0.00 O ATOM 0 H TYR A 38 -0.002 0.401 -10.395 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.866 -0.027 -10.936 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.977 -2.119 -9.742 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.725 -2.222 -9.659 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.053 -2.527 -11.821 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.214 -2.802 -11.779 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.096 -3.702 -13.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.150 -4.008 -13.913 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.338 -5.318 -15.257 1.00 0.00 H new ATOM 557 N THR A 39 -3.379 0.723 -8.582 1.00 0.00 N ATOM 558 CA THR A 39 -3.727 1.248 -7.238 1.00 0.00 C ATOM 559 C THR A 39 -3.404 0.212 -6.130 1.00 0.00 C ATOM 560 O THR A 39 -2.738 0.530 -5.136 1.00 0.00 O ATOM 561 CB THR A 39 -5.247 1.642 -7.181 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.544 2.608 -8.194 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.682 2.207 -5.815 1.00 0.00 C ATOM 0 H THR A 39 -4.164 0.731 -9.233 1.00 0.00 H new ATOM 0 HA THR A 39 -3.122 2.137 -7.060 1.00 0.00 H new ATOM 0 HB THR A 39 -5.804 0.720 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.494 2.846 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.742 2.458 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.509 1.460 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.103 3.103 -5.591 1.00 0.00 H new ATOM 571 N CYS A 40 -3.876 -1.035 -6.324 1.00 0.00 N ATOM 572 CA CYS A 40 -3.607 -2.146 -5.389 1.00 0.00 C ATOM 573 C CYS A 40 -2.504 -3.047 -5.954 1.00 0.00 C ATOM 574 O CYS A 40 -2.428 -3.248 -7.172 1.00 0.00 O ATOM 575 CB CYS A 40 -4.863 -3.005 -5.167 1.00 0.00 C ATOM 576 SG CYS A 40 -6.386 -2.091 -4.884 1.00 0.00 S ATOM 0 H CYS A 40 -4.449 -1.299 -7.125 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.298 -1.709 -4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.001 -3.647 -6.037 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.688 -3.659 -4.313 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.262 -2.417 -5.788 1.00 0.00 H new ATOM 581 N ARG A 41 -1.703 -3.625 -5.050 1.00 0.00 N ATOM 582 CA ARG A 41 -0.710 -4.655 -5.401 1.00 0.00 C ATOM 583 C ARG A 41 -1.412 -5.930 -5.940 1.00 0.00 C ATOM 584 O ARG A 41 -0.905 -6.574 -6.840 1.00 0.00 O ATOM 585 CB ARG A 41 0.177 -4.984 -4.160 1.00 0.00 C ATOM 586 CG ARG A 41 -0.606 -5.564 -2.964 1.00 0.00 C ATOM 587 CD ARG A 41 0.261 -5.863 -1.727 1.00 0.00 C ATOM 588 NE ARG A 41 -0.531 -6.534 -0.684 1.00 0.00 N ATOM 589 CZ ARG A 41 -1.382 -5.929 0.162 1.00 0.00 C ATOM 590 NH1 ARG A 41 -1.445 -4.602 0.244 1.00 0.00 N ATOM 591 NH2 ARG A 41 -2.147 -6.660 0.956 1.00 0.00 N ATOM 0 H ARG A 41 -1.723 -3.394 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.067 -4.271 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.948 -5.696 -4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.688 -4.076 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.390 -4.861 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.099 -6.484 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.104 -6.493 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.675 -4.934 -1.334 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.425 -7.545 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.841 -4.026 -0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.098 -4.162 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.089 -7.678 0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.795 -6.206 1.600 1.00 0.00 H new ATOM 605 N LEU A 42 -2.606 -6.254 -5.388 1.00 0.00 N ATOM 606 CA LEU A 42 -3.386 -7.453 -5.787 1.00 0.00 C ATOM 607 C LEU A 42 -4.197 -7.207 -7.081 1.00 0.00 C ATOM 608 O LEU A 42 -4.500 -8.156 -7.809 1.00 0.00 O ATOM 609 CB LEU A 42 -4.316 -7.970 -4.640 1.00 0.00 C ATOM 610 CG LEU A 42 -5.484 -7.035 -4.144 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.646 -7.861 -3.531 1.00 0.00 C ATOM 612 CD2 LEU A 42 -4.987 -5.994 -3.115 1.00 0.00 C ATOM 0 H LEU A 42 -3.054 -5.698 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.655 -8.236 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.760 -8.909 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.687 -8.200 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.853 -6.503 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.436 -7.187 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.044 -8.543 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.276 -8.434 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.822 -5.369 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.569 -6.509 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.219 -5.369 -3.571 1.00 0.00 H new ATOM 624 N CYS A 43 -4.542 -5.927 -7.365 1.00 0.00 N ATOM 625 CA CYS A 43 -5.185 -5.541 -8.657 1.00 0.00 C ATOM 626 C CYS A 43 -4.178 -5.692 -9.825 1.00 0.00 C ATOM 627 O CYS A 43 -4.575 -5.870 -10.981 1.00 0.00 O ATOM 628 CB CYS A 43 -5.818 -4.112 -8.594 1.00 0.00 C ATOM 629 SG CYS A 43 -7.579 -4.091 -8.053 1.00 0.00 S ATOM 0 H CYS A 43 -4.390 -5.146 -6.726 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.013 -6.225 -8.843 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.232 -3.497 -7.911 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.746 -3.651 -9.579 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.639 -4.243 -6.763 1.00 0.00 H new ATOM 634 N HIS A 44 -2.871 -5.625 -9.492 1.00 0.00 N ATOM 635 CA HIS A 44 -1.779 -6.007 -10.405 1.00 0.00 C ATOM 636 C HIS A 44 -1.833 -7.516 -10.691 1.00 0.00 C ATOM 637 O HIS A 44 -1.956 -7.914 -11.838 1.00 0.00 O ATOM 638 CB HIS A 44 -0.409 -5.589 -9.792 1.00 0.00 C ATOM 639 CG HIS A 44 0.821 -6.237 -10.397 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.224 -7.511 -10.060 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.781 -5.759 -11.254 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.363 -7.768 -10.688 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.755 -6.749 -11.422 1.00 0.00 N ATOM 0 H HIS A 44 -2.546 -5.304 -8.580 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.898 -5.485 -11.355 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.308 -4.508 -9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.427 -5.817 -8.726 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.730 -8.148 -9.434 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.784 -4.784 -11.719 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.903 -8.700 -10.607 1.00 0.00 H new ATOM 651 N ASP A 45 -1.778 -8.331 -9.614 1.00 0.00 N ATOM 652 CA ASP A 45 -1.741 -9.817 -9.681 1.00 0.00 C ATOM 653 C ASP A 45 -2.921 -10.398 -10.481 1.00 0.00 C ATOM 654 O ASP A 45 -2.773 -11.406 -11.172 1.00 0.00 O ATOM 655 CB ASP A 45 -1.738 -10.414 -8.240 1.00 0.00 C ATOM 656 CG ASP A 45 -0.449 -10.142 -7.437 1.00 0.00 C ATOM 657 OD1 ASP A 45 0.145 -9.055 -7.580 1.00 0.00 O ATOM 658 OD2 ASP A 45 -0.025 -11.020 -6.651 1.00 0.00 O ATOM 0 H ASP A 45 -1.758 -7.974 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.825 -10.094 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.586 -10.007 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.889 -11.491 -8.307 1.00 0.00 H new ATOM 663 N ASN A 46 -4.084 -9.739 -10.367 1.00 0.00 N ATOM 664 CA ASN A 46 -5.314 -10.117 -11.097 1.00 0.00 C ATOM 665 C ASN A 46 -5.110 -10.054 -12.631 1.00 0.00 C ATOM 666 O ASN A 46 -5.567 -10.931 -13.369 1.00 0.00 O ATOM 667 CB ASN A 46 -6.479 -9.183 -10.663 1.00 0.00 C ATOM 668 CG ASN A 46 -7.794 -9.439 -11.416 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.613 -10.265 -11.007 1.00 0.00 O ATOM 670 ND2 ASN A 46 -8.005 -8.727 -12.516 1.00 0.00 N ATOM 0 H ASN A 46 -4.203 -8.925 -9.764 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.560 -11.149 -10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.653 -9.308 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.178 -8.147 -10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.865 -8.855 -13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.307 -8.051 -12.828 1.00 0.00 H new ATOM 677 N ASN A 47 -4.401 -9.007 -13.076 1.00 0.00 N ATOM 678 CA ASN A 47 -4.218 -8.684 -14.508 1.00 0.00 C ATOM 679 C ASN A 47 -2.879 -9.210 -15.055 1.00 0.00 C ATOM 680 O ASN A 47 -2.691 -9.280 -16.274 1.00 0.00 O ATOM 681 CB ASN A 47 -4.317 -7.150 -14.688 1.00 0.00 C ATOM 682 CG ASN A 47 -5.710 -6.607 -14.332 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.728 -7.181 -14.713 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.763 -5.548 -13.549 1.00 0.00 N ATOM 0 H ASN A 47 -3.932 -8.352 -12.451 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.003 -9.180 -15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.570 -6.664 -14.061 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.083 -6.892 -15.721 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.666 -5.184 -13.243 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.901 -5.092 -13.249 1.00 0.00 H new ATOM 691 N GLU A 48 -1.954 -9.567 -14.153 1.00 0.00 N ATOM 692 CA GLU A 48 -0.612 -10.075 -14.522 1.00 0.00 C ATOM 693 C GLU A 48 -0.508 -11.597 -14.323 1.00 0.00 C ATOM 694 O GLU A 48 -1.353 -12.217 -13.663 1.00 0.00 O ATOM 695 CB GLU A 48 0.481 -9.357 -13.685 1.00 0.00 C ATOM 696 CG GLU A 48 0.507 -7.825 -13.846 1.00 0.00 C ATOM 697 CD GLU A 48 0.765 -7.351 -15.282 1.00 0.00 C ATOM 698 OE1 GLU A 48 1.940 -7.369 -15.719 1.00 0.00 O ATOM 699 OE2 GLU A 48 -0.196 -6.938 -15.969 1.00 0.00 O ATOM 0 H GLU A 48 -2.108 -9.514 -13.146 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.457 -9.863 -15.580 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.330 -9.596 -12.632 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.456 -9.756 -13.966 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.445 -7.418 -13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.279 -7.415 -13.195 1.00 0.00 H new ATOM 706 N ASP A 49 0.547 -12.178 -14.922 1.00 0.00 N ATOM 707 CA ASP A 49 0.920 -13.601 -14.747 1.00 0.00 C ATOM 708 C ASP A 49 1.670 -13.798 -13.413 1.00 0.00 C ATOM 709 O ASP A 49 1.673 -14.891 -12.840 1.00 0.00 O ATOM 710 CB ASP A 49 1.845 -14.061 -15.914 1.00 0.00 C ATOM 711 CG ASP A 49 1.262 -13.794 -17.312 1.00 0.00 C ATOM 712 OD1 ASP A 49 1.394 -12.653 -17.805 1.00 0.00 O ATOM 713 OD2 ASP A 49 0.683 -14.713 -17.928 1.00 0.00 O ATOM 0 H ASP A 49 1.173 -11.672 -15.548 1.00 0.00 H new ATOM 0 HA ASP A 49 0.006 -14.195 -14.744 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.804 -13.551 -15.827 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.041 -15.128 -15.810 1.00 0.00 H new ATOM 718 N HIS A 50 2.278 -12.708 -12.924 1.00 0.00 N ATOM 719 CA HIS A 50 3.236 -12.728 -11.801 1.00 0.00 C ATOM 720 C HIS A 50 2.764 -11.809 -10.649 1.00 0.00 C ATOM 721 O HIS A 50 1.841 -10.997 -10.826 1.00 0.00 O ATOM 722 CB HIS A 50 4.626 -12.305 -12.338 1.00 0.00 C ATOM 723 CG HIS A 50 4.660 -10.919 -12.932 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.244 -10.613 -14.209 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.023 -9.742 -12.375 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.360 -9.288 -14.373 1.00 0.00 C ATOM 727 NE2 HIS A 50 4.829 -8.707 -13.282 1.00 0.00 N ATOM 0 H HIS A 50 2.118 -11.773 -13.300 1.00 0.00 H new ATOM 0 HA HIS A 50 3.301 -13.734 -11.386 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.350 -12.358 -11.525 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.945 -13.021 -13.095 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.407 -9.623 -11.373 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.103 -8.762 -15.281 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.009 -7.714 -13.137 1.00 0.00 H new ATOM 735 N GLN A 51 3.425 -11.939 -9.481 1.00 0.00 N ATOM 736 CA GLN A 51 3.051 -11.219 -8.238 1.00 0.00 C ATOM 737 C GLN A 51 3.811 -9.882 -8.081 1.00 0.00 C ATOM 738 O GLN A 51 4.949 -9.737 -8.555 1.00 0.00 O ATOM 739 CB GLN A 51 3.274 -12.103 -6.977 1.00 0.00 C ATOM 740 CG GLN A 51 4.737 -12.462 -6.648 1.00 0.00 C ATOM 741 CD GLN A 51 4.890 -13.156 -5.286 1.00 0.00 C ATOM 742 OE1 GLN A 51 4.828 -14.384 -5.184 1.00 0.00 O ATOM 743 NE2 GLN A 51 5.084 -12.373 -4.230 1.00 0.00 N ATOM 0 H GLN A 51 4.236 -12.547 -9.369 1.00 0.00 H new ATOM 0 HA GLN A 51 1.988 -10.993 -8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.846 -11.588 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.714 -13.029 -7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.130 -13.113 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.340 -11.554 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.131 -11.361 -4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.186 -12.784 -3.302 1.00 0.00 H new ATOM 752 N LEU A 52 3.140 -8.894 -7.459 1.00 0.00 N ATOM 753 CA LEU A 52 3.754 -7.608 -7.083 1.00 0.00 C ATOM 754 C LEU A 52 4.183 -7.693 -5.613 1.00 0.00 C ATOM 755 O LEU A 52 3.340 -7.599 -4.707 1.00 0.00 O ATOM 756 CB LEU A 52 2.751 -6.413 -7.307 1.00 0.00 C ATOM 757 CG LEU A 52 3.338 -4.944 -7.356 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.311 -3.935 -7.921 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.835 -4.447 -5.984 1.00 0.00 C ATOM 0 H LEU A 52 2.155 -8.966 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 52 4.623 -7.417 -7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.223 -6.592 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.008 -6.448 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 52 4.196 -5.000 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.752 -2.938 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.034 -4.227 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.423 -3.928 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.226 -3.434 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.007 -4.449 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.624 -5.106 -5.622 1.00 0.00 H new ATOM 771 N ASP A 53 5.485 -7.920 -5.383 1.00 0.00 N ATOM 772 CA ASP A 53 6.095 -7.691 -4.068 1.00 0.00 C ATOM 773 C ASP A 53 6.168 -6.173 -3.825 1.00 0.00 C ATOM 774 O ASP A 53 6.919 -5.458 -4.485 1.00 0.00 O ATOM 775 CB ASP A 53 7.498 -8.342 -3.957 1.00 0.00 C ATOM 776 CG ASP A 53 7.455 -9.878 -3.933 1.00 0.00 C ATOM 777 OD1 ASP A 53 7.370 -10.494 -5.011 1.00 0.00 O ATOM 778 OD2 ASP A 53 7.500 -10.473 -2.834 1.00 0.00 O ATOM 0 H ASP A 53 6.134 -8.262 -6.092 1.00 0.00 H new ATOM 0 HA ASP A 53 5.479 -8.162 -3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.110 -8.016 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.986 -7.985 -3.050 1.00 0.00 H new ATOM 783 N ARG A 54 5.294 -5.708 -2.928 1.00 0.00 N ATOM 784 CA ARG A 54 5.155 -4.295 -2.490 1.00 0.00 C ATOM 785 C ARG A 54 6.474 -3.608 -2.039 1.00 0.00 C ATOM 786 O ARG A 54 6.489 -2.394 -1.831 1.00 0.00 O ATOM 787 CB ARG A 54 4.087 -4.191 -1.354 1.00 0.00 C ATOM 788 CG ARG A 54 4.384 -4.993 -0.043 1.00 0.00 C ATOM 789 CD ARG A 54 4.090 -6.501 -0.175 1.00 0.00 C ATOM 790 NE ARG A 54 4.389 -7.270 1.045 1.00 0.00 N ATOM 791 CZ ARG A 54 4.360 -8.618 1.134 1.00 0.00 C ATOM 792 NH1 ARG A 54 4.055 -9.367 0.078 1.00 0.00 N ATOM 793 NH2 ARG A 54 4.652 -9.214 2.277 1.00 0.00 N ATOM 0 H ARG A 54 4.630 -6.324 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 54 4.836 -3.751 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.969 -3.140 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.131 -4.530 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.430 -4.856 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.786 -4.582 0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.039 -6.637 -0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.674 -6.905 -1.001 1.00 0.00 H new ATOM 0 HE ARG A 54 4.636 -6.746 1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.839 -8.925 -0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.037 -10.383 0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.900 -8.656 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.629 -10.232 2.342 1.00 0.00 H new ATOM 807 N PHE A 55 7.563 -4.376 -1.874 1.00 0.00 N ATOM 808 CA PHE A 55 8.883 -3.837 -1.481 1.00 0.00 C ATOM 809 C PHE A 55 9.707 -3.386 -2.711 1.00 0.00 C ATOM 810 O PHE A 55 10.620 -2.563 -2.583 1.00 0.00 O ATOM 811 CB PHE A 55 9.656 -4.907 -0.671 1.00 0.00 C ATOM 812 CG PHE A 55 8.875 -5.436 0.532 1.00 0.00 C ATOM 813 CD1 PHE A 55 8.616 -4.616 1.628 1.00 0.00 C ATOM 814 CD2 PHE A 55 8.397 -6.746 0.565 1.00 0.00 C ATOM 815 CE1 PHE A 55 7.898 -5.081 2.713 1.00 0.00 C ATOM 816 CE2 PHE A 55 7.686 -7.212 1.651 1.00 0.00 C ATOM 817 CZ PHE A 55 7.439 -6.382 2.726 1.00 0.00 C ATOM 0 H PHE A 55 7.557 -5.387 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 55 8.723 -2.955 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.906 -5.740 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.598 -4.481 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.982 -3.600 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.586 -7.404 -0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.697 -4.428 3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.322 -8.229 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.886 -6.751 3.577 1.00 0.00 H new ATOM 827 N LYS A 56 9.365 -3.936 -3.894 1.00 0.00 N ATOM 828 CA LYS A 56 10.130 -3.740 -5.148 1.00 0.00 C ATOM 829 C LYS A 56 9.800 -2.402 -5.831 1.00 0.00 C ATOM 830 O LYS A 56 10.658 -1.836 -6.524 1.00 0.00 O ATOM 831 CB LYS A 56 9.860 -4.906 -6.138 1.00 0.00 C ATOM 832 CG LYS A 56 10.098 -6.318 -5.552 1.00 0.00 C ATOM 833 CD LYS A 56 11.545 -6.560 -5.049 1.00 0.00 C ATOM 834 CE LYS A 56 12.593 -6.517 -6.174 1.00 0.00 C ATOM 835 NZ LYS A 56 12.334 -7.529 -7.228 1.00 0.00 N ATOM 0 H LYS A 56 8.546 -4.533 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 56 11.185 -3.725 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.828 -4.840 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.498 -4.778 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.406 -6.478 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.861 -7.060 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.793 -5.807 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.593 -7.530 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.600 -5.523 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.584 -6.683 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.143 -7.565 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.202 -8.462 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.476 -7.270 -7.755 1.00 0.00 H new ATOM 849 N VAL A 57 8.544 -1.924 -5.669 1.00 0.00 N ATOM 850 CA VAL A 57 8.096 -0.645 -6.268 1.00 0.00 C ATOM 851 C VAL A 57 8.922 0.531 -5.703 1.00 0.00 C ATOM 852 O VAL A 57 9.303 0.523 -4.528 1.00 0.00 O ATOM 853 CB VAL A 57 6.547 -0.390 -6.074 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.707 -1.416 -6.856 1.00 0.00 C ATOM 855 CG2 VAL A 57 6.146 -0.389 -4.592 1.00 0.00 C ATOM 0 H VAL A 57 7.824 -2.404 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 57 8.267 -0.717 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 57 6.340 0.602 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.647 -1.212 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.939 -1.342 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.939 -2.421 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.074 -0.210 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.390 -1.354 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.689 0.398 -4.069 1.00 0.00 H new ATOM 865 N LYS A 58 9.232 1.509 -6.565 1.00 0.00 N ATOM 866 CA LYS A 58 10.116 2.642 -6.213 1.00 0.00 C ATOM 867 C LYS A 58 9.438 3.974 -6.545 1.00 0.00 C ATOM 868 O LYS A 58 9.619 4.974 -5.841 1.00 0.00 O ATOM 869 CB LYS A 58 11.464 2.513 -6.980 1.00 0.00 C ATOM 870 CG LYS A 58 12.556 3.537 -6.569 1.00 0.00 C ATOM 871 CD LYS A 58 13.006 3.375 -5.091 1.00 0.00 C ATOM 872 CE LYS A 58 13.631 1.997 -4.811 1.00 0.00 C ATOM 873 NZ LYS A 58 14.862 1.760 -5.606 1.00 0.00 N ATOM 0 H LYS A 58 8.882 1.543 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 58 10.313 2.618 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.856 1.507 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.269 2.622 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.421 3.421 -7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.176 4.547 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.729 4.154 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.147 3.521 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.867 1.917 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.902 1.218 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.291 0.857 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.621 1.725 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.538 2.533 -5.438 1.00 0.00 H new ATOM 887 N GLU A 59 8.673 3.976 -7.643 1.00 0.00 N ATOM 888 CA GLU A 59 7.930 5.154 -8.117 1.00 0.00 C ATOM 889 C GLU A 59 6.429 4.922 -7.994 1.00 0.00 C ATOM 890 O GLU A 59 5.967 3.792 -7.757 1.00 0.00 O ATOM 891 CB GLU A 59 8.320 5.470 -9.584 1.00 0.00 C ATOM 892 CG GLU A 59 9.750 6.015 -9.732 1.00 0.00 C ATOM 893 CD GLU A 59 10.243 6.087 -11.190 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.413 5.017 -11.818 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.505 7.198 -11.697 1.00 0.00 O ATOM 0 H GLU A 59 8.550 3.154 -8.234 1.00 0.00 H new ATOM 0 HA GLU A 59 8.191 6.011 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.221 4.564 -10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.618 6.198 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.795 7.012 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.430 5.384 -9.160 1.00 0.00 H new ATOM 902 N VAL A 60 5.684 6.016 -8.157 1.00 0.00 N ATOM 903 CA VAL A 60 4.211 6.041 -8.088 1.00 0.00 C ATOM 904 C VAL A 60 3.645 7.096 -9.067 1.00 0.00 C ATOM 905 O VAL A 60 4.348 8.038 -9.467 1.00 0.00 O ATOM 906 CB VAL A 60 3.662 6.326 -6.620 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.834 5.108 -5.672 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.315 7.598 -6.007 1.00 0.00 C ATOM 0 H VAL A 60 6.091 6.932 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 60 3.871 5.045 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 60 2.591 6.504 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.443 5.357 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.288 4.254 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.892 4.857 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.918 7.764 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.395 7.462 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.090 8.461 -6.634 1.00 0.00 H new ATOM 918 N GLN A 61 2.370 6.911 -9.448 1.00 0.00 N ATOM 919 CA GLN A 61 1.605 7.861 -10.283 1.00 0.00 C ATOM 920 C GLN A 61 0.595 8.607 -9.421 1.00 0.00 C ATOM 921 O GLN A 61 -0.351 7.996 -8.937 1.00 0.00 O ATOM 922 CB GLN A 61 0.822 7.110 -11.398 1.00 0.00 C ATOM 923 CG GLN A 61 1.649 6.655 -12.614 1.00 0.00 C ATOM 924 CD GLN A 61 1.470 7.524 -13.872 1.00 0.00 C ATOM 925 OE1 GLN A 61 1.614 7.037 -14.992 1.00 0.00 O ATOM 926 NE2 GLN A 61 1.153 8.808 -13.707 1.00 0.00 N ATOM 0 H GLN A 61 1.831 6.087 -9.182 1.00 0.00 H new ATOM 0 HA GLN A 61 2.314 8.555 -10.735 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.351 6.232 -10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.020 7.758 -11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.704 6.651 -12.339 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.379 5.627 -12.857 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.039 9.189 -12.768 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.024 9.410 -14.520 1.00 0.00 H new ATOM 935 N CYS A 62 0.777 9.915 -9.257 1.00 0.00 N ATOM 936 CA CYS A 62 -0.238 10.780 -8.624 1.00 0.00 C ATOM 937 C CYS A 62 -1.489 10.788 -9.496 1.00 0.00 C ATOM 938 O CYS A 62 -1.462 11.382 -10.558 1.00 0.00 O ATOM 939 CB CYS A 62 0.301 12.208 -8.499 1.00 0.00 C ATOM 940 SG CYS A 62 -0.902 13.472 -7.970 1.00 0.00 S ATOM 0 H CYS A 62 1.619 10.409 -9.552 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.475 10.400 -7.630 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.128 12.202 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.711 12.506 -9.464 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.268 14.534 -7.571 1.00 0.00 H new ATOM 945 N ILE A 63 -2.587 10.146 -9.052 1.00 0.00 N ATOM 946 CA ILE A 63 -3.825 10.036 -9.873 1.00 0.00 C ATOM 947 C ILE A 63 -4.670 11.354 -9.799 1.00 0.00 C ATOM 948 O ILE A 63 -5.857 11.377 -10.141 1.00 0.00 O ATOM 949 CB ILE A 63 -4.715 8.786 -9.469 1.00 0.00 C ATOM 950 CG1 ILE A 63 -3.875 7.631 -8.823 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.475 8.248 -10.716 1.00 0.00 C ATOM 952 CD1 ILE A 63 -4.707 6.531 -8.166 1.00 0.00 C ATOM 0 H ILE A 63 -2.650 9.697 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.501 9.883 -10.902 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.425 9.130 -8.717 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.246 7.183 -9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.207 8.059 -8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.083 7.390 -10.429 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.118 9.032 -11.116 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.756 7.945 -11.477 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.044 5.775 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.316 6.961 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.356 6.071 -8.912 1.00 0.00 H new ATOM 964 N ASN A 64 -4.026 12.452 -9.350 1.00 0.00 N ATOM 965 CA ASN A 64 -4.627 13.798 -9.287 1.00 0.00 C ATOM 966 C ASN A 64 -4.014 14.727 -10.373 1.00 0.00 C ATOM 967 O ASN A 64 -4.569 15.787 -10.659 1.00 0.00 O ATOM 968 CB ASN A 64 -4.420 14.384 -7.858 1.00 0.00 C ATOM 969 CG ASN A 64 -5.259 15.639 -7.569 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.402 15.544 -7.123 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.707 16.818 -7.824 1.00 0.00 N ATOM 0 H ASN A 64 -3.062 12.427 -9.017 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.696 13.728 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.666 13.618 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.366 14.626 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.232 17.675 -7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.758 16.867 -8.193 1.00 0.00 H new ATOM 978 N CYS A 65 -2.857 14.329 -10.975 1.00 0.00 N ATOM 979 CA CYS A 65 -2.224 15.112 -12.083 1.00 0.00 C ATOM 980 C CYS A 65 -1.349 14.232 -13.014 1.00 0.00 C ATOM 981 O CYS A 65 -0.690 14.758 -13.916 1.00 0.00 O ATOM 982 CB CYS A 65 -1.404 16.324 -11.540 1.00 0.00 C ATOM 983 SG CYS A 65 0.129 15.921 -10.625 1.00 0.00 S ATOM 0 H CYS A 65 -2.348 13.483 -10.718 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.046 15.499 -12.685 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.141 16.964 -12.382 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.050 16.908 -10.885 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.137 15.056 -9.691 1.00 0.00 H new ATOM 988 N GLU A 66 -1.371 12.895 -12.787 1.00 0.00 N ATOM 989 CA GLU A 66 -0.662 11.873 -13.611 1.00 0.00 C ATOM 990 C GLU A 66 0.862 12.110 -13.686 1.00 0.00 C ATOM 991 O GLU A 66 1.525 11.669 -14.630 1.00 0.00 O ATOM 992 CB GLU A 66 -1.325 11.746 -15.023 1.00 0.00 C ATOM 993 CG GLU A 66 -2.676 10.986 -15.041 1.00 0.00 C ATOM 994 CD GLU A 66 -3.753 11.601 -14.128 1.00 0.00 C ATOM 995 OE1 GLU A 66 -4.364 12.613 -14.515 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.986 11.087 -13.017 1.00 0.00 O ATOM 0 H GLU A 66 -1.891 12.485 -12.012 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.774 10.913 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.482 12.746 -15.427 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.629 11.238 -15.691 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.053 10.960 -16.063 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.504 9.953 -14.738 1.00 0.00 H new ATOM 1003 N LYS A 67 1.405 12.761 -12.646 1.00 0.00 N ATOM 1004 CA LYS A 67 2.851 12.992 -12.501 1.00 0.00 C ATOM 1005 C LYS A 67 3.513 11.763 -11.861 1.00 0.00 C ATOM 1006 O LYS A 67 2.956 11.166 -10.924 1.00 0.00 O ATOM 1007 CB LYS A 67 3.111 14.246 -11.621 1.00 0.00 C ATOM 1008 CG LYS A 67 4.604 14.660 -11.481 1.00 0.00 C ATOM 1009 CD LYS A 67 5.245 15.068 -12.831 1.00 0.00 C ATOM 1010 CE LYS A 67 6.695 15.573 -12.687 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.614 14.536 -12.144 1.00 0.00 N ATOM 0 H LYS A 67 0.852 13.143 -11.879 1.00 0.00 H new ATOM 0 HA LYS A 67 3.280 13.160 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.556 15.085 -12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.707 14.061 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.681 15.492 -10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.167 13.831 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.230 14.212 -13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.639 15.848 -13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.059 15.901 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.709 16.444 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.031 14.874 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.083 13.660 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.371 14.349 -12.832 1.00 0.00 H new ATOM 1025 N ILE A 68 4.694 11.400 -12.378 1.00 0.00 N ATOM 1026 CA ILE A 68 5.564 10.395 -11.767 1.00 0.00 C ATOM 1027 C ILE A 68 6.434 11.075 -10.694 1.00 0.00 C ATOM 1028 O ILE A 68 7.080 12.097 -10.950 1.00 0.00 O ATOM 1029 CB ILE A 68 6.476 9.666 -12.837 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.639 8.678 -13.718 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.672 8.927 -12.176 1.00 0.00 C ATOM 1032 CD1 ILE A 68 5.101 7.461 -12.970 1.00 0.00 C ATOM 0 H ILE A 68 5.072 11.800 -13.237 1.00 0.00 H new ATOM 0 HA ILE A 68 4.937 9.628 -11.312 1.00 0.00 H new ATOM 0 HB ILE A 68 6.885 10.442 -13.484 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.800 9.221 -14.153 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.260 8.335 -14.546 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.271 8.441 -12.947 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.289 9.645 -11.636 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.296 8.176 -11.481 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.535 6.833 -13.657 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.933 6.890 -12.558 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.451 7.790 -12.160 1.00 0.00 H new ATOM 1044 N GLN A 69 6.396 10.503 -9.495 1.00 0.00 N ATOM 1045 CA GLN A 69 7.279 10.851 -8.382 1.00 0.00 C ATOM 1046 C GLN A 69 7.601 9.569 -7.619 1.00 0.00 C ATOM 1047 O GLN A 69 6.892 8.571 -7.767 1.00 0.00 O ATOM 1048 CB GLN A 69 6.651 11.926 -7.440 1.00 0.00 C ATOM 1049 CG GLN A 69 5.331 11.556 -6.714 1.00 0.00 C ATOM 1050 CD GLN A 69 4.098 11.568 -7.625 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.763 10.426 -8.194 1.00 0.00 O flip ATOM 1052 NE2 GLN A 69 3.436 12.598 -7.789 1.00 0.00 N flip ATOM 0 H GLN A 69 5.733 9.764 -9.262 1.00 0.00 H new ATOM 0 HA GLN A 69 8.192 11.298 -8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.391 12.184 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.471 12.826 -8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.436 10.565 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.171 12.255 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.722 13.466 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.604 12.581 -8.379 1.00 0.00 H new ATOM 1061 N HIS A 70 8.671 9.587 -6.820 1.00 0.00 N ATOM 1062 CA HIS A 70 9.073 8.419 -6.013 1.00 0.00 C ATOM 1063 C HIS A 70 8.091 8.200 -4.849 1.00 0.00 C ATOM 1064 O HIS A 70 7.387 9.131 -4.424 1.00 0.00 O ATOM 1065 CB HIS A 70 10.530 8.574 -5.518 1.00 0.00 C ATOM 1066 CG HIS A 70 11.526 8.559 -6.647 1.00 0.00 C ATOM 1067 ND1 HIS A 70 12.100 9.698 -7.165 1.00 0.00 N ATOM 1068 CD2 HIS A 70 12.016 7.532 -7.383 1.00 0.00 C ATOM 1069 CE1 HIS A 70 12.885 9.374 -8.172 1.00 0.00 C ATOM 1070 NE2 HIS A 70 12.855 8.069 -8.323 1.00 0.00 N ATOM 0 H HIS A 70 9.280 10.398 -6.711 1.00 0.00 H new ATOM 0 HA HIS A 70 9.036 7.529 -6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.625 9.509 -4.966 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.762 7.768 -4.822 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.787 6.485 -7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.457 10.065 -8.773 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.373 7.542 -9.026 1.00 0.00 H new ATOM 1079 N ALA A 71 8.059 6.958 -4.352 1.00 0.00 N ATOM 1080 CA ALA A 71 7.037 6.485 -3.417 1.00 0.00 C ATOM 1081 C ALA A 71 7.167 7.153 -2.029 1.00 0.00 C ATOM 1082 O ALA A 71 7.998 6.756 -1.202 1.00 0.00 O ATOM 1083 CB ALA A 71 7.102 4.953 -3.328 1.00 0.00 C ATOM 0 H ALA A 71 8.750 6.247 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 71 6.056 6.773 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.342 4.596 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.922 4.523 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.088 4.651 -2.975 1.00 0.00 H new ATOM 1089 N GLN A 72 6.340 8.188 -1.814 1.00 0.00 N ATOM 1090 CA GLN A 72 6.201 8.899 -0.527 1.00 0.00 C ATOM 1091 C GLN A 72 4.718 9.278 -0.317 1.00 0.00 C ATOM 1092 O GLN A 72 3.849 8.722 -0.990 1.00 0.00 O ATOM 1093 CB GLN A 72 7.131 10.142 -0.480 1.00 0.00 C ATOM 1094 CG GLN A 72 6.855 11.220 -1.553 1.00 0.00 C ATOM 1095 CD GLN A 72 7.793 12.428 -1.439 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.929 12.309 -0.983 1.00 0.00 O ATOM 1097 NE2 GLN A 72 7.343 13.588 -1.877 1.00 0.00 N ATOM 0 H GLN A 72 5.735 8.564 -2.544 1.00 0.00 H new ATOM 0 HA GLN A 72 6.510 8.246 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.043 10.603 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.163 9.806 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.961 10.776 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.823 11.558 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.397 13.660 -2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.941 14.413 -1.842 1.00 0.00 H new ATOM 1106 N GLN A 73 4.426 10.194 0.631 1.00 0.00 N ATOM 1107 CA GLN A 73 3.034 10.559 0.984 1.00 0.00 C ATOM 1108 C GLN A 73 2.545 11.828 0.246 1.00 0.00 C ATOM 1109 O GLN A 73 1.338 12.080 0.191 1.00 0.00 O ATOM 1110 CB GLN A 73 2.913 10.750 2.523 1.00 0.00 C ATOM 1111 CG GLN A 73 1.465 10.770 3.064 1.00 0.00 C ATOM 1112 CD GLN A 73 1.372 10.947 4.586 1.00 0.00 C ATOM 1113 OE1 GLN A 73 2.219 11.592 5.211 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.352 10.362 5.192 1.00 0.00 N ATOM 0 H GLN A 73 5.135 10.695 1.167 1.00 0.00 H new ATOM 0 HA GLN A 73 2.392 9.739 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.459 9.947 3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.401 11.685 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.918 11.579 2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.971 9.839 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.331 9.836 4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.249 10.437 6.204 1.00 0.00 H new ATOM 1123 N THR A 74 3.465 12.631 -0.327 1.00 0.00 N ATOM 1124 CA THR A 74 3.105 13.936 -0.948 1.00 0.00 C ATOM 1125 C THR A 74 3.534 13.997 -2.428 1.00 0.00 C ATOM 1126 O THR A 74 4.478 13.316 -2.840 1.00 0.00 O ATOM 1127 CB THR A 74 3.748 15.136 -0.164 1.00 0.00 C ATOM 1128 OG1 THR A 74 3.871 14.800 1.226 1.00 0.00 O ATOM 1129 CG2 THR A 74 2.908 16.421 -0.284 1.00 0.00 C ATOM 0 H THR A 74 4.459 12.406 -0.376 1.00 0.00 H new ATOM 0 HA THR A 74 2.020 14.021 -0.897 1.00 0.00 H new ATOM 0 HB THR A 74 4.728 15.320 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.274 15.551 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.390 17.224 0.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.826 16.706 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.912 16.244 0.123 1.00 0.00 H new ATOM 1137 N CYS A 75 2.801 14.802 -3.218 1.00 0.00 N ATOM 1138 CA CYS A 75 3.108 15.057 -4.640 1.00 0.00 C ATOM 1139 C CYS A 75 3.918 16.339 -4.794 1.00 0.00 C ATOM 1140 O CYS A 75 3.536 17.382 -4.274 1.00 0.00 O ATOM 1141 CB CYS A 75 1.802 15.188 -5.440 1.00 0.00 C ATOM 1142 SG CYS A 75 1.971 15.651 -7.201 1.00 0.00 S ATOM 0 H CYS A 75 1.973 15.298 -2.887 1.00 0.00 H new ATOM 0 HA CYS A 75 3.693 14.219 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.271 14.237 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 75 1.174 15.932 -4.950 1.00 0.00 H new ATOM 0 HG CYS A 75 0.894 16.263 -7.594 1.00 0.00 H new ATOM 1147 N GLU A 76 5.032 16.245 -5.518 1.00 0.00 N ATOM 1148 CA GLU A 76 5.868 17.400 -5.900 1.00 0.00 C ATOM 1149 C GLU A 76 5.100 18.409 -6.787 1.00 0.00 C ATOM 1150 O GLU A 76 5.356 19.616 -6.738 1.00 0.00 O ATOM 1151 CB GLU A 76 7.120 16.878 -6.653 1.00 0.00 C ATOM 1152 CG GLU A 76 6.799 15.942 -7.842 1.00 0.00 C ATOM 1153 CD GLU A 76 8.052 15.376 -8.521 1.00 0.00 C ATOM 1154 OE1 GLU A 76 8.738 14.539 -7.900 1.00 0.00 O ATOM 1155 OE2 GLU A 76 8.349 15.750 -9.676 1.00 0.00 O ATOM 0 H GLU A 76 5.391 15.355 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 76 6.158 17.930 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.691 17.731 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.759 16.346 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.181 15.117 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.211 16.489 -8.578 1.00 0.00 H new ATOM 1162 N GLU A 77 4.146 17.888 -7.578 1.00 0.00 N ATOM 1163 CA GLU A 77 3.481 18.645 -8.654 1.00 0.00 C ATOM 1164 C GLU A 77 2.210 19.384 -8.179 1.00 0.00 C ATOM 1165 O GLU A 77 1.844 20.406 -8.764 1.00 0.00 O ATOM 1166 CB GLU A 77 3.145 17.686 -9.827 1.00 0.00 C ATOM 1167 CG GLU A 77 2.790 18.384 -11.157 1.00 0.00 C ATOM 1168 CD GLU A 77 3.936 19.264 -11.696 1.00 0.00 C ATOM 1169 OE1 GLU A 77 4.939 18.704 -12.184 1.00 0.00 O ATOM 1170 OE2 GLU A 77 3.850 20.510 -11.611 1.00 0.00 O ATOM 0 H GLU A 77 3.813 16.928 -7.489 1.00 0.00 H new ATOM 0 HA GLU A 77 4.176 19.416 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.998 17.029 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.308 17.053 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.537 17.629 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.902 19.000 -11.013 1.00 0.00 H new ATOM 1177 N CYS A 78 1.530 18.872 -7.120 1.00 0.00 N ATOM 1178 CA CYS A 78 0.265 19.494 -6.639 1.00 0.00 C ATOM 1179 C CYS A 78 0.019 19.263 -5.129 1.00 0.00 C ATOM 1180 O CYS A 78 -1.113 19.418 -4.658 1.00 0.00 O ATOM 1181 CB CYS A 78 -0.948 19.030 -7.511 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.451 17.273 -7.372 1.00 0.00 S ATOM 0 H CYS A 78 1.826 18.050 -6.593 1.00 0.00 H new ATOM 0 HA CYS A 78 0.371 20.572 -6.758 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.807 19.649 -7.253 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.711 19.233 -8.555 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.494 17.180 -6.601 1.00 0.00 H new ATOM 1187 N SER A 79 1.104 18.916 -4.374 1.00 0.00 N ATOM 1188 CA SER A 79 1.097 18.799 -2.881 1.00 0.00 C ATOM 1189 C SER A 79 0.014 17.832 -2.336 1.00 0.00 C ATOM 1190 O SER A 79 -0.366 17.901 -1.160 1.00 0.00 O ATOM 1191 CB SER A 79 0.973 20.209 -2.250 1.00 0.00 C ATOM 1192 OG SER A 79 2.008 21.070 -2.717 1.00 0.00 O ATOM 0 H SER A 79 2.014 18.708 -4.786 1.00 0.00 H new ATOM 0 HA SER A 79 2.047 18.352 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.001 20.637 -2.495 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.022 20.131 -1.164 1.00 0.00 H new ATOM 0 HG SER A 79 1.908 21.954 -2.307 1.00 0.00 H new ATOM 1198 N THR A 80 -0.426 16.898 -3.200 1.00 0.00 N ATOM 1199 CA THR A 80 -1.508 15.951 -2.894 1.00 0.00 C ATOM 1200 C THR A 80 -1.067 14.906 -1.863 1.00 0.00 C ATOM 1201 O THR A 80 -0.059 14.210 -2.058 1.00 0.00 O ATOM 1202 CB THR A 80 -2.011 15.231 -4.190 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.479 16.215 -5.112 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.139 14.208 -3.922 1.00 0.00 C ATOM 0 H THR A 80 -0.036 16.781 -4.135 1.00 0.00 H new ATOM 0 HA THR A 80 -2.327 16.531 -2.470 1.00 0.00 H new ATOM 0 HB THR A 80 -1.168 14.673 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.756 16.455 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.441 13.745 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.778 13.439 -3.239 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.994 14.717 -3.477 1.00 0.00 H new ATOM 1212 N LEU A 81 -1.835 14.838 -0.770 1.00 0.00 N ATOM 1213 CA LEU A 81 -1.747 13.784 0.224 1.00 0.00 C ATOM 1214 C LEU A 81 -2.300 12.481 -0.395 1.00 0.00 C ATOM 1215 O LEU A 81 -3.509 12.369 -0.629 1.00 0.00 O ATOM 1216 CB LEU A 81 -2.574 14.186 1.477 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.437 13.257 2.722 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.054 13.422 3.386 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.580 13.491 3.734 1.00 0.00 C ATOM 0 H LEU A 81 -2.549 15.534 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.712 13.630 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.284 15.195 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.626 14.226 1.194 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.519 12.227 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.985 12.763 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.274 13.164 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.925 14.456 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.451 12.826 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.559 14.527 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.537 13.286 3.255 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.406 11.530 -0.700 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.774 10.240 -1.331 1.00 0.00 C ATOM 1233 C PHE A 82 -2.591 9.354 -0.378 1.00 0.00 C ATOM 1234 O PHE A 82 -3.257 8.415 -0.818 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.509 9.485 -1.811 1.00 0.00 C ATOM 1236 CG PHE A 82 0.349 10.254 -2.816 1.00 0.00 C ATOM 1237 CD1 PHE A 82 -0.230 11.090 -3.774 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.735 10.132 -2.806 1.00 0.00 C ATOM 1239 CE1 PHE A 82 0.553 11.768 -4.683 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.517 10.808 -3.716 1.00 0.00 C ATOM 1241 CZ PHE A 82 1.926 11.627 -4.653 1.00 0.00 C ATOM 0 H PHE A 82 -0.407 11.626 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.399 10.467 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.103 9.240 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.815 8.541 -2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.303 11.206 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.206 9.496 -2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.092 12.410 -5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.591 10.696 -3.695 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.538 12.160 -5.366 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.508 9.661 0.921 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.277 8.967 1.933 1.00 0.00 C ATOM 1253 C GLY A 83 -3.045 9.537 3.313 1.00 0.00 C ATOM 1254 O GLY A 83 -1.994 10.127 3.567 1.00 0.00 O ATOM 0 H GLY A 83 -1.905 10.397 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.337 9.030 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.011 7.910 1.928 1.00 0.00 H new ATOM 1258 N GLU A 84 -4.037 9.356 4.199 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.954 9.756 5.619 1.00 0.00 C ATOM 1260 C GLU A 84 -2.792 9.023 6.312 1.00 0.00 C ATOM 1261 O GLU A 84 -1.974 9.625 7.018 1.00 0.00 O ATOM 1262 CB GLU A 84 -5.288 9.412 6.328 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.535 10.090 5.726 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.550 11.613 5.921 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.661 12.060 7.083 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.476 12.360 4.929 1.00 0.00 O ATOM 0 H GLU A 84 -4.928 8.925 3.951 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.775 10.830 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.430 8.332 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.209 9.696 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.583 9.866 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.428 9.663 6.182 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.756 7.710 6.085 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.702 6.826 6.571 1.00 0.00 C ATOM 1275 C TYR A 85 -0.549 6.749 5.537 1.00 0.00 C ATOM 1276 O TYR A 85 -0.770 6.835 4.320 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.294 5.424 6.866 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.265 4.416 7.391 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.614 4.629 8.607 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -0.915 3.278 6.658 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.332 3.743 9.071 1.00 0.00 C ATOM 1282 CE2 TYR A 85 0.033 2.396 7.124 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.649 2.631 8.327 1.00 0.00 C ATOM 1284 OH TYR A 85 1.602 1.760 8.781 1.00 0.00 O ATOM 0 H TYR A 85 -3.474 7.224 5.547 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.289 7.224 7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.096 5.525 7.597 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.742 5.030 5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.856 5.503 9.193 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.397 3.088 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.823 3.921 10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.291 1.522 6.545 1.00 0.00 H new ATOM 0 HH TYR A 85 1.670 1.000 8.166 1.00 0.00 H new ATOM 1294 N TYR A 86 0.673 6.591 6.061 1.00 0.00 N ATOM 1295 CA TYR A 86 1.915 6.462 5.286 1.00 0.00 C ATOM 1296 C TYR A 86 2.720 5.282 5.833 1.00 0.00 C ATOM 1297 O TYR A 86 2.760 5.069 7.052 1.00 0.00 O ATOM 1298 CB TYR A 86 2.742 7.772 5.403 1.00 0.00 C ATOM 1299 CG TYR A 86 4.214 7.707 4.923 1.00 0.00 C ATOM 1300 CD1 TYR A 86 4.546 7.737 3.568 1.00 0.00 C ATOM 1301 CD2 TYR A 86 5.274 7.639 5.841 1.00 0.00 C ATOM 1302 CE1 TYR A 86 5.865 7.711 3.150 1.00 0.00 C ATOM 1303 CE2 TYR A 86 6.587 7.605 5.425 1.00 0.00 C ATOM 1304 CZ TYR A 86 6.880 7.646 4.083 1.00 0.00 C ATOM 1305 OH TYR A 86 8.193 7.638 3.669 1.00 0.00 O ATOM 0 H TYR A 86 0.830 6.548 7.068 1.00 0.00 H new ATOM 0 HA TYR A 86 1.681 6.288 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.232 8.549 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.737 8.086 6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.758 7.781 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.055 7.613 6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.100 7.741 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.384 7.546 6.152 1.00 0.00 H new ATOM 0 HH TYR A 86 8.782 7.590 4.451 1.00 0.00 H new ATOM 1315 N CYS A 87 3.354 4.524 4.926 1.00 0.00 N ATOM 1316 CA CYS A 87 4.341 3.508 5.295 1.00 0.00 C ATOM 1317 C CYS A 87 5.222 3.195 4.078 1.00 0.00 C ATOM 1318 O CYS A 87 4.759 2.580 3.108 1.00 0.00 O ATOM 1319 CB CYS A 87 3.623 2.239 5.800 1.00 0.00 C ATOM 1320 SG CYS A 87 4.718 1.004 6.556 1.00 0.00 S ATOM 0 H CYS A 87 3.195 4.600 3.921 1.00 0.00 H new ATOM 0 HA CYS A 87 4.975 3.880 6.100 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.867 2.531 6.529 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.098 1.777 4.964 1.00 0.00 H new ATOM 0 HG CYS A 87 4.540 -0.146 5.977 1.00 0.00 H new ATOM 1325 N ASP A 88 6.502 3.597 4.164 1.00 0.00 N ATOM 1326 CA ASP A 88 7.487 3.487 3.060 1.00 0.00 C ATOM 1327 C ASP A 88 8.004 2.056 2.903 1.00 0.00 C ATOM 1328 O ASP A 88 8.327 1.635 1.793 1.00 0.00 O ATOM 1329 CB ASP A 88 8.673 4.454 3.300 1.00 0.00 C ATOM 1330 CG ASP A 88 9.348 4.248 4.670 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.823 4.757 5.687 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.392 3.558 4.748 1.00 0.00 O ATOM 0 H ASP A 88 6.892 4.013 5.010 1.00 0.00 H new ATOM 0 HA ASP A 88 6.977 3.762 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.413 4.316 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.318 5.482 3.227 1.00 0.00 H new ATOM 1337 N ILE A 89 8.073 1.325 4.035 1.00 0.00 N ATOM 1338 CA ILE A 89 8.533 -0.075 4.079 1.00 0.00 C ATOM 1339 C ILE A 89 7.678 -0.938 3.131 1.00 0.00 C ATOM 1340 O ILE A 89 8.184 -1.587 2.211 1.00 0.00 O ATOM 1341 CB ILE A 89 8.438 -0.649 5.548 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.252 0.237 6.547 1.00 0.00 C ATOM 1343 CG2 ILE A 89 8.906 -2.128 5.614 1.00 0.00 C ATOM 1344 CD1 ILE A 89 9.157 -0.187 8.010 1.00 0.00 C ATOM 0 H ILE A 89 7.809 1.694 4.949 1.00 0.00 H new ATOM 0 HA ILE A 89 9.575 -0.105 3.759 1.00 0.00 H new ATOM 0 HB ILE A 89 7.389 -0.622 5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.300 0.226 6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 89 8.907 1.267 6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.827 -2.489 6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.278 -2.738 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.943 -2.197 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 89 9.754 0.487 8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.117 -0.147 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 89 9.532 -1.205 8.119 1.00 0.00 H new ATOM 1356 N CYS A 90 6.359 -0.858 3.343 1.00 0.00 N ATOM 1357 CA CYS A 90 5.365 -1.651 2.608 1.00 0.00 C ATOM 1358 C CYS A 90 4.937 -0.936 1.318 1.00 0.00 C ATOM 1359 O CYS A 90 4.239 -1.525 0.489 1.00 0.00 O ATOM 1360 CB CYS A 90 4.145 -1.853 3.511 1.00 0.00 C ATOM 1361 SG CYS A 90 4.532 -2.489 5.168 1.00 0.00 S ATOM 0 H CYS A 90 5.947 -0.234 4.037 1.00 0.00 H new ATOM 0 HA CYS A 90 5.803 -2.611 2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.623 -0.902 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.457 -2.543 3.022 1.00 0.00 H new ATOM 0 HG CYS A 90 3.608 -2.115 6.003 1.00 0.00 H new ATOM 1366 N HIS A 91 5.319 0.363 1.204 1.00 0.00 N ATOM 1367 CA HIS A 91 4.992 1.238 0.052 1.00 0.00 C ATOM 1368 C HIS A 91 3.480 1.484 -0.099 1.00 0.00 C ATOM 1369 O HIS A 91 3.026 1.967 -1.148 1.00 0.00 O ATOM 1370 CB HIS A 91 5.594 0.673 -1.253 1.00 0.00 C ATOM 1371 CG HIS A 91 7.089 0.786 -1.351 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.969 -0.042 -0.686 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.847 1.649 -2.055 1.00 0.00 C ATOM 1374 CE1 HIS A 91 9.205 0.315 -0.977 1.00 0.00 C ATOM 1375 NE2 HIS A 91 9.158 1.339 -1.805 1.00 0.00 N ATOM 0 H HIS A 91 5.870 0.836 1.920 1.00 0.00 H new ATOM 0 HA HIS A 91 5.445 2.208 0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.315 -0.377 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 91 5.147 1.194 -2.100 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.488 2.439 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.103 -0.152 -0.601 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.966 1.822 -2.196 1.00 0.00 H new ATOM 1384 N LEU A 92 2.708 1.193 0.957 1.00 0.00 N ATOM 1385 CA LEU A 92 1.260 1.390 0.943 1.00 0.00 C ATOM 1386 C LEU A 92 0.959 2.737 1.626 1.00 0.00 C ATOM 1387 O LEU A 92 1.377 2.990 2.770 1.00 0.00 O ATOM 1388 CB LEU A 92 0.516 0.162 1.567 1.00 0.00 C ATOM 1389 CG LEU A 92 0.648 -0.108 3.111 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.413 0.661 3.938 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.569 -1.625 3.415 1.00 0.00 C ATOM 0 H LEU A 92 3.069 0.818 1.834 1.00 0.00 H new ATOM 0 HA LEU A 92 0.877 1.443 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.545 0.271 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.862 -0.731 1.046 1.00 0.00 H new ATOM 0 HG LEU A 92 1.627 0.264 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.279 0.440 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.297 1.732 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.411 0.352 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.663 -1.786 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.389 -2.015 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.378 -2.142 2.899 1.00 0.00 H new ATOM 1403 N PHE A 93 0.345 3.639 0.849 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.027 4.988 1.281 1.00 0.00 C ATOM 1405 C PHE A 93 -1.508 5.115 0.982 1.00 0.00 C ATOM 1406 O PHE A 93 -1.884 5.200 -0.183 1.00 0.00 O ATOM 1407 CB PHE A 93 0.777 6.061 0.475 1.00 0.00 C ATOM 1408 CG PHE A 93 2.244 5.696 0.223 1.00 0.00 C ATOM 1409 CD1 PHE A 93 3.109 5.405 1.281 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.752 5.639 -1.077 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.425 5.074 1.045 1.00 0.00 C ATOM 1412 CE2 PHE A 93 4.067 5.305 -1.307 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.907 5.023 -0.244 1.00 0.00 C ATOM 0 H PHE A 93 0.088 3.444 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 93 0.192 5.147 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.285 6.221 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.738 7.007 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.741 5.440 2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.104 5.860 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.081 4.854 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.444 5.263 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.940 4.763 -0.425 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.336 5.123 2.017 1.00 0.00 N ATOM 1424 CA ASP A 94 -3.801 5.007 1.874 1.00 0.00 C ATOM 1425 C ASP A 94 -4.463 5.883 2.916 1.00 0.00 C ATOM 1426 O ASP A 94 -3.804 6.324 3.855 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.262 3.529 2.075 1.00 0.00 C ATOM 1428 CG ASP A 94 -3.607 2.544 1.087 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -3.978 2.559 -0.101 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -2.699 1.771 1.490 1.00 0.00 O ATOM 0 H ASP A 94 -2.023 5.210 2.984 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.086 5.325 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.029 3.219 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.345 3.476 1.965 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.765 6.145 2.744 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.598 6.722 3.817 1.00 0.00 C ATOM 1437 C LYS A 95 -6.531 5.791 5.040 1.00 0.00 C ATOM 1438 O LYS A 95 -6.272 4.598 4.881 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.061 6.873 3.357 1.00 0.00 C ATOM 1440 CG LYS A 95 -8.270 7.765 2.116 1.00 0.00 C ATOM 1441 CD LYS A 95 -9.748 7.775 1.659 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.698 8.380 2.706 1.00 0.00 C ATOM 1443 NZ LYS A 95 -12.125 8.246 2.307 1.00 0.00 N ATOM 0 H LYS A 95 -6.268 5.968 1.874 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.221 7.713 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.462 5.882 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.644 7.283 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.952 8.783 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.640 7.408 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.832 8.341 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.061 6.754 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.542 7.887 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.458 9.434 2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.731 8.666 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.281 8.739 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.362 7.239 2.197 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.756 6.306 6.248 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.598 5.480 7.450 1.00 0.00 C ATOM 1459 C ASP A 96 -7.896 4.713 7.708 1.00 0.00 C ATOM 1460 O ASP A 96 -8.924 5.293 8.087 1.00 0.00 O ATOM 1461 CB ASP A 96 -6.195 6.328 8.686 1.00 0.00 C ATOM 1462 CG ASP A 96 -6.061 5.473 9.965 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -5.189 4.574 9.992 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -6.833 5.670 10.924 1.00 0.00 O ATOM 0 H ASP A 96 -7.042 7.269 6.422 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.787 4.772 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.248 6.830 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.940 7.106 8.848 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.831 3.393 7.484 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.896 2.451 7.849 1.00 0.00 C ATOM 1471 C LYS A 97 -8.454 1.715 9.134 1.00 0.00 C ATOM 1472 O LYS A 97 -8.607 0.490 9.252 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.191 1.456 6.673 1.00 0.00 C ATOM 1474 CG LYS A 97 -9.669 2.096 5.329 1.00 0.00 C ATOM 1475 CD LYS A 97 -8.513 2.558 4.416 1.00 0.00 C ATOM 1476 CE LYS A 97 -8.977 3.082 3.046 1.00 0.00 C ATOM 1477 NZ LYS A 97 -9.576 2.016 2.210 1.00 0.00 N ATOM 0 H LYS A 97 -7.029 2.946 7.040 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.829 2.982 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.286 0.881 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.951 0.749 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.280 1.372 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.309 2.950 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.952 3.343 4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.828 1.724 4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.706 3.879 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.128 3.519 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.935 2.429 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.854 1.300 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.360 1.569 2.726 1.00 0.00 H new ATOM 1491 N LYS A 98 -7.881 2.506 10.092 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.353 2.013 11.385 1.00 0.00 C ATOM 1493 C LYS A 98 -6.163 1.039 11.178 1.00 0.00 C ATOM 1494 O LYS A 98 -5.756 0.329 12.108 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.491 1.391 12.245 1.00 0.00 C ATOM 1496 CG LYS A 98 -9.490 2.383 12.916 1.00 0.00 C ATOM 1497 CD LYS A 98 -10.450 3.142 11.946 1.00 0.00 C ATOM 1498 CE LYS A 98 -9.952 4.544 11.544 1.00 0.00 C ATOM 1499 NZ LYS A 98 -10.835 5.197 10.539 1.00 0.00 N ATOM 0 H LYS A 98 -7.776 3.514 9.977 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.960 2.864 11.941 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.061 0.711 11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.033 0.788 13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.094 1.830 13.635 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.918 3.119 13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.587 2.544 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.428 3.236 12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.891 5.173 12.432 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.943 4.465 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.324 5.292 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.686 4.616 10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.113 6.139 10.881 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.571 1.099 9.959 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.585 0.123 9.457 1.00 0.00 C ATOM 1515 C GLN A 99 -3.216 0.283 10.158 1.00 0.00 C ATOM 1516 O GLN A 99 -2.461 1.232 9.918 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.478 0.242 7.907 1.00 0.00 C ATOM 1518 CG GLN A 99 -4.226 1.671 7.386 1.00 0.00 C ATOM 1519 CD GLN A 99 -4.407 1.807 5.873 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -5.505 2.067 5.402 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -3.340 1.623 5.106 1.00 0.00 N ATOM 0 H GLN A 99 -5.772 1.842 9.290 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.927 -0.884 9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.671 -0.404 7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.399 -0.135 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.906 2.358 7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.213 1.973 7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.438 1.407 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.422 1.697 4.092 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.896 -0.710 10.987 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.769 -0.670 11.942 1.00 0.00 C ATOM 1532 C TYR A 100 -0.555 -1.417 11.364 1.00 0.00 C ATOM 1533 O TYR A 100 -0.704 -2.524 10.830 1.00 0.00 O ATOM 1534 CB TYR A 100 -2.214 -1.317 13.291 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.702 -2.787 13.178 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -4.034 -3.088 12.865 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.819 -3.862 13.351 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -4.457 -4.395 12.729 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -2.245 -5.169 13.218 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.560 -5.429 12.907 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.982 -6.740 12.774 1.00 0.00 O ATOM 0 H TYR A 100 -3.418 -1.586 11.021 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.480 0.366 12.118 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.378 -1.279 13.989 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.015 -0.715 13.720 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.742 -2.284 12.728 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.785 -3.664 13.593 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.487 -4.608 12.484 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.549 -5.983 13.357 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.238 -7.293 12.456 1.00 0.00 H new ATOM 1551 N HIS A 101 0.645 -0.807 11.428 1.00 0.00 N ATOM 1552 CA HIS A 101 1.889 -1.495 11.037 1.00 0.00 C ATOM 1553 C HIS A 101 2.464 -2.216 12.250 1.00 0.00 C ATOM 1554 O HIS A 101 2.966 -1.594 13.190 1.00 0.00 O ATOM 1555 CB HIS A 101 2.933 -0.542 10.382 1.00 0.00 C ATOM 1556 CG HIS A 101 4.226 -1.236 9.969 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.405 -1.837 8.708 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.332 -1.470 10.728 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.598 -2.415 8.801 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.178 -2.215 9.979 1.00 0.00 N ATOM 0 H HIS A 101 0.778 0.154 11.744 1.00 0.00 H new ATOM 0 HA HIS A 101 1.644 -2.224 10.265 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.485 -0.076 9.504 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.169 0.259 11.082 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.502 -1.126 11.737 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.048 -2.987 8.003 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.094 -2.560 10.267 1.00 0.00 H new ATOM 1568 N CYS A 102 2.341 -3.538 12.219 1.00 0.00 N ATOM 1569 CA CYS A 102 2.956 -4.421 13.194 1.00 0.00 C ATOM 1570 C CYS A 102 4.428 -4.621 12.842 1.00 0.00 C ATOM 1571 O CYS A 102 4.745 -5.009 11.711 1.00 0.00 O ATOM 1572 CB CYS A 102 2.225 -5.763 13.198 1.00 0.00 C ATOM 1573 SG CYS A 102 2.812 -6.950 14.440 1.00 0.00 S ATOM 0 H CYS A 102 1.804 -4.030 11.505 1.00 0.00 H new ATOM 0 HA CYS A 102 2.887 -3.978 14.188 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.163 -5.581 13.364 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.321 -6.215 12.211 1.00 0.00 H new ATOM 0 HG CYS A 102 2.646 -8.160 13.996 1.00 0.00 H new ATOM 1578 N GLU A 103 5.309 -4.336 13.804 1.00 0.00 N ATOM 1579 CA GLU A 103 6.767 -4.483 13.651 1.00 0.00 C ATOM 1580 C GLU A 103 7.144 -5.973 13.540 1.00 0.00 C ATOM 1581 O GLU A 103 8.009 -6.344 12.749 1.00 0.00 O ATOM 1582 CB GLU A 103 7.481 -3.823 14.860 1.00 0.00 C ATOM 1583 CG GLU A 103 7.055 -2.359 15.115 1.00 0.00 C ATOM 1584 CD GLU A 103 7.601 -1.779 16.433 1.00 0.00 C ATOM 1585 OE1 GLU A 103 7.274 -2.328 17.508 1.00 0.00 O ATOM 1586 OE2 GLU A 103 8.348 -0.776 16.405 1.00 0.00 O ATOM 0 H GLU A 103 5.031 -3.992 14.723 1.00 0.00 H new ATOM 0 HA GLU A 103 7.088 -3.985 12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.278 -4.411 15.755 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.558 -3.854 14.695 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.398 -1.740 14.286 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.967 -2.303 15.126 1.00 0.00 H new ATOM 1593 N ASN A 104 6.444 -6.816 14.329 1.00 0.00 N ATOM 1594 CA ASN A 104 6.703 -8.270 14.398 1.00 0.00 C ATOM 1595 C ASN A 104 6.239 -8.996 13.111 1.00 0.00 C ATOM 1596 O ASN A 104 6.909 -9.918 12.644 1.00 0.00 O ATOM 1597 CB ASN A 104 6.001 -8.878 15.639 1.00 0.00 C ATOM 1598 CG ASN A 104 6.325 -8.188 16.978 1.00 0.00 C ATOM 1599 OD1 ASN A 104 5.484 -8.147 17.877 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.531 -7.653 17.137 1.00 0.00 N ATOM 0 H ASN A 104 5.684 -6.508 14.936 1.00 0.00 H new ATOM 0 HA ASN A 104 7.780 -8.412 14.487 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.923 -8.842 15.481 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.277 -9.930 15.714 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.775 -7.197 18.016 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.213 -7.698 16.380 1.00 0.00 H new ATOM 1607 N CYS A 105 5.073 -8.583 12.562 1.00 0.00 N ATOM 1608 CA CYS A 105 4.561 -9.123 11.271 1.00 0.00 C ATOM 1609 C CYS A 105 5.244 -8.426 10.068 1.00 0.00 C ATOM 1610 O CYS A 105 5.215 -8.943 8.951 1.00 0.00 O ATOM 1611 CB CYS A 105 3.014 -8.988 11.162 1.00 0.00 C ATOM 1612 SG CYS A 105 2.040 -9.967 12.361 1.00 0.00 S ATOM 0 H CYS A 105 4.468 -7.881 12.987 1.00 0.00 H new ATOM 0 HA CYS A 105 4.808 -10.184 11.248 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.751 -7.937 11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.713 -9.279 10.155 1.00 0.00 H new ATOM 0 HG CYS A 105 1.209 -9.186 12.985 1.00 0.00 H new ATOM 1617 N GLY A 106 5.817 -7.227 10.308 1.00 0.00 N ATOM 1618 CA GLY A 106 6.562 -6.473 9.278 1.00 0.00 C ATOM 1619 C GLY A 106 5.665 -5.829 8.217 1.00 0.00 C ATOM 1620 O GLY A 106 6.148 -5.352 7.183 1.00 0.00 O ATOM 0 H GLY A 106 5.777 -6.758 11.213 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.150 -5.695 9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.266 -7.145 8.787 1.00 0.00 H new ATOM 1624 N ILE A 107 4.348 -5.780 8.497 1.00 0.00 N ATOM 1625 CA ILE A 107 3.309 -5.343 7.533 1.00 0.00 C ATOM 1626 C ILE A 107 2.258 -4.469 8.232 1.00 0.00 C ATOM 1627 O ILE A 107 2.207 -4.412 9.465 1.00 0.00 O ATOM 1628 CB ILE A 107 2.568 -6.579 6.877 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.931 -7.488 7.986 1.00 0.00 C ATOM 1630 CG2 ILE A 107 3.525 -7.392 5.972 1.00 0.00 C ATOM 1631 CD1 ILE A 107 1.048 -8.608 7.467 1.00 0.00 C ATOM 0 H ILE A 107 3.968 -6.044 9.406 1.00 0.00 H new ATOM 0 HA ILE A 107 3.818 -4.773 6.755 1.00 0.00 H new ATOM 0 HB ILE A 107 1.766 -6.197 6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.733 -7.924 8.582 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.341 -6.861 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.987 -8.234 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.904 -6.752 5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.360 -7.764 6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.654 -9.180 8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.221 -8.185 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.634 -9.265 6.824 1.00 0.00 H new ATOM 1643 N CYS A 108 1.416 -3.802 7.421 1.00 0.00 N ATOM 1644 CA CYS A 108 0.196 -3.130 7.895 1.00 0.00 C ATOM 1645 C CYS A 108 -1.004 -3.600 7.069 1.00 0.00 C ATOM 1646 O CYS A 108 -1.053 -3.392 5.855 1.00 0.00 O ATOM 1647 CB CYS A 108 0.340 -1.583 7.881 1.00 0.00 C ATOM 1648 SG CYS A 108 1.409 -0.901 6.601 1.00 0.00 S ATOM 0 H CYS A 108 1.565 -3.715 6.416 1.00 0.00 H new ATOM 0 HA CYS A 108 0.031 -3.407 8.936 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.652 -1.147 7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.720 -1.264 8.852 1.00 0.00 H new ATOM 0 HG CYS A 108 2.500 -0.448 7.143 1.00 0.00 H new ATOM 1653 N ARG A 109 -1.944 -4.267 7.756 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.193 -4.791 7.172 1.00 0.00 C ATOM 1655 C ARG A 109 -4.361 -3.863 7.523 1.00 0.00 C ATOM 1656 O ARG A 109 -4.291 -3.110 8.507 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.473 -6.220 7.722 1.00 0.00 C ATOM 1658 CG ARG A 109 -2.523 -7.314 7.193 1.00 0.00 C ATOM 1659 CD ARG A 109 -2.706 -7.581 5.685 1.00 0.00 C ATOM 1660 NE ARG A 109 -4.078 -8.021 5.361 1.00 0.00 N ATOM 1661 CZ ARG A 109 -4.430 -8.791 4.321 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -3.527 -9.258 3.467 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -5.707 -9.078 4.136 1.00 0.00 N ATOM 0 H ARG A 109 -1.857 -4.462 8.753 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.087 -4.838 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.406 -6.195 8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.497 -6.496 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.492 -7.017 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -2.696 -8.238 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.475 -6.674 5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.996 -8.343 5.363 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.824 -7.712 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.540 -9.033 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.820 -9.842 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.410 -8.715 4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.990 -9.662 3.349 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.437 -3.947 6.720 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.699 -3.245 7.005 1.00 0.00 C ATOM 1679 C ILE A 110 -7.408 -3.975 8.163 1.00 0.00 C ATOM 1680 O ILE A 110 -7.959 -5.065 7.982 1.00 0.00 O ATOM 1681 CB ILE A 110 -7.635 -3.162 5.733 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -6.904 -2.443 4.548 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -8.986 -2.464 6.065 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -6.513 -0.994 4.804 1.00 0.00 C ATOM 0 H ILE A 110 -5.456 -4.499 5.862 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.476 -2.216 7.288 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.862 -4.181 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.004 -3.007 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.550 -2.478 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.605 -2.424 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.506 -3.027 6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.795 -1.451 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.014 -0.591 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.407 -0.408 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.837 -0.945 5.658 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.332 -3.372 9.348 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.876 -3.936 10.575 1.00 0.00 C ATOM 1698 C GLY A 111 -7.885 -2.885 11.648 1.00 0.00 C ATOM 1699 O GLY A 111 -6.935 -2.102 11.699 1.00 0.00 O ATOM 0 H GLY A 111 -6.884 -2.465 9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.888 -4.303 10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.277 -4.790 10.892 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.929 -2.801 12.522 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.946 -1.796 13.571 1.00 0.00 C ATOM 1705 C PRO A 112 -7.925 -2.142 14.669 1.00 0.00 C ATOM 1706 O PRO A 112 -7.969 -3.222 15.278 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.403 -1.773 14.047 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.883 -3.173 13.818 1.00 0.00 C ATOM 1709 CD PRO A 112 -10.143 -3.667 12.576 1.00 0.00 C ATOM 0 HA PRO A 112 -8.643 -0.803 13.238 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.475 -1.494 15.098 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.995 -1.051 13.484 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.668 -3.806 14.679 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.962 -3.197 13.666 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.880 -4.721 12.659 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.752 -3.560 11.678 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.976 -1.220 14.850 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.840 -1.378 15.770 1.00 0.00 C ATOM 1719 C LYS A 113 -6.292 -1.500 17.248 1.00 0.00 C ATOM 1720 O LYS A 113 -5.578 -2.041 18.092 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.856 -0.197 15.596 1.00 0.00 C ATOM 1722 CG LYS A 113 -5.465 1.190 15.885 1.00 0.00 C ATOM 1723 CD LYS A 113 -4.450 2.334 15.697 1.00 0.00 C ATOM 1724 CE LYS A 113 -4.017 2.540 14.237 1.00 0.00 C ATOM 1725 NZ LYS A 113 -3.035 3.648 14.119 1.00 0.00 N ATOM 0 H LYS A 113 -6.973 -0.328 14.355 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.336 -2.311 15.517 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.003 -0.350 16.257 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.474 -0.206 14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.317 1.353 15.225 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.845 1.210 16.907 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.886 3.260 16.072 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.568 2.129 16.303 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.579 1.619 13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.891 2.758 13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.761 3.764 13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.464 4.530 14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.192 3.427 14.687 1.00 0.00 H new ATOM 1739 N GLU A 114 -7.473 -0.957 17.536 1.00 0.00 N ATOM 1740 CA GLU A 114 -8.113 -1.019 18.857 1.00 0.00 C ATOM 1741 C GLU A 114 -8.648 -2.437 19.178 1.00 0.00 C ATOM 1742 O GLU A 114 -8.872 -2.767 20.345 1.00 0.00 O ATOM 1743 CB GLU A 114 -9.264 0.034 18.949 1.00 0.00 C ATOM 1744 CG GLU A 114 -10.294 0.013 17.777 1.00 0.00 C ATOM 1745 CD GLU A 114 -10.038 1.076 16.675 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -9.040 0.961 15.935 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -10.844 2.024 16.543 1.00 0.00 O ATOM 0 H GLU A 114 -8.027 -0.450 16.846 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.353 -0.785 19.602 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.802 -0.123 19.884 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.819 1.028 19.000 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.284 -0.976 17.319 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.293 0.165 18.185 1.00 0.00 H new ATOM 1754 N ASP A 115 -8.836 -3.274 18.139 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.477 -4.606 18.276 1.00 0.00 C ATOM 1756 C ASP A 115 -8.463 -5.769 18.232 1.00 0.00 C ATOM 1757 O ASP A 115 -8.756 -6.852 18.742 1.00 0.00 O ATOM 1758 CB ASP A 115 -10.546 -4.788 17.166 1.00 0.00 C ATOM 1759 CG ASP A 115 -11.448 -6.025 17.364 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -12.397 -5.940 18.166 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -11.206 -7.084 16.738 1.00 0.00 O ATOM 0 H ASP A 115 -8.551 -3.052 17.185 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.947 -4.637 19.259 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -11.172 -3.896 17.128 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.044 -4.867 16.201 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.267 -5.560 17.660 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.338 -6.682 17.394 1.00 0.00 C ATOM 1768 C PHE A 116 -5.482 -7.001 18.640 1.00 0.00 C ATOM 1769 O PHE A 116 -5.446 -6.234 19.615 1.00 0.00 O ATOM 1770 CB PHE A 116 -5.408 -6.387 16.159 1.00 0.00 C ATOM 1771 CG PHE A 116 -4.084 -5.671 16.489 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -4.056 -4.312 16.758 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -2.877 -6.374 16.545 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -2.874 -3.667 17.072 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -1.698 -5.735 16.857 1.00 0.00 C ATOM 1776 CZ PHE A 116 -1.696 -4.380 17.123 1.00 0.00 C ATOM 0 H PHE A 116 -6.920 -4.644 17.375 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.948 -7.553 17.156 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -5.178 -7.331 15.664 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -5.963 -5.779 15.444 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.975 -3.746 16.722 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -2.869 -7.434 16.340 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -2.874 -2.607 17.277 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -0.774 -6.294 16.894 1.00 0.00 H new ATOM 0 HZ PHE A 116 -0.772 -3.879 17.371 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.801 -8.152 18.570 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.702 -8.521 19.463 1.00 0.00 C ATOM 1788 C PHE A 117 -2.672 -9.334 18.646 1.00 0.00 C ATOM 1789 O PHE A 117 -3.054 -10.230 17.873 1.00 0.00 O ATOM 1790 CB PHE A 117 -4.224 -9.321 20.698 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.986 -10.619 20.382 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -4.315 -11.840 20.257 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -6.373 -10.614 20.214 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -5.000 -13.000 19.975 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -7.056 -11.781 19.935 1.00 0.00 C ATOM 1796 CZ PHE A 117 -6.371 -12.972 19.814 1.00 0.00 C ATOM 0 H PHE A 117 -5.006 -8.868 17.873 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.224 -7.625 19.859 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.373 -9.567 21.334 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.878 -8.670 21.279 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.243 -11.873 20.384 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.918 -9.686 20.303 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.465 -13.933 19.880 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.129 -11.761 19.811 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.907 -13.883 19.593 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.380 -8.985 18.757 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.298 -9.800 18.175 1.00 0.00 C ATOM 1808 C HIS A 118 0.099 -10.879 19.186 1.00 0.00 C ATOM 1809 O HIS A 118 0.641 -10.562 20.255 1.00 0.00 O ATOM 1810 CB HIS A 118 0.947 -8.942 17.782 1.00 0.00 C ATOM 1811 CG HIS A 118 2.119 -9.771 17.271 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.211 -10.133 15.948 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.127 -10.366 17.963 1.00 0.00 C ATOM 1814 CE1 HIS A 118 3.247 -10.952 15.885 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.827 -11.116 17.075 1.00 0.00 N ATOM 0 H HIS A 118 -1.059 -8.147 19.242 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.667 -10.255 17.256 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.657 -8.225 17.014 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.270 -8.366 18.649 1.00 0.00 H new ATOM 0 HD1 HIS A 118 1.610 -9.834 15.180 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.331 -10.262 19.018 1.00 0.00 H new ATOM 0 HE1 HIS A 118 3.584 -11.431 14.978 1.00 0.00 H new ATOM 1823 N CYS A 119 -0.173 -12.148 18.852 1.00 0.00 N ATOM 1824 CA CYS A 119 0.296 -13.279 19.657 1.00 0.00 C ATOM 1825 C CYS A 119 1.689 -13.702 19.170 1.00 0.00 C ATOM 1826 O CYS A 119 1.848 -14.097 18.003 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.669 -14.468 19.586 1.00 0.00 C ATOM 1828 SG CYS A 119 -0.126 -15.847 20.640 1.00 0.00 S ATOM 0 H CYS A 119 -0.715 -12.415 18.030 1.00 0.00 H new ATOM 0 HA CYS A 119 0.344 -12.960 20.698 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.664 -14.147 19.893 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.749 -14.810 18.554 1.00 0.00 H new ATOM 0 HG CYS A 119 -0.260 -16.967 19.993 1.00 0.00 H new ATOM 1833 N LEU A 120 2.680 -13.600 20.077 1.00 0.00 N ATOM 1834 CA LEU A 120 4.091 -13.938 19.808 1.00 0.00 C ATOM 1835 C LEU A 120 4.225 -15.435 19.458 1.00 0.00 C ATOM 1836 O LEU A 120 4.682 -15.792 18.359 1.00 0.00 O ATOM 1837 CB LEU A 120 4.999 -13.564 21.034 1.00 0.00 C ATOM 1838 CG LEU A 120 5.265 -12.036 21.303 1.00 0.00 C ATOM 1839 CD1 LEU A 120 5.974 -11.362 20.105 1.00 0.00 C ATOM 1840 CD2 LEU A 120 3.978 -11.273 21.699 1.00 0.00 C ATOM 0 H LEU A 120 2.520 -13.276 21.031 1.00 0.00 H new ATOM 0 HA LEU A 120 4.430 -13.353 18.953 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.546 -13.989 21.930 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.963 -14.055 20.900 1.00 0.00 H new ATOM 0 HG LEU A 120 5.938 -11.984 22.159 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.141 -10.308 20.327 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.931 -11.851 19.927 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.350 -11.451 19.216 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.216 -10.224 21.874 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.247 -11.350 20.894 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.563 -11.707 22.609 1.00 0.00 H new ATOM 1852 N LYS A 121 3.787 -16.302 20.392 1.00 0.00 N ATOM 1853 CA LYS A 121 3.822 -17.762 20.206 1.00 0.00 C ATOM 1854 C LYS A 121 2.590 -18.212 19.383 1.00 0.00 C ATOM 1855 O LYS A 121 1.576 -18.618 19.944 1.00 0.00 O ATOM 1856 CB LYS A 121 3.915 -18.477 21.585 1.00 0.00 C ATOM 1857 CG LYS A 121 4.245 -19.987 21.531 1.00 0.00 C ATOM 1858 CD LYS A 121 5.600 -20.281 20.844 1.00 0.00 C ATOM 1859 CE LYS A 121 6.016 -21.757 20.942 1.00 0.00 C ATOM 1860 NZ LYS A 121 6.271 -22.170 22.345 1.00 0.00 N ATOM 0 H LYS A 121 3.402 -16.010 21.290 1.00 0.00 H new ATOM 0 HA LYS A 121 4.711 -18.045 19.643 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.677 -17.977 22.183 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.966 -18.349 22.106 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.263 -20.387 22.545 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.451 -20.509 20.996 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.538 -19.996 19.794 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.373 -19.661 21.298 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.232 -22.384 20.516 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.914 -21.921 20.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.740 -23.098 22.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.884 -21.468 22.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.368 -22.233 22.858 1.00 0.00 H new ATOM 1874 N CYS A 122 2.717 -18.026 18.053 1.00 0.00 N ATOM 1875 CA CYS A 122 1.706 -18.327 16.998 1.00 0.00 C ATOM 1876 C CYS A 122 2.173 -17.686 15.666 1.00 0.00 C ATOM 1877 O CYS A 122 1.800 -18.155 14.583 1.00 0.00 O ATOM 1878 CB CYS A 122 0.261 -17.818 17.321 1.00 0.00 C ATOM 1879 SG CYS A 122 -0.718 -18.870 18.458 1.00 0.00 S ATOM 0 H CYS A 122 3.574 -17.640 17.656 1.00 0.00 H new ATOM 0 HA CYS A 122 1.641 -19.413 16.935 1.00 0.00 H new ATOM 0 HB2 CYS A 122 0.336 -16.820 17.753 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -0.287 -17.720 16.384 1.00 0.00 H new ATOM 0 HG CYS A 122 0.010 -19.193 19.485 1.00 0.00 H new ATOM 1884 N ASN A 123 2.976 -16.589 15.784 1.00 0.00 N ATOM 1885 CA ASN A 123 3.506 -15.804 14.641 1.00 0.00 C ATOM 1886 C ASN A 123 2.364 -15.196 13.791 1.00 0.00 C ATOM 1887 O ASN A 123 2.371 -15.297 12.553 1.00 0.00 O ATOM 1888 CB ASN A 123 4.477 -16.645 13.749 1.00 0.00 C ATOM 1889 CG ASN A 123 5.779 -17.038 14.452 1.00 0.00 C ATOM 1890 OD1 ASN A 123 5.877 -18.105 15.052 1.00 0.00 O ATOM 1891 ND2 ASN A 123 6.786 -16.175 14.380 1.00 0.00 N ATOM 0 H ASN A 123 3.274 -16.225 16.689 1.00 0.00 H new ATOM 0 HA ASN A 123 4.083 -14.983 15.067 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.964 -17.550 13.423 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.717 -16.074 12.852 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.675 -16.390 14.832 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.670 -15.297 13.873 1.00 0.00 H new ATOM 1898 N LEU A 124 1.394 -14.534 14.461 1.00 0.00 N ATOM 1899 CA LEU A 124 0.220 -13.947 13.775 1.00 0.00 C ATOM 1900 C LEU A 124 -0.479 -12.881 14.651 1.00 0.00 C ATOM 1901 O LEU A 124 -0.522 -12.999 15.887 1.00 0.00 O ATOM 1902 CB LEU A 124 -0.801 -15.074 13.394 1.00 0.00 C ATOM 1903 CG LEU A 124 -2.017 -14.643 12.501 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -1.552 -14.150 11.111 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -3.060 -15.780 12.370 1.00 0.00 C ATOM 0 H LEU A 124 1.400 -14.393 15.471 1.00 0.00 H new ATOM 0 HA LEU A 124 0.577 -13.457 12.870 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.259 -15.864 12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.191 -15.507 14.315 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.504 -13.807 13.003 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.420 -13.860 10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.891 -13.291 11.232 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.017 -14.951 10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.887 -15.445 11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.592 -16.653 11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.436 -16.044 13.358 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.007 -11.832 13.987 1.00 0.00 N ATOM 1918 CA CYS A 125 -1.988 -10.898 14.575 1.00 0.00 C ATOM 1919 C CYS A 125 -3.399 -11.454 14.355 1.00 0.00 C ATOM 1920 O CYS A 125 -3.799 -11.701 13.209 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.892 -9.484 13.938 1.00 0.00 C ATOM 1922 SG CYS A 125 -0.653 -8.402 14.695 1.00 0.00 S ATOM 0 H CYS A 125 -0.763 -11.608 13.022 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.770 -10.803 15.639 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.663 -9.592 12.878 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.867 -9.002 14.006 1.00 0.00 H new ATOM 0 HG CYS A 125 -1.245 -7.529 15.455 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.135 -11.667 15.450 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.558 -12.035 15.395 1.00 0.00 C ATOM 1929 C LEU A 126 -6.410 -10.853 15.871 1.00 0.00 C ATOM 1930 O LEU A 126 -5.894 -9.882 16.430 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.865 -13.296 16.247 1.00 0.00 C ATOM 1932 CG LEU A 126 -5.335 -14.668 15.702 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -3.817 -14.835 15.934 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -6.123 -15.840 16.313 1.00 0.00 C ATOM 0 H LEU A 126 -3.765 -11.590 16.398 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.805 -12.276 14.361 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.448 -13.143 17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.946 -13.372 16.363 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.495 -14.674 14.624 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.493 -15.799 15.541 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.281 -14.036 15.423 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.605 -14.789 17.002 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.738 -16.781 15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.013 -15.827 17.397 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.178 -15.743 16.055 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.718 -10.962 15.639 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.713 -9.970 16.082 1.00 0.00 C ATOM 1948 C ALA A 127 -9.339 -10.453 17.394 1.00 0.00 C ATOM 1949 O ALA A 127 -9.233 -11.636 17.725 1.00 0.00 O ATOM 1950 CB ALA A 127 -9.774 -9.766 14.992 1.00 0.00 C ATOM 0 H ALA A 127 -8.127 -11.748 15.133 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.235 -9.006 16.256 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.505 -9.031 15.329 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.295 -9.410 14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.277 -10.712 14.792 1.00 0.00 H new ATOM 1956 N MET A 128 -9.987 -9.553 18.145 1.00 0.00 N ATOM 1957 CA MET A 128 -10.549 -9.884 19.476 1.00 0.00 C ATOM 1958 C MET A 128 -11.767 -10.840 19.379 1.00 0.00 C ATOM 1959 O MET A 128 -12.228 -11.365 20.392 1.00 0.00 O ATOM 1960 CB MET A 128 -10.896 -8.580 20.241 1.00 0.00 C ATOM 1961 CG MET A 128 -11.035 -8.737 21.765 1.00 0.00 C ATOM 1962 SD MET A 128 -10.799 -7.177 22.646 1.00 0.00 S ATOM 1963 CE MET A 128 -9.083 -6.806 22.247 1.00 0.00 C ATOM 0 H MET A 128 -10.139 -8.586 17.859 1.00 0.00 H new ATOM 0 HA MET A 128 -9.789 -10.425 20.040 1.00 0.00 H new ATOM 0 HB2 MET A 128 -10.122 -7.840 20.036 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.830 -8.182 19.845 1.00 0.00 H new ATOM 0 HG2 MET A 128 -12.022 -9.136 21.997 1.00 0.00 H new ATOM 0 HG3 MET A 128 -10.306 -9.465 22.120 1.00 0.00 H new ATOM 0 HE1 MET A 128 -8.643 -6.212 23.049 1.00 0.00 H new ATOM 0 HE2 MET A 128 -8.526 -7.736 22.137 1.00 0.00 H new ATOM 0 HE3 MET A 128 -9.040 -6.244 21.314 1.00 0.00 H new