USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 662 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 THR OG1 : rot 78:sc= 0.225 USER MOD Set 1.2: A 162 TYR OH : rot 180:sc= 0.183 USER MOD Set 2.1: A 132 CYS SG : rot 63:sc= -9.13! USER MOD Set 2.2: A 150 CYS SG : rot -20:sc= -6.29! USER MOD Set 2.3: A 151 LYS NZ :NH3+ 164:sc= 0.316 (180deg=0.164) USER MOD Set 3.1: A 100 HIS : no HE2:sc= -12.3! C(o=-14!,f=-21!) USER MOD Set 3.2: A 123 CYS SG : rot 12:sc= -0.769 USER MOD Set 3.3: A 127 CYS SG : rot 90:sc= -1.33 USER MOD Set 4.1: A 75 HIS : no HE2:sc= -9.69! C(o=-12!,f=-12!) USER MOD Set 4.2: A 112 CYS SG : rot 41:sc= -2.68 USER MOD Set 5.1: A 34 CYS SG : rot 28:sc= -7.02! USER MOD Set 5.2: A 47 CYS SG : rot 149:sc= -11.2! USER MOD Set 6.1: A 26 SER OG : rot 107:sc= 0.433 USER MOD Set 6.2: A 28 ASN : amide:sc= 0.0827 K(o=0.52,f=-0.058) USER MOD Set 7.1: A 17 HIS : no HD1:sc= -2.25! C(o=-21!,f=-28!) USER MOD Set 7.2: A 18 CYS SG : rot 37:sc= -3.61! USER MOD Set 7.3: A 21 ASN : amide:sc= -15.1! C(o=-21!,f=-22!) USER MOD Single : A 24 ASN : amide:sc= -2.24 K(o=-2.2,f=-3.4!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0.0152 USER MOD Single : A 29 CYS SG : rot 154:sc= -1.77! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 28:sc= 0.14 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.7) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.608 USER MOD Single : A 53 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.9!) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.96! C(o=-4.7!,f=-2!) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.352 USER MOD Single : A 66 ASN :FLIP amide:sc= -1.28 F(o=-4!,f=-1.3) USER MOD Single : A 69 HIS : no HD1:sc= -5.08 K(o=-5.1,f=-6.1!) USER MOD Single : A 71 CYS SG : rot 125:sc= 0.0143 USER MOD Single : A 72 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.68) USER MOD Single : A 73 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.52) USER MOD Single : A 74 CYS SG : rot -71:sc= -2.3! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 83 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.41) USER MOD Single : A 84 CYS SG : rot 90:sc= -1.31 USER MOD Single : A 85 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-4.5!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 69:sc= 0.00828 USER MOD Single : A 88 CYS SG : rot 121:sc= 1.08 USER MOD Single : A 99 THR OG1 : rot -11:sc= -0.845 USER MOD Single : A 105 LYS NZ :NH3+ -117:sc= -0.237 (180deg=-1.19) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00106) USER MOD Single : A 125 CYS SG : rot 180:sc= -0.508 USER MOD Single : A 128 SER OG : rot 180:sc= -0.789 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.5) USER MOD Single : A 152 THR OG1 : rot 43:sc= -3.03! USER MOD Single : A 163 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.59) USER MOD Single : A 164 SER OG : rot 180:sc= 0.00989 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 9.071 -4.303 5.902 1.00 50.23 N ATOM 217 CA HIS A 17 8.385 -5.483 6.416 1.00 12.43 C ATOM 218 C HIS A 17 6.922 -5.172 6.718 1.00 52.02 C ATOM 219 O HIS A 17 6.405 -4.127 6.321 1.00 74.12 O ATOM 220 CB HIS A 17 9.080 -5.993 7.679 1.00 64.14 C ATOM 221 CG HIS A 17 9.201 -7.485 7.734 1.00 2.12 C ATOM 222 ND1 HIS A 17 8.295 -8.289 8.393 1.00 63.33 N ATOM 223 CD2 HIS A 17 10.128 -8.318 7.207 1.00 62.43 C ATOM 224 CE1 HIS A 17 8.661 -9.553 8.269 1.00 12.25 C ATOM 225 NE2 HIS A 17 9.770 -9.598 7.554 1.00 50.23 N ATOM 0 HA HIS A 17 8.424 -6.258 5.650 1.00 12.43 H new ATOM 0 HB2 HIS A 17 10.076 -5.553 7.739 1.00 64.14 H new ATOM 0 HB3 HIS A 17 8.527 -5.649 8.553 1.00 64.14 H new ATOM 0 HD2 HIS A 17 10.989 -8.030 6.622 1.00 62.43 H new ATOM 0 HE1 HIS A 17 8.141 -10.405 8.682 1.00 12.25 H new ATOM 0 HE2 HIS A 17 10.278 -10.445 7.301 1.00 50.23 H new ATOM 233 N CYS A 18 6.261 -6.085 7.420 1.00 31.24 N ATOM 234 CA CYS A 18 4.857 -5.909 7.774 1.00 74.35 C ATOM 235 C CYS A 18 4.716 -5.395 9.202 1.00 33.05 C ATOM 236 O CYS A 18 5.688 -4.947 9.811 1.00 61.45 O ATOM 237 CB CYS A 18 4.101 -7.229 7.617 1.00 74.52 C ATOM 238 SG CYS A 18 5.169 -8.666 7.359 1.00 55.52 S ATOM 0 H CYS A 18 6.675 -6.955 7.756 1.00 31.24 H new ATOM 0 HA CYS A 18 4.428 -5.170 7.098 1.00 74.35 H new ATOM 0 HB2 CYS A 18 3.494 -7.396 8.507 1.00 74.52 H new ATOM 0 HB3 CYS A 18 3.414 -7.144 6.775 1.00 74.52 H new ATOM 0 HG CYS A 18 6.249 -8.538 8.071 1.00 55.52 H new ATOM 244 N ASP A 19 3.499 -5.461 9.732 1.00 41.32 N ATOM 245 CA ASP A 19 3.230 -5.001 11.089 1.00 21.15 C ATOM 246 C ASP A 19 3.995 -5.840 12.109 1.00 75.23 C ATOM 247 O ASP A 19 5.225 -5.828 12.140 1.00 54.21 O ATOM 248 CB ASP A 19 1.730 -5.061 11.383 1.00 3.22 C ATOM 249 CG ASP A 19 0.928 -4.138 10.487 1.00 33.04 C ATOM 250 OD1 ASP A 19 1.432 -3.044 10.157 1.00 24.22 O ATOM 251 OD2 ASP A 19 -0.205 -4.510 10.116 1.00 42.14 O ATOM 0 H ASP A 19 2.683 -5.829 9.242 1.00 41.32 H new ATOM 0 HA ASP A 19 3.567 -3.967 11.169 1.00 21.15 H new ATOM 0 HB2 ASP A 19 1.378 -6.084 11.254 1.00 3.22 H new ATOM 0 HB3 ASP A 19 1.556 -4.793 12.425 1.00 3.22 H new ATOM 256 N ALA A 20 3.257 -6.567 12.941 1.00 32.33 N ATOM 257 CA ALA A 20 3.865 -7.413 13.961 1.00 0.10 C ATOM 258 C ALA A 20 5.108 -8.113 13.423 1.00 25.15 C ATOM 259 O ALA A 20 6.209 -7.926 13.940 1.00 63.13 O ATOM 260 CB ALA A 20 2.859 -8.435 14.468 1.00 73.42 C ATOM 0 H ALA A 20 2.237 -6.587 12.929 1.00 32.33 H new ATOM 0 HA ALA A 20 4.169 -6.777 14.792 1.00 0.10 H new ATOM 0 HB1 ALA A 20 3.327 -9.060 15.229 1.00 73.42 H new ATOM 0 HB2 ALA A 20 2.002 -7.918 14.899 1.00 73.42 H new ATOM 0 HB3 ALA A 20 2.527 -9.060 13.639 1.00 73.42 H new ATOM 266 N ASN A 21 4.924 -8.921 12.384 1.00 45.40 N ATOM 267 CA ASN A 21 6.032 -9.650 11.777 1.00 21.13 C ATOM 268 C ASN A 21 7.219 -8.725 11.525 1.00 70.33 C ATOM 269 O ASN A 21 8.371 -9.111 11.716 1.00 5.22 O ATOM 270 CB ASN A 21 5.586 -10.296 10.464 1.00 21.32 C ATOM 271 CG ASN A 21 4.158 -9.939 10.100 1.00 41.03 C ATOM 272 OD1 ASN A 21 3.379 -10.796 9.683 1.00 31.43 O ATOM 273 ND2 ASN A 21 3.808 -8.667 10.255 1.00 65.30 N ATOM 0 H ASN A 21 4.019 -9.088 11.945 1.00 45.40 H new ATOM 0 HA ASN A 21 6.344 -10.431 12.471 1.00 21.13 H new ATOM 0 HB2 ASN A 21 6.253 -9.979 9.662 1.00 21.32 H new ATOM 0 HB3 ASN A 21 5.677 -11.379 10.546 1.00 21.32 H new ATOM 0 HD21 ASN A 21 2.861 -8.367 10.025 1.00 65.30 H new ATOM 0 HD22 ASN A 21 4.487 -7.990 10.604 1.00 65.30 H new ATOM 280 N GLY A 22 6.928 -7.502 11.094 1.00 52.45 N ATOM 281 CA GLY A 22 7.981 -6.541 10.822 1.00 12.41 C ATOM 282 C GLY A 22 8.825 -6.245 12.046 1.00 40.42 C ATOM 283 O GLY A 22 10.053 -6.228 11.970 1.00 1.25 O ATOM 0 H GLY A 22 5.982 -7.159 10.928 1.00 52.45 H new ATOM 0 HA2 GLY A 22 8.621 -6.923 10.027 1.00 12.41 H new ATOM 0 HA3 GLY A 22 7.538 -5.614 10.457 1.00 12.41 H new ATOM 287 N GLU A 23 8.165 -6.009 13.175 1.00 0.14 N ATOM 288 CA GLU A 23 8.864 -5.709 14.420 1.00 61.35 C ATOM 289 C GLU A 23 9.317 -6.992 15.112 1.00 51.24 C ATOM 290 O GLU A 23 10.136 -6.959 16.029 1.00 52.50 O ATOM 291 CB GLU A 23 7.962 -4.903 15.356 1.00 40.31 C ATOM 292 CG GLU A 23 8.625 -3.655 15.914 1.00 51.40 C ATOM 293 CD GLU A 23 9.204 -2.767 14.829 1.00 24.24 C ATOM 294 OE1 GLU A 23 10.390 -2.391 14.942 1.00 11.34 O ATOM 295 OE2 GLU A 23 8.473 -2.449 13.869 1.00 62.24 O ATOM 0 H GLU A 23 7.148 -6.020 13.254 1.00 0.14 H new ATOM 0 HA GLU A 23 9.746 -5.116 14.178 1.00 61.35 H new ATOM 0 HB2 GLU A 23 7.059 -4.615 14.818 1.00 40.31 H new ATOM 0 HB3 GLU A 23 7.650 -5.540 16.184 1.00 40.31 H new ATOM 0 HG2 GLU A 23 7.895 -3.088 16.492 1.00 51.40 H new ATOM 0 HG3 GLU A 23 9.419 -3.946 16.602 1.00 51.40 H new ATOM 302 N ASN A 24 8.777 -8.121 14.665 1.00 54.15 N ATOM 303 CA ASN A 24 9.124 -9.415 15.241 1.00 54.20 C ATOM 304 C ASN A 24 10.406 -9.961 14.620 1.00 11.31 C ATOM 305 O ASN A 24 11.132 -10.732 15.248 1.00 4.33 O ATOM 306 CB ASN A 24 7.980 -10.411 15.036 1.00 3.21 C ATOM 307 CG ASN A 24 8.352 -11.529 14.081 1.00 32.04 C ATOM 308 OD1 ASN A 24 8.735 -11.282 12.938 1.00 63.21 O ATOM 309 ND2 ASN A 24 8.239 -12.767 14.548 1.00 21.12 N ATOM 0 H ASN A 24 8.097 -8.166 13.906 1.00 54.15 H new ATOM 0 HA ASN A 24 9.290 -9.277 16.309 1.00 54.20 H new ATOM 0 HB2 ASN A 24 7.696 -10.838 15.998 1.00 3.21 H new ATOM 0 HB3 ASN A 24 7.107 -9.884 14.652 1.00 3.21 H new ATOM 0 HD21 ASN A 24 8.474 -13.560 13.952 1.00 21.12 H new ATOM 0 HD22 ASN A 24 7.917 -12.924 15.503 1.00 21.12 H new ATOM 316 N CYS A 25 10.677 -9.555 13.385 1.00 64.33 N ATOM 317 CA CYS A 25 11.872 -10.004 12.678 1.00 2.32 C ATOM 318 C CYS A 25 12.916 -8.894 12.617 1.00 43.40 C ATOM 319 O CYS A 25 14.116 -9.150 12.717 1.00 41.00 O ATOM 320 CB CYS A 25 11.512 -10.460 11.264 1.00 63.43 C ATOM 321 SG CYS A 25 12.664 -11.664 10.561 1.00 30.32 S ATOM 0 H CYS A 25 10.086 -8.916 12.852 1.00 64.33 H new ATOM 0 HA CYS A 25 12.294 -10.846 13.227 1.00 2.32 H new ATOM 0 HB2 CYS A 25 10.512 -10.894 11.277 1.00 63.43 H new ATOM 0 HB3 CYS A 25 11.472 -9.588 10.612 1.00 63.43 H new ATOM 0 HG CYS A 25 12.274 -11.990 9.364 1.00 30.32 H new ATOM 327 N SER A 26 12.451 -7.660 12.450 1.00 4.53 N ATOM 328 CA SER A 26 13.345 -6.510 12.370 1.00 64.30 C ATOM 329 C SER A 26 12.740 -5.301 13.076 1.00 2.13 C ATOM 330 O SER A 26 11.532 -5.071 13.012 1.00 31.23 O ATOM 331 CB SER A 26 13.639 -6.167 10.908 1.00 21.23 C ATOM 332 OG SER A 26 12.606 -5.372 10.353 1.00 13.05 O ATOM 0 H SER A 26 11.461 -7.431 12.367 1.00 4.53 H new ATOM 0 HA SER A 26 14.278 -6.771 12.870 1.00 64.30 H new ATOM 0 HB2 SER A 26 14.588 -5.635 10.840 1.00 21.23 H new ATOM 0 HB3 SER A 26 13.746 -7.085 10.330 1.00 21.23 H new ATOM 0 HG SER A 26 12.924 -4.451 10.245 1.00 13.05 H new ATOM 338 N CYS A 27 13.588 -4.532 13.749 1.00 4.54 N ATOM 339 CA CYS A 27 13.139 -3.345 14.469 1.00 35.44 C ATOM 340 C CYS A 27 12.782 -2.223 13.500 1.00 63.33 C ATOM 341 O CYS A 27 12.931 -1.044 13.818 1.00 64.35 O ATOM 342 CB CYS A 27 14.221 -2.872 15.441 1.00 53.12 C ATOM 343 SG CYS A 27 15.007 -4.204 16.376 1.00 22.53 S ATOM 0 H CYS A 27 14.591 -4.709 13.811 1.00 4.54 H new ATOM 0 HA CYS A 27 12.245 -3.610 15.034 1.00 35.44 H new ATOM 0 HB2 CYS A 27 14.987 -2.334 14.882 1.00 53.12 H new ATOM 0 HB3 CYS A 27 13.780 -2.162 16.141 1.00 53.12 H new ATOM 0 HG CYS A 27 15.909 -3.705 17.168 1.00 22.53 H new ATOM 349 N ASN A 28 12.312 -2.599 12.315 1.00 63.43 N ATOM 350 CA ASN A 28 11.937 -1.625 11.297 1.00 51.50 C ATOM 351 C ASN A 28 11.110 -2.280 10.195 1.00 43.23 C ATOM 352 O ASN A 28 11.603 -3.139 9.463 1.00 60.21 O ATOM 353 CB ASN A 28 13.186 -0.976 10.696 1.00 30.44 C ATOM 354 CG ASN A 28 14.399 -1.885 10.765 1.00 15.44 C ATOM 355 OD1 ASN A 28 14.451 -2.920 10.101 1.00 1.22 O ATOM 356 ND2 ASN A 28 15.381 -1.500 11.572 1.00 15.13 N ATOM 0 H ASN A 28 12.182 -3.572 12.036 1.00 63.43 H new ATOM 0 HA ASN A 28 11.330 -0.855 11.773 1.00 51.50 H new ATOM 0 HB2 ASN A 28 12.991 -0.713 9.656 1.00 30.44 H new ATOM 0 HB3 ASN A 28 13.400 -0.047 11.225 1.00 30.44 H new ATOM 0 HD21 ASN A 28 16.222 -2.071 11.660 1.00 15.13 H new ATOM 0 HD22 ASN A 28 15.294 -0.634 12.104 1.00 15.13 H new ATOM 363 N CYS A 29 9.853 -1.868 10.082 1.00 55.21 N ATOM 364 CA CYS A 29 8.957 -2.415 9.069 1.00 52.41 C ATOM 365 C CYS A 29 8.023 -1.336 8.530 1.00 71.04 C ATOM 366 O CYS A 29 7.857 -0.283 9.143 1.00 12.53 O ATOM 367 CB CYS A 29 8.140 -3.569 9.650 1.00 31.44 C ATOM 368 SG CYS A 29 7.239 -3.149 11.161 1.00 72.14 S ATOM 0 H CYS A 29 9.431 -1.157 10.679 1.00 55.21 H new ATOM 0 HA CYS A 29 9.565 -2.789 8.245 1.00 52.41 H new ATOM 0 HB2 CYS A 29 7.428 -3.910 8.898 1.00 31.44 H new ATOM 0 HB3 CYS A 29 8.808 -4.404 9.859 1.00 31.44 H new ATOM 0 HG CYS A 29 6.202 -3.925 11.278 1.00 72.14 H new ATOM 374 N GLU A 30 7.417 -1.607 7.377 1.00 4.35 N ATOM 375 CA GLU A 30 6.502 -0.657 6.755 1.00 64.43 C ATOM 376 C GLU A 30 5.462 -1.382 5.905 1.00 1.21 C ATOM 377 O GLU A 30 5.462 -1.274 4.678 1.00 14.11 O ATOM 378 CB GLU A 30 7.277 0.340 5.891 1.00 1.32 C ATOM 379 CG GLU A 30 6.496 1.604 5.572 1.00 1.12 C ATOM 380 CD GLU A 30 5.917 1.594 4.171 1.00 35.30 C ATOM 381 OE1 GLU A 30 6.616 2.040 3.237 1.00 15.33 O ATOM 382 OE2 GLU A 30 4.765 1.140 4.008 1.00 31.41 O ATOM 0 H GLU A 30 7.543 -2.475 6.856 1.00 4.35 H new ATOM 0 HA GLU A 30 5.986 -0.115 7.548 1.00 64.43 H new ATOM 0 HB2 GLU A 30 8.199 0.613 6.404 1.00 1.32 H new ATOM 0 HB3 GLU A 30 7.563 -0.146 4.958 1.00 1.32 H new ATOM 0 HG2 GLU A 30 5.688 1.719 6.294 1.00 1.12 H new ATOM 0 HG3 GLU A 30 7.150 2.469 5.685 1.00 1.12 H new ATOM 389 N LEU A 31 4.578 -2.120 6.566 1.00 33.41 N ATOM 390 CA LEU A 31 3.531 -2.864 5.873 1.00 44.12 C ATOM 391 C LEU A 31 2.672 -3.645 6.862 1.00 51.03 C ATOM 392 O LEU A 31 2.880 -3.573 8.073 1.00 30.01 O ATOM 393 CB LEU A 31 4.149 -3.820 4.851 1.00 43.32 C ATOM 394 CG LEU A 31 3.412 -3.944 3.517 1.00 64.02 C ATOM 395 CD1 LEU A 31 4.293 -3.464 2.374 1.00 40.13 C ATOM 396 CD2 LEU A 31 2.970 -5.381 3.284 1.00 34.20 C ATOM 0 H LEU A 31 4.565 -2.220 7.581 1.00 33.41 H new ATOM 0 HA LEU A 31 2.894 -2.148 5.353 1.00 44.12 H new ATOM 0 HB2 LEU A 31 5.170 -3.495 4.650 1.00 43.32 H new ATOM 0 HB3 LEU A 31 4.212 -4.810 5.302 1.00 43.32 H new ATOM 0 HG LEU A 31 2.524 -3.313 3.554 1.00 64.02 H new ATOM 0 HD11 LEU A 31 3.752 -3.560 1.433 1.00 40.13 H new ATOM 0 HD12 LEU A 31 4.560 -2.420 2.534 1.00 40.13 H new ATOM 0 HD13 LEU A 31 5.199 -4.068 2.335 1.00 40.13 H new ATOM 0 HD21 LEU A 31 2.447 -5.451 2.330 1.00 34.20 H new ATOM 0 HD22 LEU A 31 3.844 -6.032 3.267 1.00 34.20 H new ATOM 0 HD23 LEU A 31 2.302 -5.691 4.087 1.00 34.20 H new ATOM 408 N PHE A 32 1.707 -4.393 6.337 1.00 12.20 N ATOM 409 CA PHE A 32 0.816 -5.189 7.173 1.00 3.15 C ATOM 410 C PHE A 32 0.703 -6.615 6.643 1.00 33.22 C ATOM 411 O PHE A 32 0.579 -6.833 5.438 1.00 54.22 O ATOM 412 CB PHE A 32 -0.570 -4.544 7.237 1.00 70.42 C ATOM 413 CG PHE A 32 -1.129 -4.191 5.888 1.00 31.23 C ATOM 414 CD1 PHE A 32 -0.823 -2.978 5.293 1.00 73.00 C ATOM 415 CD2 PHE A 32 -1.961 -5.072 5.216 1.00 21.21 C ATOM 416 CE1 PHE A 32 -1.336 -2.650 4.052 1.00 42.11 C ATOM 417 CE2 PHE A 32 -2.476 -4.750 3.975 1.00 41.22 C ATOM 418 CZ PHE A 32 -2.164 -3.537 3.393 1.00 51.25 C ATOM 0 H PHE A 32 1.522 -4.465 5.336 1.00 12.20 H new ATOM 0 HA PHE A 32 1.238 -5.226 8.177 1.00 3.15 H new ATOM 0 HB2 PHE A 32 -1.257 -5.226 7.739 1.00 70.42 H new ATOM 0 HB3 PHE A 32 -0.514 -3.642 7.846 1.00 70.42 H new ATOM 0 HD1 PHE A 32 -0.176 -2.281 5.805 1.00 73.00 H new ATOM 0 HD2 PHE A 32 -2.210 -6.021 5.667 1.00 21.21 H new ATOM 0 HE1 PHE A 32 -1.090 -1.701 3.599 1.00 42.11 H new ATOM 0 HE2 PHE A 32 -3.122 -5.446 3.461 1.00 41.22 H new ATOM 0 HZ PHE A 32 -2.567 -3.283 2.424 1.00 51.25 H new ATOM 428 N ASP A 33 0.747 -7.583 7.552 1.00 13.12 N ATOM 429 CA ASP A 33 0.648 -8.989 7.177 1.00 3.15 C ATOM 430 C ASP A 33 -0.535 -9.655 7.872 1.00 13.11 C ATOM 431 O ASP A 33 -1.118 -9.096 8.802 1.00 51.02 O ATOM 432 CB ASP A 33 1.942 -9.724 7.530 1.00 62.31 C ATOM 433 CG ASP A 33 2.701 -10.183 6.300 1.00 0.21 C ATOM 434 OD1 ASP A 33 2.547 -9.547 5.236 1.00 12.01 O ATOM 435 OD2 ASP A 33 3.450 -11.177 6.402 1.00 52.33 O ATOM 0 H ASP A 33 0.851 -7.420 8.554 1.00 13.12 H new ATOM 0 HA ASP A 33 0.490 -9.042 6.100 1.00 3.15 H new ATOM 0 HB2 ASP A 33 2.579 -9.068 8.123 1.00 62.31 H new ATOM 0 HB3 ASP A 33 1.708 -10.588 8.152 1.00 62.31 H new ATOM 440 N CYS A 34 -0.887 -10.852 7.414 1.00 5.23 N ATOM 441 CA CYS A 34 -2.001 -11.594 7.990 1.00 74.34 C ATOM 442 C CYS A 34 -1.581 -13.017 8.348 1.00 44.32 C ATOM 443 O CYS A 34 -0.417 -13.270 8.658 1.00 72.44 O ATOM 444 CB CYS A 34 -3.177 -11.630 7.011 1.00 10.41 C ATOM 445 SG CYS A 34 -4.799 -11.332 7.786 1.00 44.20 S ATOM 0 H CYS A 34 -0.416 -11.329 6.645 1.00 5.23 H new ATOM 0 HA CYS A 34 -2.310 -11.085 8.903 1.00 74.34 H new ATOM 0 HB2 CYS A 34 -3.014 -10.881 6.236 1.00 10.41 H new ATOM 0 HB3 CYS A 34 -3.195 -12.602 6.517 1.00 10.41 H new ATOM 0 HG CYS A 34 -4.645 -10.591 8.843 1.00 44.20 H new ATOM 450 N GLU A 35 -2.536 -13.940 8.302 1.00 12.24 N ATOM 451 CA GLU A 35 -2.264 -15.336 8.623 1.00 73.23 C ATOM 452 C GLU A 35 -0.903 -15.764 8.081 1.00 52.51 C ATOM 453 O GLU A 35 -0.387 -15.173 7.133 1.00 54.53 O ATOM 454 CB GLU A 35 -3.360 -16.237 8.048 1.00 3.14 C ATOM 455 CG GLU A 35 -3.688 -15.945 6.594 1.00 45.22 C ATOM 456 CD GLU A 35 -4.896 -15.043 6.438 1.00 54.20 C ATOM 457 OE1 GLU A 35 -4.832 -14.102 5.619 1.00 10.44 O ATOM 458 OE2 GLU A 35 -5.906 -15.277 7.134 1.00 31.31 O ATOM 0 H GLU A 35 -3.504 -13.747 8.046 1.00 12.24 H new ATOM 0 HA GLU A 35 -2.252 -15.437 9.708 1.00 73.23 H new ATOM 0 HB2 GLU A 35 -3.048 -17.277 8.139 1.00 3.14 H new ATOM 0 HB3 GLU A 35 -4.264 -16.122 8.646 1.00 3.14 H new ATOM 0 HG2 GLU A 35 -2.826 -15.477 6.118 1.00 45.22 H new ATOM 0 HG3 GLU A 35 -3.870 -16.884 6.071 1.00 45.22 H new ATOM 465 N ALA A 36 -0.327 -16.794 8.691 1.00 72.21 N ATOM 466 CA ALA A 36 0.973 -17.302 8.270 1.00 75.12 C ATOM 467 C ALA A 36 0.988 -17.598 6.774 1.00 40.31 C ATOM 468 O ALA A 36 -0.059 -17.811 6.162 1.00 44.15 O ATOM 469 CB ALA A 36 1.332 -18.551 9.060 1.00 24.33 C ATOM 0 H ALA A 36 -0.740 -17.293 9.479 1.00 72.21 H new ATOM 0 HA ALA A 36 1.719 -16.532 8.469 1.00 75.12 H new ATOM 0 HB1 ALA A 36 2.305 -18.920 8.735 1.00 24.33 H new ATOM 0 HB2 ALA A 36 1.371 -18.311 10.122 1.00 24.33 H new ATOM 0 HB3 ALA A 36 0.578 -19.319 8.889 1.00 24.33 H new ATOM 475 N LYS A 37 2.181 -17.608 6.190 1.00 65.40 N ATOM 476 CA LYS A 37 2.334 -17.878 4.765 1.00 24.33 C ATOM 477 C LYS A 37 3.753 -18.342 4.449 1.00 74.15 C ATOM 478 O LYS A 37 4.703 -17.987 5.146 1.00 64.05 O ATOM 479 CB LYS A 37 2.001 -16.627 3.950 1.00 45.05 C ATOM 480 CG LYS A 37 0.894 -16.841 2.933 1.00 54.33 C ATOM 481 CD LYS A 37 0.895 -15.755 1.870 1.00 12.52 C ATOM 482 CE LYS A 37 0.560 -14.394 2.463 1.00 21.41 C ATOM 483 NZ LYS A 37 0.574 -13.321 1.431 1.00 2.22 N ATOM 0 H LYS A 37 3.057 -17.432 6.682 1.00 65.40 H new ATOM 0 HA LYS A 37 1.641 -18.675 4.494 1.00 24.33 H new ATOM 0 HB2 LYS A 37 1.708 -15.827 4.631 1.00 45.05 H new ATOM 0 HB3 LYS A 37 2.899 -16.291 3.432 1.00 45.05 H new ATOM 0 HG2 LYS A 37 1.017 -17.815 2.459 1.00 54.33 H new ATOM 0 HG3 LYS A 37 -0.070 -16.853 3.441 1.00 54.33 H new ATOM 0 HD2 LYS A 37 1.873 -15.714 1.391 1.00 12.52 H new ATOM 0 HD3 LYS A 37 0.171 -16.003 1.094 1.00 12.52 H new ATOM 0 HE2 LYS A 37 -0.423 -14.434 2.932 1.00 21.41 H new ATOM 0 HE3 LYS A 37 1.278 -14.153 3.247 1.00 21.41 H new ATOM 0 HZ1 LYS A 37 0.341 -12.410 1.875 1.00 2.22 H new ATOM 0 HZ2 LYS A 37 1.519 -13.265 1.001 1.00 2.22 H new ATOM 0 HZ3 LYS A 37 -0.129 -13.538 0.695 1.00 2.22 H new ATOM 497 N LYS A 38 3.888 -19.136 3.392 1.00 63.20 N ATOM 498 CA LYS A 38 5.191 -19.647 2.980 1.00 15.22 C ATOM 499 C LYS A 38 5.487 -19.275 1.531 1.00 4.21 C ATOM 500 O LYS A 38 4.893 -19.807 0.594 1.00 74.51 O ATOM 501 CB LYS A 38 5.242 -21.167 3.148 1.00 34.14 C ATOM 502 CG LYS A 38 6.548 -21.787 2.682 1.00 14.04 C ATOM 503 CD LYS A 38 6.482 -22.191 1.219 1.00 2.10 C ATOM 504 CE LYS A 38 6.821 -23.662 1.031 1.00 10.22 C ATOM 505 NZ LYS A 38 6.876 -24.039 -0.408 1.00 40.24 N ATOM 0 H LYS A 38 3.111 -19.440 2.805 1.00 63.20 H new ATOM 0 HA LYS A 38 5.950 -19.192 3.616 1.00 15.22 H new ATOM 0 HB2 LYS A 38 5.087 -21.413 4.198 1.00 34.14 H new ATOM 0 HB3 LYS A 38 4.418 -21.614 2.591 1.00 34.14 H new ATOM 0 HG2 LYS A 38 7.362 -21.077 2.828 1.00 14.04 H new ATOM 0 HG3 LYS A 38 6.775 -22.661 3.292 1.00 14.04 H new ATOM 0 HD2 LYS A 38 5.483 -21.994 0.831 1.00 2.10 H new ATOM 0 HD3 LYS A 38 7.175 -21.580 0.640 1.00 2.10 H new ATOM 0 HE2 LYS A 38 7.782 -23.876 1.499 1.00 10.22 H new ATOM 0 HE3 LYS A 38 6.076 -24.274 1.539 1.00 10.22 H new ATOM 0 HZ1 LYS A 38 7.110 -25.049 -0.494 1.00 40.24 H new ATOM 0 HZ2 LYS A 38 5.952 -23.859 -0.850 1.00 40.24 H new ATOM 0 HZ3 LYS A 38 7.605 -23.473 -0.888 1.00 40.24 H new ATOM 519 N PRO A 39 6.430 -18.340 1.340 1.00 0.24 N ATOM 520 CA PRO A 39 6.828 -17.878 0.008 1.00 44.35 C ATOM 521 C PRO A 39 7.590 -18.944 -0.772 1.00 73.23 C ATOM 522 O PRO A 39 7.382 -19.115 -1.974 1.00 3.22 O ATOM 523 CB PRO A 39 7.736 -16.681 0.304 1.00 65.54 C ATOM 524 CG PRO A 39 8.271 -16.941 1.670 1.00 40.42 C ATOM 525 CD PRO A 39 7.180 -17.662 2.411 1.00 31.24 C ATOM 0 HA PRO A 39 5.966 -17.634 -0.613 1.00 44.35 H new ATOM 0 HB2 PRO A 39 8.540 -16.603 -0.428 1.00 65.54 H new ATOM 0 HB3 PRO A 39 7.180 -15.744 0.268 1.00 65.54 H new ATOM 0 HG2 PRO A 39 9.178 -17.545 1.626 1.00 40.42 H new ATOM 0 HG3 PRO A 39 8.533 -16.009 2.171 1.00 40.42 H new ATOM 0 HD2 PRO A 39 7.585 -18.374 3.130 1.00 31.24 H new ATOM 0 HD3 PRO A 39 6.548 -16.971 2.968 1.00 31.24 H new ATOM 533 N ASP A 40 8.471 -19.659 -0.082 1.00 33.44 N ATOM 534 CA ASP A 40 9.262 -20.711 -0.710 1.00 21.15 C ATOM 535 C ASP A 40 10.157 -21.403 0.314 1.00 12.44 C ATOM 536 O ASP A 40 11.274 -21.812 0.002 1.00 41.14 O ATOM 537 CB ASP A 40 10.113 -20.132 -1.841 1.00 4.15 C ATOM 538 CG ASP A 40 10.816 -18.850 -1.438 1.00 61.21 C ATOM 539 OD1 ASP A 40 11.194 -18.727 -0.254 1.00 12.20 O ATOM 540 OD2 ASP A 40 10.989 -17.971 -2.308 1.00 0.25 O ATOM 0 H ASP A 40 8.656 -19.529 0.913 1.00 33.44 H new ATOM 0 HA ASP A 40 8.576 -21.450 -1.124 1.00 21.15 H new ATOM 0 HB2 ASP A 40 10.855 -20.869 -2.147 1.00 4.15 H new ATOM 0 HB3 ASP A 40 9.479 -19.939 -2.707 1.00 4.15 H new ATOM 545 N GLY A 41 9.657 -21.529 1.540 1.00 4.53 N ATOM 546 CA GLY A 41 10.425 -22.170 2.592 1.00 41.42 C ATOM 547 C GLY A 41 9.546 -22.723 3.696 1.00 64.21 C ATOM 548 O GLY A 41 9.405 -23.938 3.836 1.00 4.01 O ATOM 0 H GLY A 41 8.734 -21.199 1.823 1.00 4.53 H new ATOM 0 HA2 GLY A 41 11.017 -22.979 2.164 1.00 41.42 H new ATOM 0 HA3 GLY A 41 11.126 -21.451 3.016 1.00 41.42 H new ATOM 552 N SER A 42 8.955 -21.830 4.483 1.00 22.33 N ATOM 553 CA SER A 42 8.090 -22.237 5.585 1.00 51.54 C ATOM 554 C SER A 42 6.995 -21.202 5.825 1.00 11.22 C ATOM 555 O SER A 42 7.102 -20.055 5.390 1.00 24.01 O ATOM 556 CB SER A 42 8.911 -22.433 6.860 1.00 10.15 C ATOM 557 OG SER A 42 9.442 -23.745 6.928 1.00 0.03 O ATOM 0 H SER A 42 9.059 -20.821 4.379 1.00 22.33 H new ATOM 0 HA SER A 42 7.620 -23.183 5.316 1.00 51.54 H new ATOM 0 HB2 SER A 42 9.723 -21.707 6.888 1.00 10.15 H new ATOM 0 HB3 SER A 42 8.285 -22.245 7.732 1.00 10.15 H new ATOM 0 HG SER A 42 9.565 -24.095 6.021 1.00 0.03 H new ATOM 563 N TYR A 43 5.942 -21.615 6.521 1.00 73.51 N ATOM 564 CA TYR A 43 4.825 -20.726 6.818 1.00 31.42 C ATOM 565 C TYR A 43 5.025 -20.031 8.161 1.00 34.14 C ATOM 566 O TYR A 43 5.351 -20.670 9.161 1.00 2.01 O ATOM 567 CB TYR A 43 3.511 -21.509 6.827 1.00 71.41 C ATOM 568 CG TYR A 43 3.346 -22.428 5.638 1.00 73.42 C ATOM 569 CD1 TYR A 43 2.545 -22.067 4.561 1.00 12.44 C ATOM 570 CD2 TYR A 43 3.989 -23.659 5.591 1.00 43.23 C ATOM 571 CE1 TYR A 43 2.390 -22.903 3.473 1.00 22.20 C ATOM 572 CE2 TYR A 43 3.842 -24.501 4.506 1.00 73.11 C ATOM 573 CZ TYR A 43 3.041 -24.119 3.450 1.00 61.13 C ATOM 574 OH TYR A 43 2.890 -24.956 2.368 1.00 43.02 O ATOM 0 H TYR A 43 5.838 -22.560 6.890 1.00 73.51 H new ATOM 0 HA TYR A 43 4.781 -19.965 6.038 1.00 31.42 H new ATOM 0 HB2 TYR A 43 3.455 -22.099 7.742 1.00 71.41 H new ATOM 0 HB3 TYR A 43 2.679 -20.806 6.850 1.00 71.41 H new ATOM 0 HD1 TYR A 43 2.035 -21.115 4.575 1.00 12.44 H new ATOM 0 HD2 TYR A 43 4.615 -23.963 6.417 1.00 43.23 H new ATOM 0 HE1 TYR A 43 1.763 -22.607 2.645 1.00 22.20 H new ATOM 0 HE2 TYR A 43 4.351 -25.453 4.485 1.00 73.11 H new ATOM 0 HH TYR A 43 3.416 -25.771 2.509 1.00 43.02 H new ATOM 584 N ALA A 44 4.825 -18.717 8.175 1.00 30.35 N ATOM 585 CA ALA A 44 4.980 -17.934 9.395 1.00 30.10 C ATOM 586 C ALA A 44 4.751 -16.450 9.127 1.00 23.45 C ATOM 587 O ALA A 44 5.630 -15.760 8.611 1.00 41.34 O ATOM 588 CB ALA A 44 6.361 -18.158 9.994 1.00 53.31 C ATOM 0 H ALA A 44 4.555 -18.173 7.356 1.00 30.35 H new ATOM 0 HA ALA A 44 4.228 -18.268 10.110 1.00 30.10 H new ATOM 0 HB1 ALA A 44 6.463 -17.567 10.904 1.00 53.31 H new ATOM 0 HB2 ALA A 44 6.488 -19.214 10.231 1.00 53.31 H new ATOM 0 HB3 ALA A 44 7.123 -17.853 9.276 1.00 53.31 H new ATOM 594 N HIS A 45 3.565 -15.966 9.482 1.00 42.23 N ATOM 595 CA HIS A 45 3.221 -14.563 9.279 1.00 1.14 C ATOM 596 C HIS A 45 2.097 -14.138 10.220 1.00 62.13 C ATOM 597 O HIS A 45 0.931 -14.482 10.028 1.00 71.24 O ATOM 598 CB HIS A 45 2.806 -14.322 7.828 1.00 72.02 C ATOM 599 CG HIS A 45 3.950 -13.970 6.928 1.00 40.21 C ATOM 600 ND1 HIS A 45 5.052 -13.260 7.355 1.00 43.11 N ATOM 601 CD2 HIS A 45 4.160 -14.235 5.617 1.00 31.44 C ATOM 602 CE1 HIS A 45 5.890 -13.102 6.345 1.00 31.55 C ATOM 603 NE2 HIS A 45 5.372 -13.686 5.280 1.00 41.35 N ATOM 0 H HIS A 45 2.827 -16.524 9.911 1.00 42.23 H new ATOM 0 HA HIS A 45 4.103 -13.962 9.500 1.00 1.14 H new ATOM 0 HB2 HIS A 45 2.316 -15.217 7.446 1.00 72.02 H new ATOM 0 HB3 HIS A 45 2.070 -13.518 7.798 1.00 72.02 H new ATOM 0 HD2 HIS A 45 3.497 -14.777 4.959 1.00 31.44 H new ATOM 0 HE1 HIS A 45 6.837 -12.584 6.384 1.00 31.55 H new ATOM 0 HE2 HIS A 45 5.803 -13.723 4.356 1.00 41.35 H new ATOM 611 N PRO A 46 2.454 -13.373 11.262 1.00 43.22 N ATOM 612 CA PRO A 46 1.490 -12.885 12.253 1.00 64.03 C ATOM 613 C PRO A 46 0.549 -11.833 11.677 1.00 43.53 C ATOM 614 O PRO A 46 0.991 -10.841 11.096 1.00 4.30 O ATOM 615 CB PRO A 46 2.378 -12.272 13.339 1.00 52.22 C ATOM 616 CG PRO A 46 3.635 -11.896 12.633 1.00 21.55 C ATOM 617 CD PRO A 46 3.826 -12.924 11.553 1.00 64.42 C ATOM 0 HA PRO A 46 0.839 -13.681 12.615 1.00 64.03 H new ATOM 0 HB2 PRO A 46 1.904 -11.402 13.794 1.00 52.22 H new ATOM 0 HB3 PRO A 46 2.572 -12.985 14.141 1.00 52.22 H new ATOM 0 HG2 PRO A 46 3.560 -10.894 12.210 1.00 21.55 H new ATOM 0 HG3 PRO A 46 4.481 -11.889 13.320 1.00 21.55 H new ATOM 0 HD2 PRO A 46 4.304 -12.497 10.672 1.00 64.42 H new ATOM 0 HD3 PRO A 46 4.455 -13.748 11.889 1.00 64.42 H new ATOM 625 N CYS A 47 -0.751 -12.054 11.841 1.00 25.21 N ATOM 626 CA CYS A 47 -1.755 -11.125 11.338 1.00 60.23 C ATOM 627 C CYS A 47 -2.142 -10.110 12.409 1.00 51.31 C ATOM 628 O CYS A 47 -2.331 -10.462 13.573 1.00 2.14 O ATOM 629 CB CYS A 47 -2.996 -11.888 10.870 1.00 52.32 C ATOM 630 SG CYS A 47 -4.294 -10.828 10.156 1.00 54.13 S ATOM 0 H CYS A 47 -1.134 -12.870 12.319 1.00 25.21 H new ATOM 0 HA CYS A 47 -1.326 -10.588 10.492 1.00 60.23 H new ATOM 0 HB2 CYS A 47 -2.696 -12.628 10.127 1.00 52.32 H new ATOM 0 HB3 CYS A 47 -3.413 -12.436 11.715 1.00 52.32 H new ATOM 0 HG CYS A 47 -4.946 -11.492 9.248 1.00 54.13 H new ATOM 635 N ARG A 48 -2.259 -8.849 12.006 1.00 2.42 N ATOM 636 CA ARG A 48 -2.622 -7.782 12.931 1.00 14.20 C ATOM 637 C ARG A 48 -3.641 -8.274 13.955 1.00 1.22 C ATOM 638 O ARG A 48 -4.822 -7.934 13.883 1.00 71.50 O ATOM 639 CB ARG A 48 -3.190 -6.586 12.165 1.00 14.52 C ATOM 640 CG ARG A 48 -4.256 -6.963 11.149 1.00 65.13 C ATOM 641 CD ARG A 48 -3.670 -7.096 9.752 1.00 71.24 C ATOM 642 NE ARG A 48 -4.419 -6.319 8.768 1.00 40.30 N ATOM 643 CZ ARG A 48 -4.417 -4.991 8.724 1.00 24.14 C ATOM 644 NH1 ARG A 48 -3.708 -4.297 9.604 1.00 41.10 N ATOM 645 NH2 ARG A 48 -5.124 -4.355 7.799 1.00 63.20 N ATOM 0 H ARG A 48 -2.108 -8.541 11.045 1.00 2.42 H new ATOM 0 HA ARG A 48 -1.721 -7.472 13.460 1.00 14.20 H new ATOM 0 HB2 ARG A 48 -3.613 -5.877 12.877 1.00 14.52 H new ATOM 0 HB3 ARG A 48 -2.376 -6.074 11.652 1.00 14.52 H new ATOM 0 HG2 ARG A 48 -4.722 -7.904 11.441 1.00 65.13 H new ATOM 0 HG3 ARG A 48 -5.041 -6.207 11.145 1.00 65.13 H new ATOM 0 HD2 ARG A 48 -2.632 -6.765 9.761 1.00 71.24 H new ATOM 0 HD3 ARG A 48 -3.667 -8.146 9.459 1.00 71.24 H new ATOM 0 HE ARG A 48 -4.974 -6.823 8.077 1.00 40.30 H new ATOM 0 HH11 ARG A 48 -3.163 -4.783 10.316 1.00 41.10 H new ATOM 0 HH12 ARG A 48 -3.708 -3.278 9.568 1.00 41.10 H new ATOM 0 HH21 ARG A 48 -5.670 -4.885 7.120 1.00 63.20 H new ATOM 0 HH22 ARG A 48 -5.121 -3.336 7.767 1.00 63.20 H new ATOM 659 N ARG A 49 -3.175 -9.075 14.907 1.00 30.53 N ATOM 660 CA ARG A 49 -4.045 -9.616 15.945 1.00 53.51 C ATOM 661 C ARG A 49 -3.293 -10.612 16.821 1.00 24.42 C ATOM 662 O ARG A 49 -2.604 -11.500 16.317 1.00 24.35 O ATOM 663 CB ARG A 49 -5.265 -10.292 15.316 1.00 21.12 C ATOM 664 CG ARG A 49 -4.916 -11.251 14.190 1.00 71.13 C ATOM 665 CD ARG A 49 -6.099 -12.133 13.822 1.00 14.33 C ATOM 666 NE ARG A 49 -6.436 -13.070 14.890 1.00 22.43 N ATOM 667 CZ ARG A 49 -5.790 -14.213 15.095 1.00 11.05 C ATOM 668 NH1 ARG A 49 -4.779 -14.557 14.310 1.00 21.10 N ATOM 669 NH2 ARG A 49 -6.155 -15.014 16.088 1.00 13.25 N ATOM 0 H ARG A 49 -2.200 -9.364 14.981 1.00 30.53 H new ATOM 0 HA ARG A 49 -4.379 -8.789 16.571 1.00 53.51 H new ATOM 0 HB2 ARG A 49 -5.808 -10.835 16.089 1.00 21.12 H new ATOM 0 HB3 ARG A 49 -5.938 -9.525 14.933 1.00 21.12 H new ATOM 0 HG2 ARG A 49 -4.597 -10.685 13.315 1.00 71.13 H new ATOM 0 HG3 ARG A 49 -4.075 -11.876 14.490 1.00 71.13 H new ATOM 0 HD2 ARG A 49 -6.964 -11.507 13.603 1.00 14.33 H new ATOM 0 HD3 ARG A 49 -5.869 -12.688 12.912 1.00 14.33 H new ATOM 0 HE ARG A 49 -7.209 -12.834 15.512 1.00 22.43 H new ATOM 0 HH11 ARG A 49 -4.495 -13.944 13.546 1.00 21.10 H new ATOM 0 HH12 ARG A 49 -4.285 -15.435 14.470 1.00 21.10 H new ATOM 0 HH21 ARG A 49 -6.932 -14.753 16.695 1.00 13.25 H new ATOM 0 HH22 ARG A 49 -5.658 -15.891 16.244 1.00 13.25 H new ATOM 683 N CYS A 50 -3.429 -10.459 18.134 1.00 42.14 N ATOM 684 CA CYS A 50 -2.761 -11.345 19.080 1.00 4.35 C ATOM 685 C CYS A 50 -2.426 -12.683 18.430 1.00 40.01 C ATOM 686 O CYS A 50 -3.267 -13.579 18.362 1.00 31.45 O ATOM 687 CB CYS A 50 -3.641 -11.568 20.311 1.00 54.03 C ATOM 688 SG CYS A 50 -5.416 -11.538 19.964 1.00 64.25 S ATOM 0 H CYS A 50 -3.996 -9.730 18.567 1.00 42.14 H new ATOM 0 HA CYS A 50 -1.830 -10.870 19.389 1.00 4.35 H new ATOM 0 HB2 CYS A 50 -3.385 -12.529 20.758 1.00 54.03 H new ATOM 0 HB3 CYS A 50 -3.413 -10.801 21.051 1.00 54.03 H new ATOM 0 HG CYS A 50 -6.077 -11.738 21.065 1.00 64.25 H new ATOM 694 N ASP A 51 -1.193 -12.810 17.951 1.00 74.10 N ATOM 695 CA ASP A 51 -0.747 -14.039 17.305 1.00 52.23 C ATOM 696 C ASP A 51 0.654 -13.870 16.725 1.00 54.04 C ATOM 697 O ASP A 51 0.989 -12.817 16.184 1.00 43.21 O ATOM 698 CB ASP A 51 -1.725 -14.443 16.200 1.00 23.30 C ATOM 699 CG ASP A 51 -1.096 -14.388 14.822 1.00 41.33 C ATOM 700 OD1 ASP A 51 -0.895 -15.462 14.217 1.00 22.11 O ATOM 701 OD2 ASP A 51 -0.806 -13.270 14.347 1.00 2.10 O ATOM 0 H ASP A 51 -0.485 -12.077 17.998 1.00 74.10 H new ATOM 0 HA ASP A 51 -0.716 -14.826 18.058 1.00 52.23 H new ATOM 0 HB2 ASP A 51 -2.087 -15.453 16.391 1.00 23.30 H new ATOM 0 HB3 ASP A 51 -2.592 -13.783 16.227 1.00 23.30 H new ATOM 706 N ALA A 52 1.467 -14.914 16.842 1.00 20.32 N ATOM 707 CA ALA A 52 2.831 -14.882 16.329 1.00 51.11 C ATOM 708 C ALA A 52 3.118 -16.098 15.455 1.00 32.54 C ATOM 709 O ALA A 52 2.634 -17.197 15.726 1.00 13.51 O ATOM 710 CB ALA A 52 3.826 -14.808 17.478 1.00 74.31 C ATOM 0 H ALA A 52 1.205 -15.793 17.288 1.00 20.32 H new ATOM 0 HA ALA A 52 2.939 -13.990 15.712 1.00 51.11 H new ATOM 0 HB1 ALA A 52 4.840 -14.785 17.080 1.00 74.31 H new ATOM 0 HB2 ALA A 52 3.644 -13.904 18.060 1.00 74.31 H new ATOM 0 HB3 ALA A 52 3.708 -15.682 18.119 1.00 74.31 H new ATOM 716 N ASN A 53 3.908 -15.895 14.406 1.00 13.21 N ATOM 717 CA ASN A 53 4.258 -16.976 13.492 1.00 52.32 C ATOM 718 C ASN A 53 5.700 -16.839 13.014 1.00 4.54 C ATOM 719 O ASN A 53 6.016 -15.970 12.203 1.00 42.32 O ATOM 720 CB ASN A 53 3.310 -16.983 12.291 1.00 51.12 C ATOM 721 CG ASN A 53 2.406 -18.200 12.275 1.00 30.50 C ATOM 722 OD1 ASN A 53 1.183 -18.081 12.354 1.00 42.43 O ATOM 723 ND2 ASN A 53 3.006 -19.381 12.173 1.00 15.02 N ATOM 0 H ASN A 53 4.318 -14.992 14.168 1.00 13.21 H new ATOM 0 HA ASN A 53 4.160 -17.919 14.030 1.00 52.32 H new ATOM 0 HB2 ASN A 53 2.699 -16.080 12.309 1.00 51.12 H new ATOM 0 HB3 ASN A 53 3.894 -16.955 11.371 1.00 51.12 H new ATOM 0 HD21 ASN A 53 2.450 -20.236 12.158 1.00 15.02 H new ATOM 0 HD22 ASN A 53 4.023 -19.433 12.110 1.00 15.02 H new ATOM 730 N ASN A 54 6.571 -17.703 13.524 1.00 24.43 N ATOM 731 CA ASN A 54 7.981 -17.679 13.150 1.00 32.11 C ATOM 732 C ASN A 54 8.330 -18.873 12.267 1.00 72.12 C ATOM 733 O ASN A 54 7.598 -19.863 12.227 1.00 44.14 O ATOM 734 CB ASN A 54 8.862 -17.681 14.401 1.00 40.11 C ATOM 735 CG ASN A 54 8.097 -18.086 15.646 1.00 24.13 C ATOM 736 OD1 ASN A 54 6.967 -17.431 15.886 1.00 52.24 O flip ATOM 737 ND2 ASN A 54 8.518 -18.978 16.384 1.00 45.10 N flip ATOM 0 H ASN A 54 6.326 -18.429 14.197 1.00 24.43 H new ATOM 0 HA ASN A 54 8.166 -16.765 12.585 1.00 32.11 H new ATOM 0 HB2 ASN A 54 9.697 -18.365 14.253 1.00 40.11 H new ATOM 0 HB3 ASN A 54 9.286 -16.687 14.545 1.00 40.11 H new ATOM 0 HD21 ASN A 54 9.392 -19.455 16.161 1.00 45.10 H new ATOM 0 HD22 ASN A 54 7.993 -19.240 17.218 1.00 45.10 H new ATOM 853 N ILE A 63 0.494 -19.342 16.452 1.00 41.24 N ATOM 854 CA ILE A 63 -0.177 -19.246 17.742 1.00 70.41 C ATOM 855 C ILE A 63 -0.667 -17.826 18.003 1.00 21.11 C ATOM 856 O ILE A 63 -0.201 -16.861 17.397 1.00 11.10 O ATOM 857 CB ILE A 63 0.752 -19.677 18.893 1.00 54.13 C ATOM 858 CG1 ILE A 63 2.211 -19.662 18.433 1.00 53.34 C ATOM 859 CG2 ILE A 63 0.364 -21.059 19.397 1.00 10.24 C ATOM 860 CD1 ILE A 63 3.194 -19.998 19.531 1.00 4.04 C ATOM 0 HA ILE A 63 -1.032 -19.921 17.704 1.00 70.41 H new ATOM 0 HB ILE A 63 0.642 -18.968 19.714 1.00 54.13 H new ATOM 0 HG12 ILE A 63 2.333 -20.374 17.617 1.00 53.34 H new ATOM 0 HG13 ILE A 63 2.448 -18.676 18.034 1.00 53.34 H new ATOM 0 HG21 ILE A 63 1.029 -21.350 20.210 1.00 10.24 H new ATOM 0 HG22 ILE A 63 -0.664 -21.039 19.759 1.00 10.24 H new ATOM 0 HG23 ILE A 63 0.448 -21.780 18.584 1.00 10.24 H new ATOM 0 HD11 ILE A 63 4.208 -19.968 19.133 1.00 4.04 H new ATOM 0 HD12 ILE A 63 3.100 -19.272 20.338 1.00 4.04 H new ATOM 0 HD13 ILE A 63 2.984 -20.996 19.915 1.00 4.04 H new ATOM 872 N PRO A 64 -1.629 -17.693 18.929 1.00 44.45 N ATOM 873 CA PRO A 64 -2.201 -16.393 19.293 1.00 32.54 C ATOM 874 C PRO A 64 -1.212 -15.517 20.054 1.00 41.13 C ATOM 875 O PRO A 64 -0.006 -15.767 20.037 1.00 31.44 O ATOM 876 CB PRO A 64 -3.384 -16.767 20.190 1.00 11.45 C ATOM 877 CG PRO A 64 -3.026 -18.097 20.756 1.00 24.40 C ATOM 878 CD PRO A 64 -2.231 -18.800 19.690 1.00 4.33 C ATOM 0 HA PRO A 64 -2.480 -15.810 18.416 1.00 32.54 H new ATOM 0 HB2 PRO A 64 -3.532 -16.029 20.978 1.00 11.45 H new ATOM 0 HB3 PRO A 64 -4.312 -16.816 19.621 1.00 11.45 H new ATOM 0 HG2 PRO A 64 -2.442 -17.988 21.670 1.00 24.40 H new ATOM 0 HG3 PRO A 64 -3.920 -18.665 21.014 1.00 24.40 H new ATOM 0 HD2 PRO A 64 -1.471 -19.452 20.120 1.00 4.33 H new ATOM 0 HD3 PRO A 64 -2.866 -19.423 19.060 1.00 4.33 H new ATOM 886 N CYS A 65 -1.729 -14.490 20.719 1.00 44.33 N ATOM 887 CA CYS A 65 -0.890 -13.575 21.485 1.00 23.23 C ATOM 888 C CYS A 65 0.245 -14.327 22.174 1.00 13.55 C ATOM 889 O CYS A 65 0.061 -14.900 23.247 1.00 72.30 O ATOM 890 CB CYS A 65 -1.729 -12.830 22.524 1.00 42.40 C ATOM 891 SG CYS A 65 -3.124 -13.782 23.167 1.00 35.33 S ATOM 0 H CYS A 65 -2.725 -14.270 20.743 1.00 44.33 H new ATOM 0 HA CYS A 65 -0.456 -12.853 20.793 1.00 23.23 H new ATOM 0 HB2 CYS A 65 -1.086 -12.542 23.355 1.00 42.40 H new ATOM 0 HB3 CYS A 65 -2.106 -11.909 22.078 1.00 42.40 H new ATOM 0 HG CYS A 65 -3.771 -13.068 24.040 1.00 35.33 H new ATOM 897 N ASN A 66 1.418 -14.320 21.549 1.00 13.44 N ATOM 898 CA ASN A 66 2.582 -15.003 22.102 1.00 40.54 C ATOM 899 C ASN A 66 2.805 -14.607 23.558 1.00 11.40 C ATOM 900 O ASN A 66 3.358 -15.376 24.342 1.00 22.45 O ATOM 901 CB ASN A 66 3.829 -14.677 21.276 1.00 32.44 C ATOM 902 CG ASN A 66 3.949 -13.197 20.970 1.00 65.10 C ATOM 903 OD1 ASN A 66 3.178 -12.730 19.995 1.00 73.22 O flip ATOM 904 ND2 ASN A 66 4.727 -12.482 21.603 1.00 63.21 N flip ATOM 0 H ASN A 66 1.588 -13.849 20.660 1.00 13.44 H new ATOM 0 HA ASN A 66 2.396 -16.076 22.061 1.00 40.54 H new ATOM 0 HB2 ASN A 66 4.716 -15.006 21.817 1.00 32.44 H new ATOM 0 HB3 ASN A 66 3.799 -15.237 20.341 1.00 32.44 H new ATOM 0 HD21 ASN A 66 5.301 -12.884 22.345 1.00 63.21 H new ATOM 0 HD22 ASN A 66 4.798 -11.488 21.386 1.00 63.21 H new ATOM 911 N GLU A 67 2.370 -13.401 23.911 1.00 35.23 N ATOM 912 CA GLU A 67 2.522 -12.904 25.273 1.00 1.44 C ATOM 913 C GLU A 67 1.222 -13.057 26.058 1.00 60.44 C ATOM 914 O GLU A 67 0.726 -12.100 26.652 1.00 25.25 O ATOM 915 CB GLU A 67 2.951 -11.435 25.258 1.00 13.15 C ATOM 916 CG GLU A 67 4.347 -11.214 24.702 1.00 23.02 C ATOM 917 CD GLU A 67 4.526 -9.832 24.105 1.00 55.23 C ATOM 918 OE1 GLU A 67 3.644 -8.974 24.321 1.00 34.35 O ATOM 919 OE2 GLU A 67 5.546 -9.607 23.421 1.00 72.43 O ATOM 0 H GLU A 67 1.910 -12.751 23.273 1.00 35.23 H new ATOM 0 HA GLU A 67 3.294 -13.497 25.764 1.00 1.44 H new ATOM 0 HB2 GLU A 67 2.238 -10.863 24.664 1.00 13.15 H new ATOM 0 HB3 GLU A 67 2.907 -11.042 26.274 1.00 13.15 H new ATOM 0 HG2 GLU A 67 5.078 -11.359 25.498 1.00 23.02 H new ATOM 0 HG3 GLU A 67 4.553 -11.965 23.939 1.00 23.02 H new ATOM 926 N ASP A 68 0.675 -14.268 26.053 1.00 62.00 N ATOM 927 CA ASP A 68 -0.567 -14.549 26.764 1.00 41.32 C ATOM 928 C ASP A 68 -1.037 -13.323 27.541 1.00 21.23 C ATOM 929 O ASP A 68 -0.935 -13.276 28.768 1.00 70.34 O ATOM 930 CB ASP A 68 -0.379 -15.731 27.716 1.00 43.21 C ATOM 931 CG ASP A 68 -0.680 -17.061 27.054 1.00 64.02 C ATOM 932 OD1 ASP A 68 -1.751 -17.637 27.339 1.00 64.22 O ATOM 933 OD2 ASP A 68 0.155 -17.526 26.250 1.00 4.51 O ATOM 0 H ASP A 68 1.072 -15.071 25.565 1.00 62.00 H new ATOM 0 HA ASP A 68 -1.329 -14.804 26.027 1.00 41.32 H new ATOM 0 HB2 ASP A 68 0.646 -15.736 28.086 1.00 43.21 H new ATOM 0 HB3 ASP A 68 -1.029 -15.604 28.581 1.00 43.21 H new ATOM 938 N HIS A 69 -1.551 -12.332 26.820 1.00 61.13 N ATOM 939 CA HIS A 69 -2.036 -11.105 27.442 1.00 73.40 C ATOM 940 C HIS A 69 -3.472 -10.812 27.017 1.00 31.24 C ATOM 941 O HIS A 69 -3.797 -10.766 25.831 1.00 71.22 O ATOM 942 CB HIS A 69 -1.132 -9.929 27.072 1.00 14.14 C ATOM 943 CG HIS A 69 -1.084 -9.650 25.602 1.00 64.03 C ATOM 944 ND1 HIS A 69 -0.644 -10.572 24.675 1.00 1.41 N ATOM 945 CD2 HIS A 69 -1.424 -8.545 24.898 1.00 14.24 C ATOM 946 CE1 HIS A 69 -0.715 -10.045 23.466 1.00 44.13 C ATOM 947 NE2 HIS A 69 -1.186 -8.816 23.573 1.00 4.45 N ATOM 0 H HIS A 69 -1.643 -12.354 25.804 1.00 61.13 H new ATOM 0 HA HIS A 69 -2.016 -11.242 28.523 1.00 73.40 H new ATOM 0 HB2 HIS A 69 -1.480 -9.036 27.592 1.00 14.14 H new ATOM 0 HB3 HIS A 69 -0.122 -10.132 27.428 1.00 14.14 H new ATOM 0 HD2 HIS A 69 -1.811 -7.622 25.303 1.00 14.24 H new ATOM 0 HE1 HIS A 69 -0.435 -10.536 22.546 1.00 44.13 H new ATOM 0 HE2 HIS A 69 -1.347 -8.173 22.798 1.00 4.45 H new ATOM 955 N PRO A 70 -4.353 -10.610 28.008 1.00 12.42 N ATOM 956 CA PRO A 70 -5.768 -10.318 27.762 1.00 54.34 C ATOM 957 C PRO A 70 -5.978 -8.933 27.160 1.00 53.53 C ATOM 958 O PRO A 70 -6.406 -8.005 27.848 1.00 54.15 O ATOM 959 CB PRO A 70 -6.395 -10.395 29.156 1.00 22.32 C ATOM 960 CG PRO A 70 -5.275 -10.095 30.092 1.00 41.13 C ATOM 961 CD PRO A 70 -4.036 -10.649 29.446 1.00 65.45 C ATOM 0 HA PRO A 70 -6.207 -11.010 27.044 1.00 54.34 H new ATOM 0 HB2 PRO A 70 -7.206 -9.675 29.266 1.00 22.32 H new ATOM 0 HB3 PRO A 70 -6.817 -11.382 29.347 1.00 22.32 H new ATOM 0 HG2 PRO A 70 -5.182 -9.022 30.258 1.00 41.13 H new ATOM 0 HG3 PRO A 70 -5.446 -10.554 31.065 1.00 41.13 H new ATOM 0 HD2 PRO A 70 -3.158 -10.047 29.680 1.00 65.45 H new ATOM 0 HD3 PRO A 70 -3.826 -11.664 29.784 1.00 65.45 H new ATOM 969 N CYS A 71 -5.675 -8.800 25.873 1.00 11.43 N ATOM 970 CA CYS A 71 -5.830 -7.526 25.179 1.00 75.32 C ATOM 971 C CYS A 71 -6.375 -7.738 23.770 1.00 70.40 C ATOM 972 O CYS A 71 -6.338 -8.849 23.239 1.00 20.13 O ATOM 973 CB CYS A 71 -4.492 -6.789 25.116 1.00 61.44 C ATOM 974 SG CYS A 71 -4.324 -5.458 26.328 1.00 72.14 S ATOM 0 H CYS A 71 -5.321 -9.558 25.289 1.00 11.43 H new ATOM 0 HA CYS A 71 -6.543 -6.920 25.738 1.00 75.32 H new ATOM 0 HB2 CYS A 71 -3.686 -7.507 25.267 1.00 61.44 H new ATOM 0 HB3 CYS A 71 -4.365 -6.374 24.116 1.00 61.44 H new ATOM 0 HG CYS A 71 -3.247 -5.645 27.032 1.00 72.14 H new ATOM 980 N HIS A 72 -6.882 -6.666 23.169 1.00 31.45 N ATOM 981 CA HIS A 72 -7.436 -6.735 21.822 1.00 61.31 C ATOM 982 C HIS A 72 -6.405 -7.280 20.838 1.00 61.10 C ATOM 983 O HIS A 72 -5.225 -7.408 21.166 1.00 0.45 O ATOM 984 CB HIS A 72 -7.908 -5.353 21.370 1.00 11.15 C ATOM 985 CG HIS A 72 -9.163 -4.897 22.049 1.00 20.33 C ATOM 986 ND1 HIS A 72 -9.377 -5.032 23.405 1.00 61.31 N ATOM 987 CD2 HIS A 72 -10.273 -4.304 21.552 1.00 73.00 C ATOM 988 CE1 HIS A 72 -10.565 -4.543 23.712 1.00 72.33 C ATOM 989 NE2 HIS A 72 -11.129 -4.095 22.605 1.00 55.40 N ATOM 0 H HIS A 72 -6.920 -5.739 23.594 1.00 31.45 H new ATOM 0 HA HIS A 72 -8.289 -7.413 21.841 1.00 61.31 H new ATOM 0 HB2 HIS A 72 -7.117 -4.628 21.561 1.00 11.15 H new ATOM 0 HB3 HIS A 72 -8.073 -5.369 20.293 1.00 11.15 H new ATOM 0 HD2 HIS A 72 -10.452 -4.044 20.519 1.00 73.00 H new ATOM 0 HE1 HIS A 72 -11.001 -4.514 24.700 1.00 72.33 H new ATOM 0 HE2 HIS A 72 -12.051 -3.664 22.542 1.00 55.40 H new ATOM 997 N HIS A 73 -6.858 -7.601 19.630 1.00 12.22 N ATOM 998 CA HIS A 73 -5.975 -8.132 18.598 1.00 21.34 C ATOM 999 C HIS A 73 -4.950 -7.087 18.169 1.00 53.41 C ATOM 1000 O HIS A 73 -4.939 -6.651 17.017 1.00 52.11 O ATOM 1001 CB HIS A 73 -6.788 -8.593 17.389 1.00 74.14 C ATOM 1002 CG HIS A 73 -8.134 -7.942 17.288 1.00 23.55 C ATOM 1003 ND1 HIS A 73 -9.315 -8.618 17.512 1.00 1.14 N ATOM 1004 CD2 HIS A 73 -8.481 -6.669 16.988 1.00 33.20 C ATOM 1005 CE1 HIS A 73 -10.331 -7.789 17.352 1.00 2.33 C ATOM 1006 NE2 HIS A 73 -9.852 -6.600 17.034 1.00 1.42 N ATOM 0 H HIS A 73 -7.832 -7.503 19.342 1.00 12.22 H new ATOM 0 HA HIS A 73 -5.443 -8.987 19.015 1.00 21.34 H new ATOM 0 HB2 HIS A 73 -6.223 -8.384 16.481 1.00 74.14 H new ATOM 0 HB3 HIS A 73 -6.919 -9.674 17.441 1.00 74.14 H new ATOM 0 HD2 HIS A 73 -7.806 -5.859 16.756 1.00 33.20 H new ATOM 0 HE1 HIS A 73 -11.375 -8.041 17.462 1.00 2.33 H new ATOM 0 HE2 HIS A 73 -10.410 -5.766 16.852 1.00 1.42 H new ATOM 1014 N CYS A 74 -4.093 -6.688 19.102 1.00 64.04 N ATOM 1015 CA CYS A 74 -3.065 -5.692 18.820 1.00 41.12 C ATOM 1016 C CYS A 74 -2.084 -5.579 19.983 1.00 54.55 C ATOM 1017 O CYS A 74 -2.230 -6.258 21.000 1.00 44.45 O ATOM 1018 CB CYS A 74 -3.706 -4.331 18.543 1.00 33.41 C ATOM 1019 SG CYS A 74 -5.511 -4.331 18.647 1.00 74.41 S ATOM 0 H CYS A 74 -4.089 -7.039 20.060 1.00 64.04 H new ATOM 0 HA CYS A 74 -2.516 -6.013 17.935 1.00 41.12 H new ATOM 0 HB2 CYS A 74 -3.312 -3.604 19.253 1.00 33.41 H new ATOM 0 HB3 CYS A 74 -3.410 -3.998 17.548 1.00 33.41 H new ATOM 0 HG CYS A 74 -6.004 -4.970 17.628 1.00 74.41 H new ATOM 1025 N HIS A 75 -1.084 -4.717 19.825 1.00 54.03 N ATOM 1026 CA HIS A 75 -0.078 -4.515 20.861 1.00 33.34 C ATOM 1027 C HIS A 75 -0.702 -4.615 22.250 1.00 22.03 C ATOM 1028 O HIS A 75 -1.921 -4.546 22.399 1.00 12.12 O ATOM 1029 CB HIS A 75 0.596 -3.154 20.689 1.00 63.10 C ATOM 1030 CG HIS A 75 -0.053 -2.060 21.479 1.00 43.41 C ATOM 1031 ND1 HIS A 75 -0.828 -1.075 20.904 1.00 12.23 N ATOM 1032 CD2 HIS A 75 -0.040 -1.799 22.807 1.00 4.01 C ATOM 1033 CE1 HIS A 75 -1.262 -0.255 21.845 1.00 55.24 C ATOM 1034 NE2 HIS A 75 -0.798 -0.672 23.009 1.00 74.44 N ATOM 0 H HIS A 75 -0.949 -4.148 18.990 1.00 54.03 H new ATOM 0 HA HIS A 75 0.673 -5.299 20.761 1.00 33.34 H new ATOM 0 HB2 HIS A 75 1.641 -3.235 20.987 1.00 63.10 H new ATOM 0 HB3 HIS A 75 0.586 -2.884 19.633 1.00 63.10 H new ATOM 0 HD1 HIS A 75 -1.034 -0.992 19.908 1.00 12.23 H new ATOM 0 HD2 HIS A 75 0.472 -2.371 23.567 1.00 4.01 H new ATOM 0 HE1 HIS A 75 -1.890 0.610 21.689 1.00 55.24 H new ATOM 1042 N GLU A 76 0.144 -4.779 23.263 1.00 12.40 N ATOM 1043 CA GLU A 76 -0.326 -4.889 24.639 1.00 22.41 C ATOM 1044 C GLU A 76 -0.998 -3.596 25.090 1.00 35.12 C ATOM 1045 O GLU A 76 -0.346 -2.699 25.623 1.00 33.12 O ATOM 1046 CB GLU A 76 0.839 -5.224 25.573 1.00 32.34 C ATOM 1047 CG GLU A 76 0.467 -6.186 26.689 1.00 14.04 C ATOM 1048 CD GLU A 76 -0.669 -5.669 27.550 1.00 14.24 C ATOM 1049 OE1 GLU A 76 -1.693 -6.374 27.667 1.00 74.32 O ATOM 1050 OE2 GLU A 76 -0.535 -4.559 28.107 1.00 20.44 O ATOM 0 H GLU A 76 1.157 -4.838 23.157 1.00 12.40 H new ATOM 0 HA GLU A 76 -1.060 -5.693 24.682 1.00 22.41 H new ATOM 0 HB2 GLU A 76 1.650 -5.656 24.987 1.00 32.34 H new ATOM 0 HB3 GLU A 76 1.219 -4.301 26.012 1.00 32.34 H new ATOM 0 HG2 GLU A 76 0.183 -7.145 26.257 1.00 14.04 H new ATOM 0 HG3 GLU A 76 1.341 -6.365 27.316 1.00 14.04 H new ATOM 1057 N GLU A 77 -2.307 -3.509 24.872 1.00 42.15 N ATOM 1058 CA GLU A 77 -3.067 -2.325 25.254 1.00 34.22 C ATOM 1059 C GLU A 77 -3.061 -2.141 26.769 1.00 10.40 C ATOM 1060 O GLU A 77 -2.313 -2.808 27.483 1.00 24.12 O ATOM 1061 CB GLU A 77 -4.508 -2.431 24.748 1.00 24.45 C ATOM 1062 CG GLU A 77 -4.885 -1.347 23.754 1.00 41.34 C ATOM 1063 CD GLU A 77 -4.738 -1.799 22.314 1.00 72.12 C ATOM 1064 OE1 GLU A 77 -5.565 -1.383 21.475 1.00 63.12 O ATOM 1065 OE2 GLU A 77 -3.798 -2.569 22.026 1.00 51.31 O ATOM 0 H GLU A 77 -2.862 -4.244 24.433 1.00 42.15 H new ATOM 0 HA GLU A 77 -2.592 -1.457 24.797 1.00 34.22 H new ATOM 0 HB2 GLU A 77 -4.649 -3.406 24.281 1.00 24.45 H new ATOM 0 HB3 GLU A 77 -5.187 -2.384 25.599 1.00 24.45 H new ATOM 0 HG2 GLU A 77 -5.916 -1.040 23.931 1.00 41.34 H new ATOM 0 HG3 GLU A 77 -4.258 -0.471 23.922 1.00 41.34 H new ATOM 1072 N ASP A 78 -3.899 -1.230 27.252 1.00 75.35 N ATOM 1073 CA ASP A 78 -3.992 -0.957 28.681 1.00 22.21 C ATOM 1074 C ASP A 78 -4.904 -1.968 29.370 1.00 51.35 C ATOM 1075 O ASP A 78 -5.131 -1.892 30.577 1.00 24.33 O ATOM 1076 CB ASP A 78 -4.511 0.462 28.919 1.00 63.25 C ATOM 1077 CG ASP A 78 -4.345 0.905 30.359 1.00 40.43 C ATOM 1078 OD1 ASP A 78 -3.586 0.246 31.100 1.00 61.25 O ATOM 1079 OD2 ASP A 78 -4.974 1.913 30.745 1.00 64.32 O ATOM 0 H ASP A 78 -4.524 -0.668 26.674 1.00 75.35 H new ATOM 0 HA ASP A 78 -2.993 -1.046 29.108 1.00 22.21 H new ATOM 0 HB2 ASP A 78 -3.980 1.154 28.265 1.00 63.25 H new ATOM 0 HB3 ASP A 78 -5.565 0.511 28.646 1.00 63.25 H new ATOM 1084 N ASP A 79 -5.425 -2.911 28.593 1.00 33.22 N ATOM 1085 CA ASP A 79 -6.313 -3.937 29.128 1.00 73.01 C ATOM 1086 C ASP A 79 -5.528 -4.974 29.924 1.00 22.42 C ATOM 1087 O ASP A 79 -4.590 -5.584 29.413 1.00 63.30 O ATOM 1088 CB ASP A 79 -7.080 -4.620 27.994 1.00 1.31 C ATOM 1089 CG ASP A 79 -8.582 -4.538 28.180 1.00 73.11 C ATOM 1090 OD1 ASP A 79 -9.305 -4.497 27.162 1.00 11.20 O ATOM 1091 OD2 ASP A 79 -9.036 -4.517 29.343 1.00 5.52 O ATOM 0 H ASP A 79 -5.248 -2.986 27.591 1.00 33.22 H new ATOM 0 HA ASP A 79 -7.024 -3.453 29.798 1.00 73.01 H new ATOM 0 HB2 ASP A 79 -6.808 -4.157 27.045 1.00 1.31 H new ATOM 0 HB3 ASP A 79 -6.781 -5.666 27.935 1.00 1.31 H new ATOM 1096 N GLY A 80 -5.918 -5.168 31.181 1.00 62.44 N ATOM 1097 CA GLY A 80 -5.239 -6.131 32.028 1.00 62.43 C ATOM 1098 C GLY A 80 -5.231 -5.717 33.486 1.00 72.22 C ATOM 1099 O GLY A 80 -5.652 -4.612 33.826 1.00 14.42 O ATOM 0 H GLY A 80 -6.692 -4.675 31.627 1.00 62.44 H new ATOM 0 HA2 GLY A 80 -5.726 -7.102 31.932 1.00 62.43 H new ATOM 0 HA3 GLY A 80 -4.212 -6.254 31.683 1.00 62.43 H new ATOM 1103 N ASP A 81 -4.753 -6.606 34.349 1.00 30.32 N ATOM 1104 CA ASP A 81 -4.693 -6.328 35.779 1.00 10.43 C ATOM 1105 C ASP A 81 -3.247 -6.209 36.250 1.00 43.04 C ATOM 1106 O ASP A 81 -2.328 -6.078 35.440 1.00 4.35 O ATOM 1107 CB ASP A 81 -5.409 -7.427 36.565 1.00 13.13 C ATOM 1108 CG ASP A 81 -6.386 -6.869 37.582 1.00 22.11 C ATOM 1109 OD1 ASP A 81 -6.511 -7.464 38.673 1.00 33.02 O ATOM 1110 OD2 ASP A 81 -7.024 -5.837 37.287 1.00 21.31 O ATOM 0 H ASP A 81 -4.401 -7.526 34.083 1.00 30.32 H new ATOM 0 HA ASP A 81 -5.195 -5.377 35.960 1.00 10.43 H new ATOM 0 HB2 ASP A 81 -5.943 -8.077 35.871 1.00 13.13 H new ATOM 0 HB3 ASP A 81 -4.670 -8.044 37.076 1.00 13.13 H new ATOM 1115 N THR A 82 -3.051 -6.255 37.564 1.00 52.21 N ATOM 1116 CA THR A 82 -1.718 -6.150 38.142 1.00 23.34 C ATOM 1117 C THR A 82 -0.711 -6.985 37.359 1.00 74.32 C ATOM 1118 O THR A 82 0.199 -6.447 36.727 1.00 75.51 O ATOM 1119 CB THR A 82 -1.707 -6.603 39.615 1.00 40.52 C ATOM 1120 OG1 THR A 82 -2.842 -6.063 40.301 1.00 1.13 O ATOM 1121 CG2 THR A 82 -0.429 -6.156 40.309 1.00 61.43 C ATOM 0 H THR A 82 -3.800 -6.364 38.248 1.00 52.21 H new ATOM 0 HA THR A 82 -1.433 -5.099 38.090 1.00 23.34 H new ATOM 0 HB THR A 82 -1.752 -7.692 39.638 1.00 40.52 H new ATOM 0 HG1 THR A 82 -2.829 -6.356 41.236 1.00 1.13 H new ATOM 0 HG21 THR A 82 -0.444 -6.487 41.347 1.00 61.43 H new ATOM 0 HG22 THR A 82 0.432 -6.591 39.802 1.00 61.43 H new ATOM 0 HG23 THR A 82 -0.358 -5.069 40.276 1.00 61.43 H new ATOM 1129 N HIS A 83 -0.881 -8.303 37.403 1.00 24.04 N ATOM 1130 CA HIS A 83 0.013 -9.213 36.696 1.00 42.13 C ATOM 1131 C HIS A 83 0.319 -8.694 35.294 1.00 54.40 C ATOM 1132 O HIS A 83 1.480 -8.613 34.891 1.00 74.34 O ATOM 1133 CB HIS A 83 -0.607 -10.608 36.611 1.00 11.14 C ATOM 1134 CG HIS A 83 -0.887 -11.220 37.949 1.00 35.51 C ATOM 1135 ND1 HIS A 83 -0.377 -10.720 39.128 1.00 2.11 N ATOM 1136 CD2 HIS A 83 -1.632 -12.298 38.291 1.00 51.12 C ATOM 1137 CE1 HIS A 83 -0.794 -11.464 40.137 1.00 43.11 C ATOM 1138 NE2 HIS A 83 -1.557 -12.428 39.656 1.00 75.12 N ATOM 0 H HIS A 83 -1.629 -8.764 37.921 1.00 24.04 H new ATOM 0 HA HIS A 83 0.947 -9.272 37.255 1.00 42.13 H new ATOM 0 HB2 HIS A 83 -1.537 -10.550 36.045 1.00 11.14 H new ATOM 0 HB3 HIS A 83 0.064 -11.262 36.054 1.00 11.14 H new ATOM 0 HD2 HIS A 83 -2.183 -12.936 37.616 1.00 51.12 H new ATOM 0 HE1 HIS A 83 -0.552 -11.310 41.178 1.00 43.11 H new ATOM 0 HE2 HIS A 83 -2.016 -13.152 40.209 1.00 75.12 H new ATOM 1146 N CYS A 84 -0.729 -8.343 34.557 1.00 74.42 N ATOM 1147 CA CYS A 84 -0.573 -7.833 33.199 1.00 32.32 C ATOM 1148 C CYS A 84 0.431 -6.686 33.162 1.00 61.02 C ATOM 1149 O CYS A 84 1.254 -6.596 32.250 1.00 74.44 O ATOM 1150 CB CYS A 84 -1.921 -7.365 32.650 1.00 55.02 C ATOM 1151 SG CYS A 84 -2.997 -8.707 32.091 1.00 12.33 S ATOM 0 H CYS A 84 -1.696 -8.402 34.877 1.00 74.42 H new ATOM 0 HA CYS A 84 -0.196 -8.642 32.574 1.00 32.32 H new ATOM 0 HB2 CYS A 84 -2.438 -6.797 33.423 1.00 55.02 H new ATOM 0 HB3 CYS A 84 -1.745 -6.684 31.817 1.00 55.02 H new ATOM 0 HG CYS A 84 -3.738 -9.110 33.080 1.00 12.33 H new ATOM 1157 N HIS A 85 0.358 -5.809 34.158 1.00 35.11 N ATOM 1158 CA HIS A 85 1.260 -4.666 34.239 1.00 51.04 C ATOM 1159 C HIS A 85 2.702 -5.125 34.433 1.00 11.31 C ATOM 1160 O HIS A 85 3.636 -4.499 33.930 1.00 73.13 O ATOM 1161 CB HIS A 85 0.847 -3.743 35.386 1.00 72.24 C ATOM 1162 CG HIS A 85 -0.490 -3.098 35.184 1.00 62.32 C ATOM 1163 ND1 HIS A 85 -1.547 -3.734 34.567 1.00 3.11 N ATOM 1164 CD2 HIS A 85 -0.939 -1.867 35.523 1.00 71.32 C ATOM 1165 CE1 HIS A 85 -2.588 -2.921 34.534 1.00 63.21 C ATOM 1166 NE2 HIS A 85 -2.245 -1.782 35.108 1.00 53.01 N ATOM 0 H HIS A 85 -0.317 -5.868 34.921 1.00 35.11 H new ATOM 0 HA HIS A 85 1.195 -4.116 33.300 1.00 51.04 H new ATOM 0 HB2 HIS A 85 0.829 -4.315 36.313 1.00 72.24 H new ATOM 0 HB3 HIS A 85 1.602 -2.966 35.506 1.00 72.24 H new ATOM 0 HD2 HIS A 85 -0.375 -1.095 36.026 1.00 71.32 H new ATOM 0 HE1 HIS A 85 -3.555 -3.149 34.110 1.00 63.21 H new ATOM 0 HE2 HIS A 85 -2.852 -0.971 35.224 1.00 53.01 H new ATOM 1174 N CYS A 86 2.876 -6.219 35.166 1.00 14.21 N ATOM 1175 CA CYS A 86 4.204 -6.760 35.429 1.00 64.35 C ATOM 1176 C CYS A 86 4.777 -7.425 34.181 1.00 51.33 C ATOM 1177 O CYS A 86 5.988 -7.414 33.960 1.00 72.51 O ATOM 1178 CB CYS A 86 4.149 -7.768 36.578 1.00 44.22 C ATOM 1179 SG CYS A 86 4.012 -7.013 38.215 1.00 23.02 S ATOM 0 H CYS A 86 2.114 -6.749 35.589 1.00 14.21 H new ATOM 0 HA CYS A 86 4.856 -5.934 35.711 1.00 64.35 H new ATOM 0 HB2 CYS A 86 3.299 -8.433 36.424 1.00 44.22 H new ATOM 0 HB3 CYS A 86 5.046 -8.386 36.548 1.00 44.22 H new ATOM 0 HG CYS A 86 3.970 -7.945 39.121 1.00 23.02 H new ATOM 1185 N SER A 87 3.898 -8.003 33.368 1.00 30.15 N ATOM 1186 CA SER A 87 4.316 -8.678 32.145 1.00 4.42 C ATOM 1187 C SER A 87 4.637 -7.666 31.049 1.00 12.33 C ATOM 1188 O SER A 87 5.407 -7.951 30.132 1.00 63.03 O ATOM 1189 CB SER A 87 3.224 -9.636 31.667 1.00 52.23 C ATOM 1190 OG SER A 87 2.914 -10.594 32.663 1.00 20.43 O ATOM 0 H SER A 87 2.892 -8.017 33.534 1.00 30.15 H new ATOM 0 HA SER A 87 5.218 -9.249 32.364 1.00 4.42 H new ATOM 0 HB2 SER A 87 2.328 -9.071 31.410 1.00 52.23 H new ATOM 0 HB3 SER A 87 3.553 -10.143 30.760 1.00 52.23 H new ATOM 0 HG SER A 87 2.472 -10.151 33.417 1.00 20.43 H new ATOM 1196 N CYS A 88 4.040 -6.483 31.152 1.00 23.30 N ATOM 1197 CA CYS A 88 4.261 -5.428 30.170 1.00 55.23 C ATOM 1198 C CYS A 88 5.596 -4.732 30.410 1.00 42.32 C ATOM 1199 O CYS A 88 6.314 -4.404 29.466 1.00 62.02 O ATOM 1200 CB CYS A 88 3.123 -4.407 30.223 1.00 32.22 C ATOM 1201 SG CYS A 88 2.451 -3.965 28.604 1.00 74.52 S ATOM 0 H CYS A 88 3.400 -6.231 31.905 1.00 23.30 H new ATOM 0 HA CYS A 88 4.284 -5.886 29.181 1.00 55.23 H new ATOM 0 HB2 CYS A 88 2.319 -4.807 30.841 1.00 32.22 H new ATOM 0 HB3 CYS A 88 3.483 -3.503 30.714 1.00 32.22 H new ATOM 0 HG CYS A 88 1.181 -4.241 28.571 1.00 74.52 H new ATOM 1349 N THR A 99 9.021 0.085 17.632 1.00 61.32 N ATOM 1350 CA THR A 99 9.092 1.153 16.644 1.00 54.54 C ATOM 1351 C THR A 99 8.257 2.355 17.072 1.00 35.42 C ATOM 1352 O THR A 99 8.436 3.462 16.563 1.00 32.43 O ATOM 1353 CB THR A 99 8.609 0.674 15.262 1.00 73.32 C ATOM 1354 OG1 THR A 99 7.773 -0.480 15.408 1.00 0.22 O ATOM 1355 CG2 THR A 99 9.789 0.340 14.362 1.00 41.11 C ATOM 0 HA THR A 99 10.139 1.447 16.573 1.00 54.54 H new ATOM 0 HB THR A 99 8.038 1.480 14.802 1.00 73.32 H new ATOM 0 HG1 THR A 99 7.832 -0.813 16.328 1.00 0.22 H new ATOM 0 HG21 THR A 99 9.423 0.004 13.392 1.00 41.11 H new ATOM 0 HG22 THR A 99 10.408 1.227 14.229 1.00 41.11 H new ATOM 0 HG23 THR A 99 10.383 -0.451 14.819 1.00 41.11 H new ATOM 1363 N HIS A 100 7.343 2.130 18.012 1.00 64.32 N ATOM 1364 CA HIS A 100 6.481 3.195 18.510 1.00 11.21 C ATOM 1365 C HIS A 100 6.309 3.093 20.023 1.00 65.33 C ATOM 1366 O HIS A 100 5.361 2.479 20.510 1.00 51.13 O ATOM 1367 CB HIS A 100 5.115 3.137 17.825 1.00 21.23 C ATOM 1368 CG HIS A 100 4.176 4.217 18.268 1.00 24.51 C ATOM 1369 ND1 HIS A 100 3.793 4.389 19.581 1.00 20.54 N ATOM 1370 CD2 HIS A 100 3.545 5.184 17.563 1.00 15.25 C ATOM 1371 CE1 HIS A 100 2.965 5.414 19.665 1.00 13.23 C ATOM 1372 NE2 HIS A 100 2.798 5.915 18.455 1.00 73.15 N ATOM 0 H HIS A 100 7.181 1.220 18.443 1.00 64.32 H new ATOM 0 HA HIS A 100 6.955 4.149 18.279 1.00 11.21 H new ATOM 0 HB2 HIS A 100 5.255 3.209 16.746 1.00 21.23 H new ATOM 0 HB3 HIS A 100 4.659 2.167 18.023 1.00 21.23 H new ATOM 0 HD1 HIS A 100 4.101 3.814 20.365 1.00 20.54 H new ATOM 0 HD2 HIS A 100 3.615 5.350 16.498 1.00 15.25 H new ATOM 0 HE1 HIS A 100 2.503 5.780 20.570 1.00 13.23 H new ATOM 1380 N GLY A 101 7.235 3.698 20.761 1.00 63.31 N ATOM 1381 CA GLY A 101 7.169 3.662 22.210 1.00 34.32 C ATOM 1382 C GLY A 101 8.541 3.640 22.853 1.00 1.03 C ATOM 1383 O GLY A 101 8.995 2.599 23.326 1.00 61.41 O ATOM 0 H GLY A 101 8.030 4.212 20.381 1.00 63.31 H new ATOM 0 HA2 GLY A 101 6.618 4.532 22.567 1.00 34.32 H new ATOM 0 HA3 GLY A 101 6.610 2.780 22.523 1.00 34.32 H new ATOM 1387 N GLU A 102 9.204 4.792 22.870 1.00 54.53 N ATOM 1388 CA GLU A 102 10.534 4.900 23.458 1.00 73.24 C ATOM 1389 C GLU A 102 10.811 6.328 23.920 1.00 73.44 C ATOM 1390 O GLU A 102 9.973 7.216 23.764 1.00 14.22 O ATOM 1391 CB GLU A 102 11.598 4.463 22.449 1.00 21.20 C ATOM 1392 CG GLU A 102 12.254 3.136 22.793 1.00 71.04 C ATOM 1393 CD GLU A 102 13.736 3.275 23.081 1.00 42.13 C ATOM 1394 OE1 GLU A 102 14.145 3.000 24.228 1.00 22.02 O ATOM 1395 OE2 GLU A 102 14.487 3.659 22.160 1.00 53.13 O ATOM 0 H GLU A 102 8.842 5.664 22.483 1.00 54.53 H new ATOM 0 HA GLU A 102 10.574 4.242 24.326 1.00 73.24 H new ATOM 0 HB2 GLU A 102 11.142 4.388 21.462 1.00 21.20 H new ATOM 0 HB3 GLU A 102 12.367 5.234 22.387 1.00 21.20 H new ATOM 0 HG2 GLU A 102 11.758 2.704 23.662 1.00 71.04 H new ATOM 0 HG3 GLU A 102 12.112 2.440 21.966 1.00 71.04 H new ATOM 1402 N CYS A 103 11.992 6.540 24.489 1.00 45.12 N ATOM 1403 CA CYS A 103 12.382 7.858 24.975 1.00 14.30 C ATOM 1404 C CYS A 103 13.884 7.920 25.237 1.00 73.12 C ATOM 1405 O CYS A 103 14.357 7.524 26.303 1.00 52.32 O ATOM 1406 CB CYS A 103 11.615 8.200 26.255 1.00 64.45 C ATOM 1407 SG CYS A 103 10.824 6.766 27.052 1.00 73.20 S ATOM 0 H CYS A 103 12.697 5.815 24.625 1.00 45.12 H new ATOM 0 HA CYS A 103 12.136 8.589 24.205 1.00 14.30 H new ATOM 0 HB2 CYS A 103 12.301 8.664 26.964 1.00 64.45 H new ATOM 0 HB3 CYS A 103 10.850 8.940 26.021 1.00 64.45 H new ATOM 1412 N THR A 104 14.630 8.419 24.256 1.00 12.33 N ATOM 1413 CA THR A 104 16.078 8.532 24.379 1.00 14.32 C ATOM 1414 C THR A 104 16.578 9.848 23.794 1.00 0.14 C ATOM 1415 O THR A 104 17.780 10.113 23.773 1.00 2.13 O ATOM 1416 CB THR A 104 16.794 7.365 23.675 1.00 61.05 C ATOM 1417 OG1 THR A 104 16.066 6.149 23.878 1.00 23.35 O ATOM 1418 CG2 THR A 104 18.214 7.206 24.198 1.00 53.32 C ATOM 0 H THR A 104 14.255 8.751 23.368 1.00 12.33 H new ATOM 0 HA THR A 104 16.309 8.500 25.444 1.00 14.32 H new ATOM 0 HB THR A 104 16.840 7.586 22.609 1.00 61.05 H new ATOM 0 HG1 THR A 104 15.288 6.130 23.282 1.00 23.35 H new ATOM 0 HG21 THR A 104 18.700 6.375 23.686 1.00 53.32 H new ATOM 0 HG22 THR A 104 18.774 8.123 24.014 1.00 53.32 H new ATOM 0 HG23 THR A 104 18.187 7.006 25.269 1.00 53.32 H new ATOM 1426 N LYS A 105 15.649 10.671 23.320 1.00 34.22 N ATOM 1427 CA LYS A 105 15.994 11.961 22.736 1.00 4.33 C ATOM 1428 C LYS A 105 15.521 13.106 23.627 1.00 62.23 C ATOM 1429 O LYS A 105 14.993 12.881 24.716 1.00 51.41 O ATOM 1430 CB LYS A 105 15.376 12.096 21.343 1.00 60.11 C ATOM 1431 CG LYS A 105 16.318 11.700 20.219 1.00 74.12 C ATOM 1432 CD LYS A 105 16.838 10.284 20.400 1.00 75.33 C ATOM 1433 CE LYS A 105 18.303 10.276 20.808 1.00 34.23 C ATOM 1434 NZ LYS A 105 18.771 8.909 21.167 1.00 61.51 N ATOM 0 H LYS A 105 14.650 10.467 23.329 1.00 34.22 H new ATOM 0 HA LYS A 105 17.079 12.014 22.651 1.00 4.33 H new ATOM 0 HB2 LYS A 105 14.480 11.477 21.290 1.00 60.11 H new ATOM 0 HB3 LYS A 105 15.059 13.128 21.194 1.00 60.11 H new ATOM 0 HG2 LYS A 105 15.799 11.779 19.264 1.00 74.12 H new ATOM 0 HG3 LYS A 105 17.157 12.395 20.184 1.00 74.12 H new ATOM 0 HD2 LYS A 105 16.245 9.772 21.158 1.00 75.33 H new ATOM 0 HD3 LYS A 105 16.715 9.729 19.470 1.00 75.33 H new ATOM 0 HE2 LYS A 105 18.910 10.665 19.990 1.00 34.23 H new ATOM 0 HE3 LYS A 105 18.447 10.944 21.657 1.00 34.23 H new ATOM 0 HZ1 LYS A 105 19.055 8.891 22.167 1.00 61.51 H new ATOM 0 HZ2 LYS A 105 18.001 8.227 21.013 1.00 61.51 H new ATOM 0 HZ3 LYS A 105 19.584 8.653 20.571 1.00 61.51 H new ATOM 1448 N LYS A 106 15.713 14.334 23.156 1.00 34.41 N ATOM 1449 CA LYS A 106 15.303 15.514 23.908 1.00 41.03 C ATOM 1450 C LYS A 106 13.783 15.628 23.956 1.00 32.22 C ATOM 1451 O LYS A 106 13.240 16.686 24.273 1.00 21.22 O ATOM 1452 CB LYS A 106 15.900 16.776 23.280 1.00 32.21 C ATOM 1453 CG LYS A 106 17.412 16.857 23.398 1.00 51.03 C ATOM 1454 CD LYS A 106 17.851 17.005 24.845 1.00 45.54 C ATOM 1455 CE LYS A 106 18.870 15.943 25.230 1.00 53.23 C ATOM 1456 NZ LYS A 106 18.259 14.860 26.049 1.00 15.31 N ATOM 0 H LYS A 106 16.150 14.538 22.257 1.00 34.41 H new ATOM 0 HA LYS A 106 15.674 15.412 24.928 1.00 41.03 H new ATOM 0 HB2 LYS A 106 15.624 16.813 22.226 1.00 32.21 H new ATOM 0 HB3 LYS A 106 15.459 17.652 23.756 1.00 32.21 H new ATOM 0 HG2 LYS A 106 17.860 15.960 22.971 1.00 51.03 H new ATOM 0 HG3 LYS A 106 17.778 17.703 22.817 1.00 51.03 H new ATOM 0 HD2 LYS A 106 18.281 17.995 24.996 1.00 45.54 H new ATOM 0 HD3 LYS A 106 16.982 16.931 25.499 1.00 45.54 H new ATOM 0 HE2 LYS A 106 19.306 15.514 24.328 1.00 53.23 H new ATOM 0 HE3 LYS A 106 19.684 16.406 25.789 1.00 53.23 H new ATOM 0 HZ1 LYS A 106 18.989 14.165 26.305 1.00 15.31 H new ATOM 0 HZ2 LYS A 106 17.850 15.268 26.914 1.00 15.31 H new ATOM 0 HZ3 LYS A 106 17.511 14.390 25.500 1.00 15.31 H new ATOM 1470 N ALA A 107 13.102 14.531 23.641 1.00 35.04 N ATOM 1471 CA ALA A 107 11.644 14.507 23.653 1.00 42.32 C ATOM 1472 C ALA A 107 11.117 13.744 24.863 1.00 30.10 C ATOM 1473 O ALA A 107 11.874 13.148 25.630 1.00 42.15 O ATOM 1474 CB ALA A 107 11.116 13.890 22.366 1.00 2.31 C ATOM 0 H ALA A 107 13.536 13.647 23.374 1.00 35.04 H new ATOM 0 HA ALA A 107 11.289 15.535 23.723 1.00 42.32 H new ATOM 0 HB1 ALA A 107 10.026 13.878 22.388 1.00 2.31 H new ATOM 0 HB2 ALA A 107 11.455 14.479 21.514 1.00 2.31 H new ATOM 0 HB3 ALA A 107 11.488 12.870 22.272 1.00 2.31 H new ATOM 1480 N PRO A 108 9.788 13.761 25.041 1.00 33.04 N ATOM 1481 CA PRO A 108 9.130 13.075 26.157 1.00 32.14 C ATOM 1482 C PRO A 108 9.191 11.557 26.022 1.00 54.33 C ATOM 1483 O PRO A 108 10.073 11.018 25.353 1.00 3.34 O ATOM 1484 CB PRO A 108 7.681 13.562 26.069 1.00 44.10 C ATOM 1485 CG PRO A 108 7.494 13.934 24.639 1.00 55.13 C ATOM 1486 CD PRO A 108 8.824 14.451 24.167 1.00 65.11 C ATOM 0 HA PRO A 108 9.611 13.295 27.110 1.00 32.14 H new ATOM 0 HB2 PRO A 108 6.982 12.782 26.370 1.00 44.10 H new ATOM 0 HB3 PRO A 108 7.509 14.415 26.726 1.00 44.10 H new ATOM 0 HG2 PRO A 108 7.179 13.073 24.050 1.00 55.13 H new ATOM 0 HG3 PRO A 108 6.720 14.694 24.532 1.00 55.13 H new ATOM 0 HD2 PRO A 108 8.996 14.218 23.116 1.00 65.11 H new ATOM 0 HD3 PRO A 108 8.893 15.534 24.269 1.00 65.11 H new ATOM 1494 N CYS A 109 8.247 10.873 26.659 1.00 31.33 N ATOM 1495 CA CYS A 109 8.193 9.417 26.610 1.00 34.31 C ATOM 1496 C CYS A 109 6.849 8.941 26.064 1.00 24.43 C ATOM 1497 O CYS A 109 5.793 9.364 26.533 1.00 75.15 O ATOM 1498 CB CYS A 109 8.426 8.829 28.003 1.00 4.44 C ATOM 1499 SG CYS A 109 9.250 7.204 27.997 1.00 53.42 S ATOM 0 H CYS A 109 7.509 11.304 27.215 1.00 31.33 H new ATOM 0 HA CYS A 109 8.981 9.072 25.941 1.00 34.31 H new ATOM 0 HB2 CYS A 109 9.028 9.527 28.584 1.00 4.44 H new ATOM 0 HB3 CYS A 109 7.466 8.736 28.511 1.00 4.44 H new ATOM 1504 N TRP A 110 6.900 8.059 25.073 1.00 75.33 N ATOM 1505 CA TRP A 110 5.687 7.525 24.463 1.00 31.41 C ATOM 1506 C TRP A 110 5.768 6.008 24.327 1.00 45.22 C ATOM 1507 O TRP A 110 6.856 5.431 24.353 1.00 14.25 O ATOM 1508 CB TRP A 110 5.458 8.161 23.091 1.00 25.20 C ATOM 1509 CG TRP A 110 6.213 7.482 21.988 1.00 5.14 C ATOM 1510 CD1 TRP A 110 5.757 6.484 21.176 1.00 54.23 C ATOM 1511 CD2 TRP A 110 7.559 7.751 21.580 1.00 61.24 C ATOM 1512 NE1 TRP A 110 6.737 6.116 20.286 1.00 2.32 N ATOM 1513 CE2 TRP A 110 7.852 6.879 20.513 1.00 62.03 C ATOM 1514 CE3 TRP A 110 8.544 8.644 22.009 1.00 11.23 C ATOM 1515 CZ2 TRP A 110 9.089 6.876 19.873 1.00 72.41 C ATOM 1516 CZ3 TRP A 110 9.771 8.639 21.373 1.00 12.44 C ATOM 1517 CH2 TRP A 110 10.035 7.761 20.314 1.00 35.33 C ATOM 0 H TRP A 110 7.767 7.698 24.675 1.00 75.33 H new ATOM 0 HA TRP A 110 4.846 7.768 25.113 1.00 31.41 H new ATOM 0 HB2 TRP A 110 4.393 8.137 22.861 1.00 25.20 H new ATOM 0 HB3 TRP A 110 5.752 9.210 23.131 1.00 25.20 H new ATOM 0 HD1 TRP A 110 4.770 6.048 21.226 1.00 54.23 H new ATOM 0 HE1 TRP A 110 6.649 5.393 19.572 1.00 2.32 H new ATOM 0 HE3 TRP A 110 8.350 9.326 22.823 1.00 11.23 H new ATOM 0 HZ2 TRP A 110 9.294 6.199 19.057 1.00 72.41 H new ATOM 0 HZ3 TRP A 110 10.540 9.324 21.698 1.00 12.44 H new ATOM 0 HH2 TRP A 110 11.003 7.783 19.837 1.00 35.33 H new ATOM 1528 N ARG A 111 4.613 5.368 24.181 1.00 52.44 N ATOM 1529 CA ARG A 111 4.555 3.918 24.041 1.00 14.41 C ATOM 1530 C ARG A 111 3.160 3.469 23.614 1.00 65.21 C ATOM 1531 O ARG A 111 2.157 4.067 24.005 1.00 45.32 O ATOM 1532 CB ARG A 111 4.939 3.242 25.358 1.00 12.24 C ATOM 1533 CG ARG A 111 3.969 3.526 26.494 1.00 22.31 C ATOM 1534 CD ARG A 111 4.662 4.214 27.660 1.00 64.43 C ATOM 1535 NE ARG A 111 3.783 4.348 28.818 1.00 75.04 N ATOM 1536 CZ ARG A 111 4.082 5.076 29.887 1.00 11.25 C ATOM 1537 NH1 ARG A 111 5.232 5.733 29.946 1.00 24.40 N ATOM 1538 NH2 ARG A 111 3.229 5.149 30.902 1.00 42.45 N ATOM 0 H ARG A 111 3.704 5.831 24.157 1.00 52.44 H new ATOM 0 HA ARG A 111 5.265 3.623 23.269 1.00 14.41 H new ATOM 0 HB2 ARG A 111 4.996 2.165 25.201 1.00 12.24 H new ATOM 0 HB3 ARG A 111 5.935 3.574 25.650 1.00 12.24 H new ATOM 0 HG2 ARG A 111 3.156 4.154 26.131 1.00 22.31 H new ATOM 0 HG3 ARG A 111 3.522 2.592 26.835 1.00 22.31 H new ATOM 0 HD2 ARG A 111 5.548 3.645 27.942 1.00 64.43 H new ATOM 0 HD3 ARG A 111 5.003 5.201 27.348 1.00 64.43 H new ATOM 0 HE ARG A 111 2.890 3.855 28.805 1.00 75.04 H new ATOM 0 HH11 ARG A 111 5.890 5.680 29.169 1.00 24.40 H new ATOM 0 HH12 ARG A 111 5.459 6.291 30.769 1.00 24.40 H new ATOM 0 HH21 ARG A 111 2.343 4.645 30.861 1.00 42.45 H new ATOM 0 HH22 ARG A 111 3.460 5.709 31.723 1.00 42.45 H new ATOM 1552 N CYS A 112 3.106 2.413 22.810 1.00 73.11 N ATOM 1553 CA CYS A 112 1.835 1.884 22.328 1.00 34.32 C ATOM 1554 C CYS A 112 0.885 1.608 23.490 1.00 63.13 C ATOM 1555 O CYS A 112 1.058 0.639 24.228 1.00 63.22 O ATOM 1556 CB CYS A 112 2.063 0.602 21.525 1.00 3.43 C ATOM 1557 SG CYS A 112 2.944 -0.690 22.432 1.00 4.15 S ATOM 0 H CYS A 112 3.927 1.906 22.478 1.00 73.11 H new ATOM 0 HA CYS A 112 1.380 2.634 21.680 1.00 34.32 H new ATOM 0 HB2 CYS A 112 1.098 0.211 21.203 1.00 3.43 H new ATOM 0 HB3 CYS A 112 2.625 0.846 20.623 1.00 3.43 H new ATOM 0 HG CYS A 112 2.514 -0.730 23.658 1.00 4.15 H new ATOM 1563 N GLU A 113 -0.116 2.468 23.646 1.00 73.03 N ATOM 1564 CA GLU A 113 -1.091 2.317 24.720 1.00 52.54 C ATOM 1565 C GLU A 113 -2.488 2.708 24.245 1.00 71.40 C ATOM 1566 O GLU A 113 -2.643 3.566 23.376 1.00 11.55 O ATOM 1567 CB GLU A 113 -0.692 3.173 25.924 1.00 35.20 C ATOM 1568 CG GLU A 113 0.374 2.534 26.798 1.00 41.33 C ATOM 1569 CD GLU A 113 0.363 3.069 28.217 1.00 73.33 C ATOM 1570 OE1 GLU A 113 -0.678 3.619 28.634 1.00 22.25 O ATOM 1571 OE2 GLU A 113 1.394 2.937 28.909 1.00 15.31 O ATOM 0 H GLU A 113 -0.273 3.276 23.043 1.00 73.03 H new ATOM 0 HA GLU A 113 -1.107 1.269 25.018 1.00 52.54 H new ATOM 0 HB2 GLU A 113 -0.329 4.138 25.569 1.00 35.20 H new ATOM 0 HB3 GLU A 113 -1.577 3.369 26.529 1.00 35.20 H new ATOM 0 HG2 GLU A 113 0.222 1.455 26.819 1.00 41.33 H new ATOM 0 HG3 GLU A 113 1.355 2.709 26.355 1.00 41.33 H new ATOM 1721 N CYS A 123 -0.377 1.224 18.201 1.00 22.00 N ATOM 1722 CA CYS A 123 1.061 1.407 18.034 1.00 33.22 C ATOM 1723 C CYS A 123 1.826 0.187 18.537 1.00 11.15 C ATOM 1724 O CYS A 123 1.237 -0.857 18.813 1.00 24.42 O ATOM 1725 CB CYS A 123 1.526 2.659 18.779 1.00 64.03 C ATOM 1726 SG CYS A 123 0.179 3.674 19.430 1.00 24.14 S ATOM 0 HA CYS A 123 1.266 1.529 16.970 1.00 33.22 H new ATOM 0 HB2 CYS A 123 2.172 2.359 19.604 1.00 64.03 H new ATOM 0 HB3 CYS A 123 2.131 3.266 18.105 1.00 64.03 H new ATOM 0 HG CYS A 123 -0.938 3.014 19.353 1.00 24.14 H new ATOM 1732 N GLY A 124 3.143 0.327 18.653 1.00 1.42 N ATOM 1733 CA GLY A 124 3.968 -0.771 19.121 1.00 32.21 C ATOM 1734 C GLY A 124 4.203 -1.817 18.049 1.00 2.14 C ATOM 1735 O GLY A 124 5.025 -1.622 17.152 1.00 35.35 O ATOM 0 H GLY A 124 3.653 1.182 18.431 1.00 1.42 H new ATOM 0 HA2 GLY A 124 4.928 -0.381 19.461 1.00 32.21 H new ATOM 0 HA3 GLY A 124 3.491 -1.239 19.982 1.00 32.21 H new ATOM 1739 N CYS A 125 3.483 -2.929 18.142 1.00 21.23 N ATOM 1740 CA CYS A 125 3.619 -4.011 17.174 1.00 64.51 C ATOM 1741 C CYS A 125 2.693 -3.795 15.982 1.00 12.51 C ATOM 1742 O CYS A 125 2.707 -4.567 15.025 1.00 74.52 O ATOM 1743 CB CYS A 125 3.314 -5.356 17.835 1.00 70.43 C ATOM 1744 SG CYS A 125 1.554 -5.652 18.127 1.00 24.54 S ATOM 0 H CYS A 125 2.799 -3.105 18.878 1.00 21.23 H new ATOM 0 HA CYS A 125 4.648 -4.016 16.815 1.00 64.51 H new ATOM 0 HB2 CYS A 125 3.707 -6.155 17.206 1.00 70.43 H new ATOM 0 HB3 CYS A 125 3.843 -5.410 18.786 1.00 70.43 H new ATOM 0 HG CYS A 125 1.397 -6.815 18.687 1.00 24.54 H new ATOM 1750 N GLU A 126 1.888 -2.739 16.049 1.00 12.33 N ATOM 1751 CA GLU A 126 0.953 -2.422 14.976 1.00 34.42 C ATOM 1752 C GLU A 126 1.264 -1.058 14.368 1.00 51.02 C ATOM 1753 O GLU A 126 0.361 -0.333 13.949 1.00 50.25 O ATOM 1754 CB GLU A 126 -0.485 -2.444 15.500 1.00 50.53 C ATOM 1755 CG GLU A 126 -1.442 -3.229 14.619 1.00 50.02 C ATOM 1756 CD GLU A 126 -0.955 -4.637 14.339 1.00 22.41 C ATOM 1757 OE1 GLU A 126 -0.796 -5.412 15.306 1.00 62.45 O ATOM 1758 OE2 GLU A 126 -0.732 -4.965 13.155 1.00 53.42 O ATOM 0 H GLU A 126 1.865 -2.089 16.835 1.00 12.33 H new ATOM 0 HA GLU A 126 1.061 -3.179 14.199 1.00 34.42 H new ATOM 0 HB2 GLU A 126 -0.491 -2.874 16.502 1.00 50.53 H new ATOM 0 HB3 GLU A 126 -0.845 -1.419 15.591 1.00 50.53 H new ATOM 0 HG2 GLU A 126 -2.419 -3.275 15.101 1.00 50.02 H new ATOM 0 HG3 GLU A 126 -1.577 -2.701 13.675 1.00 50.02 H new ATOM 1765 N CYS A 127 2.547 -0.715 14.324 1.00 75.42 N ATOM 1766 CA CYS A 127 2.978 0.562 13.768 1.00 0.42 C ATOM 1767 C CYS A 127 3.852 0.352 12.536 1.00 2.22 C ATOM 1768 O CYS A 127 4.670 -0.567 12.492 1.00 13.02 O ATOM 1769 CB CYS A 127 3.743 1.367 14.820 1.00 51.21 C ATOM 1770 SG CYS A 127 3.181 3.077 14.994 1.00 71.11 S ATOM 0 H CYS A 127 3.306 -1.304 14.667 1.00 75.42 H new ATOM 0 HA CYS A 127 2.090 1.119 13.470 1.00 0.42 H new ATOM 0 HB2 CYS A 127 3.651 0.866 15.783 1.00 51.21 H new ATOM 0 HB3 CYS A 127 4.802 1.368 14.562 1.00 51.21 H new ATOM 0 HG CYS A 127 2.240 3.136 15.889 1.00 71.11 H new ATOM 1776 N SER A 128 3.673 1.209 11.536 1.00 14.53 N ATOM 1777 CA SER A 128 4.441 1.115 10.301 1.00 61.53 C ATOM 1778 C SER A 128 5.550 2.162 10.269 1.00 61.22 C ATOM 1779 O SER A 128 5.751 2.901 11.233 1.00 74.12 O ATOM 1780 CB SER A 128 3.523 1.290 9.090 1.00 41.35 C ATOM 1781 OG SER A 128 3.826 0.345 8.078 1.00 4.13 O ATOM 0 H SER A 128 3.002 1.977 11.557 1.00 14.53 H new ATOM 0 HA SER A 128 4.898 0.126 10.261 1.00 61.53 H new ATOM 0 HB2 SER A 128 2.484 1.176 9.398 1.00 41.35 H new ATOM 0 HB3 SER A 128 3.629 2.299 8.693 1.00 41.35 H new ATOM 0 HG SER A 128 3.224 0.477 7.316 1.00 4.13 H new ATOM 1787 N LYS A 129 6.269 2.219 9.153 1.00 52.43 N ATOM 1788 CA LYS A 129 7.357 3.176 8.992 1.00 65.23 C ATOM 1789 C LYS A 129 7.087 4.116 7.822 1.00 51.24 C ATOM 1790 O LYS A 129 7.904 4.237 6.907 1.00 14.14 O ATOM 1791 CB LYS A 129 8.682 2.440 8.773 1.00 13.41 C ATOM 1792 CG LYS A 129 9.892 3.357 8.765 1.00 45.41 C ATOM 1793 CD LYS A 129 10.594 3.342 7.417 1.00 3.23 C ATOM 1794 CE LYS A 129 11.184 4.703 7.081 1.00 52.35 C ATOM 1795 NZ LYS A 129 11.378 4.876 5.614 1.00 11.32 N ATOM 0 H LYS A 129 6.118 1.613 8.346 1.00 52.43 H new ATOM 0 HA LYS A 129 7.423 3.770 9.904 1.00 65.23 H new ATOM 0 HB2 LYS A 129 8.807 1.694 9.557 1.00 13.41 H new ATOM 0 HB3 LYS A 129 8.637 1.903 7.826 1.00 13.41 H new ATOM 0 HG2 LYS A 129 9.580 4.374 9.003 1.00 45.41 H new ATOM 0 HG3 LYS A 129 10.590 3.047 9.543 1.00 45.41 H new ATOM 0 HD2 LYS A 129 11.386 2.593 7.426 1.00 3.23 H new ATOM 0 HD3 LYS A 129 9.887 3.049 6.641 1.00 3.23 H new ATOM 0 HE2 LYS A 129 10.526 5.487 7.455 1.00 52.35 H new ATOM 0 HE3 LYS A 129 12.141 4.820 7.590 1.00 52.35 H new ATOM 0 HZ1 LYS A 129 11.782 5.816 5.426 1.00 11.32 H new ATOM 0 HZ2 LYS A 129 12.026 4.144 5.261 1.00 11.32 H new ATOM 0 HZ3 LYS A 129 10.462 4.790 5.130 1.00 11.32 H new ATOM 1809 N LEU A 130 5.937 4.781 7.857 1.00 44.15 N ATOM 1810 CA LEU A 130 5.560 5.713 6.799 1.00 31.42 C ATOM 1811 C LEU A 130 5.929 7.144 7.177 1.00 34.31 C ATOM 1812 O LEU A 130 6.167 7.462 8.342 1.00 0.32 O ATOM 1813 CB LEU A 130 4.059 5.617 6.520 1.00 11.34 C ATOM 1814 CG LEU A 130 3.621 4.495 5.579 1.00 21.42 C ATOM 1815 CD1 LEU A 130 4.543 4.420 4.372 1.00 52.32 C ATOM 1816 CD2 LEU A 130 3.594 3.162 6.314 1.00 12.54 C ATOM 0 H LEU A 130 5.250 4.692 8.606 1.00 44.15 H new ATOM 0 HA LEU A 130 6.109 5.443 5.897 1.00 31.42 H new ATOM 0 HB2 LEU A 130 3.541 5.490 7.470 1.00 11.34 H new ATOM 0 HB3 LEU A 130 3.727 6.566 6.100 1.00 11.34 H new ATOM 0 HG LEU A 130 2.613 4.715 5.228 1.00 21.42 H new ATOM 0 HD11 LEU A 130 4.216 3.616 3.713 1.00 52.32 H new ATOM 0 HD12 LEU A 130 4.513 5.366 3.832 1.00 52.32 H new ATOM 0 HD13 LEU A 130 5.562 4.224 4.704 1.00 52.32 H new ATOM 0 HD21 LEU A 130 3.280 2.375 5.629 1.00 12.54 H new ATOM 0 HD22 LEU A 130 4.590 2.936 6.694 1.00 12.54 H new ATOM 0 HD23 LEU A 130 2.892 3.220 7.146 1.00 12.54 H new ATOM 1828 N PRO A 131 5.975 8.029 6.170 1.00 20.43 N ATOM 1829 CA PRO A 131 6.311 9.441 6.373 1.00 40.14 C ATOM 1830 C PRO A 131 5.215 10.197 7.116 1.00 22.24 C ATOM 1831 O PRO A 131 4.037 10.103 6.770 1.00 22.12 O ATOM 1832 CB PRO A 131 6.458 9.978 4.947 1.00 41.51 C ATOM 1833 CG PRO A 131 5.617 9.075 4.113 1.00 63.22 C ATOM 1834 CD PRO A 131 5.702 7.719 4.757 1.00 64.42 C ATOM 0 HA PRO A 131 7.205 9.564 6.984 1.00 40.14 H new ATOM 0 HB2 PRO A 131 6.119 11.012 4.876 1.00 41.51 H new ATOM 0 HB3 PRO A 131 7.499 9.961 4.623 1.00 41.51 H new ATOM 0 HG2 PRO A 131 4.586 9.426 4.076 1.00 63.22 H new ATOM 0 HG3 PRO A 131 5.979 9.043 3.086 1.00 63.22 H new ATOM 0 HD2 PRO A 131 4.774 7.160 4.640 1.00 64.42 H new ATOM 0 HD3 PRO A 131 6.496 7.114 4.318 1.00 64.42 H new ATOM 1842 N CYS A 132 5.610 10.947 8.140 1.00 61.31 N ATOM 1843 CA CYS A 132 4.662 11.719 8.933 1.00 11.22 C ATOM 1844 C CYS A 132 5.206 13.115 9.224 1.00 51.02 C ATOM 1845 O CYS A 132 6.216 13.529 8.657 1.00 60.04 O ATOM 1846 CB CYS A 132 4.355 10.996 10.246 1.00 10.11 C ATOM 1847 SG CYS A 132 5.138 9.358 10.393 1.00 21.13 S ATOM 0 H CYS A 132 6.581 11.036 8.440 1.00 61.31 H new ATOM 0 HA CYS A 132 3.742 11.819 8.357 1.00 11.22 H new ATOM 0 HB2 CYS A 132 4.683 11.620 11.077 1.00 10.11 H new ATOM 0 HB3 CYS A 132 3.275 10.881 10.341 1.00 10.11 H new ATOM 0 HG CYS A 132 6.431 9.493 10.382 1.00 21.13 H new ATOM 1852 N ASN A 133 4.528 13.835 10.112 1.00 42.22 N ATOM 1853 CA ASN A 133 4.943 15.185 10.478 1.00 71.41 C ATOM 1854 C ASN A 133 5.375 15.243 11.940 1.00 40.01 C ATOM 1855 O ASN A 133 6.307 14.552 12.350 1.00 24.24 O ATOM 1856 CB ASN A 133 3.803 16.175 10.231 1.00 4.43 C ATOM 1857 CG ASN A 133 3.357 16.194 8.782 1.00 33.21 C ATOM 1858 OD1 ASN A 133 2.961 15.167 8.230 1.00 41.11 O ATOM 1859 ND2 ASN A 133 3.419 17.365 8.159 1.00 74.21 N ATOM 0 H ASN A 133 3.690 13.507 10.591 1.00 42.22 H new ATOM 0 HA ASN A 133 5.794 15.459 9.855 1.00 71.41 H new ATOM 0 HB2 ASN A 133 2.956 15.915 10.866 1.00 4.43 H new ATOM 0 HB3 ASN A 133 4.124 17.175 10.522 1.00 4.43 H new ATOM 0 HD21 ASN A 133 3.132 17.439 7.183 1.00 74.21 H new ATOM 0 HD22 ASN A 133 3.754 18.190 8.656 1.00 74.21 H new ATOM 2085 N ASP A 149 2.978 12.212 13.437 1.00 41.20 N ATOM 2086 CA ASP A 149 4.434 12.143 13.493 1.00 13.45 C ATOM 2087 C ASP A 149 4.916 10.705 13.337 1.00 22.45 C ATOM 2088 O ASP A 149 4.117 9.768 13.327 1.00 12.12 O ATOM 2089 CB ASP A 149 4.942 12.725 14.814 1.00 61.33 C ATOM 2090 CG ASP A 149 4.884 11.721 15.949 1.00 41.24 C ATOM 2091 OD1 ASP A 149 4.211 12.008 16.961 1.00 41.11 O ATOM 2092 OD2 ASP A 149 5.511 10.648 15.824 1.00 12.51 O ATOM 0 HA ASP A 149 4.834 12.732 12.668 1.00 13.45 H new ATOM 0 HB2 ASP A 149 5.969 13.066 14.686 1.00 61.33 H new ATOM 0 HB3 ASP A 149 4.346 13.600 15.075 1.00 61.33 H new ATOM 2097 N CYS A 150 6.229 10.536 13.215 1.00 14.11 N ATOM 2098 CA CYS A 150 6.819 9.212 13.058 1.00 53.31 C ATOM 2099 C CYS A 150 7.159 8.604 14.415 1.00 21.23 C ATOM 2100 O CYS A 150 7.950 9.160 15.177 1.00 3.20 O ATOM 2101 CB CYS A 150 8.078 9.292 12.192 1.00 34.31 C ATOM 2102 SG CYS A 150 7.747 9.574 10.423 1.00 13.21 S ATOM 0 H CYS A 150 6.905 11.300 13.222 1.00 14.11 H new ATOM 0 HA CYS A 150 6.088 8.571 12.566 1.00 53.31 H new ATOM 0 HB2 CYS A 150 8.712 10.097 12.565 1.00 34.31 H new ATOM 0 HB3 CYS A 150 8.641 8.365 12.302 1.00 34.31 H new ATOM 0 HG CYS A 150 6.522 9.235 10.151 1.00 13.21 H new ATOM 2107 N LYS A 151 6.556 7.457 14.711 1.00 2.44 N ATOM 2108 CA LYS A 151 6.795 6.771 15.975 1.00 23.23 C ATOM 2109 C LYS A 151 8.228 6.990 16.451 1.00 71.20 C ATOM 2110 O LYS A 151 8.526 7.977 17.124 1.00 41.21 O ATOM 2111 CB LYS A 151 6.520 5.273 15.826 1.00 74.13 C ATOM 2112 CG LYS A 151 6.888 4.720 14.460 1.00 53.23 C ATOM 2113 CD LYS A 151 5.705 4.757 13.506 1.00 22.12 C ATOM 2114 CE LYS A 151 6.068 5.434 12.194 1.00 43.53 C ATOM 2115 NZ LYS A 151 4.889 5.570 11.295 1.00 60.15 N ATOM 0 H LYS A 151 5.898 6.983 14.092 1.00 2.44 H new ATOM 0 HA LYS A 151 6.116 7.187 16.719 1.00 23.23 H new ATOM 0 HB2 LYS A 151 7.078 4.732 16.590 1.00 74.13 H new ATOM 0 HB3 LYS A 151 5.462 5.086 16.011 1.00 74.13 H new ATOM 0 HG2 LYS A 151 7.712 5.299 14.042 1.00 53.23 H new ATOM 0 HG3 LYS A 151 7.240 3.694 14.565 1.00 53.23 H new ATOM 0 HD2 LYS A 151 5.363 3.741 13.310 1.00 22.12 H new ATOM 0 HD3 LYS A 151 4.876 5.288 13.973 1.00 22.12 H new ATOM 0 HE2 LYS A 151 6.485 6.420 12.398 1.00 43.53 H new ATOM 0 HE3 LYS A 151 6.844 4.857 11.690 1.00 43.53 H new ATOM 0 HZ1 LYS A 151 5.101 6.260 10.547 1.00 60.15 H new ATOM 0 HZ2 LYS A 151 4.672 4.648 10.865 1.00 60.15 H new ATOM 0 HZ3 LYS A 151 4.069 5.897 11.845 1.00 60.15 H new ATOM 2129 N THR A 152 9.113 6.063 16.096 1.00 12.21 N ATOM 2130 CA THR A 152 10.514 6.155 16.486 1.00 10.34 C ATOM 2131 C THR A 152 11.431 6.030 15.275 1.00 4.14 C ATOM 2132 O THR A 152 12.500 5.424 15.355 1.00 61.31 O ATOM 2133 CB THR A 152 10.884 5.067 17.511 1.00 23.15 C ATOM 2134 OG1 THR A 152 9.696 4.480 18.054 1.00 41.11 O ATOM 2135 CG2 THR A 152 11.728 5.647 18.636 1.00 2.52 C ATOM 0 H THR A 152 8.884 5.240 15.539 1.00 12.21 H new ATOM 0 HA THR A 152 10.652 7.135 16.942 1.00 10.34 H new ATOM 0 HB THR A 152 11.466 4.301 16.999 1.00 23.15 H new ATOM 0 HG1 THR A 152 9.051 4.321 17.334 1.00 41.11 H new ATOM 0 HG21 THR A 152 11.977 4.860 19.347 1.00 2.52 H new ATOM 0 HG22 THR A 152 12.646 6.066 18.223 1.00 2.52 H new ATOM 0 HG23 THR A 152 11.167 6.431 19.144 1.00 2.52 H new ATOM 2143 N ILE A 153 11.008 6.607 14.156 1.00 11.30 N ATOM 2144 CA ILE A 153 11.793 6.561 12.929 1.00 43.20 C ATOM 2145 C ILE A 153 13.287 6.609 13.231 1.00 64.55 C ATOM 2146 O ILE A 153 13.784 7.571 13.817 1.00 21.20 O ATOM 2147 CB ILE A 153 11.434 7.725 11.987 1.00 41.24 C ATOM 2148 CG1 ILE A 153 12.539 7.929 10.948 1.00 3.13 C ATOM 2149 CG2 ILE A 153 11.207 9.001 12.784 1.00 74.05 C ATOM 2150 CD1 ILE A 153 12.124 8.807 9.789 1.00 43.43 C ATOM 0 H ILE A 153 10.126 7.112 14.074 1.00 11.30 H new ATOM 0 HA ILE A 153 11.554 5.619 12.436 1.00 43.20 H new ATOM 0 HB ILE A 153 10.510 7.477 11.464 1.00 41.24 H new ATOM 0 HG12 ILE A 153 13.408 8.371 11.436 1.00 3.13 H new ATOM 0 HG13 ILE A 153 12.849 6.957 10.564 1.00 3.13 H new ATOM 0 HG21 ILE A 153 10.954 9.815 12.104 1.00 74.05 H new ATOM 0 HG22 ILE A 153 10.389 8.849 13.488 1.00 74.05 H new ATOM 0 HG23 ILE A 153 12.115 9.255 13.331 1.00 74.05 H new ATOM 0 HD11 ILE A 153 12.956 8.908 9.092 1.00 43.43 H new ATOM 0 HD12 ILE A 153 11.275 8.356 9.276 1.00 43.43 H new ATOM 0 HD13 ILE A 153 11.842 9.792 10.161 1.00 43.43 H new ATOM 2268 N TYR A 162 16.188 9.098 16.462 1.00 24.31 N ATOM 2269 CA TYR A 162 14.926 9.571 15.908 1.00 74.34 C ATOM 2270 C TYR A 162 15.163 10.650 14.856 1.00 73.24 C ATOM 2271 O TYR A 162 15.671 11.729 15.160 1.00 0.41 O ATOM 2272 CB TYR A 162 14.028 10.116 17.020 1.00 23.31 C ATOM 2273 CG TYR A 162 14.040 9.273 18.275 1.00 20.42 C ATOM 2274 CD1 TYR A 162 13.799 9.842 19.520 1.00 64.51 C ATOM 2275 CD2 TYR A 162 14.293 7.908 18.217 1.00 74.33 C ATOM 2276 CE1 TYR A 162 13.810 9.075 20.669 1.00 12.45 C ATOM 2277 CE2 TYR A 162 14.303 7.134 19.361 1.00 64.42 C ATOM 2278 CZ TYR A 162 14.062 7.722 20.585 1.00 73.03 C ATOM 2279 OH TYR A 162 14.073 6.955 21.727 1.00 61.41 O ATOM 0 HA TYR A 162 14.429 8.726 15.431 1.00 74.34 H new ATOM 0 HB2 TYR A 162 14.346 11.128 17.269 1.00 23.31 H new ATOM 0 HB3 TYR A 162 13.006 10.186 16.649 1.00 23.31 H new ATOM 0 HD1 TYR A 162 13.600 10.901 19.590 1.00 64.51 H new ATOM 0 HD2 TYR A 162 14.485 7.444 17.261 1.00 74.33 H new ATOM 0 HE1 TYR A 162 13.622 9.533 21.629 1.00 12.45 H new ATOM 0 HE2 TYR A 162 14.499 6.074 19.297 1.00 64.42 H new ATOM 0 HH TYR A 162 14.265 6.023 21.493 1.00 61.41 H new ATOM 2289 N HIS A 163 14.790 10.350 13.615 1.00 10.04 N ATOM 2290 CA HIS A 163 14.960 11.294 12.517 1.00 43.14 C ATOM 2291 C HIS A 163 13.862 12.353 12.535 1.00 71.11 C ATOM 2292 O HIS A 163 14.124 13.529 12.788 1.00 71.33 O ATOM 2293 CB HIS A 163 14.952 10.557 11.177 1.00 10.01 C ATOM 2294 CG HIS A 163 16.096 10.925 10.284 1.00 41.55 C ATOM 2295 ND1 HIS A 163 17.331 11.309 10.762 1.00 63.02 N ATOM 2296 CD2 HIS A 163 16.188 10.966 8.934 1.00 72.13 C ATOM 2297 CE1 HIS A 163 18.133 11.571 9.745 1.00 73.02 C ATOM 2298 NE2 HIS A 163 17.463 11.370 8.624 1.00 2.01 N ATOM 0 H HIS A 163 14.368 9.461 13.346 1.00 10.04 H new ATOM 0 HA HIS A 163 15.922 11.791 12.644 1.00 43.14 H new ATOM 0 HB2 HIS A 163 14.977 9.483 11.362 1.00 10.01 H new ATOM 0 HB3 HIS A 163 14.016 10.769 10.661 1.00 10.01 H new ATOM 0 HD2 HIS A 163 15.404 10.726 8.231 1.00 72.13 H new ATOM 0 HE1 HIS A 163 19.161 11.894 9.818 1.00 73.02 H new ATOM 0 HE2 HIS A 163 17.833 11.495 7.682 1.00 2.01 H new ATOM 2306 N SER A 164 12.632 11.928 12.265 1.00 71.55 N ATOM 2307 CA SER A 164 11.495 12.840 12.245 1.00 35.24 C ATOM 2308 C SER A 164 11.035 13.165 13.663 1.00 5.55 C ATOM 2309 O SER A 164 11.845 13.241 14.588 1.00 31.11 O ATOM 2310 CB SER A 164 10.338 12.231 11.450 1.00 23.52 C ATOM 2311 OG SER A 164 9.571 13.237 10.813 1.00 11.34 O ATOM 0 H SER A 164 12.398 10.957 12.057 1.00 71.55 H new ATOM 0 HA SER A 164 11.812 13.764 11.762 1.00 35.24 H new ATOM 0 HB2 SER A 164 10.730 11.541 10.703 1.00 23.52 H new ATOM 0 HB3 SER A 164 9.700 11.651 12.117 1.00 23.52 H new ATOM 0 HG SER A 164 8.839 12.822 10.310 1.00 11.34 H new ATOM 2317 N TYR A 165 9.731 13.358 13.827 1.00 63.34 N ATOM 2318 CA TYR A 165 9.163 13.678 15.131 1.00 62.23 C ATOM 2319 C TYR A 165 8.593 12.430 15.798 1.00 64.30 C ATOM 2320 O TYR A 165 7.721 11.761 15.245 1.00 14.31 O ATOM 2321 CB TYR A 165 8.070 14.738 14.988 1.00 75.43 C ATOM 2322 CG TYR A 165 8.435 16.071 15.599 1.00 1.31 C ATOM 2323 CD1 TYR A 165 7.822 16.514 16.765 1.00 43.30 C ATOM 2324 CD2 TYR A 165 9.392 16.889 15.011 1.00 61.31 C ATOM 2325 CE1 TYR A 165 8.152 17.732 17.327 1.00 45.30 C ATOM 2326 CE2 TYR A 165 9.730 18.108 15.567 1.00 74.53 C ATOM 2327 CZ TYR A 165 9.107 18.525 16.724 1.00 11.05 C ATOM 2328 OH TYR A 165 9.439 19.739 17.280 1.00 3.14 O ATOM 0 H TYR A 165 9.047 13.298 13.073 1.00 63.34 H new ATOM 0 HA TYR A 165 9.961 14.072 15.760 1.00 62.23 H new ATOM 0 HB2 TYR A 165 7.851 14.881 13.930 1.00 75.43 H new ATOM 0 HB3 TYR A 165 7.157 14.371 15.456 1.00 75.43 H new ATOM 0 HD1 TYR A 165 7.075 15.895 17.240 1.00 43.30 H new ATOM 0 HD2 TYR A 165 9.880 16.566 14.103 1.00 61.31 H new ATOM 0 HE1 TYR A 165 7.665 18.062 18.233 1.00 45.30 H new ATOM 0 HE2 TYR A 165 10.478 18.730 15.098 1.00 74.53 H new ATOM 0 HH TYR A 165 10.128 20.172 16.733 1.00 3.14 H new ATOM 2338 N GLU A 166 9.094 12.123 16.991 1.00 42.33 N ATOM 2339 CA GLU A 166 8.635 10.956 17.734 1.00 65.41 C ATOM 2340 C GLU A 166 7.329 11.254 18.464 1.00 41.11 C ATOM 2341 O GLU A 166 6.752 12.330 18.309 1.00 72.42 O ATOM 2342 CB GLU A 166 9.702 10.510 18.736 1.00 3.03 C ATOM 2343 CG GLU A 166 10.317 11.657 19.521 1.00 31.21 C ATOM 2344 CD GLU A 166 11.601 12.169 18.897 1.00 34.32 C ATOM 2345 OE1 GLU A 166 12.372 12.850 19.604 1.00 3.51 O ATOM 2346 OE2 GLU A 166 11.834 11.888 17.703 1.00 54.30 O ATOM 0 H GLU A 166 9.817 12.666 17.463 1.00 42.33 H new ATOM 0 HA GLU A 166 8.457 10.151 17.021 1.00 65.41 H new ATOM 0 HB2 GLU A 166 9.259 9.800 19.434 1.00 3.03 H new ATOM 0 HB3 GLU A 166 10.492 9.982 18.202 1.00 3.03 H new ATOM 0 HG2 GLU A 166 9.598 12.474 19.586 1.00 31.21 H new ATOM 0 HG3 GLU A 166 10.519 11.328 20.540 1.00 31.21 H new ATOM 2353 N GLU A 167 6.870 10.293 19.259 1.00 14.25 N ATOM 2354 CA GLU A 167 5.631 10.453 20.012 1.00 31.31 C ATOM 2355 C GLU A 167 4.418 10.342 19.093 1.00 33.31 C ATOM 2356 O GLU A 167 3.436 11.067 19.253 1.00 11.11 O ATOM 2357 CB GLU A 167 5.616 11.802 20.733 1.00 4.22 C ATOM 2358 CG GLU A 167 5.618 11.683 22.248 1.00 74.11 C ATOM 2359 CD GLU A 167 6.974 11.291 22.801 1.00 0.32 C ATOM 2360 OE1 GLU A 167 7.979 11.457 22.078 1.00 20.54 O ATOM 2361 OE2 GLU A 167 7.031 10.820 23.956 1.00 73.41 O ATOM 0 H GLU A 167 7.336 9.397 19.398 1.00 14.25 H new ATOM 0 HA GLU A 167 5.580 9.654 20.751 1.00 31.31 H new ATOM 0 HB2 GLU A 167 6.486 12.381 20.421 1.00 4.22 H new ATOM 0 HB3 GLU A 167 4.733 12.361 20.422 1.00 4.22 H new ATOM 0 HG2 GLU A 167 5.314 12.635 22.684 1.00 74.11 H new ATOM 0 HG3 GLU A 167 4.878 10.942 22.551 1.00 74.11 H new ATOM 2368 N ASP A 168 4.494 9.429 18.131 1.00 51.45 N ATOM 2369 CA ASP A 168 3.403 9.222 17.185 1.00 13.15 C ATOM 2370 C ASP A 168 2.137 8.769 17.907 1.00 3.33 C ATOM 2371 O ASP A 168 2.186 8.351 19.063 1.00 32.31 O ATOM 2372 CB ASP A 168 3.802 8.188 16.132 1.00 73.41 C ATOM 2373 CG ASP A 168 2.651 7.821 15.215 1.00 11.25 C ATOM 2374 OD1 ASP A 168 2.378 6.612 15.060 1.00 52.44 O ATOM 2375 OD2 ASP A 168 2.023 8.743 14.655 1.00 51.22 O ATOM 0 H ASP A 168 5.299 8.820 17.985 1.00 51.45 H new ATOM 0 HA ASP A 168 3.198 10.172 16.691 1.00 13.15 H new ATOM 0 HB2 ASP A 168 4.626 8.580 15.536 1.00 73.41 H new ATOM 0 HB3 ASP A 168 4.167 7.289 16.629 1.00 73.41 H new ATOM 2380 N GLY A 169 1.004 8.857 17.217 1.00 43.51 N ATOM 2381 CA GLY A 169 -0.258 8.455 17.808 1.00 31.45 C ATOM 2382 C GLY A 169 -1.360 9.467 17.568 1.00 12.25 C ATOM 2383 O GLY A 169 -1.684 10.264 18.450 1.00 74.44 O ATOM 0 H GLY A 169 0.938 9.200 16.259 1.00 43.51 H new ATOM 0 HA2 GLY A 169 -0.558 7.492 17.396 1.00 31.45 H new ATOM 0 HA3 GLY A 169 -0.125 8.315 18.881 1.00 31.45 H new