USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 746 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 97 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 TYR OH : rot 15:sc= -0.166 USER MOD Set 2.1: A 24 ASN : amide:sc= 1.17 K(o=1.2,f=-0.00084) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.949 K(o=0.95,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 39 THR OG1 : rot 161:sc= 1.94 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.17 K(o=1.2,f=-0.047) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.494 K(o=0.49,f=-5!) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.18) USER MOD Single : A 64 GLN : amide:sc= -0.378 K(o=-0.38,f=-2.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -64:sc= 0.115 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.476 K(o=0.48,f=-4.9!) USER MOD Single : A 77 ASN : amide:sc= 0.632 K(o=0.63,f=-0.027) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 1 (180deg=0.894) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -154:sc= 0.206 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 11 0.551 -16.685 5.608 1.00 0.00 N ATOM 174 CA VAL A 11 0.864 -15.275 5.335 1.00 0.00 C ATOM 175 C VAL A 11 -0.190 -14.399 6.000 1.00 0.00 C ATOM 176 O VAL A 11 -1.368 -14.753 6.023 1.00 0.00 O ATOM 177 CB VAL A 11 0.902 -14.975 3.821 1.00 0.00 C ATOM 178 CG1 VAL A 11 1.565 -13.618 3.583 1.00 0.00 C ATOM 179 CG2 VAL A 11 1.688 -16.010 3.013 1.00 0.00 C ATOM 0 HA VAL A 11 1.854 -15.061 5.738 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.135 -14.994 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.591 -13.408 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.995 -12.840 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.582 -13.637 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.673 -15.736 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.719 -16.040 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.233 -16.992 3.139 1.00 0.00 H new ATOM 189 N ASN A 12 0.236 -13.267 6.552 1.00 0.00 N ATOM 190 CA ASN A 12 -0.582 -12.222 7.175 1.00 0.00 C ATOM 191 C ASN A 12 0.015 -10.848 6.811 1.00 0.00 C ATOM 192 O ASN A 12 1.163 -10.752 6.369 1.00 0.00 O ATOM 193 CB ASN A 12 -0.549 -12.378 8.712 1.00 0.00 C ATOM 194 CG ASN A 12 -1.563 -13.314 9.362 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.117 -13.013 10.411 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.817 -14.483 8.826 1.00 0.00 N ATOM 0 H ASN A 12 1.229 -13.036 6.580 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.609 -12.304 6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.447 -12.721 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.680 -11.389 9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.466 -15.123 9.283 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.365 -14.752 7.952 1.00 0.00 H new ATOM 203 N LEU A 13 -0.724 -9.771 7.092 1.00 0.00 N ATOM 204 CA LEU A 13 -0.241 -8.392 6.948 1.00 0.00 C ATOM 205 C LEU A 13 1.059 -8.096 7.701 1.00 0.00 C ATOM 206 O LEU A 13 1.907 -7.378 7.181 1.00 0.00 O ATOM 207 CB LEU A 13 -1.339 -7.420 7.413 1.00 0.00 C ATOM 208 CG LEU A 13 -2.053 -6.735 6.245 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.161 -5.856 6.831 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.103 -5.840 5.449 1.00 0.00 C ATOM 0 H LEU A 13 -1.685 -9.831 7.429 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.011 -8.257 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.070 -7.963 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.897 -6.661 8.059 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.444 -7.500 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.691 -5.352 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.860 -6.477 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.722 -5.112 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.646 -5.371 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.697 -5.068 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.287 -6.441 5.047 1.00 0.00 H new ATOM 222 N ASP A 14 1.254 -8.666 8.889 1.00 0.00 N ATOM 223 CA ASP A 14 2.487 -8.476 9.661 1.00 0.00 C ATOM 224 C ASP A 14 3.751 -8.884 8.885 1.00 0.00 C ATOM 225 O ASP A 14 4.797 -8.258 9.046 1.00 0.00 O ATOM 226 CB ASP A 14 2.405 -9.266 10.970 1.00 0.00 C ATOM 227 CG ASP A 14 1.374 -8.667 11.939 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.729 -7.740 12.706 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.207 -9.126 11.939 1.00 0.00 O ATOM 0 H ASP A 14 0.568 -9.269 9.344 1.00 0.00 H new ATOM 0 HA ASP A 14 2.572 -7.409 9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.140 -10.301 10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.385 -9.281 11.447 1.00 0.00 H new ATOM 234 N GLU A 15 3.655 -9.887 8.007 1.00 0.00 N ATOM 235 CA GLU A 15 4.752 -10.293 7.123 1.00 0.00 C ATOM 236 C GLU A 15 4.892 -9.358 5.905 1.00 0.00 C ATOM 237 O GLU A 15 6.003 -9.136 5.447 1.00 0.00 O ATOM 238 CB GLU A 15 4.536 -11.755 6.686 1.00 0.00 C ATOM 239 CG GLU A 15 5.751 -12.394 5.991 1.00 0.00 C ATOM 240 CD GLU A 15 7.003 -12.590 6.873 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.895 -12.657 8.122 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.114 -12.709 6.299 1.00 0.00 O ATOM 0 H GLU A 15 2.809 -10.444 7.889 1.00 0.00 H new ATOM 0 HA GLU A 15 5.688 -10.216 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.279 -12.350 7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.682 -11.798 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.451 -13.365 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.025 -11.774 5.137 1.00 0.00 H new ATOM 249 N ILE A 16 3.807 -8.759 5.402 1.00 0.00 N ATOM 250 CA ILE A 16 3.803 -7.872 4.214 1.00 0.00 C ATOM 251 C ILE A 16 4.741 -6.679 4.404 1.00 0.00 C ATOM 252 O ILE A 16 5.684 -6.503 3.633 1.00 0.00 O ATOM 253 CB ILE A 16 2.343 -7.486 3.821 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.614 -8.703 3.208 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.190 -6.284 2.882 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.219 -9.194 1.873 1.00 0.00 C ATOM 0 H ILE A 16 2.881 -8.875 5.813 1.00 0.00 H new ATOM 0 HA ILE A 16 4.208 -8.416 3.360 1.00 0.00 H new ATOM 0 HB ILE A 16 1.890 -7.174 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.632 -9.523 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.568 -8.443 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.133 -6.112 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.619 -5.399 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.710 -6.486 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.651 -10.050 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.177 -8.391 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.257 -9.488 2.030 1.00 0.00 H new ATOM 268 N LEU A 17 4.559 -5.912 5.475 1.00 0.00 N ATOM 269 CA LEU A 17 5.412 -4.755 5.797 1.00 0.00 C ATOM 270 C LEU A 17 6.819 -5.189 6.243 1.00 0.00 C ATOM 271 O LEU A 17 7.800 -4.507 5.941 1.00 0.00 O ATOM 272 CB LEU A 17 4.777 -3.862 6.889 1.00 0.00 C ATOM 273 CG LEU A 17 3.640 -4.488 7.721 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.388 -3.687 8.989 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.327 -4.398 6.955 1.00 0.00 C ATOM 0 H LEU A 17 3.813 -6.070 6.153 1.00 0.00 H new ATOM 0 HA LEU A 17 5.501 -4.175 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.566 -3.548 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.392 -2.961 6.411 1.00 0.00 H new ATOM 0 HG LEU A 17 3.940 -5.513 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.581 -4.150 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.294 -3.669 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.107 -2.667 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.528 -4.842 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.093 -3.352 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.419 -4.935 6.011 1.00 0.00 H new ATOM 287 N ALA A 18 6.923 -6.309 6.970 1.00 0.00 N ATOM 288 CA ALA A 18 8.192 -6.832 7.477 1.00 0.00 C ATOM 289 C ALA A 18 9.085 -7.448 6.376 1.00 0.00 C ATOM 290 O ALA A 18 10.306 -7.527 6.536 1.00 0.00 O ATOM 291 CB ALA A 18 7.884 -7.877 8.552 1.00 0.00 C ATOM 0 H ALA A 18 6.118 -6.881 7.224 1.00 0.00 H new ATOM 0 HA ALA A 18 8.758 -5.997 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.817 -8.281 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.321 -7.412 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.294 -8.684 8.117 1.00 0.00 H new ATOM 297 N ASN A 19 8.483 -7.872 5.260 1.00 0.00 N ATOM 298 CA ASN A 19 9.111 -8.595 4.159 1.00 0.00 C ATOM 299 C ASN A 19 8.983 -7.784 2.864 1.00 0.00 C ATOM 300 O ASN A 19 8.073 -7.979 2.058 1.00 0.00 O ATOM 301 CB ASN A 19 8.509 -10.005 4.037 1.00 0.00 C ATOM 302 CG ASN A 19 9.465 -10.973 3.375 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.110 -10.664 2.388 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.611 -12.161 3.912 1.00 0.00 N ATOM 0 H ASN A 19 7.490 -7.709 5.096 1.00 0.00 H new ATOM 0 HA ASN A 19 10.175 -8.721 4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.247 -10.375 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.585 -9.956 3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.265 -12.828 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.070 -12.417 4.738 1.00 0.00 H new ATOM 311 N ASP A 20 9.908 -6.849 2.652 1.00 0.00 N ATOM 312 CA ASP A 20 9.937 -6.013 1.449 1.00 0.00 C ATOM 313 C ASP A 20 9.950 -6.818 0.137 1.00 0.00 C ATOM 314 O ASP A 20 9.461 -6.329 -0.880 1.00 0.00 O ATOM 315 CB ASP A 20 11.134 -5.056 1.505 1.00 0.00 C ATOM 316 CG ASP A 20 12.488 -5.768 1.347 1.00 0.00 C ATOM 317 OD1 ASP A 20 12.958 -6.399 2.323 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.082 -5.696 0.246 1.00 0.00 O ATOM 0 H ASP A 20 10.661 -6.648 3.310 1.00 0.00 H new ATOM 0 HA ASP A 20 9.007 -5.445 1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.030 -4.308 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.120 -4.523 2.456 1.00 0.00 H new ATOM 323 N ARG A 21 10.450 -8.062 0.153 1.00 0.00 N ATOM 324 CA ARG A 21 10.382 -8.996 -0.988 1.00 0.00 C ATOM 325 C ARG A 21 8.938 -9.290 -1.418 1.00 0.00 C ATOM 326 O ARG A 21 8.663 -9.368 -2.616 1.00 0.00 O ATOM 327 CB ARG A 21 11.108 -10.326 -0.696 1.00 0.00 C ATOM 328 CG ARG A 21 12.460 -10.186 0.030 1.00 0.00 C ATOM 329 CD ARG A 21 13.177 -11.535 0.175 1.00 0.00 C ATOM 330 NE ARG A 21 13.617 -12.081 -1.128 1.00 0.00 N ATOM 331 CZ ARG A 21 14.052 -13.306 -1.363 1.00 0.00 C ATOM 332 NH1 ARG A 21 14.161 -14.200 -0.420 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.394 -13.662 -2.569 1.00 0.00 N ATOM 0 H ARG A 21 10.920 -8.456 0.968 1.00 0.00 H new ATOM 0 HA ARG A 21 10.892 -8.490 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.453 -10.955 -0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.272 -10.848 -1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.097 -9.494 -0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.298 -9.753 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.042 -11.416 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.510 -12.248 0.658 1.00 0.00 H new ATOM 0 HE ARG A 21 13.581 -11.447 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.906 -13.963 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.501 -15.136 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.326 -12.994 -3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.729 -14.609 -2.745 1.00 0.00 H new ATOM 347 N LEU A 22 8.012 -9.405 -0.457 1.00 0.00 N ATOM 348 CA LEU A 22 6.567 -9.435 -0.723 1.00 0.00 C ATOM 349 C LEU A 22 6.084 -8.050 -1.161 1.00 0.00 C ATOM 350 O LEU A 22 5.406 -7.919 -2.178 1.00 0.00 O ATOM 351 CB LEU A 22 5.770 -9.853 0.531 1.00 0.00 C ATOM 352 CG LEU A 22 6.200 -11.163 1.206 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.420 -11.381 2.498 1.00 0.00 C ATOM 354 CD2 LEU A 22 5.922 -12.375 0.331 1.00 0.00 C ATOM 0 H LEU A 22 8.245 -9.480 0.533 1.00 0.00 H new ATOM 0 HA LEU A 22 6.398 -10.166 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.842 -9.050 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.719 -9.939 0.255 1.00 0.00 H new ATOM 0 HG LEU A 22 7.270 -11.068 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.738 -12.314 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.609 -10.553 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.354 -11.432 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.242 -13.279 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.854 -12.436 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.470 -12.280 -0.606 1.00 0.00 H new ATOM 366 N LEU A 23 6.454 -7.010 -0.407 1.00 0.00 N ATOM 367 CA LEU A 23 5.931 -5.657 -0.596 1.00 0.00 C ATOM 368 C LEU A 23 6.188 -5.131 -2.026 1.00 0.00 C ATOM 369 O LEU A 23 5.277 -4.630 -2.680 1.00 0.00 O ATOM 370 CB LEU A 23 6.510 -4.727 0.494 1.00 0.00 C ATOM 371 CG LEU A 23 5.566 -3.614 0.953 1.00 0.00 C ATOM 372 CD1 LEU A 23 4.903 -2.879 -0.204 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.511 -4.208 1.873 1.00 0.00 C ATOM 0 H LEU A 23 7.128 -7.086 0.355 1.00 0.00 H new ATOM 0 HA LEU A 23 4.847 -5.678 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.785 -5.331 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.427 -4.274 0.116 1.00 0.00 H new ATOM 0 HG LEU A 23 6.164 -2.873 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.246 -2.102 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.669 -2.424 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.319 -3.584 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.833 -3.421 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.947 -4.970 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.996 -4.659 2.739 1.00 0.00 H new ATOM 385 N ASN A 24 7.402 -5.314 -2.557 1.00 0.00 N ATOM 386 CA ASN A 24 7.798 -4.890 -3.910 1.00 0.00 C ATOM 387 C ASN A 24 6.883 -5.447 -5.017 1.00 0.00 C ATOM 388 O ASN A 24 6.576 -4.732 -5.969 1.00 0.00 O ATOM 389 CB ASN A 24 9.266 -5.262 -4.177 1.00 0.00 C ATOM 390 CG ASN A 24 10.224 -4.204 -3.656 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.667 -3.316 -4.368 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.553 -4.245 -2.388 1.00 0.00 N ATOM 0 H ASN A 24 8.157 -5.772 -2.047 1.00 0.00 H new ATOM 0 HA ASN A 24 7.687 -3.806 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.490 -6.218 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.418 -5.393 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.176 -3.537 -2.000 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.186 -4.985 -1.789 1.00 0.00 H new ATOM 399 N LYS A 25 6.396 -6.686 -4.879 1.00 0.00 N ATOM 400 CA LYS A 25 5.416 -7.298 -5.796 1.00 0.00 C ATOM 401 C LYS A 25 4.046 -6.619 -5.685 1.00 0.00 C ATOM 402 O LYS A 25 3.419 -6.306 -6.697 1.00 0.00 O ATOM 403 CB LYS A 25 5.349 -8.806 -5.487 1.00 0.00 C ATOM 404 CG LYS A 25 4.153 -9.549 -6.109 1.00 0.00 C ATOM 405 CD LYS A 25 4.208 -11.065 -5.853 1.00 0.00 C ATOM 406 CE LYS A 25 4.289 -11.435 -4.366 1.00 0.00 C ATOM 407 NZ LYS A 25 4.476 -12.900 -4.178 1.00 0.00 N ATOM 0 H LYS A 25 6.673 -7.304 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 25 5.731 -7.158 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.269 -9.274 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.316 -8.938 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.226 -9.147 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.133 -9.365 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.323 -11.530 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.073 -11.481 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.116 -10.899 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.378 -11.116 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.527 -13.116 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.674 -13.409 -4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.358 -13.199 -4.640 1.00 0.00 H new ATOM 421 N TYR A 26 3.611 -6.347 -4.455 1.00 0.00 N ATOM 422 CA TYR A 26 2.326 -5.713 -4.151 1.00 0.00 C ATOM 423 C TYR A 26 2.261 -4.268 -4.687 1.00 0.00 C ATOM 424 O TYR A 26 1.220 -3.857 -5.197 1.00 0.00 O ATOM 425 CB TYR A 26 2.061 -5.770 -2.633 1.00 0.00 C ATOM 426 CG TYR A 26 1.578 -7.108 -2.077 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.235 -8.322 -2.374 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.455 -7.135 -1.230 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.750 -9.546 -1.878 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.044 -8.353 -0.733 1.00 0.00 C ATOM 431 CZ TYR A 26 0.587 -9.569 -1.077 1.00 0.00 C ATOM 432 OH TYR A 26 0.070 -10.750 -0.645 1.00 0.00 O ATOM 0 H TYR A 26 4.155 -6.566 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 26 1.538 -6.268 -4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.981 -5.497 -2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.319 -5.010 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.122 -8.311 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.030 -6.209 -0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.266 -10.466 -2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.910 -8.358 -0.088 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.576 -10.581 0.072 1.00 0.00 H new ATOM 442 N VAL A 27 3.366 -3.510 -4.637 1.00 0.00 N ATOM 443 CA VAL A 27 3.456 -2.144 -5.209 1.00 0.00 C ATOM 444 C VAL A 27 3.614 -2.115 -6.723 1.00 0.00 C ATOM 445 O VAL A 27 3.054 -1.240 -7.377 1.00 0.00 O ATOM 446 CB VAL A 27 4.550 -1.282 -4.549 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.244 -1.115 -3.065 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.950 -1.875 -4.668 1.00 0.00 C ATOM 0 H VAL A 27 4.232 -3.823 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 27 2.487 -1.703 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 27 4.542 -0.330 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.019 -0.505 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.277 -0.626 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.217 -2.094 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.667 -1.215 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.973 -2.853 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.212 -1.982 -5.721 1.00 0.00 H new ATOM 458 N GLN A 28 4.299 -3.095 -7.315 1.00 0.00 N ATOM 459 CA GLN A 28 4.459 -3.210 -8.774 1.00 0.00 C ATOM 460 C GLN A 28 3.121 -3.115 -9.528 1.00 0.00 C ATOM 461 O GLN A 28 3.054 -2.516 -10.600 1.00 0.00 O ATOM 462 CB GLN A 28 5.138 -4.548 -9.075 1.00 0.00 C ATOM 463 CG GLN A 28 5.907 -4.540 -10.402 1.00 0.00 C ATOM 464 CD GLN A 28 6.623 -5.861 -10.696 1.00 0.00 C ATOM 465 OE1 GLN A 28 6.435 -6.882 -10.045 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.479 -5.898 -11.694 1.00 0.00 N ATOM 0 H GLN A 28 4.764 -3.839 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 28 5.067 -2.374 -9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.824 -4.792 -8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.384 -5.335 -9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.214 -4.322 -11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.640 -3.734 -10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.651 -5.060 -12.250 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.971 -6.765 -11.912 1.00 0.00 H new ATOM 475 N CYS A 29 2.058 -3.622 -8.893 1.00 0.00 N ATOM 476 CA CYS A 29 0.659 -3.577 -9.313 1.00 0.00 C ATOM 477 C CYS A 29 0.146 -2.211 -9.814 1.00 0.00 C ATOM 478 O CYS A 29 -0.729 -2.169 -10.682 1.00 0.00 O ATOM 479 CB CYS A 29 -0.168 -4.056 -8.112 1.00 0.00 C ATOM 480 SG CYS A 29 -1.958 -4.167 -8.341 1.00 0.00 S ATOM 0 H CYS A 29 2.165 -4.111 -8.004 1.00 0.00 H new ATOM 0 HA CYS A 29 0.558 -4.216 -10.190 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.198 -5.040 -7.819 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.026 -3.383 -7.277 1.00 0.00 H new ATOM 485 N LEU A 30 0.693 -1.103 -9.299 1.00 0.00 N ATOM 486 CA LEU A 30 0.342 0.264 -9.705 1.00 0.00 C ATOM 487 C LEU A 30 1.552 1.140 -10.098 1.00 0.00 C ATOM 488 O LEU A 30 1.364 2.244 -10.613 1.00 0.00 O ATOM 489 CB LEU A 30 -0.592 0.925 -8.657 1.00 0.00 C ATOM 490 CG LEU A 30 -0.145 1.076 -7.184 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.245 -0.221 -6.378 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.270 1.630 -7.032 1.00 0.00 C ATOM 0 H LEU A 30 1.408 -1.132 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.219 0.181 -10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.830 1.924 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.522 0.357 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.854 1.798 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.085 -0.040 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.279 -0.566 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.388 -0.982 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.518 1.710 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.977 0.960 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.326 2.616 -7.493 1.00 0.00 H new ATOM 504 N LEU A 31 2.782 0.655 -9.878 1.00 0.00 N ATOM 505 CA LEU A 31 4.030 1.349 -10.221 1.00 0.00 C ATOM 506 C LEU A 31 4.426 1.102 -11.692 1.00 0.00 C ATOM 507 O LEU A 31 4.837 2.034 -12.385 1.00 0.00 O ATOM 508 CB LEU A 31 5.109 0.988 -9.162 1.00 0.00 C ATOM 509 CG LEU A 31 6.403 0.271 -9.605 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.410 1.214 -10.260 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.112 -0.335 -8.392 1.00 0.00 C ATOM 0 H LEU A 31 2.940 -0.255 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 31 3.904 2.431 -10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.402 1.914 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.630 0.362 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 31 6.089 -0.486 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.298 0.653 -10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.962 1.667 -11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.689 1.996 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.023 -0.838 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.366 0.456 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.453 -1.055 -7.908 1.00 0.00 H new ATOM 523 N GLU A 32 4.268 -0.129 -12.189 1.00 0.00 N ATOM 524 CA GLU A 32 4.586 -0.489 -13.581 1.00 0.00 C ATOM 525 C GLU A 32 3.473 -0.116 -14.583 1.00 0.00 C ATOM 526 O GLU A 32 2.334 0.181 -14.216 1.00 0.00 O ATOM 527 CB GLU A 32 4.901 -1.996 -13.674 1.00 0.00 C ATOM 528 CG GLU A 32 6.303 -2.351 -13.151 1.00 0.00 C ATOM 529 CD GLU A 32 7.458 -1.712 -13.954 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.274 -1.345 -15.140 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.577 -1.594 -13.398 1.00 0.00 O ATOM 0 H GLU A 32 3.914 -0.910 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 32 5.461 0.097 -13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.156 -2.553 -13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.815 -2.316 -14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.381 -2.036 -12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.421 -3.435 -13.166 1.00 0.00 H new ATOM 538 N ASP A 33 3.807 -0.167 -15.877 1.00 0.00 N ATOM 539 CA ASP A 33 2.880 0.034 -17.008 1.00 0.00 C ATOM 540 C ASP A 33 1.935 -1.171 -17.266 1.00 0.00 C ATOM 541 O ASP A 33 1.113 -1.144 -18.184 1.00 0.00 O ATOM 542 CB ASP A 33 3.719 0.372 -18.253 1.00 0.00 C ATOM 543 CG ASP A 33 2.883 0.942 -19.415 1.00 0.00 C ATOM 544 OD1 ASP A 33 2.166 1.952 -19.211 1.00 0.00 O ATOM 545 OD2 ASP A 33 2.989 0.425 -20.554 1.00 0.00 O ATOM 0 H ASP A 33 4.762 -0.356 -16.182 1.00 0.00 H new ATOM 0 HA ASP A 33 2.209 0.857 -16.760 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.488 1.094 -17.979 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.233 -0.528 -18.591 1.00 0.00 H new ATOM 550 N ASP A 34 2.025 -2.224 -16.446 1.00 0.00 N ATOM 551 CA ASP A 34 1.212 -3.447 -16.480 1.00 0.00 C ATOM 552 C ASP A 34 0.762 -3.830 -15.056 1.00 0.00 C ATOM 553 O ASP A 34 1.324 -3.362 -14.064 1.00 0.00 O ATOM 554 CB ASP A 34 2.027 -4.598 -17.095 1.00 0.00 C ATOM 555 CG ASP A 34 2.331 -4.390 -18.589 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.421 -4.603 -19.427 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.492 -4.065 -18.937 1.00 0.00 O ATOM 0 H ASP A 34 2.712 -2.247 -15.692 1.00 0.00 H new ATOM 0 HA ASP A 34 0.328 -3.264 -17.091 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.965 -4.703 -16.550 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.479 -5.532 -16.968 1.00 0.00 H new ATOM 562 N GLU A 35 -0.239 -4.707 -14.950 1.00 0.00 N ATOM 563 CA GLU A 35 -0.890 -5.089 -13.685 1.00 0.00 C ATOM 564 C GLU A 35 -0.986 -6.612 -13.465 1.00 0.00 C ATOM 565 O GLU A 35 -1.638 -7.079 -12.531 1.00 0.00 O ATOM 566 CB GLU A 35 -2.257 -4.381 -13.560 1.00 0.00 C ATOM 567 CG GLU A 35 -3.348 -4.851 -14.539 1.00 0.00 C ATOM 568 CD GLU A 35 -3.110 -4.371 -15.984 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.420 -5.082 -16.755 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.619 -3.286 -16.359 1.00 0.00 O ATOM 0 H GLU A 35 -0.633 -5.186 -15.760 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.246 -4.745 -12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.624 -4.519 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.105 -3.311 -13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.394 -5.940 -14.527 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.317 -4.487 -14.196 1.00 0.00 H new ATOM 577 N SER A 36 -0.274 -7.402 -14.270 1.00 0.00 N ATOM 578 CA SER A 36 -0.126 -8.860 -14.079 1.00 0.00 C ATOM 579 C SER A 36 0.498 -9.244 -12.724 1.00 0.00 C ATOM 580 O SER A 36 0.393 -10.389 -12.283 1.00 0.00 O ATOM 581 CB SER A 36 0.744 -9.451 -15.195 1.00 0.00 C ATOM 582 OG SER A 36 0.228 -9.116 -16.475 1.00 0.00 O ATOM 0 H SER A 36 0.226 -7.050 -15.086 1.00 0.00 H new ATOM 0 HA SER A 36 -1.137 -9.268 -14.105 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.764 -9.078 -15.101 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.790 -10.535 -15.090 1.00 0.00 H new ATOM 0 HG SER A 36 0.801 -9.503 -17.170 1.00 0.00 H new ATOM 588 N ASN A 37 1.158 -8.286 -12.061 1.00 0.00 N ATOM 589 CA ASN A 37 1.884 -8.456 -10.798 1.00 0.00 C ATOM 590 C ASN A 37 0.967 -8.478 -9.557 1.00 0.00 C ATOM 591 O ASN A 37 1.408 -8.876 -8.479 1.00 0.00 O ATOM 592 CB ASN A 37 2.910 -7.312 -10.657 1.00 0.00 C ATOM 593 CG ASN A 37 3.544 -6.874 -11.967 1.00 0.00 C ATOM 594 OD1 ASN A 37 3.283 -5.793 -12.466 1.00 0.00 O ATOM 595 ND2 ASN A 37 4.332 -7.703 -12.607 1.00 0.00 N ATOM 0 H ASN A 37 1.202 -7.328 -12.407 1.00 0.00 H new ATOM 0 HA ASN A 37 2.374 -9.429 -10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.418 -6.453 -10.200 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.698 -7.629 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.720 -7.441 -13.513 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.557 -8.610 -12.199 1.00 0.00 H new ATOM 602 N CYS A 38 -0.283 -8.013 -9.684 1.00 0.00 N ATOM 603 CA CYS A 38 -1.219 -7.834 -8.569 1.00 0.00 C ATOM 604 C CYS A 38 -1.604 -9.175 -7.904 1.00 0.00 C ATOM 605 O CYS A 38 -2.377 -9.959 -8.461 1.00 0.00 O ATOM 606 CB CYS A 38 -2.465 -7.094 -9.071 1.00 0.00 C ATOM 607 SG CYS A 38 -2.210 -5.483 -9.862 1.00 0.00 S ATOM 0 H CYS A 38 -0.679 -7.745 -10.585 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.724 -7.241 -7.800 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.979 -7.741 -9.781 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.137 -6.952 -8.225 1.00 0.00 H new ATOM 612 N THR A 39 -1.066 -9.437 -6.710 1.00 0.00 N ATOM 613 CA THR A 39 -1.270 -10.670 -5.924 1.00 0.00 C ATOM 614 C THR A 39 -2.723 -10.852 -5.466 1.00 0.00 C ATOM 615 O THR A 39 -3.498 -9.897 -5.452 1.00 0.00 O ATOM 616 CB THR A 39 -0.353 -10.688 -4.679 1.00 0.00 C ATOM 617 OG1 THR A 39 0.594 -9.639 -4.709 1.00 0.00 O ATOM 618 CG2 THR A 39 0.427 -11.997 -4.573 1.00 0.00 C ATOM 0 H THR A 39 -0.451 -8.773 -6.240 1.00 0.00 H new ATOM 0 HA THR A 39 -1.018 -11.494 -6.592 1.00 0.00 H new ATOM 0 HB THR A 39 -1.018 -10.571 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.944 -9.488 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.060 -11.972 -3.686 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.271 -12.831 -4.498 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.049 -12.123 -5.459 1.00 0.00 H new ATOM 626 N ALA A 40 -3.091 -12.063 -5.035 1.00 0.00 N ATOM 627 CA ALA A 40 -4.455 -12.412 -4.609 1.00 0.00 C ATOM 628 C ALA A 40 -4.992 -11.531 -3.458 1.00 0.00 C ATOM 629 O ALA A 40 -6.141 -11.090 -3.502 1.00 0.00 O ATOM 630 CB ALA A 40 -4.477 -13.899 -4.230 1.00 0.00 C ATOM 0 H ALA A 40 -2.439 -12.844 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.128 -12.220 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.481 -14.178 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.191 -14.499 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.775 -14.077 -3.416 1.00 0.00 H new ATOM 636 N ASP A 41 -4.152 -11.228 -2.460 1.00 0.00 N ATOM 637 CA ASP A 41 -4.451 -10.239 -1.412 1.00 0.00 C ATOM 638 C ASP A 41 -3.985 -8.821 -1.801 1.00 0.00 C ATOM 639 O ASP A 41 -4.652 -7.840 -1.478 1.00 0.00 O ATOM 640 CB ASP A 41 -3.790 -10.690 -0.103 1.00 0.00 C ATOM 641 CG ASP A 41 -4.175 -9.779 1.074 1.00 0.00 C ATOM 642 OD1 ASP A 41 -5.340 -9.851 1.531 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.305 -9.016 1.555 1.00 0.00 O ATOM 0 H ASP A 41 -3.237 -11.666 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.532 -10.185 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.086 -11.715 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.707 -10.690 -0.224 1.00 0.00 H new ATOM 648 N GLY A 42 -2.881 -8.707 -2.549 1.00 0.00 N ATOM 649 CA GLY A 42 -2.297 -7.433 -2.988 1.00 0.00 C ATOM 650 C GLY A 42 -3.248 -6.542 -3.784 1.00 0.00 C ATOM 651 O GLY A 42 -3.358 -5.349 -3.500 1.00 0.00 O ATOM 0 H GLY A 42 -2.355 -9.518 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.953 -6.884 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.418 -7.642 -3.598 1.00 0.00 H new ATOM 655 N LYS A 43 -3.988 -7.126 -4.733 1.00 0.00 N ATOM 656 CA LYS A 43 -5.012 -6.427 -5.530 1.00 0.00 C ATOM 657 C LYS A 43 -6.167 -5.857 -4.704 1.00 0.00 C ATOM 658 O LYS A 43 -6.719 -4.820 -5.062 1.00 0.00 O ATOM 659 CB LYS A 43 -5.535 -7.358 -6.643 1.00 0.00 C ATOM 660 CG LYS A 43 -6.457 -8.489 -6.143 1.00 0.00 C ATOM 661 CD LYS A 43 -6.875 -9.475 -7.243 1.00 0.00 C ATOM 662 CE LYS A 43 -5.683 -10.230 -7.852 1.00 0.00 C ATOM 663 NZ LYS A 43 -6.121 -11.220 -8.871 1.00 0.00 N ATOM 0 H LYS A 43 -3.894 -8.112 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.521 -5.560 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.077 -6.760 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.684 -7.801 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.948 -9.037 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.352 -8.049 -5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.582 -10.195 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.397 -8.932 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.996 -9.518 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.133 -10.741 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.290 -11.709 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.757 -11.915 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.624 -10.729 -9.638 1.00 0.00 H new ATOM 677 N GLU A 44 -6.523 -6.511 -3.603 1.00 0.00 N ATOM 678 CA GLU A 44 -7.550 -6.047 -2.669 1.00 0.00 C ATOM 679 C GLU A 44 -6.979 -4.969 -1.733 1.00 0.00 C ATOM 680 O GLU A 44 -7.585 -3.907 -1.590 1.00 0.00 O ATOM 681 CB GLU A 44 -8.115 -7.277 -1.933 1.00 0.00 C ATOM 682 CG GLU A 44 -8.923 -6.992 -0.658 1.00 0.00 C ATOM 683 CD GLU A 44 -10.203 -6.150 -0.844 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.682 -5.964 -1.987 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.778 -5.732 0.193 1.00 0.00 O ATOM 0 H GLU A 44 -6.099 -7.397 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.375 -5.563 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.751 -7.829 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.284 -7.932 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.201 -7.945 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.275 -6.480 0.053 1.00 0.00 H new ATOM 692 N LEU A 45 -5.781 -5.185 -1.171 1.00 0.00 N ATOM 693 CA LEU A 45 -5.059 -4.215 -0.338 1.00 0.00 C ATOM 694 C LEU A 45 -4.857 -2.882 -1.077 1.00 0.00 C ATOM 695 O LEU A 45 -5.288 -1.838 -0.590 1.00 0.00 O ATOM 696 CB LEU A 45 -3.746 -4.873 0.152 1.00 0.00 C ATOM 697 CG LEU A 45 -2.759 -3.920 0.868 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.073 -4.576 2.074 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.659 -3.452 -0.090 1.00 0.00 C ATOM 0 H LEU A 45 -5.275 -6.063 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.646 -3.952 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.998 -5.687 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.240 -5.318 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.360 -3.079 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.392 -3.862 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.827 -4.882 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.512 -5.450 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.978 -2.783 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.106 -4.316 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.109 -2.923 -0.930 1.00 0.00 H new ATOM 711 N LYS A 46 -4.299 -2.896 -2.294 1.00 0.00 N ATOM 712 CA LYS A 46 -4.071 -1.675 -3.090 1.00 0.00 C ATOM 713 C LYS A 46 -5.362 -0.972 -3.521 1.00 0.00 C ATOM 714 O LYS A 46 -5.338 0.231 -3.760 1.00 0.00 O ATOM 715 CB LYS A 46 -3.148 -1.972 -4.288 1.00 0.00 C ATOM 716 CG LYS A 46 -3.840 -2.755 -5.415 1.00 0.00 C ATOM 717 CD LYS A 46 -4.317 -1.881 -6.587 1.00 0.00 C ATOM 718 CE LYS A 46 -5.178 -2.718 -7.544 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.637 -1.919 -8.712 1.00 0.00 N ATOM 0 H LYS A 46 -3.992 -3.751 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.567 -0.965 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.771 -1.031 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.284 -2.539 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.151 -3.509 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.696 -3.287 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.893 -1.035 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.459 -1.471 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.604 -3.577 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.043 -3.109 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.215 -2.517 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.205 -1.114 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.812 -1.567 -9.238 1.00 0.00 H new ATOM 733 N SER A 47 -6.468 -1.713 -3.636 1.00 0.00 N ATOM 734 CA SER A 47 -7.782 -1.191 -4.048 1.00 0.00 C ATOM 735 C SER A 47 -8.506 -0.465 -2.907 1.00 0.00 C ATOM 736 O SER A 47 -9.233 0.500 -3.152 1.00 0.00 O ATOM 737 CB SER A 47 -8.649 -2.335 -4.590 1.00 0.00 C ATOM 738 OG SER A 47 -9.875 -1.850 -5.110 1.00 0.00 O ATOM 0 H SER A 47 -6.479 -2.714 -3.442 1.00 0.00 H new ATOM 0 HA SER A 47 -7.612 -0.456 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.106 -2.868 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.848 -3.052 -3.794 1.00 0.00 H new ATOM 0 HG SER A 47 -10.406 -2.600 -5.450 1.00 0.00 H new ATOM 744 N VAL A 48 -8.252 -0.852 -1.649 1.00 0.00 N ATOM 745 CA VAL A 48 -8.772 -0.142 -0.466 1.00 0.00 C ATOM 746 C VAL A 48 -7.845 0.980 0.033 1.00 0.00 C ATOM 747 O VAL A 48 -8.314 1.891 0.716 1.00 0.00 O ATOM 748 CB VAL A 48 -9.136 -1.134 0.655 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.906 -1.809 1.244 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.851 -0.450 1.816 1.00 0.00 C ATOM 0 H VAL A 48 -7.681 -1.665 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.685 0.361 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.787 -1.868 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.211 -2.499 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.383 -2.359 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.242 -1.053 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.088 -1.188 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.204 0.318 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.772 0.009 1.457 1.00 0.00 H new ATOM 760 N ILE A 49 -6.551 0.985 -0.327 1.00 0.00 N ATOM 761 CA ILE A 49 -5.633 2.080 0.045 1.00 0.00 C ATOM 762 C ILE A 49 -6.200 3.464 -0.347 1.00 0.00 C ATOM 763 O ILE A 49 -6.222 4.347 0.513 1.00 0.00 O ATOM 764 CB ILE A 49 -4.189 1.884 -0.501 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.432 0.848 0.360 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.370 3.197 -0.518 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.035 0.458 -0.143 1.00 0.00 C ATOM 0 H ILE A 49 -6.115 0.244 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.556 2.045 1.132 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.293 1.536 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.337 1.244 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.039 -0.055 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.372 2.998 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.869 3.929 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.291 3.590 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.595 -0.273 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.115 0.026 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.402 1.344 -0.181 1.00 0.00 H new ATOM 779 N PRO A 50 -6.700 3.688 -1.584 1.00 0.00 N ATOM 780 CA PRO A 50 -7.265 4.983 -1.964 1.00 0.00 C ATOM 781 C PRO A 50 -8.633 5.244 -1.307 1.00 0.00 C ATOM 782 O PRO A 50 -9.012 6.396 -1.116 1.00 0.00 O ATOM 783 CB PRO A 50 -7.373 4.948 -3.493 1.00 0.00 C ATOM 784 CG PRO A 50 -7.549 3.463 -3.802 1.00 0.00 C ATOM 785 CD PRO A 50 -6.717 2.782 -2.729 1.00 0.00 C ATOM 0 HA PRO A 50 -6.631 5.800 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.219 5.536 -3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.480 5.354 -3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.596 3.163 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.195 3.216 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.148 1.819 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.706 2.588 -3.086 1.00 0.00 H new ATOM 793 N ASP A 51 -9.371 4.208 -0.897 1.00 0.00 N ATOM 794 CA ASP A 51 -10.626 4.342 -0.137 1.00 0.00 C ATOM 795 C ASP A 51 -10.403 4.947 1.260 1.00 0.00 C ATOM 796 O ASP A 51 -11.254 5.692 1.754 1.00 0.00 O ATOM 797 CB ASP A 51 -11.318 2.975 -0.008 1.00 0.00 C ATOM 798 CG ASP A 51 -12.642 2.895 -0.779 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.641 3.059 -2.022 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.683 2.646 -0.129 1.00 0.00 O ATOM 0 H ASP A 51 -9.114 3.239 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.265 5.028 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.645 2.198 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.505 2.767 1.046 1.00 0.00 H new ATOM 805 N ALA A 52 -9.236 4.711 1.874 1.00 0.00 N ATOM 806 CA ALA A 52 -8.803 5.400 3.093 1.00 0.00 C ATOM 807 C ALA A 52 -8.579 6.919 2.898 1.00 0.00 C ATOM 808 O ALA A 52 -8.436 7.651 3.879 1.00 0.00 O ATOM 809 CB ALA A 52 -7.555 4.703 3.646 1.00 0.00 C ATOM 0 H ALA A 52 -8.560 4.028 1.533 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.612 5.331 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.227 5.210 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.790 3.664 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.759 4.738 2.902 1.00 0.00 H new ATOM 815 N LEU A 53 -8.596 7.397 1.648 1.00 0.00 N ATOM 816 CA LEU A 53 -8.449 8.804 1.256 1.00 0.00 C ATOM 817 C LEU A 53 -9.774 9.362 0.691 1.00 0.00 C ATOM 818 O LEU A 53 -10.094 10.533 0.901 1.00 0.00 O ATOM 819 CB LEU A 53 -7.316 8.941 0.209 1.00 0.00 C ATOM 820 CG LEU A 53 -6.072 8.048 0.410 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.102 8.179 -0.763 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.313 8.372 1.695 1.00 0.00 C ATOM 0 H LEU A 53 -8.719 6.783 0.843 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.190 9.385 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.734 8.725 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.989 9.981 0.196 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.452 7.028 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.236 7.539 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.601 7.877 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.775 9.215 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.449 7.713 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.978 9.409 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.970 8.225 2.552 1.00 0.00 H new ATOM 834 N SER A 54 -10.563 8.520 0.008 1.00 0.00 N ATOM 835 CA SER A 54 -11.839 8.884 -0.629 1.00 0.00 C ATOM 836 C SER A 54 -13.010 8.971 0.365 1.00 0.00 C ATOM 837 O SER A 54 -13.858 9.861 0.264 1.00 0.00 O ATOM 838 CB SER A 54 -12.177 7.834 -1.699 1.00 0.00 C ATOM 839 OG SER A 54 -13.132 8.331 -2.622 1.00 0.00 O ATOM 0 H SER A 54 -10.324 7.537 -0.121 1.00 0.00 H new ATOM 0 HA SER A 54 -11.709 9.875 -1.063 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.269 7.547 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.564 6.935 -1.220 1.00 0.00 H new ATOM 0 HG SER A 54 -13.328 7.643 -3.292 1.00 0.00 H new ATOM 845 N ASN A 55 -13.043 8.061 1.347 1.00 0.00 N ATOM 846 CA ASN A 55 -14.118 7.909 2.337 1.00 0.00 C ATOM 847 C ASN A 55 -13.593 7.393 3.694 1.00 0.00 C ATOM 848 O ASN A 55 -14.332 6.747 4.434 1.00 0.00 O ATOM 849 CB ASN A 55 -15.249 7.022 1.757 1.00 0.00 C ATOM 850 CG ASN A 55 -14.776 5.842 0.929 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.805 5.860 -0.293 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.336 4.782 1.559 1.00 0.00 N ATOM 0 H ASN A 55 -12.292 7.384 1.479 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.537 8.894 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.856 6.648 2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.897 7.644 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.017 3.970 1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.312 4.768 2.579 1.00 0.00 H new ATOM 859 N GLU A 56 -12.317 7.631 4.020 1.00 0.00 N ATOM 860 CA GLU A 56 -11.671 7.202 5.279 1.00 0.00 C ATOM 861 C GLU A 56 -11.889 5.706 5.611 1.00 0.00 C ATOM 862 O GLU A 56 -11.976 5.314 6.777 1.00 0.00 O ATOM 863 CB GLU A 56 -12.072 8.149 6.429 1.00 0.00 C ATOM 864 CG GLU A 56 -11.671 9.606 6.158 1.00 0.00 C ATOM 865 CD GLU A 56 -12.013 10.505 7.363 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.140 11.057 7.415 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.156 10.673 8.264 1.00 0.00 O ATOM 0 H GLU A 56 -11.684 8.140 3.403 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.593 7.283 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.150 8.095 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.602 7.812 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.602 9.660 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.187 9.970 5.270 1.00 0.00 H new ATOM 874 N CYS A 57 -11.997 4.862 4.573 1.00 0.00 N ATOM 875 CA CYS A 57 -12.304 3.430 4.662 1.00 0.00 C ATOM 876 C CYS A 57 -13.645 3.123 5.377 1.00 0.00 C ATOM 877 O CYS A 57 -13.810 2.066 5.979 1.00 0.00 O ATOM 878 CB CYS A 57 -11.103 2.702 5.303 1.00 0.00 C ATOM 879 SG CYS A 57 -10.667 1.052 4.676 1.00 0.00 S ATOM 0 H CYS A 57 -11.867 5.174 3.610 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.455 3.050 3.652 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.228 3.342 5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.300 2.611 6.371 1.00 0.00 H new ATOM 884 N ALA A 58 -14.633 4.022 5.360 1.00 0.00 N ATOM 885 CA ALA A 58 -15.888 3.834 6.094 1.00 0.00 C ATOM 886 C ALA A 58 -16.703 2.601 5.649 1.00 0.00 C ATOM 887 O ALA A 58 -17.392 1.988 6.469 1.00 0.00 O ATOM 888 CB ALA A 58 -16.707 5.127 5.975 1.00 0.00 C ATOM 0 H ALA A 58 -14.586 4.898 4.839 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.641 3.628 7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.648 5.013 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.142 5.956 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.913 5.332 4.924 1.00 0.00 H new ATOM 894 N LYS A 59 -16.586 2.201 4.374 1.00 0.00 N ATOM 895 CA LYS A 59 -17.212 0.988 3.810 1.00 0.00 C ATOM 896 C LYS A 59 -16.503 -0.331 4.177 1.00 0.00 C ATOM 897 O LYS A 59 -17.026 -1.409 3.892 1.00 0.00 O ATOM 898 CB LYS A 59 -17.297 1.130 2.275 1.00 0.00 C ATOM 899 CG LYS A 59 -18.151 2.313 1.776 1.00 0.00 C ATOM 900 CD LYS A 59 -19.620 2.304 2.235 1.00 0.00 C ATOM 901 CE LYS A 59 -20.361 1.033 1.796 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.796 1.071 2.186 1.00 0.00 N ATOM 0 H LYS A 59 -16.041 2.722 3.687 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.203 0.919 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.287 1.238 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.705 0.207 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.688 3.241 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.128 2.322 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.659 2.388 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.130 3.178 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.280 0.920 0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.885 0.161 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.264 0.197 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.873 1.154 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.256 1.889 1.738 1.00 0.00 H new ATOM 916 N CYS A 60 -15.309 -0.260 4.766 1.00 0.00 N ATOM 917 CA CYS A 60 -14.410 -1.380 5.018 1.00 0.00 C ATOM 918 C CYS A 60 -14.811 -2.248 6.221 1.00 0.00 C ATOM 919 O CYS A 60 -15.558 -1.830 7.110 1.00 0.00 O ATOM 920 CB CYS A 60 -13.028 -0.775 5.283 1.00 0.00 C ATOM 921 SG CYS A 60 -12.363 0.204 3.916 1.00 0.00 S ATOM 0 H CYS A 60 -14.926 0.626 5.096 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.437 -2.042 4.152 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.085 -0.145 6.170 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.330 -1.581 5.509 1.00 0.00 H new ATOM 926 N ASN A 61 -14.206 -3.433 6.290 1.00 0.00 N ATOM 927 CA ASN A 61 -14.071 -4.226 7.518 1.00 0.00 C ATOM 928 C ASN A 61 -12.895 -3.719 8.374 1.00 0.00 C ATOM 929 O ASN A 61 -11.925 -3.166 7.852 1.00 0.00 O ATOM 930 CB ASN A 61 -13.910 -5.724 7.175 1.00 0.00 C ATOM 931 CG ASN A 61 -12.790 -6.054 6.196 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.672 -5.480 5.126 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.945 -7.010 6.503 1.00 0.00 N ATOM 0 H ASN A 61 -13.785 -3.882 5.476 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.980 -4.109 8.107 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.735 -6.274 8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.850 -6.088 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.203 -7.264 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.030 -7.499 7.394 1.00 0.00 H new ATOM 940 N GLU A 62 -12.953 -3.954 9.689 1.00 0.00 N ATOM 941 CA GLU A 62 -11.949 -3.486 10.664 1.00 0.00 C ATOM 942 C GLU A 62 -10.499 -3.871 10.320 1.00 0.00 C ATOM 943 O GLU A 62 -9.573 -3.098 10.579 1.00 0.00 O ATOM 944 CB GLU A 62 -12.311 -3.960 12.087 1.00 0.00 C ATOM 945 CG GLU A 62 -12.490 -5.482 12.231 1.00 0.00 C ATOM 946 CD GLU A 62 -12.478 -5.923 13.706 1.00 0.00 C ATOM 947 OE1 GLU A 62 -13.437 -5.609 14.453 1.00 0.00 O ATOM 948 OE2 GLU A 62 -11.510 -6.609 14.118 1.00 0.00 O ATOM 0 H GLU A 62 -13.711 -4.484 10.119 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.983 -2.398 10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.530 -3.633 12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.234 -3.468 12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.431 -5.782 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.693 -5.994 11.692 1.00 0.00 H new ATOM 955 N LYS A 63 -10.298 -5.037 9.687 1.00 0.00 N ATOM 956 CA LYS A 63 -8.961 -5.532 9.316 1.00 0.00 C ATOM 957 C LYS A 63 -8.300 -4.652 8.259 1.00 0.00 C ATOM 958 O LYS A 63 -7.119 -4.336 8.372 1.00 0.00 O ATOM 959 CB LYS A 63 -9.035 -6.991 8.835 1.00 0.00 C ATOM 960 CG LYS A 63 -9.662 -7.991 9.828 1.00 0.00 C ATOM 961 CD LYS A 63 -9.150 -7.868 11.273 1.00 0.00 C ATOM 962 CE LYS A 63 -9.773 -8.961 12.152 1.00 0.00 C ATOM 963 NZ LYS A 63 -9.658 -8.634 13.596 1.00 0.00 N ATOM 0 H LYS A 63 -11.056 -5.664 9.418 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.340 -5.489 10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.608 -7.020 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.026 -7.328 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.743 -7.853 9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.469 -9.004 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.063 -7.953 11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.399 -6.885 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.824 -9.085 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.280 -9.913 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.059 -9.410 14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.656 -8.507 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.178 -7.756 13.796 1.00 0.00 H new ATOM 977 N GLN A 64 -9.076 -4.205 7.273 1.00 0.00 N ATOM 978 CA GLN A 64 -8.647 -3.220 6.271 1.00 0.00 C ATOM 979 C GLN A 64 -8.488 -1.818 6.874 1.00 0.00 C ATOM 980 O GLN A 64 -7.454 -1.191 6.654 1.00 0.00 O ATOM 981 CB GLN A 64 -9.646 -3.176 5.104 1.00 0.00 C ATOM 982 CG GLN A 64 -9.809 -4.497 4.337 1.00 0.00 C ATOM 983 CD GLN A 64 -8.607 -4.882 3.484 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.466 -4.940 3.920 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.813 -5.189 2.227 1.00 0.00 N ATOM 0 H GLN A 64 -10.037 -4.520 7.142 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.671 -3.536 5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.620 -2.876 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.329 -2.404 4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.003 -5.297 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.687 -4.424 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.756 -5.148 1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.031 -5.469 1.635 1.00 0.00 H new ATOM 994 N LYS A 65 -9.466 -1.351 7.672 1.00 0.00 N ATOM 995 CA LYS A 65 -9.427 -0.036 8.356 1.00 0.00 C ATOM 996 C LYS A 65 -8.136 0.188 9.149 1.00 0.00 C ATOM 997 O LYS A 65 -7.495 1.228 9.001 1.00 0.00 O ATOM 998 CB LYS A 65 -10.621 0.158 9.310 1.00 0.00 C ATOM 999 CG LYS A 65 -11.976 0.282 8.608 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.086 0.639 9.606 1.00 0.00 C ATOM 1001 CE LYS A 65 -14.428 0.774 8.880 1.00 0.00 C ATOM 1002 NZ LYS A 65 -15.534 1.125 9.810 1.00 0.00 N ATOM 0 H LYS A 65 -10.317 -1.879 7.865 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.477 0.697 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.659 -0.684 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.451 1.054 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.919 1.047 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.218 -0.657 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.156 -0.131 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.843 1.573 10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.347 1.540 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.663 -0.163 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.423 1.206 9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.630 0.382 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.324 2.032 10.273 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.744 -0.781 9.978 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.461 -0.743 10.692 1.00 0.00 C ATOM 1018 C GLU A 66 -5.281 -1.058 9.763 1.00 0.00 C ATOM 1019 O GLU A 66 -4.249 -0.389 9.834 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.470 -1.738 11.864 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.403 -1.296 13.000 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.288 -2.239 14.214 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.223 -2.245 14.881 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -8.261 -2.968 14.525 1.00 0.00 O ATOM 0 H GLU A 66 -8.302 -1.612 10.175 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.334 0.271 11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.781 -2.718 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.457 -1.848 12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.156 -0.278 13.302 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.433 -1.282 12.644 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.436 -2.061 8.892 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.395 -2.607 8.023 1.00 0.00 C ATOM 1033 C GLY A 67 -3.792 -1.596 7.055 1.00 0.00 C ATOM 1034 O GLY A 67 -2.606 -1.296 7.146 1.00 0.00 O ATOM 0 H GLY A 67 -6.332 -2.534 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.599 -3.018 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.813 -3.435 7.451 1.00 0.00 H new ATOM 1038 N THR A 68 -4.572 -1.010 6.146 1.00 0.00 N ATOM 1039 CA THR A 68 -3.999 -0.056 5.180 1.00 0.00 C ATOM 1040 C THR A 68 -3.453 1.198 5.857 1.00 0.00 C ATOM 1041 O THR A 68 -2.422 1.706 5.423 1.00 0.00 O ATOM 1042 CB THR A 68 -4.983 0.337 4.077 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.181 0.841 4.621 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.280 -0.879 3.205 1.00 0.00 C ATOM 0 H THR A 68 -5.575 -1.169 6.054 1.00 0.00 H new ATOM 0 HA THR A 68 -3.169 -0.587 4.715 1.00 0.00 H new ATOM 0 HB THR A 68 -4.530 1.123 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.629 0.137 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.981 -0.600 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.355 -1.239 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.717 -1.668 3.817 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.064 1.645 6.965 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.588 2.764 7.800 1.00 0.00 C ATOM 1054 C LYS A 69 -2.204 2.504 8.409 1.00 0.00 C ATOM 1055 O LYS A 69 -1.329 3.360 8.308 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.667 3.078 8.855 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.392 4.323 9.723 1.00 0.00 C ATOM 1058 CD LYS A 69 -3.570 4.086 11.007 1.00 0.00 C ATOM 1059 CE LYS A 69 -4.209 3.118 12.017 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.463 3.660 12.609 1.00 0.00 N ATOM 0 H LYS A 69 -4.926 1.228 7.316 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.441 3.644 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.622 3.213 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.774 2.214 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.869 5.059 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.349 4.764 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.590 3.701 10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.407 5.045 11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.424 2.171 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.496 2.906 12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.855 2.971 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.256 4.550 13.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.155 3.838 11.853 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.961 1.331 9.009 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.621 0.953 9.513 1.00 0.00 C ATOM 1076 C LYS A 70 0.370 0.739 8.368 1.00 0.00 C ATOM 1077 O LYS A 70 1.502 1.213 8.432 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.679 -0.241 10.498 1.00 0.00 C ATOM 1079 CG LYS A 70 -1.071 -1.598 9.883 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.145 -2.794 10.840 1.00 0.00 C ATOM 1081 CE LYS A 70 -2.206 -2.586 11.929 1.00 0.00 C ATOM 1082 NZ LYS A 70 -2.310 -3.765 12.829 1.00 0.00 N ATOM 0 H LYS A 70 -2.676 0.619 9.161 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.243 1.794 10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.298 -0.346 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.391 -0.002 11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.043 -1.486 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.354 -1.835 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.375 -3.698 10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.171 -2.948 11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.957 -1.702 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.173 -2.397 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.037 -3.587 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.572 -4.604 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.394 -3.930 13.293 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.039 0.056 7.303 1.00 0.00 N ATOM 1097 CA VAL A 71 0.818 -0.287 6.150 1.00 0.00 C ATOM 1098 C VAL A 71 1.319 0.952 5.420 1.00 0.00 C ATOM 1099 O VAL A 71 2.511 1.035 5.141 1.00 0.00 O ATOM 1100 CB VAL A 71 0.064 -1.246 5.217 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.780 -1.511 3.887 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.122 -2.579 5.953 1.00 0.00 C ATOM 0 H VAL A 71 -0.995 -0.286 7.206 1.00 0.00 H new ATOM 0 HA VAL A 71 1.710 -0.794 6.518 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.885 -0.772 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.185 -2.197 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.907 -0.572 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.757 -1.953 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.656 -3.278 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.854 -2.993 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.696 -2.414 6.865 1.00 0.00 H new ATOM 1112 N LEU A 72 0.460 1.955 5.233 1.00 0.00 N ATOM 1113 CA LEU A 72 0.797 3.276 4.698 1.00 0.00 C ATOM 1114 C LEU A 72 2.037 3.876 5.365 1.00 0.00 C ATOM 1115 O LEU A 72 2.935 4.334 4.662 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.476 4.142 4.794 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.383 5.662 5.001 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.751 6.240 4.645 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.106 6.047 6.460 1.00 0.00 C ATOM 0 H LEU A 72 -0.531 1.866 5.459 1.00 0.00 H new ATOM 0 HA LEU A 72 1.094 3.214 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.044 3.978 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.073 3.744 5.615 1.00 0.00 H new ATOM 0 HG LEU A 72 0.434 6.041 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.734 7.322 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.987 6.005 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.510 5.807 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.051 7.132 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.910 5.673 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.840 5.609 6.778 1.00 0.00 H new ATOM 1131 N LYS A 73 2.129 3.805 6.701 1.00 0.00 N ATOM 1132 CA LYS A 73 3.199 4.436 7.488 1.00 0.00 C ATOM 1133 C LYS A 73 4.545 3.727 7.303 1.00 0.00 C ATOM 1134 O LYS A 73 5.581 4.370 7.126 1.00 0.00 O ATOM 1135 CB LYS A 73 2.757 4.424 8.965 1.00 0.00 C ATOM 1136 CG LYS A 73 3.745 5.095 9.933 1.00 0.00 C ATOM 1137 CD LYS A 73 4.086 6.550 9.579 1.00 0.00 C ATOM 1138 CE LYS A 73 2.870 7.492 9.513 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.198 7.651 10.834 1.00 0.00 N ATOM 0 H LYS A 73 1.452 3.300 7.274 1.00 0.00 H new ATOM 0 HA LYS A 73 3.354 5.459 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.792 4.925 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.607 3.391 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.326 5.067 10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.666 4.513 9.955 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.789 6.935 10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.595 6.567 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.191 8.469 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.153 7.105 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.387 8.294 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.866 6.724 11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.872 8.046 11.521 1.00 0.00 H new ATOM 1153 N HIS A 74 4.515 2.394 7.299 1.00 0.00 N ATOM 1154 CA HIS A 74 5.669 1.540 6.998 1.00 0.00 C ATOM 1155 C HIS A 74 6.133 1.727 5.554 1.00 0.00 C ATOM 1156 O HIS A 74 7.325 1.904 5.331 1.00 0.00 O ATOM 1157 CB HIS A 74 5.330 0.062 7.245 1.00 0.00 C ATOM 1158 CG HIS A 74 4.979 -0.279 8.671 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.716 -0.196 9.218 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.792 -0.862 9.603 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.739 -0.758 10.436 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.003 -1.141 10.710 1.00 0.00 N ATOM 0 H HIS A 74 3.669 1.864 7.509 1.00 0.00 H new ATOM 0 HA HIS A 74 6.479 1.836 7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.493 -0.216 6.604 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.181 -0.547 6.940 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.900 0.223 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.847 -1.066 9.498 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.887 -0.883 11.088 1.00 0.00 H new ATOM 1171 N LEU A 75 5.220 1.735 4.582 1.00 0.00 N ATOM 1172 CA LEU A 75 5.552 1.880 3.161 1.00 0.00 C ATOM 1173 C LEU A 75 6.270 3.210 2.887 1.00 0.00 C ATOM 1174 O LEU A 75 7.318 3.208 2.250 1.00 0.00 O ATOM 1175 CB LEU A 75 4.273 1.779 2.307 1.00 0.00 C ATOM 1176 CG LEU A 75 4.071 0.415 1.626 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.218 -0.771 2.586 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.691 0.402 0.966 1.00 0.00 C ATOM 0 H LEU A 75 4.220 1.640 4.759 1.00 0.00 H new ATOM 0 HA LEU A 75 6.231 1.072 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.410 1.987 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.300 2.554 1.541 1.00 0.00 H new ATOM 0 HG LEU A 75 4.858 0.293 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.063 -1.702 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.218 -0.766 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.477 -0.689 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.530 -0.559 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.923 0.556 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.634 1.200 0.225 1.00 0.00 H new ATOM 1190 N ILE A 76 5.766 4.332 3.416 1.00 0.00 N ATOM 1191 CA ILE A 76 6.431 5.639 3.264 1.00 0.00 C ATOM 1192 C ILE A 76 7.823 5.673 3.930 1.00 0.00 C ATOM 1193 O ILE A 76 8.742 6.288 3.389 1.00 0.00 O ATOM 1194 CB ILE A 76 5.473 6.785 3.685 1.00 0.00 C ATOM 1195 CG1 ILE A 76 5.973 8.183 3.290 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.047 6.819 5.159 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.835 8.909 4.331 1.00 0.00 C ATOM 0 H ILE A 76 4.900 4.364 3.954 1.00 0.00 H new ATOM 0 HA ILE A 76 6.649 5.804 2.209 1.00 0.00 H new ATOM 0 HB ILE A 76 4.585 6.527 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.549 8.094 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.108 8.807 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.379 7.664 5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.529 5.893 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.929 6.924 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.130 9.884 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.262 9.041 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.726 8.318 4.541 1.00 0.00 H new ATOM 1209 N ASN A 77 8.024 4.954 5.044 1.00 0.00 N ATOM 1210 CA ASN A 77 9.328 4.846 5.726 1.00 0.00 C ATOM 1211 C ASN A 77 10.325 3.861 5.074 1.00 0.00 C ATOM 1212 O ASN A 77 11.532 4.109 5.099 1.00 0.00 O ATOM 1213 CB ASN A 77 9.096 4.477 7.206 1.00 0.00 C ATOM 1214 CG ASN A 77 8.818 5.711 8.047 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.685 6.235 8.730 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.617 6.235 8.006 1.00 0.00 N ATOM 0 H ASN A 77 7.282 4.426 5.503 1.00 0.00 H new ATOM 0 HA ASN A 77 9.802 5.823 5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.257 3.786 7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.973 3.959 7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.409 7.077 8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.890 5.801 7.437 1.00 0.00 H new ATOM 1223 N HIS A 78 9.847 2.753 4.494 1.00 0.00 N ATOM 1224 CA HIS A 78 10.683 1.626 4.020 1.00 0.00 C ATOM 1225 C HIS A 78 10.771 1.480 2.496 1.00 0.00 C ATOM 1226 O HIS A 78 11.720 0.882 1.985 1.00 0.00 O ATOM 1227 CB HIS A 78 10.166 0.318 4.636 1.00 0.00 C ATOM 1228 CG HIS A 78 10.403 0.219 6.127 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.634 0.065 6.740 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.452 0.276 7.114 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.440 0.035 8.074 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.120 0.163 8.324 1.00 0.00 N ATOM 0 H HIS A 78 8.850 2.605 4.335 1.00 0.00 H new ATOM 0 HA HIS A 78 11.698 1.850 4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.098 0.230 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.651 -0.524 4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.387 0.388 6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.214 -0.074 8.820 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.687 0.175 9.247 1.00 0.00 H new ATOM 1241 N LYS A 79 9.824 2.069 1.768 1.00 0.00 N ATOM 1242 CA LYS A 79 9.791 2.206 0.303 1.00 0.00 C ATOM 1243 C LYS A 79 9.519 3.665 -0.104 1.00 0.00 C ATOM 1244 O LYS A 79 8.579 3.923 -0.851 1.00 0.00 O ATOM 1245 CB LYS A 79 8.780 1.190 -0.284 1.00 0.00 C ATOM 1246 CG LYS A 79 9.325 -0.233 -0.473 1.00 0.00 C ATOM 1247 CD LYS A 79 10.231 -0.389 -1.709 1.00 0.00 C ATOM 1248 CE LYS A 79 11.644 0.184 -1.510 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.633 -0.410 -2.452 1.00 0.00 N ATOM 0 H LYS A 79 9.006 2.491 2.207 1.00 0.00 H new ATOM 0 HA LYS A 79 10.766 1.966 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.910 1.146 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.433 1.561 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.886 -0.519 0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.487 -0.925 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.309 -1.446 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.762 0.108 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.618 1.265 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.967 0.001 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.570 0.007 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.679 -1.438 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.341 -0.214 -3.431 1.00 0.00 H new ATOM 1263 N PRO A 80 10.341 4.632 0.347 1.00 0.00 N ATOM 1264 CA PRO A 80 10.123 6.062 0.092 1.00 0.00 C ATOM 1265 C PRO A 80 10.135 6.409 -1.410 1.00 0.00 C ATOM 1266 O PRO A 80 9.278 7.157 -1.885 1.00 0.00 O ATOM 1267 CB PRO A 80 11.240 6.773 0.868 1.00 0.00 C ATOM 1268 CG PRO A 80 12.356 5.735 0.940 1.00 0.00 C ATOM 1269 CD PRO A 80 11.597 4.419 1.057 1.00 0.00 C ATOM 0 HA PRO A 80 9.134 6.381 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.568 7.678 0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.908 7.072 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.987 5.759 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.007 5.902 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.163 3.598 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.419 4.159 2.101 1.00 0.00 H new ATOM 1277 N ASP A 81 11.052 5.805 -2.175 1.00 0.00 N ATOM 1278 CA ASP A 81 11.170 5.990 -3.631 1.00 0.00 C ATOM 1279 C ASP A 81 9.938 5.499 -4.416 1.00 0.00 C ATOM 1280 O ASP A 81 9.525 6.134 -5.389 1.00 0.00 O ATOM 1281 CB ASP A 81 12.408 5.241 -4.149 1.00 0.00 C ATOM 1282 CG ASP A 81 13.728 5.798 -3.595 1.00 0.00 C ATOM 1283 OD1 ASP A 81 14.187 5.309 -2.534 1.00 0.00 O ATOM 1284 OD2 ASP A 81 14.329 6.692 -4.237 1.00 0.00 O ATOM 0 H ASP A 81 11.747 5.162 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 81 11.255 7.064 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.325 4.187 -3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.427 5.294 -5.238 1.00 0.00 H new ATOM 1289 N VAL A 82 9.348 4.365 -4.014 1.00 0.00 N ATOM 1290 CA VAL A 82 8.131 3.811 -4.641 1.00 0.00 C ATOM 1291 C VAL A 82 6.864 4.478 -4.107 1.00 0.00 C ATOM 1292 O VAL A 82 5.939 4.739 -4.874 1.00 0.00 O ATOM 1293 CB VAL A 82 8.055 2.284 -4.482 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.779 1.733 -5.122 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.260 1.603 -5.147 1.00 0.00 C ATOM 0 H VAL A 82 9.700 3.800 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 82 8.197 4.032 -5.706 1.00 0.00 H new ATOM 0 HB VAL A 82 8.055 2.071 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.747 0.651 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.909 2.179 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.771 1.976 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.183 0.523 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.273 1.844 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.180 1.958 -4.683 1.00 0.00 H new ATOM 1305 N TRP A 83 6.823 4.826 -2.818 1.00 0.00 N ATOM 1306 CA TRP A 83 5.734 5.601 -2.221 1.00 0.00 C ATOM 1307 C TRP A 83 5.435 6.886 -3.003 1.00 0.00 C ATOM 1308 O TRP A 83 4.274 7.144 -3.307 1.00 0.00 O ATOM 1309 CB TRP A 83 6.060 5.923 -0.761 1.00 0.00 C ATOM 1310 CG TRP A 83 5.194 7.001 -0.195 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.578 8.277 0.031 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.762 6.963 0.072 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.497 9.019 0.465 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.348 8.262 0.494 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.768 5.966 -0.035 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.017 8.551 0.816 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.422 6.258 0.254 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.054 7.542 0.682 1.00 0.00 C ATOM 0 H TRP A 83 7.554 4.574 -2.153 1.00 0.00 H new ATOM 0 HA TRP A 83 4.834 4.988 -2.264 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.946 5.020 -0.161 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.104 6.226 -0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.579 8.659 -0.107 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.544 10.003 0.730 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.044 4.968 -0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.737 9.535 1.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.670 5.491 0.146 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.020 7.755 0.910 1.00 0.00 H new ATOM 1329 N ALA A 84 6.459 7.643 -3.414 1.00 0.00 N ATOM 1330 CA ALA A 84 6.294 8.835 -4.252 1.00 0.00 C ATOM 1331 C ALA A 84 5.483 8.574 -5.544 1.00 0.00 C ATOM 1332 O ALA A 84 4.791 9.469 -6.026 1.00 0.00 O ATOM 1333 CB ALA A 84 7.685 9.398 -4.561 1.00 0.00 C ATOM 0 H ALA A 84 7.430 7.444 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 84 5.704 9.565 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.588 10.287 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.186 9.661 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.272 8.647 -5.089 1.00 0.00 H new ATOM 1339 N GLN A 85 5.524 7.350 -6.083 1.00 0.00 N ATOM 1340 CA GLN A 85 4.749 6.914 -7.256 1.00 0.00 C ATOM 1341 C GLN A 85 3.284 6.601 -6.902 1.00 0.00 C ATOM 1342 O GLN A 85 2.379 6.948 -7.664 1.00 0.00 O ATOM 1343 CB GLN A 85 5.428 5.695 -7.916 1.00 0.00 C ATOM 1344 CG GLN A 85 6.950 5.899 -8.017 1.00 0.00 C ATOM 1345 CD GLN A 85 7.657 4.958 -8.990 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.170 4.630 -10.064 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.848 4.503 -8.658 1.00 0.00 N ATOM 0 H GLN A 85 6.116 6.610 -5.705 1.00 0.00 H new ATOM 0 HA GLN A 85 4.732 7.740 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.216 4.797 -7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.012 5.537 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.146 6.927 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.387 5.770 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.265 4.769 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.353 3.885 -9.293 1.00 0.00 H new ATOM 1356 N LEU A 86 3.046 6.013 -5.719 1.00 0.00 N ATOM 1357 CA LEU A 86 1.702 5.804 -5.144 1.00 0.00 C ATOM 1358 C LEU A 86 0.993 7.152 -4.973 1.00 0.00 C ATOM 1359 O LEU A 86 0.009 7.418 -5.661 1.00 0.00 O ATOM 1360 CB LEU A 86 1.818 5.070 -3.782 1.00 0.00 C ATOM 1361 CG LEU A 86 0.553 4.504 -3.102 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.456 5.576 -2.687 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.157 3.456 -3.954 1.00 0.00 C ATOM 0 H LEU A 86 3.795 5.662 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 86 1.113 5.186 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.512 4.240 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.282 5.762 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 86 0.933 4.030 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.318 5.102 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.012 6.262 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.782 6.129 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.039 3.094 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.460 3.902 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.519 2.623 -4.145 1.00 0.00 H new ATOM 1375 N LYS A 87 1.530 8.036 -4.117 1.00 0.00 N ATOM 1376 CA LYS A 87 0.905 9.328 -3.783 1.00 0.00 C ATOM 1377 C LYS A 87 0.734 10.249 -4.993 1.00 0.00 C ATOM 1378 O LYS A 87 -0.178 11.061 -5.010 1.00 0.00 O ATOM 1379 CB LYS A 87 1.629 10.070 -2.646 1.00 0.00 C ATOM 1380 CG LYS A 87 3.157 10.050 -2.750 1.00 0.00 C ATOM 1381 CD LYS A 87 3.840 11.221 -2.046 1.00 0.00 C ATOM 1382 CE LYS A 87 3.914 12.452 -2.954 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.519 13.594 -2.228 1.00 0.00 N ATOM 0 H LYS A 87 2.414 7.875 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.091 9.064 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.291 11.106 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.336 9.626 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.528 9.117 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.440 10.056 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.293 11.470 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.846 10.929 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.505 12.223 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.915 12.719 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.703 14.371 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.865 13.920 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.414 13.293 -1.792 1.00 0.00 H new ATOM 1397 N ALA A 88 1.576 10.138 -6.016 1.00 0.00 N ATOM 1398 CA ALA A 88 1.457 10.945 -7.235 1.00 0.00 C ATOM 1399 C ALA A 88 0.201 10.590 -8.049 1.00 0.00 C ATOM 1400 O ALA A 88 -0.542 11.479 -8.472 1.00 0.00 O ATOM 1401 CB ALA A 88 2.715 10.764 -8.083 1.00 0.00 C ATOM 0 H ALA A 88 2.361 9.487 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 88 1.355 11.990 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.631 11.362 -8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.587 11.088 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.826 9.713 -8.350 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.061 9.288 -8.234 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.279 8.776 -8.882 1.00 0.00 C ATOM 1409 C LYS A 89 -2.513 8.941 -7.983 1.00 0.00 C ATOM 1410 O LYS A 89 -3.595 9.272 -8.468 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.031 7.304 -9.266 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.178 6.695 -10.090 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.905 5.239 -10.507 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.715 5.053 -11.465 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.961 5.661 -12.802 1.00 0.00 N ATOM 0 H LYS A 89 0.576 8.550 -7.934 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.493 9.354 -9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.105 7.234 -9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.891 6.716 -8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.099 6.735 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.339 7.300 -10.983 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.727 4.646 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.801 4.838 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.176 5.500 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.512 3.989 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.131 5.509 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.795 5.217 -13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.129 6.682 -12.694 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.345 8.715 -6.678 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.436 8.651 -5.696 1.00 0.00 C ATOM 1431 C TYR A 90 -3.811 10.020 -5.096 1.00 0.00 C ATOM 1432 O TYR A 90 -4.916 10.171 -4.573 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.066 7.642 -4.590 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.276 6.166 -4.923 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.187 5.659 -6.240 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.514 5.272 -3.863 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.336 4.281 -6.491 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.631 3.889 -4.109 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.564 3.388 -5.426 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.720 2.059 -5.673 1.00 0.00 O ATOM 0 H TYR A 90 -1.425 8.568 -6.262 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.328 8.316 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.018 7.788 -4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.651 7.879 -3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.003 6.335 -7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.608 5.648 -2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.275 3.908 -7.503 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.773 3.208 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.258 1.655 -4.961 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.930 11.019 -5.187 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.102 12.364 -4.626 1.00 0.00 C ATOM 1452 C ASP A 91 -2.314 13.426 -5.440 1.00 0.00 C ATOM 1453 O ASP A 91 -1.285 13.941 -4.984 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.695 12.376 -3.143 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.084 13.708 -2.459 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.738 14.577 -3.091 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.696 13.919 -1.288 1.00 0.00 O ATOM 0 H ASP A 91 -2.040 10.910 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.157 12.631 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.176 11.546 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.619 12.223 -3.059 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.759 13.760 -6.668 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.022 14.622 -7.604 1.00 0.00 C ATOM 1464 C PRO A 92 -1.843 16.086 -7.147 1.00 0.00 C ATOM 1465 O PRO A 92 -1.113 16.841 -7.792 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.797 14.531 -8.925 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.223 14.237 -8.467 1.00 0.00 C ATOM 1468 CD PRO A 92 -4.006 13.314 -7.274 1.00 0.00 C ATOM 0 HA PRO A 92 -0.993 14.272 -7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.739 15.460 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.408 13.741 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.754 15.146 -8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.809 13.756 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.833 13.382 -6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.940 12.272 -7.589 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.466 16.493 -6.036 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.341 17.825 -5.422 1.00 0.00 C ATOM 1478 C ASP A 93 -1.655 17.795 -4.037 1.00 0.00 C ATOM 1479 O ASP A 93 -1.398 18.851 -3.452 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.734 18.469 -5.337 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.281 18.853 -6.721 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.812 19.866 -7.296 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.199 18.166 -7.233 1.00 0.00 O ATOM 0 H ASP A 93 -3.097 15.882 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.690 18.426 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.424 17.776 -4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.684 19.358 -4.708 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.328 16.608 -3.508 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.724 16.431 -2.177 1.00 0.00 C ATOM 1490 C GLY A 94 -1.626 16.854 -1.003 1.00 0.00 C ATOM 1491 O GLY A 94 -1.122 17.161 0.079 1.00 0.00 O ATOM 0 H GLY A 94 -1.478 15.727 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.454 15.382 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.201 17.006 -2.133 1.00 0.00 H new ATOM 1495 N THR A 95 -2.943 16.928 -1.217 1.00 0.00 N ATOM 1496 CA THR A 95 -3.935 17.470 -0.273 1.00 0.00 C ATOM 1497 C THR A 95 -4.074 16.651 1.018 1.00 0.00 C ATOM 1498 O THR A 95 -4.372 17.226 2.067 1.00 0.00 O ATOM 1499 CB THR A 95 -5.307 17.584 -0.967 1.00 0.00 C ATOM 1500 OG1 THR A 95 -5.186 18.326 -2.166 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.375 18.293 -0.131 1.00 0.00 C ATOM 0 H THR A 95 -3.367 16.600 -2.085 1.00 0.00 H new ATOM 0 HA THR A 95 -3.570 18.453 0.024 1.00 0.00 H new ATOM 0 HB THR A 95 -5.620 16.554 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.062 18.391 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.309 18.331 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.531 17.746 0.799 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.046 19.307 0.095 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.829 15.334 0.983 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.997 14.440 2.140 1.00 0.00 C ATOM 1511 C TYR A 96 -2.871 13.411 2.322 1.00 0.00 C ATOM 1512 O TYR A 96 -2.618 13.009 3.457 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.378 13.764 2.110 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.848 13.375 0.727 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.287 12.263 0.076 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.773 14.198 0.057 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.644 11.982 -1.253 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -7.126 13.921 -1.274 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.562 12.809 -1.938 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.897 12.538 -3.229 1.00 0.00 O ATOM 0 H TYR A 96 -3.506 14.853 0.143 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.932 15.082 3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.347 12.872 2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.110 14.439 2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.585 11.628 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.212 15.043 0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.214 11.128 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.829 14.558 -1.790 1.00 0.00 H new ATOM 0 HH TYR A 96 -7.541 13.205 -3.547 1.00 0.00 H new ATOM 1530 N SER A 97 -2.127 13.031 1.281 1.00 0.00 N ATOM 1531 CA SER A 97 -0.940 12.173 1.425 1.00 0.00 C ATOM 1532 C SER A 97 0.177 12.836 2.244 1.00 0.00 C ATOM 1533 O SER A 97 0.906 12.167 2.982 1.00 0.00 O ATOM 1534 CB SER A 97 -0.401 11.733 0.060 1.00 0.00 C ATOM 1535 OG SER A 97 -1.282 10.799 -0.541 1.00 0.00 O ATOM 0 H SER A 97 -2.325 13.305 0.319 1.00 0.00 H new ATOM 0 HA SER A 97 -1.270 11.292 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.283 12.601 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.587 11.287 0.178 1.00 0.00 H new ATOM 0 HG SER A 97 -0.926 10.528 -1.413 1.00 0.00 H new ATOM 1541 N LYS A 98 0.280 14.172 2.178 1.00 0.00 N ATOM 1542 CA LYS A 98 1.270 14.966 2.925 1.00 0.00 C ATOM 1543 C LYS A 98 1.102 14.898 4.455 1.00 0.00 C ATOM 1544 O LYS A 98 2.076 15.091 5.181 1.00 0.00 O ATOM 1545 CB LYS A 98 1.268 16.404 2.378 1.00 0.00 C ATOM 1546 CG LYS A 98 2.539 17.177 2.771 1.00 0.00 C ATOM 1547 CD LYS A 98 2.747 18.439 1.922 1.00 0.00 C ATOM 1548 CE LYS A 98 1.644 19.481 2.141 1.00 0.00 C ATOM 1549 NZ LYS A 98 1.908 20.722 1.363 1.00 0.00 N ATOM 0 H LYS A 98 -0.332 14.742 1.594 1.00 0.00 H new ATOM 0 HA LYS A 98 2.253 14.525 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.182 16.378 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.392 16.933 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.479 17.457 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.405 16.524 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.713 18.881 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.778 18.163 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.682 19.062 1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.575 19.722 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.144 21.407 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.815 21.133 1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.950 20.494 0.349 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.104 14.566 4.946 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.469 14.471 6.380 1.00 0.00 C ATOM 1565 C LYS A 99 0.411 13.514 7.198 1.00 0.00 C ATOM 1566 O LYS A 99 0.570 13.718 8.401 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.950 14.065 6.515 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.960 15.066 5.920 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.118 16.386 6.687 1.00 0.00 C ATOM 1570 CE LYS A 99 -3.690 16.172 8.096 1.00 0.00 C ATOM 1571 NZ LYS A 99 -3.956 17.462 8.783 1.00 0.00 N ATOM 0 H LYS A 99 -0.889 14.346 4.333 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.298 15.463 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.091 13.099 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.178 13.928 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.658 15.295 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.934 14.581 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.149 16.880 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.774 17.053 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.614 15.597 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.989 15.582 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.341 17.277 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.070 17.999 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.644 18.014 8.231 1.00 0.00 H new ATOM 1585 N TYR A 100 0.992 12.498 6.556 1.00 0.00 N ATOM 1586 CA TYR A 100 1.824 11.461 7.180 1.00 0.00 C ATOM 1587 C TYR A 100 3.138 11.217 6.421 1.00 0.00 C ATOM 1588 O TYR A 100 4.096 10.729 7.017 1.00 0.00 O ATOM 1589 CB TYR A 100 1.003 10.179 7.345 1.00 0.00 C ATOM 1590 CG TYR A 100 0.270 9.805 6.081 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -1.015 10.327 5.848 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.914 9.037 5.098 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.661 10.085 4.625 1.00 0.00 C ATOM 1594 CE2 TYR A 100 0.267 8.794 3.879 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.027 9.301 3.636 1.00 0.00 C ATOM 1596 OH TYR A 100 -1.678 8.982 2.483 1.00 0.00 O ATOM 0 H TYR A 100 0.894 12.368 5.549 1.00 0.00 H new ATOM 0 HA TYR A 100 2.125 11.814 8.166 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.663 9.362 7.635 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.285 10.311 8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.505 10.914 6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.900 8.637 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.642 10.498 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.764 8.212 3.117 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.467 9.555 2.383 1.00 0.00 H new ATOM 1606 N GLU A 101 3.240 11.620 5.148 1.00 0.00 N ATOM 1607 CA GLU A 101 4.525 11.737 4.441 1.00 0.00 C ATOM 1608 C GLU A 101 5.536 12.627 5.192 1.00 0.00 C ATOM 1609 O GLU A 101 6.734 12.346 5.188 1.00 0.00 O ATOM 1610 CB GLU A 101 4.271 12.284 3.032 1.00 0.00 C ATOM 1611 CG GLU A 101 5.542 12.419 2.186 1.00 0.00 C ATOM 1612 CD GLU A 101 5.254 12.943 0.771 1.00 0.00 C ATOM 1613 OE1 GLU A 101 4.233 13.631 0.534 1.00 0.00 O ATOM 1614 OE2 GLU A 101 6.062 12.659 -0.140 1.00 0.00 O ATOM 0 H GLU A 101 2.434 11.875 4.577 1.00 0.00 H new ATOM 0 HA GLU A 101 4.971 10.744 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.570 11.626 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.792 13.260 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.237 13.094 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.034 11.449 2.118 1.00 0.00 H new ATOM 1621 N ASP A 102 5.053 13.658 5.892 1.00 0.00 N ATOM 1622 CA ASP A 102 5.843 14.619 6.678 1.00 0.00 C ATOM 1623 C ASP A 102 6.749 13.965 7.743 1.00 0.00 C ATOM 1624 O ASP A 102 7.758 14.548 8.148 1.00 0.00 O ATOM 1625 CB ASP A 102 4.876 15.628 7.314 1.00 0.00 C ATOM 1626 CG ASP A 102 5.602 16.758 8.064 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.235 17.615 7.401 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.508 16.815 9.313 1.00 0.00 O ATOM 0 H ASP A 102 4.053 13.857 5.930 1.00 0.00 H new ATOM 0 HA ASP A 102 6.534 15.119 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.246 16.060 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.215 15.105 8.005 1.00 0.00 H new ATOM 1633 N ARG A 103 6.418 12.737 8.173 1.00 0.00 N ATOM 1634 CA ARG A 103 7.233 11.905 9.074 1.00 0.00 C ATOM 1635 C ARG A 103 8.625 11.573 8.513 1.00 0.00 C ATOM 1636 O ARG A 103 9.536 11.316 9.299 1.00 0.00 O ATOM 1637 CB ARG A 103 6.464 10.612 9.397 1.00 0.00 C ATOM 1638 CG ARG A 103 5.139 10.824 10.158 1.00 0.00 C ATOM 1639 CD ARG A 103 5.277 11.453 11.553 1.00 0.00 C ATOM 1640 NE ARG A 103 5.996 10.572 12.498 1.00 0.00 N ATOM 1641 CZ ARG A 103 6.039 10.696 13.813 1.00 0.00 C ATOM 1642 NH1 ARG A 103 5.439 11.668 14.442 1.00 0.00 N ATOM 1643 NH2 ARG A 103 6.691 9.829 14.535 1.00 0.00 N ATOM 0 H ARG A 103 5.549 12.281 7.895 1.00 0.00 H new ATOM 0 HA ARG A 103 7.407 12.485 9.980 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.252 10.089 8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.107 9.961 9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.490 11.458 9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.639 9.861 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.807 12.402 11.470 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.286 11.674 11.949 1.00 0.00 H new ATOM 0 HE ARG A 103 6.511 9.790 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.913 12.367 13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.496 11.729 15.459 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.172 9.050 14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.721 9.930 15.550 1.00 0.00 H new ATOM 1657 N GLU A 104 8.802 11.616 7.188 1.00 0.00 N ATOM 1658 CA GLU A 104 10.086 11.383 6.497 1.00 0.00 C ATOM 1659 C GLU A 104 10.444 12.498 5.502 1.00 0.00 C ATOM 1660 O GLU A 104 11.609 12.898 5.432 1.00 0.00 O ATOM 1661 CB GLU A 104 10.041 10.058 5.723 1.00 0.00 C ATOM 1662 CG GLU A 104 9.980 8.824 6.627 1.00 0.00 C ATOM 1663 CD GLU A 104 11.377 8.477 7.188 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.781 9.023 8.243 1.00 0.00 O ATOM 1665 OE2 GLU A 104 12.104 7.679 6.548 1.00 0.00 O ATOM 0 H GLU A 104 8.038 11.819 6.544 1.00 0.00 H new ATOM 0 HA GLU A 104 10.846 11.360 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.172 10.060 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.923 9.989 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.289 9.006 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.590 7.976 6.064 1.00 0.00 H new