USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=36 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 119 CYS SG : rot -90:sc= 0.262 USER MOD Set 1.2: A 122 CYS SG : rot 92:sc= -0.493 USER MOD Set 2.1: A 85 TYR OH : rot 169:sc= 1.38 USER MOD Set 2.2: A 87 CYS SG : rot -123:sc= 0.322 USER MOD Set 2.3: A 90 CYS SG : rot 167:sc= 0.421 USER MOD Set 2.4: A 101 HIS : no HD1:sc= -0.0886 X(o=3,f=2.7) USER MOD Set 2.5: A 108 CYS SG : rot -123:sc= 0.97 USER MOD Set 3.1: A 100 TYR OH : rot 20:sc= 2.07 USER MOD Set 3.2: A 102 CYS SG : rot -141:sc= 0.441 USER MOD Set 3.3: A 105 CYS SG : rot 130:sc= 0.417 USER MOD Set 3.4: A 118 HIS : no HE2:sc= 0.0134 X(o=4,f=3.8) USER MOD Set 3.5: A 125 CYS SG : rot -133:sc= 1.08 USER MOD Set 4.1: A 70 HIS : no HD1:sc= -0.015 X(o=0.7,f=0.71) USER MOD Set 4.2: A 72 GLN : amide:sc= 0.712 K(o=0.7,f=-0.25) USER MOD Set 5.1: A 62 CYS SG : rot -126:sc= -3.74! USER MOD Set 5.2: A 64 ASN : amide:sc= 1.73 K(o=-3.1,f=-16!) USER MOD Set 5.3: A 65 CYS SG : rot 33:sc= -3.62! USER MOD Set 5.4: A 69 GLN :FLIP amide:sc= 0.24 F(o=-4.7,f=-3.1) USER MOD Set 5.5: A 75 CYS SG : rot -101:sc= 0.371 USER MOD Set 5.6: A 78 CYS SG : rot -169:sc= 0.83 USER MOD Set 5.7: A 80 THR OG1 : rot 102:sc= 1.03 USER MOD Set 6.1: A 46 ASN : amide:sc= 0.208 X(o=-0.28,f=-0.21) USER MOD Set 6.2: A 47 ASN : amide:sc= -0.486 X(o=-0.28,f=-0.21) USER MOD Set 7.1: A 33 CYS SG : rot 69:sc= -0.175 USER MOD Set 7.2: A 34 CYS SG : rot 167:sc= -0.569 USER MOD Set 7.3: A 44 HIS : no HD1:sc= -1.44 K(o=-2.1,f=-4.3) USER MOD Set 7.4: A 50 HIS : no HD1:sc= 0.0661 K(o=-2.1,f=-3) USER MOD Set 8.1: A 20 CYS SG : rot -106:sc= -0.125 USER MOD Set 8.2: A 22 HIS : no HD1:sc= -0.301 K(o=-3.9,f=-5.3) USER MOD Set 8.3: A 40 CYS SG : rot 168:sc= -3.51! USER MOD Set 8.4: A 43 CYS SG : rot 123:sc= 0.00299 USER MOD Set 9.1: A 36 LYS NZ :NH3+ -162:sc= 0.356 (180deg=0) USER MOD Set 9.2: A 38 TYR OH : rot -139:sc= 0.647 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 163:sc= -0.253 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= 0.451 (180deg=-0.274) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.187 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.0256 (180deg=-0.153) USER MOD Single : A 61 GLN : amide:sc= -2.38 X(o=-2.4,f=-2.9) USER MOD Single : A 67 LYS NZ :NH3+ -138:sc= -0.333 (180deg=-1.49!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -40:sc= 0.39 USER MOD Single : A 86 TYR OH : rot -6:sc= 0.632 USER MOD Single : A 91 HIS : no HE2:sc= -0.31 K(o=-0.31,f=-2.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0.702 (180deg=0.696) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.222 K(o=-0.22,f=-6.4!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.5!) USER MOD Single : A 128 MET CE :methyl -153:sc= -0.228 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -10.029 9.302 -7.938 1.00 0.00 N ATOM 232 CA ARG A 18 -8.691 8.735 -7.667 1.00 0.00 C ATOM 233 C ARG A 18 -8.781 7.661 -6.568 1.00 0.00 C ATOM 234 O ARG A 18 -9.491 7.838 -5.569 1.00 0.00 O ATOM 235 CB ARG A 18 -7.646 9.839 -7.280 1.00 0.00 C ATOM 236 CG ARG A 18 -8.024 10.770 -6.095 1.00 0.00 C ATOM 237 CD ARG A 18 -9.049 11.846 -6.490 1.00 0.00 C ATOM 238 NE ARG A 18 -9.426 12.719 -5.369 1.00 0.00 N ATOM 239 CZ ARG A 18 -10.273 13.760 -5.455 1.00 0.00 C ATOM 240 NH1 ARG A 18 -10.824 14.097 -6.619 1.00 0.00 N ATOM 241 NH2 ARG A 18 -10.551 14.467 -4.369 1.00 0.00 N ATOM 0 HA ARG A 18 -8.338 8.273 -8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.704 9.347 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.466 10.460 -8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.429 10.169 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.123 11.253 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.637 12.455 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.943 11.362 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.014 12.520 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.605 13.563 -7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.465 14.889 -6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.124 14.220 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.192 15.258 -4.426 1.00 0.00 H new ATOM 255 N GLY A 19 -8.074 6.540 -6.786 1.00 0.00 N ATOM 256 CA GLY A 19 -7.967 5.455 -5.803 1.00 0.00 C ATOM 257 C GLY A 19 -8.493 4.130 -6.324 1.00 0.00 C ATOM 258 O GLY A 19 -8.623 3.934 -7.540 1.00 0.00 O ATOM 0 H GLY A 19 -7.561 6.363 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.923 5.337 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.518 5.731 -4.904 1.00 0.00 H new ATOM 262 N CYS A 20 -8.762 3.215 -5.388 1.00 0.00 N ATOM 263 CA CYS A 20 -9.386 1.910 -5.659 1.00 0.00 C ATOM 264 C CYS A 20 -10.110 1.461 -4.385 1.00 0.00 C ATOM 265 O CYS A 20 -9.816 1.962 -3.296 1.00 0.00 O ATOM 266 CB CYS A 20 -8.323 0.862 -6.098 1.00 0.00 C ATOM 267 SG CYS A 20 -8.976 -0.773 -6.611 1.00 0.00 S ATOM 0 H CYS A 20 -8.549 3.360 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.097 1.999 -6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.750 1.279 -6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.627 0.711 -5.273 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.738 -1.647 -5.679 1.00 0.00 H new ATOM 272 N GLU A 21 -11.044 0.510 -4.528 1.00 0.00 N ATOM 273 CA GLU A 21 -11.862 -0.017 -3.410 1.00 0.00 C ATOM 274 C GLU A 21 -11.000 -0.642 -2.280 1.00 0.00 C ATOM 275 O GLU A 21 -11.440 -0.724 -1.135 1.00 0.00 O ATOM 276 CB GLU A 21 -12.867 -1.063 -3.960 1.00 0.00 C ATOM 277 CG GLU A 21 -12.195 -2.305 -4.584 1.00 0.00 C ATOM 278 CD GLU A 21 -13.194 -3.324 -5.150 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.832 -4.051 -4.357 1.00 0.00 O ATOM 280 OE2 GLU A 21 -13.338 -3.412 -6.390 1.00 0.00 O ATOM 0 H GLU A 21 -11.260 0.077 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.397 0.823 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.522 -1.384 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.498 -0.587 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.525 -1.983 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.579 -2.793 -3.828 1.00 0.00 H new ATOM 287 N HIS A 22 -9.775 -1.073 -2.631 1.00 0.00 N ATOM 288 CA HIS A 22 -8.857 -1.768 -1.713 1.00 0.00 C ATOM 289 C HIS A 22 -8.001 -0.774 -0.900 1.00 0.00 C ATOM 290 O HIS A 22 -7.751 -0.993 0.289 1.00 0.00 O ATOM 291 CB HIS A 22 -7.967 -2.747 -2.525 1.00 0.00 C ATOM 292 CG HIS A 22 -8.764 -3.784 -3.283 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.838 -3.798 -4.668 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.521 -4.801 -2.797 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.637 -4.807 -4.972 1.00 0.00 C ATOM 296 NE2 HIS A 22 -10.068 -5.441 -3.877 1.00 0.00 N ATOM 0 H HIS A 22 -9.392 -0.947 -3.568 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.445 -2.334 -0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.360 -2.178 -3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.279 -3.251 -1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.664 -5.056 -1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.908 -5.084 -5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.688 -6.250 -3.851 1.00 0.00 H new ATOM 304 N TYR A 23 -7.534 0.308 -1.558 1.00 0.00 N ATOM 305 CA TYR A 23 -6.764 1.394 -0.906 1.00 0.00 C ATOM 306 C TYR A 23 -7.271 2.743 -1.438 1.00 0.00 C ATOM 307 O TYR A 23 -7.171 3.012 -2.649 1.00 0.00 O ATOM 308 CB TYR A 23 -5.233 1.272 -1.181 1.00 0.00 C ATOM 309 CG TYR A 23 -4.604 -0.076 -0.784 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.190 -0.340 0.529 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.447 -1.094 -1.728 1.00 0.00 C ATOM 312 CE1 TYR A 23 -3.638 -1.565 0.871 1.00 0.00 C ATOM 313 CE2 TYR A 23 -3.903 -2.313 -1.388 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.498 -2.547 -0.090 1.00 0.00 C ATOM 315 OH TYR A 23 -2.953 -3.771 0.244 1.00 0.00 O ATOM 0 H TYR A 23 -7.679 0.455 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.911 1.319 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.056 1.439 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.718 2.068 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.303 0.422 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.759 -0.921 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.318 -1.751 1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.794 -3.084 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.928 -4.346 -0.550 1.00 0.00 H new ATOM 325 N ASP A 24 -7.820 3.572 -0.540 1.00 0.00 N ATOM 326 CA ASP A 24 -8.291 4.926 -0.868 1.00 0.00 C ATOM 327 C ASP A 24 -7.096 5.891 -0.827 1.00 0.00 C ATOM 328 O ASP A 24 -6.750 6.433 0.234 1.00 0.00 O ATOM 329 CB ASP A 24 -9.397 5.391 0.119 1.00 0.00 C ATOM 330 CG ASP A 24 -10.591 4.425 0.223 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.127 3.999 -0.828 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.003 4.086 1.356 1.00 0.00 O ATOM 0 H ASP A 24 -7.951 3.321 0.440 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.727 4.918 -1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.957 5.516 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.761 6.370 -0.194 1.00 0.00 H new ATOM 337 N ARG A 25 -6.445 6.054 -1.986 1.00 0.00 N ATOM 338 CA ARG A 25 -5.211 6.843 -2.126 1.00 0.00 C ATOM 339 C ARG A 25 -5.193 7.582 -3.472 1.00 0.00 C ATOM 340 O ARG A 25 -5.701 7.076 -4.474 1.00 0.00 O ATOM 341 CB ARG A 25 -3.971 5.907 -1.990 1.00 0.00 C ATOM 342 CG ARG A 25 -3.991 4.672 -2.913 1.00 0.00 C ATOM 343 CD ARG A 25 -2.761 3.759 -2.747 1.00 0.00 C ATOM 344 NE ARG A 25 -1.514 4.395 -3.207 1.00 0.00 N ATOM 345 CZ ARG A 25 -0.281 3.924 -2.979 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.097 2.855 -2.209 1.00 0.00 N ATOM 347 NH2 ARG A 25 0.769 4.528 -3.518 1.00 0.00 N ATOM 0 H ARG A 25 -6.762 5.639 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.175 7.591 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.071 6.486 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.899 5.570 -0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.893 4.093 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.050 5.004 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.658 3.483 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.921 2.836 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.596 5.261 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.899 2.387 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.846 2.504 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.638 5.351 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.708 4.170 -3.345 1.00 0.00 H new ATOM 361 N GLY A 26 -4.563 8.769 -3.488 1.00 0.00 N ATOM 362 CA GLY A 26 -4.459 9.589 -4.696 1.00 0.00 C ATOM 363 C GLY A 26 -3.291 9.200 -5.602 1.00 0.00 C ATOM 364 O GLY A 26 -2.835 10.026 -6.405 1.00 0.00 O ATOM 0 H GLY A 26 -4.116 9.180 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.388 9.509 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.351 10.634 -4.407 1.00 0.00 H new ATOM 368 N CYS A 27 -2.823 7.928 -5.502 1.00 0.00 N ATOM 369 CA CYS A 27 -1.669 7.427 -6.275 1.00 0.00 C ATOM 370 C CYS A 27 -1.748 5.904 -6.553 1.00 0.00 C ATOM 371 O CYS A 27 -2.374 5.157 -5.805 1.00 0.00 O ATOM 372 CB CYS A 27 -0.353 7.795 -5.556 1.00 0.00 C ATOM 373 SG CYS A 27 0.012 9.567 -5.612 1.00 0.00 S ATOM 0 H CYS A 27 -3.237 7.229 -4.885 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.693 7.914 -7.250 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.412 7.474 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.470 7.245 -6.013 1.00 0.00 H new ATOM 0 HG CYS A 27 0.909 9.854 -4.716 1.00 0.00 H new ATOM 379 N LEU A 28 -1.108 5.484 -7.667 1.00 0.00 N ATOM 380 CA LEU A 28 -0.967 4.067 -8.080 1.00 0.00 C ATOM 381 C LEU A 28 0.459 3.579 -7.743 1.00 0.00 C ATOM 382 O LEU A 28 1.393 4.358 -7.849 1.00 0.00 O ATOM 383 CB LEU A 28 -1.191 3.939 -9.618 1.00 0.00 C ATOM 384 CG LEU A 28 -2.483 4.600 -10.213 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.474 4.578 -11.755 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.758 3.943 -9.681 1.00 0.00 C ATOM 0 H LEU A 28 -0.666 6.133 -8.318 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.706 3.465 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.327 4.373 -10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.208 2.879 -9.870 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.478 5.640 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.385 5.044 -12.131 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.607 5.127 -12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.424 3.547 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.629 4.431 -10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.762 2.886 -9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.793 4.043 -8.596 1.00 0.00 H new ATOM 398 N LEU A 29 0.621 2.303 -7.348 1.00 0.00 N ATOM 399 CA LEU A 29 1.963 1.678 -7.135 1.00 0.00 C ATOM 400 C LEU A 29 2.599 1.308 -8.488 1.00 0.00 C ATOM 401 O LEU A 29 1.965 0.626 -9.301 1.00 0.00 O ATOM 402 CB LEU A 29 1.849 0.397 -6.257 1.00 0.00 C ATOM 403 CG LEU A 29 1.392 0.618 -4.782 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.167 -0.729 -4.050 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.403 1.509 -4.021 1.00 0.00 C ATOM 0 H LEU A 29 -0.159 1.672 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 29 2.591 2.405 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.147 -0.286 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.819 -0.099 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 29 0.434 1.138 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.849 -0.537 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.397 -1.300 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.097 -1.298 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.064 1.649 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.381 1.028 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.477 2.478 -4.514 1.00 0.00 H new ATOM 417 N LYS A 30 3.844 1.753 -8.724 1.00 0.00 N ATOM 418 CA LYS A 30 4.589 1.379 -9.938 1.00 0.00 C ATOM 419 C LYS A 30 5.308 0.039 -9.723 1.00 0.00 C ATOM 420 O LYS A 30 6.271 -0.040 -8.945 1.00 0.00 O ATOM 421 CB LYS A 30 5.611 2.457 -10.353 1.00 0.00 C ATOM 422 CG LYS A 30 6.251 2.157 -11.723 1.00 0.00 C ATOM 423 CD LYS A 30 7.387 3.115 -12.088 1.00 0.00 C ATOM 424 CE LYS A 30 8.011 2.741 -13.429 1.00 0.00 C ATOM 425 NZ LYS A 30 9.227 3.543 -13.728 1.00 0.00 N ATOM 0 H LYS A 30 4.355 2.370 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 30 3.863 1.286 -10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.117 3.428 -10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.392 2.525 -9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.633 1.136 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.482 2.208 -12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.006 4.135 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.150 3.093 -11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.269 1.682 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.278 2.887 -14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.879 2.981 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.956 4.405 -14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.697 3.805 -12.838 1.00 0.00 H new ATOM 439 N ALA A 31 4.815 -0.996 -10.415 1.00 0.00 N ATOM 440 CA ALA A 31 5.430 -2.324 -10.450 1.00 0.00 C ATOM 441 C ALA A 31 6.722 -2.254 -11.287 1.00 0.00 C ATOM 442 O ALA A 31 6.622 -2.060 -12.492 1.00 0.00 O ATOM 443 CB ALA A 31 4.442 -3.337 -11.065 1.00 0.00 C ATOM 0 H ALA A 31 3.964 -0.931 -10.974 1.00 0.00 H new ATOM 0 HA ALA A 31 5.675 -2.650 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.902 -4.325 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.536 -3.374 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.189 -3.029 -12.079 1.00 0.00 H new ATOM 449 N PRO A 32 7.947 -2.407 -10.684 1.00 0.00 N ATOM 450 CA PRO A 32 9.231 -2.286 -11.432 1.00 0.00 C ATOM 451 C PRO A 32 9.457 -3.480 -12.394 1.00 0.00 C ATOM 452 O PRO A 32 10.255 -3.400 -13.330 1.00 0.00 O ATOM 453 CB PRO A 32 10.286 -2.247 -10.293 1.00 0.00 C ATOM 454 CG PRO A 32 9.665 -3.047 -9.193 1.00 0.00 C ATOM 455 CD PRO A 32 8.182 -2.730 -9.246 1.00 0.00 C ATOM 0 HA PRO A 32 9.269 -1.412 -12.082 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.234 -2.678 -10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.492 -1.225 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.843 -4.113 -9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.089 -2.779 -8.225 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.578 -3.577 -8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.927 -1.890 -8.599 1.00 0.00 H new ATOM 463 N CYS A 33 8.726 -4.578 -12.131 1.00 0.00 N ATOM 464 CA CYS A 33 8.753 -5.809 -12.934 1.00 0.00 C ATOM 465 C CYS A 33 7.997 -5.642 -14.265 1.00 0.00 C ATOM 466 O CYS A 33 8.229 -6.389 -15.218 1.00 0.00 O ATOM 467 CB CYS A 33 8.110 -6.940 -12.113 1.00 0.00 C ATOM 468 SG CYS A 33 6.406 -6.571 -11.567 1.00 0.00 S ATOM 0 H CYS A 33 8.088 -4.633 -11.337 1.00 0.00 H new ATOM 0 HA CYS A 33 9.790 -6.045 -13.175 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.102 -7.852 -12.710 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.728 -7.138 -11.237 1.00 0.00 H new ATOM 0 HG CYS A 33 5.613 -6.562 -12.597 1.00 0.00 H new ATOM 473 N CYS A 34 7.076 -4.663 -14.311 1.00 0.00 N ATOM 474 CA CYS A 34 6.189 -4.436 -15.474 1.00 0.00 C ATOM 475 C CYS A 34 6.253 -2.985 -15.996 1.00 0.00 C ATOM 476 O CYS A 34 5.815 -2.720 -17.116 1.00 0.00 O ATOM 477 CB CYS A 34 4.743 -4.810 -15.082 1.00 0.00 C ATOM 478 SG CYS A 34 4.478 -6.597 -14.914 1.00 0.00 S ATOM 0 H CYS A 34 6.923 -4.006 -13.546 1.00 0.00 H new ATOM 0 HA CYS A 34 6.533 -5.070 -16.291 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.493 -4.323 -14.139 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.058 -4.418 -15.834 1.00 0.00 H new ATOM 0 HG CYS A 34 3.338 -6.813 -14.328 1.00 0.00 H new ATOM 483 N ASP A 35 6.804 -2.063 -15.173 1.00 0.00 N ATOM 484 CA ASP A 35 6.736 -0.589 -15.386 1.00 0.00 C ATOM 485 C ASP A 35 5.279 -0.091 -15.512 1.00 0.00 C ATOM 486 O ASP A 35 5.020 0.985 -16.058 1.00 0.00 O ATOM 487 CB ASP A 35 7.607 -0.145 -16.600 1.00 0.00 C ATOM 488 CG ASP A 35 9.113 -0.239 -16.312 1.00 0.00 C ATOM 489 OD1 ASP A 35 9.668 -1.357 -16.350 1.00 0.00 O ATOM 490 OD2 ASP A 35 9.740 0.804 -16.006 1.00 0.00 O ATOM 0 H ASP A 35 7.316 -2.320 -14.329 1.00 0.00 H new ATOM 0 HA ASP A 35 7.155 -0.117 -14.498 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.366 -0.767 -17.462 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.355 0.881 -16.867 1.00 0.00 H new ATOM 495 N LYS A 36 4.336 -0.872 -14.947 1.00 0.00 N ATOM 496 CA LYS A 36 2.895 -0.583 -15.011 1.00 0.00 C ATOM 497 C LYS A 36 2.383 -0.113 -13.646 1.00 0.00 C ATOM 498 O LYS A 36 2.983 -0.399 -12.605 1.00 0.00 O ATOM 499 CB LYS A 36 2.106 -1.828 -15.484 1.00 0.00 C ATOM 500 CG LYS A 36 2.435 -2.313 -16.917 1.00 0.00 C ATOM 501 CD LYS A 36 1.405 -3.339 -17.442 1.00 0.00 C ATOM 502 CE LYS A 36 0.015 -2.715 -17.656 1.00 0.00 C ATOM 503 NZ LYS A 36 -1.000 -3.720 -18.047 1.00 0.00 N ATOM 0 H LYS A 36 4.557 -1.724 -14.432 1.00 0.00 H new ATOM 0 HA LYS A 36 2.739 0.216 -15.736 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.297 -2.645 -14.788 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.040 -1.605 -15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.466 -1.456 -17.590 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.428 -2.762 -16.927 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.761 -3.759 -18.383 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.325 -4.165 -16.735 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.303 -2.219 -16.739 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.079 -1.948 -18.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.820 -3.239 -18.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.589 -4.377 -18.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.305 -4.250 -17.206 1.00 0.00 H new ATOM 517 N LEU A 37 1.248 0.593 -13.681 1.00 0.00 N ATOM 518 CA LEU A 37 0.693 1.316 -12.531 1.00 0.00 C ATOM 519 C LEU A 37 -0.595 0.640 -12.028 1.00 0.00 C ATOM 520 O LEU A 37 -1.576 0.520 -12.774 1.00 0.00 O ATOM 521 CB LEU A 37 0.416 2.790 -12.927 1.00 0.00 C ATOM 522 CG LEU A 37 1.655 3.702 -13.204 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.637 3.683 -12.019 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.359 3.383 -14.539 1.00 0.00 C ATOM 0 H LEU A 37 0.679 0.680 -14.523 1.00 0.00 H new ATOM 0 HA LEU A 37 1.420 1.295 -11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.208 2.788 -13.821 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.170 3.249 -12.131 1.00 0.00 H new ATOM 0 HG LEU A 37 1.273 4.718 -13.307 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.488 4.326 -12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.133 4.045 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.986 2.664 -11.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.210 4.051 -14.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.707 2.350 -14.529 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.658 3.522 -15.362 1.00 0.00 H new ATOM 536 N TYR A 38 -0.572 0.207 -10.755 1.00 0.00 N ATOM 537 CA TYR A 38 -1.683 -0.492 -10.082 1.00 0.00 C ATOM 538 C TYR A 38 -1.780 0.007 -8.630 1.00 0.00 C ATOM 539 O TYR A 38 -0.802 -0.097 -7.902 1.00 0.00 O ATOM 540 CB TYR A 38 -1.436 -2.032 -10.074 1.00 0.00 C ATOM 541 CG TYR A 38 -1.330 -2.698 -11.458 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.471 -3.088 -12.155 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.087 -2.954 -12.056 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.384 -3.710 -13.386 1.00 0.00 C ATOM 545 CE2 TYR A 38 0.000 -3.581 -13.284 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.154 -3.956 -13.947 1.00 0.00 C ATOM 547 OH TYR A 38 -1.076 -4.581 -15.175 1.00 0.00 O ATOM 0 H TYR A 38 0.239 0.336 -10.150 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.609 -0.286 -10.619 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.516 -2.231 -9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.247 -2.509 -9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.444 -2.900 -11.725 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.818 -2.656 -11.547 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.283 -4.003 -13.907 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.966 -3.778 -13.725 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.343 -5.232 -15.165 1.00 0.00 H new ATOM 557 N THR A 39 -2.957 0.535 -8.209 1.00 0.00 N ATOM 558 CA THR A 39 -3.199 1.005 -6.807 1.00 0.00 C ATOM 559 C THR A 39 -2.839 -0.089 -5.766 1.00 0.00 C ATOM 560 O THR A 39 -2.325 0.196 -4.675 1.00 0.00 O ATOM 561 CB THR A 39 -4.704 1.407 -6.586 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.173 2.246 -7.638 1.00 0.00 O ATOM 563 CG2 THR A 39 -4.943 2.120 -5.242 1.00 0.00 C ATOM 0 H THR A 39 -3.765 0.650 -8.822 1.00 0.00 H new ATOM 0 HA THR A 39 -2.557 1.874 -6.665 1.00 0.00 H new ATOM 0 HB THR A 39 -5.260 0.470 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.052 2.608 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.999 2.372 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.652 1.461 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.347 3.032 -5.203 1.00 0.00 H new ATOM 571 N CYS A 40 -3.115 -1.349 -6.145 1.00 0.00 N ATOM 572 CA CYS A 40 -2.969 -2.514 -5.267 1.00 0.00 C ATOM 573 C CYS A 40 -2.004 -3.530 -5.890 1.00 0.00 C ATOM 574 O CYS A 40 -1.998 -3.715 -7.115 1.00 0.00 O ATOM 575 CB CYS A 40 -4.346 -3.183 -5.076 1.00 0.00 C ATOM 576 SG CYS A 40 -5.729 -2.030 -4.904 1.00 0.00 S ATOM 0 H CYS A 40 -3.449 -1.585 -7.079 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.573 -2.185 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.539 -3.836 -5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.307 -3.817 -4.190 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.851 -2.678 -5.014 1.00 0.00 H new ATOM 581 N ARG A 41 -1.237 -4.219 -5.030 1.00 0.00 N ATOM 582 CA ARG A 41 -0.392 -5.361 -5.436 1.00 0.00 C ATOM 583 C ARG A 41 -1.253 -6.519 -6.017 1.00 0.00 C ATOM 584 O ARG A 41 -0.838 -7.221 -6.946 1.00 0.00 O ATOM 585 CB ARG A 41 0.450 -5.853 -4.222 1.00 0.00 C ATOM 586 CG ARG A 41 -0.379 -6.296 -2.988 1.00 0.00 C ATOM 587 CD ARG A 41 0.484 -6.868 -1.846 1.00 0.00 C ATOM 588 NE ARG A 41 1.242 -8.056 -2.277 1.00 0.00 N ATOM 589 CZ ARG A 41 1.303 -9.232 -1.634 1.00 0.00 C ATOM 590 NH1 ARG A 41 0.633 -9.439 -0.505 1.00 0.00 N ATOM 591 NH2 ARG A 41 2.027 -10.211 -2.144 1.00 0.00 N ATOM 0 H ARG A 41 -1.183 -4.003 -4.035 1.00 0.00 H new ATOM 0 HA ARG A 41 0.284 -5.029 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.070 -6.690 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.126 -5.053 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.945 -5.443 -2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.104 -7.048 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.176 -6.103 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.155 -7.131 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 41 1.770 -7.977 -3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.057 -8.695 -0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.695 -10.341 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.533 -10.069 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.081 -11.109 -1.664 1.00 0.00 H new ATOM 605 N LEU A 42 -2.472 -6.663 -5.467 1.00 0.00 N ATOM 606 CA LEU A 42 -3.426 -7.724 -5.838 1.00 0.00 C ATOM 607 C LEU A 42 -4.128 -7.430 -7.188 1.00 0.00 C ATOM 608 O LEU A 42 -4.449 -8.354 -7.932 1.00 0.00 O ATOM 609 CB LEU A 42 -4.434 -7.930 -4.660 1.00 0.00 C ATOM 610 CG LEU A 42 -5.242 -6.671 -4.159 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.510 -6.409 -5.000 1.00 0.00 C ATOM 612 CD2 LEU A 42 -5.594 -6.769 -2.656 1.00 0.00 C ATOM 0 H LEU A 42 -2.827 -6.038 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.886 -8.657 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.153 -8.691 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.881 -8.333 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.579 -5.816 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.029 -5.532 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.228 -6.235 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.170 -7.275 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.150 -5.881 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.204 -7.656 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.677 -6.839 -2.071 1.00 0.00 H new ATOM 624 N CYS A 43 -4.342 -6.132 -7.500 1.00 0.00 N ATOM 625 CA CYS A 43 -4.986 -5.696 -8.772 1.00 0.00 C ATOM 626 C CYS A 43 -4.030 -5.898 -9.979 1.00 0.00 C ATOM 627 O CYS A 43 -4.479 -6.013 -11.120 1.00 0.00 O ATOM 628 CB CYS A 43 -5.535 -4.239 -8.650 1.00 0.00 C ATOM 629 SG CYS A 43 -7.226 -4.127 -7.903 1.00 0.00 S ATOM 0 H CYS A 43 -4.078 -5.360 -6.888 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.851 -6.331 -8.964 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.843 -3.651 -8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.557 -3.786 -9.641 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.186 -3.364 -6.851 1.00 0.00 H new ATOM 634 N HIS A 44 -2.710 -5.940 -9.699 1.00 0.00 N ATOM 635 CA HIS A 44 -1.680 -6.402 -10.668 1.00 0.00 C ATOM 636 C HIS A 44 -1.817 -7.920 -10.896 1.00 0.00 C ATOM 637 O HIS A 44 -1.888 -8.382 -12.037 1.00 0.00 O ATOM 638 CB HIS A 44 -0.259 -6.036 -10.131 1.00 0.00 C ATOM 639 CG HIS A 44 0.919 -6.775 -10.750 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.168 -8.103 -10.488 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.989 -6.346 -11.509 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.314 -8.434 -11.053 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.867 -7.427 -11.682 1.00 0.00 N ATOM 0 H HIS A 44 -2.324 -5.656 -8.799 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.825 -5.904 -11.627 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.105 -4.967 -10.278 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.245 -6.215 -9.056 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.127 -5.350 -11.902 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.746 -9.422 -11.002 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.751 -7.428 -12.191 1.00 0.00 H new ATOM 651 N ASP A 45 -1.863 -8.675 -9.777 1.00 0.00 N ATOM 652 CA ASP A 45 -1.915 -10.159 -9.771 1.00 0.00 C ATOM 653 C ASP A 45 -3.125 -10.701 -10.559 1.00 0.00 C ATOM 654 O ASP A 45 -3.007 -11.700 -11.269 1.00 0.00 O ATOM 655 CB ASP A 45 -1.947 -10.668 -8.299 1.00 0.00 C ATOM 656 CG ASP A 45 -2.189 -12.190 -8.155 1.00 0.00 C ATOM 657 OD1 ASP A 45 -1.232 -12.972 -8.286 1.00 0.00 O ATOM 658 OD2 ASP A 45 -3.349 -12.605 -7.927 1.00 0.00 O ATOM 0 H ASP A 45 -1.865 -8.270 -8.841 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.021 -10.532 -10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.001 -10.416 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.730 -10.135 -7.760 1.00 0.00 H new ATOM 663 N ASN A 46 -4.274 -10.019 -10.412 1.00 0.00 N ATOM 664 CA ASN A 46 -5.543 -10.396 -11.079 1.00 0.00 C ATOM 665 C ASN A 46 -5.391 -10.461 -12.615 1.00 0.00 C ATOM 666 O ASN A 46 -5.914 -11.370 -13.268 1.00 0.00 O ATOM 667 CB ASN A 46 -6.653 -9.377 -10.688 1.00 0.00 C ATOM 668 CG ASN A 46 -8.024 -9.678 -11.324 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.825 -10.435 -10.774 1.00 0.00 O ATOM 670 ND2 ASN A 46 -8.305 -9.078 -12.479 1.00 0.00 N ATOM 0 H ASN A 46 -4.354 -9.188 -9.827 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.821 -11.394 -10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.760 -9.368 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.337 -8.377 -10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.204 -9.240 -12.932 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.621 -8.456 -12.910 1.00 0.00 H new ATOM 677 N ASN A 47 -4.638 -9.496 -13.160 1.00 0.00 N ATOM 678 CA ASN A 47 -4.521 -9.271 -14.610 1.00 0.00 C ATOM 679 C ASN A 47 -3.366 -10.084 -15.215 1.00 0.00 C ATOM 680 O ASN A 47 -3.418 -10.473 -16.392 1.00 0.00 O ATOM 681 CB ASN A 47 -4.318 -7.753 -14.859 1.00 0.00 C ATOM 682 CG ASN A 47 -5.498 -6.900 -14.359 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.657 -7.304 -14.442 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.210 -5.741 -13.793 1.00 0.00 N ATOM 0 H ASN A 47 -4.087 -8.843 -12.603 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.434 -9.608 -15.100 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.405 -7.427 -14.361 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.178 -7.581 -15.926 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.957 -5.160 -13.413 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.241 -5.428 -13.736 1.00 0.00 H new ATOM 691 N GLU A 48 -2.321 -10.339 -14.403 1.00 0.00 N ATOM 692 CA GLU A 48 -1.062 -10.958 -14.868 1.00 0.00 C ATOM 693 C GLU A 48 -0.898 -12.395 -14.356 1.00 0.00 C ATOM 694 O GLU A 48 -1.677 -12.859 -13.522 1.00 0.00 O ATOM 695 CB GLU A 48 0.129 -10.083 -14.415 1.00 0.00 C ATOM 696 CG GLU A 48 0.015 -8.601 -14.845 1.00 0.00 C ATOM 697 CD GLU A 48 1.304 -7.787 -14.691 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.360 -8.373 -14.382 1.00 0.00 O ATOM 699 OE2 GLU A 48 1.267 -6.547 -14.883 1.00 0.00 O ATOM 0 H GLU A 48 -2.325 -10.122 -13.406 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.092 -11.014 -15.956 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.211 -10.131 -13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.050 -10.500 -14.823 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.300 -8.563 -15.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.771 -8.126 -14.257 1.00 0.00 H new ATOM 706 N ASP A 49 0.132 -13.088 -14.876 1.00 0.00 N ATOM 707 CA ASP A 49 0.470 -14.473 -14.486 1.00 0.00 C ATOM 708 C ASP A 49 1.193 -14.501 -13.127 1.00 0.00 C ATOM 709 O ASP A 49 1.025 -15.446 -12.350 1.00 0.00 O ATOM 710 CB ASP A 49 1.369 -15.148 -15.562 1.00 0.00 C ATOM 711 CG ASP A 49 0.742 -15.172 -16.971 1.00 0.00 C ATOM 712 OD1 ASP A 49 -0.274 -15.868 -17.163 1.00 0.00 O ATOM 713 OD2 ASP A 49 1.269 -14.511 -17.896 1.00 0.00 O ATOM 0 H ASP A 49 0.758 -12.702 -15.583 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.465 -15.027 -14.403 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.322 -14.622 -15.608 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.584 -16.171 -15.253 1.00 0.00 H new ATOM 718 N HIS A 50 2.005 -13.461 -12.853 1.00 0.00 N ATOM 719 CA HIS A 50 2.821 -13.382 -11.616 1.00 0.00 C ATOM 720 C HIS A 50 2.227 -12.346 -10.640 1.00 0.00 C ATOM 721 O HIS A 50 1.471 -11.456 -11.047 1.00 0.00 O ATOM 722 CB HIS A 50 4.321 -13.087 -11.940 1.00 0.00 C ATOM 723 CG HIS A 50 4.616 -11.753 -12.593 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.592 -11.540 -13.945 1.00 0.00 N ATOM 725 CD2 HIS A 50 4.956 -10.555 -12.043 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.906 -10.259 -14.170 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.134 -9.601 -13.046 1.00 0.00 N ATOM 0 H HIS A 50 2.116 -12.658 -13.472 1.00 0.00 H new ATOM 0 HA HIS A 50 2.791 -14.354 -11.124 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.890 -13.147 -11.012 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.692 -13.877 -12.593 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.071 -10.370 -10.985 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.966 -9.815 -15.153 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.384 -8.618 -12.937 1.00 0.00 H new ATOM 735 N GLN A 51 2.567 -12.490 -9.348 1.00 0.00 N ATOM 736 CA GLN A 51 2.031 -11.675 -8.264 1.00 0.00 C ATOM 737 C GLN A 51 2.964 -10.497 -7.947 1.00 0.00 C ATOM 738 O GLN A 51 4.193 -10.627 -8.030 1.00 0.00 O ATOM 739 CB GLN A 51 1.852 -12.583 -7.016 1.00 0.00 C ATOM 740 CG GLN A 51 1.238 -11.879 -5.804 1.00 0.00 C ATOM 741 CD GLN A 51 0.974 -12.813 -4.620 1.00 0.00 C ATOM 742 OE1 GLN A 51 1.810 -12.971 -3.727 1.00 0.00 O ATOM 743 NE2 GLN A 51 -0.176 -13.469 -4.626 1.00 0.00 N ATOM 0 H GLN A 51 3.235 -13.192 -9.030 1.00 0.00 H new ATOM 0 HA GLN A 51 1.070 -11.255 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.222 -13.431 -7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.824 -12.986 -6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.905 -11.079 -5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.300 -11.411 -6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.847 -13.316 -5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.391 -14.127 -3.877 1.00 0.00 H new ATOM 752 N LEU A 52 2.360 -9.351 -7.595 1.00 0.00 N ATOM 753 CA LEU A 52 3.098 -8.172 -7.098 1.00 0.00 C ATOM 754 C LEU A 52 3.190 -8.276 -5.565 1.00 0.00 C ATOM 755 O LEU A 52 2.251 -8.742 -4.912 1.00 0.00 O ATOM 756 CB LEU A 52 2.383 -6.835 -7.500 1.00 0.00 C ATOM 757 CG LEU A 52 3.267 -5.643 -8.027 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.434 -4.341 -8.114 1.00 0.00 C ATOM 759 CD2 LEU A 52 4.551 -5.423 -7.200 1.00 0.00 C ATOM 0 H LEU A 52 1.351 -9.213 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 52 4.092 -8.157 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.649 -7.070 -8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.830 -6.479 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 52 3.596 -5.922 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.064 -3.530 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.598 -4.489 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.053 -4.086 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.113 -4.587 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.285 -5.202 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.163 -6.324 -7.232 1.00 0.00 H new ATOM 771 N ASP A 53 4.315 -7.833 -5.011 1.00 0.00 N ATOM 772 CA ASP A 53 4.505 -7.675 -3.563 1.00 0.00 C ATOM 773 C ASP A 53 4.693 -6.174 -3.286 1.00 0.00 C ATOM 774 O ASP A 53 5.385 -5.487 -4.049 1.00 0.00 O ATOM 775 CB ASP A 53 5.731 -8.505 -3.106 1.00 0.00 C ATOM 776 CG ASP A 53 5.883 -8.645 -1.579 1.00 0.00 C ATOM 777 OD1 ASP A 53 5.967 -7.621 -0.880 1.00 0.00 O ATOM 778 OD2 ASP A 53 5.903 -9.784 -1.063 1.00 0.00 O ATOM 0 H ASP A 53 5.134 -7.569 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 53 3.644 -8.040 -3.003 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.661 -9.501 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.634 -8.044 -3.506 1.00 0.00 H new ATOM 783 N ARG A 54 4.104 -5.669 -2.180 1.00 0.00 N ATOM 784 CA ARG A 54 4.091 -4.214 -1.891 1.00 0.00 C ATOM 785 C ARG A 54 5.478 -3.684 -1.434 1.00 0.00 C ATOM 786 O ARG A 54 5.679 -2.469 -1.323 1.00 0.00 O ATOM 787 CB ARG A 54 2.994 -3.846 -0.849 1.00 0.00 C ATOM 788 CG ARG A 54 3.267 -4.218 0.645 1.00 0.00 C ATOM 789 CD ARG A 54 2.675 -5.567 1.096 1.00 0.00 C ATOM 790 NE ARG A 54 3.546 -6.722 0.834 1.00 0.00 N ATOM 791 CZ ARG A 54 3.315 -7.960 1.305 1.00 0.00 C ATOM 792 NH1 ARG A 54 2.184 -8.254 1.935 1.00 0.00 N ATOM 793 NH2 ARG A 54 4.205 -8.908 1.127 1.00 0.00 N ATOM 0 H ARG A 54 3.635 -6.240 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 54 3.850 -3.720 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.825 -2.770 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.065 -4.330 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.345 -4.238 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.863 -3.430 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.464 -5.520 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.723 -5.721 0.589 1.00 0.00 H new ATOM 0 HE ARG A 54 4.376 -6.575 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.473 -7.535 2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.026 -9.199 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.073 -8.706 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.029 -9.847 1.485 1.00 0.00 H new ATOM 807 N PHE A 55 6.424 -4.602 -1.163 1.00 0.00 N ATOM 808 CA PHE A 55 7.813 -4.252 -0.811 1.00 0.00 C ATOM 809 C PHE A 55 8.685 -4.101 -2.077 1.00 0.00 C ATOM 810 O PHE A 55 9.723 -3.429 -2.040 1.00 0.00 O ATOM 811 CB PHE A 55 8.413 -5.324 0.143 1.00 0.00 C ATOM 812 CG PHE A 55 7.671 -5.455 1.483 1.00 0.00 C ATOM 813 CD1 PHE A 55 7.564 -4.366 2.343 1.00 0.00 C ATOM 814 CD2 PHE A 55 7.078 -6.657 1.878 1.00 0.00 C ATOM 815 CE1 PHE A 55 6.894 -4.469 3.549 1.00 0.00 C ATOM 816 CE2 PHE A 55 6.408 -6.760 3.082 1.00 0.00 C ATOM 817 CZ PHE A 55 6.317 -5.664 3.916 1.00 0.00 C ATOM 0 H PHE A 55 6.247 -5.606 -1.182 1.00 0.00 H new ATOM 0 HA PHE A 55 7.803 -3.292 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.404 -6.290 -0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.456 -5.077 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.012 -3.424 2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.144 -7.520 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.824 -3.612 4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.956 -7.697 3.370 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.793 -5.744 4.857 1.00 0.00 H new ATOM 827 N LYS A 56 8.250 -4.725 -3.197 1.00 0.00 N ATOM 828 CA LYS A 56 9.021 -4.726 -4.463 1.00 0.00 C ATOM 829 C LYS A 56 8.842 -3.418 -5.237 1.00 0.00 C ATOM 830 O LYS A 56 9.754 -3.009 -5.961 1.00 0.00 O ATOM 831 CB LYS A 56 8.632 -5.929 -5.367 1.00 0.00 C ATOM 832 CG LYS A 56 8.794 -7.311 -4.699 1.00 0.00 C ATOM 833 CD LYS A 56 10.208 -7.590 -4.144 1.00 0.00 C ATOM 834 CE LYS A 56 11.306 -7.641 -5.219 1.00 0.00 C ATOM 835 NZ LYS A 56 12.628 -7.987 -4.626 1.00 0.00 N ATOM 0 H LYS A 56 7.368 -5.235 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 56 10.071 -4.822 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.595 -5.811 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.243 -5.902 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.074 -7.394 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.543 -8.084 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.461 -6.817 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.195 -8.539 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.041 -8.378 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.372 -6.676 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.348 -8.014 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.890 -7.270 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.570 -8.919 -4.168 1.00 0.00 H new ATOM 849 N VAL A 57 7.658 -2.785 -5.113 1.00 0.00 N ATOM 850 CA VAL A 57 7.415 -1.452 -5.707 1.00 0.00 C ATOM 851 C VAL A 57 8.289 -0.397 -5.002 1.00 0.00 C ATOM 852 O VAL A 57 8.585 -0.527 -3.817 1.00 0.00 O ATOM 853 CB VAL A 57 5.892 -1.025 -5.660 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.027 -1.932 -6.553 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.340 -1.006 -4.222 1.00 0.00 C ATOM 0 H VAL A 57 6.859 -3.171 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 57 7.689 -1.515 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 57 5.842 -0.008 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.987 -1.612 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.373 -1.864 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.107 -2.964 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.292 -0.707 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.427 -2.001 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.910 -0.296 -3.623 1.00 0.00 H new ATOM 865 N LYS A 58 8.737 0.613 -5.756 1.00 0.00 N ATOM 866 CA LYS A 58 9.557 1.725 -5.223 1.00 0.00 C ATOM 867 C LYS A 58 8.861 3.043 -5.542 1.00 0.00 C ATOM 868 O LYS A 58 8.612 3.881 -4.664 1.00 0.00 O ATOM 869 CB LYS A 58 10.978 1.705 -5.854 1.00 0.00 C ATOM 870 CG LYS A 58 11.923 2.845 -5.384 1.00 0.00 C ATOM 871 CD LYS A 58 12.331 2.735 -3.890 1.00 0.00 C ATOM 872 CE LYS A 58 13.152 1.467 -3.591 1.00 0.00 C ATOM 873 NZ LYS A 58 14.391 1.393 -4.416 1.00 0.00 N ATOM 0 H LYS A 58 8.545 0.689 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 58 9.664 1.613 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.447 0.748 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.878 1.760 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.823 2.837 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.432 3.804 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.912 3.614 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.434 2.736 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.419 1.450 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.539 0.586 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.994 0.621 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.137 1.213 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.907 2.293 -4.349 1.00 0.00 H new ATOM 887 N GLU A 59 8.566 3.203 -6.834 1.00 0.00 N ATOM 888 CA GLU A 59 7.901 4.382 -7.372 1.00 0.00 C ATOM 889 C GLU A 59 6.386 4.220 -7.350 1.00 0.00 C ATOM 890 O GLU A 59 5.842 3.166 -6.987 1.00 0.00 O ATOM 891 CB GLU A 59 8.384 4.644 -8.820 1.00 0.00 C ATOM 892 CG GLU A 59 9.852 5.065 -8.917 1.00 0.00 C ATOM 893 CD GLU A 59 10.326 5.284 -10.365 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.585 4.282 -11.073 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.444 6.451 -10.794 1.00 0.00 O ATOM 0 H GLU A 59 8.788 2.504 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 59 8.159 5.234 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.235 3.740 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.763 5.422 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.997 5.985 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.474 4.301 -8.450 1.00 0.00 H new ATOM 902 N VAL A 60 5.736 5.296 -7.785 1.00 0.00 N ATOM 903 CA VAL A 60 4.281 5.467 -7.831 1.00 0.00 C ATOM 904 C VAL A 60 3.944 6.483 -8.956 1.00 0.00 C ATOM 905 O VAL A 60 4.849 6.988 -9.635 1.00 0.00 O ATOM 906 CB VAL A 60 3.724 6.002 -6.441 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.732 4.921 -5.326 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.518 7.250 -5.993 1.00 0.00 C ATOM 0 H VAL A 60 6.233 6.116 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 60 3.812 4.503 -8.031 1.00 0.00 H new ATOM 0 HB VAL A 60 2.680 6.272 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.341 5.348 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.109 4.080 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.753 4.575 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.127 7.607 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.570 6.990 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.417 8.034 -6.743 1.00 0.00 H new ATOM 918 N GLN A 61 2.643 6.769 -9.166 1.00 0.00 N ATOM 919 CA GLN A 61 2.195 7.912 -10.003 1.00 0.00 C ATOM 920 C GLN A 61 1.004 8.592 -9.322 1.00 0.00 C ATOM 921 O GLN A 61 0.230 7.941 -8.642 1.00 0.00 O ATOM 922 CB GLN A 61 1.843 7.477 -11.466 1.00 0.00 C ATOM 923 CG GLN A 61 0.524 6.698 -11.682 1.00 0.00 C ATOM 924 CD GLN A 61 -0.692 7.559 -12.057 1.00 0.00 C ATOM 925 OE1 GLN A 61 -1.463 7.965 -11.200 1.00 0.00 O ATOM 926 NE2 GLN A 61 -0.864 7.832 -13.338 1.00 0.00 N ATOM 0 H GLN A 61 1.878 6.225 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 61 3.019 8.620 -10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.809 8.374 -12.085 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.662 6.862 -11.840 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.682 5.959 -12.468 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.292 6.148 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.202 7.478 -14.028 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.659 8.397 -13.637 1.00 0.00 H new ATOM 935 N CYS A 62 0.865 9.895 -9.532 1.00 0.00 N ATOM 936 CA CYS A 62 -0.229 10.715 -8.958 1.00 0.00 C ATOM 937 C CYS A 62 -1.433 10.701 -9.905 1.00 0.00 C ATOM 938 O CYS A 62 -1.282 11.084 -11.056 1.00 0.00 O ATOM 939 CB CYS A 62 0.315 12.142 -8.765 1.00 0.00 C ATOM 940 SG CYS A 62 -0.882 13.489 -8.489 1.00 0.00 S ATOM 0 H CYS A 62 1.510 10.432 -10.111 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.562 10.317 -7.999 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.000 12.126 -7.917 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.905 12.396 -9.646 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.676 14.437 -9.354 1.00 0.00 H new ATOM 945 N ILE A 63 -2.617 10.240 -9.425 1.00 0.00 N ATOM 946 CA ILE A 63 -3.844 10.101 -10.262 1.00 0.00 C ATOM 947 C ILE A 63 -4.498 11.497 -10.390 1.00 0.00 C ATOM 948 O ILE A 63 -5.561 11.782 -9.819 1.00 0.00 O ATOM 949 CB ILE A 63 -4.872 9.043 -9.669 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.142 7.865 -8.951 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.791 8.486 -10.787 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.060 6.923 -8.181 1.00 0.00 C ATOM 0 H ILE A 63 -2.751 9.955 -8.455 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.560 9.721 -11.243 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.480 9.566 -8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.593 7.288 -9.695 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.406 8.278 -8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.487 7.764 -10.360 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.350 9.305 -11.240 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.183 7.997 -11.548 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.466 6.136 -7.715 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.591 7.482 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.781 6.476 -8.866 1.00 0.00 H new ATOM 964 N ASN A 64 -3.776 12.354 -11.111 1.00 0.00 N ATOM 965 CA ASN A 64 -3.966 13.806 -11.164 1.00 0.00 C ATOM 966 C ASN A 64 -2.979 14.388 -12.200 1.00 0.00 C ATOM 967 O ASN A 64 -3.371 15.118 -13.113 1.00 0.00 O ATOM 968 CB ASN A 64 -3.741 14.397 -9.727 1.00 0.00 C ATOM 969 CG ASN A 64 -3.241 15.851 -9.667 1.00 0.00 C ATOM 970 OD1 ASN A 64 -2.040 16.089 -9.707 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.125 16.810 -9.535 1.00 0.00 N ATOM 0 H ASN A 64 -3.006 12.042 -11.702 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.977 14.069 -11.475 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.681 14.334 -9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.023 13.765 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.818 17.780 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.120 16.586 -9.504 1.00 0.00 H new ATOM 978 N CYS A 65 -1.686 14.040 -12.035 1.00 0.00 N ATOM 979 CA CYS A 65 -0.591 14.478 -12.944 1.00 0.00 C ATOM 980 C CYS A 65 -0.215 13.376 -13.947 1.00 0.00 C ATOM 981 O CYS A 65 0.159 13.658 -15.089 1.00 0.00 O ATOM 982 CB CYS A 65 0.667 14.826 -12.121 1.00 0.00 C ATOM 983 SG CYS A 65 0.415 16.143 -10.922 1.00 0.00 S ATOM 0 H CYS A 65 -1.365 13.447 -11.269 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.951 15.350 -13.489 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.005 13.932 -11.598 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.466 15.117 -12.803 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.801 16.087 -10.465 1.00 0.00 H new ATOM 988 N GLU A 66 -0.315 12.123 -13.468 1.00 0.00 N ATOM 989 CA GLU A 66 0.238 10.913 -14.114 1.00 0.00 C ATOM 990 C GLU A 66 1.789 10.948 -14.128 1.00 0.00 C ATOM 991 O GLU A 66 2.436 10.225 -14.891 1.00 0.00 O ATOM 992 CB GLU A 66 -0.378 10.689 -15.535 1.00 0.00 C ATOM 993 CG GLU A 66 -1.920 10.547 -15.528 1.00 0.00 C ATOM 994 CD GLU A 66 -2.545 10.450 -16.931 1.00 0.00 C ATOM 995 OE1 GLU A 66 -2.591 9.339 -17.500 1.00 0.00 O ATOM 996 OE2 GLU A 66 -2.994 11.490 -17.467 1.00 0.00 O ATOM 0 H GLU A 66 -0.797 11.915 -12.594 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.050 10.047 -13.518 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.102 11.525 -16.177 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.059 9.792 -15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.190 9.658 -14.959 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.351 11.402 -15.007 1.00 0.00 H new ATOM 1003 N LYS A 67 2.366 11.783 -13.226 1.00 0.00 N ATOM 1004 CA LYS A 67 3.821 11.911 -13.034 1.00 0.00 C ATOM 1005 C LYS A 67 4.362 10.676 -12.303 1.00 0.00 C ATOM 1006 O LYS A 67 3.874 10.335 -11.217 1.00 0.00 O ATOM 1007 CB LYS A 67 4.163 13.209 -12.225 1.00 0.00 C ATOM 1008 CG LYS A 67 5.648 13.323 -11.771 1.00 0.00 C ATOM 1009 CD LYS A 67 6.019 14.659 -11.107 1.00 0.00 C ATOM 1010 CE LYS A 67 5.968 15.851 -12.071 1.00 0.00 C ATOM 1011 NZ LYS A 67 6.317 17.116 -11.377 1.00 0.00 N ATOM 0 H LYS A 67 1.824 12.388 -12.610 1.00 0.00 H new ATOM 0 HA LYS A 67 4.294 11.984 -14.013 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.917 14.077 -12.837 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.524 13.249 -11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.863 12.514 -11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.291 13.174 -12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.340 14.844 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.022 14.582 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.659 15.684 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.970 15.932 -12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.674 17.872 -11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.225 16.985 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.297 17.379 -11.606 1.00 0.00 H new ATOM 1025 N ILE A 68 5.378 10.032 -12.900 1.00 0.00 N ATOM 1026 CA ILE A 68 6.085 8.904 -12.285 1.00 0.00 C ATOM 1027 C ILE A 68 7.141 9.474 -11.338 1.00 0.00 C ATOM 1028 O ILE A 68 8.062 10.177 -11.767 1.00 0.00 O ATOM 1029 CB ILE A 68 6.762 7.975 -13.360 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.681 7.338 -14.289 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.651 6.886 -12.700 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.750 6.343 -13.607 1.00 0.00 C ATOM 0 H ILE A 68 5.730 10.282 -13.824 1.00 0.00 H new ATOM 0 HA ILE A 68 5.369 8.286 -11.744 1.00 0.00 H new ATOM 0 HB ILE A 68 7.418 8.594 -13.972 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.079 8.137 -14.722 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.184 6.835 -15.115 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.101 6.265 -13.475 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.437 7.363 -12.115 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.040 6.264 -12.046 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.036 5.956 -14.334 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.335 5.519 -13.199 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.213 6.842 -12.800 1.00 0.00 H new ATOM 1044 N GLN A 69 6.978 9.173 -10.056 1.00 0.00 N ATOM 1045 CA GLN A 69 7.779 9.747 -8.974 1.00 0.00 C ATOM 1046 C GLN A 69 7.978 8.698 -7.877 1.00 0.00 C ATOM 1047 O GLN A 69 7.226 7.730 -7.807 1.00 0.00 O ATOM 1048 CB GLN A 69 7.052 11.015 -8.434 1.00 0.00 C ATOM 1049 CG GLN A 69 5.601 10.757 -7.934 1.00 0.00 C ATOM 1050 CD GLN A 69 4.734 12.022 -7.776 1.00 0.00 C ATOM 1051 OE1 GLN A 69 5.340 13.154 -7.431 1.00 0.00 O flip ATOM 1052 NE2 GLN A 69 3.510 11.974 -7.947 1.00 0.00 N flip ATOM 0 H GLN A 69 6.274 8.511 -9.730 1.00 0.00 H new ATOM 0 HA GLN A 69 8.765 10.041 -9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.637 11.434 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.024 11.767 -9.223 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.107 10.080 -8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.649 10.245 -6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.066 11.095 -8.212 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.944 12.814 -7.824 1.00 0.00 H new ATOM 1061 N HIS A 70 9.006 8.878 -7.037 1.00 0.00 N ATOM 1062 CA HIS A 70 9.276 7.974 -5.896 1.00 0.00 C ATOM 1063 C HIS A 70 8.161 8.093 -4.830 1.00 0.00 C ATOM 1064 O HIS A 70 7.449 9.109 -4.784 1.00 0.00 O ATOM 1065 CB HIS A 70 10.669 8.275 -5.282 1.00 0.00 C ATOM 1066 CG HIS A 70 10.778 9.619 -4.596 1.00 0.00 C ATOM 1067 ND1 HIS A 70 10.763 9.773 -3.227 1.00 0.00 N ATOM 1068 CD2 HIS A 70 10.898 10.869 -5.101 1.00 0.00 C ATOM 1069 CE1 HIS A 70 10.859 11.051 -2.927 1.00 0.00 C ATOM 1070 NE2 HIS A 70 10.944 11.740 -4.043 1.00 0.00 N ATOM 0 H HIS A 70 9.672 9.646 -7.122 1.00 0.00 H new ATOM 0 HA HIS A 70 9.282 6.947 -6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.910 7.493 -4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.418 8.223 -6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.948 11.132 -6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.867 11.465 -1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.030 12.754 -4.111 1.00 0.00 H new ATOM 1079 N ALA A 71 8.018 7.049 -3.990 1.00 0.00 N ATOM 1080 CA ALA A 71 6.971 6.984 -2.946 1.00 0.00 C ATOM 1081 C ALA A 71 7.142 8.096 -1.875 1.00 0.00 C ATOM 1082 O ALA A 71 7.846 7.931 -0.875 1.00 0.00 O ATOM 1083 CB ALA A 71 6.955 5.588 -2.309 1.00 0.00 C ATOM 0 H ALA A 71 8.623 6.228 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 71 6.007 7.163 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.182 5.547 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.746 4.841 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.926 5.383 -1.858 1.00 0.00 H new ATOM 1089 N GLN A 72 6.512 9.241 -2.143 1.00 0.00 N ATOM 1090 CA GLN A 72 6.510 10.434 -1.266 1.00 0.00 C ATOM 1091 C GLN A 72 5.083 10.593 -0.682 1.00 0.00 C ATOM 1092 O GLN A 72 4.175 9.901 -1.134 1.00 0.00 O ATOM 1093 CB GLN A 72 6.978 11.656 -2.123 1.00 0.00 C ATOM 1094 CG GLN A 72 7.405 12.916 -1.339 1.00 0.00 C ATOM 1095 CD GLN A 72 8.233 13.907 -2.187 1.00 0.00 C ATOM 1096 OE1 GLN A 72 9.463 13.836 -2.221 1.00 0.00 O ATOM 1097 NE2 GLN A 72 7.573 14.814 -2.893 1.00 0.00 N ATOM 0 H GLN A 72 5.972 9.377 -2.997 1.00 0.00 H new ATOM 0 HA GLN A 72 7.195 10.348 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.816 11.338 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.168 11.931 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.515 13.423 -0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.989 12.615 -0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.555 14.853 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.083 15.473 -3.481 1.00 0.00 H new ATOM 1106 N GLN A 73 4.878 11.433 0.356 1.00 0.00 N ATOM 1107 CA GLN A 73 3.528 11.595 0.969 1.00 0.00 C ATOM 1108 C GLN A 73 2.715 12.682 0.247 1.00 0.00 C ATOM 1109 O GLN A 73 1.485 12.581 0.147 1.00 0.00 O ATOM 1110 CB GLN A 73 3.621 11.880 2.495 1.00 0.00 C ATOM 1111 CG GLN A 73 2.251 11.857 3.224 1.00 0.00 C ATOM 1112 CD GLN A 73 2.333 11.978 4.749 1.00 0.00 C ATOM 1113 OE1 GLN A 73 3.248 12.594 5.295 1.00 0.00 O ATOM 1114 NE2 GLN A 73 1.354 11.408 5.447 1.00 0.00 N ATOM 0 H GLN A 73 5.609 12.001 0.784 1.00 0.00 H new ATOM 0 HA GLN A 73 3.000 10.649 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.278 11.141 2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.085 12.855 2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.638 12.673 2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.738 10.928 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.610 10.904 4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.348 11.475 6.465 1.00 0.00 H new ATOM 1123 N THR A 74 3.399 13.701 -0.287 1.00 0.00 N ATOM 1124 CA THR A 74 2.751 14.794 -1.039 1.00 0.00 C ATOM 1125 C THR A 74 3.434 14.946 -2.405 1.00 0.00 C ATOM 1126 O THR A 74 4.647 14.788 -2.523 1.00 0.00 O ATOM 1127 CB THR A 74 2.804 16.158 -0.262 1.00 0.00 C ATOM 1128 OG1 THR A 74 2.487 15.938 1.123 1.00 0.00 O ATOM 1129 CG2 THR A 74 1.820 17.198 -0.843 1.00 0.00 C ATOM 0 H THR A 74 4.412 13.796 -0.213 1.00 0.00 H new ATOM 0 HA THR A 74 1.701 14.534 -1.169 1.00 0.00 H new ATOM 0 HB THR A 74 3.814 16.553 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.522 16.790 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.892 18.125 -0.274 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.070 17.392 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.803 16.811 -0.780 1.00 0.00 H new ATOM 1137 N CYS A 75 2.623 15.231 -3.422 1.00 0.00 N ATOM 1138 CA CYS A 75 3.062 15.451 -4.806 1.00 0.00 C ATOM 1139 C CYS A 75 3.516 16.899 -4.948 1.00 0.00 C ATOM 1140 O CYS A 75 2.726 17.807 -4.760 1.00 0.00 O ATOM 1141 CB CYS A 75 1.876 15.146 -5.724 1.00 0.00 C ATOM 1142 SG CYS A 75 2.216 15.046 -7.497 1.00 0.00 S ATOM 0 H CYS A 75 1.613 15.319 -3.307 1.00 0.00 H new ATOM 0 HA CYS A 75 3.897 14.804 -5.075 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.438 14.199 -5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 75 1.119 15.915 -5.567 1.00 0.00 H new ATOM 0 HG CYS A 75 1.860 16.157 -8.070 1.00 0.00 H new ATOM 1147 N GLU A 76 4.796 17.074 -5.245 1.00 0.00 N ATOM 1148 CA GLU A 76 5.480 18.377 -5.283 1.00 0.00 C ATOM 1149 C GLU A 76 4.787 19.418 -6.204 1.00 0.00 C ATOM 1150 O GLU A 76 4.628 20.569 -5.811 1.00 0.00 O ATOM 1151 CB GLU A 76 6.970 18.167 -5.708 1.00 0.00 C ATOM 1152 CG GLU A 76 7.196 17.640 -7.152 1.00 0.00 C ATOM 1153 CD GLU A 76 6.715 16.199 -7.396 1.00 0.00 C ATOM 1154 OE1 GLU A 76 7.451 15.255 -7.051 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.584 16.017 -7.901 1.00 0.00 O ATOM 0 H GLU A 76 5.413 16.295 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 76 5.430 18.795 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.495 19.116 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.431 17.468 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.683 18.302 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.260 17.697 -7.382 1.00 0.00 H new ATOM 1162 N GLU A 77 4.370 19.010 -7.417 1.00 0.00 N ATOM 1163 CA GLU A 77 3.978 19.968 -8.470 1.00 0.00 C ATOM 1164 C GLU A 77 2.491 20.447 -8.347 1.00 0.00 C ATOM 1165 O GLU A 77 2.132 21.488 -8.902 1.00 0.00 O ATOM 1166 CB GLU A 77 4.302 19.354 -9.881 1.00 0.00 C ATOM 1167 CG GLU A 77 3.204 18.505 -10.544 1.00 0.00 C ATOM 1168 CD GLU A 77 2.856 17.242 -9.761 1.00 0.00 C ATOM 1169 OE1 GLU A 77 2.019 17.311 -8.849 1.00 0.00 O ATOM 1170 OE2 GLU A 77 3.386 16.166 -10.061 1.00 0.00 O ATOM 0 H GLU A 77 4.296 18.031 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 77 4.568 20.875 -8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.552 20.172 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.195 18.737 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.306 19.112 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.528 18.224 -11.546 1.00 0.00 H new ATOM 1177 N CYS A 78 1.633 19.677 -7.619 1.00 0.00 N ATOM 1178 CA CYS A 78 0.168 19.978 -7.465 1.00 0.00 C ATOM 1179 C CYS A 78 -0.249 20.019 -5.982 1.00 0.00 C ATOM 1180 O CYS A 78 -1.380 20.423 -5.676 1.00 0.00 O ATOM 1181 CB CYS A 78 -0.732 18.942 -8.213 1.00 0.00 C ATOM 1182 SG CYS A 78 -0.813 17.279 -7.458 1.00 0.00 S ATOM 0 H CYS A 78 1.928 18.836 -7.124 1.00 0.00 H new ATOM 0 HA CYS A 78 0.018 20.960 -7.913 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.743 19.343 -8.275 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.367 18.840 -9.235 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.382 16.454 -8.286 1.00 0.00 H new ATOM 1187 N SER A 79 0.658 19.578 -5.073 1.00 0.00 N ATOM 1188 CA SER A 79 0.428 19.554 -3.611 1.00 0.00 C ATOM 1189 C SER A 79 -0.757 18.622 -3.234 1.00 0.00 C ATOM 1190 O SER A 79 -1.486 18.870 -2.265 1.00 0.00 O ATOM 1191 CB SER A 79 0.254 21.004 -3.075 1.00 0.00 C ATOM 1192 OG SER A 79 0.183 21.051 -1.661 1.00 0.00 O ATOM 0 H SER A 79 1.577 19.226 -5.340 1.00 0.00 H new ATOM 0 HA SER A 79 1.305 19.129 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.089 21.617 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.653 21.438 -3.496 1.00 0.00 H new ATOM 0 HG SER A 79 -0.353 20.298 -1.335 1.00 0.00 H new ATOM 1198 N THR A 80 -0.916 17.511 -3.995 1.00 0.00 N ATOM 1199 CA THR A 80 -1.984 16.518 -3.749 1.00 0.00 C ATOM 1200 C THR A 80 -1.439 15.376 -2.877 1.00 0.00 C ATOM 1201 O THR A 80 -0.343 14.857 -3.130 1.00 0.00 O ATOM 1202 CB THR A 80 -2.585 15.964 -5.089 1.00 0.00 C ATOM 1203 OG1 THR A 80 -3.173 17.052 -5.823 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.651 14.864 -4.875 1.00 0.00 C ATOM 0 H THR A 80 -0.314 17.282 -4.786 1.00 0.00 H new ATOM 0 HA THR A 80 -2.796 17.015 -3.219 1.00 0.00 H new ATOM 0 HB THR A 80 -1.764 15.507 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.570 17.321 -6.547 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.024 14.526 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.205 14.023 -4.344 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.476 15.267 -4.288 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.219 15.011 -1.851 1.00 0.00 N ATOM 1213 CA LEU A 81 -1.860 13.985 -0.874 1.00 0.00 C ATOM 1214 C LEU A 81 -2.032 12.569 -1.468 1.00 0.00 C ATOM 1215 O LEU A 81 -2.987 12.310 -2.217 1.00 0.00 O ATOM 1216 CB LEU A 81 -2.745 14.159 0.387 1.00 0.00 C ATOM 1217 CG LEU A 81 -2.425 13.232 1.596 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.000 13.481 2.140 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -3.482 13.391 2.706 1.00 0.00 C ATOM 0 H LEU A 81 -3.132 15.430 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.811 14.101 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.664 15.194 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.784 13.997 0.099 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.462 12.202 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.811 12.817 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.271 13.285 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.911 14.517 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.236 12.733 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.494 14.425 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.464 13.128 2.313 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.088 11.674 -1.138 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.132 10.260 -1.550 1.00 0.00 C ATOM 1233 C PHE A 82 -2.079 9.487 -0.625 1.00 0.00 C ATOM 1234 O PHE A 82 -2.848 8.657 -1.078 1.00 0.00 O ATOM 1235 CB PHE A 82 0.291 9.626 -1.521 1.00 0.00 C ATOM 1236 CG PHE A 82 1.272 10.155 -2.579 1.00 0.00 C ATOM 1237 CD1 PHE A 82 1.331 11.507 -2.908 1.00 0.00 C ATOM 1238 CD2 PHE A 82 2.151 9.293 -3.236 1.00 0.00 C ATOM 1239 CE1 PHE A 82 2.223 11.976 -3.840 1.00 0.00 C ATOM 1240 CE2 PHE A 82 3.046 9.777 -4.171 1.00 0.00 C ATOM 1241 CZ PHE A 82 3.081 11.115 -4.474 1.00 0.00 C ATOM 0 H PHE A 82 -0.270 11.910 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.502 10.205 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.724 9.792 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.192 8.548 -1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.662 12.200 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.132 8.237 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.249 13.030 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.723 9.097 -4.667 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.780 11.488 -5.208 1.00 0.00 H new ATOM 1251 N GLY A 83 -1.995 9.789 0.677 1.00 0.00 N ATOM 1252 CA GLY A 83 -2.861 9.184 1.690 1.00 0.00 C ATOM 1253 C GLY A 83 -2.621 9.799 3.056 1.00 0.00 C ATOM 1254 O GLY A 83 -1.492 10.234 3.338 1.00 0.00 O ATOM 0 H GLY A 83 -1.325 10.459 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.905 9.318 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.678 8.110 1.734 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.684 9.860 3.895 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.591 10.357 5.286 1.00 0.00 C ATOM 1260 C GLU A 84 -2.507 9.574 6.041 1.00 0.00 C ATOM 1261 O GLU A 84 -1.617 10.149 6.674 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.941 10.167 6.011 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.153 10.887 5.389 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.109 12.419 5.520 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -5.981 12.920 6.656 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.222 13.126 4.499 1.00 0.00 O ATOM 0 H GLU A 84 -4.624 9.567 3.627 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.338 11.417 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.160 9.100 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.829 10.510 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.215 10.625 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.063 10.519 5.862 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.623 8.248 5.933 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.643 7.297 6.428 1.00 0.00 C ATOM 1275 C TYR A 85 -0.572 7.045 5.343 1.00 0.00 C ATOM 1276 O TYR A 85 -0.895 6.737 4.184 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.342 5.971 6.836 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.366 4.859 7.252 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.453 5.067 8.288 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.334 3.625 6.592 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.445 4.087 8.653 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.435 2.642 6.958 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.452 2.876 7.990 1.00 0.00 C ATOM 1284 OH TYR A 85 1.351 1.895 8.358 1.00 0.00 O ATOM 0 H TYR A 85 -3.424 7.802 5.486 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.154 7.707 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.025 6.170 7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.946 5.618 6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.450 6.011 8.812 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.024 3.438 5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.143 4.266 9.457 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.426 1.695 6.439 1.00 0.00 H new ATOM 0 HH TYR A 85 1.113 1.052 7.918 1.00 0.00 H new ATOM 1294 N TYR A 86 0.694 7.197 5.747 1.00 0.00 N ATOM 1295 CA TYR A 86 1.876 6.937 4.917 1.00 0.00 C ATOM 1296 C TYR A 86 2.697 5.822 5.580 1.00 0.00 C ATOM 1297 O TYR A 86 2.836 5.802 6.808 1.00 0.00 O ATOM 1298 CB TYR A 86 2.706 8.247 4.790 1.00 0.00 C ATOM 1299 CG TYR A 86 4.055 8.137 4.039 1.00 0.00 C ATOM 1300 CD1 TYR A 86 4.135 8.284 2.653 1.00 0.00 C ATOM 1301 CD2 TYR A 86 5.256 7.904 4.727 1.00 0.00 C ATOM 1302 CE1 TYR A 86 5.349 8.201 1.988 1.00 0.00 C ATOM 1303 CE2 TYR A 86 6.462 7.824 4.064 1.00 0.00 C ATOM 1304 CZ TYR A 86 6.505 7.974 2.698 1.00 0.00 C ATOM 1305 OH TYR A 86 7.710 7.895 2.036 1.00 0.00 O ATOM 0 H TYR A 86 0.932 7.513 6.687 1.00 0.00 H new ATOM 0 HA TYR A 86 1.589 6.617 3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.093 8.992 4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.903 8.625 5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.233 8.466 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.235 7.785 5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.387 8.314 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.372 7.644 4.617 1.00 0.00 H new ATOM 0 HH TYR A 86 7.554 7.921 1.069 1.00 0.00 H new ATOM 1315 N CYS A 87 3.216 4.887 4.767 1.00 0.00 N ATOM 1316 CA CYS A 87 4.161 3.850 5.224 1.00 0.00 C ATOM 1317 C CYS A 87 5.114 3.550 4.061 1.00 0.00 C ATOM 1318 O CYS A 87 4.681 3.014 3.035 1.00 0.00 O ATOM 1319 CB CYS A 87 3.398 2.573 5.678 1.00 0.00 C ATOM 1320 SG CYS A 87 4.284 1.550 6.896 1.00 0.00 S ATOM 0 H CYS A 87 2.993 4.827 3.773 1.00 0.00 H new ATOM 0 HA CYS A 87 4.728 4.199 6.087 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.439 2.871 6.103 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.182 1.964 4.800 1.00 0.00 H new ATOM 0 HG CYS A 87 4.419 0.343 6.433 1.00 0.00 H new ATOM 1325 N ASP A 88 6.404 3.882 4.231 1.00 0.00 N ATOM 1326 CA ASP A 88 7.375 3.949 3.114 1.00 0.00 C ATOM 1327 C ASP A 88 7.844 2.562 2.655 1.00 0.00 C ATOM 1328 O ASP A 88 7.950 2.316 1.451 1.00 0.00 O ATOM 1329 CB ASP A 88 8.585 4.847 3.492 1.00 0.00 C ATOM 1330 CG ASP A 88 9.351 4.381 4.739 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.876 4.636 5.865 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.432 3.766 4.603 1.00 0.00 O ATOM 0 H ASP A 88 6.807 4.111 5.140 1.00 0.00 H new ATOM 0 HA ASP A 88 6.855 4.399 2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.274 4.882 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.230 5.864 3.657 1.00 0.00 H new ATOM 1337 N ILE A 89 8.090 1.651 3.617 1.00 0.00 N ATOM 1338 CA ILE A 89 8.632 0.303 3.328 1.00 0.00 C ATOM 1339 C ILE A 89 7.556 -0.564 2.649 1.00 0.00 C ATOM 1340 O ILE A 89 7.833 -1.289 1.690 1.00 0.00 O ATOM 1341 CB ILE A 89 9.152 -0.412 4.635 1.00 0.00 C ATOM 1342 CG1 ILE A 89 10.173 0.494 5.391 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.775 -1.801 4.326 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.645 -0.038 6.734 1.00 0.00 C ATOM 0 H ILE A 89 7.921 1.823 4.608 1.00 0.00 H new ATOM 0 HA ILE A 89 9.481 0.426 2.655 1.00 0.00 H new ATOM 0 HB ILE A 89 8.289 -0.578 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.043 0.643 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.719 1.473 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.120 -2.259 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.025 -2.441 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.618 -1.679 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.351 0.665 7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.789 -0.159 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.134 -1.002 6.592 1.00 0.00 H new ATOM 1356 N CYS A 90 6.312 -0.457 3.155 1.00 0.00 N ATOM 1357 CA CYS A 90 5.164 -1.197 2.611 1.00 0.00 C ATOM 1358 C CYS A 90 4.633 -0.511 1.347 1.00 0.00 C ATOM 1359 O CYS A 90 3.907 -1.124 0.575 1.00 0.00 O ATOM 1360 CB CYS A 90 4.042 -1.278 3.655 1.00 0.00 C ATOM 1361 SG CYS A 90 4.536 -1.910 5.277 1.00 0.00 S ATOM 0 H CYS A 90 6.079 0.142 3.947 1.00 0.00 H new ATOM 0 HA CYS A 90 5.496 -2.204 2.358 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.618 -0.283 3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.249 -1.914 3.262 1.00 0.00 H new ATOM 0 HG CYS A 90 3.594 -1.671 6.141 1.00 0.00 H new ATOM 1366 N HIS A 91 4.940 0.803 1.203 1.00 0.00 N ATOM 1367 CA HIS A 91 4.533 1.638 0.042 1.00 0.00 C ATOM 1368 C HIS A 91 2.998 1.828 -0.063 1.00 0.00 C ATOM 1369 O HIS A 91 2.525 2.553 -0.951 1.00 0.00 O ATOM 1370 CB HIS A 91 5.105 1.065 -1.283 1.00 0.00 C ATOM 1371 CG HIS A 91 6.610 1.058 -1.363 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.393 0.099 -0.759 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.470 1.921 -1.952 1.00 0.00 C ATOM 1374 CE1 HIS A 91 8.666 0.375 -0.964 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.741 1.475 -1.688 1.00 0.00 N ATOM 0 H HIS A 91 5.482 1.319 1.896 1.00 0.00 H new ATOM 0 HA HIS A 91 4.959 2.627 0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.742 0.045 -1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.712 1.648 -2.116 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.042 -0.702 -0.234 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.205 2.798 -2.524 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.504 -0.201 -0.601 1.00 0.00 H new ATOM 1384 N LEU A 92 2.227 1.210 0.859 1.00 0.00 N ATOM 1385 CA LEU A 92 0.761 1.266 0.835 1.00 0.00 C ATOM 1386 C LEU A 92 0.321 2.536 1.570 1.00 0.00 C ATOM 1387 O LEU A 92 0.724 2.780 2.722 1.00 0.00 O ATOM 1388 CB LEU A 92 0.126 -0.045 1.421 1.00 0.00 C ATOM 1389 CG LEU A 92 0.347 -0.380 2.952 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.776 0.199 3.861 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.490 -1.903 3.178 1.00 0.00 C ATOM 0 H LEU A 92 2.607 0.664 1.632 1.00 0.00 H new ATOM 0 HA LEU A 92 0.398 1.318 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.949 0.001 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.508 -0.885 0.841 1.00 0.00 H new ATOM 0 HG LEU A 92 1.279 0.107 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.573 -0.061 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.805 1.284 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.737 -0.220 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.641 -2.101 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.415 -2.408 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.345 -2.276 2.615 1.00 0.00 H new ATOM 1403 N PHE A 93 -0.407 3.393 0.852 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.924 4.667 1.373 1.00 0.00 C ATOM 1405 C PHE A 93 -2.450 4.584 1.338 1.00 0.00 C ATOM 1406 O PHE A 93 -3.011 3.971 0.423 1.00 0.00 O ATOM 1407 CB PHE A 93 -0.393 5.872 0.527 1.00 0.00 C ATOM 1408 CG PHE A 93 1.129 5.855 0.272 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.025 5.425 1.258 1.00 0.00 C ATOM 1410 CD2 PHE A 93 1.655 6.245 -0.959 1.00 0.00 C ATOM 1411 CE1 PHE A 93 3.380 5.384 1.015 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.016 6.206 -1.200 1.00 0.00 C ATOM 1413 CZ PHE A 93 3.877 5.777 -0.212 1.00 0.00 C ATOM 0 H PHE A 93 -0.659 3.223 -0.121 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.582 4.835 2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.909 5.881 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.653 6.800 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.648 5.121 2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.988 6.583 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.055 5.044 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.404 6.511 -2.161 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.940 5.748 -0.398 1.00 0.00 H new ATOM 1423 N ASP A 94 -3.104 5.161 2.339 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.561 5.028 2.521 1.00 0.00 C ATOM 1425 C ASP A 94 -5.056 6.148 3.448 1.00 0.00 C ATOM 1426 O ASP A 94 -4.249 6.909 3.985 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.865 3.603 3.097 1.00 0.00 C ATOM 1428 CG ASP A 94 -6.362 3.287 3.283 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -7.070 3.057 2.283 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -6.845 3.302 4.431 1.00 0.00 O ATOM 0 H ASP A 94 -2.650 5.734 3.050 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.089 5.129 1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.431 2.857 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.364 3.501 4.060 1.00 0.00 H new ATOM 1435 N LYS A 95 -6.381 6.272 3.596 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.999 7.133 4.624 1.00 0.00 C ATOM 1437 C LYS A 95 -6.618 6.646 6.039 1.00 0.00 C ATOM 1438 O LYS A 95 -6.364 5.460 6.243 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.535 7.104 4.484 1.00 0.00 C ATOM 1440 CG LYS A 95 -9.085 7.633 3.145 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.617 7.445 3.025 1.00 0.00 C ATOM 1442 CE LYS A 95 -11.412 8.197 4.105 1.00 0.00 C ATOM 1443 NZ LYS A 95 -12.874 7.961 3.981 1.00 0.00 N ATOM 0 H LYS A 95 -7.057 5.782 3.010 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.633 8.150 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.876 6.077 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.968 7.692 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.842 8.691 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.592 7.115 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.941 7.786 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.851 6.382 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.075 7.879 5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.209 9.265 4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.375 8.485 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.201 8.288 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.071 6.945 4.080 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.604 7.560 7.016 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.337 7.202 8.413 1.00 0.00 C ATOM 1459 C ASP A 96 -7.642 6.655 9.021 1.00 0.00 C ATOM 1460 O ASP A 96 -8.609 7.400 9.215 1.00 0.00 O ATOM 1461 CB ASP A 96 -5.811 8.431 9.195 1.00 0.00 C ATOM 1462 CG ASP A 96 -5.467 8.109 10.655 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -4.482 7.375 10.888 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -6.180 8.570 11.575 1.00 0.00 O ATOM 0 H ASP A 96 -6.775 8.554 6.864 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.563 6.437 8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.924 8.820 8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.563 9.220 9.170 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.655 5.345 9.283 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.847 4.599 9.725 1.00 0.00 C ATOM 1471 C LYS A 97 -8.571 3.986 11.112 1.00 0.00 C ATOM 1472 O LYS A 97 -8.695 4.680 12.130 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.221 3.526 8.646 1.00 0.00 C ATOM 1474 CG LYS A 97 -9.649 4.107 7.271 1.00 0.00 C ATOM 1475 CD LYS A 97 -9.648 3.046 6.145 1.00 0.00 C ATOM 1476 CE LYS A 97 -10.149 3.589 4.789 1.00 0.00 C ATOM 1477 NZ LYS A 97 -9.759 2.704 3.656 1.00 0.00 N ATOM 0 H LYS A 97 -6.825 4.759 9.194 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.707 5.261 9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.365 2.868 8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.033 2.910 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.647 4.537 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.975 4.919 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.636 2.659 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.275 2.207 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.234 3.687 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.743 4.587 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.010 3.161 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.733 2.535 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.262 1.797 3.735 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.165 2.695 11.153 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.828 1.972 12.403 1.00 0.00 C ATOM 1493 C LYS A 98 -6.576 1.088 12.217 1.00 0.00 C ATOM 1494 O LYS A 98 -6.153 0.403 13.160 1.00 0.00 O ATOM 1495 CB LYS A 98 -9.034 1.114 12.860 1.00 0.00 C ATOM 1496 CG LYS A 98 -10.248 1.948 13.262 1.00 0.00 C ATOM 1497 CD LYS A 98 -11.496 1.122 13.594 1.00 0.00 C ATOM 1498 CE LYS A 98 -12.708 2.030 13.750 1.00 0.00 C ATOM 1499 NZ LYS A 98 -13.950 1.283 14.088 1.00 0.00 N ATOM 0 H LYS A 98 -8.061 2.122 10.315 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.603 2.709 13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.317 0.438 12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.732 0.494 13.704 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.987 2.555 14.129 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.487 2.636 12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.679 0.394 12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.334 0.560 14.514 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.508 2.764 14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.863 2.583 12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.742 1.951 14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.161 0.600 13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.816 0.776 14.986 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.980 1.145 11.002 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.851 0.284 10.598 1.00 0.00 C ATOM 1515 C GLN A 99 -3.587 0.573 11.430 1.00 0.00 C ATOM 1516 O GLN A 99 -3.273 1.736 11.731 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.531 0.419 9.072 1.00 0.00 C ATOM 1518 CG GLN A 99 -4.007 1.794 8.577 1.00 0.00 C ATOM 1519 CD GLN A 99 -5.062 2.908 8.567 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -5.232 3.634 9.548 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -5.787 3.035 7.463 1.00 0.00 N ATOM 0 H GLN A 99 -6.274 1.795 10.273 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.163 -0.743 10.791 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.790 -0.338 8.814 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.437 0.182 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.176 2.103 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.611 1.676 7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.620 2.417 6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.512 3.751 7.408 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.869 -0.500 11.790 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.629 -0.430 12.577 1.00 0.00 C ATOM 1532 C TYR A 100 -0.514 -1.197 11.840 1.00 0.00 C ATOM 1533 O TYR A 100 -0.764 -2.267 11.255 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.856 -1.002 14.010 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.109 -2.526 14.091 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.306 -3.099 13.636 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.136 -3.396 14.605 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -3.518 -4.460 13.711 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -1.352 -4.755 14.679 1.00 0.00 C ATOM 1540 CZ TYR A 100 -2.538 -5.284 14.229 1.00 0.00 C ATOM 1541 OH TYR A 100 -2.748 -6.643 14.310 1.00 0.00 O ATOM 0 H TYR A 100 -3.136 -1.452 11.540 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.326 0.611 12.685 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.984 -0.764 14.619 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.706 -0.487 14.457 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.074 -2.464 13.220 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.196 -2.991 14.951 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.450 -4.881 13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.591 -5.403 15.089 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.460 -6.902 13.689 1.00 0.00 H new ATOM 1551 N HIS A 101 0.706 -0.627 11.815 1.00 0.00 N ATOM 1552 CA HIS A 101 1.897 -1.320 11.300 1.00 0.00 C ATOM 1553 C HIS A 101 2.518 -2.157 12.423 1.00 0.00 C ATOM 1554 O HIS A 101 3.086 -1.620 13.382 1.00 0.00 O ATOM 1555 CB HIS A 101 2.934 -0.339 10.652 1.00 0.00 C ATOM 1556 CG HIS A 101 4.195 -1.031 10.145 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.311 -1.562 8.852 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.307 -1.367 10.855 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.471 -2.204 8.873 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.097 -2.109 10.044 1.00 0.00 N ATOM 0 H HIS A 101 0.891 0.319 12.149 1.00 0.00 H new ATOM 0 HA HIS A 101 1.587 -1.984 10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.458 0.184 9.822 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.214 0.417 11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.520 -1.092 11.878 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.867 -2.748 8.028 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.000 -2.518 10.284 1.00 0.00 H new ATOM 1568 N CYS A 102 2.346 -3.473 12.302 1.00 0.00 N ATOM 1569 CA CYS A 102 3.016 -4.453 13.151 1.00 0.00 C ATOM 1570 C CYS A 102 4.434 -4.683 12.625 1.00 0.00 C ATOM 1571 O CYS A 102 4.597 -5.149 11.492 1.00 0.00 O ATOM 1572 CB CYS A 102 2.244 -5.773 13.130 1.00 0.00 C ATOM 1573 SG CYS A 102 2.989 -7.092 14.130 1.00 0.00 S ATOM 0 H CYS A 102 1.731 -3.891 11.604 1.00 0.00 H new ATOM 0 HA CYS A 102 3.056 -4.080 14.175 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.230 -5.593 13.486 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.164 -6.117 12.099 1.00 0.00 H new ATOM 0 HG CYS A 102 2.881 -8.226 13.503 1.00 0.00 H new ATOM 1578 N GLU A 103 5.446 -4.335 13.433 1.00 0.00 N ATOM 1579 CA GLU A 103 6.859 -4.514 13.069 1.00 0.00 C ATOM 1580 C GLU A 103 7.266 -6.002 13.139 1.00 0.00 C ATOM 1581 O GLU A 103 8.132 -6.436 12.381 1.00 0.00 O ATOM 1582 CB GLU A 103 7.769 -3.654 13.974 1.00 0.00 C ATOM 1583 CG GLU A 103 7.484 -2.141 13.909 1.00 0.00 C ATOM 1584 CD GLU A 103 8.471 -1.314 14.748 1.00 0.00 C ATOM 1585 OE1 GLU A 103 9.561 -0.975 14.237 1.00 0.00 O ATOM 1586 OE2 GLU A 103 8.182 -1.036 15.933 1.00 0.00 O ATOM 0 H GLU A 103 5.308 -3.922 14.356 1.00 0.00 H new ATOM 0 HA GLU A 103 6.986 -4.180 12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.656 -3.989 15.005 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.808 -3.828 13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.531 -1.811 12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.469 -1.951 14.258 1.00 0.00 H new ATOM 1593 N ASN A 104 6.615 -6.775 14.039 1.00 0.00 N ATOM 1594 CA ASN A 104 6.858 -8.234 14.179 1.00 0.00 C ATOM 1595 C ASN A 104 6.499 -8.996 12.877 1.00 0.00 C ATOM 1596 O ASN A 104 7.261 -9.848 12.418 1.00 0.00 O ATOM 1597 CB ASN A 104 6.068 -8.821 15.385 1.00 0.00 C ATOM 1598 CG ASN A 104 6.601 -8.385 16.760 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.167 -7.385 17.329 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.537 -9.143 17.306 1.00 0.00 N ATOM 0 H ASN A 104 5.913 -6.412 14.684 1.00 0.00 H new ATOM 0 HA ASN A 104 7.923 -8.368 14.367 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.023 -8.521 15.301 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.093 -9.909 15.326 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.917 -8.904 18.222 1.00 0.00 H new ATOM 0 HD22 ASN A 104 7.879 -9.967 16.811 1.00 0.00 H new ATOM 1607 N CYS A 105 5.326 -8.672 12.293 1.00 0.00 N ATOM 1608 CA CYS A 105 4.892 -9.239 10.987 1.00 0.00 C ATOM 1609 C CYS A 105 5.556 -8.484 9.821 1.00 0.00 C ATOM 1610 O CYS A 105 5.710 -9.025 8.724 1.00 0.00 O ATOM 1611 CB CYS A 105 3.353 -9.194 10.851 1.00 0.00 C ATOM 1612 SG CYS A 105 2.457 -10.212 12.068 1.00 0.00 S ATOM 0 H CYS A 105 4.657 -8.020 12.702 1.00 0.00 H new ATOM 0 HA CYS A 105 5.208 -10.282 10.950 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.022 -8.160 10.948 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.080 -9.524 9.849 1.00 0.00 H new ATOM 0 HG CYS A 105 1.524 -9.499 12.627 1.00 0.00 H new ATOM 1617 N GLY A 106 5.910 -7.216 10.074 1.00 0.00 N ATOM 1618 CA GLY A 106 6.629 -6.384 9.098 1.00 0.00 C ATOM 1619 C GLY A 106 5.710 -5.679 8.106 1.00 0.00 C ATOM 1620 O GLY A 106 6.182 -5.008 7.183 1.00 0.00 O ATOM 0 H GLY A 106 5.708 -6.741 10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.216 -5.637 9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.333 -7.009 8.548 1.00 0.00 H new ATOM 1624 N ILE A 107 4.383 -5.805 8.317 1.00 0.00 N ATOM 1625 CA ILE A 107 3.353 -5.267 7.401 1.00 0.00 C ATOM 1626 C ILE A 107 2.326 -4.418 8.173 1.00 0.00 C ATOM 1627 O ILE A 107 2.359 -4.324 9.411 1.00 0.00 O ATOM 1628 CB ILE A 107 2.578 -6.420 6.633 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.864 -7.389 7.645 1.00 0.00 C ATOM 1630 CG2 ILE A 107 3.517 -7.200 5.674 1.00 0.00 C ATOM 1631 CD1 ILE A 107 0.881 -8.359 7.004 1.00 0.00 C ATOM 0 H ILE A 107 3.994 -6.284 9.129 1.00 0.00 H new ATOM 0 HA ILE A 107 3.879 -4.650 6.672 1.00 0.00 H new ATOM 0 HB ILE A 107 1.810 -5.948 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.623 -7.961 8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.334 -6.792 8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.951 -7.981 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.933 -6.515 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.327 -7.653 6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.436 -8.988 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.097 -7.799 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.406 -8.985 6.283 1.00 0.00 H new ATOM 1643 N CYS A 108 1.410 -3.810 7.407 1.00 0.00 N ATOM 1644 CA CYS A 108 0.192 -3.175 7.922 1.00 0.00 C ATOM 1645 C CYS A 108 -0.946 -3.432 6.942 1.00 0.00 C ATOM 1646 O CYS A 108 -0.735 -3.492 5.725 1.00 0.00 O ATOM 1647 CB CYS A 108 0.387 -1.663 8.146 1.00 0.00 C ATOM 1648 SG CYS A 108 1.262 -0.807 6.826 1.00 0.00 S ATOM 0 H CYS A 108 1.498 -3.745 6.393 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.048 -3.609 8.893 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.592 -1.200 8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.932 -1.516 9.078 1.00 0.00 H new ATOM 0 HG CYS A 108 2.309 -0.212 7.314 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.140 -3.583 7.494 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.369 -3.854 6.737 1.00 0.00 C ATOM 1655 C ARG A 109 -4.501 -3.155 7.498 1.00 0.00 C ATOM 1656 O ARG A 109 -4.366 -2.928 8.713 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.568 -5.412 6.615 1.00 0.00 C ATOM 1658 CG ARG A 109 -4.533 -5.914 5.496 1.00 0.00 C ATOM 1659 CD ARG A 109 -6.029 -5.833 5.857 1.00 0.00 C ATOM 1660 NE ARG A 109 -6.905 -6.163 4.716 1.00 0.00 N ATOM 1661 CZ ARG A 109 -8.185 -5.764 4.576 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -8.787 -5.042 5.517 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -8.865 -6.097 3.491 1.00 0.00 N ATOM 0 H ARG A 109 -2.293 -3.521 8.501 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.338 -3.473 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -2.591 -5.867 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.935 -5.783 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.358 -5.328 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.285 -6.948 5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.238 -6.516 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.260 -4.828 6.210 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.510 -6.740 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.279 -4.781 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.756 -4.749 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.421 -6.655 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.834 -5.796 3.384 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.595 -2.786 6.788 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.774 -2.157 7.420 1.00 0.00 C ATOM 1679 C ILE A 110 -7.335 -3.132 8.478 1.00 0.00 C ATOM 1680 O ILE A 110 -7.978 -4.130 8.139 1.00 0.00 O ATOM 1681 CB ILE A 110 -7.890 -1.770 6.365 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.272 -1.020 5.133 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.020 -0.935 7.031 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -6.480 0.231 5.473 1.00 0.00 C ATOM 0 H ILE A 110 -5.682 -2.914 5.780 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.463 -1.224 7.889 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.335 -2.693 5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.620 -1.710 4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.078 -0.747 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.774 -0.682 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.480 -1.517 7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.599 -0.019 7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.094 0.677 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.129 0.946 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.648 -0.031 6.127 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.014 -2.844 9.743 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.257 -3.745 10.859 1.00 0.00 C ATOM 1698 C GLY A 111 -7.299 -2.958 12.145 1.00 0.00 C ATOM 1699 O GLY A 111 -6.288 -2.343 12.493 1.00 0.00 O ATOM 0 H GLY A 111 -6.573 -1.966 10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.199 -4.274 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.472 -4.499 10.908 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.453 -2.924 12.869 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.557 -2.178 14.128 1.00 0.00 C ATOM 1705 C PRO A 112 -7.709 -2.838 15.216 1.00 0.00 C ATOM 1706 O PRO A 112 -7.976 -3.960 15.588 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.072 -2.200 14.445 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.593 -3.423 13.760 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.725 -3.628 12.532 1.00 0.00 C ATOM 0 HA PRO A 112 -8.179 -1.157 14.066 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.250 -2.244 15.520 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.565 -1.301 14.076 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.543 -4.289 14.420 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.639 -3.296 13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.555 -4.687 12.335 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.190 -3.208 11.640 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.683 -2.127 15.694 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.695 -2.651 16.671 1.00 0.00 C ATOM 1719 C LYS A 113 -6.356 -3.154 17.986 1.00 0.00 C ATOM 1720 O LYS A 113 -5.794 -4.002 18.691 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.651 -1.550 16.984 1.00 0.00 C ATOM 1722 CG LYS A 113 -5.230 -0.318 17.730 1.00 0.00 C ATOM 1723 CD LYS A 113 -4.287 0.905 17.720 1.00 0.00 C ATOM 1724 CE LYS A 113 -4.076 1.463 16.303 1.00 0.00 C ATOM 1725 NZ LYS A 113 -3.259 2.699 16.305 1.00 0.00 N ATOM 0 H LYS A 113 -6.504 -1.162 15.418 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.209 -3.514 16.217 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.852 -1.983 17.586 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.200 -1.216 16.049 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.179 -0.039 17.273 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.443 -0.595 18.763 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.700 1.686 18.358 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.324 0.623 18.145 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.589 0.708 15.686 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.044 1.670 15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.142 3.040 15.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.735 3.429 16.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.325 2.497 16.715 1.00 0.00 H new ATOM 1739 N GLU A 114 -7.536 -2.590 18.302 1.00 0.00 N ATOM 1740 CA GLU A 114 -8.348 -2.966 19.471 1.00 0.00 C ATOM 1741 C GLU A 114 -8.931 -4.391 19.343 1.00 0.00 C ATOM 1742 O GLU A 114 -9.159 -5.061 20.353 1.00 0.00 O ATOM 1743 CB GLU A 114 -9.484 -1.923 19.718 1.00 0.00 C ATOM 1744 CG GLU A 114 -10.359 -1.567 18.474 1.00 0.00 C ATOM 1745 CD GLU A 114 -9.930 -0.258 17.762 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -8.940 -0.269 16.999 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -10.578 0.787 17.977 1.00 0.00 O ATOM 0 H GLU A 114 -7.958 -1.849 17.743 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.683 -2.967 20.335 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.138 -2.304 20.502 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.034 -1.006 20.097 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.312 -2.390 17.761 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.399 -1.475 18.787 1.00 0.00 H new ATOM 1754 N ASP A 115 -9.187 -4.829 18.104 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.648 -6.203 17.800 1.00 0.00 C ATOM 1756 C ASP A 115 -8.455 -7.073 17.376 1.00 0.00 C ATOM 1757 O ASP A 115 -8.122 -8.078 18.005 1.00 0.00 O ATOM 1758 CB ASP A 115 -10.709 -6.165 16.664 1.00 0.00 C ATOM 1759 CG ASP A 115 -11.213 -7.564 16.235 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -10.560 -8.224 15.397 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -12.266 -8.011 16.736 1.00 0.00 O ATOM 0 H ASP A 115 -9.082 -4.243 17.276 1.00 0.00 H new ATOM 0 HA ASP A 115 -10.100 -6.633 18.694 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -11.559 -5.568 16.993 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.282 -5.661 15.797 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.825 -6.635 16.297 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.770 -7.361 15.599 1.00 0.00 C ATOM 1768 C PHE A 116 -5.443 -7.032 16.304 1.00 0.00 C ATOM 1769 O PHE A 116 -5.014 -5.876 16.340 1.00 0.00 O ATOM 1770 CB PHE A 116 -6.785 -6.912 14.098 1.00 0.00 C ATOM 1771 CG PHE A 116 -6.040 -7.820 13.110 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -6.377 -9.167 12.989 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -5.041 -7.323 12.275 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -5.738 -9.986 12.078 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -4.395 -8.140 11.367 1.00 0.00 C ATOM 1776 CZ PHE A 116 -4.746 -9.472 11.267 1.00 0.00 C ATOM 0 H PHE A 116 -8.039 -5.735 15.867 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.910 -8.442 15.622 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.823 -6.833 13.775 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -6.355 -5.912 14.035 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -7.152 -9.578 13.619 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.767 -6.280 12.339 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.014 -11.027 12.000 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.616 -7.737 10.736 1.00 0.00 H new ATOM 0 HZ PHE A 116 -4.245 -10.111 10.555 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.812 -8.064 16.865 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.645 -7.936 17.757 1.00 0.00 C ATOM 1788 C PHE A 117 -2.526 -8.858 17.260 1.00 0.00 C ATOM 1789 O PHE A 117 -2.753 -9.700 16.390 1.00 0.00 O ATOM 1790 CB PHE A 117 -4.041 -8.306 19.223 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.560 -9.745 19.403 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -5.912 -10.039 19.252 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.687 -10.799 19.698 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.374 -11.330 19.389 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.154 -12.088 19.834 1.00 0.00 C ATOM 1796 CZ PHE A 117 -5.498 -12.354 19.680 1.00 0.00 C ATOM 0 H PHE A 117 -5.098 -9.031 16.714 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.294 -6.904 17.747 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.173 -8.164 19.867 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.809 -7.611 19.564 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.608 -9.245 19.025 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.633 -10.599 19.821 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.426 -11.540 19.268 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.467 -12.890 20.061 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.864 -13.364 19.787 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.323 -8.713 17.826 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.211 -9.648 17.586 1.00 0.00 C ATOM 1808 C HIS A 118 -0.094 -10.605 18.782 1.00 0.00 C ATOM 1809 O HIS A 118 -0.115 -10.169 19.939 1.00 0.00 O ATOM 1810 CB HIS A 118 1.127 -8.891 17.360 1.00 0.00 C ATOM 1811 CG HIS A 118 2.267 -9.792 16.948 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.356 -10.248 15.654 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.245 -10.360 17.696 1.00 0.00 C ATOM 1814 CE1 HIS A 118 3.369 -11.097 15.660 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.935 -11.191 16.866 1.00 0.00 N ATOM 0 H HIS A 118 -1.090 -7.949 18.461 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.418 -10.216 16.679 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.980 -8.131 16.593 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.400 -8.370 18.278 1.00 0.00 H new ATOM 0 HD1 HIS A 118 1.768 -9.988 14.862 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.439 -10.187 18.744 1.00 0.00 H new ATOM 0 HE1 HIS A 118 3.700 -11.649 14.793 1.00 0.00 H new ATOM 1823 N CYS A 119 0.014 -11.902 18.491 1.00 0.00 N ATOM 1824 CA CYS A 119 0.221 -12.944 19.507 1.00 0.00 C ATOM 1825 C CYS A 119 1.694 -13.388 19.437 1.00 0.00 C ATOM 1826 O CYS A 119 2.221 -13.593 18.334 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.757 -14.111 19.245 1.00 0.00 C ATOM 1828 SG CYS A 119 -0.769 -15.409 20.524 1.00 0.00 S ATOM 0 H CYS A 119 -0.040 -12.265 17.539 1.00 0.00 H new ATOM 0 HA CYS A 119 0.019 -12.573 20.512 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.765 -13.706 19.150 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.506 -14.568 18.288 1.00 0.00 H new ATOM 0 HG CYS A 119 0.111 -16.319 20.227 1.00 0.00 H new ATOM 1833 N LEU A 120 2.354 -13.497 20.612 1.00 0.00 N ATOM 1834 CA LEU A 120 3.793 -13.858 20.714 1.00 0.00 C ATOM 1835 C LEU A 120 3.995 -15.294 20.204 1.00 0.00 C ATOM 1836 O LEU A 120 4.796 -15.549 19.296 1.00 0.00 O ATOM 1837 CB LEU A 120 4.304 -13.723 22.185 1.00 0.00 C ATOM 1838 CG LEU A 120 4.500 -12.271 22.752 1.00 0.00 C ATOM 1839 CD1 LEU A 120 3.172 -11.479 22.848 1.00 0.00 C ATOM 1840 CD2 LEU A 120 5.217 -12.312 24.127 1.00 0.00 C ATOM 0 H LEU A 120 1.909 -13.338 21.516 1.00 0.00 H new ATOM 0 HA LEU A 120 4.372 -13.170 20.099 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.602 -14.246 22.835 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.258 -14.245 22.259 1.00 0.00 H new ATOM 0 HG LEU A 120 5.130 -11.738 22.040 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.370 -10.484 23.246 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.728 -11.392 21.856 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.482 -12.004 23.509 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.343 -11.296 24.502 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.618 -12.888 24.833 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.195 -12.781 24.014 1.00 0.00 H new ATOM 1852 N LYS A 121 3.255 -16.224 20.827 1.00 0.00 N ATOM 1853 CA LYS A 121 3.046 -17.575 20.291 1.00 0.00 C ATOM 1854 C LYS A 121 2.034 -17.471 19.150 1.00 0.00 C ATOM 1855 O LYS A 121 1.213 -16.569 19.175 1.00 0.00 O ATOM 1856 CB LYS A 121 2.521 -18.522 21.400 1.00 0.00 C ATOM 1857 CG LYS A 121 3.438 -18.637 22.641 1.00 0.00 C ATOM 1858 CD LYS A 121 4.845 -19.184 22.310 1.00 0.00 C ATOM 1859 CE LYS A 121 4.817 -20.613 21.735 1.00 0.00 C ATOM 1860 NZ LYS A 121 6.170 -21.085 21.342 1.00 0.00 N ATOM 0 H LYS A 121 2.785 -16.059 21.717 1.00 0.00 H new ATOM 0 HA LYS A 121 3.986 -17.988 19.925 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.540 -18.173 21.722 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.383 -19.516 20.974 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.537 -17.655 23.104 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.965 -19.289 23.375 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.327 -18.520 21.593 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.454 -19.174 23.214 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.398 -21.293 22.476 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.158 -20.641 20.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.104 -22.050 20.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.561 -20.452 20.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.793 -21.084 22.174 1.00 0.00 H new ATOM 1874 N CYS A 122 2.067 -18.402 18.181 1.00 0.00 N ATOM 1875 CA CYS A 122 1.345 -18.261 16.898 1.00 0.00 C ATOM 1876 C CYS A 122 1.901 -16.999 16.189 1.00 0.00 C ATOM 1877 O CYS A 122 1.351 -15.899 16.349 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.219 -18.188 17.080 1.00 0.00 C ATOM 1879 SG CYS A 122 -0.834 -18.863 18.659 1.00 0.00 S ATOM 0 H CYS A 122 2.593 -19.272 18.262 1.00 0.00 H new ATOM 0 HA CYS A 122 1.514 -19.148 16.288 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.533 -17.147 16.999 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -0.692 -18.729 16.260 1.00 0.00 H new ATOM 0 HG CYS A 122 -0.905 -17.910 19.540 1.00 0.00 H new ATOM 1884 N ASN A 123 3.011 -17.174 15.447 1.00 0.00 N ATOM 1885 CA ASN A 123 3.878 -16.068 14.976 1.00 0.00 C ATOM 1886 C ASN A 123 3.246 -15.284 13.791 1.00 0.00 C ATOM 1887 O ASN A 123 3.683 -15.400 12.637 1.00 0.00 O ATOM 1888 CB ASN A 123 5.283 -16.634 14.595 1.00 0.00 C ATOM 1889 CG ASN A 123 6.026 -17.328 15.753 1.00 0.00 C ATOM 1890 OD1 ASN A 123 5.422 -17.941 16.637 1.00 0.00 O ATOM 1891 ND2 ASN A 123 7.352 -17.252 15.746 1.00 0.00 N ATOM 0 H ASN A 123 3.337 -18.095 15.153 1.00 0.00 H new ATOM 0 HA ASN A 123 3.987 -15.352 15.791 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.165 -17.345 13.777 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.901 -15.818 14.221 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.893 -17.706 16.482 1.00 0.00 H new ATOM 0 HD22 ASN A 123 7.830 -16.739 15.005 1.00 0.00 H new ATOM 1898 N LEU A 124 2.199 -14.501 14.116 1.00 0.00 N ATOM 1899 CA LEU A 124 1.446 -13.649 13.175 1.00 0.00 C ATOM 1900 C LEU A 124 0.441 -12.796 13.984 1.00 0.00 C ATOM 1901 O LEU A 124 0.422 -12.841 15.227 1.00 0.00 O ATOM 1902 CB LEU A 124 0.700 -14.467 12.052 1.00 0.00 C ATOM 1903 CG LEU A 124 -0.523 -15.356 12.476 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -1.368 -15.772 11.253 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -0.090 -16.606 13.266 1.00 0.00 C ATOM 0 H LEU A 124 1.843 -14.442 15.070 1.00 0.00 H new ATOM 0 HA LEU A 124 2.161 -13.014 12.652 1.00 0.00 H new ATOM 0 HB2 LEU A 124 0.353 -13.760 11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.432 -15.114 11.569 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.136 -14.740 13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.206 -16.386 11.582 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.746 -14.881 10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.749 -16.343 10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.971 -17.188 13.537 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.572 -17.214 12.650 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.435 -16.301 14.171 1.00 0.00 H new ATOM 1917 N CYS A 125 -0.367 -11.983 13.280 1.00 0.00 N ATOM 1918 CA CYS A 125 -1.465 -11.220 13.901 1.00 0.00 C ATOM 1919 C CYS A 125 -2.788 -11.981 13.764 1.00 0.00 C ATOM 1920 O CYS A 125 -3.145 -12.440 12.676 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.584 -9.804 13.298 1.00 0.00 C ATOM 1922 SG CYS A 125 -0.448 -8.602 14.044 1.00 0.00 S ATOM 0 H CYS A 125 -0.279 -11.837 12.274 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.235 -11.106 14.960 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.392 -9.857 12.226 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.607 -9.450 13.421 1.00 0.00 H new ATOM 0 HG CYS A 125 -1.097 -7.514 14.334 1.00 0.00 H new ATOM 1927 N LEU A 126 -3.500 -12.114 14.897 1.00 0.00 N ATOM 1928 CA LEU A 126 -4.802 -12.798 14.979 1.00 0.00 C ATOM 1929 C LEU A 126 -5.871 -11.792 15.413 1.00 0.00 C ATOM 1930 O LEU A 126 -5.569 -10.838 16.131 1.00 0.00 O ATOM 1931 CB LEU A 126 -4.758 -13.988 15.990 1.00 0.00 C ATOM 1932 CG LEU A 126 -3.776 -15.173 15.669 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -3.921 -15.654 14.212 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -2.310 -14.829 16.014 1.00 0.00 C ATOM 0 H LEU A 126 -3.183 -11.744 15.793 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.042 -13.202 13.996 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.495 -13.588 16.969 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -5.765 -14.398 16.072 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.063 -16.002 16.315 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.226 -16.473 14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.941 -15.998 14.042 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.698 -14.831 13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.671 -15.679 15.774 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.994 -13.962 15.434 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.230 -14.603 17.077 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.115 -12.020 14.981 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.268 -11.179 15.348 1.00 0.00 C ATOM 1948 C ALA A 127 -8.782 -11.570 16.732 1.00 0.00 C ATOM 1949 O ALA A 127 -8.494 -12.673 17.228 1.00 0.00 O ATOM 1950 CB ALA A 127 -9.377 -11.308 14.289 1.00 0.00 C ATOM 0 H ALA A 127 -7.356 -12.796 14.364 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.953 -10.136 15.384 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.224 -10.682 14.571 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -8.994 -10.986 13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -9.699 -12.347 14.225 1.00 0.00 H new ATOM 1956 N MET A 128 -9.545 -10.667 17.360 1.00 0.00 N ATOM 1957 CA MET A 128 -10.184 -10.935 18.663 1.00 0.00 C ATOM 1958 C MET A 128 -11.378 -11.896 18.477 1.00 0.00 C ATOM 1959 O MET A 128 -11.843 -12.526 19.432 1.00 0.00 O ATOM 1960 CB MET A 128 -10.593 -9.597 19.338 1.00 0.00 C ATOM 1961 CG MET A 128 -10.887 -9.669 20.849 1.00 0.00 C ATOM 1962 SD MET A 128 -10.453 -8.143 21.726 1.00 0.00 S ATOM 1963 CE MET A 128 -8.675 -8.049 21.452 1.00 0.00 C ATOM 0 H MET A 128 -9.738 -9.737 16.987 1.00 0.00 H new ATOM 0 HA MET A 128 -9.476 -11.428 19.330 1.00 0.00 H new ATOM 0 HB2 MET A 128 -9.795 -8.872 19.177 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.479 -9.213 18.833 1.00 0.00 H new ATOM 0 HG2 MET A 128 -11.946 -9.879 20.998 1.00 0.00 H new ATOM 0 HG3 MET A 128 -10.333 -10.501 21.283 1.00 0.00 H new ATOM 0 HE1 MET A 128 -8.210 -7.498 22.269 1.00 0.00 H new ATOM 0 HE2 MET A 128 -8.259 -9.056 21.411 1.00 0.00 H new ATOM 0 HE3 MET A 128 -8.479 -7.537 20.510 1.00 0.00 H new