USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 649 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 59 SER OG : rot 93:sc= -0.404 USER MOD Set 1.2: A 97 THR OG1 : rot 100:sc= 0.739 USER MOD Set 2.1: A 16 ASN : amide:sc= -1.62! K(o=0.97!,f=2.7) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= 1.35 USER MOD Set 2.3: A 79 TYR OH : rot 142:sc= 1.24 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 18 ASN : amide:sc= 0.239 K(o=0.24,f=-4.5!) USER MOD Single : A 19 THR OG1 : rot 31:sc= 0.663 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 29 TYR OH : rot -141:sc= 1.1 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 77:sc= 0.0239 USER MOD Single : A 38 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.74) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= 0.899 (180deg=0.111) USER MOD Single : A 42 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.4!) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 0.342 (180deg=0.197) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc=-0.00961 (180deg=-0.0832) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.34) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0621) USER MOD Single : A 56 SER OG : rot 130:sc= 0 USER MOD Single : A 61 THR OG1 : rot -170:sc= 0.393 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -102:sc= -1.32 (180deg=-1.77) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0449) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0.736 (180deg=0.67) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 87:sc= 0.0847 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -13.908 -0.425 -0.668 1.00 21.21 N ATOM 171 CA ASP A 11 -13.123 0.179 -1.765 1.00 52.01 C ATOM 172 C ASP A 11 -11.679 0.418 -1.295 1.00 64.41 C ATOM 173 O ASP A 11 -11.458 1.001 -0.225 1.00 21.45 O ATOM 174 CB ASP A 11 -13.757 1.514 -2.269 1.00 24.23 C ATOM 175 CG ASP A 11 -13.777 2.652 -1.222 1.00 21.35 C ATOM 176 OD1 ASP A 11 -14.499 2.531 -0.208 1.00 70.45 O ATOM 177 OD2 ASP A 11 -13.064 3.659 -1.401 1.00 45.23 O ATOM 0 HA ASP A 11 -13.126 -0.517 -2.604 1.00 52.01 H new ATOM 0 HB2 ASP A 11 -13.206 1.854 -3.146 1.00 24.23 H new ATOM 0 HB3 ASP A 11 -14.779 1.317 -2.591 1.00 24.23 H new ATOM 182 N ILE A 12 -10.712 -0.078 -2.075 1.00 64.23 N ATOM 183 CA ILE A 12 -9.302 -0.022 -1.706 1.00 63.10 C ATOM 184 C ILE A 12 -8.769 1.407 -1.943 1.00 70.22 C ATOM 185 O ILE A 12 -8.473 1.795 -3.081 1.00 40.42 O ATOM 186 CB ILE A 12 -8.475 -1.087 -2.526 1.00 2.42 C ATOM 187 CG1 ILE A 12 -9.115 -2.513 -2.389 1.00 60.25 C ATOM 188 CG2 ILE A 12 -6.995 -1.097 -2.091 1.00 40.44 C ATOM 189 CD1 ILE A 12 -8.464 -3.596 -3.240 1.00 51.44 C ATOM 0 H ILE A 12 -10.888 -0.526 -2.974 1.00 64.23 H new ATOM 0 HA ILE A 12 -9.191 -0.265 -0.649 1.00 63.10 H new ATOM 0 HB ILE A 12 -8.508 -0.802 -3.578 1.00 2.42 H new ATOM 0 HG12 ILE A 12 -9.068 -2.817 -1.343 1.00 60.25 H new ATOM 0 HG13 ILE A 12 -10.170 -2.448 -2.655 1.00 60.25 H new ATOM 0 HG21 ILE A 12 -6.450 -1.840 -2.673 1.00 40.44 H new ATOM 0 HG22 ILE A 12 -6.559 -0.112 -2.261 1.00 40.44 H new ATOM 0 HG23 ILE A 12 -6.929 -1.346 -1.032 1.00 40.44 H new ATOM 0 HD11 ILE A 12 -8.976 -4.544 -3.076 1.00 51.44 H new ATOM 0 HD12 ILE A 12 -8.534 -3.323 -4.293 1.00 51.44 H new ATOM 0 HD13 ILE A 12 -7.415 -3.697 -2.961 1.00 51.44 H new ATOM 201 N GLN A 13 -8.674 2.187 -0.856 1.00 75.45 N ATOM 202 CA GLN A 13 -8.090 3.529 -0.882 1.00 22.03 C ATOM 203 C GLN A 13 -6.605 3.412 -0.541 1.00 73.44 C ATOM 204 O GLN A 13 -6.243 3.052 0.584 1.00 74.21 O ATOM 205 CB GLN A 13 -8.795 4.479 0.123 1.00 43.32 C ATOM 206 CG GLN A 13 -8.249 5.927 0.107 1.00 43.42 C ATOM 207 CD GLN A 13 -8.820 6.804 1.219 1.00 23.32 C ATOM 208 OE1 GLN A 13 -9.855 7.455 1.056 1.00 72.24 O ATOM 209 NE2 GLN A 13 -8.154 6.816 2.369 1.00 35.45 N ATOM 0 H GLN A 13 -9.002 1.901 0.066 1.00 75.45 H new ATOM 0 HA GLN A 13 -8.223 3.956 -1.876 1.00 22.03 H new ATOM 0 HB2 GLN A 13 -9.862 4.501 -0.100 1.00 43.32 H new ATOM 0 HB3 GLN A 13 -8.688 4.072 1.129 1.00 43.32 H new ATOM 0 HG2 GLN A 13 -7.163 5.899 0.198 1.00 43.42 H new ATOM 0 HG3 GLN A 13 -8.476 6.382 -0.857 1.00 43.42 H new ATOM 0 HE21 GLN A 13 -7.301 6.266 2.470 1.00 35.45 H new ATOM 0 HE22 GLN A 13 -8.496 7.375 3.150 1.00 35.45 H new ATOM 218 N VAL A 14 -5.770 3.656 -1.546 1.00 53.31 N ATOM 219 CA VAL A 14 -4.319 3.734 -1.400 1.00 1.23 C ATOM 220 C VAL A 14 -3.954 5.209 -1.228 1.00 23.52 C ATOM 221 O VAL A 14 -4.146 6.001 -2.149 1.00 30.32 O ATOM 222 CB VAL A 14 -3.586 3.152 -2.665 1.00 22.13 C ATOM 223 CG1 VAL A 14 -2.069 2.999 -2.417 1.00 62.03 C ATOM 224 CG2 VAL A 14 -4.234 1.827 -3.118 1.00 65.12 C ATOM 0 H VAL A 14 -6.088 3.808 -2.503 1.00 53.31 H new ATOM 0 HA VAL A 14 -4.004 3.145 -0.539 1.00 1.23 H new ATOM 0 HB VAL A 14 -3.703 3.866 -3.480 1.00 22.13 H new ATOM 0 HG11 VAL A 14 -1.593 2.595 -3.310 1.00 62.03 H new ATOM 0 HG12 VAL A 14 -1.638 3.973 -2.186 1.00 62.03 H new ATOM 0 HG13 VAL A 14 -1.904 2.321 -1.580 1.00 62.03 H new ATOM 0 HG21 VAL A 14 -3.709 1.446 -3.994 1.00 65.12 H new ATOM 0 HG22 VAL A 14 -4.171 1.097 -2.311 1.00 65.12 H new ATOM 0 HG23 VAL A 14 -5.280 2.001 -3.370 1.00 65.12 H new ATOM 234 N GLN A 15 -3.487 5.585 -0.040 1.00 44.40 N ATOM 235 CA GLN A 15 -3.113 6.967 0.267 1.00 13.14 C ATOM 236 C GLN A 15 -1.709 6.974 0.860 1.00 41.43 C ATOM 237 O GLN A 15 -1.501 6.456 1.964 1.00 21.13 O ATOM 238 CB GLN A 15 -4.136 7.591 1.255 1.00 60.43 C ATOM 239 CG GLN A 15 -3.855 9.066 1.624 1.00 5.14 C ATOM 240 CD GLN A 15 -4.840 9.646 2.648 1.00 34.22 C ATOM 241 OE1 GLN A 15 -5.379 8.926 3.493 1.00 22.44 O ATOM 242 NE2 GLN A 15 -5.072 10.951 2.590 1.00 23.05 N ATOM 0 H GLN A 15 -3.356 4.940 0.740 1.00 44.40 H new ATOM 0 HA GLN A 15 -3.121 7.567 -0.643 1.00 13.14 H new ATOM 0 HB2 GLN A 15 -5.132 7.523 0.818 1.00 60.43 H new ATOM 0 HB3 GLN A 15 -4.148 6.997 2.169 1.00 60.43 H new ATOM 0 HG2 GLN A 15 -2.843 9.145 2.022 1.00 5.14 H new ATOM 0 HG3 GLN A 15 -3.889 9.671 0.718 1.00 5.14 H new ATOM 0 HE21 GLN A 15 -4.611 11.520 1.880 1.00 23.05 H new ATOM 0 HE22 GLN A 15 -5.711 11.385 3.256 1.00 23.05 H new ATOM 251 N ASN A 16 -0.745 7.527 0.115 1.00 25.33 N ATOM 252 CA ASN A 16 0.621 7.723 0.606 1.00 33.31 C ATOM 253 C ASN A 16 0.821 9.201 0.968 1.00 75.15 C ATOM 254 O ASN A 16 0.484 10.102 0.187 1.00 1.34 O ATOM 255 CB ASN A 16 1.680 7.246 -0.427 1.00 51.30 C ATOM 256 CG ASN A 16 3.131 7.572 -0.029 1.00 61.11 C ATOM 257 OD1 ASN A 16 3.694 8.593 -0.436 1.00 21.33 O ATOM 258 ND2 ASN A 16 3.733 6.736 0.799 1.00 53.34 N ATOM 0 H ASN A 16 -0.890 7.850 -0.842 1.00 25.33 H new ATOM 0 HA ASN A 16 0.762 7.113 1.498 1.00 33.31 H new ATOM 0 HB2 ASN A 16 1.584 6.168 -0.560 1.00 51.30 H new ATOM 0 HB3 ASN A 16 1.466 7.707 -1.391 1.00 51.30 H new ATOM 0 HD21 ASN A 16 4.683 6.928 1.116 1.00 53.34 H new ATOM 0 HD22 ASN A 16 3.247 5.899 1.121 1.00 53.34 H new ATOM 265 N ASN A 17 1.319 9.423 2.186 1.00 70.42 N ATOM 266 CA ASN A 17 1.793 10.724 2.656 1.00 23.41 C ATOM 267 C ASN A 17 3.320 10.676 2.592 1.00 42.15 C ATOM 268 O ASN A 17 3.922 9.632 2.850 1.00 54.14 O ATOM 269 CB ASN A 17 1.312 10.996 4.108 1.00 63.22 C ATOM 270 CG ASN A 17 1.680 12.397 4.622 1.00 31.25 C ATOM 271 OD1 ASN A 17 1.765 13.357 3.852 1.00 13.53 O ATOM 272 ND2 ASN A 17 1.905 12.527 5.919 1.00 72.24 N ATOM 0 H ASN A 17 1.405 8.687 2.887 1.00 70.42 H new ATOM 0 HA ASN A 17 1.398 11.531 2.038 1.00 23.41 H new ATOM 0 HB2 ASN A 17 0.230 10.874 4.153 1.00 63.22 H new ATOM 0 HB3 ASN A 17 1.745 10.248 4.772 1.00 63.22 H new ATOM 0 HD21 ASN A 17 2.156 13.438 6.304 1.00 72.24 H new ATOM 0 HD22 ASN A 17 1.828 11.717 6.534 1.00 72.24 H new ATOM 279 N ASN A 18 3.935 11.798 2.247 1.00 75.35 N ATOM 280 CA ASN A 18 5.363 11.851 1.929 1.00 70.40 C ATOM 281 C ASN A 18 5.942 13.140 2.513 1.00 54.44 C ATOM 282 O ASN A 18 5.385 14.225 2.297 1.00 43.31 O ATOM 283 CB ASN A 18 5.517 11.779 0.385 1.00 11.30 C ATOM 284 CG ASN A 18 6.953 11.565 -0.111 1.00 20.22 C ATOM 285 OD1 ASN A 18 7.913 12.155 0.391 1.00 41.20 O ATOM 286 ND2 ASN A 18 7.109 10.687 -1.085 1.00 74.44 N ATOM 0 H ASN A 18 3.462 12.699 2.178 1.00 75.35 H new ATOM 0 HA ASN A 18 5.910 11.014 2.363 1.00 70.40 H new ATOM 0 HB2 ASN A 18 4.894 10.967 0.010 1.00 11.30 H new ATOM 0 HB3 ASN A 18 5.132 12.703 -0.048 1.00 11.30 H new ATOM 0 HD21 ASN A 18 8.042 10.481 -1.442 1.00 74.44 H new ATOM 0 HD22 ASN A 18 6.296 10.214 -1.481 1.00 74.44 H new ATOM 293 N THR A 19 7.054 13.016 3.251 1.00 51.40 N ATOM 294 CA THR A 19 7.676 14.140 3.950 1.00 40.32 C ATOM 295 C THR A 19 8.754 14.755 3.041 1.00 34.43 C ATOM 296 O THR A 19 9.765 14.112 2.734 1.00 11.52 O ATOM 297 CB THR A 19 8.292 13.673 5.315 1.00 4.03 C ATOM 298 OG1 THR A 19 9.265 12.642 5.093 1.00 12.31 O ATOM 299 CG2 THR A 19 7.215 13.143 6.283 1.00 22.43 C ATOM 0 H THR A 19 7.545 12.131 3.378 1.00 51.40 H new ATOM 0 HA THR A 19 6.921 14.893 4.175 1.00 40.32 H new ATOM 0 HB THR A 19 8.763 14.545 5.768 1.00 4.03 H new ATOM 0 HG1 THR A 19 9.696 12.780 4.224 1.00 12.31 H new ATOM 0 HG21 THR A 19 7.686 12.831 7.215 1.00 22.43 H new ATOM 0 HG22 THR A 19 6.491 13.931 6.488 1.00 22.43 H new ATOM 0 HG23 THR A 19 6.706 12.292 5.830 1.00 22.43 H new ATOM 407 N TYR A 27 -0.369 11.309 -4.130 1.00 43.21 N ATOM 408 CA TYR A 27 0.038 9.890 -4.050 1.00 21.51 C ATOM 409 C TYR A 27 -1.183 9.004 -3.702 1.00 64.13 C ATOM 410 O TYR A 27 -1.032 7.886 -3.179 1.00 62.35 O ATOM 411 CB TYR A 27 1.143 9.729 -2.966 1.00 62.03 C ATOM 412 CG TYR A 27 2.439 10.530 -3.191 1.00 62.40 C ATOM 413 CD1 TYR A 27 3.439 10.058 -4.040 1.00 13.14 C ATOM 414 CD2 TYR A 27 2.668 11.752 -2.542 1.00 15.21 C ATOM 415 CE1 TYR A 27 4.612 10.769 -4.236 1.00 55.30 C ATOM 416 CE2 TYR A 27 3.842 12.462 -2.739 1.00 51.45 C ATOM 417 CZ TYR A 27 4.809 11.963 -3.584 1.00 62.50 C ATOM 418 OH TYR A 27 5.976 12.670 -3.781 1.00 25.12 O ATOM 0 HA TYR A 27 0.432 9.574 -5.016 1.00 21.51 H new ATOM 0 HB2 TYR A 27 0.723 10.020 -2.003 1.00 62.03 H new ATOM 0 HB3 TYR A 27 1.401 8.672 -2.895 1.00 62.03 H new ATOM 0 HD1 TYR A 27 3.297 9.120 -4.555 1.00 13.14 H new ATOM 0 HD2 TYR A 27 1.915 12.147 -1.876 1.00 15.21 H new ATOM 0 HE1 TYR A 27 5.371 10.385 -4.901 1.00 55.30 H new ATOM 0 HE2 TYR A 27 3.998 13.403 -2.232 1.00 51.45 H new ATOM 0 HH TYR A 27 5.955 13.491 -3.247 1.00 25.12 H new ATOM 428 N THR A 28 -2.400 9.504 -3.998 1.00 13.25 N ATOM 429 CA THR A 28 -3.664 8.855 -3.594 1.00 71.30 C ATOM 430 C THR A 28 -4.453 8.334 -4.817 1.00 62.34 C ATOM 431 O THR A 28 -4.801 9.097 -5.729 1.00 62.42 O ATOM 432 CB THR A 28 -4.547 9.844 -2.761 1.00 22.41 C ATOM 433 OG1 THR A 28 -3.778 10.342 -1.650 1.00 74.35 O ATOM 434 CG2 THR A 28 -5.837 9.177 -2.227 1.00 65.34 C ATOM 0 H THR A 28 -2.534 10.368 -4.523 1.00 13.25 H new ATOM 0 HA THR A 28 -3.409 7.997 -2.972 1.00 71.30 H new ATOM 0 HB THR A 28 -4.846 10.656 -3.423 1.00 22.41 H new ATOM 0 HG1 THR A 28 -4.325 10.963 -1.126 1.00 74.35 H new ATOM 0 HG21 THR A 28 -6.414 9.905 -1.656 1.00 65.34 H new ATOM 0 HG22 THR A 28 -6.434 8.817 -3.065 1.00 65.34 H new ATOM 0 HG23 THR A 28 -5.573 8.338 -1.583 1.00 65.34 H new ATOM 442 N TYR A 29 -4.710 7.010 -4.821 1.00 74.11 N ATOM 443 CA TYR A 29 -5.522 6.323 -5.840 1.00 2.23 C ATOM 444 C TYR A 29 -6.573 5.469 -5.128 1.00 52.32 C ATOM 445 O TYR A 29 -6.227 4.644 -4.281 1.00 34.53 O ATOM 446 CB TYR A 29 -4.628 5.428 -6.740 1.00 70.24 C ATOM 447 CG TYR A 29 -3.497 6.189 -7.440 1.00 31.53 C ATOM 448 CD1 TYR A 29 -3.726 6.870 -8.633 1.00 11.20 C ATOM 449 CD2 TYR A 29 -2.213 6.253 -6.888 1.00 62.15 C ATOM 450 CE1 TYR A 29 -2.725 7.587 -9.249 1.00 11.42 C ATOM 451 CE2 TYR A 29 -1.204 6.964 -7.508 1.00 25.23 C ATOM 452 CZ TYR A 29 -1.469 7.632 -8.689 1.00 11.33 C ATOM 453 OH TYR A 29 -0.482 8.364 -9.305 1.00 30.22 O ATOM 0 H TYR A 29 -4.352 6.380 -4.103 1.00 74.11 H new ATOM 0 HA TYR A 29 -6.008 7.061 -6.478 1.00 2.23 H new ATOM 0 HB2 TYR A 29 -4.196 4.633 -6.132 1.00 70.24 H new ATOM 0 HB3 TYR A 29 -5.252 4.949 -7.494 1.00 70.24 H new ATOM 0 HD1 TYR A 29 -4.707 6.835 -9.083 1.00 11.20 H new ATOM 0 HD2 TYR A 29 -2.007 5.738 -5.961 1.00 62.15 H new ATOM 0 HE1 TYR A 29 -2.925 8.113 -10.170 1.00 11.42 H new ATOM 0 HE2 TYR A 29 -0.216 6.998 -7.074 1.00 25.23 H new ATOM 0 HH TYR A 29 0.371 7.885 -9.238 1.00 30.22 H new ATOM 463 N THR A 30 -7.847 5.674 -5.466 1.00 53.11 N ATOM 464 CA THR A 30 -8.958 4.925 -4.883 1.00 71.20 C ATOM 465 C THR A 30 -9.496 3.954 -5.944 1.00 44.34 C ATOM 466 O THR A 30 -10.174 4.362 -6.898 1.00 44.11 O ATOM 467 CB THR A 30 -10.080 5.897 -4.395 1.00 63.51 C ATOM 468 OG1 THR A 30 -9.502 6.925 -3.568 1.00 4.41 O ATOM 469 CG2 THR A 30 -11.161 5.167 -3.598 1.00 2.14 C ATOM 0 H THR A 30 -8.137 6.368 -6.155 1.00 53.11 H new ATOM 0 HA THR A 30 -8.614 4.364 -4.014 1.00 71.20 H new ATOM 0 HB THR A 30 -10.545 6.333 -5.279 1.00 63.51 H new ATOM 0 HG1 THR A 30 -10.206 7.535 -3.264 1.00 4.41 H new ATOM 0 HG21 THR A 30 -11.921 5.880 -3.278 1.00 2.14 H new ATOM 0 HG22 THR A 30 -11.621 4.403 -4.224 1.00 2.14 H new ATOM 0 HG23 THR A 30 -10.713 4.697 -2.722 1.00 2.14 H new ATOM 477 N VAL A 31 -9.136 2.680 -5.771 1.00 31.52 N ATOM 478 CA VAL A 31 -9.566 1.561 -6.624 1.00 12.43 C ATOM 479 C VAL A 31 -10.544 0.673 -5.838 1.00 61.34 C ATOM 480 O VAL A 31 -10.854 0.955 -4.677 1.00 51.21 O ATOM 481 CB VAL A 31 -8.331 0.719 -7.153 1.00 71.23 C ATOM 482 CG1 VAL A 31 -7.464 1.570 -8.109 1.00 52.13 C ATOM 483 CG2 VAL A 31 -7.478 0.142 -5.994 1.00 22.10 C ATOM 0 H VAL A 31 -8.520 2.386 -5.013 1.00 31.52 H new ATOM 0 HA VAL A 31 -10.070 1.965 -7.502 1.00 12.43 H new ATOM 0 HB VAL A 31 -8.729 -0.131 -7.707 1.00 71.23 H new ATOM 0 HG11 VAL A 31 -6.621 0.976 -8.462 1.00 52.13 H new ATOM 0 HG12 VAL A 31 -8.066 1.888 -8.960 1.00 52.13 H new ATOM 0 HG13 VAL A 31 -7.093 2.447 -7.580 1.00 52.13 H new ATOM 0 HG21 VAL A 31 -6.644 -0.427 -6.404 1.00 22.10 H new ATOM 0 HG22 VAL A 31 -7.094 0.959 -5.383 1.00 22.10 H new ATOM 0 HG23 VAL A 31 -8.095 -0.512 -5.379 1.00 22.10 H new ATOM 493 N THR A 32 -11.079 -0.356 -6.494 1.00 55.10 N ATOM 494 CA THR A 32 -11.968 -1.347 -5.858 1.00 22.44 C ATOM 495 C THR A 32 -11.493 -2.774 -6.194 1.00 3.03 C ATOM 496 O THR A 32 -11.676 -3.698 -5.401 1.00 72.43 O ATOM 497 CB THR A 32 -13.467 -1.121 -6.278 1.00 42.34 C ATOM 498 OG1 THR A 32 -14.333 -2.098 -5.661 1.00 51.32 O ATOM 499 CG2 THR A 32 -13.666 -1.143 -7.808 1.00 12.21 C ATOM 0 H THR A 32 -10.912 -0.533 -7.485 1.00 55.10 H new ATOM 0 HA THR A 32 -11.918 -1.216 -4.777 1.00 22.44 H new ATOM 0 HB THR A 32 -13.734 -0.126 -5.923 1.00 42.34 H new ATOM 0 HG1 THR A 32 -15.259 -1.935 -5.937 1.00 51.32 H new ATOM 0 HG21 THR A 32 -14.719 -0.982 -8.040 1.00 12.21 H new ATOM 0 HG22 THR A 32 -13.069 -0.353 -8.264 1.00 12.21 H new ATOM 0 HG23 THR A 32 -13.351 -2.109 -8.202 1.00 12.21 H new ATOM 507 N THR A 33 -10.871 -2.942 -7.376 1.00 31.23 N ATOM 508 CA THR A 33 -10.339 -4.236 -7.828 1.00 33.40 C ATOM 509 C THR A 33 -8.883 -4.427 -7.325 1.00 21.10 C ATOM 510 O THR A 33 -8.078 -3.484 -7.366 1.00 14.30 O ATOM 511 CB THR A 33 -10.411 -4.321 -9.387 1.00 20.34 C ATOM 512 OG1 THR A 33 -11.743 -4.003 -9.831 1.00 21.44 O ATOM 513 CG2 THR A 33 -10.016 -5.706 -9.929 1.00 72.23 C ATOM 0 H THR A 33 -10.725 -2.184 -8.042 1.00 31.23 H new ATOM 0 HA THR A 33 -10.945 -5.039 -7.410 1.00 33.40 H new ATOM 0 HB THR A 33 -9.692 -3.600 -9.776 1.00 20.34 H new ATOM 0 HG1 THR A 33 -11.783 -4.056 -10.809 1.00 21.44 H new ATOM 0 HG21 THR A 33 -10.085 -5.704 -11.017 1.00 72.23 H new ATOM 0 HG22 THR A 33 -8.993 -5.935 -9.631 1.00 72.23 H new ATOM 0 HG23 THR A 33 -10.690 -6.461 -9.524 1.00 72.23 H new ATOM 521 N GLU A 34 -8.560 -5.659 -6.874 1.00 21.20 N ATOM 522 CA GLU A 34 -7.265 -5.995 -6.227 1.00 40.40 C ATOM 523 C GLU A 34 -6.102 -6.067 -7.242 1.00 12.14 C ATOM 524 O GLU A 34 -4.947 -5.800 -6.892 1.00 21.14 O ATOM 525 CB GLU A 34 -7.405 -7.336 -5.464 1.00 24.41 C ATOM 526 CG GLU A 34 -8.586 -7.380 -4.468 1.00 72.24 C ATOM 527 CD GLU A 34 -8.735 -8.731 -3.746 1.00 13.24 C ATOM 528 OE1 GLU A 34 -8.775 -9.781 -4.430 1.00 40.23 O ATOM 529 OE2 GLU A 34 -8.815 -8.759 -2.499 1.00 41.33 O ATOM 0 H GLU A 34 -9.192 -6.456 -6.947 1.00 21.20 H new ATOM 0 HA GLU A 34 -7.021 -5.195 -5.528 1.00 40.40 H new ATOM 0 HB2 GLU A 34 -7.525 -8.142 -6.188 1.00 24.41 H new ATOM 0 HB3 GLU A 34 -6.480 -7.530 -4.921 1.00 24.41 H new ATOM 0 HG2 GLU A 34 -8.453 -6.594 -3.725 1.00 72.24 H new ATOM 0 HG3 GLU A 34 -9.510 -7.160 -5.003 1.00 72.24 H new ATOM 536 N SER A 35 -6.421 -6.430 -8.499 1.00 42.42 N ATOM 537 CA SER A 35 -5.440 -6.442 -9.606 1.00 21.33 C ATOM 538 C SER A 35 -5.004 -5.001 -9.950 1.00 64.01 C ATOM 539 O SER A 35 -3.852 -4.754 -10.328 1.00 4.24 O ATOM 540 CB SER A 35 -6.041 -7.137 -10.844 1.00 34.34 C ATOM 541 OG SER A 35 -7.179 -6.437 -11.322 1.00 24.25 O ATOM 0 H SER A 35 -7.358 -6.721 -8.777 1.00 42.42 H new ATOM 0 HA SER A 35 -4.560 -7.002 -9.289 1.00 21.33 H new ATOM 0 HB2 SER A 35 -5.290 -7.197 -11.632 1.00 34.34 H new ATOM 0 HB3 SER A 35 -6.319 -8.160 -10.591 1.00 34.34 H new ATOM 0 HG SER A 35 -6.890 -5.636 -11.808 1.00 24.25 H new ATOM 547 N GLU A 36 -5.948 -4.057 -9.776 1.00 1.12 N ATOM 548 CA GLU A 36 -5.702 -2.626 -10.001 1.00 1.34 C ATOM 549 C GLU A 36 -4.905 -2.024 -8.830 1.00 60.43 C ATOM 550 O GLU A 36 -4.142 -1.088 -9.023 1.00 34.15 O ATOM 551 CB GLU A 36 -7.039 -1.872 -10.219 1.00 33.23 C ATOM 552 CG GLU A 36 -7.938 -2.467 -11.325 1.00 4.14 C ATOM 553 CD GLU A 36 -7.243 -2.599 -12.692 1.00 40.32 C ATOM 554 OE1 GLU A 36 -7.223 -1.610 -13.459 1.00 74.41 O ATOM 555 OE2 GLU A 36 -6.715 -3.694 -13.013 1.00 14.11 O ATOM 0 H GLU A 36 -6.900 -4.268 -9.476 1.00 1.12 H new ATOM 0 HA GLU A 36 -5.104 -2.513 -10.905 1.00 1.34 H new ATOM 0 HB2 GLU A 36 -7.595 -1.865 -9.281 1.00 33.23 H new ATOM 0 HB3 GLU A 36 -6.819 -0.833 -10.467 1.00 33.23 H new ATOM 0 HG2 GLU A 36 -8.284 -3.451 -11.008 1.00 4.14 H new ATOM 0 HG3 GLU A 36 -8.822 -1.839 -11.437 1.00 4.14 H new ATOM 562 N LEU A 37 -5.092 -2.586 -7.619 1.00 12.41 N ATOM 563 CA LEU A 37 -4.280 -2.234 -6.429 1.00 13.32 C ATOM 564 C LEU A 37 -2.777 -2.510 -6.687 1.00 43.51 C ATOM 565 O LEU A 37 -1.923 -1.689 -6.342 1.00 42.21 O ATOM 566 CB LEU A 37 -4.780 -3.024 -5.180 1.00 11.14 C ATOM 567 CG LEU A 37 -3.859 -3.007 -3.909 1.00 33.31 C ATOM 568 CD1 LEU A 37 -3.587 -1.580 -3.402 1.00 70.04 C ATOM 569 CD2 LEU A 37 -4.443 -3.888 -2.791 1.00 62.05 C ATOM 0 H LEU A 37 -5.804 -3.292 -7.435 1.00 12.41 H new ATOM 0 HA LEU A 37 -4.398 -1.168 -6.234 1.00 13.32 H new ATOM 0 HB2 LEU A 37 -5.755 -2.628 -4.897 1.00 11.14 H new ATOM 0 HB3 LEU A 37 -4.931 -4.062 -5.475 1.00 11.14 H new ATOM 0 HG LEU A 37 -2.898 -3.426 -4.209 1.00 33.31 H new ATOM 0 HD11 LEU A 37 -2.946 -1.623 -2.522 1.00 70.04 H new ATOM 0 HD12 LEU A 37 -3.092 -1.004 -4.184 1.00 70.04 H new ATOM 0 HD13 LEU A 37 -4.530 -1.101 -3.140 1.00 70.04 H new ATOM 0 HD21 LEU A 37 -3.785 -3.858 -1.923 1.00 62.05 H new ATOM 0 HD22 LEU A 37 -5.429 -3.516 -2.512 1.00 62.05 H new ATOM 0 HD23 LEU A 37 -4.530 -4.915 -3.145 1.00 62.05 H new ATOM 581 N GLN A 38 -2.490 -3.659 -7.327 1.00 31.12 N ATOM 582 CA GLN A 38 -1.115 -4.078 -7.689 1.00 14.53 C ATOM 583 C GLN A 38 -0.458 -3.043 -8.620 1.00 61.30 C ATOM 584 O GLN A 38 0.701 -2.657 -8.421 1.00 33.14 O ATOM 585 CB GLN A 38 -1.151 -5.463 -8.387 1.00 43.12 C ATOM 586 CG GLN A 38 -1.828 -6.578 -7.567 1.00 5.40 C ATOM 587 CD GLN A 38 -2.138 -7.832 -8.394 1.00 43.45 C ATOM 588 OE1 GLN A 38 -1.420 -8.171 -9.341 1.00 51.42 O ATOM 589 NE2 GLN A 38 -3.223 -8.516 -8.066 1.00 4.21 N ATOM 0 H GLN A 38 -3.206 -4.328 -7.610 1.00 31.12 H new ATOM 0 HA GLN A 38 -0.524 -4.148 -6.776 1.00 14.53 H new ATOM 0 HB2 GLN A 38 -1.673 -5.362 -9.339 1.00 43.12 H new ATOM 0 HB3 GLN A 38 -0.129 -5.767 -8.615 1.00 43.12 H new ATOM 0 HG2 GLN A 38 -1.181 -6.851 -6.733 1.00 5.40 H new ATOM 0 HG3 GLN A 38 -2.754 -6.194 -7.139 1.00 5.40 H new ATOM 0 HE21 GLN A 38 -3.798 -8.214 -7.279 1.00 4.21 H new ATOM 0 HE22 GLN A 38 -3.484 -9.345 -8.600 1.00 4.21 H new ATOM 598 N LYS A 39 -1.236 -2.593 -9.625 1.00 54.43 N ATOM 599 CA LYS A 39 -0.771 -1.612 -10.625 1.00 44.44 C ATOM 600 C LYS A 39 -0.512 -0.245 -9.945 1.00 60.01 C ATOM 601 O LYS A 39 0.474 0.426 -10.242 1.00 1.54 O ATOM 602 CB LYS A 39 -1.798 -1.503 -11.818 1.00 0.11 C ATOM 603 CG LYS A 39 -2.763 -0.284 -11.809 1.00 73.31 C ATOM 604 CD LYS A 39 -3.994 -0.459 -12.733 1.00 62.02 C ATOM 605 CE LYS A 39 -3.634 -0.738 -14.196 1.00 60.22 C ATOM 606 NZ LYS A 39 -4.853 -0.978 -15.024 1.00 44.43 N ATOM 0 H LYS A 39 -2.199 -2.898 -9.766 1.00 54.43 H new ATOM 0 HA LYS A 39 0.173 -1.951 -11.051 1.00 44.44 H new ATOM 0 HB2 LYS A 39 -1.233 -1.481 -12.750 1.00 0.11 H new ATOM 0 HB3 LYS A 39 -2.400 -2.412 -11.831 1.00 0.11 H new ATOM 0 HG2 LYS A 39 -3.107 -0.111 -10.789 1.00 73.31 H new ATOM 0 HG3 LYS A 39 -2.213 0.606 -12.115 1.00 73.31 H new ATOM 0 HD2 LYS A 39 -4.606 -1.279 -12.356 1.00 62.02 H new ATOM 0 HD3 LYS A 39 -4.604 0.443 -12.684 1.00 62.02 H new ATOM 0 HE2 LYS A 39 -3.078 0.107 -14.602 1.00 60.22 H new ATOM 0 HE3 LYS A 39 -2.979 -1.607 -14.251 1.00 60.22 H new ATOM 0 HZ1 LYS A 39 -4.687 -1.783 -15.662 1.00 44.43 H new ATOM 0 HZ2 LYS A 39 -5.659 -1.190 -14.402 1.00 44.43 H new ATOM 0 HZ3 LYS A 39 -5.064 -0.129 -15.586 1.00 44.43 H new ATOM 620 N VAL A 40 -1.388 0.109 -8.977 1.00 73.43 N ATOM 621 CA VAL A 40 -1.280 1.358 -8.189 1.00 40.12 C ATOM 622 C VAL A 40 0.015 1.365 -7.367 1.00 73.55 C ATOM 623 O VAL A 40 0.726 2.357 -7.358 1.00 21.15 O ATOM 624 CB VAL A 40 -2.537 1.572 -7.248 1.00 14.43 C ATOM 625 CG1 VAL A 40 -2.289 2.673 -6.188 1.00 14.31 C ATOM 626 CG2 VAL A 40 -3.794 1.896 -8.090 1.00 11.52 C ATOM 0 H VAL A 40 -2.191 -0.465 -8.720 1.00 73.43 H new ATOM 0 HA VAL A 40 -1.254 2.189 -8.894 1.00 40.12 H new ATOM 0 HB VAL A 40 -2.704 0.639 -6.710 1.00 14.43 H new ATOM 0 HG11 VAL A 40 -3.177 2.785 -5.566 1.00 14.31 H new ATOM 0 HG12 VAL A 40 -1.441 2.392 -5.563 1.00 14.31 H new ATOM 0 HG13 VAL A 40 -2.074 3.618 -6.688 1.00 14.31 H new ATOM 0 HG21 VAL A 40 -4.648 2.040 -7.428 1.00 11.52 H new ATOM 0 HG22 VAL A 40 -3.622 2.806 -8.664 1.00 11.52 H new ATOM 0 HG23 VAL A 40 -3.998 1.070 -8.771 1.00 11.52 H new ATOM 636 N LEU A 41 0.314 0.232 -6.714 1.00 33.02 N ATOM 637 CA LEU A 41 1.518 0.079 -5.870 1.00 51.51 C ATOM 638 C LEU A 41 2.803 0.030 -6.717 1.00 23.12 C ATOM 639 O LEU A 41 3.884 0.352 -6.221 1.00 45.24 O ATOM 640 CB LEU A 41 1.394 -1.189 -4.984 1.00 5.03 C ATOM 641 CG LEU A 41 0.242 -1.173 -3.933 1.00 24.54 C ATOM 642 CD1 LEU A 41 0.195 -2.494 -3.133 1.00 33.54 C ATOM 643 CD2 LEU A 41 0.348 0.053 -2.998 1.00 72.43 C ATOM 0 H LEU A 41 -0.268 -0.605 -6.753 1.00 33.02 H new ATOM 0 HA LEU A 41 1.588 0.954 -5.224 1.00 51.51 H new ATOM 0 HB2 LEU A 41 1.254 -2.052 -5.635 1.00 5.03 H new ATOM 0 HB3 LEU A 41 2.338 -1.336 -4.459 1.00 5.03 H new ATOM 0 HG LEU A 41 -0.699 -1.086 -4.477 1.00 24.54 H new ATOM 0 HD11 LEU A 41 -0.618 -2.452 -2.409 1.00 33.54 H new ATOM 0 HD12 LEU A 41 0.030 -3.327 -3.816 1.00 33.54 H new ATOM 0 HD13 LEU A 41 1.140 -2.636 -2.609 1.00 33.54 H new ATOM 0 HD21 LEU A 41 -0.470 0.033 -2.278 1.00 72.43 H new ATOM 0 HD22 LEU A 41 1.300 0.025 -2.467 1.00 72.43 H new ATOM 0 HD23 LEU A 41 0.289 0.967 -3.589 1.00 72.43 H new ATOM 655 N ASN A 42 2.658 -0.369 -7.993 1.00 34.03 N ATOM 656 CA ASN A 42 3.764 -0.398 -8.969 1.00 53.30 C ATOM 657 C ASN A 42 4.148 1.050 -9.346 1.00 51.22 C ATOM 658 O ASN A 42 5.315 1.438 -9.235 1.00 50.15 O ATOM 659 CB ASN A 42 3.348 -1.220 -10.227 1.00 60.45 C ATOM 660 CG ASN A 42 4.502 -1.568 -11.185 1.00 60.13 C ATOM 661 OD1 ASN A 42 5.495 -0.847 -11.299 1.00 42.21 O ATOM 662 ND2 ASN A 42 4.375 -2.686 -11.888 1.00 40.54 N ATOM 0 H ASN A 42 1.767 -0.682 -8.379 1.00 34.03 H new ATOM 0 HA ASN A 42 4.634 -0.885 -8.528 1.00 53.30 H new ATOM 0 HB2 ASN A 42 2.876 -2.146 -9.898 1.00 60.45 H new ATOM 0 HB3 ASN A 42 2.595 -0.657 -10.778 1.00 60.45 H new ATOM 0 HD21 ASN A 42 5.108 -2.965 -12.540 1.00 40.54 H new ATOM 0 HD22 ASN A 42 3.544 -3.267 -11.777 1.00 40.54 H new ATOM 669 N GLU A 43 3.139 1.847 -9.752 1.00 23.02 N ATOM 670 CA GLU A 43 3.323 3.277 -10.091 1.00 30.42 C ATOM 671 C GLU A 43 3.733 4.093 -8.847 1.00 2.20 C ATOM 672 O GLU A 43 4.611 4.958 -8.931 1.00 31.22 O ATOM 673 CB GLU A 43 2.028 3.873 -10.739 1.00 41.20 C ATOM 674 CG GLU A 43 1.875 3.618 -12.261 1.00 53.54 C ATOM 675 CD GLU A 43 1.698 2.139 -12.651 1.00 65.44 C ATOM 676 OE1 GLU A 43 2.712 1.426 -12.846 1.00 52.52 O ATOM 677 OE2 GLU A 43 0.538 1.692 -12.793 1.00 24.15 O ATOM 0 H GLU A 43 2.178 1.522 -9.854 1.00 23.02 H new ATOM 0 HA GLU A 43 4.129 3.343 -10.822 1.00 30.42 H new ATOM 0 HB2 GLU A 43 1.160 3.456 -10.228 1.00 41.20 H new ATOM 0 HB3 GLU A 43 2.015 4.949 -10.564 1.00 41.20 H new ATOM 0 HG2 GLU A 43 1.016 4.181 -12.625 1.00 53.54 H new ATOM 0 HG3 GLU A 43 2.754 4.012 -12.772 1.00 53.54 H new ATOM 684 N LEU A 44 3.114 3.773 -7.692 1.00 12.50 N ATOM 685 CA LEU A 44 3.341 4.483 -6.413 1.00 15.51 C ATOM 686 C LEU A 44 4.779 4.256 -5.925 1.00 21.01 C ATOM 687 O LEU A 44 5.395 5.156 -5.353 1.00 60.41 O ATOM 688 CB LEU A 44 2.333 4.010 -5.328 1.00 21.21 C ATOM 689 CG LEU A 44 2.392 4.758 -3.960 1.00 21.25 C ATOM 690 CD1 LEU A 44 2.039 6.251 -4.108 1.00 24.33 C ATOM 691 CD2 LEU A 44 1.503 4.063 -2.911 1.00 41.14 C ATOM 0 H LEU A 44 2.439 3.012 -7.618 1.00 12.50 H new ATOM 0 HA LEU A 44 3.187 5.548 -6.586 1.00 15.51 H new ATOM 0 HB2 LEU A 44 1.325 4.110 -5.730 1.00 21.21 H new ATOM 0 HB3 LEU A 44 2.499 2.948 -5.145 1.00 21.21 H new ATOM 0 HG LEU A 44 3.421 4.711 -3.604 1.00 21.25 H new ATOM 0 HD11 LEU A 44 2.092 6.736 -3.133 1.00 24.33 H new ATOM 0 HD12 LEU A 44 2.746 6.726 -4.788 1.00 24.33 H new ATOM 0 HD13 LEU A 44 1.030 6.348 -4.507 1.00 24.33 H new ATOM 0 HD21 LEU A 44 1.563 4.605 -1.967 1.00 41.14 H new ATOM 0 HD22 LEU A 44 0.470 4.053 -3.259 1.00 41.14 H new ATOM 0 HD23 LEU A 44 1.847 3.039 -2.764 1.00 41.14 H new ATOM 703 N LYS A 45 5.299 3.038 -6.176 1.00 63.21 N ATOM 704 CA LYS A 45 6.703 2.687 -5.896 1.00 15.24 C ATOM 705 C LYS A 45 7.656 3.654 -6.637 1.00 71.21 C ATOM 706 O LYS A 45 8.614 4.156 -6.056 1.00 2.23 O ATOM 707 CB LYS A 45 6.982 1.211 -6.298 1.00 14.23 C ATOM 708 CG LYS A 45 8.406 0.705 -5.979 1.00 53.13 C ATOM 709 CD LYS A 45 8.593 -0.805 -6.266 1.00 1.44 C ATOM 710 CE LYS A 45 8.296 -1.182 -7.726 1.00 33.42 C ATOM 711 NZ LYS A 45 8.588 -2.620 -8.001 1.00 12.24 N ATOM 0 H LYS A 45 4.758 2.272 -6.578 1.00 63.21 H new ATOM 0 HA LYS A 45 6.884 2.786 -4.826 1.00 15.24 H new ATOM 0 HB2 LYS A 45 6.262 0.570 -5.789 1.00 14.23 H new ATOM 0 HB3 LYS A 45 6.805 1.102 -7.368 1.00 14.23 H new ATOM 0 HG2 LYS A 45 9.127 1.272 -6.567 1.00 53.13 H new ATOM 0 HG3 LYS A 45 8.628 0.899 -4.930 1.00 53.13 H new ATOM 0 HD2 LYS A 45 9.617 -1.091 -6.024 1.00 1.44 H new ATOM 0 HD3 LYS A 45 7.939 -1.378 -5.609 1.00 1.44 H new ATOM 0 HE2 LYS A 45 7.249 -0.975 -7.948 1.00 33.42 H new ATOM 0 HE3 LYS A 45 8.892 -0.557 -8.391 1.00 33.42 H new ATOM 0 HZ1 LYS A 45 8.064 -2.925 -8.846 1.00 12.24 H new ATOM 0 HZ2 LYS A 45 9.608 -2.742 -8.164 1.00 12.24 H new ATOM 0 HZ3 LYS A 45 8.296 -3.196 -7.186 1.00 12.24 H new ATOM 725 N ASP A 46 7.325 3.956 -7.911 1.00 3.34 N ATOM 726 CA ASP A 46 8.092 4.913 -8.745 1.00 1.23 C ATOM 727 C ASP A 46 7.980 6.345 -8.184 1.00 61.54 C ATOM 728 O ASP A 46 8.963 7.085 -8.165 1.00 12.33 O ATOM 729 CB ASP A 46 7.607 4.889 -10.226 1.00 72.34 C ATOM 730 CG ASP A 46 8.464 5.790 -11.147 1.00 74.53 C ATOM 731 OD1 ASP A 46 9.492 5.314 -11.675 1.00 12.13 O ATOM 732 OD2 ASP A 46 8.113 6.975 -11.360 1.00 51.14 O ATOM 0 H ASP A 46 6.523 3.547 -8.390 1.00 3.34 H new ATOM 0 HA ASP A 46 9.136 4.602 -8.717 1.00 1.23 H new ATOM 0 HB2 ASP A 46 7.635 3.865 -10.597 1.00 72.34 H new ATOM 0 HB3 ASP A 46 6.568 5.215 -10.270 1.00 72.34 H new ATOM 737 N TYR A 47 6.765 6.714 -7.723 1.00 73.15 N ATOM 738 CA TYR A 47 6.490 8.058 -7.162 1.00 54.13 C ATOM 739 C TYR A 47 7.318 8.339 -5.887 1.00 31.13 C ATOM 740 O TYR A 47 7.817 9.451 -5.709 1.00 40.24 O ATOM 741 CB TYR A 47 4.976 8.252 -6.861 1.00 11.50 C ATOM 742 CG TYR A 47 4.125 8.596 -8.087 1.00 12.13 C ATOM 743 CD1 TYR A 47 4.176 9.871 -8.657 1.00 62.51 C ATOM 744 CD2 TYR A 47 3.275 7.663 -8.667 1.00 5.02 C ATOM 745 CE1 TYR A 47 3.408 10.192 -9.759 1.00 64.23 C ATOM 746 CE2 TYR A 47 2.510 7.975 -9.767 1.00 72.33 C ATOM 747 CZ TYR A 47 2.577 9.239 -10.313 1.00 0.30 C ATOM 748 OH TYR A 47 1.809 9.547 -11.419 1.00 23.10 O ATOM 0 H TYR A 47 5.953 6.096 -7.728 1.00 73.15 H new ATOM 0 HA TYR A 47 6.791 8.775 -7.926 1.00 54.13 H new ATOM 0 HB2 TYR A 47 4.588 7.339 -6.410 1.00 11.50 H new ATOM 0 HB3 TYR A 47 4.864 9.045 -6.122 1.00 11.50 H new ATOM 0 HD1 TYR A 47 4.827 10.618 -8.228 1.00 62.51 H new ATOM 0 HD2 TYR A 47 3.213 6.671 -8.245 1.00 5.02 H new ATOM 0 HE1 TYR A 47 3.457 11.183 -10.185 1.00 64.23 H new ATOM 0 HE2 TYR A 47 1.858 7.231 -10.202 1.00 72.33 H new ATOM 0 HH TYR A 47 1.283 8.763 -11.681 1.00 23.10 H new ATOM 758 N ILE A 48 7.447 7.320 -5.020 1.00 32.15 N ATOM 759 CA ILE A 48 8.204 7.419 -3.751 1.00 60.22 C ATOM 760 C ILE A 48 9.731 7.325 -4.025 1.00 71.41 C ATOM 761 O ILE A 48 10.544 7.918 -3.309 1.00 32.13 O ATOM 762 CB ILE A 48 7.751 6.293 -2.733 1.00 4.34 C ATOM 763 CG1 ILE A 48 6.207 6.362 -2.482 1.00 24.34 C ATOM 764 CG2 ILE A 48 8.526 6.381 -1.389 1.00 24.14 C ATOM 765 CD1 ILE A 48 5.636 5.204 -1.669 1.00 14.05 C ATOM 0 H ILE A 48 7.031 6.402 -5.176 1.00 32.15 H new ATOM 0 HA ILE A 48 7.990 8.388 -3.300 1.00 60.22 H new ATOM 0 HB ILE A 48 7.990 5.331 -3.187 1.00 4.34 H new ATOM 0 HG12 ILE A 48 5.979 7.295 -1.968 1.00 24.34 H new ATOM 0 HG13 ILE A 48 5.698 6.396 -3.445 1.00 24.34 H new ATOM 0 HG21 ILE A 48 8.185 5.591 -0.720 1.00 24.14 H new ATOM 0 HG22 ILE A 48 9.593 6.262 -1.576 1.00 24.14 H new ATOM 0 HG23 ILE A 48 8.344 7.351 -0.927 1.00 24.14 H new ATOM 0 HD11 ILE A 48 4.561 5.340 -1.548 1.00 14.05 H new ATOM 0 HD12 ILE A 48 5.827 4.265 -2.189 1.00 14.05 H new ATOM 0 HD13 ILE A 48 6.111 5.179 -0.689 1.00 14.05 H new ATOM 777 N LYS A 49 10.096 6.589 -5.095 1.00 75.23 N ATOM 778 CA LYS A 49 11.506 6.387 -5.506 1.00 72.51 C ATOM 779 C LYS A 49 12.076 7.665 -6.163 1.00 42.22 C ATOM 780 O LYS A 49 13.263 7.984 -6.019 1.00 13.20 O ATOM 781 CB LYS A 49 11.590 5.190 -6.495 1.00 24.54 C ATOM 782 CG LYS A 49 13.011 4.641 -6.758 1.00 51.15 C ATOM 783 CD LYS A 49 13.009 3.433 -7.723 1.00 20.34 C ATOM 784 CE LYS A 49 12.482 3.779 -9.125 1.00 41.35 C ATOM 785 NZ LYS A 49 13.283 4.852 -9.774 1.00 12.42 N ATOM 0 H LYS A 49 9.424 6.117 -5.700 1.00 75.23 H new ATOM 0 HA LYS A 49 12.103 6.169 -4.620 1.00 72.51 H new ATOM 0 HB2 LYS A 49 10.972 4.379 -6.110 1.00 24.54 H new ATOM 0 HB3 LYS A 49 11.156 5.497 -7.447 1.00 24.54 H new ATOM 0 HG2 LYS A 49 13.632 5.434 -7.175 1.00 51.15 H new ATOM 0 HG3 LYS A 49 13.464 4.345 -5.812 1.00 51.15 H new ATOM 0 HD2 LYS A 49 14.023 3.043 -7.809 1.00 20.34 H new ATOM 0 HD3 LYS A 49 12.397 2.638 -7.298 1.00 20.34 H new ATOM 0 HE2 LYS A 49 12.500 2.886 -9.749 1.00 41.35 H new ATOM 0 HE3 LYS A 49 11.442 4.097 -9.053 1.00 41.35 H new ATOM 0 HZ1 LYS A 49 12.970 4.972 -10.758 1.00 12.42 H new ATOM 0 HZ2 LYS A 49 13.150 5.745 -9.257 1.00 12.42 H new ATOM 0 HZ3 LYS A 49 14.289 4.590 -9.760 1.00 12.42 H new ATOM 799 N LYS A 50 11.205 8.379 -6.888 1.00 55.03 N ATOM 800 CA LYS A 50 11.545 9.621 -7.609 1.00 22.31 C ATOM 801 C LYS A 50 11.434 10.830 -6.667 1.00 20.41 C ATOM 802 O LYS A 50 12.251 11.758 -6.721 1.00 12.15 O ATOM 803 CB LYS A 50 10.590 9.764 -8.827 1.00 41.33 C ATOM 804 CG LYS A 50 10.793 11.012 -9.716 1.00 53.31 C ATOM 805 CD LYS A 50 10.164 10.837 -11.124 1.00 1.40 C ATOM 806 CE LYS A 50 8.672 10.452 -11.092 1.00 11.51 C ATOM 807 NZ LYS A 50 8.161 10.151 -12.462 1.00 53.13 N ATOM 0 H LYS A 50 10.227 8.109 -6.994 1.00 55.03 H new ATOM 0 HA LYS A 50 12.574 9.579 -7.966 1.00 22.31 H new ATOM 0 HB2 LYS A 50 10.698 8.878 -9.452 1.00 41.33 H new ATOM 0 HB3 LYS A 50 9.564 9.770 -8.458 1.00 41.33 H new ATOM 0 HG2 LYS A 50 10.350 11.880 -9.227 1.00 53.31 H new ATOM 0 HG3 LYS A 50 11.859 11.213 -9.819 1.00 53.31 H new ATOM 0 HD2 LYS A 50 10.278 11.767 -11.682 1.00 1.40 H new ATOM 0 HD3 LYS A 50 10.717 10.070 -11.666 1.00 1.40 H new ATOM 0 HE2 LYS A 50 8.532 9.582 -10.450 1.00 11.51 H new ATOM 0 HE3 LYS A 50 8.093 11.266 -10.656 1.00 11.51 H new ATOM 0 HZ1 LYS A 50 7.154 9.895 -12.409 1.00 53.13 H new ATOM 0 HZ2 LYS A 50 8.273 10.990 -13.067 1.00 53.13 H new ATOM 0 HZ3 LYS A 50 8.699 9.358 -12.867 1.00 53.13 H new ATOM 821 N GLN A 51 10.410 10.797 -5.798 1.00 61.53 N ATOM 822 CA GLN A 51 10.122 11.858 -4.811 1.00 5.34 C ATOM 823 C GLN A 51 9.857 11.196 -3.451 1.00 5.25 C ATOM 824 O GLN A 51 8.794 10.607 -3.255 1.00 71.51 O ATOM 825 CB GLN A 51 8.887 12.706 -5.259 1.00 74.44 C ATOM 826 CG GLN A 51 9.071 13.461 -6.588 1.00 61.24 C ATOM 827 CD GLN A 51 10.173 14.527 -6.537 1.00 54.05 C ATOM 828 OE1 GLN A 51 10.431 15.140 -5.496 1.00 62.32 O ATOM 829 NE2 GLN A 51 10.838 14.743 -7.656 1.00 54.51 N ATOM 0 H GLN A 51 9.748 10.022 -5.759 1.00 61.53 H new ATOM 0 HA GLN A 51 10.975 12.532 -4.734 1.00 5.34 H new ATOM 0 HB2 GLN A 51 8.024 12.046 -5.348 1.00 74.44 H new ATOM 0 HB3 GLN A 51 8.656 13.428 -4.476 1.00 74.44 H new ATOM 0 HG2 GLN A 51 9.306 12.744 -7.375 1.00 61.24 H new ATOM 0 HG3 GLN A 51 8.129 13.936 -6.861 1.00 61.24 H new ATOM 0 HE21 GLN A 51 10.601 14.220 -8.499 1.00 54.51 H new ATOM 0 HE22 GLN A 51 11.589 15.433 -7.678 1.00 54.51 H new ATOM 838 N GLY A 52 10.840 11.255 -2.540 1.00 14.31 N ATOM 839 CA GLY A 52 10.727 10.629 -1.223 1.00 75.33 C ATOM 840 C GLY A 52 11.965 10.893 -0.376 1.00 32.13 C ATOM 841 O GLY A 52 12.959 10.158 -0.480 1.00 73.11 O ATOM 0 H GLY A 52 11.726 11.735 -2.697 1.00 14.31 H new ATOM 0 HA2 GLY A 52 9.845 11.012 -0.710 1.00 75.33 H new ATOM 0 HA3 GLY A 52 10.586 9.554 -1.340 1.00 75.33 H new ATOM 845 N CYS A 53 11.911 11.964 0.441 1.00 21.25 N ATOM 846 CA CYS A 53 13.044 12.400 1.271 1.00 33.23 C ATOM 847 C CYS A 53 13.270 11.454 2.476 1.00 42.42 C ATOM 848 O CYS A 53 14.252 10.702 2.507 1.00 12.44 O ATOM 849 CB CYS A 53 12.824 13.860 1.735 1.00 2.23 C ATOM 850 SG CYS A 53 12.653 15.050 0.383 1.00 24.52 S ATOM 0 H CYS A 53 11.081 12.548 0.542 1.00 21.25 H new ATOM 0 HA CYS A 53 13.949 12.358 0.665 1.00 33.23 H new ATOM 0 HB2 CYS A 53 11.929 13.901 2.356 1.00 2.23 H new ATOM 0 HB3 CYS A 53 13.662 14.160 2.364 1.00 2.23 H new ATOM 0 HG CYS A 53 12.471 16.240 0.873 1.00 24.52 H new ATOM 856 N LYS A 54 12.345 11.477 3.457 1.00 25.05 N ATOM 857 CA LYS A 54 12.502 10.749 4.736 1.00 30.11 C ATOM 858 C LYS A 54 11.450 9.624 4.857 1.00 71.24 C ATOM 859 O LYS A 54 11.702 8.481 4.461 1.00 43.04 O ATOM 860 CB LYS A 54 12.395 11.745 5.934 1.00 3.41 C ATOM 861 CG LYS A 54 13.432 12.879 5.946 1.00 2.55 C ATOM 862 CD LYS A 54 14.869 12.374 6.195 1.00 25.32 C ATOM 863 CE LYS A 54 15.909 13.500 6.107 1.00 33.13 C ATOM 864 NZ LYS A 54 15.654 14.580 7.097 1.00 15.41 N ATOM 0 H LYS A 54 11.471 11.998 3.387 1.00 25.05 H new ATOM 0 HA LYS A 54 13.489 10.286 4.758 1.00 30.11 H new ATOM 0 HB2 LYS A 54 11.399 12.187 5.928 1.00 3.41 H new ATOM 0 HB3 LYS A 54 12.488 11.181 6.862 1.00 3.41 H new ATOM 0 HG2 LYS A 54 13.397 13.407 4.993 1.00 2.55 H new ATOM 0 HG3 LYS A 54 13.166 13.600 6.719 1.00 2.55 H new ATOM 0 HD2 LYS A 54 14.922 11.910 7.180 1.00 25.32 H new ATOM 0 HD3 LYS A 54 15.111 11.602 5.465 1.00 25.32 H new ATOM 0 HE2 LYS A 54 16.904 13.087 6.271 1.00 33.13 H new ATOM 0 HE3 LYS A 54 15.901 13.922 5.102 1.00 33.13 H new ATOM 0 HZ1 LYS A 54 16.435 15.266 7.071 1.00 15.41 H new ATOM 0 HZ2 LYS A 54 14.762 15.061 6.864 1.00 15.41 H new ATOM 0 HZ3 LYS A 54 15.586 14.169 8.050 1.00 15.41 H new ATOM 878 N ARG A 55 10.257 9.979 5.374 1.00 50.40 N ATOM 879 CA ARG A 55 9.185 9.034 5.726 1.00 55.42 C ATOM 880 C ARG A 55 8.074 9.058 4.665 1.00 34.34 C ATOM 881 O ARG A 55 7.643 10.128 4.215 1.00 31.54 O ATOM 882 CB ARG A 55 8.594 9.370 7.140 1.00 24.53 C ATOM 883 CG ARG A 55 9.449 8.913 8.355 1.00 55.43 C ATOM 884 CD ARG A 55 10.804 9.630 8.457 1.00 50.24 C ATOM 885 NE ARG A 55 11.617 9.170 9.586 1.00 13.10 N ATOM 886 CZ ARG A 55 12.558 9.895 10.211 1.00 11.23 C ATOM 887 NH1 ARG A 55 12.834 11.148 9.838 1.00 21.44 N ATOM 888 NH2 ARG A 55 13.257 9.338 11.183 1.00 34.25 N ATOM 0 H ARG A 55 10.009 10.951 5.561 1.00 50.40 H new ATOM 0 HA ARG A 55 9.612 8.032 5.759 1.00 55.42 H new ATOM 0 HB2 ARG A 55 8.450 10.448 7.206 1.00 24.53 H new ATOM 0 HB3 ARG A 55 7.609 8.911 7.220 1.00 24.53 H new ATOM 0 HG2 ARG A 55 8.885 9.087 9.272 1.00 55.43 H new ATOM 0 HG3 ARG A 55 9.620 7.839 8.285 1.00 55.43 H new ATOM 0 HD2 ARG A 55 11.359 9.477 7.532 1.00 50.24 H new ATOM 0 HD3 ARG A 55 10.634 10.702 8.553 1.00 50.24 H new ATOM 0 HE ARG A 55 11.455 8.222 9.925 1.00 13.10 H new ATOM 0 HH11 ARG A 55 12.325 11.573 9.063 1.00 21.44 H new ATOM 0 HH12 ARG A 55 13.554 11.679 10.328 1.00 21.44 H new ATOM 0 HH21 ARG A 55 13.078 8.370 11.449 1.00 34.25 H new ATOM 0 HH22 ARG A 55 13.976 9.876 11.667 1.00 34.25 H new ATOM 902 N SER A 56 7.604 7.864 4.294 1.00 23.05 N ATOM 903 CA SER A 56 6.527 7.668 3.323 1.00 54.34 C ATOM 904 C SER A 56 5.554 6.618 3.890 1.00 34.44 C ATOM 905 O SER A 56 5.914 5.452 4.066 1.00 35.30 O ATOM 906 CB SER A 56 7.122 7.242 1.961 1.00 31.42 C ATOM 907 OG SER A 56 8.016 8.237 1.465 1.00 62.12 O ATOM 0 H SER A 56 7.970 6.989 4.669 1.00 23.05 H new ATOM 0 HA SER A 56 5.977 8.594 3.153 1.00 54.34 H new ATOM 0 HB2 SER A 56 7.650 6.294 2.070 1.00 31.42 H new ATOM 0 HB3 SER A 56 6.318 7.079 1.243 1.00 31.42 H new ATOM 0 HG SER A 56 8.862 7.816 1.206 1.00 62.12 H new ATOM 913 N ARG A 57 4.346 7.075 4.239 1.00 52.33 N ATOM 914 CA ARG A 57 3.296 6.251 4.855 1.00 11.35 C ATOM 915 C ARG A 57 2.224 5.926 3.816 1.00 32.34 C ATOM 916 O ARG A 57 1.462 6.806 3.441 1.00 3.23 O ATOM 917 CB ARG A 57 2.670 7.051 6.038 1.00 41.04 C ATOM 918 CG ARG A 57 1.409 6.418 6.659 1.00 64.10 C ATOM 919 CD ARG A 57 0.802 7.271 7.783 1.00 41.55 C ATOM 920 NE ARG A 57 1.724 7.422 8.924 1.00 73.50 N ATOM 921 CZ ARG A 57 1.357 7.735 10.180 1.00 43.21 C ATOM 922 NH1 ARG A 57 0.077 7.939 10.499 1.00 74.02 N ATOM 923 NH2 ARG A 57 2.286 7.859 11.119 1.00 41.23 N ATOM 0 H ARG A 57 4.064 8.045 4.099 1.00 52.33 H new ATOM 0 HA ARG A 57 3.718 5.316 5.225 1.00 11.35 H new ATOM 0 HB2 ARG A 57 3.423 7.165 6.818 1.00 41.04 H new ATOM 0 HB3 ARG A 57 2.420 8.052 5.688 1.00 41.04 H new ATOM 0 HG2 ARG A 57 0.662 6.269 5.879 1.00 64.10 H new ATOM 0 HG3 ARG A 57 1.660 5.433 7.053 1.00 64.10 H new ATOM 0 HD2 ARG A 57 0.545 8.256 7.392 1.00 41.55 H new ATOM 0 HD3 ARG A 57 -0.126 6.812 8.125 1.00 41.55 H new ATOM 0 HE ARG A 57 2.718 7.278 8.747 1.00 73.50 H new ATOM 0 HH11 ARG A 57 -0.646 7.859 9.784 1.00 74.02 H new ATOM 0 HH12 ARG A 57 -0.178 8.175 11.458 1.00 74.02 H new ATOM 0 HH21 ARG A 57 3.269 7.717 10.886 1.00 41.23 H new ATOM 0 HH22 ARG A 57 2.017 8.096 12.074 1.00 41.23 H new ATOM 937 N THR A 58 2.160 4.667 3.359 1.00 12.15 N ATOM 938 CA THR A 58 1.074 4.202 2.482 1.00 55.35 C ATOM 939 C THR A 58 0.071 3.406 3.320 1.00 43.52 C ATOM 940 O THR A 58 0.449 2.471 4.038 1.00 30.05 O ATOM 941 CB THR A 58 1.588 3.330 1.294 1.00 1.41 C ATOM 942 OG1 THR A 58 2.526 4.086 0.511 1.00 21.01 O ATOM 943 CG2 THR A 58 0.430 2.853 0.385 1.00 75.42 C ATOM 0 H THR A 58 2.850 3.950 3.583 1.00 12.15 H new ATOM 0 HA THR A 58 0.600 5.079 2.042 1.00 55.35 H new ATOM 0 HB THR A 58 2.070 2.448 1.715 1.00 1.41 H new ATOM 0 HG1 THR A 58 2.849 3.536 -0.233 1.00 21.01 H new ATOM 0 HG21 THR A 58 0.831 2.249 -0.429 1.00 75.42 H new ATOM 0 HG22 THR A 58 -0.269 2.255 0.970 1.00 75.42 H new ATOM 0 HG23 THR A 58 -0.089 3.718 -0.027 1.00 75.42 H new ATOM 951 N SER A 59 -1.192 3.811 3.238 1.00 51.43 N ATOM 952 CA SER A 59 -2.297 3.168 3.931 1.00 24.12 C ATOM 953 C SER A 59 -3.252 2.593 2.866 1.00 35.33 C ATOM 954 O SER A 59 -3.761 3.338 2.024 1.00 12.12 O ATOM 955 CB SER A 59 -2.996 4.212 4.834 1.00 61.34 C ATOM 956 OG SER A 59 -3.966 3.614 5.675 1.00 25.21 O ATOM 0 H SER A 59 -1.479 4.612 2.676 1.00 51.43 H new ATOM 0 HA SER A 59 -1.956 2.353 4.570 1.00 24.12 H new ATOM 0 HB2 SER A 59 -2.251 4.722 5.444 1.00 61.34 H new ATOM 0 HB3 SER A 59 -3.472 4.970 4.212 1.00 61.34 H new ATOM 0 HG SER A 59 -3.559 3.394 6.539 1.00 25.21 H new ATOM 962 N ILE A 60 -3.447 1.267 2.899 1.00 54.24 N ATOM 963 CA ILE A 60 -4.321 0.521 1.968 1.00 62.13 C ATOM 964 C ILE A 60 -5.539 0.024 2.755 1.00 72.02 C ATOM 965 O ILE A 60 -5.364 -0.515 3.849 1.00 34.54 O ATOM 966 CB ILE A 60 -3.558 -0.724 1.356 1.00 62.44 C ATOM 967 CG1 ILE A 60 -2.327 -0.270 0.514 1.00 10.25 C ATOM 968 CG2 ILE A 60 -4.494 -1.642 0.524 1.00 3.20 C ATOM 969 CD1 ILE A 60 -1.507 -1.414 -0.059 1.00 23.55 C ATOM 0 H ILE A 60 -2.994 0.666 3.587 1.00 54.24 H new ATOM 0 HA ILE A 60 -4.622 1.176 1.150 1.00 62.13 H new ATOM 0 HB ILE A 60 -3.198 -1.317 2.197 1.00 62.44 H new ATOM 0 HG12 ILE A 60 -2.674 0.359 -0.306 1.00 10.25 H new ATOM 0 HG13 ILE A 60 -1.682 0.347 1.139 1.00 10.25 H new ATOM 0 HG21 ILE A 60 -3.922 -2.480 0.127 1.00 3.20 H new ATOM 0 HG22 ILE A 60 -5.295 -2.018 1.161 1.00 3.20 H new ATOM 0 HG23 ILE A 60 -4.923 -1.073 -0.300 1.00 3.20 H new ATOM 0 HD11 ILE A 60 -0.671 -1.012 -0.630 1.00 23.55 H new ATOM 0 HD12 ILE A 60 -1.127 -2.032 0.754 1.00 23.55 H new ATOM 0 HD13 ILE A 60 -2.135 -2.020 -0.712 1.00 23.55 H new ATOM 981 N THR A 61 -6.758 0.200 2.211 1.00 62.40 N ATOM 982 CA THR A 61 -7.977 -0.315 2.846 1.00 1.11 C ATOM 983 C THR A 61 -7.944 -1.861 2.897 1.00 73.32 C ATOM 984 O THR A 61 -7.753 -2.528 1.873 1.00 4.40 O ATOM 985 CB THR A 61 -9.261 0.175 2.114 1.00 30.22 C ATOM 986 OG1 THR A 61 -9.277 1.614 2.073 1.00 3.42 O ATOM 987 CG2 THR A 61 -10.553 -0.334 2.784 1.00 33.24 C ATOM 0 H THR A 61 -6.921 0.695 1.334 1.00 62.40 H new ATOM 0 HA THR A 61 -8.009 0.075 3.863 1.00 1.11 H new ATOM 0 HB THR A 61 -9.233 -0.234 1.104 1.00 30.22 H new ATOM 0 HG1 THR A 61 -10.152 1.923 1.757 1.00 3.42 H new ATOM 0 HG21 THR A 61 -11.418 0.036 2.234 1.00 33.24 H new ATOM 0 HG22 THR A 61 -10.560 -1.424 2.780 1.00 33.24 H new ATOM 0 HG23 THR A 61 -10.595 0.025 3.812 1.00 33.24 H new ATOM 995 N ALA A 62 -8.156 -2.388 4.106 1.00 25.44 N ATOM 996 CA ALA A 62 -8.028 -3.801 4.445 1.00 32.53 C ATOM 997 C ALA A 62 -8.910 -4.054 5.672 1.00 1.21 C ATOM 998 O ALA A 62 -8.528 -3.718 6.800 1.00 62.31 O ATOM 999 CB ALA A 62 -6.556 -4.152 4.714 1.00 30.34 C ATOM 0 H ALA A 62 -8.432 -1.816 4.904 1.00 25.44 H new ATOM 0 HA ALA A 62 -8.354 -4.437 3.622 1.00 32.53 H new ATOM 0 HB1 ALA A 62 -6.474 -5.209 4.966 1.00 30.34 H new ATOM 0 HB2 ALA A 62 -5.964 -3.944 3.823 1.00 30.34 H new ATOM 0 HB3 ALA A 62 -6.185 -3.551 5.544 1.00 30.34 H new ATOM 1005 N ARG A 63 -10.110 -4.598 5.426 1.00 73.44 N ATOM 1006 CA ARG A 63 -11.200 -4.653 6.424 1.00 30.32 C ATOM 1007 C ARG A 63 -10.918 -5.692 7.517 1.00 10.12 C ATOM 1008 O ARG A 63 -10.810 -5.360 8.691 1.00 43.45 O ATOM 1009 CB ARG A 63 -12.534 -5.003 5.720 1.00 22.33 C ATOM 1010 CG ARG A 63 -12.840 -4.157 4.470 1.00 71.34 C ATOM 1011 CD ARG A 63 -13.976 -4.762 3.639 1.00 1.32 C ATOM 1012 NE ARG A 63 -13.718 -6.186 3.339 1.00 15.44 N ATOM 1013 CZ ARG A 63 -14.000 -6.816 2.194 1.00 74.53 C ATOM 1014 NH1 ARG A 63 -14.569 -6.180 1.179 1.00 60.51 N ATOM 1015 NH2 ARG A 63 -13.704 -8.101 2.076 1.00 34.35 N ATOM 0 H ARG A 63 -10.358 -5.015 4.529 1.00 73.44 H new ATOM 0 HA ARG A 63 -11.267 -3.673 6.896 1.00 30.32 H new ATOM 0 HB2 ARG A 63 -12.514 -6.055 5.435 1.00 22.33 H new ATOM 0 HB3 ARG A 63 -13.349 -4.881 6.433 1.00 22.33 H new ATOM 0 HG2 ARG A 63 -13.110 -3.145 4.773 1.00 71.34 H new ATOM 0 HG3 ARG A 63 -11.943 -4.077 3.856 1.00 71.34 H new ATOM 0 HD2 ARG A 63 -14.917 -4.666 4.180 1.00 1.32 H new ATOM 0 HD3 ARG A 63 -14.086 -4.205 2.708 1.00 1.32 H new ATOM 0 HE ARG A 63 -13.283 -6.741 4.076 1.00 15.44 H new ATOM 0 HH11 ARG A 63 -14.800 -5.190 1.263 1.00 60.51 H new ATOM 0 HH12 ARG A 63 -14.775 -6.681 0.315 1.00 60.51 H new ATOM 0 HH21 ARG A 63 -13.267 -8.597 2.853 1.00 34.35 H new ATOM 0 HH22 ARG A 63 -13.913 -8.595 1.208 1.00 34.35 H new ATOM 1029 N THR A 64 -10.831 -6.964 7.113 1.00 22.13 N ATOM 1030 CA THR A 64 -10.629 -8.079 8.057 1.00 34.02 C ATOM 1031 C THR A 64 -9.149 -8.476 8.110 1.00 33.22 C ATOM 1032 O THR A 64 -8.314 -7.892 7.406 1.00 51.00 O ATOM 1033 CB THR A 64 -11.517 -9.319 7.693 1.00 2.32 C ATOM 1034 OG1 THR A 64 -11.005 -10.017 6.538 1.00 43.40 O ATOM 1035 CG2 THR A 64 -12.974 -8.904 7.446 1.00 63.42 C ATOM 0 H THR A 64 -10.897 -7.252 6.137 1.00 22.13 H new ATOM 0 HA THR A 64 -10.938 -7.733 9.044 1.00 34.02 H new ATOM 0 HB THR A 64 -11.484 -9.996 8.547 1.00 2.32 H new ATOM 0 HG1 THR A 64 -11.580 -10.785 6.339 1.00 43.40 H new ATOM 0 HG21 THR A 64 -13.566 -9.785 7.196 1.00 63.42 H new ATOM 0 HG22 THR A 64 -13.378 -8.439 8.346 1.00 63.42 H new ATOM 0 HG23 THR A 64 -13.015 -8.193 6.621 1.00 63.42 H new ATOM 1043 N LYS A 65 -8.853 -9.483 8.952 1.00 33.12 N ATOM 1044 CA LYS A 65 -7.499 -10.025 9.159 1.00 32.21 C ATOM 1045 C LYS A 65 -6.944 -10.675 7.862 1.00 41.30 C ATOM 1046 O LYS A 65 -5.726 -10.706 7.653 1.00 22.41 O ATOM 1047 CB LYS A 65 -7.536 -11.044 10.341 1.00 24.24 C ATOM 1048 CG LYS A 65 -6.174 -11.604 10.845 1.00 13.21 C ATOM 1049 CD LYS A 65 -5.286 -10.589 11.637 1.00 5.32 C ATOM 1050 CE LYS A 65 -4.422 -9.664 10.756 1.00 64.11 C ATOM 1051 NZ LYS A 65 -3.506 -10.433 9.885 1.00 41.04 N ATOM 0 H LYS A 65 -9.561 -9.951 9.517 1.00 33.12 H new ATOM 0 HA LYS A 65 -6.821 -9.210 9.412 1.00 32.21 H new ATOM 0 HB2 LYS A 65 -8.036 -10.565 11.183 1.00 24.24 H new ATOM 0 HB3 LYS A 65 -8.157 -11.888 10.039 1.00 24.24 H new ATOM 0 HG2 LYS A 65 -6.368 -12.466 11.483 1.00 13.21 H new ATOM 0 HG3 LYS A 65 -5.608 -11.964 9.986 1.00 13.21 H new ATOM 0 HD2 LYS A 65 -5.932 -9.973 12.262 1.00 5.32 H new ATOM 0 HD3 LYS A 65 -4.631 -11.146 12.307 1.00 5.32 H new ATOM 0 HE2 LYS A 65 -5.069 -9.039 10.141 1.00 64.11 H new ATOM 0 HE3 LYS A 65 -3.843 -8.994 11.391 1.00 64.11 H new ATOM 0 HZ1 LYS A 65 -2.547 -10.415 10.288 1.00 41.04 H new ATOM 0 HZ2 LYS A 65 -3.835 -11.417 9.818 1.00 41.04 H new ATOM 0 HZ3 LYS A 65 -3.491 -10.008 8.936 1.00 41.04 H new ATOM 1065 N LYS A 66 -7.859 -11.157 6.988 1.00 74.14 N ATOM 1066 CA LYS A 66 -7.504 -11.767 5.683 1.00 24.45 C ATOM 1067 C LYS A 66 -6.997 -10.688 4.703 1.00 42.14 C ATOM 1068 O LYS A 66 -5.908 -10.832 4.126 1.00 11.33 O ATOM 1069 CB LYS A 66 -8.729 -12.512 5.075 1.00 1.23 C ATOM 1070 CG LYS A 66 -9.282 -13.660 5.950 1.00 21.21 C ATOM 1071 CD LYS A 66 -10.478 -14.383 5.289 1.00 24.45 C ATOM 1072 CE LYS A 66 -11.042 -15.531 6.146 1.00 15.22 C ATOM 1073 NZ LYS A 66 -10.035 -16.598 6.399 1.00 32.51 N ATOM 0 H LYS A 66 -8.863 -11.134 7.167 1.00 74.14 H new ATOM 0 HA LYS A 66 -6.706 -12.490 5.850 1.00 24.45 H new ATOM 0 HB2 LYS A 66 -9.526 -11.790 4.899 1.00 1.23 H new ATOM 0 HB3 LYS A 66 -8.446 -12.917 4.103 1.00 1.23 H new ATOM 0 HG2 LYS A 66 -8.487 -14.381 6.143 1.00 21.21 H new ATOM 0 HG3 LYS A 66 -9.592 -13.260 6.916 1.00 21.21 H new ATOM 0 HD2 LYS A 66 -11.270 -13.659 5.096 1.00 24.45 H new ATOM 0 HD3 LYS A 66 -10.166 -14.779 4.323 1.00 24.45 H new ATOM 0 HE2 LYS A 66 -11.392 -15.132 7.098 1.00 15.22 H new ATOM 0 HE3 LYS A 66 -11.908 -15.964 5.645 1.00 15.22 H new ATOM 0 HZ1 LYS A 66 -10.489 -17.394 6.892 1.00 32.51 H new ATOM 0 HZ2 LYS A 66 -9.645 -16.929 5.494 1.00 32.51 H new ATOM 0 HZ3 LYS A 66 -9.267 -16.218 6.989 1.00 32.51 H new ATOM 1087 N GLU A 67 -7.794 -9.600 4.541 1.00 3.42 N ATOM 1088 CA GLU A 67 -7.404 -8.429 3.714 1.00 31.13 C ATOM 1089 C GLU A 67 -6.109 -7.797 4.249 1.00 64.30 C ATOM 1090 O GLU A 67 -5.255 -7.347 3.471 1.00 52.13 O ATOM 1091 CB GLU A 67 -8.520 -7.340 3.633 1.00 40.33 C ATOM 1092 CG GLU A 67 -9.780 -7.720 2.823 1.00 71.41 C ATOM 1093 CD GLU A 67 -10.750 -8.641 3.582 1.00 55.30 C ATOM 1094 OE1 GLU A 67 -11.651 -8.119 4.281 1.00 63.55 O ATOM 1095 OE2 GLU A 67 -10.619 -9.881 3.501 1.00 53.42 O ATOM 0 H GLU A 67 -8.713 -9.510 4.974 1.00 3.42 H new ATOM 0 HA GLU A 67 -7.245 -8.808 2.705 1.00 31.13 H new ATOM 0 HB2 GLU A 67 -8.827 -7.087 4.648 1.00 40.33 H new ATOM 0 HB3 GLU A 67 -8.090 -6.439 3.196 1.00 40.33 H new ATOM 0 HG2 GLU A 67 -10.306 -6.809 2.538 1.00 71.41 H new ATOM 0 HG3 GLU A 67 -9.473 -8.212 1.900 1.00 71.41 H new ATOM 1102 N ALA A 68 -5.981 -7.804 5.588 1.00 64.04 N ATOM 1103 CA ALA A 68 -4.809 -7.278 6.293 1.00 64.33 C ATOM 1104 C ALA A 68 -3.521 -7.992 5.853 1.00 53.41 C ATOM 1105 O ALA A 68 -2.542 -7.340 5.511 1.00 53.00 O ATOM 1106 CB ALA A 68 -5.009 -7.382 7.811 1.00 20.44 C ATOM 0 H ALA A 68 -6.696 -8.179 6.212 1.00 64.04 H new ATOM 0 HA ALA A 68 -4.700 -6.226 6.031 1.00 64.33 H new ATOM 0 HB1 ALA A 68 -4.130 -6.988 8.322 1.00 20.44 H new ATOM 0 HB2 ALA A 68 -5.887 -6.806 8.103 1.00 20.44 H new ATOM 0 HB3 ALA A 68 -5.152 -8.426 8.089 1.00 20.44 H new ATOM 1112 N GLU A 69 -3.571 -9.332 5.819 1.00 34.13 N ATOM 1113 CA GLU A 69 -2.439 -10.179 5.397 1.00 4.11 C ATOM 1114 C GLU A 69 -2.050 -9.933 3.928 1.00 22.24 C ATOM 1115 O GLU A 69 -0.915 -9.532 3.627 1.00 71.40 O ATOM 1116 CB GLU A 69 -2.799 -11.679 5.605 1.00 10.40 C ATOM 1117 CG GLU A 69 -2.866 -12.123 7.075 1.00 34.22 C ATOM 1118 CD GLU A 69 -1.499 -12.075 7.781 1.00 34.11 C ATOM 1119 OE1 GLU A 69 -0.760 -13.082 7.729 1.00 23.51 O ATOM 1120 OE2 GLU A 69 -1.156 -11.034 8.382 1.00 13.03 O ATOM 0 H GLU A 69 -4.400 -9.864 6.084 1.00 34.13 H new ATOM 0 HA GLU A 69 -1.580 -9.914 6.013 1.00 4.11 H new ATOM 0 HB2 GLU A 69 -3.763 -11.876 5.135 1.00 10.40 H new ATOM 0 HB3 GLU A 69 -2.061 -12.291 5.087 1.00 10.40 H new ATOM 0 HG2 GLU A 69 -3.568 -11.483 7.610 1.00 34.22 H new ATOM 0 HG3 GLU A 69 -3.259 -13.139 7.124 1.00 34.22 H new ATOM 1127 N LYS A 70 -3.024 -10.141 3.033 1.00 25.03 N ATOM 1128 CA LYS A 70 -2.785 -10.211 1.584 1.00 32.54 C ATOM 1129 C LYS A 70 -2.314 -8.858 0.988 1.00 3.34 C ATOM 1130 O LYS A 70 -1.467 -8.838 0.082 1.00 14.20 O ATOM 1131 CB LYS A 70 -4.067 -10.744 0.877 1.00 0.22 C ATOM 1132 CG LYS A 70 -5.313 -9.837 0.986 1.00 5.11 C ATOM 1133 CD LYS A 70 -6.629 -10.528 0.543 1.00 74.10 C ATOM 1134 CE LYS A 70 -6.571 -11.100 -0.881 1.00 2.50 C ATOM 1135 NZ LYS A 70 -6.321 -10.057 -1.903 1.00 3.32 N ATOM 0 H LYS A 70 -4.002 -10.266 3.293 1.00 25.03 H new ATOM 0 HA LYS A 70 -1.964 -10.906 1.406 1.00 32.54 H new ATOM 0 HB2 LYS A 70 -3.842 -10.897 -0.178 1.00 0.22 H new ATOM 0 HB3 LYS A 70 -4.312 -11.720 1.295 1.00 0.22 H new ATOM 0 HG2 LYS A 70 -5.418 -9.502 2.018 1.00 5.11 H new ATOM 0 HG3 LYS A 70 -5.158 -8.947 0.377 1.00 5.11 H new ATOM 0 HD2 LYS A 70 -6.860 -11.333 1.240 1.00 74.10 H new ATOM 0 HD3 LYS A 70 -7.446 -9.809 0.604 1.00 74.10 H new ATOM 0 HE2 LYS A 70 -5.784 -11.852 -0.935 1.00 2.50 H new ATOM 0 HE3 LYS A 70 -7.511 -11.605 -1.105 1.00 2.50 H new ATOM 0 HZ1 LYS A 70 -6.207 -10.504 -2.835 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 -7.126 -9.399 -1.931 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 -5.455 -9.535 -1.661 1.00 3.32 H new ATOM 1149 N PHE A 71 -2.843 -7.736 1.522 1.00 71.24 N ATOM 1150 CA PHE A 71 -2.508 -6.372 1.034 1.00 2.24 C ATOM 1151 C PHE A 71 -1.210 -5.844 1.674 1.00 51.52 C ATOM 1152 O PHE A 71 -0.469 -5.069 1.040 1.00 20.34 O ATOM 1153 CB PHE A 71 -3.684 -5.387 1.287 1.00 21.45 C ATOM 1154 CG PHE A 71 -5.002 -5.741 0.567 1.00 51.53 C ATOM 1155 CD1 PHE A 71 -5.019 -6.512 -0.606 1.00 12.33 C ATOM 1156 CD2 PHE A 71 -6.226 -5.296 1.067 1.00 53.15 C ATOM 1157 CE1 PHE A 71 -6.213 -6.811 -1.245 1.00 42.45 C ATOM 1158 CE2 PHE A 71 -7.415 -5.598 0.423 1.00 60.35 C ATOM 1159 CZ PHE A 71 -7.408 -6.357 -0.726 1.00 12.44 C ATOM 0 H PHE A 71 -3.508 -7.744 2.296 1.00 71.24 H new ATOM 0 HA PHE A 71 -2.343 -6.442 -0.041 1.00 2.24 H new ATOM 0 HB2 PHE A 71 -3.875 -5.342 2.359 1.00 21.45 H new ATOM 0 HB3 PHE A 71 -3.375 -4.389 0.976 1.00 21.45 H new ATOM 0 HD1 PHE A 71 -4.089 -6.877 -1.017 1.00 12.33 H new ATOM 0 HD2 PHE A 71 -6.247 -4.706 1.971 1.00 53.15 H new ATOM 0 HE1 PHE A 71 -6.207 -7.400 -2.150 1.00 42.45 H new ATOM 0 HE2 PHE A 71 -8.351 -5.237 0.824 1.00 60.35 H new ATOM 0 HZ PHE A 71 -8.338 -6.597 -1.221 1.00 12.44 H new ATOM 1169 N ALA A 72 -0.939 -6.275 2.929 1.00 4.00 N ATOM 1170 CA ALA A 72 0.306 -5.921 3.641 1.00 64.12 C ATOM 1171 C ALA A 72 1.526 -6.483 2.907 1.00 23.53 C ATOM 1172 O ALA A 72 2.465 -5.752 2.632 1.00 62.30 O ATOM 1173 CB ALA A 72 0.292 -6.421 5.095 1.00 71.14 C ATOM 0 H ALA A 72 -1.569 -6.869 3.468 1.00 4.00 H new ATOM 0 HA ALA A 72 0.370 -4.833 3.660 1.00 64.12 H new ATOM 0 HB1 ALA A 72 1.225 -6.141 5.585 1.00 71.14 H new ATOM 0 HB2 ALA A 72 -0.546 -5.971 5.626 1.00 71.14 H new ATOM 0 HB3 ALA A 72 0.188 -7.506 5.106 1.00 71.14 H new ATOM 1179 N ALA A 73 1.449 -7.784 2.549 1.00 1.43 N ATOM 1180 CA ALA A 73 2.555 -8.534 1.901 1.00 12.01 C ATOM 1181 C ALA A 73 3.141 -7.784 0.680 1.00 52.32 C ATOM 1182 O ALA A 73 4.357 -7.570 0.589 1.00 62.14 O ATOM 1183 CB ALA A 73 2.052 -9.923 1.477 1.00 71.12 C ATOM 0 H ALA A 73 0.614 -8.349 2.701 1.00 1.43 H new ATOM 0 HA ALA A 73 3.359 -8.633 2.630 1.00 12.01 H new ATOM 0 HB1 ALA A 73 2.863 -10.474 1.001 1.00 71.12 H new ATOM 0 HB2 ALA A 73 1.708 -10.469 2.355 1.00 71.12 H new ATOM 0 HB3 ALA A 73 1.227 -9.812 0.773 1.00 71.12 H new ATOM 1189 N ILE A 74 2.226 -7.334 -0.201 1.00 11.34 N ATOM 1190 CA ILE A 74 2.563 -6.625 -1.452 1.00 42.24 C ATOM 1191 C ILE A 74 3.229 -5.260 -1.145 1.00 63.31 C ATOM 1192 O ILE A 74 4.223 -4.889 -1.773 1.00 73.13 O ATOM 1193 CB ILE A 74 1.272 -6.402 -2.342 1.00 44.20 C ATOM 1194 CG1 ILE A 74 0.486 -7.741 -2.535 1.00 43.35 C ATOM 1195 CG2 ILE A 74 1.637 -5.773 -3.715 1.00 4.33 C ATOM 1196 CD1 ILE A 74 -0.836 -7.608 -3.281 1.00 71.34 C ATOM 0 H ILE A 74 1.222 -7.453 -0.063 1.00 11.34 H new ATOM 0 HA ILE A 74 3.267 -7.246 -2.006 1.00 42.24 H new ATOM 0 HB ILE A 74 0.624 -5.702 -1.815 1.00 44.20 H new ATOM 0 HG12 ILE A 74 1.121 -8.444 -3.074 1.00 43.35 H new ATOM 0 HG13 ILE A 74 0.291 -8.175 -1.554 1.00 43.35 H new ATOM 0 HG21 ILE A 74 0.730 -5.632 -4.303 1.00 4.33 H new ATOM 0 HG22 ILE A 74 2.120 -4.809 -3.557 1.00 4.33 H new ATOM 0 HG23 ILE A 74 2.317 -6.436 -4.250 1.00 4.33 H new ATOM 0 HD11 ILE A 74 -1.306 -8.588 -3.365 1.00 71.34 H new ATOM 0 HD12 ILE A 74 -1.496 -6.934 -2.735 1.00 71.34 H new ATOM 0 HD13 ILE A 74 -0.653 -7.207 -4.278 1.00 71.34 H new ATOM 1208 N LEU A 75 2.689 -4.549 -0.131 1.00 3.34 N ATOM 1209 CA LEU A 75 3.150 -3.194 0.249 1.00 1.10 C ATOM 1210 C LEU A 75 4.520 -3.239 0.983 1.00 12.33 C ATOM 1211 O LEU A 75 5.332 -2.299 0.873 1.00 21.44 O ATOM 1212 CB LEU A 75 2.069 -2.493 1.118 1.00 72.21 C ATOM 1213 CG LEU A 75 2.326 -0.990 1.459 1.00 63.53 C ATOM 1214 CD1 LEU A 75 2.585 -0.153 0.185 1.00 72.42 C ATOM 1215 CD2 LEU A 75 1.160 -0.405 2.299 1.00 42.11 C ATOM 0 H LEU A 75 1.923 -4.896 0.446 1.00 3.34 H new ATOM 0 HA LEU A 75 3.298 -2.614 -0.662 1.00 1.10 H new ATOM 0 HB2 LEU A 75 1.112 -2.568 0.601 1.00 72.21 H new ATOM 0 HB3 LEU A 75 1.971 -3.044 2.053 1.00 72.21 H new ATOM 0 HG LEU A 75 3.231 -0.937 2.064 1.00 63.53 H new ATOM 0 HD11 LEU A 75 2.759 0.887 0.462 1.00 72.42 H new ATOM 0 HD12 LEU A 75 3.461 -0.542 -0.334 1.00 72.42 H new ATOM 0 HD13 LEU A 75 1.717 -0.213 -0.472 1.00 72.42 H new ATOM 0 HD21 LEU A 75 1.363 0.642 2.523 1.00 42.11 H new ATOM 0 HD22 LEU A 75 0.231 -0.482 1.735 1.00 42.11 H new ATOM 0 HD23 LEU A 75 1.066 -0.964 3.230 1.00 42.11 H new ATOM 1227 N ILE A 76 4.773 -4.350 1.706 1.00 2.35 N ATOM 1228 CA ILE A 76 6.076 -4.627 2.347 1.00 30.10 C ATOM 1229 C ILE A 76 7.142 -4.828 1.242 1.00 22.15 C ATOM 1230 O ILE A 76 8.256 -4.318 1.364 1.00 15.05 O ATOM 1231 CB ILE A 76 5.992 -5.881 3.342 1.00 74.51 C ATOM 1232 CG1 ILE A 76 5.571 -5.458 4.798 1.00 44.53 C ATOM 1233 CG2 ILE A 76 7.314 -6.694 3.407 1.00 43.54 C ATOM 1234 CD1 ILE A 76 4.238 -4.745 4.931 1.00 71.22 C ATOM 0 H ILE A 76 4.079 -5.081 1.862 1.00 2.35 H new ATOM 0 HA ILE A 76 6.364 -3.776 2.965 1.00 30.10 H new ATOM 0 HB ILE A 76 5.218 -6.523 2.921 1.00 74.51 H new ATOM 0 HG12 ILE A 76 5.544 -6.353 5.420 1.00 44.53 H new ATOM 0 HG13 ILE A 76 6.348 -4.810 5.204 1.00 44.53 H new ATOM 0 HG21 ILE A 76 7.194 -7.529 4.097 1.00 43.54 H new ATOM 0 HG22 ILE A 76 7.556 -7.075 2.415 1.00 43.54 H new ATOM 0 HG23 ILE A 76 8.121 -6.049 3.755 1.00 43.54 H new ATOM 0 HD11 ILE A 76 4.057 -4.504 5.979 1.00 71.22 H new ATOM 0 HD12 ILE A 76 4.257 -3.826 4.345 1.00 71.22 H new ATOM 0 HD13 ILE A 76 3.441 -5.392 4.565 1.00 71.22 H new ATOM 1246 N LYS A 77 6.757 -5.539 0.151 1.00 61.21 N ATOM 1247 CA LYS A 77 7.631 -5.739 -1.032 1.00 24.14 C ATOM 1248 C LYS A 77 7.953 -4.401 -1.741 1.00 42.23 C ATOM 1249 O LYS A 77 9.092 -4.188 -2.165 1.00 31.24 O ATOM 1250 CB LYS A 77 6.987 -6.722 -2.042 1.00 23.13 C ATOM 1251 CG LYS A 77 6.754 -8.135 -1.481 1.00 34.23 C ATOM 1252 CD LYS A 77 6.132 -9.095 -2.518 1.00 74.21 C ATOM 1253 CE LYS A 77 7.047 -9.333 -3.727 1.00 61.34 C ATOM 1254 NZ LYS A 77 6.450 -10.285 -4.703 1.00 22.11 N ATOM 0 H LYS A 77 5.843 -5.984 0.067 1.00 61.21 H new ATOM 0 HA LYS A 77 8.564 -6.166 -0.665 1.00 24.14 H new ATOM 0 HB2 LYS A 77 6.033 -6.312 -2.373 1.00 23.13 H new ATOM 0 HB3 LYS A 77 7.626 -6.793 -2.922 1.00 23.13 H new ATOM 0 HG2 LYS A 77 7.703 -8.545 -1.136 1.00 34.23 H new ATOM 0 HG3 LYS A 77 6.099 -8.073 -0.612 1.00 34.23 H new ATOM 0 HD2 LYS A 77 5.914 -10.049 -2.039 1.00 74.21 H new ATOM 0 HD3 LYS A 77 5.182 -8.686 -2.861 1.00 74.21 H new ATOM 0 HE2 LYS A 77 7.246 -8.383 -4.223 1.00 61.34 H new ATOM 0 HE3 LYS A 77 8.006 -9.720 -3.384 1.00 61.34 H new ATOM 0 HZ1 LYS A 77 7.102 -10.416 -5.503 1.00 22.11 H new ATOM 0 HZ2 LYS A 77 6.284 -11.200 -4.238 1.00 22.11 H new ATOM 0 HZ3 LYS A 77 5.547 -9.905 -5.051 1.00 22.11 H new ATOM 1268 N VAL A 78 6.940 -3.511 -1.838 1.00 53.10 N ATOM 1269 CA VAL A 78 7.089 -2.158 -2.424 1.00 20.15 C ATOM 1270 C VAL A 78 8.205 -1.383 -1.694 1.00 13.24 C ATOM 1271 O VAL A 78 9.174 -0.941 -2.318 1.00 24.04 O ATOM 1272 CB VAL A 78 5.717 -1.361 -2.379 1.00 25.12 C ATOM 1273 CG1 VAL A 78 5.879 0.129 -2.775 1.00 74.32 C ATOM 1274 CG2 VAL A 78 4.654 -2.050 -3.273 1.00 31.53 C ATOM 0 H VAL A 78 5.994 -3.710 -1.512 1.00 53.10 H new ATOM 0 HA VAL A 78 7.371 -2.265 -3.471 1.00 20.15 H new ATOM 0 HB VAL A 78 5.376 -1.379 -1.344 1.00 25.12 H new ATOM 0 HG11 VAL A 78 4.910 0.626 -2.727 1.00 74.32 H new ATOM 0 HG12 VAL A 78 6.571 0.615 -2.087 1.00 74.32 H new ATOM 0 HG13 VAL A 78 6.271 0.195 -3.790 1.00 74.32 H new ATOM 0 HG21 VAL A 78 3.721 -1.488 -3.228 1.00 31.53 H new ATOM 0 HG22 VAL A 78 5.010 -2.081 -4.303 1.00 31.53 H new ATOM 0 HG23 VAL A 78 4.483 -3.066 -2.917 1.00 31.53 H new ATOM 1284 N TYR A 79 8.087 -1.304 -0.360 1.00 11.22 N ATOM 1285 CA TYR A 79 9.069 -0.604 0.497 1.00 30.24 C ATOM 1286 C TYR A 79 10.396 -1.388 0.650 1.00 53.01 C ATOM 1287 O TYR A 79 11.417 -0.802 1.028 1.00 41.15 O ATOM 1288 CB TYR A 79 8.438 -0.265 1.877 1.00 65.43 C ATOM 1289 CG TYR A 79 7.486 0.940 1.833 1.00 51.43 C ATOM 1290 CD1 TYR A 79 7.994 2.227 1.640 1.00 23.04 C ATOM 1291 CD2 TYR A 79 6.101 0.805 1.974 1.00 40.23 C ATOM 1292 CE1 TYR A 79 7.166 3.326 1.591 1.00 74.12 C ATOM 1293 CE2 TYR A 79 5.266 1.910 1.925 1.00 71.22 C ATOM 1294 CZ TYR A 79 5.805 3.164 1.733 1.00 44.51 C ATOM 1295 OH TYR A 79 4.982 4.267 1.691 1.00 53.33 O ATOM 0 H TYR A 79 7.313 -1.720 0.158 1.00 11.22 H new ATOM 0 HA TYR A 79 9.330 0.329 -0.002 1.00 30.24 H new ATOM 0 HB2 TYR A 79 7.894 -1.136 2.243 1.00 65.43 H new ATOM 0 HB3 TYR A 79 9.235 -0.063 2.593 1.00 65.43 H new ATOM 0 HD1 TYR A 79 9.059 2.363 1.527 1.00 23.04 H new ATOM 0 HD2 TYR A 79 5.675 -0.176 2.123 1.00 40.23 H new ATOM 0 HE1 TYR A 79 7.582 4.312 1.442 1.00 74.12 H new ATOM 0 HE2 TYR A 79 4.199 1.789 2.037 1.00 71.22 H new ATOM 0 HH TYR A 79 4.152 4.038 1.222 1.00 53.33 H new ATOM 1305 N ALA A 80 10.374 -2.697 0.345 1.00 33.22 N ATOM 1306 CA ALA A 80 11.584 -3.552 0.362 1.00 45.11 C ATOM 1307 C ALA A 80 12.486 -3.247 -0.846 1.00 24.21 C ATOM 1308 O ALA A 80 13.719 -3.320 -0.758 1.00 1.42 O ATOM 1309 CB ALA A 80 11.194 -5.039 0.383 1.00 55.01 C ATOM 0 H ALA A 80 9.524 -3.195 0.080 1.00 33.22 H new ATOM 0 HA ALA A 80 12.145 -3.330 1.270 1.00 45.11 H new ATOM 0 HB1 ALA A 80 12.096 -5.651 0.395 1.00 55.01 H new ATOM 0 HB2 ALA A 80 10.602 -5.247 1.274 1.00 55.01 H new ATOM 0 HB3 ALA A 80 10.608 -5.274 -0.505 1.00 55.01 H new ATOM 1315 N GLU A 81 11.844 -2.913 -1.979 1.00 51.33 N ATOM 1316 CA GLU A 81 12.534 -2.494 -3.214 1.00 45.41 C ATOM 1317 C GLU A 81 12.990 -1.029 -3.101 1.00 24.34 C ATOM 1318 O GLU A 81 14.061 -0.661 -3.597 1.00 62.11 O ATOM 1319 CB GLU A 81 11.596 -2.693 -4.431 1.00 71.11 C ATOM 1320 CG GLU A 81 11.153 -4.153 -4.640 1.00 52.31 C ATOM 1321 CD GLU A 81 10.173 -4.310 -5.807 1.00 32.33 C ATOM 1322 OE1 GLU A 81 10.630 -4.422 -6.970 1.00 13.14 O ATOM 1323 OE2 GLU A 81 8.939 -4.299 -5.581 1.00 33.41 O ATOM 0 H GLU A 81 10.828 -2.926 -2.065 1.00 51.33 H new ATOM 0 HA GLU A 81 13.421 -3.111 -3.357 1.00 45.41 H new ATOM 0 HB2 GLU A 81 10.711 -2.069 -4.302 1.00 71.11 H new ATOM 0 HB3 GLU A 81 12.104 -2.345 -5.330 1.00 71.11 H new ATOM 0 HG2 GLU A 81 12.031 -4.773 -4.822 1.00 52.31 H new ATOM 0 HG3 GLU A 81 10.686 -4.522 -3.726 1.00 52.31 H new ATOM 1330 N LEU A 82 12.164 -0.205 -2.425 1.00 13.10 N ATOM 1331 CA LEU A 82 12.478 1.215 -2.150 1.00 62.02 C ATOM 1332 C LEU A 82 13.615 1.349 -1.121 1.00 55.34 C ATOM 1333 O LEU A 82 14.384 2.318 -1.154 1.00 3.31 O ATOM 1334 CB LEU A 82 11.209 1.952 -1.632 1.00 41.23 C ATOM 1335 CG LEU A 82 10.051 2.087 -2.662 1.00 25.12 C ATOM 1336 CD1 LEU A 82 8.769 2.658 -2.019 1.00 3.34 C ATOM 1337 CD2 LEU A 82 10.504 2.924 -3.866 1.00 63.53 C ATOM 0 H LEU A 82 11.262 -0.503 -2.054 1.00 13.10 H new ATOM 0 HA LEU A 82 12.809 1.671 -3.083 1.00 62.02 H new ATOM 0 HB2 LEU A 82 10.834 1.423 -0.756 1.00 41.23 H new ATOM 0 HB3 LEU A 82 11.498 2.950 -1.302 1.00 41.23 H new ATOM 0 HG LEU A 82 9.799 1.088 -3.017 1.00 25.12 H new ATOM 0 HD11 LEU A 82 7.987 2.735 -2.774 1.00 3.34 H new ATOM 0 HD12 LEU A 82 8.437 1.996 -1.219 1.00 3.34 H new ATOM 0 HD13 LEU A 82 8.977 3.646 -1.609 1.00 3.34 H new ATOM 0 HD21 LEU A 82 9.684 3.010 -4.579 1.00 63.53 H new ATOM 0 HD22 LEU A 82 10.797 3.918 -3.528 1.00 63.53 H new ATOM 0 HD23 LEU A 82 11.353 2.439 -4.347 1.00 63.53 H new ATOM 1349 N GLY A 83 13.734 0.345 -0.240 1.00 1.30 N ATOM 1350 CA GLY A 83 14.728 0.349 0.827 1.00 72.04 C ATOM 1351 C GLY A 83 14.997 -1.054 1.337 1.00 33.22 C ATOM 1352 O GLY A 83 14.076 -1.742 1.787 1.00 22.24 O ATOM 0 H GLY A 83 13.143 -0.486 -0.252 1.00 1.30 H new ATOM 0 HA2 GLY A 83 15.656 0.789 0.461 1.00 72.04 H new ATOM 0 HA3 GLY A 83 14.380 0.976 1.648 1.00 72.04 H new ATOM 1403 N ILE A 87 11.107 -3.645 7.322 1.00 5.13 N ATOM 1404 CA ILE A 87 9.832 -2.917 7.149 1.00 0.45 C ATOM 1405 C ILE A 87 8.999 -3.007 8.442 1.00 63.15 C ATOM 1406 O ILE A 87 9.108 -3.987 9.181 1.00 53.01 O ATOM 1407 CB ILE A 87 9.001 -3.490 5.927 1.00 64.34 C ATOM 1408 CG1 ILE A 87 9.893 -3.652 4.653 1.00 4.14 C ATOM 1409 CG2 ILE A 87 7.777 -2.598 5.609 1.00 71.32 C ATOM 1410 CD1 ILE A 87 10.552 -2.372 4.158 1.00 61.32 C ATOM 0 HA ILE A 87 10.064 -1.873 6.937 1.00 0.45 H new ATOM 0 HB ILE A 87 8.642 -4.476 6.222 1.00 64.34 H new ATOM 0 HG12 ILE A 87 10.672 -4.385 4.865 1.00 4.14 H new ATOM 0 HG13 ILE A 87 9.281 -4.061 3.849 1.00 4.14 H new ATOM 0 HG21 ILE A 87 7.229 -3.019 4.766 1.00 71.32 H new ATOM 0 HG22 ILE A 87 7.124 -2.553 6.480 1.00 71.32 H new ATOM 0 HG23 ILE A 87 8.115 -1.593 5.356 1.00 71.32 H new ATOM 0 HD11 ILE A 87 11.148 -2.589 3.272 1.00 61.32 H new ATOM 0 HD12 ILE A 87 9.784 -1.640 3.908 1.00 61.32 H new ATOM 0 HD13 ILE A 87 11.197 -1.969 4.939 1.00 61.32 H new ATOM 1422 N ASN A 88 8.183 -1.975 8.728 1.00 62.43 N ATOM 1423 CA ASN A 88 7.208 -2.012 9.833 1.00 50.50 C ATOM 1424 C ASN A 88 5.788 -1.932 9.251 1.00 41.43 C ATOM 1425 O ASN A 88 5.495 -1.051 8.430 1.00 12.45 O ATOM 1426 CB ASN A 88 7.447 -0.857 10.829 1.00 31.34 C ATOM 1427 CG ASN A 88 6.617 -0.987 12.112 1.00 32.24 C ATOM 1428 OD1 ASN A 88 5.489 -0.505 12.193 1.00 41.23 O ATOM 1429 ND2 ASN A 88 7.171 -1.645 13.125 1.00 65.33 N ATOM 0 H ASN A 88 8.181 -1.100 8.204 1.00 62.43 H new ATOM 0 HA ASN A 88 7.330 -2.947 10.380 1.00 50.50 H new ATOM 0 HB2 ASN A 88 8.505 -0.823 11.090 1.00 31.34 H new ATOM 0 HB3 ASN A 88 7.208 0.089 10.343 1.00 31.34 H new ATOM 0 HD21 ASN A 88 6.658 -1.761 13.999 1.00 65.33 H new ATOM 0 HD22 ASN A 88 8.109 -2.034 13.028 1.00 65.33 H new ATOM 1436 N VAL A 89 4.931 -2.857 9.685 1.00 73.53 N ATOM 1437 CA VAL A 89 3.521 -2.940 9.274 1.00 21.22 C ATOM 1438 C VAL A 89 2.626 -2.729 10.510 1.00 34.43 C ATOM 1439 O VAL A 89 2.980 -3.147 11.621 1.00 5.11 O ATOM 1440 CB VAL A 89 3.221 -4.331 8.590 1.00 64.44 C ATOM 1441 CG1 VAL A 89 3.624 -5.509 9.496 1.00 4.44 C ATOM 1442 CG2 VAL A 89 1.745 -4.452 8.138 1.00 33.53 C ATOM 0 H VAL A 89 5.199 -3.586 10.346 1.00 73.53 H new ATOM 0 HA VAL A 89 3.309 -2.162 8.540 1.00 21.22 H new ATOM 0 HB VAL A 89 3.838 -4.378 7.693 1.00 64.44 H new ATOM 0 HG11 VAL A 89 3.402 -6.449 8.991 1.00 4.44 H new ATOM 0 HG12 VAL A 89 4.691 -5.455 9.710 1.00 4.44 H new ATOM 0 HG13 VAL A 89 3.064 -5.458 10.430 1.00 4.44 H new ATOM 0 HG21 VAL A 89 1.585 -5.425 7.673 1.00 33.53 H new ATOM 0 HG22 VAL A 89 1.090 -4.352 9.003 1.00 33.53 H new ATOM 0 HG23 VAL A 89 1.519 -3.665 7.419 1.00 33.53 H new ATOM 1452 N THR A 90 1.496 -2.038 10.317 1.00 24.43 N ATOM 1453 CA THR A 90 0.473 -1.835 11.354 1.00 72.32 C ATOM 1454 C THR A 90 -0.917 -1.898 10.696 1.00 21.53 C ATOM 1455 O THR A 90 -1.129 -1.305 9.641 1.00 73.12 O ATOM 1456 CB THR A 90 0.668 -0.454 12.081 1.00 1.35 C ATOM 1457 OG1 THR A 90 1.972 -0.395 12.694 1.00 51.33 O ATOM 1458 CG2 THR A 90 -0.410 -0.198 13.161 1.00 73.13 C ATOM 0 H THR A 90 1.262 -1.598 9.427 1.00 24.43 H new ATOM 0 HA THR A 90 0.567 -2.619 12.106 1.00 72.32 H new ATOM 0 HB THR A 90 0.572 0.320 11.320 1.00 1.35 H new ATOM 0 HG1 THR A 90 2.084 0.469 13.142 1.00 51.33 H new ATOM 0 HG21 THR A 90 -0.230 0.768 13.633 1.00 73.13 H new ATOM 0 HG22 THR A 90 -1.397 -0.197 12.697 1.00 73.13 H new ATOM 0 HG23 THR A 90 -0.364 -0.984 13.915 1.00 73.13 H new ATOM 1466 N TRP A 91 -1.846 -2.644 11.309 1.00 41.04 N ATOM 1467 CA TRP A 91 -3.239 -2.750 10.844 1.00 52.41 C ATOM 1468 C TRP A 91 -4.153 -2.034 11.857 1.00 20.21 C ATOM 1469 O TRP A 91 -4.305 -2.486 12.997 1.00 0.35 O ATOM 1470 CB TRP A 91 -3.629 -4.243 10.662 1.00 65.43 C ATOM 1471 CG TRP A 91 -5.083 -4.488 10.297 1.00 4.32 C ATOM 1472 CD1 TRP A 91 -5.813 -3.886 9.304 1.00 55.21 C ATOM 1473 CD2 TRP A 91 -5.967 -5.431 10.919 1.00 53.55 C ATOM 1474 NE1 TRP A 91 -7.092 -4.385 9.296 1.00 41.11 N ATOM 1475 CE2 TRP A 91 -7.209 -5.336 10.272 1.00 33.12 C ATOM 1476 CE3 TRP A 91 -5.823 -6.341 11.968 1.00 65.24 C ATOM 1477 CZ2 TRP A 91 -8.297 -6.120 10.636 1.00 53.51 C ATOM 1478 CZ3 TRP A 91 -6.903 -7.121 12.328 1.00 0.44 C ATOM 1479 CH2 TRP A 91 -8.127 -7.005 11.664 1.00 53.32 C ATOM 0 H TRP A 91 -1.653 -3.194 12.146 1.00 41.04 H new ATOM 0 HA TRP A 91 -3.355 -2.269 9.873 1.00 52.41 H new ATOM 0 HB2 TRP A 91 -2.998 -4.676 9.886 1.00 65.43 H new ATOM 0 HB3 TRP A 91 -3.408 -4.776 11.587 1.00 65.43 H new ATOM 0 HD1 TRP A 91 -5.437 -3.131 8.629 1.00 55.21 H new ATOM 0 HE1 TRP A 91 -7.837 -4.093 8.663 1.00 41.11 H new ATOM 0 HE3 TRP A 91 -4.882 -6.433 12.489 1.00 65.24 H new ATOM 0 HZ2 TRP A 91 -9.244 -6.033 10.124 1.00 53.51 H new ATOM 0 HZ3 TRP A 91 -6.801 -7.832 13.135 1.00 0.44 H new ATOM 0 HH2 TRP A 91 -8.955 -7.627 11.969 1.00 53.32 H new ATOM 1490 N ASP A 92 -4.697 -0.886 11.431 1.00 12.32 N ATOM 1491 CA ASP A 92 -5.608 -0.044 12.236 1.00 62.21 C ATOM 1492 C ASP A 92 -6.921 -0.789 12.527 1.00 30.14 C ATOM 1493 O ASP A 92 -7.391 -0.843 13.670 1.00 14.23 O ATOM 1494 CB ASP A 92 -5.929 1.276 11.473 1.00 54.05 C ATOM 1495 CG ASP A 92 -4.671 2.069 11.087 1.00 42.41 C ATOM 1496 OD1 ASP A 92 -3.991 1.678 10.110 1.00 31.40 O ATOM 1497 OD2 ASP A 92 -4.349 3.075 11.756 1.00 4.32 O ATOM 0 H ASP A 92 -4.517 -0.505 10.502 1.00 12.32 H new ATOM 0 HA ASP A 92 -5.112 0.187 13.179 1.00 62.21 H new ATOM 0 HB2 ASP A 92 -6.493 1.039 10.571 1.00 54.05 H new ATOM 0 HB3 ASP A 92 -6.569 1.902 12.095 1.00 54.05 H new ATOM 1502 N GLY A 93 -7.504 -1.342 11.454 1.00 61.42 N ATOM 1503 CA GLY A 93 -8.799 -2.013 11.507 1.00 65.50 C ATOM 1504 C GLY A 93 -9.454 -2.056 10.146 1.00 3.54 C ATOM 1505 O GLY A 93 -9.937 -3.093 9.717 1.00 25.45 O ATOM 0 H GLY A 93 -7.084 -1.333 10.524 1.00 61.42 H new ATOM 0 HA2 GLY A 93 -8.669 -3.028 11.882 1.00 65.50 H new ATOM 0 HA3 GLY A 93 -9.451 -1.494 12.210 1.00 65.50 H new ATOM 1509 N ASP A 94 -9.488 -0.900 9.473 1.00 31.03 N ATOM 1510 CA ASP A 94 -9.999 -0.779 8.081 1.00 74.03 C ATOM 1511 C ASP A 94 -8.878 -0.415 7.106 1.00 23.23 C ATOM 1512 O ASP A 94 -9.130 -0.266 5.905 1.00 64.11 O ATOM 1513 CB ASP A 94 -11.133 0.271 7.989 1.00 43.35 C ATOM 1514 CG ASP A 94 -12.456 -0.241 8.562 1.00 3.41 C ATOM 1515 OD1 ASP A 94 -13.137 -1.038 7.877 1.00 52.42 O ATOM 1516 OD2 ASP A 94 -12.840 0.168 9.682 1.00 43.13 O ATOM 0 H ASP A 94 -9.165 -0.017 9.868 1.00 31.03 H new ATOM 0 HA ASP A 94 -10.400 -1.753 7.802 1.00 74.03 H new ATOM 0 HB2 ASP A 94 -10.834 1.172 8.525 1.00 43.35 H new ATOM 0 HB3 ASP A 94 -11.278 0.554 6.946 1.00 43.35 H new ATOM 1521 N THR A 95 -7.652 -0.255 7.625 1.00 53.41 N ATOM 1522 CA THR A 95 -6.464 0.101 6.829 1.00 1.32 C ATOM 1523 C THR A 95 -5.206 -0.598 7.381 1.00 1.13 C ATOM 1524 O THR A 95 -5.044 -0.723 8.599 1.00 12.41 O ATOM 1525 CB THR A 95 -6.223 1.656 6.812 1.00 63.44 C ATOM 1526 OG1 THR A 95 -6.404 2.201 8.130 1.00 71.10 O ATOM 1527 CG2 THR A 95 -7.138 2.403 5.820 1.00 21.24 C ATOM 0 H THR A 95 -7.453 -0.370 8.619 1.00 53.41 H new ATOM 0 HA THR A 95 -6.651 -0.236 5.809 1.00 1.32 H new ATOM 0 HB THR A 95 -5.196 1.803 6.477 1.00 63.44 H new ATOM 0 HG1 THR A 95 -5.563 2.138 8.628 1.00 71.10 H new ATOM 0 HG21 THR A 95 -6.921 3.470 5.858 1.00 21.24 H new ATOM 0 HG22 THR A 95 -6.960 2.032 4.811 1.00 21.24 H new ATOM 0 HG23 THR A 95 -8.181 2.235 6.090 1.00 21.24 H new ATOM 1535 N VAL A 96 -4.343 -1.081 6.468 1.00 31.42 N ATOM 1536 CA VAL A 96 -2.958 -1.445 6.780 1.00 5.14 C ATOM 1537 C VAL A 96 -2.052 -0.250 6.435 1.00 51.14 C ATOM 1538 O VAL A 96 -1.856 0.084 5.259 1.00 45.34 O ATOM 1539 CB VAL A 96 -2.496 -2.734 6.001 1.00 3.12 C ATOM 1540 CG1 VAL A 96 -0.987 -2.996 6.186 1.00 61.41 C ATOM 1541 CG2 VAL A 96 -3.317 -3.962 6.442 1.00 13.43 C ATOM 0 H VAL A 96 -4.593 -1.228 5.490 1.00 31.42 H new ATOM 0 HA VAL A 96 -2.886 -1.681 7.842 1.00 5.14 H new ATOM 0 HB VAL A 96 -2.675 -2.559 4.940 1.00 3.12 H new ATOM 0 HG11 VAL A 96 -0.703 -3.893 5.635 1.00 61.41 H new ATOM 0 HG12 VAL A 96 -0.421 -2.144 5.809 1.00 61.41 H new ATOM 0 HG13 VAL A 96 -0.769 -3.137 7.245 1.00 61.41 H new ATOM 0 HG21 VAL A 96 -2.981 -4.841 5.891 1.00 13.43 H new ATOM 0 HG22 VAL A 96 -3.178 -4.128 7.510 1.00 13.43 H new ATOM 0 HG23 VAL A 96 -4.373 -3.787 6.236 1.00 13.43 H new ATOM 1551 N THR A 97 -1.551 0.399 7.480 1.00 72.35 N ATOM 1552 CA THR A 97 -0.598 1.492 7.384 1.00 30.15 C ATOM 1553 C THR A 97 0.834 0.945 7.529 1.00 13.34 C ATOM 1554 O THR A 97 1.235 0.468 8.601 1.00 60.51 O ATOM 1555 CB THR A 97 -0.898 2.550 8.484 1.00 60.33 C ATOM 1556 OG1 THR A 97 -2.207 3.111 8.268 1.00 2.23 O ATOM 1557 CG2 THR A 97 0.146 3.674 8.530 1.00 14.35 C ATOM 0 H THR A 97 -1.805 0.171 8.441 1.00 72.35 H new ATOM 0 HA THR A 97 -0.689 1.972 6.410 1.00 30.15 H new ATOM 0 HB THR A 97 -0.857 2.037 9.445 1.00 60.33 H new ATOM 0 HG1 THR A 97 -2.851 2.681 8.869 1.00 2.23 H new ATOM 0 HG21 THR A 97 -0.116 4.382 9.316 1.00 14.35 H new ATOM 0 HG22 THR A 97 1.129 3.250 8.736 1.00 14.35 H new ATOM 0 HG23 THR A 97 0.168 4.190 7.570 1.00 14.35 H new ATOM 1565 N VAL A 98 1.574 0.982 6.424 1.00 53.14 N ATOM 1566 CA VAL A 98 2.994 0.627 6.382 1.00 0.51 C ATOM 1567 C VAL A 98 3.817 1.909 6.186 1.00 75.32 C ATOM 1568 O VAL A 98 3.616 2.651 5.211 1.00 43.13 O ATOM 1569 CB VAL A 98 3.291 -0.407 5.235 1.00 64.23 C ATOM 1570 CG1 VAL A 98 4.797 -0.724 5.104 1.00 14.10 C ATOM 1571 CG2 VAL A 98 2.461 -1.693 5.440 1.00 75.12 C ATOM 0 H VAL A 98 1.200 1.263 5.518 1.00 53.14 H new ATOM 0 HA VAL A 98 3.272 0.151 7.322 1.00 0.51 H new ATOM 0 HB VAL A 98 2.990 0.054 4.294 1.00 64.23 H new ATOM 0 HG11 VAL A 98 4.949 -1.442 4.299 1.00 14.10 H new ATOM 0 HG12 VAL A 98 5.344 0.192 4.881 1.00 14.10 H new ATOM 0 HG13 VAL A 98 5.163 -1.146 6.040 1.00 14.10 H new ATOM 0 HG21 VAL A 98 2.678 -2.398 4.638 1.00 75.12 H new ATOM 0 HG22 VAL A 98 2.719 -2.143 6.399 1.00 75.12 H new ATOM 0 HG23 VAL A 98 1.399 -1.446 5.429 1.00 75.12 H new ATOM 1581 N GLU A 99 4.718 2.159 7.137 1.00 45.52 N ATOM 1582 CA GLU A 99 5.611 3.314 7.142 1.00 52.24 C ATOM 1583 C GLU A 99 7.031 2.808 7.453 1.00 51.44 C ATOM 1584 O GLU A 99 7.260 2.304 8.562 1.00 15.43 O ATOM 1585 CB GLU A 99 5.114 4.345 8.209 1.00 14.44 C ATOM 1586 CG GLU A 99 6.099 5.481 8.561 1.00 24.11 C ATOM 1587 CD GLU A 99 6.543 6.335 7.360 1.00 11.40 C ATOM 1588 OE1 GLU A 99 5.855 7.329 7.046 1.00 32.24 O ATOM 1589 OE2 GLU A 99 7.597 6.027 6.738 1.00 41.03 O ATOM 0 H GLU A 99 4.849 1.548 7.943 1.00 45.52 H new ATOM 0 HA GLU A 99 5.618 3.820 6.176 1.00 52.24 H new ATOM 0 HB2 GLU A 99 4.187 4.792 7.849 1.00 14.44 H new ATOM 0 HB3 GLU A 99 4.872 3.804 9.124 1.00 14.44 H new ATOM 0 HG2 GLU A 99 5.634 6.132 9.301 1.00 24.11 H new ATOM 0 HG3 GLU A 99 6.983 5.047 9.029 1.00 24.11 H new ATOM 1596 N GLY A 100 7.938 2.972 6.449 1.00 43.40 N ATOM 1597 CA GLY A 100 9.366 2.559 6.487 1.00 11.24 C ATOM 1598 C GLY A 100 9.721 1.481 7.509 1.00 74.43 C ATOM 1599 O GLY A 100 9.566 0.291 7.247 1.00 24.04 O ATOM 0 H GLY A 100 7.684 3.410 5.563 1.00 43.40 H new ATOM 0 HA2 GLY A 100 9.647 2.200 5.497 1.00 11.24 H new ATOM 0 HA3 GLY A 100 9.974 3.440 6.691 1.00 11.24 H new