USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 948 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 104 MET CE :methyl 170:sc= -0.462 (180deg=-0.635) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.0287 K(o=-0.49,f=-1.1) USER MOD Set 1.3: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 107 TYR OH : rot 140:sc= 0.0625 USER MOD Set 2.2: A 127 CYS SG : rot 105:sc= -1.74! USER MOD Set 3.1: A 73 CYS SG : rot 47:sc= 0.219 USER MOD Set 3.2: A 90 LYS NZ :NH3+ -140:sc= 1.08 (180deg=-1.17) USER MOD Set 4.1: A 67 GLN : amide:sc= -0.0997 X(o=-0.12,f=-0.23) USER MOD Set 4.2: A 97 MET CE :methyl -137:sc= -0.0222 (180deg=-2.61!) USER MOD Set 5.1: A 26 CYS SG : rot 68:sc= 0.823 USER MOD Set 5.2: A 38 HIS :FLIP no HD1:sc= -0.952 F(o=-0.77,f=-0.13) USER MOD Set 6.1: A 24 ASN : amide:sc= 0.764 K(o=-0.56,f=-1.3) USER MOD Set 6.2: A 39 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0437 (180deg=-0.0977) USER MOD Single : A 21 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.74) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.58 K(o=0.58,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0801 X(o=-0.08,f=-0.045) USER MOD Single : A 36 MET CE :methyl 162:sc= 0 (180deg=-0.863) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 71:sc= 1.43 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0.517 (180deg=0.473) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -24:sc= -1.23 USER MOD Single : A 55 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.004) USER MOD Single : A 59 CYS SG : rot 67:sc= 0.896 USER MOD Single : A 60 TYR OH : rot 30:sc=-0.00955 USER MOD Single : A 61 THR OG1 : rot -84:sc= 0.556 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -106:sc= -4.15! USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0103 F(o=-1.1,f=-0.01) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= 0.915 (180deg=0.0494) USER MOD Single : A 87 TYR OH : rot 33:sc= 0.251 USER MOD Single : A 88 THR OG1 : rot 170:sc= -0.422 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00108) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.109 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0201 F(o=-0.7,f=-0.02) USER MOD Single : A 109 LYS NZ :NH3+ 154:sc= 1.14 (180deg=0.652) USER MOD Single : A 115 SER OG : rot -10:sc= 0.391 USER MOD Single : A 116 SER OG : rot 78:sc= 0.0984 USER MOD Single : A 117 CYS SG : rot -44:sc= -2.23 USER MOD Single : A 118 LYS NZ :NH3+ -175:sc=-0.00697 (180deg=-0.027) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= 0.711 F(o=-1.1,f=0.71) USER MOD Single : A 128 MET CE :methyl -141:sc= -0.0403 (180deg=-1.27) USER MOD Single : A 129 MET CE :methyl -159:sc= -0.0894 (180deg=-0.571) USER MOD Single : A 133 ASN : amide:sc= -0.047 X(o=-0.047,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 9.749 20.506 0.323 1.00 30.31 N ATOM 222 CA LEU A 15 8.304 20.682 0.112 1.00 60.01 C ATOM 223 C LEU A 15 7.650 19.369 -0.370 1.00 72.04 C ATOM 224 O LEU A 15 6.479 19.118 -0.078 1.00 65.24 O ATOM 225 CB LEU A 15 8.017 21.842 -0.884 1.00 74.24 C ATOM 226 CG LEU A 15 8.472 23.284 -0.421 1.00 23.00 C ATOM 227 CD1 LEU A 15 9.985 23.518 -0.604 1.00 75.42 C ATOM 228 CD2 LEU A 15 7.647 24.396 -1.115 1.00 32.24 C ATOM 0 HA LEU A 15 7.860 20.948 1.071 1.00 60.01 H new ATOM 0 HB2 LEU A 15 8.510 21.613 -1.829 1.00 74.24 H new ATOM 0 HB3 LEU A 15 6.945 21.867 -1.082 1.00 74.24 H new ATOM 0 HG LEU A 15 8.272 23.336 0.649 1.00 23.00 H new ATOM 0 HD11 LEU A 15 10.241 24.524 -0.270 1.00 75.42 H new ATOM 0 HD12 LEU A 15 10.540 22.788 -0.015 1.00 75.42 H new ATOM 0 HD13 LEU A 15 10.245 23.408 -1.657 1.00 75.42 H new ATOM 0 HD21 LEU A 15 7.990 25.372 -0.771 1.00 32.24 H new ATOM 0 HD22 LEU A 15 7.778 24.326 -2.195 1.00 32.24 H new ATOM 0 HD23 LEU A 15 6.592 24.274 -0.869 1.00 32.24 H new ATOM 240 N ALA A 16 8.444 18.521 -1.057 1.00 62.22 N ATOM 241 CA ALA A 16 7.995 17.194 -1.519 1.00 60.21 C ATOM 242 C ALA A 16 7.633 16.263 -0.344 1.00 0.03 C ATOM 243 O ALA A 16 6.801 15.362 -0.503 1.00 71.45 O ATOM 244 CB ALA A 16 9.047 16.540 -2.432 1.00 60.04 C ATOM 0 H ALA A 16 9.409 18.737 -1.305 1.00 62.22 H new ATOM 0 HA ALA A 16 7.086 17.350 -2.100 1.00 60.21 H new ATOM 0 HB1 ALA A 16 8.689 15.563 -2.758 1.00 60.04 H new ATOM 0 HB2 ALA A 16 9.217 17.173 -3.303 1.00 60.04 H new ATOM 0 HB3 ALA A 16 9.981 16.420 -1.883 1.00 60.04 H new ATOM 250 N LEU A 17 8.238 16.484 0.849 1.00 40.42 N ATOM 251 CA LEU A 17 7.871 15.712 2.052 1.00 35.35 C ATOM 252 C LEU A 17 6.650 16.360 2.733 1.00 3.34 C ATOM 253 O LEU A 17 5.943 15.708 3.491 1.00 5.34 O ATOM 254 CB LEU A 17 9.097 15.521 3.023 1.00 10.23 C ATOM 255 CG LEU A 17 9.476 16.670 4.048 1.00 11.41 C ATOM 256 CD1 LEU A 17 8.596 16.640 5.320 1.00 41.42 C ATOM 257 CD2 LEU A 17 10.974 16.604 4.435 1.00 34.25 C ATOM 0 H LEU A 17 8.969 17.179 0.999 1.00 40.42 H new ATOM 0 HA LEU A 17 7.584 14.704 1.754 1.00 35.35 H new ATOM 0 HB2 LEU A 17 8.915 14.616 3.602 1.00 10.23 H new ATOM 0 HB3 LEU A 17 9.975 15.334 2.405 1.00 10.23 H new ATOM 0 HG LEU A 17 9.285 17.614 3.537 1.00 11.41 H new ATOM 0 HD11 LEU A 17 8.896 17.447 5.989 1.00 41.42 H new ATOM 0 HD12 LEU A 17 7.550 16.769 5.042 1.00 41.42 H new ATOM 0 HD13 LEU A 17 8.721 15.683 5.827 1.00 41.42 H new ATOM 0 HD21 LEU A 17 11.204 17.404 5.139 1.00 34.25 H new ATOM 0 HD22 LEU A 17 11.188 15.641 4.898 1.00 34.25 H new ATOM 0 HD23 LEU A 17 11.586 16.721 3.541 1.00 34.25 H new ATOM 269 N MET A 18 6.407 17.651 2.455 1.00 73.52 N ATOM 270 CA MET A 18 5.318 18.412 3.102 1.00 51.31 C ATOM 271 C MET A 18 3.978 18.157 2.396 1.00 70.22 C ATOM 272 O MET A 18 2.925 18.102 3.044 1.00 65.43 O ATOM 273 CB MET A 18 5.672 19.920 3.118 1.00 33.40 C ATOM 274 CG MET A 18 6.868 20.263 4.015 1.00 63.11 C ATOM 275 SD MET A 18 6.584 19.791 5.739 1.00 54.01 S ATOM 276 CE MET A 18 8.071 20.380 6.550 1.00 32.43 C ATOM 0 H MET A 18 6.951 18.194 1.784 1.00 73.52 H new ATOM 0 HA MET A 18 5.210 18.072 4.132 1.00 51.31 H new ATOM 0 HB2 MET A 18 5.888 20.244 2.100 1.00 33.40 H new ATOM 0 HB3 MET A 18 4.803 20.485 3.455 1.00 33.40 H new ATOM 0 HG2 MET A 18 7.757 19.755 3.642 1.00 63.11 H new ATOM 0 HG3 MET A 18 7.066 21.333 3.961 1.00 63.11 H new ATOM 0 HE1 MET A 18 8.020 20.151 7.614 1.00 32.43 H new ATOM 0 HE2 MET A 18 8.942 19.890 6.114 1.00 32.43 H new ATOM 0 HE3 MET A 18 8.156 21.458 6.415 1.00 32.43 H new ATOM 286 N VAL A 19 4.044 17.970 1.066 1.00 74.23 N ATOM 287 CA VAL A 19 2.867 17.698 0.224 1.00 1.40 C ATOM 288 C VAL A 19 2.298 16.288 0.514 1.00 3.44 C ATOM 289 O VAL A 19 1.084 16.062 0.412 1.00 51.14 O ATOM 290 CB VAL A 19 3.212 17.850 -1.304 1.00 70.23 C ATOM 291 CG1 VAL A 19 4.229 16.787 -1.754 1.00 71.21 C ATOM 292 CG2 VAL A 19 1.943 17.836 -2.196 1.00 61.23 C ATOM 0 H VAL A 19 4.919 18.004 0.543 1.00 74.23 H new ATOM 0 HA VAL A 19 2.104 18.436 0.472 1.00 1.40 H new ATOM 0 HB VAL A 19 3.674 18.829 -1.431 1.00 70.23 H new ATOM 0 HG11 VAL A 19 4.447 16.918 -2.814 1.00 71.21 H new ATOM 0 HG12 VAL A 19 5.148 16.896 -1.178 1.00 71.21 H new ATOM 0 HG13 VAL A 19 3.813 15.793 -1.589 1.00 71.21 H new ATOM 0 HG21 VAL A 19 2.232 17.944 -3.241 1.00 61.23 H new ATOM 0 HG22 VAL A 19 1.414 16.893 -2.061 1.00 61.23 H new ATOM 0 HG23 VAL A 19 1.290 18.662 -1.913 1.00 61.23 H new ATOM 302 N LYS A 20 3.189 15.344 0.892 1.00 4.51 N ATOM 303 CA LYS A 20 2.775 13.977 1.243 1.00 70.41 C ATOM 304 C LYS A 20 2.139 13.965 2.644 1.00 75.22 C ATOM 305 O LYS A 20 1.195 13.218 2.877 1.00 23.30 O ATOM 306 CB LYS A 20 3.956 12.968 1.154 1.00 72.24 C ATOM 307 CG LYS A 20 5.022 13.074 2.266 1.00 10.12 C ATOM 308 CD LYS A 20 6.126 11.993 2.170 1.00 14.21 C ATOM 309 CE LYS A 20 7.040 12.161 0.948 1.00 44.22 C ATOM 310 NZ LYS A 20 7.918 10.974 0.740 1.00 44.25 N ATOM 0 H LYS A 20 4.193 15.508 0.960 1.00 4.51 H new ATOM 0 HA LYS A 20 2.032 13.653 0.514 1.00 70.41 H new ATOM 0 HB2 LYS A 20 3.547 11.958 1.166 1.00 72.24 H new ATOM 0 HB3 LYS A 20 4.449 13.101 0.191 1.00 72.24 H new ATOM 0 HG2 LYS A 20 5.485 14.060 2.221 1.00 10.12 H new ATOM 0 HG3 LYS A 20 4.532 12.996 3.236 1.00 10.12 H new ATOM 0 HD2 LYS A 20 6.733 12.023 3.075 1.00 14.21 H new ATOM 0 HD3 LYS A 20 5.658 11.009 2.132 1.00 14.21 H new ATOM 0 HE2 LYS A 20 6.430 12.321 0.059 1.00 44.22 H new ATOM 0 HE3 LYS A 20 7.657 13.050 1.076 1.00 44.22 H new ATOM 0 HZ1 LYS A 20 8.314 10.999 -0.221 1.00 44.25 H new ATOM 0 HZ2 LYS A 20 8.692 10.989 1.434 1.00 44.25 H new ATOM 0 HZ3 LYS A 20 7.361 10.104 0.862 1.00 44.25 H new ATOM 324 N ASN A 21 2.655 14.832 3.556 1.00 44.23 N ATOM 325 CA ASN A 21 2.141 14.952 4.941 1.00 2.04 C ATOM 326 C ASN A 21 0.693 15.450 4.943 1.00 10.11 C ATOM 327 O ASN A 21 -0.154 14.909 5.663 1.00 13.40 O ATOM 328 CB ASN A 21 3.022 15.898 5.813 1.00 44.32 C ATOM 329 CG ASN A 21 4.413 15.348 6.122 1.00 55.23 C ATOM 330 OD1 ASN A 21 4.625 14.137 6.174 1.00 31.11 O ATOM 331 ND2 ASN A 21 5.364 16.235 6.372 1.00 41.11 N ATOM 0 H ASN A 21 3.432 15.461 3.351 1.00 44.23 H new ATOM 0 HA ASN A 21 2.181 13.955 5.379 1.00 2.04 H new ATOM 0 HB2 ASN A 21 3.127 16.854 5.300 1.00 44.32 H new ATOM 0 HB3 ASN A 21 2.505 16.095 6.752 1.00 44.32 H new ATOM 0 HD21 ASN A 21 6.303 15.921 6.616 1.00 41.11 H new ATOM 0 HD22 ASN A 21 5.157 17.233 6.321 1.00 41.11 H new ATOM 338 N LYS A 22 0.419 16.488 4.128 1.00 34.23 N ATOM 339 CA LYS A 22 -0.935 17.046 4.002 1.00 4.52 C ATOM 340 C LYS A 22 -1.828 16.123 3.169 1.00 25.54 C ATOM 341 O LYS A 22 -3.042 16.160 3.306 1.00 12.01 O ATOM 342 CB LYS A 22 -0.885 18.464 3.406 1.00 53.13 C ATOM 343 CG LYS A 22 -0.327 18.534 1.979 1.00 53.53 C ATOM 344 CD LYS A 22 0.050 19.961 1.559 1.00 0.11 C ATOM 345 CE LYS A 22 -1.151 20.923 1.534 1.00 2.31 C ATOM 346 NZ LYS A 22 -0.742 22.303 1.147 1.00 1.22 N ATOM 0 H LYS A 22 1.118 16.954 3.550 1.00 34.23 H new ATOM 0 HA LYS A 22 -1.371 17.118 4.998 1.00 4.52 H new ATOM 0 HB2 LYS A 22 -1.892 18.882 3.410 1.00 53.13 H new ATOM 0 HB3 LYS A 22 -0.275 19.095 4.053 1.00 53.13 H new ATOM 0 HG2 LYS A 22 0.552 17.894 1.905 1.00 53.53 H new ATOM 0 HG3 LYS A 22 -1.068 18.139 1.284 1.00 53.53 H new ATOM 0 HD2 LYS A 22 0.803 20.348 2.246 1.00 0.11 H new ATOM 0 HD3 LYS A 22 0.506 19.933 0.569 1.00 0.11 H new ATOM 0 HE2 LYS A 22 -1.898 20.554 0.832 1.00 2.31 H new ATOM 0 HE3 LYS A 22 -1.621 20.945 2.517 1.00 2.31 H new ATOM 0 HZ1 LYS A 22 -1.577 22.924 1.141 1.00 1.22 H new ATOM 0 HZ2 LYS A 22 -0.047 22.664 1.832 1.00 1.22 H new ATOM 0 HZ3 LYS A 22 -0.316 22.286 0.198 1.00 1.22 H new ATOM 360 N GLY A 23 -1.204 15.307 2.297 1.00 52.22 N ATOM 361 CA GLY A 23 -1.900 14.198 1.633 1.00 35.43 C ATOM 362 C GLY A 23 -2.479 13.196 2.632 1.00 73.41 C ATOM 363 O GLY A 23 -3.653 12.807 2.536 1.00 34.54 O ATOM 0 H GLY A 23 -0.221 15.398 2.039 1.00 52.22 H new ATOM 0 HA2 GLY A 23 -2.704 14.595 1.013 1.00 35.43 H new ATOM 0 HA3 GLY A 23 -1.207 13.684 0.966 1.00 35.43 H new ATOM 367 N ASN A 24 -1.637 12.809 3.609 1.00 41.45 N ATOM 368 CA ASN A 24 -2.022 11.904 4.709 1.00 12.02 C ATOM 369 C ASN A 24 -3.013 12.571 5.673 1.00 53.14 C ATOM 370 O ASN A 24 -3.879 11.883 6.232 1.00 11.15 O ATOM 371 CB ASN A 24 -0.771 11.379 5.477 1.00 53.11 C ATOM 372 CG ASN A 24 -0.017 10.273 4.724 1.00 50.32 C ATOM 373 OD1 ASN A 24 -0.355 9.098 4.827 1.00 64.51 O ATOM 374 ND2 ASN A 24 1.012 10.625 3.981 1.00 15.51 N ATOM 0 H ASN A 24 -0.666 13.117 3.658 1.00 41.45 H new ATOM 0 HA ASN A 24 -2.525 11.049 4.258 1.00 12.02 H new ATOM 0 HB2 ASN A 24 -0.092 12.211 5.663 1.00 53.11 H new ATOM 0 HB3 ASN A 24 -1.083 10.999 6.450 1.00 53.11 H new ATOM 0 HD21 ASN A 24 1.544 9.915 3.478 1.00 15.51 H new ATOM 0 HD22 ASN A 24 1.277 11.607 3.909 1.00 15.51 H new ATOM 381 N GLU A 25 -2.900 13.910 5.862 1.00 52.53 N ATOM 382 CA GLU A 25 -3.824 14.638 6.751 1.00 3.32 C ATOM 383 C GLU A 25 -5.203 14.745 6.088 1.00 55.12 C ATOM 384 O GLU A 25 -6.202 14.619 6.773 1.00 5.24 O ATOM 385 CB GLU A 25 -3.286 16.043 7.191 1.00 1.10 C ATOM 386 CG GLU A 25 -3.775 17.267 6.380 1.00 44.42 C ATOM 387 CD GLU A 25 -3.137 18.590 6.829 1.00 11.20 C ATOM 388 OE1 GLU A 25 -1.889 18.687 6.832 1.00 51.04 O ATOM 389 OE2 GLU A 25 -3.871 19.534 7.197 1.00 4.13 O ATOM 0 H GLU A 25 -2.191 14.493 5.418 1.00 52.53 H new ATOM 0 HA GLU A 25 -3.910 14.061 7.672 1.00 3.32 H new ATOM 0 HB2 GLU A 25 -3.557 16.198 8.235 1.00 1.10 H new ATOM 0 HB3 GLU A 25 -2.197 16.019 7.145 1.00 1.10 H new ATOM 0 HG2 GLU A 25 -3.555 17.106 5.325 1.00 44.42 H new ATOM 0 HG3 GLU A 25 -4.858 17.345 6.472 1.00 44.42 H new ATOM 396 N CYS A 26 -5.229 14.922 4.740 1.00 1.32 N ATOM 397 CA CYS A 26 -6.481 14.990 3.954 1.00 31.01 C ATOM 398 C CYS A 26 -7.298 13.707 4.139 1.00 41.45 C ATOM 399 O CYS A 26 -8.488 13.757 4.480 1.00 72.51 O ATOM 400 CB CYS A 26 -6.190 15.239 2.463 1.00 41.13 C ATOM 401 SG CYS A 26 -5.511 16.877 2.120 1.00 2.21 S ATOM 0 H CYS A 26 -4.386 15.021 4.175 1.00 1.32 H new ATOM 0 HA CYS A 26 -7.067 15.832 4.323 1.00 31.01 H new ATOM 0 HB2 CYS A 26 -5.490 14.483 2.107 1.00 41.13 H new ATOM 0 HB3 CYS A 26 -7.112 15.111 1.896 1.00 41.13 H new ATOM 0 HG CYS A 26 -4.319 16.969 2.631 1.00 2.21 H new ATOM 407 N PHE A 27 -6.598 12.571 3.987 1.00 11.14 N ATOM 408 CA PHE A 27 -7.150 11.232 4.242 1.00 45.03 C ATOM 409 C PHE A 27 -7.724 11.137 5.683 1.00 11.43 C ATOM 410 O PHE A 27 -8.865 10.690 5.900 1.00 21.31 O ATOM 411 CB PHE A 27 -6.030 10.185 4.001 1.00 53.42 C ATOM 412 CG PHE A 27 -6.507 8.738 3.973 1.00 63.42 C ATOM 413 CD1 PHE A 27 -6.917 8.143 2.781 1.00 32.43 C ATOM 414 CD2 PHE A 27 -6.537 7.973 5.133 1.00 53.35 C ATOM 415 CE1 PHE A 27 -7.344 6.831 2.758 1.00 44.24 C ATOM 416 CE2 PHE A 27 -6.962 6.661 5.113 1.00 54.34 C ATOM 417 CZ PHE A 27 -7.365 6.088 3.924 1.00 10.01 C ATOM 0 H PHE A 27 -5.625 12.557 3.681 1.00 11.14 H new ATOM 0 HA PHE A 27 -7.978 11.033 3.561 1.00 45.03 H new ATOM 0 HB2 PHE A 27 -5.539 10.410 3.054 1.00 53.42 H new ATOM 0 HB3 PHE A 27 -5.278 10.291 4.783 1.00 53.42 H new ATOM 0 HD1 PHE A 27 -6.900 8.715 1.865 1.00 32.43 H new ATOM 0 HD2 PHE A 27 -6.222 8.414 6.067 1.00 53.35 H new ATOM 0 HE1 PHE A 27 -7.662 6.384 1.828 1.00 44.24 H new ATOM 0 HE2 PHE A 27 -6.979 6.084 6.026 1.00 54.34 H new ATOM 0 HZ PHE A 27 -7.696 5.060 3.904 1.00 10.01 H new ATOM 427 N GLN A 28 -6.921 11.651 6.632 1.00 51.21 N ATOM 428 CA GLN A 28 -7.249 11.709 8.072 1.00 75.24 C ATOM 429 C GLN A 28 -8.487 12.609 8.351 1.00 23.33 C ATOM 430 O GLN A 28 -9.163 12.429 9.367 1.00 43.21 O ATOM 431 CB GLN A 28 -6.002 12.220 8.862 1.00 41.11 C ATOM 432 CG GLN A 28 -6.200 12.428 10.381 1.00 63.21 C ATOM 433 CD GLN A 28 -6.527 11.126 11.132 1.00 22.22 C ATOM 434 OE1 GLN A 28 -5.629 10.403 11.558 1.00 51.52 O ATOM 435 NE2 GLN A 28 -7.808 10.821 11.319 1.00 75.05 N ATOM 0 H GLN A 28 -6.006 12.047 6.417 1.00 51.21 H new ATOM 0 HA GLN A 28 -7.509 10.705 8.407 1.00 75.24 H new ATOM 0 HB2 GLN A 28 -5.188 11.510 8.716 1.00 41.11 H new ATOM 0 HB3 GLN A 28 -5.682 13.166 8.425 1.00 41.11 H new ATOM 0 HG2 GLN A 28 -5.295 12.866 10.802 1.00 63.21 H new ATOM 0 HG3 GLN A 28 -7.005 13.145 10.541 1.00 63.21 H new ATOM 0 HE21 GLN A 28 -8.537 11.436 10.957 1.00 75.05 H new ATOM 0 HE22 GLN A 28 -8.062 9.972 11.825 1.00 75.05 H new ATOM 444 N LYS A 29 -8.827 13.557 7.438 1.00 2.32 N ATOM 445 CA LYS A 29 -10.027 14.423 7.633 1.00 31.44 C ATOM 446 C LYS A 29 -11.324 13.611 7.382 1.00 71.24 C ATOM 447 O LYS A 29 -12.431 14.109 7.621 1.00 2.13 O ATOM 448 CB LYS A 29 -10.004 15.687 6.711 1.00 43.41 C ATOM 449 CG LYS A 29 -8.639 16.394 6.574 1.00 45.20 C ATOM 450 CD LYS A 29 -8.004 16.881 7.904 1.00 21.50 C ATOM 451 CE LYS A 29 -8.726 18.080 8.508 1.00 43.10 C ATOM 452 NZ LYS A 29 -8.070 18.568 9.752 1.00 31.31 N ATOM 0 H LYS A 29 -8.305 13.741 6.581 1.00 2.32 H new ATOM 0 HA LYS A 29 -10.006 14.770 8.666 1.00 31.44 H new ATOM 0 HB2 LYS A 29 -10.342 15.394 5.717 1.00 43.41 H new ATOM 0 HB3 LYS A 29 -10.728 16.406 7.094 1.00 43.41 H new ATOM 0 HG2 LYS A 29 -7.943 15.711 6.087 1.00 45.20 H new ATOM 0 HG3 LYS A 29 -8.758 17.252 5.913 1.00 45.20 H new ATOM 0 HD2 LYS A 29 -8.008 16.062 8.623 1.00 21.50 H new ATOM 0 HD3 LYS A 29 -6.961 17.144 7.727 1.00 21.50 H new ATOM 0 HE2 LYS A 29 -8.759 18.888 7.777 1.00 43.10 H new ATOM 0 HE3 LYS A 29 -9.758 17.807 8.728 1.00 43.10 H new ATOM 0 HZ1 LYS A 29 -8.597 19.383 10.125 1.00 31.31 H new ATOM 0 HZ2 LYS A 29 -8.061 17.807 10.461 1.00 31.31 H new ATOM 0 HZ3 LYS A 29 -7.093 18.855 9.540 1.00 31.31 H new ATOM 466 N GLY A 30 -11.166 12.361 6.888 1.00 51.01 N ATOM 467 CA GLY A 30 -12.286 11.494 6.540 1.00 64.13 C ATOM 468 C GLY A 30 -12.550 11.547 5.050 1.00 21.43 C ATOM 469 O GLY A 30 -13.701 11.607 4.604 1.00 1.41 O ATOM 0 H GLY A 30 -10.253 11.937 6.724 1.00 51.01 H new ATOM 0 HA2 GLY A 30 -12.068 10.469 6.841 1.00 64.13 H new ATOM 0 HA3 GLY A 30 -13.177 11.804 7.085 1.00 64.13 H new ATOM 473 N ASP A 31 -11.459 11.562 4.279 1.00 54.32 N ATOM 474 CA ASP A 31 -11.487 11.682 2.814 1.00 1.35 C ATOM 475 C ASP A 31 -10.679 10.536 2.184 1.00 74.42 C ATOM 476 O ASP A 31 -9.728 10.031 2.782 1.00 1.50 O ATOM 477 CB ASP A 31 -10.941 13.089 2.430 1.00 14.41 C ATOM 478 CG ASP A 31 -10.562 13.277 0.949 1.00 32.45 C ATOM 479 OD1 ASP A 31 -11.360 12.920 0.045 1.00 44.21 O ATOM 480 OD2 ASP A 31 -9.466 13.814 0.691 1.00 72.53 O ATOM 0 H ASP A 31 -10.515 11.490 4.659 1.00 54.32 H new ATOM 0 HA ASP A 31 -12.503 11.595 2.428 1.00 1.35 H new ATOM 0 HB2 ASP A 31 -11.693 13.834 2.691 1.00 14.41 H new ATOM 0 HB3 ASP A 31 -10.062 13.296 3.040 1.00 14.41 H new ATOM 485 N TYR A 32 -11.103 10.102 0.990 1.00 71.21 N ATOM 486 CA TYR A 32 -10.452 9.012 0.232 1.00 71.31 C ATOM 487 C TYR A 32 -10.064 9.485 -1.193 1.00 71.04 C ATOM 488 O TYR A 32 -8.873 9.471 -1.511 1.00 64.41 O ATOM 489 CB TYR A 32 -11.341 7.723 0.189 1.00 34.11 C ATOM 490 CG TYR A 32 -11.233 6.836 1.429 1.00 45.43 C ATOM 491 CD1 TYR A 32 -11.795 7.216 2.651 1.00 1.04 C ATOM 492 CD2 TYR A 32 -10.560 5.611 1.384 1.00 43.42 C ATOM 493 CE1 TYR A 32 -11.693 6.418 3.768 1.00 65.51 C ATOM 494 CE2 TYR A 32 -10.458 4.813 2.498 1.00 14.11 C ATOM 495 CZ TYR A 32 -11.024 5.213 3.692 1.00 30.31 C ATOM 496 OH TYR A 32 -10.924 4.406 4.802 1.00 62.41 O ATOM 0 H TYR A 32 -11.914 10.497 0.514 1.00 71.21 H new ATOM 0 HA TYR A 32 -9.535 8.746 0.757 1.00 71.31 H new ATOM 0 HB2 TYR A 32 -12.382 8.019 0.059 1.00 34.11 H new ATOM 0 HB3 TYR A 32 -11.065 7.136 -0.687 1.00 34.11 H new ATOM 0 HD1 TYR A 32 -12.321 8.157 2.720 1.00 1.04 H new ATOM 0 HD2 TYR A 32 -10.112 5.286 0.457 1.00 43.42 H new ATOM 0 HE1 TYR A 32 -12.135 6.734 4.701 1.00 65.51 H new ATOM 0 HE2 TYR A 32 -9.934 3.871 2.439 1.00 14.11 H new ATOM 0 HH TYR A 32 -10.422 3.596 4.573 1.00 62.41 H new ATOM 506 N PRO A 33 -11.037 9.935 -2.090 1.00 62.23 N ATOM 507 CA PRO A 33 -10.707 10.232 -3.507 1.00 41.35 C ATOM 508 C PRO A 33 -9.736 11.421 -3.645 1.00 23.02 C ATOM 509 O PRO A 33 -8.680 11.289 -4.273 1.00 63.03 O ATOM 510 CB PRO A 33 -12.081 10.512 -4.161 1.00 75.42 C ATOM 511 CG PRO A 33 -12.961 10.970 -3.034 1.00 43.04 C ATOM 512 CD PRO A 33 -12.488 10.211 -1.812 1.00 31.30 C ATOM 0 HA PRO A 33 -10.181 9.409 -3.991 1.00 41.35 H new ATOM 0 HB2 PRO A 33 -12.002 11.275 -4.935 1.00 75.42 H new ATOM 0 HB3 PRO A 33 -12.482 9.617 -4.636 1.00 75.42 H new ATOM 0 HG2 PRO A 33 -12.877 12.046 -2.884 1.00 43.04 H new ATOM 0 HG3 PRO A 33 -14.009 10.759 -3.245 1.00 43.04 H new ATOM 0 HD2 PRO A 33 -12.615 10.800 -0.903 1.00 31.30 H new ATOM 0 HD3 PRO A 33 -13.050 9.287 -1.674 1.00 31.30 H new ATOM 520 N GLN A 34 -10.069 12.563 -3.003 1.00 0.42 N ATOM 521 CA GLN A 34 -9.227 13.768 -3.054 1.00 50.13 C ATOM 522 C GLN A 34 -7.869 13.493 -2.390 1.00 11.01 C ATOM 523 O GLN A 34 -6.845 13.994 -2.852 1.00 13.04 O ATOM 524 CB GLN A 34 -9.939 14.973 -2.384 1.00 73.35 C ATOM 525 CG GLN A 34 -11.249 15.408 -3.064 1.00 4.24 C ATOM 526 CD GLN A 34 -11.042 15.913 -4.494 1.00 22.20 C ATOM 527 OE1 GLN A 34 -10.804 17.096 -4.726 1.00 22.11 O ATOM 528 NE2 GLN A 34 -11.130 15.024 -5.465 1.00 22.33 N ATOM 0 H GLN A 34 -10.916 12.670 -2.445 1.00 0.42 H new ATOM 0 HA GLN A 34 -9.056 14.026 -4.099 1.00 50.13 H new ATOM 0 HB2 GLN A 34 -10.152 14.720 -1.345 1.00 73.35 H new ATOM 0 HB3 GLN A 34 -9.254 15.821 -2.371 1.00 73.35 H new ATOM 0 HG2 GLN A 34 -11.941 14.566 -3.079 1.00 4.24 H new ATOM 0 HG3 GLN A 34 -11.716 16.194 -2.471 1.00 4.24 H new ATOM 0 HE21 GLN A 34 -11.329 14.048 -5.246 1.00 22.33 H new ATOM 0 HE22 GLN A 34 -10.999 15.313 -6.434 1.00 22.33 H new ATOM 537 N ALA A 35 -7.887 12.652 -1.329 1.00 4.15 N ATOM 538 CA ALA A 35 -6.674 12.180 -0.636 1.00 74.32 C ATOM 539 C ALA A 35 -5.743 11.446 -1.608 1.00 24.14 C ATOM 540 O ALA A 35 -4.526 11.611 -1.532 1.00 35.12 O ATOM 541 CB ALA A 35 -7.039 11.273 0.554 1.00 40.24 C ATOM 0 H ALA A 35 -8.750 12.282 -0.931 1.00 4.15 H new ATOM 0 HA ALA A 35 -6.146 13.052 -0.250 1.00 74.32 H new ATOM 0 HB1 ALA A 35 -6.128 10.938 1.049 1.00 40.24 H new ATOM 0 HB2 ALA A 35 -7.652 11.831 1.262 1.00 40.24 H new ATOM 0 HB3 ALA A 35 -7.596 10.408 0.195 1.00 40.24 H new ATOM 547 N MET A 36 -6.336 10.699 -2.578 1.00 45.21 N ATOM 548 CA MET A 36 -5.570 9.940 -3.590 1.00 24.43 C ATOM 549 C MET A 36 -4.878 10.906 -4.545 1.00 14.43 C ATOM 550 O MET A 36 -3.757 10.666 -4.968 1.00 2.04 O ATOM 551 CB MET A 36 -6.513 9.009 -4.386 1.00 55.14 C ATOM 552 CG MET A 36 -7.100 7.841 -3.587 1.00 54.43 C ATOM 553 SD MET A 36 -8.702 7.294 -4.220 1.00 1.43 S ATOM 554 CE MET A 36 -8.432 7.282 -5.992 1.00 0.25 C ATOM 0 H MET A 36 -7.347 10.610 -2.676 1.00 45.21 H new ATOM 0 HA MET A 36 -4.820 9.334 -3.082 1.00 24.43 H new ATOM 0 HB2 MET A 36 -7.334 9.605 -4.785 1.00 55.14 H new ATOM 0 HB3 MET A 36 -5.966 8.607 -5.239 1.00 55.14 H new ATOM 0 HG2 MET A 36 -6.401 7.005 -3.608 1.00 54.43 H new ATOM 0 HG3 MET A 36 -7.209 8.139 -2.544 1.00 54.43 H new ATOM 0 HE1 MET A 36 -9.200 6.676 -6.473 1.00 0.25 H new ATOM 0 HE2 MET A 36 -8.482 8.301 -6.375 1.00 0.25 H new ATOM 0 HE3 MET A 36 -7.450 6.861 -6.208 1.00 0.25 H new ATOM 564 N LYS A 37 -5.577 12.012 -4.851 1.00 61.00 N ATOM 565 CA LYS A 37 -5.081 13.064 -5.754 1.00 65.24 C ATOM 566 C LYS A 37 -4.034 13.933 -5.045 1.00 11.33 C ATOM 567 O LYS A 37 -3.171 14.518 -5.694 1.00 53.43 O ATOM 568 CB LYS A 37 -6.259 13.927 -6.268 1.00 1.43 C ATOM 569 CG LYS A 37 -7.427 13.096 -6.838 1.00 23.25 C ATOM 570 CD LYS A 37 -8.484 13.952 -7.569 1.00 13.13 C ATOM 571 CE LYS A 37 -9.636 13.104 -8.134 1.00 72.00 C ATOM 572 NZ LYS A 37 -10.532 13.894 -9.028 1.00 61.42 N ATOM 0 H LYS A 37 -6.507 12.202 -4.477 1.00 61.00 H new ATOM 0 HA LYS A 37 -4.602 12.592 -6.612 1.00 65.24 H new ATOM 0 HB2 LYS A 37 -6.629 14.546 -5.451 1.00 1.43 H new ATOM 0 HB3 LYS A 37 -5.894 14.603 -7.041 1.00 1.43 H new ATOM 0 HG2 LYS A 37 -7.031 12.351 -7.529 1.00 23.25 H new ATOM 0 HG3 LYS A 37 -7.908 12.553 -6.025 1.00 23.25 H new ATOM 0 HD2 LYS A 37 -8.887 14.694 -6.880 1.00 13.13 H new ATOM 0 HD3 LYS A 37 -8.006 14.499 -8.382 1.00 13.13 H new ATOM 0 HE2 LYS A 37 -9.226 12.260 -8.688 1.00 72.00 H new ATOM 0 HE3 LYS A 37 -10.219 12.692 -7.311 1.00 72.00 H new ATOM 0 HZ1 LYS A 37 -11.293 13.282 -9.385 1.00 61.42 H new ATOM 0 HZ2 LYS A 37 -10.945 14.685 -8.494 1.00 61.42 H new ATOM 0 HZ3 LYS A 37 -9.983 14.266 -9.829 1.00 61.42 H new ATOM 586 N HIS A 38 -4.128 13.995 -3.704 1.00 0.25 N ATOM 587 CA HIS A 38 -3.113 14.650 -2.858 1.00 14.20 C ATOM 588 C HIS A 38 -1.851 13.778 -2.767 1.00 54.44 C ATOM 589 O HIS A 38 -0.742 14.297 -2.612 1.00 12.13 O ATOM 590 CB HIS A 38 -3.664 14.975 -1.448 1.00 4.13 C ATOM 591 CG HIS A 38 -4.651 16.110 -1.427 1.00 53.05 C ATOM 592 ND1 HIS A 38 -5.936 16.166 -1.021 1.00 33.33 N flip ATOM 593 CD2 HIS A 38 -4.338 17.381 -1.860 1.00 3.41 C flip ATOM 594 CE1 HIS A 38 -6.369 17.445 -1.208 1.00 40.42 C flip ATOM 595 NE2 HIS A 38 -5.388 18.161 -1.716 1.00 3.44 N flip ATOM 0 H HIS A 38 -4.905 13.595 -3.179 1.00 0.25 H new ATOM 0 HA HIS A 38 -2.849 15.598 -3.327 1.00 14.20 H new ATOM 0 HB2 HIS A 38 -4.141 14.084 -1.041 1.00 4.13 H new ATOM 0 HB3 HIS A 38 -2.830 15.219 -0.790 1.00 4.13 H new ATOM 0 HD2 HIS A 38 -3.381 17.688 -2.255 1.00 3.41 H new ATOM 0 HE1 HIS A 38 -7.358 17.812 -0.977 1.00 40.42 H new ATOM 0 HE2 HIS A 38 -5.434 19.151 -1.957 1.00 3.44 H new ATOM 604 N TYR A 39 -2.031 12.452 -2.869 1.00 33.31 N ATOM 605 CA TYR A 39 -0.908 11.515 -3.009 1.00 4.33 C ATOM 606 C TYR A 39 -0.346 11.574 -4.431 1.00 3.05 C ATOM 607 O TYR A 39 0.849 11.473 -4.607 1.00 72.22 O ATOM 608 CB TYR A 39 -1.327 10.066 -2.648 1.00 72.33 C ATOM 609 CG TYR A 39 -1.671 9.878 -1.164 1.00 54.41 C ATOM 610 CD1 TYR A 39 -0.814 10.350 -0.163 1.00 42.35 C ATOM 611 CD2 TYR A 39 -2.845 9.234 -0.758 1.00 41.33 C ATOM 612 CE1 TYR A 39 -1.116 10.189 1.170 1.00 63.13 C ATOM 613 CE2 TYR A 39 -3.148 9.078 0.577 1.00 63.15 C ATOM 614 CZ TYR A 39 -2.287 9.548 1.536 1.00 43.52 C ATOM 615 OH TYR A 39 -2.598 9.377 2.865 1.00 14.41 O ATOM 0 H TYR A 39 -2.947 12.004 -2.857 1.00 33.31 H new ATOM 0 HA TYR A 39 -0.130 11.816 -2.308 1.00 4.33 H new ATOM 0 HB2 TYR A 39 -2.191 9.785 -3.251 1.00 72.33 H new ATOM 0 HB3 TYR A 39 -0.518 9.386 -2.914 1.00 72.33 H new ATOM 0 HD1 TYR A 39 0.102 10.850 -0.442 1.00 42.35 H new ATOM 0 HD2 TYR A 39 -3.526 8.852 -1.504 1.00 41.33 H new ATOM 0 HE1 TYR A 39 -0.442 10.561 1.927 1.00 63.13 H new ATOM 0 HE2 TYR A 39 -4.064 8.585 0.869 1.00 63.15 H new ATOM 0 HH TYR A 39 -3.456 8.909 2.943 1.00 14.41 H new ATOM 625 N THR A 40 -1.219 11.778 -5.428 1.00 61.11 N ATOM 626 CA THR A 40 -0.822 11.830 -6.846 1.00 20.41 C ATOM 627 C THR A 40 0.021 13.088 -7.139 1.00 21.14 C ATOM 628 O THR A 40 0.997 13.018 -7.885 1.00 74.43 O ATOM 629 CB THR A 40 -2.074 11.769 -7.783 1.00 14.14 C ATOM 630 OG1 THR A 40 -2.796 10.563 -7.511 1.00 52.34 O ATOM 631 CG2 THR A 40 -1.710 11.799 -9.279 1.00 64.14 C ATOM 0 H THR A 40 -2.219 11.912 -5.277 1.00 61.11 H new ATOM 0 HA THR A 40 -0.205 10.955 -7.051 1.00 20.41 H new ATOM 0 HB THR A 40 -2.675 12.655 -7.577 1.00 14.14 H new ATOM 0 HG1 THR A 40 -3.225 10.630 -6.632 1.00 52.34 H new ATOM 0 HG21 THR A 40 -2.621 11.754 -9.876 1.00 64.14 H new ATOM 0 HG22 THR A 40 -1.173 12.721 -9.504 1.00 64.14 H new ATOM 0 HG23 THR A 40 -1.078 10.944 -9.517 1.00 64.14 H new ATOM 639 N GLU A 41 -0.343 14.231 -6.517 1.00 13.13 N ATOM 640 CA GLU A 41 0.442 15.480 -6.631 1.00 70.21 C ATOM 641 C GLU A 41 1.726 15.379 -5.785 1.00 12.31 C ATOM 642 O GLU A 41 2.734 16.011 -6.106 1.00 61.12 O ATOM 643 CB GLU A 41 -0.392 16.723 -6.229 1.00 24.25 C ATOM 644 CG GLU A 41 -0.776 16.794 -4.746 1.00 14.23 C ATOM 645 CD GLU A 41 -1.616 18.026 -4.400 1.00 63.32 C ATOM 646 OE1 GLU A 41 -1.029 19.114 -4.217 1.00 75.31 O ATOM 647 OE2 GLU A 41 -2.857 17.918 -4.311 1.00 74.32 O ATOM 0 H GLU A 41 -1.174 14.314 -5.932 1.00 13.13 H new ATOM 0 HA GLU A 41 0.720 15.607 -7.677 1.00 70.21 H new ATOM 0 HB2 GLU A 41 0.173 17.619 -6.486 1.00 24.25 H new ATOM 0 HB3 GLU A 41 -1.304 16.739 -6.826 1.00 24.25 H new ATOM 0 HG2 GLU A 41 -1.332 15.896 -4.478 1.00 14.23 H new ATOM 0 HG3 GLU A 41 0.131 16.799 -4.142 1.00 14.23 H new ATOM 654 N ALA A 42 1.673 14.559 -4.711 1.00 73.13 N ATOM 655 CA ALA A 42 2.860 14.208 -3.920 1.00 11.33 C ATOM 656 C ALA A 42 3.816 13.337 -4.748 1.00 40.31 C ATOM 657 O ALA A 42 5.023 13.455 -4.615 1.00 25.44 O ATOM 658 CB ALA A 42 2.453 13.514 -2.616 1.00 50.31 C ATOM 0 H ALA A 42 0.811 14.129 -4.376 1.00 73.13 H new ATOM 0 HA ALA A 42 3.389 15.123 -3.654 1.00 11.33 H new ATOM 0 HB1 ALA A 42 3.346 13.262 -2.044 1.00 50.31 H new ATOM 0 HB2 ALA A 42 1.823 14.183 -2.029 1.00 50.31 H new ATOM 0 HB3 ALA A 42 1.900 12.603 -2.846 1.00 50.31 H new ATOM 664 N ILE A 43 3.238 12.501 -5.638 1.00 62.43 N ATOM 665 CA ILE A 43 3.983 11.691 -6.623 1.00 64.32 C ATOM 666 C ILE A 43 4.635 12.614 -7.678 1.00 33.00 C ATOM 667 O ILE A 43 5.723 12.330 -8.171 1.00 11.00 O ATOM 668 CB ILE A 43 3.032 10.592 -7.305 1.00 41.34 C ATOM 669 CG1 ILE A 43 3.144 9.208 -6.589 1.00 22.43 C ATOM 670 CG2 ILE A 43 3.273 10.422 -8.831 1.00 3.21 C ATOM 671 CD1 ILE A 43 2.600 9.128 -5.184 1.00 63.23 C ATOM 0 H ILE A 43 2.228 12.369 -5.692 1.00 62.43 H new ATOM 0 HA ILE A 43 4.776 11.150 -6.106 1.00 64.32 H new ATOM 0 HB ILE A 43 2.019 10.976 -7.183 1.00 41.34 H new ATOM 0 HG12 ILE A 43 2.626 8.467 -7.198 1.00 22.43 H new ATOM 0 HG13 ILE A 43 4.195 8.921 -6.564 1.00 22.43 H new ATOM 0 HG21 ILE A 43 2.596 9.664 -9.224 1.00 3.21 H new ATOM 0 HG22 ILE A 43 3.089 11.370 -9.336 1.00 3.21 H new ATOM 0 HG23 ILE A 43 4.304 10.113 -9.004 1.00 3.21 H new ATOM 0 HD11 ILE A 43 2.737 8.118 -4.798 1.00 63.23 H new ATOM 0 HD12 ILE A 43 3.132 9.835 -4.547 1.00 63.23 H new ATOM 0 HD13 ILE A 43 1.538 9.373 -5.191 1.00 63.23 H new ATOM 683 N LYS A 44 3.961 13.732 -8.012 1.00 13.23 N ATOM 684 CA LYS A 44 4.508 14.732 -8.964 1.00 32.11 C ATOM 685 C LYS A 44 5.728 15.460 -8.360 1.00 64.22 C ATOM 686 O LYS A 44 6.529 16.056 -9.085 1.00 41.31 O ATOM 687 CB LYS A 44 3.418 15.753 -9.387 1.00 20.43 C ATOM 688 CG LYS A 44 2.131 15.131 -9.967 1.00 11.02 C ATOM 689 CD LYS A 44 2.379 14.198 -11.176 1.00 53.00 C ATOM 690 CE LYS A 44 1.089 13.508 -11.650 1.00 35.02 C ATOM 691 NZ LYS A 44 1.340 12.588 -12.793 1.00 24.15 N ATOM 0 H LYS A 44 3.041 13.969 -7.641 1.00 13.23 H new ATOM 0 HA LYS A 44 4.837 14.197 -9.855 1.00 32.11 H new ATOM 0 HB2 LYS A 44 3.152 16.358 -8.520 1.00 20.43 H new ATOM 0 HB3 LYS A 44 3.843 16.429 -10.129 1.00 20.43 H new ATOM 0 HG2 LYS A 44 1.625 14.568 -9.183 1.00 11.02 H new ATOM 0 HG3 LYS A 44 1.456 15.932 -10.270 1.00 11.02 H new ATOM 0 HD2 LYS A 44 2.803 14.775 -11.997 1.00 53.00 H new ATOM 0 HD3 LYS A 44 3.115 13.441 -10.904 1.00 53.00 H new ATOM 0 HE2 LYS A 44 0.651 12.949 -10.823 1.00 35.02 H new ATOM 0 HE3 LYS A 44 0.360 14.263 -11.945 1.00 35.02 H new ATOM 0 HZ1 LYS A 44 0.446 12.143 -13.083 1.00 24.15 H new ATOM 0 HZ2 LYS A 44 1.734 13.126 -13.591 1.00 24.15 H new ATOM 0 HZ3 LYS A 44 2.016 11.852 -12.504 1.00 24.15 H new ATOM 705 N ARG A 45 5.839 15.395 -7.024 1.00 23.14 N ATOM 706 CA ARG A 45 6.958 15.963 -6.257 1.00 71.14 C ATOM 707 C ARG A 45 8.034 14.897 -5.976 1.00 60.05 C ATOM 708 O ARG A 45 9.230 15.211 -5.943 1.00 40.01 O ATOM 709 CB ARG A 45 6.417 16.554 -4.934 1.00 40.35 C ATOM 710 CG ARG A 45 5.385 17.683 -5.122 1.00 62.14 C ATOM 711 CD ARG A 45 5.981 18.923 -5.797 1.00 24.21 C ATOM 712 NE ARG A 45 4.966 19.942 -6.063 1.00 41.44 N ATOM 713 CZ ARG A 45 5.135 21.021 -6.841 1.00 31.10 C ATOM 714 NH1 ARG A 45 6.306 21.242 -7.450 1.00 11.33 N ATOM 715 NH2 ARG A 45 4.135 21.866 -7.023 1.00 64.23 N ATOM 0 H ARG A 45 5.141 14.938 -6.437 1.00 23.14 H new ATOM 0 HA ARG A 45 7.426 16.754 -6.843 1.00 71.14 H new ATOM 0 HB2 ARG A 45 5.961 15.754 -4.351 1.00 40.35 H new ATOM 0 HB3 ARG A 45 7.255 16.936 -4.350 1.00 40.35 H new ATOM 0 HG2 ARG A 45 4.553 17.313 -5.721 1.00 62.14 H new ATOM 0 HG3 ARG A 45 4.978 17.963 -4.150 1.00 62.14 H new ATOM 0 HD2 ARG A 45 6.759 19.344 -5.160 1.00 24.21 H new ATOM 0 HD3 ARG A 45 6.458 18.633 -6.733 1.00 24.21 H new ATOM 0 HE ARG A 45 4.055 19.822 -5.620 1.00 41.44 H new ATOM 0 HH11 ARG A 45 7.078 20.587 -7.324 1.00 11.33 H new ATOM 0 HH12 ARG A 45 6.427 22.065 -8.040 1.00 11.33 H new ATOM 0 HH21 ARG A 45 3.236 21.697 -6.572 1.00 64.23 H new ATOM 0 HH22 ARG A 45 4.262 22.687 -7.615 1.00 64.23 H new ATOM 729 N ASN A 46 7.599 13.640 -5.765 1.00 32.43 N ATOM 730 CA ASN A 46 8.497 12.491 -5.509 1.00 23.41 C ATOM 731 C ASN A 46 7.959 11.196 -6.181 1.00 34.14 C ATOM 732 O ASN A 46 7.309 10.373 -5.540 1.00 21.23 O ATOM 733 CB ASN A 46 8.803 12.305 -3.973 1.00 52.54 C ATOM 734 CG ASN A 46 7.606 12.441 -3.008 1.00 12.04 C ATOM 735 OD1 ASN A 46 7.658 13.222 -2.066 1.00 21.02 O ATOM 736 ND2 ASN A 46 6.546 11.665 -3.183 1.00 42.32 N ATOM 0 H ASN A 46 6.610 13.389 -5.767 1.00 32.43 H new ATOM 0 HA ASN A 46 9.457 12.712 -5.976 1.00 23.41 H new ATOM 0 HB2 ASN A 46 9.245 11.319 -3.831 1.00 52.54 H new ATOM 0 HB3 ASN A 46 9.558 13.037 -3.685 1.00 52.54 H new ATOM 0 HD21 ASN A 46 5.764 11.715 -2.530 1.00 42.32 H new ATOM 0 HD22 ASN A 46 6.512 11.018 -3.971 1.00 42.32 H new ATOM 743 N PRO A 47 8.223 11.001 -7.516 1.00 54.23 N ATOM 744 CA PRO A 47 7.741 9.803 -8.262 1.00 62.13 C ATOM 745 C PRO A 47 8.458 8.503 -7.843 1.00 73.04 C ATOM 746 O PRO A 47 7.883 7.414 -7.916 1.00 50.03 O ATOM 747 CB PRO A 47 8.038 10.172 -9.738 1.00 64.40 C ATOM 748 CG PRO A 47 9.199 11.119 -9.669 1.00 64.35 C ATOM 749 CD PRO A 47 8.982 11.932 -8.407 1.00 61.44 C ATOM 0 HA PRO A 47 6.690 9.590 -8.068 1.00 62.13 H new ATOM 0 HB2 PRO A 47 8.283 9.287 -10.325 1.00 64.40 H new ATOM 0 HB3 PRO A 47 7.174 10.639 -10.211 1.00 64.40 H new ATOM 0 HG2 PRO A 47 10.145 10.579 -9.630 1.00 64.35 H new ATOM 0 HG3 PRO A 47 9.235 11.761 -10.549 1.00 64.35 H new ATOM 0 HD2 PRO A 47 9.928 12.235 -7.958 1.00 61.44 H new ATOM 0 HD3 PRO A 47 8.418 12.843 -8.609 1.00 61.44 H new ATOM 757 N LYS A 48 9.715 8.625 -7.393 1.00 30.03 N ATOM 758 CA LYS A 48 10.547 7.465 -7.013 1.00 62.31 C ATOM 759 C LYS A 48 10.126 6.912 -5.640 1.00 71.25 C ATOM 760 O LYS A 48 10.496 5.785 -5.278 1.00 73.42 O ATOM 761 CB LYS A 48 12.049 7.863 -7.002 1.00 52.12 C ATOM 762 CG LYS A 48 12.547 8.553 -8.295 1.00 5.14 C ATOM 763 CD LYS A 48 12.390 7.671 -9.552 1.00 61.31 C ATOM 764 CE LYS A 48 12.931 8.362 -10.818 1.00 11.41 C ATOM 765 NZ LYS A 48 12.796 7.499 -12.023 1.00 31.44 N ATOM 0 H LYS A 48 10.185 9.523 -7.281 1.00 30.03 H new ATOM 0 HA LYS A 48 10.397 6.679 -7.753 1.00 62.31 H new ATOM 0 HB2 LYS A 48 12.227 8.530 -6.159 1.00 52.12 H new ATOM 0 HB3 LYS A 48 12.646 6.967 -6.832 1.00 52.12 H new ATOM 0 HG2 LYS A 48 11.995 9.482 -8.439 1.00 5.14 H new ATOM 0 HG3 LYS A 48 13.597 8.821 -8.175 1.00 5.14 H new ATOM 0 HD2 LYS A 48 12.917 6.729 -9.401 1.00 61.31 H new ATOM 0 HD3 LYS A 48 11.337 7.428 -9.694 1.00 61.31 H new ATOM 0 HE2 LYS A 48 12.394 9.297 -10.979 1.00 11.41 H new ATOM 0 HE3 LYS A 48 13.980 8.619 -10.671 1.00 11.41 H new ATOM 0 HZ1 LYS A 48 13.171 8.001 -12.853 1.00 31.44 H new ATOM 0 HZ2 LYS A 48 13.330 6.618 -11.880 1.00 31.44 H new ATOM 0 HZ3 LYS A 48 11.792 7.275 -12.179 1.00 31.44 H new ATOM 779 N ASP A 49 9.355 7.728 -4.891 1.00 72.25 N ATOM 780 CA ASP A 49 8.851 7.385 -3.553 1.00 42.53 C ATOM 781 C ASP A 49 7.708 6.360 -3.693 1.00 31.45 C ATOM 782 O ASP A 49 6.548 6.725 -3.921 1.00 61.33 O ATOM 783 CB ASP A 49 8.375 8.671 -2.805 1.00 51.13 C ATOM 784 CG ASP A 49 8.351 8.500 -1.278 1.00 10.45 C ATOM 785 OD1 ASP A 49 7.350 7.998 -0.723 1.00 44.23 O ATOM 786 OD2 ASP A 49 9.355 8.860 -0.620 1.00 64.41 O ATOM 0 H ASP A 49 9.064 8.653 -5.206 1.00 72.25 H new ATOM 0 HA ASP A 49 9.650 6.940 -2.960 1.00 42.53 H new ATOM 0 HB2 ASP A 49 9.034 9.500 -3.062 1.00 51.13 H new ATOM 0 HB3 ASP A 49 7.377 8.938 -3.151 1.00 51.13 H new ATOM 791 N ALA A 50 8.067 5.074 -3.596 1.00 3.15 N ATOM 792 CA ALA A 50 7.159 3.951 -3.874 1.00 21.00 C ATOM 793 C ALA A 50 6.122 3.739 -2.758 1.00 5.50 C ATOM 794 O ALA A 50 4.968 3.397 -3.038 1.00 34.55 O ATOM 795 CB ALA A 50 7.985 2.693 -4.110 1.00 25.32 C ATOM 0 H ALA A 50 9.004 4.780 -3.320 1.00 3.15 H new ATOM 0 HA ALA A 50 6.586 4.187 -4.771 1.00 21.00 H new ATOM 0 HB1 ALA A 50 7.320 1.855 -4.317 1.00 25.32 H new ATOM 0 HB2 ALA A 50 8.649 2.848 -4.960 1.00 25.32 H new ATOM 0 HB3 ALA A 50 8.578 2.475 -3.222 1.00 25.32 H new ATOM 801 N LYS A 51 6.532 3.952 -1.492 1.00 63.25 N ATOM 802 CA LYS A 51 5.606 3.849 -0.330 1.00 62.55 C ATOM 803 C LYS A 51 4.489 4.912 -0.394 1.00 61.13 C ATOM 804 O LYS A 51 3.463 4.785 0.281 1.00 12.11 O ATOM 805 CB LYS A 51 6.326 3.841 1.058 1.00 33.01 C ATOM 806 CG LYS A 51 7.172 5.083 1.440 1.00 60.12 C ATOM 807 CD LYS A 51 8.533 5.139 0.710 1.00 22.12 C ATOM 808 CE LYS A 51 9.500 6.171 1.307 1.00 25.52 C ATOM 809 NZ LYS A 51 10.728 6.313 0.478 1.00 54.24 N ATOM 0 H LYS A 51 7.490 4.195 -1.241 1.00 63.25 H new ATOM 0 HA LYS A 51 5.139 2.868 -0.416 1.00 62.55 H new ATOM 0 HB2 LYS A 51 5.567 3.703 1.828 1.00 33.01 H new ATOM 0 HB3 LYS A 51 6.978 2.968 1.092 1.00 33.01 H new ATOM 0 HG2 LYS A 51 6.606 5.985 1.210 1.00 60.12 H new ATOM 0 HG3 LYS A 51 7.344 5.081 2.516 1.00 60.12 H new ATOM 0 HD2 LYS A 51 8.997 4.153 0.745 1.00 22.12 H new ATOM 0 HD3 LYS A 51 8.364 5.375 -0.341 1.00 22.12 H new ATOM 0 HE2 LYS A 51 9.000 7.136 1.386 1.00 25.52 H new ATOM 0 HE3 LYS A 51 9.775 5.871 2.318 1.00 25.52 H new ATOM 0 HZ1 LYS A 51 11.402 6.940 0.961 1.00 54.24 H new ATOM 0 HZ2 LYS A 51 11.163 5.379 0.339 1.00 54.24 H new ATOM 0 HZ3 LYS A 51 10.478 6.720 -0.446 1.00 54.24 H new ATOM 823 N LEU A 52 4.702 5.964 -1.202 1.00 24.43 N ATOM 824 CA LEU A 52 3.667 6.967 -1.508 1.00 64.53 C ATOM 825 C LEU A 52 2.564 6.375 -2.437 1.00 3.54 C ATOM 826 O LEU A 52 1.374 6.691 -2.268 1.00 30.13 O ATOM 827 CB LEU A 52 4.330 8.260 -2.096 1.00 21.34 C ATOM 828 CG LEU A 52 4.035 9.582 -1.317 1.00 33.41 C ATOM 829 CD1 LEU A 52 2.561 10.021 -1.468 1.00 11.40 C ATOM 830 CD2 LEU A 52 4.419 9.429 0.176 1.00 43.13 C ATOM 0 H LEU A 52 5.595 6.143 -1.661 1.00 24.43 H new ATOM 0 HA LEU A 52 3.162 7.252 -0.585 1.00 64.53 H new ATOM 0 HB2 LEU A 52 5.409 8.111 -2.128 1.00 21.34 H new ATOM 0 HB3 LEU A 52 3.994 8.383 -3.126 1.00 21.34 H new ATOM 0 HG LEU A 52 4.650 10.368 -1.754 1.00 33.41 H new ATOM 0 HD11 LEU A 52 2.397 10.944 -0.912 1.00 11.40 H new ATOM 0 HD12 LEU A 52 2.337 10.188 -2.522 1.00 11.40 H new ATOM 0 HD13 LEU A 52 1.907 9.241 -1.077 1.00 11.40 H new ATOM 0 HD21 LEU A 52 4.207 10.359 0.703 1.00 43.13 H new ATOM 0 HD22 LEU A 52 3.839 8.620 0.620 1.00 43.13 H new ATOM 0 HD23 LEU A 52 5.482 9.200 0.257 1.00 43.13 H new ATOM 842 N TYR A 53 2.966 5.501 -3.389 1.00 11.01 N ATOM 843 CA TYR A 53 2.016 4.743 -4.254 1.00 74.51 C ATOM 844 C TYR A 53 1.215 3.706 -3.446 1.00 52.24 C ATOM 845 O TYR A 53 0.105 3.338 -3.840 1.00 41.02 O ATOM 846 CB TYR A 53 2.762 4.019 -5.409 1.00 55.01 C ATOM 847 CG TYR A 53 3.226 4.941 -6.538 1.00 54.53 C ATOM 848 CD1 TYR A 53 2.370 5.254 -7.600 1.00 50.51 C ATOM 849 CD2 TYR A 53 4.508 5.495 -6.553 1.00 71.20 C ATOM 850 CE1 TYR A 53 2.779 6.077 -8.625 1.00 22.41 C ATOM 851 CE2 TYR A 53 4.916 6.320 -7.582 1.00 61.12 C ATOM 852 CZ TYR A 53 4.052 6.607 -8.615 1.00 3.05 C ATOM 853 OH TYR A 53 4.453 7.443 -9.638 1.00 1.21 O ATOM 0 H TYR A 53 3.947 5.299 -3.582 1.00 11.01 H new ATOM 0 HA TYR A 53 1.325 5.474 -4.673 1.00 74.51 H new ATOM 0 HB2 TYR A 53 3.630 3.503 -4.998 1.00 55.01 H new ATOM 0 HB3 TYR A 53 2.106 3.255 -5.827 1.00 55.01 H new ATOM 0 HD1 TYR A 53 1.371 4.843 -7.616 1.00 50.51 H new ATOM 0 HD2 TYR A 53 5.191 5.274 -5.746 1.00 71.20 H new ATOM 0 HE1 TYR A 53 2.104 6.307 -9.436 1.00 22.41 H new ATOM 0 HE2 TYR A 53 5.911 6.740 -7.577 1.00 61.12 H new ATOM 0 HH TYR A 53 5.376 7.732 -9.482 1.00 1.21 H new ATOM 863 N SER A 54 1.798 3.241 -2.327 1.00 25.21 N ATOM 864 CA SER A 54 1.168 2.253 -1.429 1.00 52.43 C ATOM 865 C SER A 54 -0.162 2.771 -0.842 1.00 25.11 C ATOM 866 O SER A 54 -1.096 1.991 -0.619 1.00 55.13 O ATOM 867 CB SER A 54 2.141 1.902 -0.291 1.00 73.44 C ATOM 868 OG SER A 54 3.392 1.463 -0.803 1.00 72.04 O ATOM 0 H SER A 54 2.723 3.540 -2.018 1.00 25.21 H new ATOM 0 HA SER A 54 0.941 1.363 -2.016 1.00 52.43 H new ATOM 0 HB2 SER A 54 2.291 2.774 0.345 1.00 73.44 H new ATOM 0 HB3 SER A 54 1.707 1.122 0.335 1.00 73.44 H new ATOM 0 HG SER A 54 3.269 1.112 -1.710 1.00 72.04 H new ATOM 874 N ASN A 55 -0.224 4.102 -0.609 1.00 44.22 N ATOM 875 CA ASN A 55 -1.424 4.773 -0.064 1.00 34.11 C ATOM 876 C ASN A 55 -2.564 4.773 -1.098 1.00 33.04 C ATOM 877 O ASN A 55 -3.735 4.595 -0.744 1.00 53.30 O ATOM 878 CB ASN A 55 -1.115 6.226 0.364 1.00 72.45 C ATOM 879 CG ASN A 55 0.005 6.335 1.398 1.00 3.32 C ATOM 880 OD1 ASN A 55 -0.220 6.201 2.600 1.00 51.21 O ATOM 881 ND2 ASN A 55 1.206 6.630 0.938 1.00 2.32 N ATOM 0 H ASN A 55 0.553 4.737 -0.793 1.00 44.22 H new ATOM 0 HA ASN A 55 -1.736 4.212 0.817 1.00 34.11 H new ATOM 0 HB2 ASN A 55 -0.841 6.805 -0.518 1.00 72.45 H new ATOM 0 HB3 ASN A 55 -2.020 6.676 0.772 1.00 72.45 H new ATOM 0 HD21 ASN A 55 1.984 6.754 1.586 1.00 2.32 H new ATOM 0 HD22 ASN A 55 1.356 6.734 -0.065 1.00 2.32 H new ATOM 888 N ARG A 56 -2.188 4.975 -2.380 1.00 40.42 N ATOM 889 CA ARG A 56 -3.116 4.895 -3.528 1.00 32.43 C ATOM 890 C ARG A 56 -3.750 3.490 -3.591 1.00 11.14 C ATOM 891 O ARG A 56 -4.978 3.357 -3.635 1.00 3.12 O ATOM 892 CB ARG A 56 -2.366 5.226 -4.858 1.00 41.25 C ATOM 893 CG ARG A 56 -1.962 6.713 -5.017 1.00 23.53 C ATOM 894 CD ARG A 56 -0.953 6.938 -6.169 1.00 4.31 C ATOM 895 NE ARG A 56 -1.325 6.223 -7.410 1.00 65.42 N ATOM 896 CZ ARG A 56 -1.990 6.739 -8.457 1.00 22.34 C ATOM 897 NH1 ARG A 56 -2.394 8.010 -8.465 1.00 52.11 N ATOM 898 NH2 ARG A 56 -2.273 5.966 -9.498 1.00 0.10 N ATOM 0 H ARG A 56 -1.230 5.199 -2.648 1.00 40.42 H new ATOM 0 HA ARG A 56 -3.910 5.630 -3.396 1.00 32.43 H new ATOM 0 HB2 ARG A 56 -1.468 4.611 -4.916 1.00 41.25 H new ATOM 0 HB3 ARG A 56 -3.001 4.944 -5.698 1.00 41.25 H new ATOM 0 HG2 ARG A 56 -2.855 7.310 -5.200 1.00 23.53 H new ATOM 0 HG3 ARG A 56 -1.526 7.069 -4.083 1.00 23.53 H new ATOM 0 HD2 ARG A 56 -0.881 8.005 -6.379 1.00 4.31 H new ATOM 0 HD3 ARG A 56 0.035 6.609 -5.849 1.00 4.31 H new ATOM 0 HE ARG A 56 -1.050 5.243 -7.477 1.00 65.42 H new ATOM 0 HH11 ARG A 56 -2.199 8.612 -7.665 1.00 52.11 H new ATOM 0 HH12 ARG A 56 -2.897 8.380 -9.271 1.00 52.11 H new ATOM 0 HH21 ARG A 56 -1.986 4.987 -9.499 1.00 0.10 H new ATOM 0 HH22 ARG A 56 -2.778 6.351 -10.297 1.00 0.10 H new ATOM 912 N ALA A 57 -2.879 2.461 -3.528 1.00 40.25 N ATOM 913 CA ALA A 57 -3.277 1.037 -3.552 1.00 73.42 C ATOM 914 C ALA A 57 -4.218 0.683 -2.379 1.00 21.15 C ATOM 915 O ALA A 57 -5.177 -0.086 -2.543 1.00 50.33 O ATOM 916 CB ALA A 57 -2.019 0.150 -3.534 1.00 65.31 C ATOM 0 H ALA A 57 -1.870 2.596 -3.458 1.00 40.25 H new ATOM 0 HA ALA A 57 -3.834 0.853 -4.471 1.00 73.42 H new ATOM 0 HB1 ALA A 57 -2.313 -0.899 -3.552 1.00 65.31 H new ATOM 0 HB2 ALA A 57 -1.406 0.370 -4.408 1.00 65.31 H new ATOM 0 HB3 ALA A 57 -1.445 0.351 -2.629 1.00 65.31 H new ATOM 922 N ALA A 58 -3.938 1.287 -1.209 1.00 41.42 N ATOM 923 CA ALA A 58 -4.728 1.099 0.022 1.00 3.42 C ATOM 924 C ALA A 58 -6.143 1.695 -0.100 1.00 65.40 C ATOM 925 O ALA A 58 -7.076 1.217 0.551 1.00 42.10 O ATOM 926 CB ALA A 58 -3.987 1.722 1.213 1.00 0.03 C ATOM 0 H ALA A 58 -3.151 1.924 -1.091 1.00 41.42 H new ATOM 0 HA ALA A 58 -4.844 0.027 0.183 1.00 3.42 H new ATOM 0 HB1 ALA A 58 -4.574 1.581 2.121 1.00 0.03 H new ATOM 0 HB2 ALA A 58 -3.016 1.240 1.330 1.00 0.03 H new ATOM 0 HB3 ALA A 58 -3.844 2.788 1.035 1.00 0.03 H new ATOM 932 N CYS A 59 -6.285 2.751 -0.916 1.00 40.44 N ATOM 933 CA CYS A 59 -7.585 3.395 -1.167 1.00 53.43 C ATOM 934 C CYS A 59 -8.396 2.609 -2.220 1.00 71.52 C ATOM 935 O CYS A 59 -9.607 2.398 -2.047 1.00 53.32 O ATOM 936 CB CYS A 59 -7.369 4.847 -1.621 1.00 15.23 C ATOM 937 SG CYS A 59 -6.452 5.854 -0.432 1.00 41.51 S ATOM 0 H CYS A 59 -5.508 3.181 -1.418 1.00 40.44 H new ATOM 0 HA CYS A 59 -8.158 3.397 -0.240 1.00 53.43 H new ATOM 0 HB2 CYS A 59 -6.834 4.845 -2.571 1.00 15.23 H new ATOM 0 HB3 CYS A 59 -8.339 5.309 -1.803 1.00 15.23 H new ATOM 0 HG CYS A 59 -5.233 5.413 -0.339 1.00 41.51 H new ATOM 943 N TYR A 60 -7.696 2.145 -3.290 1.00 41.54 N ATOM 944 CA TYR A 60 -8.320 1.422 -4.429 1.00 52.13 C ATOM 945 C TYR A 60 -9.103 0.175 -3.991 1.00 73.22 C ATOM 946 O TYR A 60 -10.045 -0.225 -4.674 1.00 1.32 O ATOM 947 CB TYR A 60 -7.261 1.013 -5.486 1.00 10.11 C ATOM 948 CG TYR A 60 -6.621 2.176 -6.248 1.00 70.54 C ATOM 949 CD1 TYR A 60 -7.387 3.252 -6.705 1.00 55.40 C ATOM 950 CD2 TYR A 60 -5.253 2.186 -6.535 1.00 21.43 C ATOM 951 CE1 TYR A 60 -6.808 4.289 -7.402 1.00 74.10 C ATOM 952 CE2 TYR A 60 -4.674 3.221 -7.228 1.00 23.22 C ATOM 953 CZ TYR A 60 -5.452 4.269 -7.661 1.00 5.13 C ATOM 954 OH TYR A 60 -4.876 5.306 -8.352 1.00 54.15 O ATOM 0 H TYR A 60 -6.687 2.262 -3.386 1.00 41.54 H new ATOM 0 HA TYR A 60 -9.027 2.124 -4.870 1.00 52.13 H new ATOM 0 HB2 TYR A 60 -6.473 0.448 -4.988 1.00 10.11 H new ATOM 0 HB3 TYR A 60 -7.729 0.341 -6.206 1.00 10.11 H new ATOM 0 HD1 TYR A 60 -8.449 3.270 -6.509 1.00 55.40 H new ATOM 0 HD2 TYR A 60 -4.638 1.362 -6.205 1.00 21.43 H new ATOM 0 HE1 TYR A 60 -7.413 5.115 -7.745 1.00 74.10 H new ATOM 0 HE2 TYR A 60 -3.613 3.212 -7.432 1.00 23.22 H new ATOM 0 HH TYR A 60 -5.373 6.132 -8.177 1.00 54.15 H new ATOM 964 N THR A 61 -8.705 -0.425 -2.856 1.00 21.24 N ATOM 965 CA THR A 61 -9.428 -1.558 -2.257 1.00 41.33 C ATOM 966 C THR A 61 -10.888 -1.153 -1.951 1.00 12.35 C ATOM 967 O THR A 61 -11.840 -1.811 -2.400 1.00 65.11 O ATOM 968 CB THR A 61 -8.726 -2.055 -0.949 1.00 71.21 C ATOM 969 OG1 THR A 61 -8.676 -0.995 0.020 1.00 2.01 O ATOM 970 CG2 THR A 61 -7.300 -2.565 -1.228 1.00 25.14 C ATOM 0 H THR A 61 -7.878 -0.140 -2.331 1.00 21.24 H new ATOM 0 HA THR A 61 -9.423 -2.378 -2.976 1.00 41.33 H new ATOM 0 HB THR A 61 -9.313 -2.885 -0.556 1.00 71.21 H new ATOM 0 HG1 THR A 61 -7.896 -0.428 -0.155 1.00 2.01 H new ATOM 0 HG21 THR A 61 -6.845 -2.901 -0.296 1.00 25.14 H new ATOM 0 HG22 THR A 61 -7.342 -3.396 -1.932 1.00 25.14 H new ATOM 0 HG23 THR A 61 -6.702 -1.759 -1.653 1.00 25.14 H new ATOM 978 N LYS A 62 -11.029 0.014 -1.287 1.00 30.20 N ATOM 979 CA LYS A 62 -12.326 0.536 -0.801 1.00 43.12 C ATOM 980 C LYS A 62 -13.237 0.905 -1.977 1.00 62.33 C ATOM 981 O LYS A 62 -14.461 0.807 -1.889 1.00 12.20 O ATOM 982 CB LYS A 62 -12.083 1.789 0.083 1.00 1.10 C ATOM 983 CG LYS A 62 -11.160 1.544 1.293 1.00 12.50 C ATOM 984 CD LYS A 62 -11.749 0.541 2.306 1.00 60.53 C ATOM 985 CE LYS A 62 -10.897 0.420 3.579 1.00 21.13 C ATOM 986 NZ LYS A 62 -11.519 -0.508 4.564 1.00 0.11 N ATOM 0 H LYS A 62 -10.241 0.625 -1.071 1.00 30.20 H new ATOM 0 HA LYS A 62 -12.816 -0.240 -0.213 1.00 43.12 H new ATOM 0 HB2 LYS A 62 -11.651 2.576 -0.535 1.00 1.10 H new ATOM 0 HB3 LYS A 62 -13.044 2.157 0.443 1.00 1.10 H new ATOM 0 HG2 LYS A 62 -10.198 1.173 0.940 1.00 12.50 H new ATOM 0 HG3 LYS A 62 -10.971 2.492 1.797 1.00 12.50 H new ATOM 0 HD2 LYS A 62 -12.758 0.853 2.576 1.00 60.53 H new ATOM 0 HD3 LYS A 62 -11.834 -0.438 1.835 1.00 60.53 H new ATOM 0 HE2 LYS A 62 -9.901 0.062 3.319 1.00 21.13 H new ATOM 0 HE3 LYS A 62 -10.774 1.404 4.031 1.00 21.13 H new ATOM 0 HZ1 LYS A 62 -10.919 -0.567 5.412 1.00 0.11 H new ATOM 0 HZ2 LYS A 62 -12.460 -0.153 4.830 1.00 0.11 H new ATOM 0 HZ3 LYS A 62 -11.613 -1.453 4.139 1.00 0.11 H new ATOM 1000 N LEU A 63 -12.597 1.326 -3.072 1.00 20.30 N ATOM 1001 CA LEU A 63 -13.272 1.779 -4.293 1.00 32.02 C ATOM 1002 C LEU A 63 -13.487 0.622 -5.287 1.00 1.43 C ATOM 1003 O LEU A 63 -13.975 0.859 -6.400 1.00 30.03 O ATOM 1004 CB LEU A 63 -12.429 2.910 -4.938 1.00 53.12 C ATOM 1005 CG LEU A 63 -12.116 4.136 -4.025 1.00 71.24 C ATOM 1006 CD1 LEU A 63 -11.258 5.175 -4.768 1.00 42.34 C ATOM 1007 CD2 LEU A 63 -13.408 4.770 -3.466 1.00 30.21 C ATOM 0 H LEU A 63 -11.580 1.362 -3.136 1.00 20.30 H new ATOM 0 HA LEU A 63 -14.260 2.157 -4.031 1.00 32.02 H new ATOM 0 HB2 LEU A 63 -11.485 2.484 -5.277 1.00 53.12 H new ATOM 0 HB3 LEU A 63 -12.954 3.267 -5.824 1.00 53.12 H new ATOM 0 HG LEU A 63 -11.538 3.774 -3.175 1.00 71.24 H new ATOM 0 HD11 LEU A 63 -11.055 6.018 -4.108 1.00 42.34 H new ATOM 0 HD12 LEU A 63 -10.316 4.718 -5.073 1.00 42.34 H new ATOM 0 HD13 LEU A 63 -11.794 5.525 -5.650 1.00 42.34 H new ATOM 0 HD21 LEU A 63 -13.152 5.621 -2.835 1.00 30.21 H new ATOM 0 HD22 LEU A 63 -14.035 5.106 -4.292 1.00 30.21 H new ATOM 0 HD23 LEU A 63 -13.950 4.031 -2.876 1.00 30.21 H new ATOM 1019 N LEU A 64 -13.113 -0.623 -4.882 1.00 22.11 N ATOM 1020 CA LEU A 64 -13.281 -1.844 -5.715 1.00 23.12 C ATOM 1021 C LEU A 64 -12.438 -1.776 -7.013 1.00 14.14 C ATOM 1022 O LEU A 64 -12.722 -2.470 -7.988 1.00 34.51 O ATOM 1023 CB LEU A 64 -14.797 -2.130 -6.029 1.00 40.55 C ATOM 1024 CG LEU A 64 -15.690 -2.638 -4.844 1.00 32.10 C ATOM 1025 CD1 LEU A 64 -15.121 -3.928 -4.222 1.00 11.14 C ATOM 1026 CD2 LEU A 64 -15.924 -1.551 -3.770 1.00 63.01 C ATOM 0 H LEU A 64 -12.689 -0.806 -3.973 1.00 22.11 H new ATOM 0 HA LEU A 64 -12.905 -2.683 -5.129 1.00 23.12 H new ATOM 0 HB2 LEU A 64 -15.240 -1.213 -6.418 1.00 40.55 H new ATOM 0 HB3 LEU A 64 -14.843 -2.870 -6.828 1.00 40.55 H new ATOM 0 HG LEU A 64 -16.666 -2.873 -5.269 1.00 32.10 H new ATOM 0 HD11 LEU A 64 -15.764 -4.252 -3.404 1.00 11.14 H new ATOM 0 HD12 LEU A 64 -15.077 -4.709 -4.981 1.00 11.14 H new ATOM 0 HD13 LEU A 64 -14.118 -3.736 -3.841 1.00 11.14 H new ATOM 0 HD21 LEU A 64 -16.548 -1.955 -2.973 1.00 63.01 H new ATOM 0 HD22 LEU A 64 -14.966 -1.236 -3.356 1.00 63.01 H new ATOM 0 HD23 LEU A 64 -16.423 -0.694 -4.222 1.00 63.01 H new ATOM 1038 N GLU A 65 -11.396 -0.935 -6.996 1.00 52.04 N ATOM 1039 CA GLU A 65 -10.419 -0.782 -8.088 1.00 40.22 C ATOM 1040 C GLU A 65 -9.135 -1.561 -7.740 1.00 51.23 C ATOM 1041 O GLU A 65 -8.022 -1.073 -7.957 1.00 73.43 O ATOM 1042 CB GLU A 65 -10.131 0.735 -8.304 1.00 52.13 C ATOM 1043 CG GLU A 65 -11.356 1.534 -8.777 1.00 61.11 C ATOM 1044 CD GLU A 65 -11.112 3.048 -8.884 1.00 45.11 C ATOM 1045 OE1 GLU A 65 -10.509 3.497 -9.878 1.00 23.22 O ATOM 1046 OE2 GLU A 65 -11.557 3.799 -7.992 1.00 41.44 O ATOM 0 H GLU A 65 -11.202 -0.325 -6.202 1.00 52.04 H new ATOM 0 HA GLU A 65 -10.817 -1.190 -9.017 1.00 40.22 H new ATOM 0 HB2 GLU A 65 -9.767 1.163 -7.370 1.00 52.13 H new ATOM 0 HB3 GLU A 65 -9.332 0.843 -9.037 1.00 52.13 H new ATOM 0 HG2 GLU A 65 -11.669 1.157 -9.751 1.00 61.11 H new ATOM 0 HG3 GLU A 65 -12.181 1.357 -8.087 1.00 61.11 H new ATOM 1053 N PHE A 66 -9.319 -2.804 -7.237 1.00 50.13 N ATOM 1054 CA PHE A 66 -8.221 -3.716 -6.848 1.00 33.30 C ATOM 1055 C PHE A 66 -7.207 -3.923 -7.993 1.00 73.33 C ATOM 1056 O PHE A 66 -6.020 -4.070 -7.735 1.00 14.11 O ATOM 1057 CB PHE A 66 -8.779 -5.091 -6.403 1.00 43.55 C ATOM 1058 CG PHE A 66 -9.524 -5.086 -5.068 1.00 4.45 C ATOM 1059 CD1 PHE A 66 -10.898 -4.859 -5.003 1.00 15.22 C ATOM 1060 CD2 PHE A 66 -8.838 -5.324 -3.872 1.00 1.22 C ATOM 1061 CE1 PHE A 66 -11.563 -4.874 -3.789 1.00 70.24 C ATOM 1062 CE2 PHE A 66 -9.507 -5.342 -2.664 1.00 33.44 C ATOM 1063 CZ PHE A 66 -10.867 -5.114 -2.622 1.00 5.11 C ATOM 0 H PHE A 66 -10.245 -3.205 -7.089 1.00 50.13 H new ATOM 0 HA PHE A 66 -7.703 -3.244 -6.013 1.00 33.30 H new ATOM 0 HB2 PHE A 66 -9.453 -5.460 -7.176 1.00 43.55 H new ATOM 0 HB3 PHE A 66 -7.952 -5.798 -6.337 1.00 43.55 H new ATOM 0 HD1 PHE A 66 -11.451 -4.669 -5.911 1.00 15.22 H new ATOM 0 HD2 PHE A 66 -7.772 -5.496 -3.894 1.00 1.22 H new ATOM 0 HE1 PHE A 66 -12.628 -4.698 -3.755 1.00 70.24 H new ATOM 0 HE2 PHE A 66 -8.964 -5.535 -1.750 1.00 33.44 H new ATOM 0 HZ PHE A 66 -11.387 -5.123 -1.675 1.00 5.11 H new ATOM 1073 N GLN A 67 -7.706 -3.908 -9.247 1.00 21.33 N ATOM 1074 CA GLN A 67 -6.867 -3.989 -10.463 1.00 31.11 C ATOM 1075 C GLN A 67 -5.794 -2.894 -10.474 1.00 63.42 C ATOM 1076 O GLN A 67 -4.644 -3.149 -10.849 1.00 42.33 O ATOM 1077 CB GLN A 67 -7.743 -3.867 -11.736 1.00 74.13 C ATOM 1078 CG GLN A 67 -8.681 -5.053 -11.988 1.00 1.33 C ATOM 1079 CD GLN A 67 -7.933 -6.371 -12.224 1.00 11.30 C ATOM 1080 OE1 GLN A 67 -7.569 -6.692 -13.356 1.00 34.43 O ATOM 1081 NE2 GLN A 67 -7.707 -7.149 -11.169 1.00 34.13 N ATOM 0 H GLN A 67 -8.704 -3.839 -9.446 1.00 21.33 H new ATOM 0 HA GLN A 67 -6.372 -4.960 -10.455 1.00 31.11 H new ATOM 0 HB2 GLN A 67 -8.341 -2.958 -11.663 1.00 74.13 H new ATOM 0 HB3 GLN A 67 -7.089 -3.749 -12.600 1.00 74.13 H new ATOM 0 HG2 GLN A 67 -9.348 -5.169 -11.134 1.00 1.33 H new ATOM 0 HG3 GLN A 67 -9.306 -4.837 -12.854 1.00 1.33 H new ATOM 0 HE21 GLN A 67 -8.020 -6.857 -10.243 1.00 34.13 H new ATOM 0 HE22 GLN A 67 -7.220 -8.038 -11.286 1.00 34.13 H new ATOM 1090 N LEU A 68 -6.184 -1.678 -10.040 1.00 60.55 N ATOM 1091 CA LEU A 68 -5.262 -0.542 -9.955 1.00 50.12 C ATOM 1092 C LEU A 68 -4.311 -0.736 -8.761 1.00 31.01 C ATOM 1093 O LEU A 68 -3.124 -0.476 -8.872 1.00 15.43 O ATOM 1094 CB LEU A 68 -6.015 0.805 -9.842 1.00 12.05 C ATOM 1095 CG LEU A 68 -7.081 1.121 -10.945 1.00 41.13 C ATOM 1096 CD1 LEU A 68 -7.487 2.608 -10.901 1.00 32.53 C ATOM 1097 CD2 LEU A 68 -6.615 0.711 -12.357 1.00 0.15 C ATOM 0 H LEU A 68 -7.136 -1.464 -9.743 1.00 60.55 H new ATOM 0 HA LEU A 68 -4.682 -0.506 -10.877 1.00 50.12 H new ATOM 0 HB2 LEU A 68 -6.512 0.834 -8.873 1.00 12.05 H new ATOM 0 HB3 LEU A 68 -5.277 1.607 -9.846 1.00 12.05 H new ATOM 0 HG LEU A 68 -7.959 0.515 -10.722 1.00 41.13 H new ATOM 0 HD11 LEU A 68 -8.228 2.806 -11.675 1.00 32.53 H new ATOM 0 HD12 LEU A 68 -7.912 2.840 -9.924 1.00 32.53 H new ATOM 0 HD13 LEU A 68 -6.609 3.230 -11.072 1.00 32.53 H new ATOM 0 HD21 LEU A 68 -7.393 0.953 -13.081 1.00 0.15 H new ATOM 0 HD22 LEU A 68 -5.703 1.251 -12.610 1.00 0.15 H new ATOM 0 HD23 LEU A 68 -6.420 -0.361 -12.379 1.00 0.15 H new ATOM 1109 N ALA A 69 -4.857 -1.256 -7.642 1.00 33.04 N ATOM 1110 CA ALA A 69 -4.075 -1.555 -6.416 1.00 70.15 C ATOM 1111 C ALA A 69 -2.940 -2.565 -6.699 1.00 51.24 C ATOM 1112 O ALA A 69 -1.867 -2.498 -6.080 1.00 1.13 O ATOM 1113 CB ALA A 69 -5.004 -2.078 -5.304 1.00 41.31 C ATOM 0 H ALA A 69 -5.848 -1.481 -7.559 1.00 33.04 H new ATOM 0 HA ALA A 69 -3.612 -0.627 -6.080 1.00 70.15 H new ATOM 0 HB1 ALA A 69 -4.417 -2.293 -4.411 1.00 41.31 H new ATOM 0 HB2 ALA A 69 -5.755 -1.323 -5.072 1.00 41.31 H new ATOM 0 HB3 ALA A 69 -5.498 -2.989 -5.641 1.00 41.31 H new ATOM 1119 N LEU A 70 -3.195 -3.491 -7.646 1.00 32.50 N ATOM 1120 CA LEU A 70 -2.206 -4.484 -8.092 1.00 14.12 C ATOM 1121 C LEU A 70 -1.141 -3.835 -9.001 1.00 13.22 C ATOM 1122 O LEU A 70 0.050 -3.903 -8.696 1.00 64.53 O ATOM 1123 CB LEU A 70 -2.904 -5.658 -8.838 1.00 51.45 C ATOM 1124 CG LEU A 70 -3.987 -6.453 -8.039 1.00 2.10 C ATOM 1125 CD1 LEU A 70 -4.661 -7.512 -8.929 1.00 11.04 C ATOM 1126 CD2 LEU A 70 -3.415 -7.086 -6.756 1.00 3.13 C ATOM 0 H LEU A 70 -4.094 -3.568 -8.121 1.00 32.50 H new ATOM 0 HA LEU A 70 -1.707 -4.879 -7.207 1.00 14.12 H new ATOM 0 HB2 LEU A 70 -3.370 -5.259 -9.739 1.00 51.45 H new ATOM 0 HB3 LEU A 70 -2.136 -6.360 -9.161 1.00 51.45 H new ATOM 0 HG LEU A 70 -4.747 -5.736 -7.727 1.00 2.10 H new ATOM 0 HD11 LEU A 70 -5.410 -8.051 -8.349 1.00 11.04 H new ATOM 0 HD12 LEU A 70 -5.141 -7.023 -9.777 1.00 11.04 H new ATOM 0 HD13 LEU A 70 -3.910 -8.213 -9.292 1.00 11.04 H new ATOM 0 HD21 LEU A 70 -4.204 -7.628 -6.235 1.00 3.13 H new ATOM 0 HD22 LEU A 70 -2.613 -7.776 -7.017 1.00 3.13 H new ATOM 0 HD23 LEU A 70 -3.023 -6.303 -6.107 1.00 3.13 H new ATOM 1138 N LYS A 71 -1.588 -3.178 -10.101 1.00 32.24 N ATOM 1139 CA LYS A 71 -0.674 -2.666 -11.161 1.00 54.03 C ATOM 1140 C LYS A 71 0.233 -1.529 -10.648 1.00 50.11 C ATOM 1141 O LYS A 71 1.394 -1.422 -11.064 1.00 22.00 O ATOM 1142 CB LYS A 71 -1.462 -2.218 -12.422 1.00 35.04 C ATOM 1143 CG LYS A 71 -2.358 -0.972 -12.239 1.00 25.32 C ATOM 1144 CD LYS A 71 -3.188 -0.631 -13.502 1.00 21.25 C ATOM 1145 CE LYS A 71 -4.158 -1.755 -13.904 1.00 61.40 C ATOM 1146 NZ LYS A 71 -5.001 -1.380 -15.075 1.00 23.12 N ATOM 0 H LYS A 71 -2.574 -2.989 -10.280 1.00 32.24 H new ATOM 0 HA LYS A 71 -0.026 -3.496 -11.443 1.00 54.03 H new ATOM 0 HB2 LYS A 71 -0.749 -2.017 -13.222 1.00 35.04 H new ATOM 0 HB3 LYS A 71 -2.087 -3.048 -12.752 1.00 35.04 H new ATOM 0 HG2 LYS A 71 -3.034 -1.138 -11.401 1.00 25.32 H new ATOM 0 HG3 LYS A 71 -1.733 -0.117 -11.980 1.00 25.32 H new ATOM 0 HD2 LYS A 71 -3.754 0.283 -13.322 1.00 21.25 H new ATOM 0 HD3 LYS A 71 -2.511 -0.429 -14.332 1.00 21.25 H new ATOM 0 HE2 LYS A 71 -3.590 -2.655 -14.141 1.00 61.40 H new ATOM 0 HE3 LYS A 71 -4.801 -1.997 -13.058 1.00 61.40 H new ATOM 0 HZ1 LYS A 71 -5.639 -2.167 -15.310 1.00 23.12 H new ATOM 0 HZ2 LYS A 71 -5.563 -0.537 -14.842 1.00 23.12 H new ATOM 0 HZ3 LYS A 71 -4.390 -1.174 -15.891 1.00 23.12 H new ATOM 1160 N ASP A 72 -0.307 -0.704 -9.733 1.00 72.44 N ATOM 1161 CA ASP A 72 0.463 0.343 -9.032 1.00 21.23 C ATOM 1162 C ASP A 72 1.582 -0.288 -8.197 1.00 43.55 C ATOM 1163 O ASP A 72 2.666 0.269 -8.107 1.00 53.45 O ATOM 1164 CB ASP A 72 -0.467 1.213 -8.127 1.00 55.52 C ATOM 1165 CG ASP A 72 -1.293 2.252 -8.908 1.00 54.44 C ATOM 1166 OD1 ASP A 72 -1.921 1.897 -9.929 1.00 31.22 O ATOM 1167 OD2 ASP A 72 -1.297 3.439 -8.517 1.00 33.23 O ATOM 0 H ASP A 72 -1.288 -0.743 -9.458 1.00 72.44 H new ATOM 0 HA ASP A 72 0.910 0.995 -9.783 1.00 21.23 H new ATOM 0 HB2 ASP A 72 -1.146 0.557 -7.582 1.00 55.52 H new ATOM 0 HB3 ASP A 72 0.142 1.729 -7.385 1.00 55.52 H new ATOM 1172 N CYS A 73 1.303 -1.472 -7.617 1.00 40.31 N ATOM 1173 CA CYS A 73 2.271 -2.219 -6.791 1.00 43.55 C ATOM 1174 C CYS A 73 3.310 -2.957 -7.671 1.00 31.32 C ATOM 1175 O CYS A 73 4.475 -3.090 -7.267 1.00 70.00 O ATOM 1176 CB CYS A 73 1.524 -3.203 -5.867 1.00 44.14 C ATOM 1177 SG CYS A 73 2.568 -4.037 -4.651 1.00 74.04 S ATOM 0 H CYS A 73 0.400 -1.937 -7.708 1.00 40.31 H new ATOM 0 HA CYS A 73 2.819 -1.508 -6.173 1.00 43.55 H new ATOM 0 HB2 CYS A 73 0.739 -2.661 -5.341 1.00 44.14 H new ATOM 0 HB3 CYS A 73 1.033 -3.957 -6.483 1.00 44.14 H new ATOM 0 HG CYS A 73 3.335 -3.165 -4.067 1.00 74.04 H new ATOM 1183 N GLU A 74 2.887 -3.408 -8.883 1.00 12.20 N ATOM 1184 CA GLU A 74 3.778 -4.130 -9.836 1.00 61.53 C ATOM 1185 C GLU A 74 4.944 -3.241 -10.301 1.00 44.45 C ATOM 1186 O GLU A 74 6.055 -3.721 -10.527 1.00 21.23 O ATOM 1187 CB GLU A 74 2.999 -4.633 -11.087 1.00 41.11 C ATOM 1188 CG GLU A 74 1.791 -5.545 -10.796 1.00 62.34 C ATOM 1189 CD GLU A 74 2.135 -6.788 -9.966 1.00 34.31 C ATOM 1190 OE1 GLU A 74 2.102 -6.709 -8.728 1.00 53.40 O ATOM 1191 OE2 GLU A 74 2.441 -7.855 -10.542 1.00 70.31 O ATOM 0 H GLU A 74 1.934 -3.285 -9.224 1.00 12.20 H new ATOM 0 HA GLU A 74 4.173 -4.989 -9.294 1.00 61.53 H new ATOM 0 HB2 GLU A 74 2.650 -3.766 -11.649 1.00 41.11 H new ATOM 0 HB3 GLU A 74 3.692 -5.173 -11.732 1.00 41.11 H new ATOM 0 HG2 GLU A 74 1.031 -4.968 -10.269 1.00 62.34 H new ATOM 0 HG3 GLU A 74 1.352 -5.862 -11.742 1.00 62.34 H new ATOM 1198 N GLU A 75 4.656 -1.949 -10.482 1.00 2.41 N ATOM 1199 CA GLU A 75 5.673 -0.952 -10.854 1.00 12.24 C ATOM 1200 C GLU A 75 6.363 -0.378 -9.606 1.00 2.34 C ATOM 1201 O GLU A 75 7.530 -0.005 -9.664 1.00 33.13 O ATOM 1202 CB GLU A 75 5.027 0.171 -11.689 1.00 62.04 C ATOM 1203 CG GLU A 75 3.897 0.924 -10.966 1.00 73.31 C ATOM 1204 CD GLU A 75 3.242 1.995 -11.827 1.00 71.12 C ATOM 1205 OE1 GLU A 75 2.377 1.653 -12.660 1.00 64.23 O ATOM 1206 OE2 GLU A 75 3.603 3.184 -11.690 1.00 61.25 O ATOM 0 H GLU A 75 3.718 -1.563 -10.376 1.00 2.41 H new ATOM 0 HA GLU A 75 6.437 -1.442 -11.458 1.00 12.24 H new ATOM 0 HB2 GLU A 75 5.799 0.885 -11.976 1.00 62.04 H new ATOM 0 HB3 GLU A 75 4.632 -0.258 -12.610 1.00 62.04 H new ATOM 0 HG2 GLU A 75 3.138 0.209 -10.648 1.00 73.31 H new ATOM 0 HG3 GLU A 75 4.297 1.387 -10.064 1.00 73.31 H new ATOM 1213 N CYS A 76 5.631 -0.344 -8.477 1.00 5.21 N ATOM 1214 CA CYS A 76 6.115 0.213 -7.193 1.00 43.14 C ATOM 1215 C CYS A 76 7.358 -0.547 -6.683 1.00 30.11 C ATOM 1216 O CYS A 76 8.283 0.054 -6.127 1.00 13.43 O ATOM 1217 CB CYS A 76 4.979 0.161 -6.155 1.00 23.24 C ATOM 1218 SG CYS A 76 5.302 1.019 -4.623 1.00 74.43 S ATOM 0 H CYS A 76 4.678 -0.705 -8.426 1.00 5.21 H new ATOM 0 HA CYS A 76 6.413 1.250 -7.351 1.00 43.14 H new ATOM 0 HB2 CYS A 76 4.079 0.581 -6.605 1.00 23.24 H new ATOM 0 HB3 CYS A 76 4.764 -0.883 -5.929 1.00 23.24 H new ATOM 0 HG CYS A 76 5.538 0.153 -3.682 1.00 74.43 H new ATOM 1224 N ILE A 77 7.373 -1.873 -6.933 1.00 2.44 N ATOM 1225 CA ILE A 77 8.505 -2.757 -6.587 1.00 44.22 C ATOM 1226 C ILE A 77 9.730 -2.433 -7.484 1.00 52.41 C ATOM 1227 O ILE A 77 10.878 -2.631 -7.084 1.00 44.00 O ATOM 1228 CB ILE A 77 8.041 -4.277 -6.679 1.00 73.41 C ATOM 1229 CG1 ILE A 77 9.006 -5.278 -5.941 1.00 3.41 C ATOM 1230 CG2 ILE A 77 7.806 -4.713 -8.141 1.00 13.55 C ATOM 1231 CD1 ILE A 77 10.252 -5.720 -6.702 1.00 33.25 C ATOM 0 H ILE A 77 6.598 -2.362 -7.382 1.00 2.44 H new ATOM 0 HA ILE A 77 8.823 -2.582 -5.559 1.00 44.22 H new ATOM 0 HB ILE A 77 7.090 -4.323 -6.148 1.00 73.41 H new ATOM 0 HG12 ILE A 77 9.325 -4.816 -5.007 1.00 3.41 H new ATOM 0 HG13 ILE A 77 8.435 -6.168 -5.678 1.00 3.41 H new ATOM 0 HG21 ILE A 77 7.491 -5.756 -8.163 1.00 13.55 H new ATOM 0 HG22 ILE A 77 7.031 -4.090 -8.586 1.00 13.55 H new ATOM 0 HG23 ILE A 77 8.731 -4.601 -8.707 1.00 13.55 H new ATOM 0 HD11 ILE A 77 10.831 -6.407 -6.085 1.00 33.25 H new ATOM 0 HD12 ILE A 77 9.957 -6.221 -7.624 1.00 33.25 H new ATOM 0 HD13 ILE A 77 10.860 -4.848 -6.942 1.00 33.25 H new ATOM 1243 N GLN A 78 9.463 -1.884 -8.684 1.00 55.44 N ATOM 1244 CA GLN A 78 10.512 -1.490 -9.639 1.00 20.14 C ATOM 1245 C GLN A 78 11.086 -0.108 -9.276 1.00 44.11 C ATOM 1246 O GLN A 78 12.249 0.176 -9.563 1.00 0.21 O ATOM 1247 CB GLN A 78 9.936 -1.484 -11.083 1.00 32.01 C ATOM 1248 CG GLN A 78 9.406 -2.847 -11.568 1.00 2.41 C ATOM 1249 CD GLN A 78 10.504 -3.904 -11.662 1.00 52.24 C ATOM 1250 OE1 GLN A 78 10.737 -4.631 -10.579 1.00 54.55 O flip ATOM 1251 NE2 GLN A 78 11.144 -4.061 -12.706 1.00 41.03 N flip ATOM 0 H GLN A 78 8.516 -1.702 -9.017 1.00 55.44 H new ATOM 0 HA GLN A 78 11.324 -2.215 -9.588 1.00 20.14 H new ATOM 0 HB2 GLN A 78 9.127 -0.755 -11.134 1.00 32.01 H new ATOM 0 HB3 GLN A 78 10.713 -1.146 -11.769 1.00 32.01 H new ATOM 0 HG2 GLN A 78 8.630 -3.194 -10.886 1.00 2.41 H new ATOM 0 HG3 GLN A 78 8.940 -2.725 -12.546 1.00 2.41 H new ATOM 0 HE21 GLN A 78 10.939 -3.484 -13.522 1.00 41.03 H new ATOM 0 HE22 GLN A 78 11.878 -4.768 -12.753 1.00 41.03 H new ATOM 1260 N LEU A 79 10.246 0.739 -8.659 1.00 74.44 N ATOM 1261 CA LEU A 79 10.634 2.091 -8.208 1.00 33.34 C ATOM 1262 C LEU A 79 11.535 1.999 -6.970 1.00 12.10 C ATOM 1263 O LEU A 79 12.666 2.493 -6.963 1.00 71.01 O ATOM 1264 CB LEU A 79 9.359 2.915 -7.881 1.00 22.32 C ATOM 1265 CG LEU A 79 8.368 3.118 -9.063 1.00 34.12 C ATOM 1266 CD1 LEU A 79 7.052 3.754 -8.584 1.00 52.01 C ATOM 1267 CD2 LEU A 79 9.014 3.945 -10.187 1.00 33.21 C ATOM 0 H LEU A 79 9.274 0.507 -8.457 1.00 74.44 H new ATOM 0 HA LEU A 79 11.189 2.588 -9.004 1.00 33.34 H new ATOM 0 HB2 LEU A 79 8.829 2.422 -7.066 1.00 22.32 H new ATOM 0 HB3 LEU A 79 9.665 3.895 -7.515 1.00 22.32 H new ATOM 0 HG LEU A 79 8.127 2.136 -9.470 1.00 34.12 H new ATOM 0 HD11 LEU A 79 6.380 3.883 -9.433 1.00 52.01 H new ATOM 0 HD12 LEU A 79 6.582 3.105 -7.845 1.00 52.01 H new ATOM 0 HD13 LEU A 79 7.260 4.725 -8.135 1.00 52.01 H new ATOM 0 HD21 LEU A 79 8.300 4.072 -11.001 1.00 33.21 H new ATOM 0 HD22 LEU A 79 9.302 4.923 -9.800 1.00 33.21 H new ATOM 0 HD23 LEU A 79 9.899 3.427 -10.558 1.00 33.21 H new ATOM 1279 N GLU A 80 11.003 1.359 -5.930 1.00 10.42 N ATOM 1280 CA GLU A 80 11.680 1.166 -4.644 1.00 63.35 C ATOM 1281 C GLU A 80 11.111 -0.111 -3.999 1.00 11.32 C ATOM 1282 O GLU A 80 10.017 -0.068 -3.443 1.00 1.23 O ATOM 1283 CB GLU A 80 11.476 2.427 -3.746 1.00 31.25 C ATOM 1284 CG GLU A 80 11.858 2.277 -2.254 1.00 33.52 C ATOM 1285 CD GLU A 80 11.418 3.471 -1.383 1.00 3.12 C ATOM 1286 OE1 GLU A 80 10.445 4.177 -1.745 1.00 74.34 O ATOM 1287 OE2 GLU A 80 12.041 3.709 -0.327 1.00 3.32 O ATOM 0 H GLU A 80 10.069 0.950 -5.956 1.00 10.42 H new ATOM 0 HA GLU A 80 12.755 1.043 -4.775 1.00 63.35 H new ATOM 0 HB2 GLU A 80 12.060 3.245 -4.168 1.00 31.25 H new ATOM 0 HB3 GLU A 80 10.428 2.721 -3.803 1.00 31.25 H new ATOM 0 HG2 GLU A 80 11.407 1.366 -1.862 1.00 33.52 H new ATOM 0 HG3 GLU A 80 12.939 2.158 -2.174 1.00 33.52 H new ATOM 1294 N PRO A 81 11.824 -1.279 -4.090 1.00 23.22 N ATOM 1295 CA PRO A 81 11.322 -2.586 -3.566 1.00 34.04 C ATOM 1296 C PRO A 81 11.172 -2.634 -2.025 1.00 50.02 C ATOM 1297 O PRO A 81 10.555 -3.564 -1.492 1.00 33.32 O ATOM 1298 CB PRO A 81 12.385 -3.598 -4.068 1.00 2.43 C ATOM 1299 CG PRO A 81 13.633 -2.788 -4.253 1.00 11.03 C ATOM 1300 CD PRO A 81 13.167 -1.426 -4.725 1.00 61.24 C ATOM 0 HA PRO A 81 10.311 -2.795 -3.917 1.00 34.04 H new ATOM 0 HB2 PRO A 81 12.538 -4.400 -3.346 1.00 2.43 H new ATOM 0 HB3 PRO A 81 12.075 -4.065 -5.003 1.00 2.43 H new ATOM 0 HG2 PRO A 81 14.192 -2.710 -3.320 1.00 11.03 H new ATOM 0 HG3 PRO A 81 14.296 -3.251 -4.984 1.00 11.03 H new ATOM 0 HD2 PRO A 81 13.849 -0.637 -4.409 1.00 61.24 H new ATOM 0 HD3 PRO A 81 13.105 -1.377 -5.812 1.00 61.24 H new ATOM 1308 N THR A 82 11.731 -1.629 -1.326 1.00 44.10 N ATOM 1309 CA THR A 82 11.657 -1.505 0.143 1.00 71.53 C ATOM 1310 C THR A 82 10.419 -0.703 0.601 1.00 21.22 C ATOM 1311 O THR A 82 10.383 -0.227 1.738 1.00 13.25 O ATOM 1312 CB THR A 82 12.975 -0.870 0.707 1.00 53.01 C ATOM 1313 OG1 THR A 82 13.349 0.263 -0.093 1.00 11.55 O ATOM 1314 CG2 THR A 82 14.133 -1.885 0.746 1.00 61.11 C ATOM 0 H THR A 82 12.252 -0.872 -1.769 1.00 44.10 H new ATOM 0 HA THR A 82 11.550 -2.511 0.549 1.00 71.53 H new ATOM 0 HB THR A 82 12.778 -0.554 1.731 1.00 53.01 H new ATOM 0 HG1 THR A 82 14.172 0.658 0.264 1.00 11.55 H new ATOM 0 HG21 THR A 82 15.026 -1.403 1.143 1.00 61.11 H new ATOM 0 HG22 THR A 82 13.859 -2.725 1.385 1.00 61.11 H new ATOM 0 HG23 THR A 82 14.334 -2.247 -0.262 1.00 61.11 H new ATOM 1322 N PHE A 83 9.410 -0.541 -0.280 1.00 3.31 N ATOM 1323 CA PHE A 83 8.098 0.001 0.122 1.00 44.13 C ATOM 1324 C PHE A 83 7.358 -1.097 0.946 1.00 15.33 C ATOM 1325 O PHE A 83 6.813 -2.043 0.408 1.00 1.43 O ATOM 1326 CB PHE A 83 7.294 0.486 -1.125 1.00 65.13 C ATOM 1327 CG PHE A 83 6.656 -0.605 -2.002 1.00 3.31 C ATOM 1328 CD1 PHE A 83 7.416 -1.437 -2.809 1.00 74.23 C ATOM 1329 CD2 PHE A 83 5.283 -0.812 -1.972 1.00 33.24 C ATOM 1330 CE1 PHE A 83 6.825 -2.420 -3.575 1.00 32.03 C ATOM 1331 CE2 PHE A 83 4.691 -1.799 -2.741 1.00 34.24 C ATOM 1332 CZ PHE A 83 5.464 -2.605 -3.539 1.00 62.12 C ATOM 0 H PHE A 83 9.479 -0.777 -1.270 1.00 3.31 H new ATOM 0 HA PHE A 83 8.214 0.883 0.752 1.00 44.13 H new ATOM 0 HB2 PHE A 83 6.503 1.153 -0.782 1.00 65.13 H new ATOM 0 HB3 PHE A 83 7.961 1.079 -1.751 1.00 65.13 H new ATOM 0 HD1 PHE A 83 8.489 -1.314 -2.838 1.00 74.23 H new ATOM 0 HD2 PHE A 83 4.667 -0.192 -1.338 1.00 33.24 H new ATOM 0 HE1 PHE A 83 7.436 -3.048 -4.207 1.00 32.03 H new ATOM 0 HE2 PHE A 83 3.620 -1.935 -2.713 1.00 34.24 H new ATOM 0 HZ PHE A 83 5.005 -3.380 -4.135 1.00 62.12 H new ATOM 1342 N ILE A 84 7.394 -0.994 2.266 1.00 12.15 N ATOM 1343 CA ILE A 84 7.082 -2.151 3.138 1.00 11.02 C ATOM 1344 C ILE A 84 5.564 -2.363 3.301 1.00 50.43 C ATOM 1345 O ILE A 84 5.064 -3.491 3.188 1.00 13.42 O ATOM 1346 CB ILE A 84 7.772 -2.004 4.538 1.00 74.31 C ATOM 1347 CG1 ILE A 84 9.280 -1.642 4.365 1.00 43.45 C ATOM 1348 CG2 ILE A 84 7.610 -3.303 5.351 1.00 11.22 C ATOM 1349 CD1 ILE A 84 10.064 -1.528 5.655 1.00 72.24 C ATOM 0 H ILE A 84 7.632 -0.138 2.767 1.00 12.15 H new ATOM 0 HA ILE A 84 7.483 -3.036 2.645 1.00 11.02 H new ATOM 0 HB ILE A 84 7.288 -1.195 5.085 1.00 74.31 H new ATOM 0 HG12 ILE A 84 9.750 -2.399 3.738 1.00 43.45 H new ATOM 0 HG13 ILE A 84 9.352 -0.695 3.829 1.00 43.45 H new ATOM 0 HG21 ILE A 84 8.094 -3.188 6.321 1.00 11.22 H new ATOM 0 HG22 ILE A 84 6.550 -3.511 5.496 1.00 11.22 H new ATOM 0 HG23 ILE A 84 8.072 -4.130 4.811 1.00 11.22 H new ATOM 0 HD11 ILE A 84 11.100 -1.274 5.430 1.00 72.24 H new ATOM 0 HD12 ILE A 84 9.626 -0.749 6.279 1.00 72.24 H new ATOM 0 HD13 ILE A 84 10.031 -2.479 6.186 1.00 72.24 H new ATOM 1361 N LYS A 85 4.837 -1.261 3.535 1.00 63.22 N ATOM 1362 CA LYS A 85 3.386 -1.307 3.833 1.00 54.12 C ATOM 1363 C LYS A 85 2.566 -1.547 2.563 1.00 0.41 C ATOM 1364 O LYS A 85 1.407 -1.960 2.649 1.00 11.41 O ATOM 1365 CB LYS A 85 2.924 -0.016 4.576 1.00 23.12 C ATOM 1366 CG LYS A 85 3.215 -0.021 6.099 1.00 24.31 C ATOM 1367 CD LYS A 85 4.720 -0.147 6.447 1.00 43.53 C ATOM 1368 CE LYS A 85 4.967 -0.290 7.953 1.00 13.22 C ATOM 1369 NZ LYS A 85 4.386 0.837 8.722 1.00 51.32 N ATOM 0 H LYS A 85 5.227 -0.319 3.525 1.00 63.22 H new ATOM 0 HA LYS A 85 3.209 -2.151 4.500 1.00 54.12 H new ATOM 0 HB2 LYS A 85 3.418 0.845 4.126 1.00 23.12 H new ATOM 0 HB3 LYS A 85 1.853 0.115 4.422 1.00 23.12 H new ATOM 0 HG2 LYS A 85 2.826 0.898 6.537 1.00 24.31 H new ATOM 0 HG3 LYS A 85 2.674 -0.848 6.560 1.00 24.31 H new ATOM 0 HD2 LYS A 85 5.137 -1.011 5.930 1.00 43.53 H new ATOM 0 HD3 LYS A 85 5.249 0.731 6.078 1.00 43.53 H new ATOM 0 HE2 LYS A 85 4.536 -1.228 8.303 1.00 13.22 H new ATOM 0 HE3 LYS A 85 6.039 -0.342 8.141 1.00 13.22 H new ATOM 0 HZ1 LYS A 85 5.040 1.113 9.482 1.00 51.32 H new ATOM 0 HZ2 LYS A 85 4.231 1.647 8.088 1.00 51.32 H new ATOM 0 HZ3 LYS A 85 3.478 0.543 9.136 1.00 51.32 H new ATOM 1383 N GLY A 86 3.184 -1.313 1.392 1.00 1.32 N ATOM 1384 CA GLY A 86 2.563 -1.638 0.117 1.00 2.24 C ATOM 1385 C GLY A 86 2.407 -3.131 -0.087 1.00 61.44 C ATOM 1386 O GLY A 86 1.456 -3.556 -0.725 1.00 1.11 O ATOM 0 H GLY A 86 4.113 -0.900 1.313 1.00 1.32 H new ATOM 0 HA2 GLY A 86 1.584 -1.162 0.062 1.00 2.24 H new ATOM 0 HA3 GLY A 86 3.164 -1.225 -0.693 1.00 2.24 H new ATOM 1390 N TYR A 87 3.350 -3.915 0.476 1.00 5.44 N ATOM 1391 CA TYR A 87 3.241 -5.387 0.537 1.00 30.34 C ATOM 1392 C TYR A 87 2.035 -5.808 1.396 1.00 4.44 C ATOM 1393 O TYR A 87 1.320 -6.747 1.051 1.00 3.13 O ATOM 1394 CB TYR A 87 4.547 -6.027 1.097 1.00 53.11 C ATOM 1395 CG TYR A 87 5.728 -6.027 0.114 1.00 32.31 C ATOM 1396 CD1 TYR A 87 6.329 -4.843 -0.282 1.00 53.33 C ATOM 1397 CD2 TYR A 87 6.241 -7.211 -0.422 1.00 61.23 C ATOM 1398 CE1 TYR A 87 7.387 -4.826 -1.159 1.00 75.31 C ATOM 1399 CE2 TYR A 87 7.305 -7.198 -1.305 1.00 45.03 C ATOM 1400 CZ TYR A 87 7.871 -6.000 -1.673 1.00 15.43 C ATOM 1401 OH TYR A 87 8.931 -5.976 -2.553 1.00 52.50 O ATOM 0 H TYR A 87 4.203 -3.548 0.898 1.00 5.44 H new ATOM 0 HA TYR A 87 3.092 -5.750 -0.480 1.00 30.34 H new ATOM 0 HB2 TYR A 87 4.841 -5.491 1.999 1.00 53.11 H new ATOM 0 HB3 TYR A 87 4.336 -7.055 1.392 1.00 53.11 H new ATOM 0 HD1 TYR A 87 5.956 -3.908 0.109 1.00 53.33 H new ATOM 0 HD2 TYR A 87 5.798 -8.155 -0.141 1.00 61.23 H new ATOM 0 HE1 TYR A 87 7.837 -3.886 -1.443 1.00 75.31 H new ATOM 0 HE2 TYR A 87 7.690 -8.125 -1.704 1.00 45.03 H new ATOM 0 HH TYR A 87 9.533 -5.238 -2.320 1.00 52.50 H new ATOM 1411 N THR A 88 1.810 -5.086 2.506 1.00 54.04 N ATOM 1412 CA THR A 88 0.680 -5.344 3.411 1.00 1.45 C ATOM 1413 C THR A 88 -0.679 -5.126 2.687 1.00 21.14 C ATOM 1414 O THR A 88 -1.613 -5.922 2.849 1.00 71.44 O ATOM 1415 CB THR A 88 0.778 -4.431 4.678 1.00 43.44 C ATOM 1416 OG1 THR A 88 2.111 -4.489 5.218 1.00 75.42 O ATOM 1417 CG2 THR A 88 -0.226 -4.846 5.763 1.00 11.32 C ATOM 0 H THR A 88 2.404 -4.311 2.800 1.00 54.04 H new ATOM 0 HA THR A 88 0.730 -6.386 3.726 1.00 1.45 H new ATOM 0 HB THR A 88 0.540 -3.413 4.368 1.00 43.44 H new ATOM 0 HG1 THR A 88 2.215 -3.800 5.907 1.00 75.42 H new ATOM 0 HG21 THR A 88 -0.124 -4.186 6.625 1.00 11.32 H new ATOM 0 HG22 THR A 88 -1.239 -4.773 5.368 1.00 11.32 H new ATOM 0 HG23 THR A 88 -0.028 -5.874 6.068 1.00 11.32 H new ATOM 1425 N ARG A 89 -0.753 -4.060 1.851 1.00 11.23 N ATOM 1426 CA ARG A 89 -1.991 -3.700 1.110 1.00 31.33 C ATOM 1427 C ARG A 89 -2.182 -4.619 -0.112 1.00 51.11 C ATOM 1428 O ARG A 89 -3.313 -4.955 -0.481 1.00 62.34 O ATOM 1429 CB ARG A 89 -1.966 -2.207 0.651 1.00 1.24 C ATOM 1430 CG ARG A 89 -1.521 -1.193 1.729 1.00 41.35 C ATOM 1431 CD ARG A 89 -2.280 -1.316 3.066 1.00 74.01 C ATOM 1432 NE ARG A 89 -1.693 -0.439 4.095 1.00 35.13 N ATOM 1433 CZ ARG A 89 -1.472 -0.762 5.382 1.00 44.41 C ATOM 1434 NH1 ARG A 89 -1.788 -1.975 5.844 1.00 1.41 N ATOM 1435 NH2 ARG A 89 -0.935 0.126 6.205 1.00 31.13 N ATOM 0 H ARG A 89 0.031 -3.433 1.672 1.00 11.23 H new ATOM 0 HA ARG A 89 -2.830 -3.836 1.792 1.00 31.33 H new ATOM 0 HB2 ARG A 89 -1.298 -2.118 -0.206 1.00 1.24 H new ATOM 0 HB3 ARG A 89 -2.963 -1.933 0.307 1.00 1.24 H new ATOM 0 HG2 ARG A 89 -0.455 -1.323 1.916 1.00 41.35 H new ATOM 0 HG3 ARG A 89 -1.655 -0.184 1.340 1.00 41.35 H new ATOM 0 HD2 ARG A 89 -3.328 -1.056 2.917 1.00 74.01 H new ATOM 0 HD3 ARG A 89 -2.254 -2.351 3.408 1.00 74.01 H new ATOM 0 HE ARG A 89 -1.429 0.502 3.804 1.00 35.13 H new ATOM 0 HH11 ARG A 89 -2.201 -2.667 5.219 1.00 1.41 H new ATOM 0 HH12 ARG A 89 -1.616 -2.209 6.822 1.00 1.41 H new ATOM 0 HH21 ARG A 89 -0.689 1.055 5.863 1.00 31.13 H new ATOM 0 HH22 ARG A 89 -0.768 -0.119 7.181 1.00 31.13 H new ATOM 1449 N LYS A 90 -1.045 -5.007 -0.720 1.00 13.20 N ATOM 1450 CA LYS A 90 -0.987 -5.894 -1.889 1.00 32.52 C ATOM 1451 C LYS A 90 -1.534 -7.280 -1.531 1.00 73.22 C ATOM 1452 O LYS A 90 -2.316 -7.861 -2.279 1.00 64.13 O ATOM 1453 CB LYS A 90 0.482 -6.021 -2.379 1.00 52.12 C ATOM 1454 CG LYS A 90 0.690 -6.984 -3.558 1.00 3.11 C ATOM 1455 CD LYS A 90 -0.087 -6.556 -4.820 1.00 50.22 C ATOM 1456 CE LYS A 90 0.175 -7.507 -5.986 1.00 61.34 C ATOM 1457 NZ LYS A 90 1.626 -7.642 -6.256 1.00 0.44 N ATOM 0 H LYS A 90 -0.124 -4.704 -0.403 1.00 13.20 H new ATOM 0 HA LYS A 90 -1.599 -5.468 -2.685 1.00 32.52 H new ATOM 0 HB2 LYS A 90 0.840 -5.033 -2.668 1.00 52.12 H new ATOM 0 HB3 LYS A 90 1.101 -6.352 -1.545 1.00 52.12 H new ATOM 0 HG2 LYS A 90 1.753 -7.041 -3.792 1.00 3.11 H new ATOM 0 HG3 LYS A 90 0.375 -7.985 -3.264 1.00 3.11 H new ATOM 0 HD2 LYS A 90 -1.155 -6.532 -4.601 1.00 50.22 H new ATOM 0 HD3 LYS A 90 0.203 -5.544 -5.102 1.00 50.22 H new ATOM 0 HE2 LYS A 90 -0.248 -8.486 -5.761 1.00 61.34 H new ATOM 0 HE3 LYS A 90 -0.330 -7.139 -6.879 1.00 61.34 H new ATOM 0 HZ1 LYS A 90 1.787 -7.664 -7.283 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 2.133 -6.833 -5.843 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 1.978 -8.524 -5.831 1.00 0.44 H new ATOM 1471 N ALA A 91 -1.097 -7.777 -0.375 1.00 64.02 N ATOM 1472 CA ALA A 91 -1.501 -9.077 0.145 1.00 12.12 C ATOM 1473 C ALA A 91 -2.991 -9.079 0.535 1.00 41.51 C ATOM 1474 O ALA A 91 -3.697 -10.062 0.305 1.00 32.13 O ATOM 1475 CB ALA A 91 -0.605 -9.428 1.323 1.00 30.54 C ATOM 0 H ALA A 91 -0.445 -7.280 0.232 1.00 64.02 H new ATOM 0 HA ALA A 91 -1.385 -9.837 -0.628 1.00 12.12 H new ATOM 0 HB1 ALA A 91 -0.895 -10.399 1.724 1.00 30.54 H new ATOM 0 HB2 ALA A 91 0.433 -9.467 0.992 1.00 30.54 H new ATOM 0 HB3 ALA A 91 -0.710 -8.669 2.099 1.00 30.54 H new ATOM 1481 N ALA A 92 -3.458 -7.943 1.090 1.00 53.34 N ATOM 1482 CA ALA A 92 -4.887 -7.719 1.390 1.00 2.24 C ATOM 1483 C ALA A 92 -5.734 -7.689 0.097 1.00 43.44 C ATOM 1484 O ALA A 92 -6.901 -8.084 0.100 1.00 71.14 O ATOM 1485 CB ALA A 92 -5.063 -6.422 2.190 1.00 14.02 C ATOM 0 H ALA A 92 -2.858 -7.157 1.342 1.00 53.34 H new ATOM 0 HA ALA A 92 -5.243 -8.553 1.995 1.00 2.24 H new ATOM 0 HB1 ALA A 92 -6.120 -6.268 2.405 1.00 14.02 H new ATOM 0 HB2 ALA A 92 -4.509 -6.494 3.126 1.00 14.02 H new ATOM 0 HB3 ALA A 92 -4.685 -5.581 1.608 1.00 14.02 H new ATOM 1491 N ALA A 93 -5.127 -7.225 -1.010 1.00 4.35 N ATOM 1492 CA ALA A 93 -5.765 -7.243 -2.338 1.00 54.25 C ATOM 1493 C ALA A 93 -5.843 -8.687 -2.875 1.00 35.41 C ATOM 1494 O ALA A 93 -6.887 -9.112 -3.382 1.00 2.14 O ATOM 1495 CB ALA A 93 -5.007 -6.327 -3.309 1.00 33.41 C ATOM 0 H ALA A 93 -4.187 -6.830 -1.010 1.00 4.35 H new ATOM 0 HA ALA A 93 -6.782 -6.863 -2.246 1.00 54.25 H new ATOM 0 HB1 ALA A 93 -5.491 -6.352 -4.285 1.00 33.41 H new ATOM 0 HB2 ALA A 93 -5.013 -5.306 -2.926 1.00 33.41 H new ATOM 0 HB3 ALA A 93 -3.977 -6.672 -3.406 1.00 33.41 H new ATOM 1501 N LEU A 94 -4.732 -9.441 -2.705 1.00 40.54 N ATOM 1502 CA LEU A 94 -4.634 -10.864 -3.099 1.00 35.52 C ATOM 1503 C LEU A 94 -5.671 -11.719 -2.359 1.00 54.42 C ATOM 1504 O LEU A 94 -6.231 -12.648 -2.932 1.00 3.34 O ATOM 1505 CB LEU A 94 -3.202 -11.409 -2.838 1.00 11.10 C ATOM 1506 CG LEU A 94 -2.081 -10.790 -3.725 1.00 75.52 C ATOM 1507 CD1 LEU A 94 -0.688 -11.295 -3.307 1.00 33.24 C ATOM 1508 CD2 LEU A 94 -2.349 -11.060 -5.216 1.00 34.43 C ATOM 0 H LEU A 94 -3.875 -9.077 -2.289 1.00 40.54 H new ATOM 0 HA LEU A 94 -4.843 -10.927 -4.167 1.00 35.52 H new ATOM 0 HB2 LEU A 94 -2.951 -11.237 -1.791 1.00 11.10 H new ATOM 0 HB3 LEU A 94 -3.209 -12.488 -2.991 1.00 11.10 H new ATOM 0 HG LEU A 94 -2.094 -9.711 -3.572 1.00 75.52 H new ATOM 0 HD11 LEU A 94 0.070 -10.843 -3.947 1.00 33.24 H new ATOM 0 HD12 LEU A 94 -0.498 -11.021 -2.269 1.00 33.24 H new ATOM 0 HD13 LEU A 94 -0.649 -12.380 -3.409 1.00 33.24 H new ATOM 0 HD21 LEU A 94 -1.553 -10.618 -5.815 1.00 34.43 H new ATOM 0 HD22 LEU A 94 -2.380 -12.135 -5.391 1.00 34.43 H new ATOM 0 HD23 LEU A 94 -3.304 -10.618 -5.500 1.00 34.43 H new ATOM 1520 N GLU A 95 -5.931 -11.356 -1.093 1.00 42.15 N ATOM 1521 CA GLU A 95 -7.001 -11.948 -0.270 1.00 31.41 C ATOM 1522 C GLU A 95 -8.374 -11.860 -0.982 1.00 51.21 C ATOM 1523 O GLU A 95 -9.167 -12.811 -0.944 1.00 42.10 O ATOM 1524 CB GLU A 95 -7.068 -11.207 1.082 1.00 20.21 C ATOM 1525 CG GLU A 95 -8.135 -11.730 2.066 1.00 24.33 C ATOM 1526 CD GLU A 95 -8.424 -10.761 3.207 1.00 41.34 C ATOM 1527 OE1 GLU A 95 -7.537 -10.557 4.048 1.00 34.15 O ATOM 1528 OE2 GLU A 95 -9.536 -10.177 3.259 1.00 30.23 O ATOM 0 H GLU A 95 -5.399 -10.635 -0.605 1.00 42.15 H new ATOM 0 HA GLU A 95 -6.772 -13.002 -0.111 1.00 31.41 H new ATOM 0 HB2 GLU A 95 -6.092 -11.271 1.562 1.00 20.21 H new ATOM 0 HB3 GLU A 95 -7.260 -10.151 0.890 1.00 20.21 H new ATOM 0 HG2 GLU A 95 -9.058 -11.925 1.521 1.00 24.33 H new ATOM 0 HG3 GLU A 95 -7.802 -12.681 2.481 1.00 24.33 H new ATOM 1535 N ALA A 96 -8.610 -10.720 -1.671 1.00 50.43 N ATOM 1536 CA ALA A 96 -9.864 -10.473 -2.406 1.00 23.42 C ATOM 1537 C ALA A 96 -9.882 -11.259 -3.730 1.00 12.00 C ATOM 1538 O ALA A 96 -10.937 -11.446 -4.333 1.00 51.02 O ATOM 1539 CB ALA A 96 -10.045 -8.970 -2.656 1.00 14.45 C ATOM 0 H ALA A 96 -7.940 -9.953 -1.731 1.00 50.43 H new ATOM 0 HA ALA A 96 -10.699 -10.822 -1.799 1.00 23.42 H new ATOM 0 HB1 ALA A 96 -10.975 -8.801 -3.200 1.00 14.45 H new ATOM 0 HB2 ALA A 96 -10.082 -8.444 -1.702 1.00 14.45 H new ATOM 0 HB3 ALA A 96 -9.207 -8.596 -3.245 1.00 14.45 H new ATOM 1545 N MET A 97 -8.694 -11.727 -4.169 1.00 44.34 N ATOM 1546 CA MET A 97 -8.549 -12.568 -5.372 1.00 4.41 C ATOM 1547 C MET A 97 -8.547 -14.061 -4.973 1.00 33.13 C ATOM 1548 O MET A 97 -8.332 -14.925 -5.827 1.00 21.45 O ATOM 1549 CB MET A 97 -7.234 -12.201 -6.115 1.00 61.14 C ATOM 1550 CG MET A 97 -7.114 -10.724 -6.483 1.00 35.12 C ATOM 1551 SD MET A 97 -8.497 -10.155 -7.492 1.00 5.53 S ATOM 1552 CE MET A 97 -8.128 -8.410 -7.626 1.00 62.42 C ATOM 0 H MET A 97 -7.810 -11.531 -3.698 1.00 44.34 H new ATOM 0 HA MET A 97 -9.390 -12.388 -6.041 1.00 4.41 H new ATOM 0 HB2 MET A 97 -6.386 -12.478 -5.488 1.00 61.14 H new ATOM 0 HB3 MET A 97 -7.165 -12.797 -7.025 1.00 61.14 H new ATOM 0 HG2 MET A 97 -7.063 -10.128 -5.572 1.00 35.12 H new ATOM 0 HG3 MET A 97 -6.182 -10.561 -7.024 1.00 35.12 H new ATOM 0 HE1 MET A 97 -9.043 -7.833 -7.490 1.00 62.42 H new ATOM 0 HE2 MET A 97 -7.406 -8.131 -6.859 1.00 62.42 H new ATOM 0 HE3 MET A 97 -7.710 -8.201 -8.611 1.00 62.42 H new ATOM 1562 N LYS A 98 -8.782 -14.330 -3.655 1.00 34.11 N ATOM 1563 CA LYS A 98 -8.786 -15.681 -3.036 1.00 34.33 C ATOM 1564 C LYS A 98 -7.377 -16.303 -2.992 1.00 33.54 C ATOM 1565 O LYS A 98 -7.224 -17.481 -2.663 1.00 50.43 O ATOM 1566 CB LYS A 98 -9.808 -16.638 -3.732 1.00 15.20 C ATOM 1567 CG LYS A 98 -11.275 -16.130 -3.757 1.00 45.41 C ATOM 1568 CD LYS A 98 -11.889 -15.934 -2.351 1.00 23.23 C ATOM 1569 CE LYS A 98 -11.943 -17.232 -1.522 1.00 31.41 C ATOM 1570 NZ LYS A 98 -12.796 -18.276 -2.141 1.00 31.11 N ATOM 0 H LYS A 98 -8.978 -13.591 -2.980 1.00 34.11 H new ATOM 0 HA LYS A 98 -9.112 -15.549 -2.004 1.00 34.33 H new ATOM 0 HB2 LYS A 98 -9.482 -16.809 -4.758 1.00 15.20 H new ATOM 0 HB3 LYS A 98 -9.783 -17.602 -3.225 1.00 15.20 H new ATOM 0 HG2 LYS A 98 -11.313 -15.183 -4.296 1.00 45.41 H new ATOM 0 HG3 LYS A 98 -11.886 -16.839 -4.315 1.00 45.41 H new ATOM 0 HD2 LYS A 98 -11.307 -15.189 -1.809 1.00 23.23 H new ATOM 0 HD3 LYS A 98 -12.898 -15.536 -2.455 1.00 23.23 H new ATOM 0 HE2 LYS A 98 -10.932 -17.621 -1.399 1.00 31.41 H new ATOM 0 HE3 LYS A 98 -12.321 -17.005 -0.525 1.00 31.41 H new ATOM 0 HZ1 LYS A 98 -12.809 -19.119 -1.533 1.00 31.11 H new ATOM 0 HZ2 LYS A 98 -13.764 -17.913 -2.250 1.00 31.11 H new ATOM 0 HZ3 LYS A 98 -12.413 -18.528 -3.075 1.00 31.11 H new ATOM 1584 N ASP A 99 -6.350 -15.486 -3.274 1.00 70.25 N ATOM 1585 CA ASP A 99 -4.941 -15.905 -3.287 1.00 41.42 C ATOM 1586 C ASP A 99 -4.320 -15.771 -1.889 1.00 3.33 C ATOM 1587 O ASP A 99 -3.236 -15.224 -1.753 1.00 61.01 O ATOM 1588 CB ASP A 99 -4.139 -15.054 -4.323 1.00 33.11 C ATOM 1589 CG ASP A 99 -4.441 -15.423 -5.776 1.00 65.20 C ATOM 1590 OD1 ASP A 99 -3.816 -16.378 -6.300 1.00 40.42 O ATOM 1591 OD2 ASP A 99 -5.290 -14.765 -6.408 1.00 11.41 O ATOM 0 H ASP A 99 -6.478 -14.500 -3.503 1.00 70.25 H new ATOM 0 HA ASP A 99 -4.894 -16.954 -3.580 1.00 41.42 H new ATOM 0 HB2 ASP A 99 -4.366 -13.999 -4.169 1.00 33.11 H new ATOM 0 HB3 ASP A 99 -3.072 -15.181 -4.138 1.00 33.11 H new ATOM 1596 N TYR A 100 -5.015 -16.302 -0.859 1.00 33.50 N ATOM 1597 CA TYR A 100 -4.539 -16.314 0.551 1.00 64.12 C ATOM 1598 C TYR A 100 -3.100 -16.862 0.685 1.00 63.33 C ATOM 1599 O TYR A 100 -2.299 -16.360 1.492 1.00 1.01 O ATOM 1600 CB TYR A 100 -5.487 -17.175 1.414 1.00 1.32 C ATOM 1601 CG TYR A 100 -6.970 -16.794 1.315 1.00 72.22 C ATOM 1602 CD1 TYR A 100 -7.380 -15.466 1.399 1.00 51.14 C ATOM 1603 CD2 TYR A 100 -7.962 -17.764 1.155 1.00 64.34 C ATOM 1604 CE1 TYR A 100 -8.715 -15.132 1.335 1.00 73.25 C ATOM 1605 CE2 TYR A 100 -9.295 -17.427 1.087 1.00 35.13 C ATOM 1606 CZ TYR A 100 -9.667 -16.110 1.181 1.00 1.45 C ATOM 1607 OH TYR A 100 -11.002 -15.770 1.145 1.00 62.24 O ATOM 0 H TYR A 100 -5.929 -16.739 -0.979 1.00 33.50 H new ATOM 0 HA TYR A 100 -4.536 -15.280 0.896 1.00 64.12 H new ATOM 0 HB2 TYR A 100 -5.374 -18.219 1.122 1.00 1.32 H new ATOM 0 HB3 TYR A 100 -5.176 -17.100 2.456 1.00 1.32 H new ATOM 0 HD1 TYR A 100 -6.641 -14.687 1.516 1.00 51.14 H new ATOM 0 HD2 TYR A 100 -7.677 -18.803 1.083 1.00 64.34 H new ATOM 0 HE1 TYR A 100 -9.014 -14.097 1.406 1.00 73.25 H new ATOM 0 HE2 TYR A 100 -10.044 -18.195 0.960 1.00 35.13 H new ATOM 0 HH TYR A 100 -11.100 -14.870 0.770 1.00 62.24 H new ATOM 1617 N THR A 101 -2.809 -17.887 -0.134 1.00 63.34 N ATOM 1618 CA THR A 101 -1.492 -18.520 -0.219 1.00 54.21 C ATOM 1619 C THR A 101 -0.427 -17.524 -0.719 1.00 70.03 C ATOM 1620 O THR A 101 0.680 -17.497 -0.195 1.00 0.33 O ATOM 1621 CB THR A 101 -1.549 -19.760 -1.162 1.00 70.41 C ATOM 1622 OG1 THR A 101 -2.093 -19.369 -2.435 1.00 70.02 O ATOM 1623 CG2 THR A 101 -2.397 -20.898 -0.560 1.00 24.02 C ATOM 0 H THR A 101 -3.496 -18.302 -0.763 1.00 63.34 H new ATOM 0 HA THR A 101 -1.210 -18.845 0.782 1.00 54.21 H new ATOM 0 HB THR A 101 -0.533 -20.135 -1.288 1.00 70.41 H new ATOM 0 HG1 THR A 101 -2.128 -20.148 -3.029 1.00 70.02 H new ATOM 0 HG21 THR A 101 -2.412 -21.744 -1.248 1.00 24.02 H new ATOM 0 HG22 THR A 101 -1.964 -21.211 0.390 1.00 24.02 H new ATOM 0 HG23 THR A 101 -3.415 -20.546 -0.397 1.00 24.02 H new ATOM 1631 N LYS A 102 -0.796 -16.679 -1.707 1.00 42.44 N ATOM 1632 CA LYS A 102 0.130 -15.686 -2.286 1.00 73.21 C ATOM 1633 C LYS A 102 0.248 -14.489 -1.338 1.00 4.32 C ATOM 1634 O LYS A 102 1.312 -13.898 -1.208 1.00 62.35 O ATOM 1635 CB LYS A 102 -0.359 -15.225 -3.691 1.00 22.43 C ATOM 1636 CG LYS A 102 -0.522 -16.341 -4.756 1.00 54.20 C ATOM 1637 CD LYS A 102 0.808 -17.050 -5.162 1.00 13.10 C ATOM 1638 CE LYS A 102 1.144 -18.291 -4.311 1.00 35.12 C ATOM 1639 NZ LYS A 102 2.479 -18.850 -4.655 1.00 41.31 N ATOM 0 H LYS A 102 -1.729 -16.666 -2.119 1.00 42.44 H new ATOM 0 HA LYS A 102 1.111 -16.145 -2.410 1.00 73.21 H new ATOM 0 HB2 LYS A 102 -1.318 -14.721 -3.572 1.00 22.43 H new ATOM 0 HB3 LYS A 102 0.344 -14.485 -4.074 1.00 22.43 H new ATOM 0 HG2 LYS A 102 -1.216 -17.090 -4.375 1.00 54.20 H new ATOM 0 HG3 LYS A 102 -0.976 -15.910 -5.648 1.00 54.20 H new ATOM 0 HD2 LYS A 102 0.744 -17.347 -6.209 1.00 13.10 H new ATOM 0 HD3 LYS A 102 1.627 -16.335 -5.083 1.00 13.10 H new ATOM 0 HE2 LYS A 102 1.123 -18.024 -3.254 1.00 35.12 H new ATOM 0 HE3 LYS A 102 0.380 -19.054 -4.463 1.00 35.12 H new ATOM 0 HZ1 LYS A 102 2.670 -19.683 -4.062 1.00 41.31 H new ATOM 0 HZ2 LYS A 102 2.491 -19.128 -5.657 1.00 41.31 H new ATOM 0 HZ3 LYS A 102 3.211 -18.130 -4.486 1.00 41.31 H new ATOM 1653 N ALA A 103 -0.870 -14.182 -0.662 1.00 53.14 N ATOM 1654 CA ALA A 103 -0.988 -13.069 0.282 1.00 14.12 C ATOM 1655 C ALA A 103 -0.020 -13.229 1.455 1.00 74.23 C ATOM 1656 O ALA A 103 0.773 -12.325 1.741 1.00 73.04 O ATOM 1657 CB ALA A 103 -2.434 -12.959 0.789 1.00 63.34 C ATOM 0 H ALA A 103 -1.734 -14.715 -0.761 1.00 53.14 H new ATOM 0 HA ALA A 103 -0.724 -12.150 -0.242 1.00 14.12 H new ATOM 0 HB1 ALA A 103 -2.511 -12.128 1.490 1.00 63.34 H new ATOM 0 HB2 ALA A 103 -3.103 -12.786 -0.054 1.00 63.34 H new ATOM 0 HB3 ALA A 103 -2.715 -13.885 1.291 1.00 63.34 H new ATOM 1663 N MET A 104 -0.067 -14.413 2.099 1.00 12.54 N ATOM 1664 CA MET A 104 0.779 -14.722 3.272 1.00 41.44 C ATOM 1665 C MET A 104 2.280 -14.644 2.931 1.00 0.35 C ATOM 1666 O MET A 104 3.097 -14.308 3.802 1.00 63.31 O ATOM 1667 CB MET A 104 0.431 -16.112 3.859 1.00 53.44 C ATOM 1668 CG MET A 104 0.732 -17.312 2.956 1.00 1.55 C ATOM 1669 SD MET A 104 0.406 -18.890 3.769 1.00 2.21 S ATOM 1670 CE MET A 104 -1.307 -18.713 4.251 1.00 41.21 C ATOM 0 H MET A 104 -0.686 -15.176 1.825 1.00 12.54 H new ATOM 0 HA MET A 104 0.569 -13.964 4.027 1.00 41.44 H new ATOM 0 HB2 MET A 104 0.978 -16.238 4.793 1.00 53.44 H new ATOM 0 HB3 MET A 104 -0.630 -16.125 4.107 1.00 53.44 H new ATOM 0 HG2 MET A 104 0.128 -17.242 2.051 1.00 1.55 H new ATOM 0 HG3 MET A 104 1.776 -17.276 2.646 1.00 1.55 H new ATOM 0 HE1 MET A 104 -1.687 -19.673 4.601 1.00 41.21 H new ATOM 0 HE2 MET A 104 -1.386 -17.978 5.052 1.00 41.21 H new ATOM 0 HE3 MET A 104 -1.894 -18.381 3.394 1.00 41.21 H new ATOM 1680 N ASP A 105 2.619 -14.950 1.659 1.00 50.23 N ATOM 1681 CA ASP A 105 3.995 -14.828 1.138 1.00 41.55 C ATOM 1682 C ASP A 105 4.445 -13.357 1.140 1.00 4.14 C ATOM 1683 O ASP A 105 5.598 -13.054 1.448 1.00 71.14 O ATOM 1684 CB ASP A 105 4.103 -15.397 -0.309 1.00 15.23 C ATOM 1685 CG ASP A 105 3.834 -16.907 -0.430 1.00 51.11 C ATOM 1686 OD1 ASP A 105 4.239 -17.669 0.481 1.00 21.22 O ATOM 1687 OD2 ASP A 105 3.262 -17.348 -1.460 1.00 72.40 O ATOM 0 H ASP A 105 1.948 -15.287 0.969 1.00 50.23 H new ATOM 0 HA ASP A 105 4.645 -15.408 1.793 1.00 41.55 H new ATOM 0 HB2 ASP A 105 3.398 -14.864 -0.947 1.00 15.23 H new ATOM 0 HB3 ASP A 105 5.102 -15.188 -0.693 1.00 15.23 H new ATOM 1692 N VAL A 106 3.495 -12.459 0.823 1.00 52.54 N ATOM 1693 CA VAL A 106 3.756 -11.018 0.663 1.00 64.50 C ATOM 1694 C VAL A 106 3.781 -10.311 2.046 1.00 41.23 C ATOM 1695 O VAL A 106 4.511 -9.326 2.237 1.00 12.33 O ATOM 1696 CB VAL A 106 2.685 -10.385 -0.308 1.00 12.52 C ATOM 1697 CG1 VAL A 106 2.931 -8.886 -0.551 1.00 52.51 C ATOM 1698 CG2 VAL A 106 2.658 -11.144 -1.654 1.00 5.44 C ATOM 0 H VAL A 106 2.519 -12.715 0.670 1.00 52.54 H new ATOM 0 HA VAL A 106 4.739 -10.875 0.214 1.00 64.50 H new ATOM 0 HB VAL A 106 1.715 -10.482 0.180 1.00 12.52 H new ATOM 0 HG11 VAL A 106 2.168 -8.497 -1.225 1.00 52.51 H new ATOM 0 HG12 VAL A 106 2.884 -8.351 0.398 1.00 52.51 H new ATOM 0 HG13 VAL A 106 3.915 -8.747 -0.998 1.00 52.51 H new ATOM 0 HG21 VAL A 106 1.914 -10.694 -2.311 1.00 5.44 H new ATOM 0 HG22 VAL A 106 3.640 -11.086 -2.124 1.00 5.44 H new ATOM 0 HG23 VAL A 106 2.402 -12.189 -1.478 1.00 5.44 H new ATOM 1708 N TYR A 107 3.003 -10.849 3.019 1.00 62.13 N ATOM 1709 CA TYR A 107 3.078 -10.413 4.439 1.00 3.43 C ATOM 1710 C TYR A 107 4.435 -10.793 5.049 1.00 24.11 C ATOM 1711 O TYR A 107 5.024 -10.010 5.808 1.00 31.11 O ATOM 1712 CB TYR A 107 1.942 -11.032 5.294 1.00 42.44 C ATOM 1713 CG TYR A 107 0.546 -10.478 4.996 1.00 33.30 C ATOM 1714 CD1 TYR A 107 0.255 -9.121 5.180 1.00 31.13 C ATOM 1715 CD2 TYR A 107 -0.486 -11.307 4.567 1.00 21.42 C ATOM 1716 CE1 TYR A 107 -1.011 -8.622 4.948 1.00 62.24 C ATOM 1717 CE2 TYR A 107 -1.744 -10.812 4.329 1.00 71.22 C ATOM 1718 CZ TYR A 107 -2.011 -9.471 4.520 1.00 35.51 C ATOM 1719 OH TYR A 107 -3.279 -8.981 4.283 1.00 52.30 O ATOM 0 H TYR A 107 2.317 -11.584 2.848 1.00 62.13 H new ATOM 0 HA TYR A 107 2.962 -9.329 4.446 1.00 3.43 H new ATOM 0 HB2 TYR A 107 1.932 -12.110 5.135 1.00 42.44 H new ATOM 0 HB3 TYR A 107 2.167 -10.867 6.348 1.00 42.44 H new ATOM 0 HD1 TYR A 107 1.036 -8.452 5.510 1.00 31.13 H new ATOM 0 HD2 TYR A 107 -0.294 -12.359 4.419 1.00 21.42 H new ATOM 0 HE1 TYR A 107 -1.218 -7.573 5.101 1.00 62.24 H new ATOM 0 HE2 TYR A 107 -2.528 -11.474 3.991 1.00 71.22 H new ATOM 0 HH TYR A 107 -3.647 -9.402 3.479 1.00 52.30 H new ATOM 1729 N GLN A 108 4.911 -12.007 4.700 1.00 24.12 N ATOM 1730 CA GLN A 108 6.233 -12.507 5.100 1.00 73.54 C ATOM 1731 C GLN A 108 7.302 -11.543 4.561 1.00 43.13 C ATOM 1732 O GLN A 108 8.201 -11.139 5.288 1.00 22.01 O ATOM 1733 CB GLN A 108 6.439 -13.964 4.566 1.00 63.52 C ATOM 1734 CG GLN A 108 7.551 -14.798 5.251 1.00 4.44 C ATOM 1735 CD GLN A 108 8.983 -14.470 4.801 1.00 51.34 C ATOM 1736 OE1 GLN A 108 9.607 -13.509 5.448 1.00 25.10 O flip ATOM 1737 NE2 GLN A 108 9.505 -15.060 3.854 1.00 31.42 N flip ATOM 0 H GLN A 108 4.382 -12.667 4.130 1.00 24.12 H new ATOM 0 HA GLN A 108 6.315 -12.548 6.186 1.00 73.54 H new ATOM 0 HB2 GLN A 108 5.496 -14.502 4.668 1.00 63.52 H new ATOM 0 HB3 GLN A 108 6.661 -13.909 3.500 1.00 63.52 H new ATOM 0 HG2 GLN A 108 7.483 -14.650 6.329 1.00 4.44 H new ATOM 0 HG3 GLN A 108 7.360 -15.854 5.061 1.00 4.44 H new ATOM 0 HE21 GLN A 108 8.996 -15.801 3.372 1.00 31.42 H new ATOM 0 HE22 GLN A 108 10.446 -14.808 3.552 1.00 31.42 H new ATOM 1746 N LYS A 109 7.137 -11.155 3.280 1.00 14.32 N ATOM 1747 CA LYS A 109 8.013 -10.186 2.608 1.00 11.54 C ATOM 1748 C LYS A 109 7.971 -8.787 3.243 1.00 52.14 C ATOM 1749 O LYS A 109 8.992 -8.101 3.260 1.00 24.45 O ATOM 1750 CB LYS A 109 7.684 -10.129 1.094 1.00 45.33 C ATOM 1751 CG LYS A 109 8.095 -11.398 0.320 1.00 43.11 C ATOM 1752 CD LYS A 109 9.606 -11.704 0.437 1.00 74.41 C ATOM 1753 CE LYS A 109 10.477 -10.565 -0.116 1.00 54.24 C ATOM 1754 NZ LYS A 109 11.924 -10.811 0.085 1.00 23.44 N ATOM 0 H LYS A 109 6.388 -11.509 2.684 1.00 14.32 H new ATOM 0 HA LYS A 109 9.036 -10.538 2.738 1.00 11.54 H new ATOM 0 HB2 LYS A 109 6.613 -9.970 0.970 1.00 45.33 H new ATOM 0 HB3 LYS A 109 8.187 -9.268 0.654 1.00 45.33 H new ATOM 0 HG2 LYS A 109 7.526 -12.248 0.696 1.00 43.11 H new ATOM 0 HG3 LYS A 109 7.833 -11.279 -0.731 1.00 43.11 H new ATOM 0 HD2 LYS A 109 9.859 -11.877 1.483 1.00 74.41 H new ATOM 0 HD3 LYS A 109 9.831 -12.624 -0.102 1.00 74.41 H new ATOM 0 HE2 LYS A 109 10.277 -10.442 -1.180 1.00 54.24 H new ATOM 0 HE3 LYS A 109 10.199 -9.630 0.371 1.00 54.24 H new ATOM 0 HZ1 LYS A 109 12.467 -10.301 -0.641 1.00 23.44 H new ATOM 0 HZ2 LYS A 109 12.206 -10.475 1.028 1.00 23.44 H new ATOM 0 HZ3 LYS A 109 12.117 -11.830 0.009 1.00 23.44 H new ATOM 1768 N ALA A 110 6.808 -8.372 3.772 1.00 12.31 N ATOM 1769 CA ALA A 110 6.697 -7.109 4.541 1.00 72.12 C ATOM 1770 C ALA A 110 7.541 -7.195 5.833 1.00 14.11 C ATOM 1771 O ALA A 110 8.307 -6.280 6.154 1.00 44.32 O ATOM 1772 CB ALA A 110 5.229 -6.780 4.857 1.00 62.52 C ATOM 0 H ALA A 110 5.931 -8.886 3.685 1.00 12.31 H new ATOM 0 HA ALA A 110 7.088 -6.297 3.928 1.00 72.12 H new ATOM 0 HB1 ALA A 110 5.178 -5.849 5.421 1.00 62.52 H new ATOM 0 HB2 ALA A 110 4.672 -6.671 3.926 1.00 62.52 H new ATOM 0 HB3 ALA A 110 4.794 -7.586 5.448 1.00 62.52 H new ATOM 1778 N LEU A 111 7.424 -8.338 6.538 1.00 53.54 N ATOM 1779 CA LEU A 111 8.228 -8.616 7.748 1.00 53.14 C ATOM 1780 C LEU A 111 9.724 -8.821 7.393 1.00 43.35 C ATOM 1781 O LEU A 111 10.600 -8.571 8.223 1.00 5.24 O ATOM 1782 CB LEU A 111 7.678 -9.869 8.489 1.00 12.45 C ATOM 1783 CG LEU A 111 6.185 -9.802 8.945 1.00 14.33 C ATOM 1784 CD1 LEU A 111 5.746 -11.125 9.611 1.00 31.14 C ATOM 1785 CD2 LEU A 111 5.928 -8.594 9.871 1.00 72.20 C ATOM 0 H LEU A 111 6.778 -9.087 6.290 1.00 53.54 H new ATOM 0 HA LEU A 111 8.150 -7.751 8.407 1.00 53.14 H new ATOM 0 HB2 LEU A 111 7.798 -10.733 7.836 1.00 12.45 H new ATOM 0 HB3 LEU A 111 8.297 -10.046 9.369 1.00 12.45 H new ATOM 0 HG LEU A 111 5.575 -9.661 8.052 1.00 14.33 H new ATOM 0 HD11 LEU A 111 4.703 -11.049 9.918 1.00 31.14 H new ATOM 0 HD12 LEU A 111 5.856 -11.944 8.900 1.00 31.14 H new ATOM 0 HD13 LEU A 111 6.369 -11.316 10.485 1.00 31.14 H new ATOM 0 HD21 LEU A 111 4.879 -8.580 10.168 1.00 72.20 H new ATOM 0 HD22 LEU A 111 6.555 -8.676 10.759 1.00 72.20 H new ATOM 0 HD23 LEU A 111 6.168 -7.672 9.341 1.00 72.20 H new ATOM 1797 N ASP A 112 9.987 -9.265 6.144 1.00 41.32 N ATOM 1798 CA ASP A 112 11.340 -9.562 5.632 1.00 42.44 C ATOM 1799 C ASP A 112 12.127 -8.266 5.405 1.00 71.52 C ATOM 1800 O ASP A 112 13.317 -8.197 5.730 1.00 61.12 O ATOM 1801 CB ASP A 112 11.243 -10.386 4.317 1.00 55.01 C ATOM 1802 CG ASP A 112 12.596 -10.627 3.624 1.00 32.10 C ATOM 1803 OD1 ASP A 112 13.361 -11.501 4.082 1.00 71.34 O ATOM 1804 OD2 ASP A 112 12.899 -9.956 2.612 1.00 11.45 O ATOM 0 H ASP A 112 9.253 -9.429 5.455 1.00 41.32 H new ATOM 0 HA ASP A 112 11.874 -10.155 6.375 1.00 42.44 H new ATOM 0 HB2 ASP A 112 10.784 -11.349 4.538 1.00 55.01 H new ATOM 0 HB3 ASP A 112 10.580 -9.868 3.624 1.00 55.01 H new ATOM 1809 N LEU A 113 11.438 -7.248 4.849 1.00 51.34 N ATOM 1810 CA LEU A 113 12.030 -5.920 4.605 1.00 24.41 C ATOM 1811 C LEU A 113 12.406 -5.253 5.935 1.00 62.43 C ATOM 1812 O LEU A 113 13.535 -4.764 6.097 1.00 21.15 O ATOM 1813 CB LEU A 113 11.057 -5.025 3.787 1.00 63.11 C ATOM 1814 CG LEU A 113 10.700 -5.552 2.365 1.00 30.22 C ATOM 1815 CD1 LEU A 113 9.749 -4.587 1.633 1.00 11.21 C ATOM 1816 CD2 LEU A 113 11.972 -5.839 1.539 1.00 72.33 C ATOM 0 H LEU A 113 10.463 -7.324 4.559 1.00 51.34 H new ATOM 0 HA LEU A 113 12.939 -6.047 4.017 1.00 24.41 H new ATOM 0 HB2 LEU A 113 10.134 -4.908 4.355 1.00 63.11 H new ATOM 0 HB3 LEU A 113 11.499 -4.033 3.688 1.00 63.11 H new ATOM 0 HG LEU A 113 10.171 -6.498 2.484 1.00 30.22 H new ATOM 0 HD11 LEU A 113 9.519 -4.983 0.644 1.00 11.21 H new ATOM 0 HD12 LEU A 113 8.827 -4.481 2.205 1.00 11.21 H new ATOM 0 HD13 LEU A 113 10.227 -3.613 1.531 1.00 11.21 H new ATOM 0 HD21 LEU A 113 11.690 -6.205 0.552 1.00 72.33 H new ATOM 0 HD22 LEU A 113 12.552 -4.922 1.434 1.00 72.33 H new ATOM 0 HD23 LEU A 113 12.574 -6.593 2.047 1.00 72.33 H new ATOM 1828 N ASP A 114 11.453 -5.262 6.877 1.00 71.31 N ATOM 1829 CA ASP A 114 11.666 -4.796 8.258 1.00 13.33 C ATOM 1830 C ASP A 114 10.505 -5.268 9.142 1.00 33.25 C ATOM 1831 O ASP A 114 9.345 -4.887 8.922 1.00 52.12 O ATOM 1832 CB ASP A 114 11.824 -3.248 8.315 1.00 43.35 C ATOM 1833 CG ASP A 114 11.970 -2.659 9.728 1.00 74.21 C ATOM 1834 OD1 ASP A 114 12.597 -3.295 10.615 1.00 31.33 O ATOM 1835 OD2 ASP A 114 11.450 -1.551 9.968 1.00 4.21 O ATOM 0 H ASP A 114 10.505 -5.595 6.703 1.00 71.31 H new ATOM 0 HA ASP A 114 12.594 -5.225 8.635 1.00 13.33 H new ATOM 0 HB2 ASP A 114 12.698 -2.966 7.728 1.00 43.35 H new ATOM 0 HB3 ASP A 114 10.958 -2.792 7.836 1.00 43.35 H new ATOM 1840 N SER A 115 10.850 -6.058 10.171 1.00 21.03 N ATOM 1841 CA SER A 115 9.883 -6.711 11.062 1.00 54.22 C ATOM 1842 C SER A 115 9.074 -5.707 11.906 1.00 45.04 C ATOM 1843 O SER A 115 8.017 -6.064 12.417 1.00 70.43 O ATOM 1844 CB SER A 115 10.609 -7.730 11.957 1.00 53.50 C ATOM 1845 OG SER A 115 11.302 -8.691 11.173 1.00 50.22 O ATOM 0 H SER A 115 11.821 -6.263 10.409 1.00 21.03 H new ATOM 0 HA SER A 115 9.158 -7.231 10.436 1.00 54.22 H new ATOM 0 HB2 SER A 115 11.312 -7.211 12.609 1.00 53.50 H new ATOM 0 HB3 SER A 115 9.888 -8.233 12.602 1.00 53.50 H new ATOM 0 HG SER A 115 11.045 -8.593 10.232 1.00 50.22 H new ATOM 1851 N SER A 116 9.544 -4.434 11.999 1.00 24.43 N ATOM 1852 CA SER A 116 8.778 -3.333 12.645 1.00 52.54 C ATOM 1853 C SER A 116 7.376 -3.181 12.015 1.00 11.33 C ATOM 1854 O SER A 116 6.447 -2.690 12.652 1.00 52.12 O ATOM 1855 CB SER A 116 9.551 -2.002 12.551 1.00 75.55 C ATOM 1856 OG SER A 116 10.898 -2.153 12.979 1.00 60.03 O ATOM 0 H SER A 116 10.451 -4.145 11.634 1.00 24.43 H new ATOM 0 HA SER A 116 8.652 -3.592 13.696 1.00 52.54 H new ATOM 0 HB2 SER A 116 9.533 -1.641 11.523 1.00 75.55 H new ATOM 0 HB3 SER A 116 9.056 -1.248 13.163 1.00 75.55 H new ATOM 0 HG SER A 116 11.423 -2.572 12.265 1.00 60.03 H new ATOM 1862 N CYS A 117 7.251 -3.679 10.770 1.00 70.40 N ATOM 1863 CA CYS A 117 5.992 -3.780 10.022 1.00 12.31 C ATOM 1864 C CYS A 117 5.055 -4.903 10.574 1.00 11.23 C ATOM 1865 O CYS A 117 4.225 -5.396 9.827 1.00 23.52 O ATOM 1866 CB CYS A 117 6.301 -4.010 8.526 1.00 21.31 C ATOM 1867 SG CYS A 117 4.872 -3.843 7.421 1.00 71.33 S ATOM 0 H CYS A 117 8.051 -4.032 10.244 1.00 70.40 H new ATOM 0 HA CYS A 117 5.453 -2.841 10.146 1.00 12.31 H new ATOM 0 HB2 CYS A 117 7.068 -3.301 8.215 1.00 21.31 H new ATOM 0 HB3 CYS A 117 6.721 -5.008 8.405 1.00 21.31 H new ATOM 0 HG CYS A 117 3.850 -4.458 7.938 1.00 71.33 H new ATOM 1873 N LYS A 118 5.253 -5.378 11.837 1.00 14.35 N ATOM 1874 CA LYS A 118 4.337 -6.357 12.525 1.00 73.15 C ATOM 1875 C LYS A 118 2.803 -6.132 12.317 1.00 33.52 C ATOM 1876 O LYS A 118 2.021 -7.065 12.553 1.00 52.51 O ATOM 1877 CB LYS A 118 4.611 -6.379 14.057 1.00 64.30 C ATOM 1878 CG LYS A 118 5.969 -6.963 14.489 1.00 62.12 C ATOM 1879 CD LYS A 118 6.178 -8.435 14.062 1.00 50.22 C ATOM 1880 CE LYS A 118 5.155 -9.400 14.688 1.00 34.10 C ATOM 1881 NZ LYS A 118 5.142 -9.356 16.181 1.00 31.32 N ATOM 0 H LYS A 118 6.048 -5.099 12.412 1.00 14.35 H new ATOM 0 HA LYS A 118 4.576 -7.306 12.045 1.00 73.15 H new ATOM 0 HB2 LYS A 118 4.540 -5.359 14.434 1.00 64.30 H new ATOM 0 HB3 LYS A 118 3.820 -6.953 14.540 1.00 64.30 H new ATOM 0 HG2 LYS A 118 6.768 -6.354 14.065 1.00 62.12 H new ATOM 0 HG3 LYS A 118 6.056 -6.893 15.573 1.00 62.12 H new ATOM 0 HD2 LYS A 118 6.115 -8.504 12.976 1.00 50.22 H new ATOM 0 HD3 LYS A 118 7.183 -8.749 14.344 1.00 50.22 H new ATOM 0 HE2 LYS A 118 4.160 -9.157 14.315 1.00 34.10 H new ATOM 0 HE3 LYS A 118 5.378 -10.416 14.363 1.00 34.10 H new ATOM 0 HZ1 LYS A 118 4.496 -10.086 16.544 1.00 31.32 H new ATOM 0 HZ2 LYS A 118 6.101 -9.532 16.542 1.00 31.32 H new ATOM 0 HZ3 LYS A 118 4.820 -8.419 16.498 1.00 31.32 H new ATOM 1895 N GLU A 119 2.374 -4.920 11.898 1.00 74.45 N ATOM 1896 CA GLU A 119 0.969 -4.664 11.482 1.00 23.22 C ATOM 1897 C GLU A 119 0.521 -5.641 10.348 1.00 45.43 C ATOM 1898 O GLU A 119 -0.642 -6.059 10.287 1.00 63.21 O ATOM 1899 CB GLU A 119 0.799 -3.189 11.014 1.00 52.42 C ATOM 1900 CG GLU A 119 1.635 -2.796 9.767 1.00 73.02 C ATOM 1901 CD GLU A 119 1.319 -1.383 9.257 1.00 72.33 C ATOM 1902 OE1 GLU A 119 0.393 -1.237 8.424 1.00 3.43 O ATOM 1903 OE2 GLU A 119 1.970 -0.411 9.701 1.00 43.55 O ATOM 0 H GLU A 119 2.979 -4.101 11.838 1.00 74.45 H new ATOM 0 HA GLU A 119 0.332 -4.838 12.349 1.00 23.22 H new ATOM 0 HB2 GLU A 119 -0.254 -3.012 10.797 1.00 52.42 H new ATOM 0 HB3 GLU A 119 1.071 -2.529 11.838 1.00 52.42 H new ATOM 0 HG2 GLU A 119 2.695 -2.860 10.012 1.00 73.02 H new ATOM 0 HG3 GLU A 119 1.448 -3.515 8.969 1.00 73.02 H new ATOM 1910 N ALA A 120 1.482 -5.993 9.474 1.00 45.14 N ATOM 1911 CA ALA A 120 1.324 -6.991 8.402 1.00 72.41 C ATOM 1912 C ALA A 120 1.171 -8.415 8.963 1.00 14.24 C ATOM 1913 O ALA A 120 0.567 -9.266 8.312 1.00 41.21 O ATOM 1914 CB ALA A 120 2.533 -6.934 7.451 1.00 65.44 C ATOM 0 H ALA A 120 2.414 -5.580 9.495 1.00 45.14 H new ATOM 0 HA ALA A 120 0.412 -6.748 7.856 1.00 72.41 H new ATOM 0 HB1 ALA A 120 2.410 -7.675 6.661 1.00 65.44 H new ATOM 0 HB2 ALA A 120 2.602 -5.940 7.009 1.00 65.44 H new ATOM 0 HB3 ALA A 120 3.445 -7.147 8.009 1.00 65.44 H new ATOM 1920 N ALA A 121 1.730 -8.667 10.168 1.00 10.31 N ATOM 1921 CA ALA A 121 1.640 -9.988 10.819 1.00 13.25 C ATOM 1922 C ALA A 121 0.208 -10.242 11.320 1.00 32.01 C ATOM 1923 O ALA A 121 -0.275 -11.367 11.278 1.00 13.03 O ATOM 1924 CB ALA A 121 2.658 -10.109 11.957 1.00 4.14 C ATOM 0 H ALA A 121 2.247 -7.972 10.707 1.00 10.31 H new ATOM 0 HA ALA A 121 1.881 -10.753 10.081 1.00 13.25 H new ATOM 0 HB1 ALA A 121 2.571 -11.092 12.420 1.00 4.14 H new ATOM 0 HB2 ALA A 121 3.665 -9.983 11.559 1.00 4.14 H new ATOM 0 HB3 ALA A 121 2.464 -9.338 12.703 1.00 4.14 H new ATOM 1930 N ASP A 122 -0.473 -9.168 11.768 1.00 61.42 N ATOM 1931 CA ASP A 122 -1.915 -9.223 12.105 1.00 72.21 C ATOM 1932 C ASP A 122 -2.738 -9.509 10.830 1.00 30.24 C ATOM 1933 O ASP A 122 -3.655 -10.338 10.843 1.00 2.13 O ATOM 1934 CB ASP A 122 -2.388 -7.903 12.776 1.00 43.41 C ATOM 1935 CG ASP A 122 -3.895 -7.918 13.134 1.00 72.13 C ATOM 1936 OD1 ASP A 122 -4.262 -8.455 14.205 1.00 35.43 O ATOM 1937 OD2 ASP A 122 -4.723 -7.400 12.346 1.00 24.31 O ATOM 0 H ASP A 122 -0.050 -8.250 11.906 1.00 61.42 H new ATOM 0 HA ASP A 122 -2.071 -10.030 12.821 1.00 72.21 H new ATOM 0 HB2 ASP A 122 -1.806 -7.732 13.682 1.00 43.41 H new ATOM 0 HB3 ASP A 122 -2.187 -7.068 12.105 1.00 43.41 H new ATOM 1942 N GLY A 123 -2.364 -8.825 9.729 1.00 14.34 N ATOM 1943 CA GLY A 123 -2.982 -9.049 8.416 1.00 71.04 C ATOM 1944 C GLY A 123 -2.718 -10.453 7.870 1.00 51.53 C ATOM 1945 O GLY A 123 -3.521 -10.985 7.091 1.00 15.13 O ATOM 0 H GLY A 123 -1.634 -8.112 9.729 1.00 14.34 H new ATOM 0 HA2 GLY A 123 -4.058 -8.890 8.494 1.00 71.04 H new ATOM 0 HA3 GLY A 123 -2.601 -8.312 7.709 1.00 71.04 H new ATOM 1949 N TYR A 124 -1.577 -11.047 8.279 1.00 22.41 N ATOM 1950 CA TYR A 124 -1.214 -12.433 7.957 1.00 72.25 C ATOM 1951 C TYR A 124 -2.259 -13.394 8.537 1.00 54.30 C ATOM 1952 O TYR A 124 -2.865 -14.154 7.773 1.00 21.03 O ATOM 1953 CB TYR A 124 0.226 -12.739 8.468 1.00 42.42 C ATOM 1954 CG TYR A 124 0.677 -14.211 8.456 1.00 63.31 C ATOM 1955 CD1 TYR A 124 0.426 -15.054 7.366 1.00 32.34 C ATOM 1956 CD2 TYR A 124 1.375 -14.759 9.539 1.00 14.02 C ATOM 1957 CE1 TYR A 124 0.838 -16.372 7.370 1.00 70.41 C ATOM 1958 CE2 TYR A 124 1.790 -16.074 9.540 1.00 14.12 C ATOM 1959 CZ TYR A 124 1.522 -16.878 8.452 1.00 73.54 C ATOM 1960 OH TYR A 124 1.931 -18.197 8.455 1.00 31.03 O ATOM 0 H TYR A 124 -0.878 -10.568 8.848 1.00 22.41 H new ATOM 0 HA TYR A 124 -1.209 -12.574 6.876 1.00 72.25 H new ATOM 0 HB2 TYR A 124 0.928 -12.165 7.863 1.00 42.42 H new ATOM 0 HB3 TYR A 124 0.308 -12.368 9.490 1.00 42.42 H new ATOM 0 HD1 TYR A 124 -0.100 -14.666 6.506 1.00 32.34 H new ATOM 0 HD2 TYR A 124 1.594 -14.137 10.394 1.00 14.02 H new ATOM 0 HE1 TYR A 124 0.623 -17.007 6.523 1.00 70.41 H new ATOM 0 HE2 TYR A 124 2.323 -16.473 10.390 1.00 14.12 H new ATOM 0 HH TYR A 124 2.401 -18.392 9.293 1.00 31.03 H new ATOM 1970 N GLN A 125 -2.499 -13.301 9.873 1.00 13.41 N ATOM 1971 CA GLN A 125 -3.539 -14.108 10.566 1.00 32.41 C ATOM 1972 C GLN A 125 -4.906 -14.003 9.875 1.00 31.52 C ATOM 1973 O GLN A 125 -5.616 -15.000 9.765 1.00 60.11 O ATOM 1974 CB GLN A 125 -3.652 -13.725 12.074 1.00 41.44 C ATOM 1975 CG GLN A 125 -2.698 -14.482 13.015 1.00 60.01 C ATOM 1976 CD GLN A 125 -1.238 -14.426 12.588 1.00 23.13 C ATOM 1977 OE1 GLN A 125 -0.571 -13.366 12.959 1.00 0.10 O flip ATOM 1978 NE2 GLN A 125 -0.735 -15.305 11.886 1.00 20.41 N flip ATOM 0 H GLN A 125 -1.985 -12.674 10.492 1.00 13.41 H new ATOM 0 HA GLN A 125 -3.219 -15.148 10.504 1.00 32.41 H new ATOM 0 HB2 GLN A 125 -3.465 -12.656 12.176 1.00 41.44 H new ATOM 0 HB3 GLN A 125 -4.676 -13.902 12.402 1.00 41.44 H new ATOM 0 HG2 GLN A 125 -2.789 -14.068 14.019 1.00 60.01 H new ATOM 0 HG3 GLN A 125 -3.010 -15.525 13.071 1.00 60.01 H new ATOM 0 HE21 GLN A 125 -1.286 -16.119 11.615 1.00 20.41 H new ATOM 0 HE22 GLN A 125 0.233 -15.218 11.575 1.00 20.41 H new ATOM 1987 N ARG A 126 -5.227 -12.802 9.378 1.00 10.41 N ATOM 1988 CA ARG A 126 -6.460 -12.528 8.620 1.00 35.21 C ATOM 1989 C ARG A 126 -6.547 -13.386 7.318 1.00 61.25 C ATOM 1990 O ARG A 126 -7.608 -13.959 7.024 1.00 51.14 O ATOM 1991 CB ARG A 126 -6.541 -10.990 8.336 1.00 22.11 C ATOM 1992 CG ARG A 126 -7.519 -10.545 7.230 1.00 50.12 C ATOM 1993 CD ARG A 126 -8.995 -10.870 7.513 1.00 4.50 C ATOM 1994 NE ARG A 126 -9.824 -10.700 6.311 1.00 10.12 N ATOM 1995 CZ ARG A 126 -11.082 -11.149 6.159 1.00 53.12 C ATOM 1996 NH1 ARG A 126 -11.689 -11.803 7.141 1.00 33.32 N ATOM 1997 NH2 ARG A 126 -11.724 -10.959 5.020 1.00 44.00 N ATOM 0 H ARG A 126 -4.632 -11.981 9.491 1.00 10.41 H new ATOM 0 HA ARG A 126 -7.326 -12.821 9.214 1.00 35.21 H new ATOM 0 HB2 ARG A 126 -6.821 -10.486 9.261 1.00 22.11 H new ATOM 0 HB3 ARG A 126 -5.544 -10.639 8.071 1.00 22.11 H new ATOM 0 HG2 ARG A 126 -7.419 -9.469 7.085 1.00 50.12 H new ATOM 0 HG3 ARG A 126 -7.229 -11.021 6.293 1.00 50.12 H new ATOM 0 HD2 ARG A 126 -9.080 -11.895 7.873 1.00 4.50 H new ATOM 0 HD3 ARG A 126 -9.366 -10.221 8.307 1.00 4.50 H new ATOM 0 HE ARG A 126 -9.409 -10.199 5.525 1.00 10.12 H new ATOM 0 HH11 ARG A 126 -11.201 -11.969 8.021 1.00 33.32 H new ATOM 0 HH12 ARG A 126 -12.644 -12.140 7.016 1.00 33.32 H new ATOM 0 HH21 ARG A 126 -11.265 -10.470 4.251 1.00 44.00 H new ATOM 0 HH22 ARG A 126 -12.678 -11.301 4.909 1.00 44.00 H new ATOM 2011 N CYS A 127 -5.429 -13.511 6.570 1.00 70.14 N ATOM 2012 CA CYS A 127 -5.436 -14.200 5.254 1.00 21.44 C ATOM 2013 C CYS A 127 -5.320 -15.724 5.404 1.00 52.33 C ATOM 2014 O CYS A 127 -5.989 -16.475 4.678 1.00 54.24 O ATOM 2015 CB CYS A 127 -4.324 -13.645 4.346 1.00 71.43 C ATOM 2016 SG CYS A 127 -4.648 -11.967 3.771 1.00 22.12 S ATOM 0 H CYS A 127 -4.517 -13.149 6.848 1.00 70.14 H new ATOM 0 HA CYS A 127 -6.398 -13.999 4.782 1.00 21.44 H new ATOM 0 HB2 CYS A 127 -3.379 -13.660 4.889 1.00 71.43 H new ATOM 0 HB3 CYS A 127 -4.206 -14.301 3.484 1.00 71.43 H new ATOM 0 HG CYS A 127 -3.898 -11.131 4.426 1.00 22.12 H new ATOM 2022 N MET A 128 -4.481 -16.184 6.353 1.00 51.22 N ATOM 2023 CA MET A 128 -4.301 -17.624 6.601 1.00 51.32 C ATOM 2024 C MET A 128 -5.599 -18.243 7.156 1.00 43.11 C ATOM 2025 O MET A 128 -6.045 -19.276 6.655 1.00 1.32 O ATOM 2026 CB MET A 128 -3.099 -17.918 7.547 1.00 51.03 C ATOM 2027 CG MET A 128 -3.173 -17.247 8.921 1.00 33.11 C ATOM 2028 SD MET A 128 -1.968 -17.883 10.099 1.00 23.45 S ATOM 2029 CE MET A 128 -2.612 -19.528 10.406 1.00 53.44 C ATOM 0 H MET A 128 -3.921 -15.581 6.956 1.00 51.22 H new ATOM 0 HA MET A 128 -4.070 -18.089 5.643 1.00 51.32 H new ATOM 0 HB2 MET A 128 -3.025 -18.996 7.690 1.00 51.03 H new ATOM 0 HB3 MET A 128 -2.182 -17.598 7.053 1.00 51.03 H new ATOM 0 HG2 MET A 128 -3.020 -16.174 8.801 1.00 33.11 H new ATOM 0 HG3 MET A 128 -4.175 -17.383 9.329 1.00 33.11 H new ATOM 0 HE1 MET A 128 -2.497 -19.773 11.462 1.00 53.44 H new ATOM 0 HE2 MET A 128 -3.668 -19.561 10.139 1.00 53.44 H new ATOM 0 HE3 MET A 128 -2.063 -20.252 9.804 1.00 53.44 H new ATOM 2039 N MET A 129 -6.238 -17.568 8.143 1.00 1.51 N ATOM 2040 CA MET A 129 -7.458 -18.096 8.796 1.00 52.11 C ATOM 2041 C MET A 129 -8.621 -18.193 7.798 1.00 61.10 C ATOM 2042 O MET A 129 -9.485 -19.039 7.956 1.00 52.14 O ATOM 2043 CB MET A 129 -7.907 -17.244 10.023 1.00 25.24 C ATOM 2044 CG MET A 129 -8.593 -15.900 9.695 1.00 22.21 C ATOM 2045 SD MET A 129 -9.444 -15.175 11.114 1.00 13.12 S ATOM 2046 CE MET A 129 -10.790 -16.339 11.349 1.00 53.31 C ATOM 0 H MET A 129 -5.930 -16.664 8.501 1.00 1.51 H new ATOM 0 HA MET A 129 -7.196 -19.091 9.156 1.00 52.11 H new ATOM 0 HB2 MET A 129 -8.591 -17.842 10.625 1.00 25.24 H new ATOM 0 HB3 MET A 129 -7.032 -17.042 10.641 1.00 25.24 H new ATOM 0 HG2 MET A 129 -7.845 -15.197 9.329 1.00 22.21 H new ATOM 0 HG3 MET A 129 -9.309 -16.052 8.888 1.00 22.21 H new ATOM 0 HE1 MET A 129 -11.591 -15.860 11.912 1.00 53.31 H new ATOM 0 HE2 MET A 129 -11.169 -16.658 10.378 1.00 53.31 H new ATOM 0 HE3 MET A 129 -10.428 -17.207 11.900 1.00 53.31 H new ATOM 2056 N ALA A 130 -8.597 -17.317 6.768 1.00 63.22 N ATOM 2057 CA ALA A 130 -9.676 -17.188 5.775 1.00 23.33 C ATOM 2058 C ALA A 130 -9.911 -18.499 5.004 1.00 55.33 C ATOM 2059 O ALA A 130 -11.055 -18.918 4.823 1.00 13.11 O ATOM 2060 CB ALA A 130 -9.366 -16.028 4.822 1.00 2.15 C ATOM 0 H ALA A 130 -7.820 -16.677 6.606 1.00 63.22 H new ATOM 0 HA ALA A 130 -10.603 -16.971 6.306 1.00 23.33 H new ATOM 0 HB1 ALA A 130 -10.167 -15.936 4.088 1.00 2.15 H new ATOM 0 HB2 ALA A 130 -9.286 -15.101 5.391 1.00 2.15 H new ATOM 0 HB3 ALA A 130 -8.424 -16.221 4.308 1.00 2.15 H new ATOM 2066 N GLN A 131 -8.812 -19.146 4.570 1.00 74.55 N ATOM 2067 CA GLN A 131 -8.878 -20.480 3.925 1.00 30.24 C ATOM 2068 C GLN A 131 -9.076 -21.592 4.964 1.00 13.13 C ATOM 2069 O GLN A 131 -9.586 -22.658 4.630 1.00 3.31 O ATOM 2070 CB GLN A 131 -7.621 -20.764 3.048 1.00 75.01 C ATOM 2071 CG GLN A 131 -6.276 -20.426 3.702 1.00 35.44 C ATOM 2072 CD GLN A 131 -5.067 -20.731 2.820 1.00 73.31 C ATOM 2073 OE1 GLN A 131 -5.101 -21.607 1.965 1.00 44.11 O ATOM 2074 NE2 GLN A 131 -3.975 -20.039 3.047 1.00 25.32 N ATOM 0 H GLN A 131 -7.867 -18.770 4.652 1.00 74.55 H new ATOM 0 HA GLN A 131 -9.745 -20.471 3.265 1.00 30.24 H new ATOM 0 HB2 GLN A 131 -7.619 -21.820 2.776 1.00 75.01 H new ATOM 0 HB3 GLN A 131 -7.709 -20.196 2.122 1.00 75.01 H new ATOM 0 HG2 GLN A 131 -6.266 -19.368 3.963 1.00 35.44 H new ATOM 0 HG3 GLN A 131 -6.185 -20.985 4.633 1.00 35.44 H new ATOM 0 HE21 GLN A 131 -3.971 -19.314 3.765 1.00 25.32 H new ATOM 0 HE22 GLN A 131 -3.131 -20.226 2.506 1.00 25.32 H new ATOM 2083 N TYR A 132 -8.686 -21.335 6.227 1.00 2.21 N ATOM 2084 CA TYR A 132 -8.801 -22.329 7.321 1.00 21.14 C ATOM 2085 C TYR A 132 -10.120 -22.127 8.101 1.00 65.33 C ATOM 2086 O TYR A 132 -10.157 -22.294 9.324 1.00 51.10 O ATOM 2087 CB TYR A 132 -7.566 -22.221 8.280 1.00 1.12 C ATOM 2088 CG TYR A 132 -6.176 -22.290 7.615 1.00 70.00 C ATOM 2089 CD1 TYR A 132 -5.976 -22.851 6.348 1.00 40.32 C ATOM 2090 CD2 TYR A 132 -5.054 -21.757 8.258 1.00 11.55 C ATOM 2091 CE1 TYR A 132 -4.731 -22.869 5.756 1.00 54.32 C ATOM 2092 CE2 TYR A 132 -3.809 -21.779 7.670 1.00 5.33 C ATOM 2093 CZ TYR A 132 -3.647 -22.334 6.419 1.00 32.43 C ATOM 2094 OH TYR A 132 -2.405 -22.333 5.822 1.00 12.14 O ATOM 0 H TYR A 132 -8.286 -20.444 6.520 1.00 2.21 H new ATOM 0 HA TYR A 132 -8.815 -23.328 6.886 1.00 21.14 H new ATOM 0 HB2 TYR A 132 -7.638 -21.280 8.826 1.00 1.12 H new ATOM 0 HB3 TYR A 132 -7.633 -23.022 9.016 1.00 1.12 H new ATOM 0 HD1 TYR A 132 -6.816 -23.280 5.822 1.00 40.32 H new ATOM 0 HD2 TYR A 132 -5.167 -21.318 9.238 1.00 11.55 H new ATOM 0 HE1 TYR A 132 -4.605 -23.302 4.774 1.00 54.32 H new ATOM 0 HE2 TYR A 132 -2.959 -21.361 8.189 1.00 5.33 H new ATOM 0 HH TYR A 132 -1.753 -21.918 6.424 1.00 12.14 H new ATOM 2104 N ASN A 133 -11.210 -21.787 7.378 1.00 2.40 N ATOM 2105 CA ASN A 133 -12.566 -21.672 7.954 1.00 52.11 C ATOM 2106 C ASN A 133 -13.176 -23.081 8.101 1.00 44.55 C ATOM 2107 O ASN A 133 -13.735 -23.613 7.119 1.00 43.42 O ATOM 2108 CB ASN A 133 -13.470 -20.735 7.076 1.00 2.54 C ATOM 2109 CG ASN A 133 -13.314 -19.233 7.351 1.00 41.43 C ATOM 2110 OD1 ASN A 133 -14.253 -18.461 7.171 1.00 1.55 O ATOM 2111 ND2 ASN A 133 -12.153 -18.794 7.791 1.00 13.44 N ATOM 2112 OXT ASN A 133 -13.060 -23.679 9.195 1.00 37.69 O ATOM 0 H ASN A 133 -11.173 -21.585 6.379 1.00 2.40 H new ATOM 0 HA ASN A 133 -12.504 -21.215 8.942 1.00 52.11 H new ATOM 0 HB2 ASN A 133 -13.246 -20.921 6.026 1.00 2.54 H new ATOM 0 HB3 ASN A 133 -14.513 -21.011 7.234 1.00 2.54 H new ATOM 0 HD21 ASN A 133 -12.024 -17.801 7.987 1.00 13.44 H new ATOM 0 HD22 ASN A 133 -11.383 -19.447 7.936 1.00 13.44 H new