USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 495 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 66 TYR OH : rot 180:sc= -0.0512 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.143) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -46:sc= 1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.4!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 58 GLN : amide:sc= -0.448 K(o=-0.45,f=-2.2) USER MOD Single : A 61 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-1.8) USER MOD Single : A 62 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.15) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.009) USER MOD Single : A 67 TYR OH : rot 165:sc= -2.04! USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.11 (180deg=-0.26) USER MOD Single : A 72 GLN : amide:sc= -0.612 K(o=-0.61,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 17 6.550 3.678 -10.494 1.00 0.00 N ATOM 181 CA ILE A 17 6.508 4.262 -9.159 1.00 0.00 C ATOM 182 C ILE A 17 7.283 5.574 -9.108 1.00 0.00 C ATOM 183 O ILE A 17 8.310 5.726 -9.771 1.00 0.00 O ATOM 184 CB ILE A 17 7.081 3.298 -8.104 1.00 0.00 C ATOM 185 CG1 ILE A 17 6.372 1.944 -8.180 1.00 0.00 C ATOM 186 CG2 ILE A 17 6.947 3.896 -6.712 1.00 0.00 C ATOM 187 CD1 ILE A 17 6.946 0.909 -7.238 1.00 0.00 C ATOM 0 HA ILE A 17 5.459 4.454 -8.932 1.00 0.00 H new ATOM 0 HB ILE A 17 8.140 3.144 -8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.315 2.083 -7.954 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.433 1.568 -9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.356 3.203 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.494 4.838 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.895 4.077 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.395 -0.026 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.996 0.741 -7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.861 1.265 -6.211 1.00 0.00 H new ATOM 199 N ILE A 18 6.786 6.518 -8.316 1.00 0.00 N ATOM 200 CA ILE A 18 7.434 7.816 -8.176 1.00 0.00 C ATOM 201 C ILE A 18 8.045 7.979 -6.789 1.00 0.00 C ATOM 202 O ILE A 18 7.414 7.701 -5.769 1.00 0.00 O ATOM 203 CB ILE A 18 6.445 8.970 -8.427 1.00 0.00 C ATOM 204 CG1 ILE A 18 5.799 8.826 -9.807 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.153 10.311 -8.305 1.00 0.00 C ATOM 206 CD1 ILE A 18 4.722 9.851 -10.080 1.00 0.00 C ATOM 0 H ILE A 18 5.937 6.408 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 18 8.224 7.856 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 18 5.660 8.926 -7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.572 8.910 -10.571 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.370 7.828 -9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.441 11.116 -8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.570 10.413 -7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.957 10.366 -9.039 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.309 9.688 -11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.930 9.753 -9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.150 10.852 -10.024 1.00 0.00 H new ATOM 218 N PRO A 19 9.304 8.442 -6.747 1.00 0.00 N ATOM 219 CA PRO A 19 10.028 8.654 -5.490 1.00 0.00 C ATOM 220 C PRO A 19 9.467 9.824 -4.689 1.00 0.00 C ATOM 221 O PRO A 19 9.705 10.991 -4.999 1.00 0.00 O ATOM 222 CB PRO A 19 11.456 8.957 -5.950 1.00 0.00 C ATOM 223 CG PRO A 19 11.302 9.502 -7.329 1.00 0.00 C ATOM 224 CD PRO A 19 10.116 8.794 -7.924 1.00 0.00 C ATOM 0 HA PRO A 19 9.953 7.793 -4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.940 9.678 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.072 8.058 -5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.142 10.580 -7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.200 9.325 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.568 9.437 -8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.416 7.909 -8.485 1.00 0.00 H new ATOM 232 N PRO A 20 8.703 9.507 -3.633 1.00 0.00 N ATOM 233 CA PRO A 20 8.093 10.518 -2.764 1.00 0.00 C ATOM 234 C PRO A 20 9.126 11.256 -1.920 1.00 0.00 C ATOM 235 O PRO A 20 10.285 10.852 -1.820 1.00 0.00 O ATOM 236 CB PRO A 20 7.157 9.701 -1.871 1.00 0.00 C ATOM 237 CG PRO A 20 7.749 8.334 -1.852 1.00 0.00 C ATOM 238 CD PRO A 20 8.377 8.136 -3.205 1.00 0.00 C ATOM 0 HA PRO A 20 7.586 11.295 -3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.100 10.122 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.142 9.687 -2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.492 8.241 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.985 7.580 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.268 7.510 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.691 7.650 -3.899 1.00 0.00 H new ATOM 246 N PRO A 21 8.699 12.364 -1.296 1.00 0.00 N ATOM 247 CA PRO A 21 9.572 13.181 -0.448 1.00 0.00 C ATOM 248 C PRO A 21 9.944 12.475 0.852 1.00 0.00 C ATOM 249 O PRO A 21 9.349 11.466 1.230 1.00 0.00 O ATOM 250 CB PRO A 21 8.724 14.422 -0.158 1.00 0.00 C ATOM 251 CG PRO A 21 7.315 13.960 -0.299 1.00 0.00 C ATOM 252 CD PRO A 21 7.331 12.904 -1.370 1.00 0.00 C ATOM 0 HA PRO A 21 10.522 13.401 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.916 14.807 0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.948 15.227 -0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.941 13.556 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.659 14.786 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.584 12.132 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.118 13.325 -2.353 1.00 0.00 H new ATOM 260 N PRO A 22 10.952 13.015 1.552 1.00 0.00 N ATOM 261 CA PRO A 22 11.426 12.453 2.821 1.00 0.00 C ATOM 262 C PRO A 22 10.415 12.634 3.948 1.00 0.00 C ATOM 263 O PRO A 22 10.547 12.035 5.015 1.00 0.00 O ATOM 264 CB PRO A 22 12.698 13.253 3.110 1.00 0.00 C ATOM 265 CG PRO A 22 12.506 14.544 2.392 1.00 0.00 C ATOM 266 CD PRO A 22 11.707 14.218 1.161 1.00 0.00 C ATOM 0 HA PRO A 22 11.589 11.377 2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.831 13.411 4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.585 12.729 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.981 15.265 3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.465 14.990 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.043 15.037 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.351 14.027 0.303 1.00 0.00 H new ATOM 274 N ASP A 23 9.406 13.462 3.704 1.00 0.00 N ATOM 275 CA ASP A 23 8.371 13.721 4.699 1.00 0.00 C ATOM 276 C ASP A 23 7.270 12.667 4.624 1.00 0.00 C ATOM 277 O ASP A 23 6.578 12.407 5.608 1.00 0.00 O ATOM 278 CB ASP A 23 7.774 15.114 4.495 1.00 0.00 C ATOM 279 CG ASP A 23 7.704 15.908 5.785 1.00 0.00 C ATOM 280 OD1 ASP A 23 6.773 15.664 6.581 1.00 0.00 O ATOM 281 OD2 ASP A 23 8.579 16.773 5.998 1.00 0.00 O ATOM 0 H ASP A 23 9.282 13.966 2.826 1.00 0.00 H new ATOM 0 HA ASP A 23 8.831 13.672 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.374 15.660 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.773 15.019 4.075 1.00 0.00 H new ATOM 286 N VAL A 24 7.114 12.064 3.450 1.00 0.00 N ATOM 287 CA VAL A 24 6.097 11.039 3.246 1.00 0.00 C ATOM 288 C VAL A 24 6.728 9.655 3.132 1.00 0.00 C ATOM 289 O VAL A 24 6.073 8.643 3.379 1.00 0.00 O ATOM 290 CB VAL A 24 5.265 11.317 1.981 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.135 10.307 1.852 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.720 12.738 2.003 1.00 0.00 C ATOM 0 H VAL A 24 7.679 12.267 2.625 1.00 0.00 H new ATOM 0 HA VAL A 24 5.441 11.066 4.116 1.00 0.00 H new ATOM 0 HB VAL A 24 5.914 11.214 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.558 10.520 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.551 9.302 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.485 10.375 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.134 12.917 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.086 12.871 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.549 13.445 2.044 1.00 0.00 H new ATOM 302 N GLN A 25 8.002 9.621 2.758 1.00 0.00 N ATOM 303 CA GLN A 25 8.721 8.361 2.611 1.00 0.00 C ATOM 304 C GLN A 25 8.582 7.505 3.866 1.00 0.00 C ATOM 305 O GLN A 25 8.128 6.361 3.820 1.00 0.00 O ATOM 306 CB GLN A 25 10.200 8.623 2.320 1.00 0.00 C ATOM 307 CG GLN A 25 10.624 8.223 0.917 1.00 0.00 C ATOM 308 CD GLN A 25 12.124 8.037 0.791 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.898 8.603 1.564 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.542 7.241 -0.186 1.00 0.00 N ATOM 0 H GLN A 25 8.558 10.451 2.551 1.00 0.00 H new ATOM 0 HA GLN A 25 8.284 7.819 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.408 9.683 2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.806 8.077 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.122 7.296 0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.296 8.986 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.865 6.792 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.540 7.078 -0.319 1.00 0.00 H new ATOM 319 N PRO A 26 8.980 8.070 5.015 1.00 0.00 N ATOM 320 CA PRO A 26 8.909 7.377 6.305 1.00 0.00 C ATOM 321 C PRO A 26 7.474 7.186 6.782 1.00 0.00 C ATOM 322 O PRO A 26 7.210 6.395 7.687 1.00 0.00 O ATOM 323 CB PRO A 26 9.669 8.309 7.251 1.00 0.00 C ATOM 324 CG PRO A 26 9.550 9.658 6.631 1.00 0.00 C ATOM 325 CD PRO A 26 9.531 9.430 5.144 1.00 0.00 C ATOM 0 HA PRO A 26 9.326 6.371 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.238 8.294 8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.712 8.009 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.640 10.160 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.387 10.295 6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.910 10.165 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.530 9.502 4.714 1.00 0.00 H new ATOM 333 N VAL A 27 6.549 7.917 6.168 1.00 0.00 N ATOM 334 CA VAL A 27 5.139 7.827 6.529 1.00 0.00 C ATOM 335 C VAL A 27 4.469 6.644 5.840 1.00 0.00 C ATOM 336 O VAL A 27 3.470 6.114 6.326 1.00 0.00 O ATOM 337 CB VAL A 27 4.382 9.117 6.161 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.908 8.991 6.514 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.005 10.317 6.859 1.00 0.00 C ATOM 0 H VAL A 27 6.751 8.578 5.418 1.00 0.00 H new ATOM 0 HA VAL A 27 5.098 7.685 7.609 1.00 0.00 H new ATOM 0 HB VAL A 27 4.461 9.269 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.390 9.912 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.472 8.157 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.804 8.814 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.458 11.220 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.958 10.175 7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.046 10.417 6.551 1.00 0.00 H new ATOM 349 N ILE A 28 5.026 6.234 4.706 1.00 0.00 N ATOM 350 CA ILE A 28 4.484 5.112 3.950 1.00 0.00 C ATOM 351 C ILE A 28 5.132 3.799 4.375 1.00 0.00 C ATOM 352 O ILE A 28 4.506 2.740 4.322 1.00 0.00 O ATOM 353 CB ILE A 28 4.683 5.304 2.435 1.00 0.00 C ATOM 354 CG1 ILE A 28 4.013 6.598 1.970 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.128 4.110 1.673 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.409 7.015 0.571 1.00 0.00 C ATOM 0 H ILE A 28 5.853 6.662 4.290 1.00 0.00 H new ATOM 0 HA ILE A 28 3.416 5.074 4.165 1.00 0.00 H new ATOM 0 HB ILE A 28 5.751 5.377 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.931 6.472 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.267 7.399 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.276 4.260 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.647 3.205 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.063 4.009 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.896 7.940 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.487 7.173 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.130 6.232 -0.135 1.00 0.00 H new ATOM 368 N ASP A 29 6.389 3.875 4.796 1.00 0.00 N ATOM 369 CA ASP A 29 7.123 2.693 5.233 1.00 0.00 C ATOM 370 C ASP A 29 6.594 2.189 6.572 1.00 0.00 C ATOM 371 O ASP A 29 6.425 0.986 6.773 1.00 0.00 O ATOM 372 CB ASP A 29 8.616 3.006 5.346 1.00 0.00 C ATOM 373 CG ASP A 29 9.171 3.641 4.086 1.00 0.00 C ATOM 374 OD1 ASP A 29 8.534 3.502 3.022 1.00 0.00 O ATOM 375 OD2 ASP A 29 10.244 4.276 4.165 1.00 0.00 O ATOM 0 H ASP A 29 6.922 4.743 4.844 1.00 0.00 H new ATOM 0 HA ASP A 29 6.979 1.911 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.781 3.676 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.162 2.087 5.557 1.00 0.00 H new ATOM 380 N LYS A 30 6.334 3.117 7.487 1.00 0.00 N ATOM 381 CA LYS A 30 5.823 2.769 8.807 1.00 0.00 C ATOM 382 C LYS A 30 4.551 1.934 8.696 1.00 0.00 C ATOM 383 O LYS A 30 4.331 1.012 9.483 1.00 0.00 O ATOM 384 CB LYS A 30 5.545 4.035 9.620 1.00 0.00 C ATOM 385 CG LYS A 30 5.904 3.906 11.090 1.00 0.00 C ATOM 386 CD LYS A 30 7.401 4.042 11.313 1.00 0.00 C ATOM 387 CE LYS A 30 7.726 4.291 12.778 1.00 0.00 C ATOM 388 NZ LYS A 30 7.718 3.030 13.570 1.00 0.00 N ATOM 0 H LYS A 30 6.469 4.117 7.338 1.00 0.00 H new ATOM 0 HA LYS A 30 6.582 2.176 9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.107 4.864 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.488 4.287 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.379 4.671 11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.566 2.940 11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.904 3.135 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.787 4.863 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.705 4.764 12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.001 4.988 13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.944 3.242 14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.776 2.592 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.428 2.374 13.186 1.00 0.00 H new ATOM 402 N LEU A 31 3.718 2.262 7.715 1.00 0.00 N ATOM 403 CA LEU A 31 2.468 1.541 7.500 1.00 0.00 C ATOM 404 C LEU A 31 2.720 0.213 6.792 1.00 0.00 C ATOM 405 O LEU A 31 2.096 -0.799 7.110 1.00 0.00 O ATOM 406 CB LEU A 31 1.499 2.394 6.679 1.00 0.00 C ATOM 407 CG LEU A 31 0.024 2.001 6.761 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.461 2.045 8.201 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.820 2.914 5.883 1.00 0.00 C ATOM 0 H LEU A 31 3.885 3.022 7.056 1.00 0.00 H new ATOM 0 HA LEU A 31 2.025 1.334 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.597 3.431 7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.807 2.355 5.634 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.081 0.979 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.513 1.762 8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.124 1.350 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.342 3.055 8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.867 2.620 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.709 3.945 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.489 2.831 4.848 1.00 0.00 H new ATOM 421 N ALA A 32 3.640 0.225 5.834 1.00 0.00 N ATOM 422 CA ALA A 32 3.978 -0.979 5.084 1.00 0.00 C ATOM 423 C ALA A 32 4.368 -2.117 6.021 1.00 0.00 C ATOM 424 O ALA A 32 3.952 -3.260 5.831 1.00 0.00 O ATOM 425 CB ALA A 32 5.104 -0.691 4.103 1.00 0.00 C ATOM 0 H ALA A 32 4.165 1.055 5.558 1.00 0.00 H new ATOM 0 HA ALA A 32 3.095 -1.289 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.346 -1.599 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.789 0.086 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.985 -0.353 4.649 1.00 0.00 H new ATOM 431 N GLU A 33 5.170 -1.797 7.032 1.00 0.00 N ATOM 432 CA GLU A 33 5.617 -2.795 7.997 1.00 0.00 C ATOM 433 C GLU A 33 4.459 -3.261 8.874 1.00 0.00 C ATOM 434 O GLU A 33 4.437 -4.401 9.338 1.00 0.00 O ATOM 435 CB GLU A 33 6.736 -2.225 8.871 1.00 0.00 C ATOM 436 CG GLU A 33 7.517 -3.287 9.628 1.00 0.00 C ATOM 437 CD GLU A 33 8.866 -2.787 10.108 1.00 0.00 C ATOM 438 OE1 GLU A 33 8.954 -1.608 10.509 1.00 0.00 O ATOM 439 OE2 GLU A 33 9.833 -3.577 10.082 1.00 0.00 O ATOM 0 H GLU A 33 5.523 -0.856 7.204 1.00 0.00 H new ATOM 0 HA GLU A 33 5.999 -3.653 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.424 -1.659 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.306 -1.523 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.932 -3.622 10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.663 -4.154 8.984 1.00 0.00 H new ATOM 446 N TYR A 34 3.498 -2.371 9.096 1.00 0.00 N ATOM 447 CA TYR A 34 2.337 -2.689 9.920 1.00 0.00 C ATOM 448 C TYR A 34 1.379 -3.614 9.177 1.00 0.00 C ATOM 449 O TYR A 34 1.020 -4.683 9.671 1.00 0.00 O ATOM 450 CB TYR A 34 1.611 -1.407 10.331 1.00 0.00 C ATOM 451 CG TYR A 34 1.055 -1.450 11.737 1.00 0.00 C ATOM 452 CD1 TYR A 34 1.848 -1.116 12.828 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.261 -1.826 11.973 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.345 -1.155 14.114 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.773 -1.866 13.256 1.00 0.00 C ATOM 456 CZ TYR A 34 0.034 -1.530 14.323 1.00 0.00 C ATOM 457 OH TYR A 34 -0.472 -1.570 15.602 1.00 0.00 O ATOM 0 H TYR A 34 3.500 -1.424 8.717 1.00 0.00 H new ATOM 0 HA TYR A 34 2.688 -3.203 10.815 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.300 -0.567 10.247 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.795 -1.221 9.632 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.875 -0.821 12.668 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.895 -2.092 11.140 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.975 -0.893 14.951 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.799 -2.159 13.422 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.410 -1.853 15.574 1.00 0.00 H new ATOM 467 N VAL A 35 0.968 -3.195 7.984 1.00 0.00 N ATOM 468 CA VAL A 35 0.052 -3.985 7.170 1.00 0.00 C ATOM 469 C VAL A 35 0.683 -5.313 6.764 1.00 0.00 C ATOM 470 O VAL A 35 -0.017 -6.294 6.515 1.00 0.00 O ATOM 471 CB VAL A 35 -0.372 -3.222 5.901 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.321 -4.065 5.063 1.00 0.00 C ATOM 473 CG2 VAL A 35 -1.010 -1.891 6.268 1.00 0.00 C ATOM 0 H VAL A 35 1.255 -2.313 7.560 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.830 -4.177 7.782 1.00 0.00 H new ATOM 0 HB VAL A 35 0.518 -3.020 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.610 -3.509 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.824 -4.990 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.211 -4.301 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.303 -1.365 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.891 -2.068 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.294 -1.285 6.823 1.00 0.00 H new ATOM 483 N ALA A 36 2.010 -5.335 6.701 1.00 0.00 N ATOM 484 CA ALA A 36 2.737 -6.543 6.328 1.00 0.00 C ATOM 485 C ALA A 36 2.756 -7.548 7.475 1.00 0.00 C ATOM 486 O ALA A 36 2.787 -8.758 7.252 1.00 0.00 O ATOM 487 CB ALA A 36 4.156 -6.196 5.904 1.00 0.00 C ATOM 0 H ALA A 36 2.604 -4.531 6.903 1.00 0.00 H new ATOM 0 HA ALA A 36 2.220 -7.002 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.687 -7.107 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.125 -5.521 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.674 -5.710 6.731 1.00 0.00 H new ATOM 493 N ARG A 37 2.739 -7.038 8.702 1.00 0.00 N ATOM 494 CA ARG A 37 2.757 -7.892 9.884 1.00 0.00 C ATOM 495 C ARG A 37 1.341 -8.294 10.286 1.00 0.00 C ATOM 496 O ARG A 37 1.053 -9.473 10.484 1.00 0.00 O ATOM 497 CB ARG A 37 3.444 -7.174 11.047 1.00 0.00 C ATOM 498 CG ARG A 37 4.802 -7.755 11.405 1.00 0.00 C ATOM 499 CD ARG A 37 5.797 -7.586 10.268 1.00 0.00 C ATOM 500 NE ARG A 37 7.157 -7.929 10.675 1.00 0.00 N ATOM 501 CZ ARG A 37 7.573 -9.175 10.870 1.00 0.00 C ATOM 502 NH1 ARG A 37 6.740 -10.191 10.695 1.00 0.00 N ATOM 503 NH2 ARG A 37 8.826 -9.408 11.240 1.00 0.00 N ATOM 0 H ARG A 37 2.713 -6.038 8.904 1.00 0.00 H new ATOM 0 HA ARG A 37 3.317 -8.795 9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.565 -6.121 10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.797 -7.218 11.923 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.184 -7.265 12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.695 -8.813 11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.500 -8.216 9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.773 -6.555 9.916 1.00 0.00 H new ATOM 0 HE ARG A 37 7.824 -7.170 10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.776 -10.017 10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.063 -11.147 10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.471 -8.629 11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.144 -10.366 11.389 1.00 0.00 H new ATOM 517 N ASN A 38 0.461 -7.305 10.403 1.00 0.00 N ATOM 518 CA ASN A 38 -0.925 -7.555 10.782 1.00 0.00 C ATOM 519 C ASN A 38 -1.668 -8.292 9.672 1.00 0.00 C ATOM 520 O ASN A 38 -2.227 -9.366 9.891 1.00 0.00 O ATOM 521 CB ASN A 38 -1.635 -6.238 11.099 1.00 0.00 C ATOM 522 CG ASN A 38 -1.466 -5.823 12.548 1.00 0.00 C ATOM 523 OD1 ASN A 38 -2.271 -6.185 13.407 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.415 -5.061 12.826 1.00 0.00 N ATOM 0 H ASN A 38 0.683 -6.323 10.241 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.924 -8.183 11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.244 -5.453 10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.697 -6.338 10.874 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.249 -4.751 13.784 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.226 -4.785 12.082 1.00 0.00 H new ATOM 531 N GLY A 39 -1.668 -7.706 8.478 1.00 0.00 N ATOM 532 CA GLY A 39 -2.345 -8.321 7.351 1.00 0.00 C ATOM 533 C GLY A 39 -2.983 -7.300 6.430 1.00 0.00 C ATOM 534 O GLY A 39 -3.154 -6.138 6.803 1.00 0.00 O ATOM 0 H GLY A 39 -1.212 -6.817 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.631 -8.920 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.112 -9.002 7.720 1.00 0.00 H new ATOM 538 N LEU A 40 -3.334 -7.731 5.224 1.00 0.00 N ATOM 539 CA LEU A 40 -3.955 -6.845 4.246 1.00 0.00 C ATOM 540 C LEU A 40 -5.253 -6.257 4.790 1.00 0.00 C ATOM 541 O LEU A 40 -5.676 -5.175 4.384 1.00 0.00 O ATOM 542 CB LEU A 40 -4.232 -7.603 2.945 1.00 0.00 C ATOM 543 CG LEU A 40 -3.447 -7.137 1.718 1.00 0.00 C ATOM 544 CD1 LEU A 40 -2.976 -8.330 0.901 1.00 0.00 C ATOM 545 CD2 LEU A 40 -4.296 -6.206 0.865 1.00 0.00 C ATOM 0 H LEU A 40 -3.199 -8.689 4.900 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.264 -6.027 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.017 -8.659 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.296 -7.525 2.722 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.570 -6.587 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.419 -7.979 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.332 -8.960 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.839 -8.908 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.722 -5.884 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.192 -6.732 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.584 -5.335 1.453 1.00 0.00 H new ATOM 557 N LYS A 41 -5.881 -6.977 5.714 1.00 0.00 N ATOM 558 CA LYS A 41 -7.129 -6.527 6.318 1.00 0.00 C ATOM 559 C LYS A 41 -6.967 -5.140 6.931 1.00 0.00 C ATOM 560 O LYS A 41 -7.932 -4.383 7.044 1.00 0.00 O ATOM 561 CB LYS A 41 -7.588 -7.519 7.390 1.00 0.00 C ATOM 562 CG LYS A 41 -7.892 -8.904 6.846 1.00 0.00 C ATOM 563 CD LYS A 41 -8.373 -9.840 7.942 1.00 0.00 C ATOM 564 CE LYS A 41 -9.578 -10.652 7.492 1.00 0.00 C ATOM 565 NZ LYS A 41 -9.229 -11.603 6.400 1.00 0.00 N ATOM 0 H LYS A 41 -5.545 -7.876 6.061 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.884 -6.473 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.815 -7.599 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.479 -7.126 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.652 -8.832 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.998 -9.317 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.565 -10.514 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.633 -9.261 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.981 -11.205 8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.363 -9.978 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.076 -12.138 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.868 -11.074 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.498 -12.263 6.735 1.00 0.00 H new ATOM 579 N PHE A 42 -5.741 -4.811 7.325 1.00 0.00 N ATOM 580 CA PHE A 42 -5.453 -3.514 7.925 1.00 0.00 C ATOM 581 C PHE A 42 -5.551 -2.400 6.887 1.00 0.00 C ATOM 582 O PHE A 42 -5.858 -1.255 7.218 1.00 0.00 O ATOM 583 CB PHE A 42 -4.059 -3.518 8.556 1.00 0.00 C ATOM 584 CG PHE A 42 -3.815 -2.359 9.479 1.00 0.00 C ATOM 585 CD1 PHE A 42 -3.486 -1.111 8.975 1.00 0.00 C ATOM 586 CD2 PHE A 42 -3.914 -2.517 10.852 1.00 0.00 C ATOM 587 CE1 PHE A 42 -3.261 -0.043 9.823 1.00 0.00 C ATOM 588 CE2 PHE A 42 -3.690 -1.453 11.705 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.364 -0.214 11.189 1.00 0.00 C ATOM 0 H PHE A 42 -4.931 -5.425 7.239 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.195 -3.329 8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.922 -4.447 9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.310 -3.505 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.404 -0.971 7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.169 -3.484 11.261 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.005 0.925 9.417 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.770 -1.590 12.773 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.190 0.620 11.853 1.00 0.00 H new ATOM 599 N GLU A 43 -5.286 -2.745 5.631 1.00 0.00 N ATOM 600 CA GLU A 43 -5.343 -1.774 4.545 1.00 0.00 C ATOM 601 C GLU A 43 -6.766 -1.261 4.347 1.00 0.00 C ATOM 602 O GLU A 43 -6.977 -0.111 3.960 1.00 0.00 O ATOM 603 CB GLU A 43 -4.830 -2.398 3.245 1.00 0.00 C ATOM 604 CG GLU A 43 -4.771 -1.422 2.082 1.00 0.00 C ATOM 605 CD GLU A 43 -5.010 -2.094 0.744 1.00 0.00 C ATOM 606 OE1 GLU A 43 -4.060 -2.704 0.210 1.00 0.00 O ATOM 607 OE2 GLU A 43 -6.145 -2.010 0.232 1.00 0.00 O ATOM 0 H GLU A 43 -5.030 -3.689 5.341 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.705 -0.932 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.834 -2.806 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.475 -3.234 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.516 -0.641 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.796 -0.935 2.071 1.00 0.00 H new ATOM 614 N THR A 44 -7.743 -2.122 4.616 1.00 0.00 N ATOM 615 CA THR A 44 -9.146 -1.758 4.466 1.00 0.00 C ATOM 616 C THR A 44 -9.616 -0.894 5.630 1.00 0.00 C ATOM 617 O THR A 44 -10.454 -0.009 5.460 1.00 0.00 O ATOM 618 CB THR A 44 -10.043 -3.007 4.373 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.428 -3.991 3.535 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.414 -2.648 3.819 1.00 0.00 C ATOM 0 H THR A 44 -7.588 -3.077 4.939 1.00 0.00 H new ATOM 0 HA THR A 44 -9.229 -1.191 3.539 1.00 0.00 H new ATOM 0 HB THR A 44 -10.168 -3.413 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.004 -4.782 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.030 -3.545 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.892 -1.920 4.475 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.303 -2.221 2.822 1.00 0.00 H new ATOM 628 N SER A 45 -9.072 -1.156 6.814 1.00 0.00 N ATOM 629 CA SER A 45 -9.439 -0.403 8.008 1.00 0.00 C ATOM 630 C SER A 45 -8.918 1.028 7.929 1.00 0.00 C ATOM 631 O SER A 45 -9.647 1.983 8.198 1.00 0.00 O ATOM 632 CB SER A 45 -8.888 -1.090 9.259 1.00 0.00 C ATOM 633 OG SER A 45 -7.472 -1.035 9.290 1.00 0.00 O ATOM 0 H SER A 45 -8.375 -1.884 6.972 1.00 0.00 H new ATOM 0 HA SER A 45 -10.527 -0.372 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.293 -0.610 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.215 -2.130 9.281 1.00 0.00 H new ATOM 0 HG SER A 45 -7.116 -1.287 8.413 1.00 0.00 H new ATOM 639 N VAL A 46 -7.649 1.170 7.558 1.00 0.00 N ATOM 640 CA VAL A 46 -7.029 2.484 7.442 1.00 0.00 C ATOM 641 C VAL A 46 -7.707 3.319 6.362 1.00 0.00 C ATOM 642 O VAL A 46 -7.810 4.540 6.479 1.00 0.00 O ATOM 643 CB VAL A 46 -5.527 2.370 7.119 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.319 1.669 5.785 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.877 3.745 7.115 1.00 0.00 C ATOM 0 H VAL A 46 -7.031 0.391 7.333 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.150 2.976 8.407 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.051 1.771 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.252 1.598 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.748 0.668 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.808 2.238 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.816 3.645 6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.354 4.371 6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.994 4.206 8.096 1.00 0.00 H new ATOM 655 N ARG A 47 -8.170 2.652 5.310 1.00 0.00 N ATOM 656 CA ARG A 47 -8.839 3.332 4.207 1.00 0.00 C ATOM 657 C ARG A 47 -10.167 3.929 4.663 1.00 0.00 C ATOM 658 O ARG A 47 -10.551 5.016 4.230 1.00 0.00 O ATOM 659 CB ARG A 47 -9.075 2.361 3.049 1.00 0.00 C ATOM 660 CG ARG A 47 -9.198 3.045 1.697 1.00 0.00 C ATOM 661 CD ARG A 47 -9.166 2.037 0.558 1.00 0.00 C ATOM 662 NE ARG A 47 -10.442 1.344 0.404 1.00 0.00 N ATOM 663 CZ ARG A 47 -11.538 1.921 -0.076 1.00 0.00 C ATOM 664 NH1 ARG A 47 -11.514 3.193 -0.446 1.00 0.00 N ATOM 665 NH2 ARG A 47 -12.662 1.224 -0.186 1.00 0.00 N ATOM 0 H ARG A 47 -8.094 1.641 5.198 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.193 4.142 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.253 1.646 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.984 1.792 3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.129 3.611 1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.385 3.760 1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.917 2.549 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.377 1.307 0.742 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.495 0.363 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.652 3.732 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.357 3.633 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.685 0.245 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.503 1.668 -0.555 1.00 0.00 H new ATOM 679 N ALA A 48 -10.864 3.211 5.537 1.00 0.00 N ATOM 680 CA ALA A 48 -12.148 3.671 6.052 1.00 0.00 C ATOM 681 C ALA A 48 -12.020 5.047 6.696 1.00 0.00 C ATOM 682 O ALA A 48 -12.974 5.826 6.715 1.00 0.00 O ATOM 683 CB ALA A 48 -12.705 2.668 7.051 1.00 0.00 C ATOM 0 H ALA A 48 -10.561 2.308 5.903 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.839 3.755 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.664 3.024 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.843 1.704 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.008 2.556 7.881 1.00 0.00 H new ATOM 689 N LYS A 49 -10.837 5.341 7.223 1.00 0.00 N ATOM 690 CA LYS A 49 -10.583 6.624 7.868 1.00 0.00 C ATOM 691 C LYS A 49 -10.595 7.758 6.848 1.00 0.00 C ATOM 692 O LYS A 49 -11.066 8.857 7.134 1.00 0.00 O ATOM 693 CB LYS A 49 -9.238 6.594 8.598 1.00 0.00 C ATOM 694 CG LYS A 49 -9.051 5.371 9.479 1.00 0.00 C ATOM 695 CD LYS A 49 -8.089 5.649 10.622 1.00 0.00 C ATOM 696 CE LYS A 49 -8.437 4.830 11.855 1.00 0.00 C ATOM 697 NZ LYS A 49 -8.513 5.675 13.079 1.00 0.00 N ATOM 0 H LYS A 49 -10.038 4.707 7.216 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.378 6.802 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.434 6.628 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.147 7.490 9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.015 5.060 9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.674 4.543 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.071 5.419 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.114 6.710 10.870 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.392 4.328 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.688 4.051 11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.752 5.080 13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.594 6.134 13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.246 6.402 12.954 1.00 0.00 H new ATOM 711 N ASN A 50 -10.075 7.481 5.657 1.00 0.00 N ATOM 712 CA ASN A 50 -10.027 8.478 4.593 1.00 0.00 C ATOM 713 C ASN A 50 -9.384 9.770 5.088 1.00 0.00 C ATOM 714 O ASN A 50 -9.709 10.859 4.614 1.00 0.00 O ATOM 715 CB ASN A 50 -11.436 8.764 4.070 1.00 0.00 C ATOM 716 CG ASN A 50 -11.440 9.154 2.605 1.00 0.00 C ATOM 717 OD1 ASN A 50 -10.426 9.038 1.917 1.00 0.00 O ATOM 718 ND2 ASN A 50 -12.586 9.619 2.120 1.00 0.00 N ATOM 0 H ASN A 50 -9.681 6.575 5.404 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.420 8.078 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.059 7.880 4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.883 9.566 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.650 9.897 1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.402 9.698 2.727 1.00 0.00 H new ATOM 725 N ASP A 51 -8.470 9.641 6.043 1.00 0.00 N ATOM 726 CA ASP A 51 -7.779 10.798 6.601 1.00 0.00 C ATOM 727 C ASP A 51 -6.878 11.450 5.557 1.00 0.00 C ATOM 728 O ASP A 51 -6.259 10.764 4.744 1.00 0.00 O ATOM 729 CB ASP A 51 -6.952 10.386 7.820 1.00 0.00 C ATOM 730 CG ASP A 51 -7.712 10.557 9.121 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.953 10.412 9.107 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.067 10.836 10.152 1.00 0.00 O ATOM 0 H ASP A 51 -8.190 8.747 6.447 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.531 11.524 6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.649 9.344 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.040 10.982 7.855 1.00 0.00 H new ATOM 737 N GLN A 52 -6.812 12.777 5.585 1.00 0.00 N ATOM 738 CA GLN A 52 -5.988 13.520 4.639 1.00 0.00 C ATOM 739 C GLN A 52 -4.532 13.073 4.716 1.00 0.00 C ATOM 740 O GLN A 52 -3.784 13.190 3.745 1.00 0.00 O ATOM 741 CB GLN A 52 -6.088 15.022 4.913 1.00 0.00 C ATOM 742 CG GLN A 52 -7.517 15.526 5.024 1.00 0.00 C ATOM 743 CD GLN A 52 -7.624 17.025 4.826 1.00 0.00 C ATOM 744 OE1 GLN A 52 -7.200 17.559 3.800 1.00 0.00 O ATOM 745 NE2 GLN A 52 -8.193 17.714 5.808 1.00 0.00 N ATOM 0 H GLN A 52 -7.319 13.359 6.252 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.359 13.315 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.558 15.250 5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.582 15.563 4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.135 15.020 4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.916 15.263 6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.530 17.231 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.293 18.726 5.730 1.00 0.00 H new ATOM 754 N ARG A 53 -4.136 12.559 5.876 1.00 0.00 N ATOM 755 CA ARG A 53 -2.769 12.096 6.080 1.00 0.00 C ATOM 756 C ARG A 53 -2.551 10.738 5.418 1.00 0.00 C ATOM 757 O ARG A 53 -1.435 10.399 5.026 1.00 0.00 O ATOM 758 CB ARG A 53 -2.457 12.002 7.575 1.00 0.00 C ATOM 759 CG ARG A 53 -1.512 13.086 8.068 1.00 0.00 C ATOM 760 CD ARG A 53 -0.590 12.565 9.159 1.00 0.00 C ATOM 761 NE ARG A 53 -0.419 13.533 10.240 1.00 0.00 N ATOM 762 CZ ARG A 53 0.514 13.429 11.179 1.00 0.00 C ATOM 763 NH1 ARG A 53 1.357 12.406 11.171 1.00 0.00 N ATOM 764 NH2 ARG A 53 0.606 14.351 12.129 1.00 0.00 N ATOM 0 H ARG A 53 -4.743 12.453 6.689 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.095 12.818 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.389 12.061 8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.019 11.026 7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.917 13.459 7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.089 13.928 8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.995 11.638 9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.383 12.327 8.728 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.051 14.333 10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.290 11.696 10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.073 12.329 11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.040 15.140 12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.323 14.271 12.850 1.00 0.00 H new ATOM 778 N PHE A 54 -3.625 9.965 5.298 1.00 0.00 N ATOM 779 CA PHE A 54 -3.551 8.644 4.685 1.00 0.00 C ATOM 780 C PHE A 54 -4.211 8.645 3.310 1.00 0.00 C ATOM 781 O PHE A 54 -5.006 7.761 2.991 1.00 0.00 O ATOM 782 CB PHE A 54 -4.222 7.603 5.585 1.00 0.00 C ATOM 783 CG PHE A 54 -3.557 7.449 6.922 1.00 0.00 C ATOM 784 CD1 PHE A 54 -3.927 8.250 7.991 1.00 0.00 C ATOM 785 CD2 PHE A 54 -2.562 6.503 7.111 1.00 0.00 C ATOM 786 CE1 PHE A 54 -3.317 8.110 9.224 1.00 0.00 C ATOM 787 CE2 PHE A 54 -1.949 6.359 8.342 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.327 7.164 9.399 1.00 0.00 C ATOM 0 H PHE A 54 -4.557 10.230 5.617 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.499 8.385 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.264 7.883 5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.222 6.640 5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.701 8.992 7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.262 5.871 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.615 8.740 10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.175 5.618 8.477 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.849 7.053 10.361 1.00 0.00 H new ATOM 798 N GLU A 55 -3.875 9.643 2.499 1.00 0.00 N ATOM 799 CA GLU A 55 -4.436 9.760 1.158 1.00 0.00 C ATOM 800 C GLU A 55 -3.634 8.932 0.159 1.00 0.00 C ATOM 801 O GLU A 55 -4.179 8.417 -0.817 1.00 0.00 O ATOM 802 CB GLU A 55 -4.463 11.225 0.718 1.00 0.00 C ATOM 803 CG GLU A 55 -5.863 11.765 0.484 1.00 0.00 C ATOM 804 CD GLU A 55 -5.891 13.275 0.346 1.00 0.00 C ATOM 805 OE1 GLU A 55 -5.161 13.952 1.100 1.00 0.00 O ATOM 806 OE2 GLU A 55 -6.643 13.779 -0.513 1.00 0.00 O ATOM 0 H GLU A 55 -3.217 10.382 2.747 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.456 9.378 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.971 11.833 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.884 11.331 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.276 11.314 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.506 11.468 1.312 1.00 0.00 H new ATOM 813 N PHE A 56 -2.334 8.809 0.410 1.00 0.00 N ATOM 814 CA PHE A 56 -1.455 8.045 -0.468 1.00 0.00 C ATOM 815 C PHE A 56 -1.960 6.615 -0.633 1.00 0.00 C ATOM 816 O PHE A 56 -1.689 5.961 -1.641 1.00 0.00 O ATOM 817 CB PHE A 56 -0.030 8.034 0.088 1.00 0.00 C ATOM 818 CG PHE A 56 0.060 7.526 1.498 1.00 0.00 C ATOM 819 CD1 PHE A 56 0.145 6.168 1.756 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.058 8.409 2.567 1.00 0.00 C ATOM 821 CE1 PHE A 56 0.228 5.698 3.053 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.141 7.945 3.866 1.00 0.00 C ATOM 823 CZ PHE A 56 0.225 6.588 4.110 1.00 0.00 C ATOM 0 H PHE A 56 -1.867 9.228 1.214 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.453 8.525 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.597 7.414 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.375 9.045 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.146 5.468 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.009 9.471 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.295 4.636 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.140 8.643 4.690 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.288 6.223 5.125 1.00 0.00 H new ATOM 833 N LEU A 57 -2.697 6.136 0.363 1.00 0.00 N ATOM 834 CA LEU A 57 -3.240 4.782 0.330 1.00 0.00 C ATOM 835 C LEU A 57 -4.327 4.658 -0.733 1.00 0.00 C ATOM 836 O LEU A 57 -4.574 3.572 -1.257 1.00 0.00 O ATOM 837 CB LEU A 57 -3.806 4.405 1.701 1.00 0.00 C ATOM 838 CG LEU A 57 -2.821 3.767 2.681 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.243 4.042 4.116 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.714 2.270 2.432 1.00 0.00 C ATOM 0 H LEU A 57 -2.932 6.664 1.203 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.430 4.098 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.216 5.304 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.637 3.716 1.552 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.839 4.212 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.530 3.580 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.267 5.118 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.235 3.625 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.009 1.833 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.693 1.808 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.364 2.094 1.415 1.00 0.00 H new ATOM 852 N GLN A 58 -4.971 5.777 -1.047 1.00 0.00 N ATOM 853 CA GLN A 58 -6.031 5.793 -2.048 1.00 0.00 C ATOM 854 C GLN A 58 -5.526 5.254 -3.383 1.00 0.00 C ATOM 855 O GLN A 58 -4.335 5.308 -3.691 1.00 0.00 O ATOM 856 CB GLN A 58 -6.570 7.213 -2.229 1.00 0.00 C ATOM 857 CG GLN A 58 -7.297 7.748 -1.006 1.00 0.00 C ATOM 858 CD GLN A 58 -8.377 6.807 -0.511 1.00 0.00 C ATOM 859 OE1 GLN A 58 -8.100 5.852 0.216 1.00 0.00 O ATOM 860 NE2 GLN A 58 -9.618 7.071 -0.903 1.00 0.00 N ATOM 0 H GLN A 58 -4.777 6.684 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.837 5.149 -1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.742 7.879 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.249 7.229 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.577 7.921 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.743 8.713 -1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.803 7.873 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.386 6.472 -0.601 1.00 0.00 H new ATOM 869 N PRO A 59 -6.451 4.722 -4.195 1.00 0.00 N ATOM 870 CA PRO A 59 -6.123 4.164 -5.510 1.00 0.00 C ATOM 871 C PRO A 59 -5.720 5.240 -6.513 1.00 0.00 C ATOM 872 O PRO A 59 -4.705 5.114 -7.198 1.00 0.00 O ATOM 873 CB PRO A 59 -7.427 3.489 -5.945 1.00 0.00 C ATOM 874 CG PRO A 59 -8.495 4.221 -5.208 1.00 0.00 C ATOM 875 CD PRO A 59 -7.889 4.625 -3.893 1.00 0.00 C ATOM 0 HA PRO A 59 -5.271 3.486 -5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.570 3.560 -7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.427 2.429 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.828 5.094 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.369 3.587 -5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.290 5.575 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.087 3.887 -3.116 1.00 0.00 H new ATOM 883 N TRP A 60 -6.521 6.296 -6.594 1.00 0.00 N ATOM 884 CA TRP A 60 -6.247 7.394 -7.513 1.00 0.00 C ATOM 885 C TRP A 60 -4.873 7.999 -7.245 1.00 0.00 C ATOM 886 O TRP A 60 -4.178 8.420 -8.170 1.00 0.00 O ATOM 887 CB TRP A 60 -7.325 8.472 -7.389 1.00 0.00 C ATOM 888 CG TRP A 60 -7.441 9.039 -6.006 1.00 0.00 C ATOM 889 CD1 TRP A 60 -8.273 8.610 -5.012 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.703 10.142 -5.468 1.00 0.00 C ATOM 891 NE1 TRP A 60 -8.096 9.379 -3.887 1.00 0.00 N ATOM 892 CE2 TRP A 60 -7.138 10.325 -4.140 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.716 10.990 -5.976 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.619 11.322 -3.319 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -5.203 11.979 -5.160 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.654 12.139 -3.843 1.00 0.00 C ATOM 0 H TRP A 60 -7.365 6.415 -6.034 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.256 6.996 -8.528 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -7.104 9.279 -8.088 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.286 8.050 -7.683 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.968 7.788 -5.097 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.597 9.264 -3.006 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.360 10.874 -6.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.966 11.447 -2.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.441 12.641 -5.544 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.232 12.922 -3.230 1.00 0.00 H new ATOM 907 N HIS A 61 -4.487 8.039 -5.973 1.00 0.00 N ATOM 908 CA HIS A 61 -3.195 8.592 -5.584 1.00 0.00 C ATOM 909 C HIS A 61 -2.056 7.861 -6.289 1.00 0.00 C ATOM 910 O HIS A 61 -2.185 6.690 -6.645 1.00 0.00 O ATOM 911 CB HIS A 61 -3.013 8.500 -4.068 1.00 0.00 C ATOM 912 CG HIS A 61 -2.528 9.773 -3.445 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.279 10.303 -3.691 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.133 10.624 -2.583 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.136 11.424 -3.006 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.247 11.641 -2.326 1.00 0.00 N ATOM 0 H HIS A 61 -5.050 7.695 -5.195 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.171 9.640 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.963 8.221 -3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.305 7.702 -3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.127 10.522 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.260 12.055 -3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.419 12.435 -1.710 1.00 0.00 H new ATOM 924 N GLN A 62 -0.944 8.561 -6.489 1.00 0.00 N ATOM 925 CA GLN A 62 0.216 7.978 -7.154 1.00 0.00 C ATOM 926 C GLN A 62 1.137 7.300 -6.145 1.00 0.00 C ATOM 927 O GLN A 62 1.727 6.258 -6.432 1.00 0.00 O ATOM 928 CB GLN A 62 0.985 9.056 -7.921 1.00 0.00 C ATOM 929 CG GLN A 62 1.515 10.172 -7.035 1.00 0.00 C ATOM 930 CD GLN A 62 2.201 11.268 -7.826 1.00 0.00 C ATOM 931 OE1 GLN A 62 1.592 11.903 -8.687 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.477 11.495 -7.538 1.00 0.00 N ATOM 0 H GLN A 62 -0.822 9.532 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.139 7.225 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.820 8.591 -8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.332 9.486 -8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.691 10.601 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.218 9.755 -6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.943 10.945 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.992 12.220 -8.038 1.00 0.00 H new ATOM 941 N TYR A 63 1.255 7.897 -4.965 1.00 0.00 N ATOM 942 CA TYR A 63 2.107 7.351 -3.915 1.00 0.00 C ATOM 943 C TYR A 63 1.723 5.910 -3.595 1.00 0.00 C ATOM 944 O TYR A 63 2.549 5.124 -3.132 1.00 0.00 O ATOM 945 CB TYR A 63 2.008 8.209 -2.652 1.00 0.00 C ATOM 946 CG TYR A 63 2.603 9.590 -2.810 1.00 0.00 C ATOM 947 CD1 TYR A 63 3.814 9.776 -3.463 1.00 0.00 C ATOM 948 CD2 TYR A 63 1.951 10.710 -2.306 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.361 11.036 -3.609 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.490 11.974 -2.449 1.00 0.00 C ATOM 951 CZ TYR A 63 3.695 12.132 -3.100 1.00 0.00 C ATOM 952 OH TYR A 63 4.236 13.389 -3.245 1.00 0.00 O ATOM 0 H TYR A 63 0.772 8.759 -4.711 1.00 0.00 H new ATOM 0 HA TYR A 63 3.136 7.362 -4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.960 8.304 -2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.514 7.696 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.338 8.921 -3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.008 10.590 -1.794 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.305 11.163 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.970 12.834 -2.053 1.00 0.00 H new ATOM 0 HH TYR A 63 3.642 14.050 -2.832 1.00 0.00 H new ATOM 962 N ASN A 64 0.463 5.570 -3.848 1.00 0.00 N ATOM 963 CA ASN A 64 -0.032 4.223 -3.588 1.00 0.00 C ATOM 964 C ASN A 64 0.866 3.178 -4.242 1.00 0.00 C ATOM 965 O ASN A 64 1.010 2.065 -3.737 1.00 0.00 O ATOM 966 CB ASN A 64 -1.465 4.076 -4.103 1.00 0.00 C ATOM 967 CG ASN A 64 -2.058 2.718 -3.782 1.00 0.00 C ATOM 968 OD1 ASN A 64 -2.250 1.886 -4.669 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.353 2.488 -2.508 1.00 0.00 N ATOM 0 H ASN A 64 -0.233 6.208 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.022 4.060 -2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.088 4.855 -3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.478 4.229 -5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.756 1.593 -2.231 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.177 3.207 -1.806 1.00 0.00 H new ATOM 976 N ALA A 65 1.467 3.544 -5.369 1.00 0.00 N ATOM 977 CA ALA A 65 2.353 2.640 -6.092 1.00 0.00 C ATOM 978 C ALA A 65 3.579 2.288 -5.256 1.00 0.00 C ATOM 979 O ALA A 65 3.989 1.129 -5.195 1.00 0.00 O ATOM 980 CB ALA A 65 2.774 3.259 -7.416 1.00 0.00 C ATOM 0 H ALA A 65 1.356 4.461 -5.802 1.00 0.00 H new ATOM 0 HA ALA A 65 1.806 1.719 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.435 2.573 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.891 3.453 -8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.298 4.196 -7.229 1.00 0.00 H new ATOM 986 N TYR A 66 4.160 3.296 -4.614 1.00 0.00 N ATOM 987 CA TYR A 66 5.342 3.093 -3.784 1.00 0.00 C ATOM 988 C TYR A 66 5.015 2.224 -2.573 1.00 0.00 C ATOM 989 O TYR A 66 5.858 1.469 -2.091 1.00 0.00 O ATOM 990 CB TYR A 66 5.904 4.439 -3.324 1.00 0.00 C ATOM 991 CG TYR A 66 7.111 4.314 -2.421 1.00 0.00 C ATOM 992 CD1 TYR A 66 6.963 4.165 -1.047 1.00 0.00 C ATOM 993 CD2 TYR A 66 8.399 4.343 -2.942 1.00 0.00 C ATOM 994 CE1 TYR A 66 8.063 4.052 -0.219 1.00 0.00 C ATOM 995 CE2 TYR A 66 9.504 4.228 -2.121 1.00 0.00 C ATOM 996 CZ TYR A 66 9.331 4.084 -0.761 1.00 0.00 C ATOM 997 OH TYR A 66 10.429 3.969 0.061 1.00 0.00 O ATOM 0 H TYR A 66 3.832 4.261 -4.652 1.00 0.00 H new ATOM 0 HA TYR A 66 6.093 2.579 -4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.175 5.028 -4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.123 4.989 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.972 4.137 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.538 4.457 -4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.931 3.939 0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.498 4.251 -2.542 1.00 0.00 H new ATOM 0 HH TYR A 66 11.247 4.009 -0.478 1.00 0.00 H new ATOM 1007 N TYR A 67 3.784 2.338 -2.088 1.00 0.00 N ATOM 1008 CA TYR A 67 3.343 1.565 -0.932 1.00 0.00 C ATOM 1009 C TYR A 67 3.333 0.072 -1.247 1.00 0.00 C ATOM 1010 O TYR A 67 3.717 -0.750 -0.416 1.00 0.00 O ATOM 1011 CB TYR A 67 1.949 2.015 -0.493 1.00 0.00 C ATOM 1012 CG TYR A 67 1.337 1.135 0.573 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.923 1.020 1.828 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.172 0.419 0.326 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.367 0.216 2.805 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.392 -0.386 1.298 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.210 -0.485 2.535 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.347 -1.285 3.506 1.00 0.00 O ATOM 0 H TYR A 67 3.073 2.958 -2.477 1.00 0.00 H new ATOM 0 HA TYR A 67 4.047 1.741 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.007 3.037 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.291 2.030 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.828 1.568 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.301 0.493 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.836 0.137 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.299 -0.934 1.090 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.266 -1.515 3.253 1.00 0.00 H new ATOM 1028 N GLU A 68 2.890 -0.268 -2.453 1.00 0.00 N ATOM 1029 CA GLU A 68 2.830 -1.662 -2.879 1.00 0.00 C ATOM 1030 C GLU A 68 4.213 -2.304 -2.837 1.00 0.00 C ATOM 1031 O GLU A 68 4.344 -3.511 -2.632 1.00 0.00 O ATOM 1032 CB GLU A 68 2.251 -1.762 -4.291 1.00 0.00 C ATOM 1033 CG GLU A 68 0.744 -1.959 -4.319 1.00 0.00 C ATOM 1034 CD GLU A 68 0.190 -2.023 -5.729 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.042 -0.953 -6.356 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -0.095 -3.141 -6.206 1.00 0.00 O ATOM 0 H GLU A 68 2.568 0.401 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 68 2.179 -2.199 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.501 -0.855 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.727 -2.593 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.492 -2.879 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.264 -1.141 -3.781 1.00 0.00 H new ATOM 1043 N PHE A 69 5.244 -1.489 -3.034 1.00 0.00 N ATOM 1044 CA PHE A 69 6.618 -1.976 -3.021 1.00 0.00 C ATOM 1045 C PHE A 69 7.069 -2.295 -1.598 1.00 0.00 C ATOM 1046 O PHE A 69 7.597 -3.374 -1.329 1.00 0.00 O ATOM 1047 CB PHE A 69 7.555 -0.940 -3.645 1.00 0.00 C ATOM 1048 CG PHE A 69 8.939 -1.464 -3.906 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.185 -2.306 -4.978 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.993 -1.113 -3.078 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.457 -2.789 -5.220 1.00 0.00 C ATOM 1052 CE2 PHE A 69 11.268 -1.593 -3.315 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.500 -2.433 -4.387 1.00 0.00 C ATOM 0 H PHE A 69 5.154 -0.487 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 69 6.658 -2.892 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.124 -0.591 -4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.621 -0.076 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.373 -2.588 -5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.817 -0.457 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.636 -3.444 -6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.082 -1.312 -2.663 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.495 -2.811 -4.573 1.00 0.00 H new ATOM 1063 N LYS A 70 6.856 -1.348 -0.691 1.00 0.00 N ATOM 1064 CA LYS A 70 7.239 -1.525 0.705 1.00 0.00 C ATOM 1065 C LYS A 70 6.509 -2.713 1.322 1.00 0.00 C ATOM 1066 O LYS A 70 7.098 -3.501 2.063 1.00 0.00 O ATOM 1067 CB LYS A 70 6.936 -0.255 1.503 1.00 0.00 C ATOM 1068 CG LYS A 70 7.664 0.975 0.989 1.00 0.00 C ATOM 1069 CD LYS A 70 9.171 0.777 1.002 1.00 0.00 C ATOM 1070 CE LYS A 70 9.688 0.528 2.410 1.00 0.00 C ATOM 1071 NZ LYS A 70 10.944 1.280 2.681 1.00 0.00 N ATOM 0 H LYS A 70 6.420 -0.449 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 70 8.311 -1.721 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.862 -0.068 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.207 -0.418 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.334 1.197 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.404 1.836 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.434 -0.066 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.658 1.658 0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.927 0.820 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.866 -0.538 2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.181 1.207 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.718 0.879 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.811 2.280 2.428 1.00 0.00 H new ATOM 1085 N LYS A 71 5.223 -2.838 1.012 1.00 0.00 N ATOM 1086 CA LYS A 71 4.412 -3.931 1.534 1.00 0.00 C ATOM 1087 C LYS A 71 5.006 -5.282 1.148 1.00 0.00 C ATOM 1088 O LYS A 71 5.307 -6.106 2.010 1.00 0.00 O ATOM 1089 CB LYS A 71 2.977 -3.825 1.010 1.00 0.00 C ATOM 1090 CG LYS A 71 1.976 -4.639 1.810 1.00 0.00 C ATOM 1091 CD LYS A 71 0.581 -4.043 1.729 1.00 0.00 C ATOM 1092 CE LYS A 71 -0.029 -4.237 0.349 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.088 -5.284 0.353 1.00 0.00 N ATOM 0 H LYS A 71 4.720 -2.195 0.401 1.00 0.00 H new ATOM 0 HA LYS A 71 4.402 -3.855 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.672 -2.779 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.953 -4.155 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.957 -5.663 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.293 -4.685 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.059 -4.508 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.625 -2.979 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.452 -3.294 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.753 -4.514 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.335 -5.531 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.738 -6.130 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.932 -4.923 0.842 1.00 0.00 H new ATOM 1107 N GLN A 72 5.173 -5.500 -0.153 1.00 0.00 N ATOM 1108 CA GLN A 72 5.732 -6.750 -0.652 1.00 0.00 C ATOM 1109 C GLN A 72 7.068 -7.055 0.019 1.00 0.00 C ATOM 1110 O GLN A 72 7.376 -8.210 0.317 1.00 0.00 O ATOM 1111 CB GLN A 72 5.914 -6.683 -2.169 1.00 0.00 C ATOM 1112 CG GLN A 72 6.524 -7.941 -2.765 1.00 0.00 C ATOM 1113 CD GLN A 72 8.031 -7.850 -2.902 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.592 -6.759 -3.013 1.00 0.00 O ATOM 1115 NE2 GLN A 72 8.697 -8.999 -2.894 1.00 0.00 N ATOM 0 H GLN A 72 4.929 -4.827 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 72 5.034 -7.552 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.945 -6.503 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.548 -5.831 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.271 -8.795 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.084 -8.124 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.192 -9.880 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 72 9.713 -9.000 -2.982 1.00 0.00 H new ATOM 1124 N PHE A 73 7.858 -6.013 0.254 1.00 0.00 N ATOM 1125 CA PHE A 73 9.161 -6.169 0.889 1.00 0.00 C ATOM 1126 C PHE A 73 9.015 -6.727 2.302 1.00 0.00 C ATOM 1127 O PHE A 73 9.458 -7.839 2.591 1.00 0.00 O ATOM 1128 CB PHE A 73 9.896 -4.828 0.932 1.00 0.00 C ATOM 1129 CG PHE A 73 11.311 -4.935 1.423 1.00 0.00 C ATOM 1130 CD1 PHE A 73 11.587 -4.965 2.780 1.00 0.00 C ATOM 1131 CD2 PHE A 73 12.366 -5.005 0.527 1.00 0.00 C ATOM 1132 CE1 PHE A 73 12.889 -5.063 3.234 1.00 0.00 C ATOM 1133 CE2 PHE A 73 13.670 -5.103 0.975 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.931 -5.133 2.331 1.00 0.00 C ATOM 0 H PHE A 73 7.618 -5.051 0.014 1.00 0.00 H new ATOM 0 HA PHE A 73 9.743 -6.875 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.899 -4.392 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.347 -4.142 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.776 -4.911 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.167 -4.983 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.091 -5.085 4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.483 -5.156 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.949 -5.211 2.684 1.00 0.00 H new ATOM 1144 N PHE A 74 8.391 -5.947 3.178 1.00 0.00 N ATOM 1145 CA PHE A 74 8.187 -6.361 4.561 1.00 0.00 C ATOM 1146 C PHE A 74 7.478 -7.710 4.626 1.00 0.00 C ATOM 1147 O PHE A 74 7.676 -8.485 5.563 1.00 0.00 O ATOM 1148 CB PHE A 74 7.373 -5.308 5.316 1.00 0.00 C ATOM 1149 CG PHE A 74 8.151 -4.062 5.632 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.256 -4.112 6.466 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.777 -2.841 5.094 1.00 0.00 C ATOM 1152 CE1 PHE A 74 9.974 -2.968 6.758 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.491 -1.694 5.382 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.591 -1.757 6.216 1.00 0.00 C ATOM 0 H PHE A 74 8.018 -5.024 2.955 1.00 0.00 H new ATOM 0 HA PHE A 74 9.165 -6.461 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.500 -5.040 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.005 -5.742 6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.560 -5.056 6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.918 -2.785 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.834 -3.021 7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.190 -0.749 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.150 -0.861 6.443 1.00 0.00 H new ATOM 1164 N LEU A 75 6.649 -7.985 3.624 1.00 0.00 N ATOM 1165 CA LEU A 75 5.909 -9.241 3.566 1.00 0.00 C ATOM 1166 C LEU A 75 6.849 -10.416 3.319 1.00 0.00 C ATOM 1167 O LEU A 75 6.778 -11.435 4.006 1.00 0.00 O ATOM 1168 CB LEU A 75 4.849 -9.180 2.465 1.00 0.00 C ATOM 1169 CG LEU A 75 3.527 -8.511 2.842 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.752 -8.120 1.594 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.695 -9.432 3.722 1.00 0.00 C ATOM 0 H LEU A 75 6.473 -7.355 2.841 1.00 0.00 H new ATOM 0 HA LEU A 75 5.417 -9.390 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.271 -8.650 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.637 -10.197 2.136 1.00 0.00 H new ATOM 0 HG LEU A 75 3.748 -7.605 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.814 -7.645 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.344 -7.423 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.541 -9.011 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.758 -8.939 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.483 -10.356 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.248 -9.662 4.633 1.00 0.00 H new