USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 665 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 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.057) USER MOD Set 2.1: A 50 ASN : amide:sc= -3.05 X(o=-9.6,f=-9.5!) USER MOD Set 2.2: A 53 ASN : amide:sc= -6.53! C(o=-9.6!,f=-9.2!) USER MOD Set 3.1: A 44 LYS NZ :NH3+ -101:sc= 0.338 (180deg=-1.36) USER MOD Set 3.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -93:sc= 0.162 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -85:sc= 0.701 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.0838 (180deg=-0.44) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= -0.0133 (180deg=-0.164) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -127:sc= -0.189 (180deg=-0.51) USER MOD Single : A 46 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-8.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0.965 (180deg=0.921) USER MOD Single : A 64 ASN : amide:sc= -5.43! C(o=-5.4!,f=-8.2!) USER MOD Single : A 65 ASN :FLIP amide:sc= -8.67! C(o=-9.2!,f=-8.7!) USER MOD Single : A 67 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-6.5!) USER MOD Single : A 71 THR OG1 : rot -105:sc= 1.06 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= -0.0536 (180deg=-0.336) USER MOD Single : A 77 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.4) USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= -0.233 (180deg=-1.68) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 99 ASN : amide:sc= -1.12 K(o=-1.1,f=-7.3!) USER MOD Single : A 100 THR OG1 : rot -25:sc= 0.186 USER MOD Single : A 101 TYR OH : rot -124:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 0.248 -7.510 -4.695 1.00 0.00 N ATOM 220 CA SER A 18 -0.238 -7.080 -3.389 1.00 0.00 C ATOM 221 C SER A 18 0.430 -5.776 -2.963 1.00 0.00 C ATOM 222 O SER A 18 1.285 -5.243 -3.671 1.00 0.00 O ATOM 223 CB SER A 18 0.022 -8.165 -2.342 1.00 0.00 C ATOM 224 OG SER A 18 -1.021 -9.124 -2.331 1.00 0.00 O ATOM 0 HA SER A 18 -1.312 -6.910 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.971 -8.658 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.111 -7.709 -1.356 1.00 0.00 H new ATOM 0 HG SER A 18 -1.695 -8.867 -1.667 1.00 0.00 H new ATOM 230 N LEU A 19 0.034 -5.268 -1.801 1.00 0.00 N ATOM 231 CA LEU A 19 0.593 -4.027 -1.279 1.00 0.00 C ATOM 232 C LEU A 19 2.094 -3.953 -1.540 1.00 0.00 C ATOM 233 O LEU A 19 2.620 -2.902 -1.906 1.00 0.00 O ATOM 234 CB LEU A 19 0.318 -3.912 0.222 1.00 0.00 C ATOM 235 CG LEU A 19 -1.153 -3.918 0.637 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.292 -4.287 2.106 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.789 -2.563 0.364 1.00 0.00 C ATOM 0 H LEU A 19 -0.672 -5.697 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 19 0.112 -3.196 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.821 -4.737 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.773 -2.991 0.585 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.675 -4.669 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.346 -4.286 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.874 -5.280 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.756 -3.560 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.836 -2.585 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.264 -1.794 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.723 -2.338 -0.700 1.00 0.00 H new ATOM 249 N TYR A 20 2.778 -5.076 -1.351 1.00 0.00 N ATOM 250 CA TYR A 20 4.218 -5.139 -1.566 1.00 0.00 C ATOM 251 C TYR A 20 4.628 -4.289 -2.764 1.00 0.00 C ATOM 252 O TYR A 20 5.559 -3.486 -2.682 1.00 0.00 O ATOM 253 CB TYR A 20 4.660 -6.588 -1.780 1.00 0.00 C ATOM 254 CG TYR A 20 3.945 -7.577 -0.888 1.00 0.00 C ATOM 255 CD1 TYR A 20 4.096 -7.535 0.493 1.00 0.00 C ATOM 256 CD2 TYR A 20 3.116 -8.554 -1.426 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.444 -8.437 1.311 1.00 0.00 C ATOM 258 CE2 TYR A 20 2.459 -9.460 -0.616 1.00 0.00 C ATOM 259 CZ TYR A 20 2.627 -9.397 0.752 1.00 0.00 C ATOM 260 OH TYR A 20 1.975 -10.297 1.564 1.00 0.00 O ATOM 0 H TYR A 20 2.358 -5.955 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 20 4.710 -4.743 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.489 -6.861 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.733 -6.662 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.734 -6.784 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.983 -8.606 -2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.573 -8.391 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.818 -10.213 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 20 1.439 -10.905 1.014 1.00 0.00 H new ATOM 270 N HIS A 21 3.926 -4.470 -3.878 1.00 0.00 N ATOM 271 CA HIS A 21 4.215 -3.719 -5.095 1.00 0.00 C ATOM 272 C HIS A 21 4.095 -2.218 -4.848 1.00 0.00 C ATOM 273 O HIS A 21 4.995 -1.449 -5.186 1.00 0.00 O ATOM 274 CB HIS A 21 3.266 -4.140 -6.217 1.00 0.00 C ATOM 275 CG HIS A 21 3.715 -5.364 -6.953 1.00 0.00 C ATOM 276 ND1 HIS A 21 3.625 -5.494 -8.323 1.00 0.00 N ATOM 277 CD2 HIS A 21 4.262 -6.518 -6.503 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.095 -6.675 -8.683 1.00 0.00 C ATOM 279 NE2 HIS A 21 4.489 -7.316 -7.597 1.00 0.00 N ATOM 0 H HIS A 21 3.153 -5.130 -3.963 1.00 0.00 H new ATOM 0 HA HIS A 21 5.240 -3.940 -5.394 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.277 -4.321 -5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.165 -3.317 -6.925 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.479 -6.765 -5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.148 -7.052 -9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.896 -8.251 -7.575 1.00 0.00 H new ATOM 287 N VAL A 22 2.978 -1.807 -4.256 1.00 0.00 N ATOM 288 CA VAL A 22 2.741 -0.399 -3.964 1.00 0.00 C ATOM 289 C VAL A 22 4.011 0.280 -3.463 1.00 0.00 C ATOM 290 O VAL A 22 4.266 1.446 -3.768 1.00 0.00 O ATOM 291 CB VAL A 22 1.629 -0.224 -2.912 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.430 1.249 -2.586 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.332 -0.851 -3.399 1.00 0.00 C ATOM 0 H VAL A 22 2.223 -2.430 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 22 2.426 0.069 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 22 1.932 -0.736 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.641 1.353 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.358 1.663 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.148 1.787 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.442 -0.718 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.021 -0.370 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.487 -1.915 -3.577 1.00 0.00 H new ATOM 303 N LEU A 23 4.805 -0.457 -2.694 1.00 0.00 N ATOM 304 CA LEU A 23 6.050 0.074 -2.151 1.00 0.00 C ATOM 305 C LEU A 23 7.226 -0.252 -3.066 1.00 0.00 C ATOM 306 O LEU A 23 8.073 0.599 -3.334 1.00 0.00 O ATOM 307 CB LEU A 23 6.304 -0.496 -0.754 1.00 0.00 C ATOM 308 CG LEU A 23 5.165 -0.333 0.254 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.462 -1.113 1.525 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.938 1.138 0.569 1.00 0.00 C ATOM 0 H LEU A 23 4.609 -1.423 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 23 5.955 1.158 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.527 -1.558 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.195 -0.020 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 23 4.253 -0.734 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.641 -0.985 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.573 -2.170 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.385 -0.743 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.124 1.235 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.848 1.564 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.679 1.670 -0.346 1.00 0.00 H new ATOM 322 N GLY A 24 7.270 -1.492 -3.546 1.00 0.00 N ATOM 323 CA GLY A 24 8.345 -1.908 -4.428 1.00 0.00 C ATOM 324 C GLY A 24 9.149 -3.060 -3.859 1.00 0.00 C ATOM 325 O GLY A 24 10.370 -3.110 -4.012 1.00 0.00 O ATOM 0 H GLY A 24 6.581 -2.215 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.928 -2.201 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.008 -1.062 -4.612 1.00 0.00 H new ATOM 329 N LEU A 25 8.465 -3.988 -3.199 1.00 0.00 N ATOM 330 CA LEU A 25 9.123 -5.145 -2.603 1.00 0.00 C ATOM 331 C LEU A 25 8.571 -6.444 -3.181 1.00 0.00 C ATOM 332 O LEU A 25 7.725 -6.426 -4.077 1.00 0.00 O ATOM 333 CB LEU A 25 8.944 -5.132 -1.084 1.00 0.00 C ATOM 334 CG LEU A 25 9.477 -3.898 -0.356 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.077 -3.930 1.111 1.00 0.00 C ATOM 336 CD2 LEU A 25 10.989 -3.807 -0.496 1.00 0.00 C ATOM 0 H LEU A 25 7.454 -3.962 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 25 10.186 -5.088 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.881 -5.229 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.437 -6.013 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 25 9.036 -3.012 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.465 -3.044 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.990 -3.946 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.489 -4.823 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.350 -2.922 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.448 -4.697 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.253 -3.736 -1.551 1.00 0.00 H new ATOM 348 N ASP A 26 9.051 -7.568 -2.662 1.00 0.00 N ATOM 349 CA ASP A 26 8.603 -8.877 -3.124 1.00 0.00 C ATOM 350 C ASP A 26 7.606 -9.487 -2.144 1.00 0.00 C ATOM 351 O ASP A 26 7.471 -9.025 -1.011 1.00 0.00 O ATOM 352 CB ASP A 26 9.798 -9.814 -3.306 1.00 0.00 C ATOM 353 CG ASP A 26 10.814 -9.679 -2.189 1.00 0.00 C ATOM 354 OD1 ASP A 26 10.539 -10.170 -1.075 1.00 0.00 O ATOM 355 OD2 ASP A 26 11.885 -9.082 -2.430 1.00 0.00 O ATOM 0 H ASP A 26 9.751 -7.600 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 26 8.106 -8.745 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.445 -10.844 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.281 -9.602 -4.260 1.00 0.00 H new ATOM 360 N LYS A 27 6.909 -10.527 -2.588 1.00 0.00 N ATOM 361 CA LYS A 27 5.924 -11.202 -1.751 1.00 0.00 C ATOM 362 C LYS A 27 6.552 -11.668 -0.441 1.00 0.00 C ATOM 363 O LYS A 27 5.930 -11.589 0.618 1.00 0.00 O ATOM 364 CB LYS A 27 5.325 -12.398 -2.495 1.00 0.00 C ATOM 365 CG LYS A 27 4.594 -12.016 -3.770 1.00 0.00 C ATOM 366 CD LYS A 27 3.166 -11.582 -3.486 1.00 0.00 C ATOM 367 CE LYS A 27 2.582 -10.791 -4.646 1.00 0.00 C ATOM 368 NZ LYS A 27 2.190 -11.675 -5.778 1.00 0.00 N ATOM 0 H LYS A 27 7.008 -10.921 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 27 5.131 -10.491 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.122 -13.100 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.634 -12.919 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.129 -11.207 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.588 -12.864 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.549 -12.460 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.143 -10.974 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.711 -10.233 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.313 -10.060 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.796 -11.098 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.026 -12.189 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.474 -12.356 -5.455 1.00 0.00 H new ATOM 382 N ASN A 28 7.787 -12.152 -0.520 1.00 0.00 N ATOM 383 CA ASN A 28 8.498 -12.629 0.660 1.00 0.00 C ATOM 384 C ASN A 28 9.455 -11.564 1.186 1.00 0.00 C ATOM 385 O ASN A 28 10.559 -11.873 1.633 1.00 0.00 O ATOM 386 CB ASN A 28 9.272 -13.908 0.332 1.00 0.00 C ATOM 387 CG ASN A 28 8.403 -14.952 -0.344 1.00 0.00 C ATOM 388 OD1 ASN A 28 7.627 -15.647 0.310 1.00 0.00 O ATOM 389 ND2 ASN A 28 8.532 -15.065 -1.661 1.00 0.00 N ATOM 0 H ASN A 28 8.316 -12.224 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 28 7.762 -12.845 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.113 -13.664 -0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.687 -14.324 1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.974 -15.750 -2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.189 -14.467 -2.162 1.00 0.00 H new ATOM 396 N ALA A 29 9.022 -10.308 1.131 1.00 0.00 N ATOM 397 CA ALA A 29 9.839 -9.198 1.604 1.00 0.00 C ATOM 398 C ALA A 29 10.041 -9.269 3.114 1.00 0.00 C ATOM 399 O ALA A 29 9.251 -9.887 3.829 1.00 0.00 O ATOM 400 CB ALA A 29 9.201 -7.872 1.218 1.00 0.00 C ATOM 0 H ALA A 29 8.111 -10.035 0.764 1.00 0.00 H new ATOM 0 HA ALA A 29 10.817 -9.271 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.822 -7.051 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.113 -7.812 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.210 -7.801 1.666 1.00 0.00 H new ATOM 406 N THR A 30 11.106 -8.635 3.595 1.00 0.00 N ATOM 407 CA THR A 30 11.413 -8.628 5.019 1.00 0.00 C ATOM 408 C THR A 30 10.817 -7.404 5.705 1.00 0.00 C ATOM 409 O THR A 30 10.757 -6.322 5.122 1.00 0.00 O ATOM 410 CB THR A 30 12.933 -8.651 5.266 1.00 0.00 C ATOM 411 OG1 THR A 30 13.540 -7.488 4.691 1.00 0.00 O ATOM 412 CG2 THR A 30 13.560 -9.903 4.672 1.00 0.00 C ATOM 0 H THR A 30 11.771 -8.119 3.018 1.00 0.00 H new ATOM 0 HA THR A 30 10.970 -9.530 5.442 1.00 0.00 H new ATOM 0 HB THR A 30 13.104 -8.655 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.734 -7.654 3.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.634 -9.896 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.117 -10.786 5.133 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.379 -9.926 3.597 1.00 0.00 H new ATOM 420 N SER A 31 10.376 -7.583 6.946 1.00 0.00 N ATOM 421 CA SER A 31 9.781 -6.493 7.711 1.00 0.00 C ATOM 422 C SER A 31 10.651 -5.242 7.640 1.00 0.00 C ATOM 423 O SER A 31 10.145 -4.126 7.515 1.00 0.00 O ATOM 424 CB SER A 31 9.587 -6.911 9.169 1.00 0.00 C ATOM 425 OG SER A 31 10.797 -7.393 9.727 1.00 0.00 O ATOM 0 H SER A 31 10.419 -8.472 7.443 1.00 0.00 H new ATOM 0 HA SER A 31 8.809 -6.264 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.228 -6.061 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.821 -7.684 9.230 1.00 0.00 H new ATOM 0 HG SER A 31 10.647 -7.652 10.660 1.00 0.00 H new ATOM 431 N ASP A 32 11.963 -5.436 7.722 1.00 0.00 N ATOM 432 CA ASP A 32 12.905 -4.324 7.666 1.00 0.00 C ATOM 433 C ASP A 32 12.800 -3.589 6.334 1.00 0.00 C ATOM 434 O ASP A 32 12.873 -2.361 6.283 1.00 0.00 O ATOM 435 CB ASP A 32 14.334 -4.828 7.874 1.00 0.00 C ATOM 436 CG ASP A 32 14.733 -4.852 9.336 1.00 0.00 C ATOM 437 OD1 ASP A 32 14.337 -5.803 10.043 1.00 0.00 O ATOM 438 OD2 ASP A 32 15.441 -3.922 9.773 1.00 0.00 O ATOM 0 H ASP A 32 12.398 -6.353 7.827 1.00 0.00 H new ATOM 0 HA ASP A 32 12.654 -3.627 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.426 -5.832 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.025 -4.190 7.322 1.00 0.00 H new ATOM 443 N ASP A 33 12.630 -4.348 5.257 1.00 0.00 N ATOM 444 CA ASP A 33 12.515 -3.769 3.923 1.00 0.00 C ATOM 445 C ASP A 33 11.213 -2.987 3.781 1.00 0.00 C ATOM 446 O ASP A 33 11.153 -1.988 3.062 1.00 0.00 O ATOM 447 CB ASP A 33 12.585 -4.866 2.860 1.00 0.00 C ATOM 448 CG ASP A 33 13.979 -5.444 2.715 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.957 -4.683 2.876 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.092 -6.656 2.440 1.00 0.00 O ATOM 0 H ASP A 33 12.569 -5.366 5.281 1.00 0.00 H new ATOM 0 HA ASP A 33 13.348 -3.081 3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.889 -5.664 3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.262 -4.460 1.901 1.00 0.00 H new ATOM 455 N ILE A 34 10.174 -3.447 4.469 1.00 0.00 N ATOM 456 CA ILE A 34 8.874 -2.791 4.418 1.00 0.00 C ATOM 457 C ILE A 34 8.900 -1.461 5.164 1.00 0.00 C ATOM 458 O ILE A 34 8.259 -0.493 4.754 1.00 0.00 O ATOM 459 CB ILE A 34 7.770 -3.681 5.019 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.563 -4.927 4.154 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.471 -2.900 5.150 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.783 -6.021 4.849 1.00 0.00 C ATOM 0 H ILE A 34 10.207 -4.272 5.068 1.00 0.00 H new ATOM 0 HA ILE A 34 8.653 -2.611 3.366 1.00 0.00 H new ATOM 0 HB ILE A 34 8.082 -3.998 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.040 -4.643 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.536 -5.318 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.701 -3.543 5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.627 -2.040 5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.152 -2.556 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.674 -6.873 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.315 -6.333 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.797 -5.647 5.123 1.00 0.00 H new ATOM 474 N LYS A 35 9.647 -1.420 6.263 1.00 0.00 N ATOM 475 CA LYS A 35 9.761 -0.208 7.066 1.00 0.00 C ATOM 476 C LYS A 35 10.491 0.888 6.297 1.00 0.00 C ATOM 477 O LYS A 35 9.991 2.005 6.161 1.00 0.00 O ATOM 478 CB LYS A 35 10.497 -0.506 8.374 1.00 0.00 C ATOM 479 CG LYS A 35 9.584 -0.979 9.492 1.00 0.00 C ATOM 480 CD LYS A 35 10.377 -1.556 10.653 1.00 0.00 C ATOM 481 CE LYS A 35 9.512 -1.714 11.894 1.00 0.00 C ATOM 482 NZ LYS A 35 9.062 -0.399 12.428 1.00 0.00 N ATOM 0 H LYS A 35 10.182 -2.212 6.618 1.00 0.00 H new ATOM 0 HA LYS A 35 8.755 0.143 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.255 -1.267 8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.020 0.393 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.976 -0.145 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.898 -1.734 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.788 -2.525 10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.222 -0.905 10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.642 -2.326 11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.073 -2.245 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.794 -0.503 13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.835 0.292 12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.242 -0.065 11.883 1.00 0.00 H new ATOM 496 N LYS A 36 11.677 0.561 5.794 1.00 0.00 N ATOM 497 CA LYS A 36 12.476 1.517 5.036 1.00 0.00 C ATOM 498 C LYS A 36 11.699 2.044 3.834 1.00 0.00 C ATOM 499 O LYS A 36 11.613 3.253 3.620 1.00 0.00 O ATOM 500 CB LYS A 36 13.779 0.864 4.568 1.00 0.00 C ATOM 501 CG LYS A 36 13.575 -0.223 3.527 1.00 0.00 C ATOM 502 CD LYS A 36 14.887 -0.896 3.160 1.00 0.00 C ATOM 503 CE LYS A 36 15.592 -0.164 2.028 1.00 0.00 C ATOM 504 NZ LYS A 36 14.905 -0.368 0.723 1.00 0.00 N ATOM 0 H LYS A 36 12.106 -0.359 5.898 1.00 0.00 H new ATOM 0 HA LYS A 36 12.711 2.357 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.433 1.632 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.292 0.438 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.877 -0.968 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.123 0.208 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.537 -0.929 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.698 -1.928 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.633 0.901 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.622 -0.514 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.565 -0.805 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.083 -0.991 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.586 0.550 0.351 1.00 0.00 H new ATOM 518 N SER A 37 11.132 1.129 3.054 1.00 0.00 N ATOM 519 CA SER A 37 10.364 1.502 1.872 1.00 0.00 C ATOM 520 C SER A 37 9.392 2.634 2.192 1.00 0.00 C ATOM 521 O SER A 37 9.341 3.642 1.486 1.00 0.00 O ATOM 522 CB SER A 37 9.596 0.293 1.334 1.00 0.00 C ATOM 523 OG SER A 37 10.403 -0.474 0.457 1.00 0.00 O ATOM 0 H SER A 37 11.190 0.124 3.219 1.00 0.00 H new ATOM 0 HA SER A 37 11.062 1.849 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.263 -0.329 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.702 0.630 0.809 1.00 0.00 H new ATOM 0 HG SER A 37 9.890 -1.242 0.128 1.00 0.00 H new ATOM 529 N TYR A 38 8.622 2.461 3.260 1.00 0.00 N ATOM 530 CA TYR A 38 7.650 3.466 3.673 1.00 0.00 C ATOM 531 C TYR A 38 8.321 4.819 3.884 1.00 0.00 C ATOM 532 O TYR A 38 7.762 5.862 3.545 1.00 0.00 O ATOM 533 CB TYR A 38 6.946 3.027 4.958 1.00 0.00 C ATOM 534 CG TYR A 38 6.282 4.163 5.703 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.420 5.037 5.052 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.518 4.363 7.058 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.812 6.077 5.728 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.912 5.399 7.742 1.00 0.00 C ATOM 539 CZ TYR A 38 5.061 6.253 7.073 1.00 0.00 C ATOM 540 OH TYR A 38 4.457 7.288 7.751 1.00 0.00 O ATOM 0 H TYR A 38 8.652 1.634 3.856 1.00 0.00 H new ATOM 0 HA TYR A 38 6.911 3.568 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.195 2.276 4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.672 2.548 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.222 4.901 3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.186 3.698 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.146 6.748 5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.104 5.539 8.796 1.00 0.00 H new ATOM 0 HH TYR A 38 4.737 7.271 8.690 1.00 0.00 H new ATOM 550 N ARG A 39 9.525 4.794 4.447 1.00 0.00 N ATOM 551 CA ARG A 39 10.274 6.018 4.704 1.00 0.00 C ATOM 552 C ARG A 39 10.805 6.614 3.404 1.00 0.00 C ATOM 553 O ARG A 39 10.389 7.696 2.989 1.00 0.00 O ATOM 554 CB ARG A 39 11.434 5.739 5.662 1.00 0.00 C ATOM 555 CG ARG A 39 11.022 4.985 6.915 1.00 0.00 C ATOM 556 CD ARG A 39 12.232 4.556 7.731 1.00 0.00 C ATOM 557 NE ARG A 39 12.649 5.590 8.675 1.00 0.00 N ATOM 558 CZ ARG A 39 11.896 6.009 9.686 1.00 0.00 C ATOM 559 NH1 ARG A 39 10.694 5.486 9.883 1.00 0.00 N ATOM 560 NH2 ARG A 39 12.346 6.953 10.502 1.00 0.00 N ATOM 0 H ARG A 39 10.002 3.939 4.734 1.00 0.00 H new ATOM 0 HA ARG A 39 9.598 6.739 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.197 5.164 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.890 6.686 5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.376 5.616 7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.439 4.107 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.997 3.642 8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.058 4.323 7.059 1.00 0.00 H new ATOM 0 HE ARG A 39 13.569 6.013 8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.345 4.760 9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.118 5.810 10.660 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.270 7.357 10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.768 7.274 11.278 1.00 0.00 H new ATOM 574 N LYS A 40 11.727 5.901 2.766 1.00 0.00 N ATOM 575 CA LYS A 40 12.316 6.358 1.512 1.00 0.00 C ATOM 576 C LYS A 40 11.248 6.936 0.589 1.00 0.00 C ATOM 577 O LYS A 40 11.439 7.994 -0.011 1.00 0.00 O ATOM 578 CB LYS A 40 13.039 5.204 0.814 1.00 0.00 C ATOM 579 CG LYS A 40 12.150 4.001 0.548 1.00 0.00 C ATOM 580 CD LYS A 40 12.952 2.820 0.028 1.00 0.00 C ATOM 581 CE LYS A 40 14.039 3.266 -0.938 1.00 0.00 C ATOM 582 NZ LYS A 40 13.473 3.958 -2.129 1.00 0.00 N ATOM 0 H LYS A 40 12.083 5.004 3.097 1.00 0.00 H new ATOM 0 HA LYS A 40 13.036 7.143 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.446 5.561 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.884 4.892 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.636 3.717 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.382 4.268 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.404 2.289 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.285 2.118 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.730 3.934 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.615 2.399 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.834 3.510 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.435 3.889 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.754 4.959 -2.115 1.00 0.00 H new ATOM 596 N LEU A 41 10.125 6.235 0.480 1.00 0.00 N ATOM 597 CA LEU A 41 9.026 6.679 -0.370 1.00 0.00 C ATOM 598 C LEU A 41 8.380 7.943 0.191 1.00 0.00 C ATOM 599 O LEU A 41 7.842 8.760 -0.555 1.00 0.00 O ATOM 600 CB LEU A 41 7.978 5.573 -0.502 1.00 0.00 C ATOM 601 CG LEU A 41 8.460 4.263 -1.127 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.469 3.143 -0.849 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.671 4.432 -2.624 1.00 0.00 C ATOM 0 H LEU A 41 9.952 5.357 0.969 1.00 0.00 H new ATOM 0 HA LEU A 41 9.431 6.907 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.582 5.355 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.150 5.954 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 41 9.415 3.996 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.828 2.219 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.368 3.005 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.499 3.402 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.014 3.490 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.731 4.723 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.419 5.205 -2.801 1.00 0.00 H new ATOM 615 N ALA A 42 8.440 8.096 1.509 1.00 0.00 N ATOM 616 CA ALA A 42 7.865 9.262 2.170 1.00 0.00 C ATOM 617 C ALA A 42 8.704 10.509 1.910 1.00 0.00 C ATOM 618 O ALA A 42 8.321 11.617 2.288 1.00 0.00 O ATOM 619 CB ALA A 42 7.737 9.011 3.665 1.00 0.00 C ATOM 0 H ALA A 42 8.881 7.428 2.141 1.00 0.00 H new ATOM 0 HA ALA A 42 6.871 9.432 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.306 9.889 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.090 8.150 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.723 8.813 4.086 1.00 0.00 H new ATOM 625 N LEU A 43 9.849 10.322 1.264 1.00 0.00 N ATOM 626 CA LEU A 43 10.743 11.432 0.954 1.00 0.00 C ATOM 627 C LEU A 43 10.342 12.105 -0.355 1.00 0.00 C ATOM 628 O LEU A 43 10.672 13.267 -0.596 1.00 0.00 O ATOM 629 CB LEU A 43 12.188 10.940 0.865 1.00 0.00 C ATOM 630 CG LEU A 43 12.843 10.540 2.188 1.00 0.00 C ATOM 631 CD1 LEU A 43 14.343 10.785 2.136 1.00 0.00 C ATOM 632 CD2 LEU A 43 12.216 11.302 3.346 1.00 0.00 C ATOM 0 H LEU A 43 10.181 9.412 0.944 1.00 0.00 H new ATOM 0 HA LEU A 43 10.664 12.164 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.218 10.082 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.790 11.724 0.407 1.00 0.00 H new ATOM 0 HG LEU A 43 12.675 9.475 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.792 10.495 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.781 10.194 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.533 11.843 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.695 11.004 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.353 12.373 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.151 11.076 3.396 1.00 0.00 H new ATOM 644 N LYS A 44 9.625 11.369 -1.197 1.00 0.00 N ATOM 645 CA LYS A 44 9.175 11.894 -2.481 1.00 0.00 C ATOM 646 C LYS A 44 7.683 12.212 -2.446 1.00 0.00 C ATOM 647 O LYS A 44 7.210 13.097 -3.159 1.00 0.00 O ATOM 648 CB LYS A 44 9.466 10.889 -3.597 1.00 0.00 C ATOM 649 CG LYS A 44 8.438 9.776 -3.697 1.00 0.00 C ATOM 650 CD LYS A 44 8.882 8.536 -2.940 1.00 0.00 C ATOM 651 CE LYS A 44 9.719 7.617 -3.816 1.00 0.00 C ATOM 652 NZ LYS A 44 8.890 6.915 -4.834 1.00 0.00 N ATOM 0 H LYS A 44 9.343 10.406 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 44 9.721 12.816 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.510 11.418 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.450 10.450 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.484 10.124 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.274 9.524 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.460 8.831 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.007 7.997 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.493 8.198 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.226 6.882 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.703 5.942 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.989 7.419 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.399 6.893 -5.741 1.00 0.00 H new ATOM 666 N TYR A 45 6.948 11.486 -1.611 1.00 0.00 N ATOM 667 CA TYR A 45 5.510 11.691 -1.483 1.00 0.00 C ATOM 668 C TYR A 45 5.166 12.318 -0.136 1.00 0.00 C ATOM 669 O TYR A 45 4.020 12.264 0.313 1.00 0.00 O ATOM 670 CB TYR A 45 4.769 10.362 -1.644 1.00 0.00 C ATOM 671 CG TYR A 45 5.057 9.663 -2.953 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.635 10.204 -4.161 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.753 8.460 -2.982 1.00 0.00 C ATOM 674 CE1 TYR A 45 4.896 9.568 -5.359 1.00 0.00 C ATOM 675 CE2 TYR A 45 6.020 7.818 -4.176 1.00 0.00 C ATOM 676 CZ TYR A 45 5.589 8.375 -5.361 1.00 0.00 C ATOM 677 OH TYR A 45 5.852 7.739 -6.553 1.00 0.00 O ATOM 0 H TYR A 45 7.324 10.750 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 45 5.194 12.374 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.042 9.701 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.697 10.542 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.093 11.138 -4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.091 8.020 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.560 10.002 -6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.563 6.885 -4.181 1.00 0.00 H new ATOM 0 HH TYR A 45 6.349 6.912 -6.380 1.00 0.00 H new ATOM 687 N HIS A 46 6.167 12.912 0.506 1.00 0.00 N ATOM 688 CA HIS A 46 5.972 13.551 1.802 1.00 0.00 C ATOM 689 C HIS A 46 4.818 14.548 1.749 1.00 0.00 C ATOM 690 O HIS A 46 4.655 15.294 0.783 1.00 0.00 O ATOM 691 CB HIS A 46 7.253 14.260 2.243 1.00 0.00 C ATOM 692 CG HIS A 46 7.432 14.304 3.730 1.00 0.00 C ATOM 693 ND1 HIS A 46 6.849 15.265 4.529 1.00 0.00 N ATOM 694 CD2 HIS A 46 8.131 13.498 4.562 1.00 0.00 C ATOM 695 CE1 HIS A 46 7.185 15.049 5.788 1.00 0.00 C ATOM 696 NE2 HIS A 46 7.962 13.982 5.836 1.00 0.00 N ATOM 0 H HIS A 46 7.121 12.964 0.150 1.00 0.00 H new ATOM 0 HA HIS A 46 5.726 12.776 2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.110 13.755 1.797 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.246 15.279 1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.714 12.634 4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.877 15.644 6.635 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.370 13.583 6.681 1.00 0.00 H new ATOM 704 N PRO A 47 3.997 14.562 2.809 1.00 0.00 N ATOM 705 CA PRO A 47 2.844 15.462 2.906 1.00 0.00 C ATOM 706 C PRO A 47 3.259 16.918 3.085 1.00 0.00 C ATOM 707 O PRO A 47 2.516 17.833 2.731 1.00 0.00 O ATOM 708 CB PRO A 47 2.106 14.959 4.150 1.00 0.00 C ATOM 709 CG PRO A 47 3.156 14.297 4.972 1.00 0.00 C ATOM 710 CD PRO A 47 4.132 13.700 3.996 1.00 0.00 C ATOM 0 HA PRO A 47 2.239 15.449 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.639 15.781 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.313 14.260 3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.649 15.015 5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.723 13.527 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.149 13.711 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.889 12.662 3.769 1.00 0.00 H new ATOM 718 N ASP A 48 4.449 17.126 3.636 1.00 0.00 N ATOM 719 CA ASP A 48 4.964 18.472 3.861 1.00 0.00 C ATOM 720 C ASP A 48 5.583 19.036 2.586 1.00 0.00 C ATOM 721 O ASP A 48 5.414 20.214 2.270 1.00 0.00 O ATOM 722 CB ASP A 48 6.000 18.464 4.986 1.00 0.00 C ATOM 723 CG ASP A 48 6.686 19.805 5.151 1.00 0.00 C ATOM 724 OD1 ASP A 48 5.987 20.839 5.100 1.00 0.00 O ATOM 725 OD2 ASP A 48 7.921 19.822 5.332 1.00 0.00 O ATOM 0 H ASP A 48 5.076 16.379 3.936 1.00 0.00 H new ATOM 0 HA ASP A 48 4.130 19.110 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.513 18.191 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.749 17.699 4.781 1.00 0.00 H new ATOM 730 N LYS A 49 6.302 18.189 1.858 1.00 0.00 N ATOM 731 CA LYS A 49 6.947 18.602 0.617 1.00 0.00 C ATOM 732 C LYS A 49 5.910 18.964 -0.441 1.00 0.00 C ATOM 733 O LYS A 49 6.115 19.878 -1.237 1.00 0.00 O ATOM 734 CB LYS A 49 7.856 17.487 0.095 1.00 0.00 C ATOM 735 CG LYS A 49 9.007 17.154 1.028 1.00 0.00 C ATOM 736 CD LYS A 49 10.233 17.999 0.725 1.00 0.00 C ATOM 737 CE LYS A 49 10.040 19.440 1.171 1.00 0.00 C ATOM 738 NZ LYS A 49 11.340 20.142 1.357 1.00 0.00 N ATOM 0 H LYS A 49 6.453 17.211 2.106 1.00 0.00 H new ATOM 0 HA LYS A 49 7.550 19.486 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.259 16.589 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.258 17.782 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.698 17.317 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.259 16.098 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.102 17.575 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.439 17.973 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.443 19.972 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.480 19.459 2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.165 21.121 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.900 19.649 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.864 20.147 0.458 1.00 0.00 H new ATOM 752 N ASN A 50 4.795 18.240 -0.442 1.00 0.00 N ATOM 753 CA ASN A 50 3.725 18.486 -1.402 1.00 0.00 C ATOM 754 C ASN A 50 2.525 19.140 -0.723 1.00 0.00 C ATOM 755 O ASN A 50 1.560 18.477 -0.340 1.00 0.00 O ATOM 756 CB ASN A 50 3.298 17.177 -2.068 1.00 0.00 C ATOM 757 CG ASN A 50 4.443 16.498 -2.794 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.453 16.418 -4.023 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.414 16.004 -2.036 1.00 0.00 N ATOM 0 H ASN A 50 4.609 17.479 0.211 1.00 0.00 H new ATOM 0 HA ASN A 50 4.104 19.167 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.899 16.501 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.492 17.378 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.210 15.535 -2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.364 16.093 -1.021 1.00 0.00 H new ATOM 766 N PRO A 51 2.583 20.471 -0.570 1.00 0.00 N ATOM 767 CA PRO A 51 1.510 21.244 0.061 1.00 0.00 C ATOM 768 C PRO A 51 0.252 21.299 -0.800 1.00 0.00 C ATOM 769 O PRO A 51 0.279 21.806 -1.922 1.00 0.00 O ATOM 770 CB PRO A 51 2.118 22.640 0.211 1.00 0.00 C ATOM 771 CG PRO A 51 3.155 22.717 -0.856 1.00 0.00 C ATOM 772 CD PRO A 51 3.703 21.325 -1.003 1.00 0.00 C ATOM 0 HA PRO A 51 1.189 20.801 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.363 23.416 0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.556 22.777 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.724 23.068 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.943 23.420 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.995 21.114 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.587 21.173 -0.384 1.00 0.00 H new ATOM 780 N ASP A 52 -0.847 20.777 -0.268 1.00 0.00 N ATOM 781 CA ASP A 52 -2.115 20.769 -0.987 1.00 0.00 C ATOM 782 C ASP A 52 -1.922 20.294 -2.424 1.00 0.00 C ATOM 783 O ASP A 52 -2.381 20.936 -3.367 1.00 0.00 O ATOM 784 CB ASP A 52 -2.740 22.165 -0.978 1.00 0.00 C ATOM 785 CG ASP A 52 -1.839 23.207 -1.611 1.00 0.00 C ATOM 786 OD1 ASP A 52 -0.891 23.659 -0.936 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.082 23.570 -2.781 1.00 0.00 O ATOM 0 H ASP A 52 -0.885 20.354 0.659 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.787 20.075 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.690 22.138 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.960 22.455 0.050 1.00 0.00 H new ATOM 792 N ASN A 53 -1.239 19.165 -2.582 1.00 0.00 N ATOM 793 CA ASN A 53 -0.983 18.604 -3.904 1.00 0.00 C ATOM 794 C ASN A 53 -1.758 17.305 -4.103 1.00 0.00 C ATOM 795 O ASN A 53 -1.711 16.392 -3.278 1.00 0.00 O ATOM 796 CB ASN A 53 0.514 18.353 -4.093 1.00 0.00 C ATOM 797 CG ASN A 53 0.947 18.499 -5.539 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.435 19.348 -6.269 1.00 0.00 O ATOM 799 ND2 ASN A 53 1.894 17.669 -5.960 1.00 0.00 N ATOM 0 H ASN A 53 -0.853 18.620 -1.811 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.320 19.325 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.078 19.052 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.758 17.350 -3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.225 17.720 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.290 16.981 -5.320 1.00 0.00 H new ATOM 806 N PRO A 54 -2.489 17.218 -5.224 1.00 0.00 N ATOM 807 CA PRO A 54 -3.287 16.035 -5.559 1.00 0.00 C ATOM 808 C PRO A 54 -2.420 14.832 -5.915 1.00 0.00 C ATOM 809 O PRO A 54 -2.603 13.743 -5.373 1.00 0.00 O ATOM 810 CB PRO A 54 -4.098 16.487 -6.776 1.00 0.00 C ATOM 811 CG PRO A 54 -3.285 17.573 -7.391 1.00 0.00 C ATOM 812 CD PRO A 54 -2.592 18.268 -6.252 1.00 0.00 C ATOM 0 HA PRO A 54 -3.899 15.706 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.254 15.665 -7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.084 16.848 -6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.562 17.166 -8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.917 18.267 -7.945 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.611 18.640 -6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.164 19.124 -5.896 1.00 0.00 H new ATOM 820 N GLU A 55 -1.475 15.038 -6.827 1.00 0.00 N ATOM 821 CA GLU A 55 -0.580 13.969 -7.254 1.00 0.00 C ATOM 822 C GLU A 55 0.085 13.304 -6.052 1.00 0.00 C ATOM 823 O GLU A 55 0.196 12.080 -5.990 1.00 0.00 O ATOM 824 CB GLU A 55 0.488 14.517 -8.203 1.00 0.00 C ATOM 825 CG GLU A 55 1.332 15.624 -7.596 1.00 0.00 C ATOM 826 CD GLU A 55 2.534 15.977 -8.450 1.00 0.00 C ATOM 827 OE1 GLU A 55 3.339 15.070 -8.747 1.00 0.00 O ATOM 828 OE2 GLU A 55 2.669 17.161 -8.823 1.00 0.00 O ATOM 0 H GLU A 55 -1.310 15.935 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.173 13.221 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.142 13.701 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.003 14.894 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.715 16.512 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.672 15.316 -6.607 1.00 0.00 H new ATOM 835 N ALA A 56 0.525 14.120 -5.100 1.00 0.00 N ATOM 836 CA ALA A 56 1.177 13.612 -3.900 1.00 0.00 C ATOM 837 C ALA A 56 0.172 12.938 -2.972 1.00 0.00 C ATOM 838 O ALA A 56 0.451 11.885 -2.399 1.00 0.00 O ATOM 839 CB ALA A 56 1.896 14.738 -3.173 1.00 0.00 C ATOM 0 H ALA A 56 0.442 15.136 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 56 1.910 12.864 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.378 14.344 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.649 15.173 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.176 15.506 -2.889 1.00 0.00 H new ATOM 845 N ALA A 57 -0.998 13.552 -2.829 1.00 0.00 N ATOM 846 CA ALA A 57 -2.045 13.010 -1.972 1.00 0.00 C ATOM 847 C ALA A 57 -2.362 11.565 -2.339 1.00 0.00 C ATOM 848 O ALA A 57 -2.343 10.678 -1.485 1.00 0.00 O ATOM 849 CB ALA A 57 -3.299 13.867 -2.064 1.00 0.00 C ATOM 0 H ALA A 57 -1.244 14.425 -3.296 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.682 13.025 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.073 13.450 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.069 14.884 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.655 13.882 -3.094 1.00 0.00 H new ATOM 855 N ASP A 58 -2.654 11.333 -3.614 1.00 0.00 N ATOM 856 CA ASP A 58 -2.975 9.995 -4.095 1.00 0.00 C ATOM 857 C ASP A 58 -1.882 9.003 -3.710 1.00 0.00 C ATOM 858 O ASP A 58 -2.108 8.091 -2.914 1.00 0.00 O ATOM 859 CB ASP A 58 -3.161 10.005 -5.613 1.00 0.00 C ATOM 860 CG ASP A 58 -3.988 8.833 -6.103 1.00 0.00 C ATOM 861 OD1 ASP A 58 -5.192 8.779 -5.776 1.00 0.00 O ATOM 862 OD2 ASP A 58 -3.432 7.972 -6.815 1.00 0.00 O ATOM 0 H ASP A 58 -2.675 12.055 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.907 9.681 -3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.643 10.936 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.184 9.984 -6.096 1.00 0.00 H new ATOM 867 N LYS A 59 -0.696 9.186 -4.281 1.00 0.00 N ATOM 868 CA LYS A 59 0.433 8.308 -3.999 1.00 0.00 C ATOM 869 C LYS A 59 0.565 8.055 -2.501 1.00 0.00 C ATOM 870 O LYS A 59 0.407 6.926 -2.036 1.00 0.00 O ATOM 871 CB LYS A 59 1.728 8.920 -4.540 1.00 0.00 C ATOM 872 CG LYS A 59 1.828 8.892 -6.055 1.00 0.00 C ATOM 873 CD LYS A 59 2.156 7.499 -6.567 1.00 0.00 C ATOM 874 CE LYS A 59 1.967 7.400 -8.073 1.00 0.00 C ATOM 875 NZ LYS A 59 1.963 5.986 -8.540 1.00 0.00 N ATOM 0 H LYS A 59 -0.492 9.935 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 59 0.253 7.355 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.802 9.952 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.578 8.383 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.886 9.228 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.597 9.591 -6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.186 7.249 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.518 6.768 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.028 7.878 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.765 7.946 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.832 5.961 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.869 5.537 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.186 5.471 -8.080 1.00 0.00 H new ATOM 889 N PHE A 60 0.853 9.113 -1.750 1.00 0.00 N ATOM 890 CA PHE A 60 1.005 9.005 -0.304 1.00 0.00 C ATOM 891 C PHE A 60 -0.156 8.226 0.309 1.00 0.00 C ATOM 892 O PHE A 60 0.045 7.341 1.140 1.00 0.00 O ATOM 893 CB PHE A 60 1.088 10.396 0.327 1.00 0.00 C ATOM 894 CG PHE A 60 1.581 10.383 1.746 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.751 9.721 2.081 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.875 11.033 2.745 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.206 9.706 3.385 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.325 11.022 4.051 1.00 0.00 C ATOM 899 CZ PHE A 60 2.493 10.359 4.372 1.00 0.00 C ATOM 0 H PHE A 60 0.986 10.055 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 60 1.930 8.465 -0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.750 11.019 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.102 10.859 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.314 9.211 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.038 11.555 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.118 9.184 3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.764 11.531 4.820 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.848 10.351 5.392 1.00 0.00 H new ATOM 909 N LYS A 61 -1.372 8.562 -0.109 1.00 0.00 N ATOM 910 CA LYS A 61 -2.566 7.895 0.396 1.00 0.00 C ATOM 911 C LYS A 61 -2.465 6.384 0.210 1.00 0.00 C ATOM 912 O LYS A 61 -3.001 5.615 1.008 1.00 0.00 O ATOM 913 CB LYS A 61 -3.811 8.426 -0.317 1.00 0.00 C ATOM 914 CG LYS A 61 -5.094 7.723 0.094 1.00 0.00 C ATOM 915 CD LYS A 61 -5.385 6.528 -0.797 1.00 0.00 C ATOM 916 CE LYS A 61 -6.236 6.921 -1.996 1.00 0.00 C ATOM 917 NZ LYS A 61 -7.050 5.779 -2.496 1.00 0.00 N ATOM 0 H LYS A 61 -1.556 9.293 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.647 8.107 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.909 9.492 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.677 8.319 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.014 7.394 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.926 8.425 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.447 6.093 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.900 5.759 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.896 7.744 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.591 7.285 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.510 6.046 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.433 4.957 -2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.776 5.536 -1.792 1.00 0.00 H new ATOM 931 N GLU A 62 -1.775 5.967 -0.847 1.00 0.00 N ATOM 932 CA GLU A 62 -1.605 4.548 -1.136 1.00 0.00 C ATOM 933 C GLU A 62 -0.509 3.943 -0.263 1.00 0.00 C ATOM 934 O GLU A 62 -0.590 2.781 0.136 1.00 0.00 O ATOM 935 CB GLU A 62 -1.267 4.343 -2.614 1.00 0.00 C ATOM 936 CG GLU A 62 -2.488 4.144 -3.496 1.00 0.00 C ATOM 937 CD GLU A 62 -3.663 5.001 -3.066 1.00 0.00 C ATOM 938 OE1 GLU A 62 -3.591 6.236 -3.240 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.654 4.438 -2.557 1.00 0.00 O ATOM 0 H GLU A 62 -1.325 6.591 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.544 4.042 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.707 5.206 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.614 3.476 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.229 4.381 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.781 3.094 -3.473 1.00 0.00 H new ATOM 946 N ILE A 63 0.515 4.739 0.028 1.00 0.00 N ATOM 947 CA ILE A 63 1.626 4.283 0.853 1.00 0.00 C ATOM 948 C ILE A 63 1.193 4.093 2.302 1.00 0.00 C ATOM 949 O ILE A 63 1.192 2.977 2.819 1.00 0.00 O ATOM 950 CB ILE A 63 2.805 5.272 0.806 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.099 5.682 -0.638 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.039 4.657 1.449 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.208 6.703 -0.763 1.00 0.00 C ATOM 0 H ILE A 63 0.598 5.703 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 63 1.950 3.325 0.445 1.00 0.00 H new ATOM 0 HB ILE A 63 2.533 6.165 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.367 4.795 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.191 6.088 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.864 5.369 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.823 4.411 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.315 3.750 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.362 6.946 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.934 7.606 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.128 6.293 -0.347 1.00 0.00 H new ATOM 965 N ASN A 64 0.824 5.192 2.953 1.00 0.00 N ATOM 966 CA ASN A 64 0.387 5.146 4.343 1.00 0.00 C ATOM 967 C ASN A 64 -0.407 3.874 4.623 1.00 0.00 C ATOM 968 O ASN A 64 -0.242 3.245 5.667 1.00 0.00 O ATOM 969 CB ASN A 64 -0.464 6.374 4.672 1.00 0.00 C ATOM 970 CG ASN A 64 -1.933 6.161 4.360 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.554 5.221 4.856 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.494 7.034 3.532 1.00 0.00 N ATOM 0 H ASN A 64 0.819 6.125 2.540 1.00 0.00 H new ATOM 0 HA ASN A 64 1.274 5.146 4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.352 6.618 5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.096 7.230 4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.479 6.941 3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.940 7.798 3.145 1.00 0.00 H new ATOM 979 N ASN A 65 -1.268 3.501 3.681 1.00 0.00 N ATOM 980 CA ASN A 65 -2.087 2.303 3.826 1.00 0.00 C ATOM 981 C ASN A 65 -1.266 1.046 3.555 1.00 0.00 C ATOM 982 O ASN A 65 -1.391 0.047 4.261 1.00 0.00 O ATOM 983 CB ASN A 65 -3.283 2.361 2.874 1.00 0.00 C ATOM 984 CG ASN A 65 -2.979 1.736 1.526 1.00 0.00 C ATOM 985 OD1 ASN A 65 -2.770 0.424 1.516 1.00 0.00 O flip ATOM 986 ND2 ASN A 65 -2.934 2.424 0.506 1.00 0.00 N flip ATOM 0 H ASN A 65 -1.416 4.011 2.810 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.450 2.263 4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.130 1.846 3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.580 3.400 2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.101 3.429 0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.730 1.989 -0.394 1.00 0.00 H new ATOM 993 N ALA A 66 -0.426 1.105 2.527 1.00 0.00 N ATOM 994 CA ALA A 66 0.417 -0.027 2.163 1.00 0.00 C ATOM 995 C ALA A 66 1.374 -0.384 3.296 1.00 0.00 C ATOM 996 O ALA A 66 1.741 -1.547 3.468 1.00 0.00 O ATOM 997 CB ALA A 66 1.193 0.280 0.891 1.00 0.00 C ATOM 0 H ALA A 66 -0.311 1.925 1.931 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.229 -0.887 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.818 -0.574 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.495 0.479 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.823 1.155 1.051 1.00 0.00 H new ATOM 1003 N HIS A 67 1.775 0.623 4.065 1.00 0.00 N ATOM 1004 CA HIS A 67 2.690 0.414 5.182 1.00 0.00 C ATOM 1005 C HIS A 67 1.921 0.160 6.474 1.00 0.00 C ATOM 1006 O HIS A 67 2.337 -0.644 7.308 1.00 0.00 O ATOM 1007 CB HIS A 67 3.607 1.626 5.350 1.00 0.00 C ATOM 1008 CG HIS A 67 4.408 1.600 6.615 1.00 0.00 C ATOM 1009 ND1 HIS A 67 4.085 2.350 7.726 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.523 0.906 6.943 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.968 2.121 8.682 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.851 1.248 8.232 1.00 0.00 N ATOM 0 H HIS A 67 1.481 1.591 3.936 1.00 0.00 H new ATOM 0 HA HIS A 67 3.297 -0.464 4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.287 1.677 4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.003 2.533 5.330 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.055 0.212 6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.968 2.571 9.664 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.647 0.886 8.757 1.00 0.00 H new ATOM 1020 N ALA A 68 0.797 0.852 6.634 1.00 0.00 N ATOM 1021 CA ALA A 68 -0.030 0.700 7.825 1.00 0.00 C ATOM 1022 C ALA A 68 -0.574 -0.720 7.938 1.00 0.00 C ATOM 1023 O ALA A 68 -0.585 -1.306 9.020 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.172 1.705 7.805 1.00 0.00 C ATOM 0 H ALA A 68 0.439 1.523 5.954 1.00 0.00 H new ATOM 0 HA ALA A 68 0.594 0.892 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.782 1.581 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.766 2.716 7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.787 1.539 6.921 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.025 -1.267 6.814 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.571 -2.618 6.787 1.00 0.00 C ATOM 1032 C ILE A 69 -0.475 -3.657 7.000 1.00 0.00 C ATOM 1033 O ILE A 69 -0.597 -4.539 7.851 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.288 -2.910 5.456 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.439 -1.924 5.245 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.799 -4.343 5.433 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -3.970 -1.910 3.829 1.00 0.00 C ATOM 0 H ILE A 69 -1.023 -0.795 5.910 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.294 -2.683 7.600 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.575 -2.786 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.252 -2.175 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.101 -0.922 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.303 -4.534 4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.960 -5.030 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.500 -4.493 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.784 -1.189 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.171 -1.629 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.339 -2.902 3.569 1.00 0.00 H new ATOM 1049 N LEU A 70 0.597 -3.546 6.223 1.00 0.00 N ATOM 1050 CA LEU A 70 1.717 -4.475 6.326 1.00 0.00 C ATOM 1051 C LEU A 70 2.281 -4.491 7.743 1.00 0.00 C ATOM 1052 O LEU A 70 2.342 -5.538 8.388 1.00 0.00 O ATOM 1053 CB LEU A 70 2.814 -4.094 5.332 1.00 0.00 C ATOM 1054 CG LEU A 70 2.488 -4.315 3.854 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.578 -3.726 2.973 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.307 -5.798 3.564 1.00 0.00 C ATOM 0 H LEU A 70 0.714 -2.822 5.515 1.00 0.00 H new ATOM 0 HA LEU A 70 1.352 -5.474 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.057 -3.041 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.710 -4.665 5.575 1.00 0.00 H new ATOM 0 HG LEU A 70 1.552 -3.804 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.329 -3.893 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.659 -2.655 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.529 -4.207 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.076 -5.937 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.226 -6.331 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.489 -6.190 4.169 1.00 0.00 H new ATOM 1068 N THR A 71 2.693 -3.322 8.224 1.00 0.00 N ATOM 1069 CA THR A 71 3.251 -3.200 9.565 1.00 0.00 C ATOM 1070 C THR A 71 2.436 -4.000 10.574 1.00 0.00 C ATOM 1071 O THR A 71 2.981 -4.805 11.329 1.00 0.00 O ATOM 1072 CB THR A 71 3.310 -1.729 10.018 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.075 -1.072 9.710 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.461 -1.000 9.342 1.00 0.00 C ATOM 0 H THR A 71 2.651 -2.446 7.704 1.00 0.00 H new ATOM 0 HA THR A 71 4.264 -3.599 9.523 1.00 0.00 H new ATOM 0 HB THR A 71 3.472 -1.710 11.096 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.203 -0.480 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.482 0.037 9.678 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.402 -1.485 9.602 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.325 -1.029 8.261 1.00 0.00 H new ATOM 1082 N ASP A 72 1.127 -3.773 10.583 1.00 0.00 N ATOM 1083 CA ASP A 72 0.235 -4.474 11.499 1.00 0.00 C ATOM 1084 C ASP A 72 0.163 -5.959 11.158 1.00 0.00 C ATOM 1085 O ASP A 72 0.177 -6.338 9.987 1.00 0.00 O ATOM 1086 CB ASP A 72 -1.164 -3.858 11.454 1.00 0.00 C ATOM 1087 CG ASP A 72 -2.030 -4.304 12.616 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -1.583 -4.172 13.774 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -3.156 -4.785 12.367 1.00 0.00 O ATOM 0 H ASP A 72 0.660 -3.109 9.966 1.00 0.00 H new ATOM 0 HA ASP A 72 0.636 -4.371 12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.080 -2.771 11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.649 -4.132 10.517 1.00 0.00 H new ATOM 1094 N ALA A 73 0.086 -6.795 12.188 1.00 0.00 N ATOM 1095 CA ALA A 73 0.011 -8.238 11.997 1.00 0.00 C ATOM 1096 C ALA A 73 -1.390 -8.663 11.571 1.00 0.00 C ATOM 1097 O ALA A 73 -1.577 -9.238 10.498 1.00 0.00 O ATOM 1098 CB ALA A 73 0.419 -8.961 13.272 1.00 0.00 C ATOM 0 H ALA A 73 0.074 -6.498 13.164 1.00 0.00 H new ATOM 0 HA ALA A 73 0.703 -8.511 11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.358 -10.038 13.115 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.442 -8.689 13.533 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.251 -8.674 14.083 1.00 0.00 H new ATOM 1104 N THR A 74 -2.374 -8.376 12.418 1.00 0.00 N ATOM 1105 CA THR A 74 -3.758 -8.730 12.130 1.00 0.00 C ATOM 1106 C THR A 74 -4.116 -8.415 10.682 1.00 0.00 C ATOM 1107 O THR A 74 -4.501 -9.301 9.919 1.00 0.00 O ATOM 1108 CB THR A 74 -4.734 -7.987 13.062 1.00 0.00 C ATOM 1109 OG1 THR A 74 -4.224 -7.979 14.400 1.00 0.00 O ATOM 1110 CG2 THR A 74 -6.107 -8.641 13.041 1.00 0.00 C ATOM 0 H THR A 74 -2.238 -7.899 13.309 1.00 0.00 H new ATOM 0 HA THR A 74 -3.852 -9.803 12.299 1.00 0.00 H new ATOM 0 HB THR A 74 -4.832 -6.962 12.705 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.849 -7.503 14.986 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.779 -8.099 13.707 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.505 -8.618 12.027 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.023 -9.675 13.375 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.987 -7.146 10.308 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.295 -6.713 8.950 1.00 0.00 C ATOM 1120 C LYS A 75 -3.493 -7.513 7.929 1.00 0.00 C ATOM 1121 O LYS A 75 -4.057 -8.111 7.013 1.00 0.00 O ATOM 1122 CB LYS A 75 -4.000 -5.220 8.790 1.00 0.00 C ATOM 1123 CG LYS A 75 -5.000 -4.323 9.500 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.155 -2.989 8.789 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.253 -3.043 7.737 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.603 -3.175 8.350 1.00 0.00 N ATOM 0 H LYS A 75 -3.671 -6.399 10.927 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.356 -6.889 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.001 -5.012 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.991 -4.972 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.967 -4.824 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.674 -4.154 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.385 -2.212 9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.211 -2.715 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.217 -2.139 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.074 -3.885 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.322 -2.827 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.789 -4.175 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.643 -2.616 9.226 1.00 0.00 H new ATOM 1140 N ARG A 76 -2.174 -7.519 8.093 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.294 -8.246 7.185 1.00 0.00 C ATOM 1142 C ARG A 76 -1.846 -9.638 6.892 1.00 0.00 C ATOM 1143 O ARG A 76 -2.169 -9.960 5.750 1.00 0.00 O ATOM 1144 CB ARG A 76 0.110 -8.357 7.782 1.00 0.00 C ATOM 1145 CG ARG A 76 1.116 -9.016 6.852 1.00 0.00 C ATOM 1146 CD ARG A 76 2.543 -8.634 7.214 1.00 0.00 C ATOM 1147 NE ARG A 76 3.456 -8.799 6.086 1.00 0.00 N ATOM 1148 CZ ARG A 76 4.017 -9.958 5.759 1.00 0.00 C ATOM 1149 NH1 ARG A 76 3.758 -11.048 6.468 1.00 0.00 N ATOM 1150 NH2 ARG A 76 4.838 -10.029 4.718 1.00 0.00 N ATOM 0 H ARG A 76 -1.691 -7.029 8.846 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.240 -7.691 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.466 -7.360 8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.057 -8.927 8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.004 -10.099 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.909 -8.722 5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.567 -7.598 7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.882 -9.248 8.048 1.00 0.00 H new ATOM 0 HE ARG A 76 3.675 -7.980 5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.126 -10.998 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.190 -11.936 6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.038 -9.193 4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.268 -10.919 4.468 1.00 0.00 H new ATOM 1164 N ASN A 77 -1.950 -10.459 7.932 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.462 -11.817 7.786 1.00 0.00 C ATOM 1166 C ASN A 77 -3.766 -11.825 6.995 1.00 0.00 C ATOM 1167 O ASN A 77 -3.905 -12.558 6.016 1.00 0.00 O ATOM 1168 CB ASN A 77 -2.682 -12.451 9.161 1.00 0.00 C ATOM 1169 CG ASN A 77 -2.595 -13.965 9.120 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -2.519 -14.564 8.047 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -2.606 -14.590 10.291 1.00 0.00 N ATOM 0 H ASN A 77 -1.687 -10.208 8.885 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.723 -12.401 7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.939 -12.066 9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.660 -12.156 9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.550 -15.608 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.670 -14.052 11.155 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.718 -11.004 7.426 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.010 -10.915 6.756 1.00 0.00 C ATOM 1180 C ILE A 78 -5.838 -10.693 5.257 1.00 0.00 C ATOM 1181 O ILE A 78 -6.562 -11.271 4.447 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.868 -9.776 7.338 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.269 -10.095 8.779 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.101 -9.550 6.477 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.859 -8.914 9.518 1.00 0.00 C ATOM 0 H ILE A 78 -4.619 -10.391 8.236 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.519 -11.864 6.924 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.277 -8.860 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.994 -10.909 8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.393 -10.451 9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.698 -8.742 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.795 -9.283 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.696 -10.463 6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.120 -9.213 10.533 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.128 -8.106 9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.754 -8.571 8.999 1.00 0.00 H new ATOM 1197 N TYR A 79 -4.874 -9.853 4.896 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.607 -9.554 3.494 1.00 0.00 C ATOM 1199 C TYR A 79 -3.903 -10.723 2.812 1.00 0.00 C ATOM 1200 O TYR A 79 -3.927 -10.847 1.587 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.754 -8.290 3.374 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.763 -7.683 1.989 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.870 -6.985 1.522 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.664 -7.808 1.148 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.883 -6.429 0.258 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.667 -7.254 -0.118 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.779 -6.566 -0.558 1.00 0.00 C ATOM 1208 OH TYR A 79 -3.786 -6.014 -1.819 1.00 0.00 O ATOM 0 H TYR A 79 -4.265 -9.367 5.554 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.562 -9.388 2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.114 -7.550 4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.727 -8.527 3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.735 -6.875 2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.793 -8.347 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.752 -5.890 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.804 -7.359 -0.759 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.871 -5.987 -2.169 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.277 -11.577 3.614 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.567 -12.738 3.090 1.00 0.00 C ATOM 1220 C ASP A 80 -3.539 -13.866 2.759 1.00 0.00 C ATOM 1221 O ASP A 80 -3.460 -14.476 1.693 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.526 -13.224 4.099 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.289 -12.348 4.123 1.00 0.00 C ATOM 1224 OD1 ASP A 80 0.318 -12.149 3.050 1.00 0.00 O ATOM 1225 OD2 ASP A 80 0.072 -11.861 5.215 1.00 0.00 O ATOM 0 H ASP A 80 -3.247 -11.487 4.630 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.060 -12.439 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.971 -13.246 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.238 -14.247 3.856 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.456 -14.140 3.681 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.445 -15.194 3.489 1.00 0.00 C ATOM 1232 C LYS A 81 -6.637 -14.683 2.687 1.00 0.00 C ATOM 1233 O LYS A 81 -7.085 -15.331 1.741 1.00 0.00 O ATOM 1234 CB LYS A 81 -5.918 -15.730 4.842 1.00 0.00 C ATOM 1235 CG LYS A 81 -6.443 -14.651 5.774 1.00 0.00 C ATOM 1236 CD LYS A 81 -6.918 -15.236 7.093 1.00 0.00 C ATOM 1237 CE LYS A 81 -7.231 -14.146 8.106 1.00 0.00 C ATOM 1238 NZ LYS A 81 -5.996 -13.597 8.731 1.00 0.00 N ATOM 0 H LYS A 81 -4.535 -13.646 4.570 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.974 -16.002 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.702 -16.469 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.091 -16.247 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.659 -13.918 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.265 -14.122 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.807 -15.843 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.152 -15.899 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.778 -13.341 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.883 -14.548 8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.101 -12.571 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.842 -14.052 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.181 -13.784 8.112 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.146 -13.517 3.071 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.287 -12.919 2.388 1.00 0.00 C ATOM 1254 C TYR A 82 -7.826 -11.945 1.308 1.00 0.00 C ATOM 1255 O TYR A 82 -7.950 -12.218 0.115 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.188 -12.198 3.391 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.615 -13.064 4.555 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.600 -14.450 4.455 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.033 -12.498 5.752 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -9.990 -15.246 5.515 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.422 -13.286 6.818 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.399 -14.659 6.694 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.788 -15.448 7.753 1.00 0.00 O ATOM 0 H TYR A 82 -6.786 -12.968 3.851 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.853 -13.719 1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.663 -11.323 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.076 -11.836 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.278 -14.913 3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.054 -11.423 5.851 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.975 -16.322 5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.742 -12.829 7.743 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.046 -14.879 8.508 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.294 -10.805 1.738 1.00 0.00 N ATOM 1274 CA GLY A 83 -6.822 -9.806 0.797 1.00 0.00 C ATOM 1275 C GLY A 83 -7.630 -8.525 0.857 1.00 0.00 C ATOM 1276 O GLY A 83 -7.879 -7.990 1.938 1.00 0.00 O ATOM 0 H GLY A 83 -7.181 -10.556 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.776 -9.582 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.867 -10.213 -0.213 1.00 0.00 H new ATOM 1280 N SER A 84 -8.039 -8.029 -0.307 1.00 0.00 N ATOM 1281 CA SER A 84 -8.819 -6.799 -0.382 1.00 0.00 C ATOM 1282 C SER A 84 -10.194 -6.988 0.251 1.00 0.00 C ATOM 1283 O SER A 84 -10.703 -6.099 0.935 1.00 0.00 O ATOM 1284 CB SER A 84 -8.972 -6.356 -1.839 1.00 0.00 C ATOM 1285 OG SER A 84 -9.401 -5.008 -1.919 1.00 0.00 O ATOM 0 H SER A 84 -7.843 -8.460 -1.210 1.00 0.00 H new ATOM 0 HA SER A 84 -8.287 -6.026 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.021 -6.470 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.691 -7.000 -2.345 1.00 0.00 H new ATOM 0 HG SER A 84 -9.490 -4.748 -2.860 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.790 -8.153 0.019 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.107 -8.460 0.566 1.00 0.00 C ATOM 1293 C LEU A 85 -12.060 -8.535 2.089 1.00 0.00 C ATOM 1294 O LEU A 85 -12.860 -7.902 2.777 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.622 -9.783 -0.005 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.073 -10.136 0.324 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -15.029 -9.270 -0.482 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.335 -11.612 0.060 1.00 0.00 C ATOM 0 H LEU A 85 -10.382 -8.900 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.788 -7.658 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.513 -9.755 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.982 -10.587 0.359 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.244 -9.941 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.057 -9.535 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.858 -8.220 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.858 -9.433 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.372 -11.846 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.146 -11.833 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.674 -12.216 0.682 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.115 -9.312 2.610 1.00 0.00 N ATOM 1311 CA GLY A 86 -10.979 -9.454 4.048 1.00 0.00 C ATOM 1312 C GLY A 86 -11.013 -8.120 4.767 1.00 0.00 C ATOM 1313 O GLY A 86 -11.833 -7.908 5.661 1.00 0.00 O ATOM 0 H GLY A 86 -10.441 -9.846 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.782 -10.087 4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.041 -9.961 4.273 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.119 -7.217 4.378 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.047 -5.897 4.993 1.00 0.00 C ATOM 1319 C LEU A 87 -11.416 -5.225 5.001 1.00 0.00 C ATOM 1320 O LEU A 87 -11.866 -4.721 6.030 1.00 0.00 O ATOM 1321 CB LEU A 87 -9.040 -5.019 4.248 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.600 -5.533 4.210 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.722 -4.601 3.390 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.051 -5.684 5.621 1.00 0.00 C ATOM 0 H LEU A 87 -9.434 -7.376 3.639 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.717 -6.022 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.387 -4.893 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.040 -4.031 4.708 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.596 -6.513 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.701 -4.983 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.104 -4.544 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.731 -3.607 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.026 -6.051 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.068 -4.717 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.665 -6.393 6.176 1.00 0.00 H new ATOM 1336 N TYR A 88 -12.075 -5.223 3.847 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.394 -4.613 3.721 1.00 0.00 C ATOM 1338 C TYR A 88 -14.356 -5.174 4.764 1.00 0.00 C ATOM 1339 O TYR A 88 -14.963 -4.427 5.531 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.954 -4.846 2.317 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.462 -4.772 2.247 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -16.124 -3.556 2.357 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.226 -5.919 2.069 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.502 -3.484 2.295 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.605 -5.857 2.003 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.238 -4.637 2.117 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.611 -4.569 2.053 1.00 0.00 O ATOM 0 H TYR A 88 -11.718 -5.637 2.986 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.288 -3.541 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.530 -4.106 1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.630 -5.825 1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.551 -2.651 2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.733 -6.876 1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.000 -2.530 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.183 -6.758 1.863 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.977 -5.469 1.924 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.489 -6.496 4.786 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.375 -7.160 5.735 1.00 0.00 C ATOM 1359 C VAL A 89 -15.028 -6.778 7.170 1.00 0.00 C ATOM 1360 O VAL A 89 -15.806 -6.112 7.851 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.305 -8.692 5.592 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.276 -9.363 6.552 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.590 -9.106 4.156 1.00 0.00 C ATOM 0 H VAL A 89 -13.994 -7.129 4.157 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.388 -6.828 5.508 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.297 -9.018 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.212 -10.445 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.021 -9.092 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.291 -9.034 6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.536 -10.192 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.587 -8.769 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.851 -8.655 3.494 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.853 -7.205 7.622 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.401 -6.906 8.976 1.00 0.00 C ATOM 1375 C ALA A 90 -13.646 -5.442 9.325 1.00 0.00 C ATOM 1376 O ALA A 90 -14.198 -5.131 10.380 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.926 -7.247 9.127 1.00 0.00 C ATOM 0 H ALA A 90 -13.197 -7.759 7.071 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.977 -7.519 9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.602 -7.019 10.142 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.776 -8.308 8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.342 -6.659 8.419 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.232 -4.548 8.433 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.406 -3.116 8.650 1.00 0.00 C ATOM 1385 C GLU A 91 -14.822 -2.806 9.127 1.00 0.00 C ATOM 1386 O GLU A 91 -15.013 -2.104 10.120 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.108 -2.344 7.363 1.00 0.00 C ATOM 1388 CG GLU A 91 -13.072 -0.836 7.553 1.00 0.00 C ATOM 1389 CD GLU A 91 -14.431 -0.191 7.363 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -15.258 -0.757 6.619 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -14.667 0.880 7.961 1.00 0.00 O ATOM 0 H GLU A 91 -12.774 -4.789 7.554 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.705 -2.803 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.149 -2.675 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.865 -2.590 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.703 -0.608 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.366 -0.401 6.846 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.810 -3.335 8.412 1.00 0.00 N ATOM 1399 CA GLN A 92 -17.208 -3.113 8.761 1.00 0.00 C ATOM 1400 C GLN A 92 -17.558 -3.810 10.072 1.00 0.00 C ATOM 1401 O GLN A 92 -18.008 -3.173 11.025 1.00 0.00 O ATOM 1402 CB GLN A 92 -18.121 -3.616 7.642 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.760 -3.070 6.270 1.00 0.00 C ATOM 1404 CD GLN A 92 -18.961 -2.960 5.351 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -19.820 -3.841 5.326 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -19.026 -1.874 4.590 1.00 0.00 N ATOM 0 H GLN A 92 -15.668 -3.920 7.588 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.359 -2.041 8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.080 -4.705 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -19.150 -3.342 7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.303 -2.087 6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.014 -3.718 5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.291 -1.169 4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -19.811 -1.745 3.952 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.350 -5.122 10.113 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.645 -5.906 11.306 1.00 0.00 C ATOM 1417 C PHE A 93 -16.367 -6.232 12.073 1.00 0.00 C ATOM 1418 O PHE A 93 -16.192 -5.813 13.216 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.369 -7.199 10.926 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.296 -7.046 9.754 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.806 -7.080 8.458 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.656 -6.866 9.947 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.655 -6.939 7.377 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.510 -6.725 8.870 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.009 -6.760 7.583 1.00 0.00 C ATOM 0 H PHE A 93 -16.978 -5.664 9.333 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.292 -5.311 11.950 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.629 -7.966 10.696 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.938 -7.553 11.785 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.748 -7.218 8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -21.053 -6.836 10.951 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.260 -6.969 6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.569 -6.588 9.034 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.675 -6.648 6.740 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.476 -6.984 11.434 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.226 -7.355 12.070 1.00 0.00 C ATOM 1437 C GLY A 94 -13.901 -8.826 11.898 1.00 0.00 C ATOM 1438 O GLY A 94 -14.777 -9.627 11.573 1.00 0.00 O ATOM 0 H GLY A 94 -15.598 -7.343 10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.417 -6.756 11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.279 -7.120 13.133 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.639 -9.181 12.115 1.00 0.00 N ATOM 1443 CA GLU A 95 -12.202 -10.566 11.979 1.00 0.00 C ATOM 1444 C GLU A 95 -13.108 -11.503 12.772 1.00 0.00 C ATOM 1445 O GLU A 95 -13.274 -12.669 12.417 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.755 -10.716 12.453 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.729 -10.507 11.352 1.00 0.00 C ATOM 1448 CD GLU A 95 -8.364 -11.062 11.713 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -7.954 -10.913 12.883 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -7.707 -11.645 10.826 1.00 0.00 O ATOM 0 H GLU A 95 -11.902 -8.530 12.385 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.262 -10.837 10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.568 -10.000 13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.622 -11.711 12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.081 -10.984 10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.640 -9.441 11.141 1.00 0.00 H new ATOM 1457 N GLU A 96 -13.690 -10.983 13.848 1.00 0.00 N ATOM 1458 CA GLU A 96 -14.578 -11.773 14.693 1.00 0.00 C ATOM 1459 C GLU A 96 -15.743 -12.335 13.882 1.00 0.00 C ATOM 1460 O GLU A 96 -16.272 -13.401 14.193 1.00 0.00 O ATOM 1461 CB GLU A 96 -15.110 -10.923 15.848 1.00 0.00 C ATOM 1462 CG GLU A 96 -16.225 -11.593 16.634 1.00 0.00 C ATOM 1463 CD GLU A 96 -15.708 -12.629 17.613 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -15.562 -13.803 17.211 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -15.449 -12.267 18.779 1.00 0.00 O ATOM 0 H GLU A 96 -13.563 -10.019 14.155 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.005 -12.606 15.099 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.288 -10.691 16.525 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.475 -9.975 15.452 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.788 -10.834 17.177 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.918 -12.068 15.940 1.00 0.00 H new ATOM 1472 N ASN A 97 -16.136 -11.608 12.841 1.00 0.00 N ATOM 1473 CA ASN A 97 -17.239 -12.032 11.985 1.00 0.00 C ATOM 1474 C ASN A 97 -16.721 -12.550 10.647 1.00 0.00 C ATOM 1475 O ASN A 97 -17.281 -13.482 10.071 1.00 0.00 O ATOM 1476 CB ASN A 97 -18.209 -10.872 11.755 1.00 0.00 C ATOM 1477 CG ASN A 97 -19.197 -10.709 12.894 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -19.143 -9.733 13.642 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -20.105 -11.668 13.031 1.00 0.00 N ATOM 0 H ASN A 97 -15.708 -10.723 12.570 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.766 -12.842 12.489 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.644 -9.948 11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.754 -11.037 10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -20.795 -11.613 13.780 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -20.112 -12.459 12.387 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.646 -11.939 10.158 1.00 0.00 N ATOM 1487 CA VAL A 98 -15.050 -12.339 8.889 1.00 0.00 C ATOM 1488 C VAL A 98 -14.867 -13.851 8.820 1.00 0.00 C ATOM 1489 O VAL A 98 -14.927 -14.445 7.744 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.687 -11.657 8.669 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.103 -12.053 7.322 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.823 -10.146 8.778 1.00 0.00 C ATOM 0 H VAL A 98 -15.170 -11.165 10.622 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.737 -12.023 8.104 1.00 0.00 H new ATOM 0 HB VAL A 98 -13.002 -11.993 9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.140 -11.561 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.967 -13.134 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.783 -11.748 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.850 -9.681 8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.523 -9.788 8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.193 -9.885 9.769 1.00 0.00 H new ATOM 1502 N ASN A 99 -14.645 -14.468 9.976 1.00 0.00 N ATOM 1503 CA ASN A 99 -14.453 -15.912 10.047 1.00 0.00 C ATOM 1504 C ASN A 99 -15.687 -16.651 9.538 1.00 0.00 C ATOM 1505 O ASN A 99 -15.604 -17.453 8.607 1.00 0.00 O ATOM 1506 CB ASN A 99 -14.148 -16.337 11.485 1.00 0.00 C ATOM 1507 CG ASN A 99 -14.820 -15.441 12.507 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -15.993 -15.093 12.368 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -14.079 -15.064 13.542 1.00 0.00 N ATOM 0 H ASN A 99 -14.594 -13.991 10.876 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.607 -16.172 9.411 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.477 -17.365 11.635 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.070 -16.321 11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.478 -14.462 14.262 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.111 -15.376 13.617 1.00 0.00 H new ATOM 1516 N THR A 100 -16.832 -16.374 10.154 1.00 0.00 N ATOM 1517 CA THR A 100 -18.083 -17.011 9.764 1.00 0.00 C ATOM 1518 C THR A 100 -18.479 -16.624 8.344 1.00 0.00 C ATOM 1519 O THR A 100 -19.356 -17.243 7.742 1.00 0.00 O ATOM 1520 CB THR A 100 -19.228 -16.636 10.724 1.00 0.00 C ATOM 1521 OG1 THR A 100 -20.397 -17.404 10.416 1.00 0.00 O ATOM 1522 CG2 THR A 100 -19.549 -15.153 10.629 1.00 0.00 C ATOM 0 H THR A 100 -16.918 -15.712 10.925 1.00 0.00 H new ATOM 0 HA THR A 100 -17.917 -18.087 9.811 1.00 0.00 H new ATOM 0 HB THR A 100 -18.907 -16.857 11.742 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.367 -17.684 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.360 -14.912 11.316 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.665 -14.572 10.893 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.852 -14.911 9.610 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.826 -15.596 7.813 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.111 -15.124 6.463 1.00 0.00 C ATOM 1532 C TYR A 101 -17.358 -15.952 5.426 1.00 0.00 C ATOM 1533 O TYR A 101 -17.938 -16.417 4.445 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.734 -13.648 6.325 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.844 -12.700 6.721 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -20.068 -12.721 6.064 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -18.668 -11.784 7.750 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -21.085 -11.856 6.421 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -19.680 -10.917 8.116 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.886 -10.957 7.448 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.896 -10.094 7.808 1.00 0.00 O ATOM 0 H TYR A 101 -17.096 -15.074 8.297 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.180 -15.237 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -16.858 -13.446 6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.449 -13.449 5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.227 -13.425 5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -17.724 -11.749 8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -22.030 -11.884 5.899 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -19.527 -10.212 8.920 1.00 0.00 H new ATOM 0 HH TYR A 101 -21.572 -9.171 7.754 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.061 -16.132 5.652 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.225 -16.903 4.738 1.00 0.00 C ATOM 1553 C PHE A 102 -15.473 -18.399 4.906 1.00 0.00 C ATOM 1554 O PHE A 102 -14.985 -19.212 4.122 1.00 0.00 O ATOM 1555 CB PHE A 102 -13.747 -16.589 4.977 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.286 -15.327 4.305 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -13.914 -14.120 4.564 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.224 -15.349 3.416 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.492 -12.956 3.948 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -11.797 -14.189 2.797 1.00 0.00 C ATOM 1561 CZ PHE A 102 -12.433 -12.991 3.063 1.00 0.00 C ATOM 0 H PHE A 102 -15.566 -15.755 6.460 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.488 -16.621 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.570 -16.506 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.144 -17.423 4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.743 -14.087 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.724 -16.283 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -13.990 -12.021 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.967 -14.219 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.102 -12.084 2.579 1.00 0.00 H new