USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 874 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 411 MET CE :methyl -173:sc= -7.08! (180deg=-7.48!) USER MOD Set 1.2: A 450 MET CE :methyl 147:sc= -3.75 (180deg=-6.06!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -4.7 K(o=-9.4,f=-6.3) USER MOD Set 2.2: A 423 SER OG : rot 141:sc= -2.63! USER MOD Set 2.3: A 439 SER OG : rot -50:sc= -1.94 USER MOD Set 2.4: A 444 ASN : amide:sc= -0.175 K(o=-9.4,f=-7.4!) USER MOD Set 3.1: A 370 SER OG : rot 50:sc= 0.441 USER MOD Set 3.2: A 377 THR OG1 : rot -133:sc= 0.498 USER MOD Set 4.1: A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 374 THR OG1 : rot 180:sc= -0.086 USER MOD Set 4.3: A 375 THR OG1 : rot 67:sc= -0.077 USER MOD Set 4.4: A 440 HIS : no HD1:sc= -0.65 X(o=-0.81,f=-1.2) USER MOD Single : A 343 THR OG1 : rot 27:sc= 0.0316 USER MOD Single : A 344 TYR OH : rot 16:sc= 0.308 USER MOD Single : A 351 ASN : amide:sc= 0.146 X(o=0.15,f=-0.00051) USER MOD Single : A 352 GLN : amide:sc= -7.54! C(o=-7.5!,f=-11!) USER MOD Single : A 353 HIS : no HE2:sc= -3.22! C(o=-3.2!,f=-2.9!) USER MOD Single : A 354 MET CE :methyl -174:sc= -5.87! (180deg=-6!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 47:sc= 0.0663 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -2.07! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.16) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 57:sc= -4.75! USER MOD Single : A 408 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.28) USER MOD Single : A 409 TYR OH : rot 165:sc= 0 USER MOD Single : A 416 THR OG1 : rot 32:sc= 0.889 USER MOD Single : A 426 GLN : amide:sc= -4.52 K(o=-4.5,f=-3.8!) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.0778 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -34:sc= 0.696 USER MOD Single : A 442 CYS SG : rot -117:sc= -1.41! USER MOD Single : A 445 THR OG1 : rot -151:sc= 1.18 USER MOD Single : A 448 SER OG : rot 180:sc= 0.00935 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 172:sc= -4.55! (180deg=-4.63!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 343 -16.008 0.332 4.490 1.00 0.23 N ATOM 73 CA THR A 343 -15.458 0.780 3.251 1.00 0.19 C ATOM 74 C THR A 343 -14.048 1.257 3.543 1.00 0.13 C ATOM 75 O THR A 343 -13.837 2.136 4.375 1.00 0.16 O ATOM 76 CB THR A 343 -16.314 1.913 2.689 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.642 1.436 2.437 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.726 2.465 1.420 1.00 0.20 C ATOM 0 HA THR A 343 -15.441 -0.017 2.508 1.00 0.19 H new ATOM 0 HB THR A 343 -16.342 2.714 3.427 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.842 0.691 3.041 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.359 3.270 1.046 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.727 2.852 1.620 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.665 1.674 0.673 1.00 0.20 H new ATOM 86 N TYR A 344 -13.102 0.666 2.857 1.00 0.10 N ATOM 87 CA TYR A 344 -11.702 0.848 3.142 1.00 0.07 C ATOM 88 C TYR A 344 -10.853 0.512 1.948 1.00 0.06 C ATOM 89 O TYR A 344 -11.344 0.319 0.847 1.00 0.08 O ATOM 90 CB TYR A 344 -11.264 -0.069 4.279 1.00 0.08 C ATOM 91 CG TYR A 344 -11.781 -1.485 4.194 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.137 -2.445 3.433 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.914 -1.856 4.886 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.614 -3.735 3.359 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.403 -3.144 4.823 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.748 -4.083 4.054 1.00 0.25 C ATOM 97 OH TYR A 344 -13.228 -5.368 3.964 1.00 0.32 O ATOM 0 H TYR A 344 -13.286 0.037 2.075 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.570 1.895 3.414 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.175 -0.097 4.303 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.593 0.366 5.223 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.244 -2.178 2.887 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.429 -1.123 5.490 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.099 -4.470 2.758 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.293 -3.415 5.372 1.00 0.25 H new ATOM 0 HH TYR A 344 -12.534 -5.951 3.590 1.00 0.32 H new ATOM 107 N ILE A 345 -9.560 0.475 2.182 1.00 0.05 N ATOM 108 CA ILE A 345 -8.652 -0.120 1.239 1.00 0.05 C ATOM 109 C ILE A 345 -8.256 -1.478 1.768 1.00 0.05 C ATOM 110 O ILE A 345 -8.341 -1.692 2.963 1.00 0.08 O ATOM 111 CB ILE A 345 -7.383 0.714 1.016 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.708 2.186 0.945 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.744 0.272 -0.283 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.703 2.468 -0.121 1.00 0.07 C ATOM 0 H ILE A 345 -9.117 0.852 3.020 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.163 -0.185 0.278 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.701 0.560 1.852 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.097 2.522 1.906 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.797 2.753 0.754 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.839 0.854 -0.460 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.489 -0.786 -0.222 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.443 0.430 -1.104 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -8.916 3.537 -0.146 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.302 2.155 -1.085 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.622 1.920 0.085 1.00 0.07 H new ATOM 126 N GLU A 346 -7.834 -2.387 0.916 1.00 0.05 N ATOM 127 CA GLU A 346 -7.441 -3.710 1.386 1.00 0.05 C ATOM 128 C GLU A 346 -6.185 -4.160 0.706 1.00 0.05 C ATOM 129 O GLU A 346 -5.836 -3.678 -0.347 1.00 0.06 O ATOM 130 CB GLU A 346 -8.545 -4.727 1.144 1.00 0.06 C ATOM 131 CG GLU A 346 -8.766 -5.604 2.327 1.00 0.07 C ATOM 132 CD GLU A 346 -9.748 -6.744 2.097 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.480 -7.598 1.221 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.792 -6.794 2.782 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.753 -2.245 -0.091 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.261 -3.639 2.459 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.471 -4.206 0.901 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.289 -5.341 0.280 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.808 -6.024 2.635 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.127 -4.992 3.154 1.00 0.07 H new ATOM 141 N VAL A 347 -5.485 -5.033 1.374 1.00 0.05 N ATOM 142 CA VAL A 347 -4.231 -5.559 0.907 1.00 0.05 C ATOM 143 C VAL A 347 -4.032 -6.955 1.430 1.00 0.07 C ATOM 144 O VAL A 347 -4.263 -7.235 2.603 1.00 0.08 O ATOM 145 CB VAL A 347 -3.061 -4.714 1.418 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.749 -5.403 1.113 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.076 -3.329 0.826 1.00 0.06 C ATOM 0 H VAL A 347 -5.775 -5.407 2.277 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.257 -5.548 -0.183 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.169 -4.612 2.498 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.924 -4.793 1.481 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.727 -6.377 1.602 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.650 -5.536 0.036 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.231 -2.759 1.212 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.003 -3.396 -0.259 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.005 -2.828 1.096 1.00 0.06 H new ATOM 157 N ASP A 348 -3.581 -7.799 0.555 1.00 0.08 N ATOM 158 CA ASP A 348 -3.193 -9.132 0.918 1.00 0.11 C ATOM 159 C ASP A 348 -1.717 -9.275 0.661 1.00 0.15 C ATOM 160 O ASP A 348 -1.256 -9.076 -0.460 1.00 0.24 O ATOM 161 CB ASP A 348 -4.007 -10.134 0.119 1.00 0.14 C ATOM 162 CG ASP A 348 -3.752 -11.583 0.489 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.583 -11.932 0.740 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.702 -12.381 0.531 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.470 -7.585 -0.436 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.386 -9.325 1.973 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.066 -9.917 0.258 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.790 -9.998 -0.940 1.00 0.14 H new ATOM 169 N LEU A 349 -0.977 -9.549 1.702 1.00 0.13 N ATOM 170 CA LEU A 349 0.455 -9.679 1.599 1.00 0.14 C ATOM 171 C LEU A 349 0.820 -10.949 0.866 1.00 0.20 C ATOM 172 O LEU A 349 1.588 -10.959 -0.087 1.00 0.32 O ATOM 173 CB LEU A 349 1.058 -9.670 3.004 1.00 0.16 C ATOM 174 CG LEU A 349 0.882 -8.377 3.785 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.983 -7.182 2.885 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.435 -8.355 4.496 1.00 0.12 C ATOM 0 H LEU A 349 -1.346 -9.688 2.643 1.00 0.13 H new ATOM 0 HA LEU A 349 0.857 -8.841 1.030 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.612 -10.483 3.577 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.124 -9.883 2.924 1.00 0.16 H new ATOM 0 HG LEU A 349 1.685 -8.333 4.521 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.853 -6.273 3.472 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.962 -7.168 2.407 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.207 -7.235 2.121 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.536 -7.420 5.047 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.243 -8.436 3.769 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.487 -9.193 5.191 1.00 0.12 H new ATOM 188 N GLU A 350 0.196 -12.005 1.329 1.00 0.20 N ATOM 189 CA GLU A 350 0.399 -13.347 0.822 1.00 0.24 C ATOM 190 C GLU A 350 0.178 -13.436 -0.672 1.00 0.22 C ATOM 191 O GLU A 350 1.000 -13.960 -1.414 1.00 0.31 O ATOM 192 CB GLU A 350 -0.583 -14.245 1.504 1.00 0.31 C ATOM 193 CG GLU A 350 -0.159 -14.657 2.886 1.00 0.41 C ATOM 194 CD GLU A 350 0.788 -15.837 2.881 1.00 0.84 C ATOM 195 OE1 GLU A 350 0.319 -16.985 2.746 1.00 1.51 O ATOM 196 OE2 GLU A 350 2.013 -15.624 3.012 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.484 -11.957 2.087 1.00 0.20 H new ATOM 0 HA GLU A 350 1.430 -13.639 1.020 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.546 -13.738 1.564 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.730 -15.138 0.896 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.322 -13.813 3.380 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.043 -14.909 3.472 1.00 0.41 H new ATOM 203 N ASN A 351 -0.987 -12.969 -1.083 1.00 0.18 N ATOM 204 CA ASN A 351 -1.425 -13.075 -2.460 1.00 0.19 C ATOM 205 C ASN A 351 -1.143 -11.776 -3.157 1.00 0.21 C ATOM 206 O ASN A 351 -1.612 -11.553 -4.274 1.00 0.35 O ATOM 207 CB ASN A 351 -2.924 -13.385 -2.532 1.00 0.27 C ATOM 208 CG ASN A 351 -3.284 -14.721 -1.918 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.204 -15.763 -2.569 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.715 -14.697 -0.668 1.00 0.39 N ATOM 0 H ASN A 351 -1.656 -12.505 -0.469 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.886 -13.889 -2.945 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.477 -12.596 -2.022 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.242 -13.374 -3.575 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.996 -15.563 -0.209 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.766 -13.812 -0.163 1.00 0.39 H new ATOM 217 N GLN A 352 -0.378 -10.929 -2.462 1.00 0.12 N ATOM 218 CA GLN A 352 0.088 -9.646 -2.991 1.00 0.11 C ATOM 219 C GLN A 352 -0.975 -8.963 -3.838 1.00 0.11 C ATOM 220 O GLN A 352 -0.850 -8.860 -5.063 1.00 0.18 O ATOM 221 CB GLN A 352 1.347 -9.839 -3.813 1.00 0.18 C ATOM 222 CG GLN A 352 2.549 -10.355 -3.030 1.00 0.30 C ATOM 223 CD GLN A 352 3.295 -9.267 -2.294 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.290 -8.749 -2.788 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.833 -8.919 -1.106 1.00 1.92 N ATOM 0 H GLN A 352 -0.063 -11.117 -1.510 1.00 0.12 H new ATOM 0 HA GLN A 352 0.304 -9.004 -2.137 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.132 -10.536 -4.623 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.613 -8.888 -4.274 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.212 -11.104 -2.313 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.233 -10.855 -3.716 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.002 -9.374 -0.729 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.308 -8.196 -0.566 1.00 1.92 H new ATOM 234 N HIS A 353 -1.996 -8.471 -3.180 1.00 0.07 N ATOM 235 CA HIS A 353 -3.129 -7.868 -3.871 1.00 0.07 C ATOM 236 C HIS A 353 -3.774 -6.813 -2.984 1.00 0.06 C ATOM 237 O HIS A 353 -4.145 -7.083 -1.858 1.00 0.07 O ATOM 238 CB HIS A 353 -4.161 -8.940 -4.203 1.00 0.08 C ATOM 239 CG HIS A 353 -5.035 -8.586 -5.366 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.752 -8.928 -6.668 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.194 -7.902 -5.412 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.705 -8.464 -7.456 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.597 -7.842 -6.718 1.00 0.13 N ATOM 0 H HIS A 353 -2.074 -8.472 -2.163 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.774 -7.404 -4.791 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.645 -9.876 -4.418 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.787 -9.114 -3.328 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.936 -9.456 -6.976 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.714 -7.476 -4.567 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.745 -8.577 -8.529 1.00 0.13 H new ATOM 252 N MET A 354 -3.872 -5.614 -3.495 1.00 0.05 N ATOM 253 CA MET A 354 -4.466 -4.507 -2.791 1.00 0.05 C ATOM 254 C MET A 354 -5.782 -4.111 -3.437 1.00 0.04 C ATOM 255 O MET A 354 -5.865 -3.905 -4.645 1.00 0.05 O ATOM 256 CB MET A 354 -3.486 -3.352 -2.799 1.00 0.05 C ATOM 257 CG MET A 354 -4.015 -2.134 -2.093 1.00 0.06 C ATOM 258 SD MET A 354 -3.692 -0.627 -2.983 1.00 0.06 S ATOM 259 CE MET A 354 -4.692 -1.012 -4.383 1.00 0.06 C ATOM 0 H MET A 354 -3.536 -5.375 -4.428 1.00 0.05 H new ATOM 0 HA MET A 354 -4.682 -4.792 -1.761 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.557 -3.667 -2.324 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.245 -3.093 -3.830 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.090 -2.242 -1.948 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.565 -2.069 -1.102 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.564 -0.243 -5.144 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.393 -1.978 -4.789 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.739 -1.053 -4.082 1.00 0.06 H new ATOM 269 N TRP A 355 -6.802 -4.038 -2.605 1.00 0.05 N ATOM 270 CA TRP A 355 -8.151 -3.733 -3.026 1.00 0.05 C ATOM 271 C TRP A 355 -8.599 -2.390 -2.536 1.00 0.05 C ATOM 272 O TRP A 355 -7.935 -1.769 -1.734 1.00 0.05 O ATOM 273 CB TRP A 355 -9.145 -4.734 -2.477 1.00 0.06 C ATOM 274 CG TRP A 355 -9.021 -6.093 -3.036 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.622 -6.551 -4.154 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.274 -7.172 -2.493 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.284 -7.854 -4.367 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.454 -8.269 -3.347 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.465 -7.312 -1.368 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.845 -9.501 -3.102 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.866 -8.520 -1.128 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.056 -9.606 -1.989 1.00 0.10 C ATOM 0 H TRP A 355 -6.713 -4.192 -1.601 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.126 -3.760 -4.115 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.026 -4.788 -1.395 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.153 -4.367 -2.669 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.276 -5.970 -4.788 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.594 -8.428 -5.151 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.312 -6.481 -0.695 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.991 -10.340 -3.766 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.236 -8.636 -0.259 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.570 -10.546 -1.771 1.00 0.10 H new ATOM 293 N TYR A 356 -9.758 -1.988 -2.990 1.00 0.06 N ATOM 294 CA TYR A 356 -10.471 -0.892 -2.386 1.00 0.06 C ATOM 295 C TYR A 356 -11.836 -1.402 -2.082 1.00 0.06 C ATOM 296 O TYR A 356 -12.548 -1.815 -2.962 1.00 0.07 O ATOM 297 CB TYR A 356 -10.536 0.311 -3.297 1.00 0.06 C ATOM 298 CG TYR A 356 -11.359 1.467 -2.712 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.715 1.342 -2.498 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.771 2.670 -2.344 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.451 2.366 -1.941 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.503 3.697 -1.782 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.862 3.594 -1.722 1.00 0.13 C ATOM 304 OH TYR A 356 -13.581 4.554 -1.019 1.00 0.20 O ATOM 0 H TYR A 356 -10.234 -2.410 -3.787 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.959 -0.554 -1.485 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.524 0.660 -3.500 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -10.968 0.013 -4.252 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.211 0.423 -2.772 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.711 2.806 -2.502 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.486 2.207 -1.677 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.005 4.573 -1.394 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.044 5.370 -0.938 1.00 0.20 H new ATOM 314 N TYR A 357 -12.173 -1.449 -0.834 1.00 0.09 N ATOM 315 CA TYR A 357 -13.464 -1.936 -0.463 1.00 0.11 C ATOM 316 C TYR A 357 -14.410 -0.817 -0.175 1.00 0.12 C ATOM 317 O TYR A 357 -14.120 0.092 0.577 1.00 0.14 O ATOM 318 CB TYR A 357 -13.420 -2.870 0.734 1.00 0.12 C ATOM 319 CG TYR A 357 -13.018 -4.272 0.393 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.721 -4.574 -0.002 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.937 -5.295 0.473 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.361 -5.868 -0.312 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.589 -6.584 0.171 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.250 -6.852 -0.250 1.00 0.14 C ATOM 325 OH TYR A 357 -11.957 -8.170 -0.534 1.00 0.18 O ATOM 0 H TYR A 357 -11.578 -1.159 -0.058 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.821 -2.503 -1.323 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.722 -2.470 1.469 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.403 -2.888 1.205 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.986 -3.786 -0.067 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.949 -5.076 0.779 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.345 -6.084 -0.608 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.312 -7.382 0.249 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.133 -8.429 -0.071 1.00 0.18 H new ATOM 335 N LYS A 358 -15.536 -0.919 -0.796 1.00 0.12 N ATOM 336 CA LYS A 358 -16.631 -0.075 -0.589 1.00 0.14 C ATOM 337 C LYS A 358 -17.865 -0.868 -0.836 1.00 0.17 C ATOM 338 O LYS A 358 -17.910 -1.704 -1.738 1.00 0.19 O ATOM 339 CB LYS A 358 -16.551 1.104 -1.475 1.00 0.18 C ATOM 340 CG LYS A 358 -17.835 1.742 -1.635 1.00 0.24 C ATOM 341 CD LYS A 358 -17.626 3.189 -1.571 1.00 0.28 C ATOM 342 CE LYS A 358 -17.137 3.686 -2.884 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.412 5.129 -3.105 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.712 -1.638 -1.498 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.640 0.304 0.433 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.838 1.819 -1.065 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.172 0.800 -2.451 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.284 1.463 -2.588 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.522 1.420 -0.852 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.558 3.689 -1.307 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -16.904 3.427 -0.790 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.063 3.513 -2.953 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.605 3.108 -3.681 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.047 5.413 -4.036 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.438 5.296 -3.069 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -16.944 5.689 -2.364 1.00 0.47 H new ATOM 357 N ASP A 359 -18.834 -0.632 0.020 1.00 0.23 N ATOM 358 CA ASP A 359 -20.115 -1.289 -0.060 1.00 0.30 C ATOM 359 C ASP A 359 -19.956 -2.716 0.366 1.00 0.27 C ATOM 360 O ASP A 359 -20.851 -3.548 0.232 1.00 0.33 O ATOM 361 CB ASP A 359 -20.652 -1.198 -1.478 1.00 0.34 C ATOM 362 CG ASP A 359 -22.159 -1.044 -1.542 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.656 0.087 -1.353 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.855 -2.053 -1.774 1.00 0.60 O ATOM 0 H ASP A 359 -18.753 0.026 0.795 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.830 -0.801 0.602 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.186 -0.351 -1.982 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.362 -2.094 -2.027 1.00 0.34 H new ATOM 369 N GLY A 360 -18.781 -2.954 0.933 1.00 0.22 N ATOM 370 CA GLY A 360 -18.431 -4.243 1.437 1.00 0.21 C ATOM 371 C GLY A 360 -17.900 -5.139 0.354 1.00 0.19 C ATOM 372 O GLY A 360 -17.749 -6.349 0.516 1.00 0.23 O ATOM 0 H GLY A 360 -18.054 -2.248 1.049 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.681 -4.136 2.221 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.306 -4.705 1.894 1.00 0.21 H new ATOM 376 N LYS A 361 -17.597 -4.490 -0.730 1.00 0.16 N ATOM 377 CA LYS A 361 -17.243 -5.082 -1.981 1.00 0.17 C ATOM 378 C LYS A 361 -16.063 -4.282 -2.494 1.00 0.13 C ATOM 379 O LYS A 361 -15.717 -3.281 -1.883 1.00 0.15 O ATOM 380 CB LYS A 361 -18.494 -4.948 -2.845 1.00 0.22 C ATOM 381 CG LYS A 361 -18.279 -4.657 -4.297 1.00 0.32 C ATOM 382 CD LYS A 361 -18.390 -5.885 -5.163 1.00 0.55 C ATOM 383 CE LYS A 361 -17.591 -7.013 -4.596 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.486 -8.171 -5.519 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.591 -3.471 -0.764 1.00 0.16 H new ATOM 0 HA LYS A 361 -16.949 -6.131 -1.951 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.064 -5.873 -2.764 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.113 -4.154 -2.427 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -19.010 -3.919 -4.627 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.293 -4.212 -4.431 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.435 -6.182 -5.248 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.041 -5.657 -6.170 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.590 -6.656 -4.354 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.047 -7.340 -3.662 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -16.921 -8.921 -5.072 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.437 -8.533 -5.731 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.025 -7.871 -6.402 1.00 0.68 H new ATOM 398 N VAL A 362 -15.415 -4.673 -3.567 1.00 0.10 N ATOM 399 CA VAL A 362 -14.283 -3.894 -3.978 1.00 0.09 C ATOM 400 C VAL A 362 -14.591 -3.018 -5.126 1.00 0.09 C ATOM 401 O VAL A 362 -15.305 -3.343 -6.078 1.00 0.11 O ATOM 402 CB VAL A 362 -12.983 -4.653 -4.262 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.697 -5.675 -3.206 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.960 -5.259 -5.630 1.00 0.52 C ATOM 0 H VAL A 362 -15.640 -5.484 -4.143 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.085 -3.305 -3.083 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.182 -3.914 -4.233 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.767 -6.192 -3.443 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.602 -5.182 -2.239 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.513 -6.396 -3.167 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.017 -5.785 -5.779 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.787 -5.962 -5.731 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.059 -4.472 -6.378 1.00 0.52 H new ATOM 414 N ALA A 363 -14.036 -1.884 -4.949 1.00 0.09 N ATOM 415 CA ALA A 363 -14.058 -0.826 -5.859 1.00 0.10 C ATOM 416 C ALA A 363 -12.835 -0.908 -6.710 1.00 0.10 C ATOM 417 O ALA A 363 -12.794 -0.432 -7.844 1.00 0.12 O ATOM 418 CB ALA A 363 -14.012 0.420 -5.045 1.00 0.11 C ATOM 0 H ALA A 363 -13.518 -1.661 -4.099 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.940 -0.850 -6.499 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.027 1.287 -5.706 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.877 0.454 -4.382 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.099 0.433 -4.450 1.00 0.11 H new ATOM 424 N LEU A 364 -11.828 -1.534 -6.132 1.00 0.08 N ATOM 425 CA LEU A 364 -10.543 -1.559 -6.733 1.00 0.07 C ATOM 426 C LEU A 364 -9.817 -2.812 -6.297 1.00 0.06 C ATOM 427 O LEU A 364 -10.122 -3.380 -5.252 1.00 0.08 O ATOM 428 CB LEU A 364 -9.754 -0.312 -6.373 1.00 0.06 C ATOM 429 CG LEU A 364 -8.785 0.091 -7.458 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.461 0.925 -8.512 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.597 0.829 -6.929 1.00 0.06 C ATOM 0 H LEU A 364 -11.893 -2.029 -5.243 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.650 -1.571 -7.818 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.445 0.509 -6.184 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.206 -0.487 -5.447 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.431 -0.840 -7.901 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.737 1.199 -9.279 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.270 0.353 -8.965 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.866 1.828 -8.056 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.936 1.093 -7.754 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.928 1.737 -6.424 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.060 0.196 -6.222 1.00 0.06 H new ATOM 443 N GLU A 365 -8.880 -3.240 -7.111 1.00 0.07 N ATOM 444 CA GLU A 365 -8.146 -4.484 -6.896 1.00 0.07 C ATOM 445 C GLU A 365 -6.946 -4.517 -7.787 1.00 0.07 C ATOM 446 O GLU A 365 -7.069 -4.404 -9.009 1.00 0.09 O ATOM 447 CB GLU A 365 -8.962 -5.732 -7.213 1.00 0.09 C ATOM 448 CG GLU A 365 -10.354 -5.454 -7.735 1.00 0.22 C ATOM 449 CD GLU A 365 -10.832 -6.503 -8.709 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.159 -7.621 -8.264 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.905 -6.209 -9.921 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.597 -2.736 -7.951 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.884 -4.496 -5.838 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.423 -6.326 -7.951 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.040 -6.339 -6.311 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.048 -5.400 -6.896 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.367 -4.479 -8.222 1.00 0.22 H new ATOM 458 N THR A 366 -5.792 -4.656 -7.200 1.00 0.06 N ATOM 459 CA THR A 366 -4.606 -4.831 -7.972 1.00 0.06 C ATOM 460 C THR A 366 -3.606 -5.708 -7.267 1.00 0.06 C ATOM 461 O THR A 366 -3.724 -6.001 -6.086 1.00 0.07 O ATOM 462 CB THR A 366 -3.998 -3.480 -8.311 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.756 -3.642 -8.983 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.817 -2.676 -7.054 1.00 0.07 C ATOM 0 H THR A 366 -5.652 -4.651 -6.190 1.00 0.06 H new ATOM 0 HA THR A 366 -4.880 -5.336 -8.898 1.00 0.06 H new ATOM 0 HB THR A 366 -4.675 -2.947 -8.979 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.914 -4.000 -9.881 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.381 -1.708 -7.301 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.785 -2.526 -6.575 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.154 -3.210 -6.373 1.00 0.07 H new ATOM 472 N ASP A 367 -2.639 -6.116 -8.026 1.00 0.07 N ATOM 473 CA ASP A 367 -1.517 -6.856 -7.554 1.00 0.10 C ATOM 474 C ASP A 367 -0.547 -5.857 -7.003 1.00 0.10 C ATOM 475 O ASP A 367 -0.467 -4.726 -7.487 1.00 0.11 O ATOM 476 CB ASP A 367 -0.886 -7.590 -8.719 1.00 0.15 C ATOM 477 CG ASP A 367 -1.586 -8.886 -9.077 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.609 -8.838 -9.793 1.00 1.54 O1- ATOM 479 OD2 ASP A 367 -1.113 -9.962 -8.656 1.00 1.88 O ATOM 0 H ASP A 367 -2.610 -5.935 -9.029 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.804 -7.584 -6.795 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.885 -6.936 -9.591 1.00 0.15 H new ATOM 0 HB3 ASP A 367 0.156 -7.805 -8.480 1.00 0.15 H new ATOM 484 N ILE A 368 0.144 -6.255 -5.979 1.00 0.09 N ATOM 485 CA ILE A 368 1.096 -5.392 -5.311 1.00 0.09 C ATOM 486 C ILE A 368 2.296 -6.170 -4.831 1.00 0.09 C ATOM 487 O ILE A 368 2.447 -7.351 -5.125 1.00 0.11 O ATOM 488 CB ILE A 368 0.464 -4.691 -4.115 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.220 -5.730 -3.245 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.495 -3.609 -4.576 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.541 -6.048 -1.986 1.00 0.11 C ATOM 0 H ILE A 368 0.070 -7.188 -5.574 1.00 0.09 H new ATOM 0 HA ILE A 368 1.412 -4.649 -6.043 1.00 0.09 H new ATOM 0 HB ILE A 368 1.232 -4.195 -3.522 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.215 -5.373 -2.979 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.353 -6.645 -3.821 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.936 -3.120 -3.708 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.046 -2.873 -5.171 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.284 -4.056 -5.181 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.003 -6.797 -1.411 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.527 -6.435 -2.245 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.652 -5.143 -1.389 1.00 0.11 H new ATOM 503 N VAL A 369 3.134 -5.489 -4.079 1.00 0.09 N ATOM 504 CA VAL A 369 4.276 -6.104 -3.442 1.00 0.09 C ATOM 505 C VAL A 369 4.643 -5.301 -2.202 1.00 0.09 C ATOM 506 O VAL A 369 4.885 -4.100 -2.270 1.00 0.11 O ATOM 507 CB VAL A 369 5.476 -6.316 -4.412 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.389 -5.437 -5.633 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.808 -6.116 -3.726 1.00 0.12 C ATOM 0 H VAL A 369 3.041 -4.491 -3.892 1.00 0.09 H new ATOM 0 HA VAL A 369 4.003 -7.113 -3.134 1.00 0.09 H new ATOM 0 HB VAL A 369 5.411 -7.354 -4.737 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.249 -5.623 -6.277 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.472 -5.661 -6.178 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.383 -4.390 -5.328 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.614 -6.275 -4.443 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.866 -5.101 -3.333 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.906 -6.828 -2.907 1.00 0.12 H new ATOM 519 N SER A 370 4.574 -5.965 -1.062 1.00 0.09 N ATOM 520 CA SER A 370 4.603 -5.299 0.221 1.00 0.10 C ATOM 521 C SER A 370 5.371 -6.072 1.287 1.00 0.10 C ATOM 522 O SER A 370 5.266 -7.292 1.372 1.00 0.10 O ATOM 523 CB SER A 370 3.180 -5.132 0.686 1.00 0.12 C ATOM 524 OG SER A 370 3.127 -4.872 2.064 1.00 0.70 O ATOM 0 H SER A 370 4.496 -6.980 -1.003 1.00 0.09 H new ATOM 0 HA SER A 370 5.115 -4.346 0.087 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.709 -4.315 0.140 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.612 -6.035 0.461 1.00 0.12 H new ATOM 0 HG SER A 370 3.747 -4.146 2.284 1.00 0.70 H new ATOM 530 N GLY A 371 6.080 -5.340 2.130 1.00 0.09 N ATOM 531 CA GLY A 371 6.507 -5.889 3.398 1.00 0.10 C ATOM 532 C GLY A 371 7.631 -6.926 3.361 1.00 0.11 C ATOM 533 O GLY A 371 7.478 -7.975 3.973 1.00 0.13 O ATOM 0 H GLY A 371 6.367 -4.376 1.959 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.828 -5.064 4.034 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.641 -6.344 3.879 1.00 0.10 H new ATOM 537 N LYS A 372 8.720 -6.661 2.633 1.00 0.11 N ATOM 538 CA LYS A 372 9.808 -7.613 2.437 1.00 0.14 C ATOM 539 C LYS A 372 10.187 -8.294 3.737 1.00 0.16 C ATOM 540 O LYS A 372 10.074 -7.723 4.811 1.00 0.19 O ATOM 541 CB LYS A 372 11.027 -6.889 1.935 1.00 0.17 C ATOM 542 CG LYS A 372 11.623 -6.034 2.992 1.00 0.22 C ATOM 543 CD LYS A 372 12.842 -5.369 2.538 1.00 0.30 C ATOM 544 CE LYS A 372 13.825 -6.365 2.039 1.00 0.47 C ATOM 545 NZ LYS A 372 15.225 -5.861 2.043 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.869 -5.770 2.160 1.00 0.11 H new ATOM 0 HA LYS A 372 9.465 -8.359 1.720 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.766 -7.613 1.591 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.759 -6.274 1.076 1.00 0.17 H new ATOM 0 HG2 LYS A 372 10.896 -5.284 3.304 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.848 -6.644 3.867 1.00 0.22 H new ATOM 0 HD2 LYS A 372 12.602 -4.659 1.747 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.278 -4.798 3.358 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.767 -7.263 2.655 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.554 -6.657 1.024 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.861 -6.601 1.684 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.293 -5.021 1.434 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.500 -5.608 3.014 1.00 0.48 H new ATOM 559 N PRO A 373 10.619 -9.533 3.613 1.00 0.18 N ATOM 560 CA PRO A 373 10.998 -10.415 4.716 1.00 0.20 C ATOM 561 C PRO A 373 11.718 -9.728 5.888 1.00 0.20 C ATOM 562 O PRO A 373 11.570 -10.142 7.037 1.00 0.22 O ATOM 563 CB PRO A 373 11.908 -11.375 3.991 1.00 0.23 C ATOM 564 CG PRO A 373 11.163 -11.593 2.739 1.00 0.22 C ATOM 565 CD PRO A 373 10.779 -10.210 2.326 1.00 0.19 C ATOM 0 HA PRO A 373 10.136 -10.854 5.218 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.895 -10.949 3.812 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.056 -12.301 4.547 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.778 -12.083 1.984 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.288 -12.224 2.895 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.548 -9.741 1.713 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.857 -10.201 1.744 1.00 0.19 H new ATOM 573 N THR A 374 12.479 -8.669 5.600 1.00 0.20 N ATOM 574 CA THR A 374 13.231 -7.970 6.622 1.00 0.23 C ATOM 575 C THR A 374 12.349 -6.974 7.353 1.00 0.20 C ATOM 576 O THR A 374 12.490 -6.757 8.556 1.00 0.23 O ATOM 577 CB THR A 374 14.406 -7.224 5.980 1.00 0.28 C ATOM 578 OG1 THR A 374 13.971 -5.968 5.425 1.00 0.28 O ATOM 579 CG2 THR A 374 14.990 -8.069 4.874 1.00 0.30 C ATOM 0 H THR A 374 12.585 -8.283 4.662 1.00 0.20 H new ATOM 0 HA THR A 374 13.602 -8.704 7.337 1.00 0.23 H new ATOM 0 HB THR A 374 15.155 -7.032 6.748 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.736 -5.506 5.022 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.826 -7.541 4.415 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.341 -9.015 5.286 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.226 -8.262 4.121 1.00 0.30 H new ATOM 587 N THR A 375 11.445 -6.358 6.608 1.00 0.18 N ATOM 588 CA THR A 375 10.546 -5.366 7.161 1.00 0.18 C ATOM 589 C THR A 375 9.159 -5.519 6.558 1.00 0.14 C ATOM 590 O THR A 375 8.735 -4.754 5.689 1.00 0.13 O ATOM 591 CB THR A 375 11.067 -3.937 6.958 1.00 0.23 C ATOM 592 OG1 THR A 375 12.459 -3.869 7.312 1.00 0.30 O ATOM 593 CG2 THR A 375 10.273 -2.962 7.810 1.00 0.27 C ATOM 0 H THR A 375 11.317 -6.532 5.611 1.00 0.18 H new ATOM 0 HA THR A 375 10.490 -5.538 8.236 1.00 0.18 H new ATOM 0 HB THR A 375 10.949 -3.667 5.909 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.984 -4.400 6.678 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.653 -1.952 7.657 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.222 -3.002 7.524 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.374 -3.232 8.861 1.00 0.27 H new ATOM 601 N PRO A 376 8.479 -6.562 7.003 1.00 0.13 N ATOM 602 CA PRO A 376 7.146 -6.948 6.552 1.00 0.11 C ATOM 603 C PRO A 376 6.054 -5.998 6.976 1.00 0.11 C ATOM 604 O PRO A 376 6.207 -5.183 7.893 1.00 0.15 O ATOM 605 CB PRO A 376 6.932 -8.293 7.229 1.00 0.14 C ATOM 606 CG PRO A 376 8.281 -8.738 7.582 1.00 0.16 C ATOM 607 CD PRO A 376 8.994 -7.505 7.975 1.00 0.15 C ATOM 0 HA PRO A 376 7.095 -6.959 5.463 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.300 -8.198 8.112 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.441 -9.001 6.561 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.259 -9.459 8.399 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.770 -9.226 6.739 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.767 -7.207 8.999 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.076 -7.616 7.908 1.00 0.15 H new ATOM 615 N THR A 377 4.948 -6.124 6.269 1.00 0.08 N ATOM 616 CA THR A 377 3.748 -5.391 6.550 1.00 0.08 C ATOM 617 C THR A 377 3.088 -5.897 7.827 1.00 0.08 C ATOM 618 O THR A 377 3.169 -7.073 8.177 1.00 0.11 O ATOM 619 CB THR A 377 2.768 -5.550 5.386 1.00 0.09 C ATOM 620 OG1 THR A 377 3.396 -6.320 4.355 1.00 0.12 O ATOM 621 CG2 THR A 377 2.339 -4.215 4.828 1.00 0.11 C ATOM 0 H THR A 377 4.866 -6.753 5.470 1.00 0.08 H new ATOM 0 HA THR A 377 4.010 -4.341 6.682 1.00 0.08 H new ATOM 0 HB THR A 377 1.876 -6.056 5.755 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.258 -5.882 3.489 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.644 -4.372 4.003 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.850 -3.634 5.610 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.213 -3.674 4.467 1.00 0.11 H new ATOM 629 N PRO A 378 2.375 -4.988 8.482 1.00 0.07 N ATOM 630 CA PRO A 378 1.806 -5.171 9.809 1.00 0.07 C ATOM 631 C PRO A 378 0.525 -5.988 9.810 1.00 0.07 C ATOM 632 O PRO A 378 0.390 -6.929 10.589 1.00 0.09 O ATOM 633 CB PRO A 378 1.489 -3.747 10.257 1.00 0.08 C ATOM 634 CG PRO A 378 1.810 -2.846 9.116 1.00 0.09 C ATOM 635 CD PRO A 378 2.038 -3.694 7.929 1.00 0.08 C ATOM 0 HA PRO A 378 2.495 -5.715 10.454 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.439 -3.656 10.536 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.077 -3.480 11.135 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.992 -2.148 8.937 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.695 -2.249 9.336 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.149 -3.748 7.300 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.844 -3.303 7.308 1.00 0.08 H new ATOM 643 N ALA A 379 -0.406 -5.606 8.936 1.00 0.06 N ATOM 644 CA ALA A 379 -1.712 -6.238 8.835 1.00 0.07 C ATOM 645 C ALA A 379 -2.596 -6.003 10.049 1.00 0.07 C ATOM 646 O ALA A 379 -2.248 -6.326 11.186 1.00 0.09 O ATOM 647 CB ALA A 379 -1.558 -7.692 8.503 1.00 0.08 C ATOM 0 H ALA A 379 -0.269 -4.842 8.274 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.244 -5.755 8.015 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.542 -8.155 8.430 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.037 -7.795 7.551 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.982 -8.185 9.286 1.00 0.08 H new ATOM 653 N GLY A 380 -3.755 -5.425 9.768 1.00 0.08 N ATOM 654 CA GLY A 380 -4.692 -5.056 10.793 1.00 0.10 C ATOM 655 C GLY A 380 -5.745 -4.133 10.256 1.00 0.10 C ATOM 656 O GLY A 380 -6.345 -4.400 9.218 1.00 0.11 O ATOM 0 H GLY A 380 -4.062 -5.203 8.821 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.162 -5.951 11.200 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.165 -4.572 11.615 1.00 0.10 H new ATOM 660 N VAL A 381 -5.928 -3.032 10.944 1.00 0.11 N ATOM 661 CA VAL A 381 -6.903 -2.035 10.574 1.00 0.12 C ATOM 662 C VAL A 381 -6.211 -0.684 10.519 1.00 0.12 C ATOM 663 O VAL A 381 -5.955 -0.049 11.546 1.00 0.21 O ATOM 664 CB VAL A 381 -8.059 -1.982 11.582 1.00 0.16 C ATOM 665 CG1 VAL A 381 -9.037 -0.866 11.237 1.00 0.89 C ATOM 666 CG2 VAL A 381 -8.781 -3.318 11.646 1.00 0.87 C ATOM 0 H VAL A 381 -5.399 -2.801 11.785 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.322 -2.293 9.602 1.00 0.12 H new ATOM 0 HB VAL A 381 -7.635 -1.771 12.564 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -9.846 -0.852 11.968 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -8.517 0.092 11.253 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -9.449 -1.038 10.243 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.596 -3.257 12.367 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -9.183 -3.562 10.663 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -8.082 -4.095 11.954 1.00 0.87 H new ATOM 676 N PHE A 382 -5.881 -0.270 9.320 1.00 0.10 N ATOM 677 CA PHE A 382 -5.084 0.918 9.110 1.00 0.10 C ATOM 678 C PHE A 382 -5.984 2.042 8.627 1.00 0.09 C ATOM 679 O PHE A 382 -7.139 1.794 8.297 1.00 0.11 O ATOM 680 CB PHE A 382 -4.008 0.621 8.069 1.00 0.16 C ATOM 681 CG PHE A 382 -3.198 -0.593 8.375 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.068 -0.501 9.155 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.573 -1.831 7.873 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.321 -1.622 9.432 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.834 -2.949 8.149 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.709 -2.846 8.927 1.00 0.10 C ATOM 0 H PHE A 382 -6.156 -0.746 8.461 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.606 1.219 10.042 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.482 0.495 7.095 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.343 1.481 7.991 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.766 0.457 9.552 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.457 -1.913 7.258 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.434 -1.545 10.043 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.135 -3.909 7.756 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.124 -3.727 9.145 1.00 0.10 H new ATOM 696 N TYR A 383 -5.470 3.262 8.577 1.00 0.08 N ATOM 697 CA TYR A 383 -6.239 4.388 8.045 1.00 0.09 C ATOM 698 C TYR A 383 -5.323 5.394 7.409 1.00 0.09 C ATOM 699 O TYR A 383 -4.271 5.697 7.958 1.00 0.11 O ATOM 700 CB TYR A 383 -7.049 5.127 9.112 1.00 0.12 C ATOM 701 CG TYR A 383 -8.046 4.279 9.878 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.217 3.844 9.270 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.820 3.909 11.199 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.132 3.069 9.955 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.732 3.137 11.891 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.865 2.727 11.302 1.00 0.54 C ATOM 707 OH TYR A 383 -10.794 1.941 11.950 1.00 0.69 O ATOM 0 H TYR A 383 -4.531 3.501 8.895 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.927 3.952 7.321 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.356 5.574 9.824 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.587 5.945 8.633 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.415 4.117 8.244 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.915 4.231 11.693 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.036 2.730 9.471 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.531 2.861 12.916 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.497 1.774 12.869 1.00 0.69 H new ATOM 717 N VAL A 384 -5.726 5.944 6.285 1.00 0.09 N ATOM 718 CA VAL A 384 -4.935 6.977 5.667 1.00 0.10 C ATOM 719 C VAL A 384 -5.077 8.283 6.433 1.00 0.11 C ATOM 720 O VAL A 384 -6.178 8.816 6.602 1.00 0.13 O ATOM 721 CB VAL A 384 -5.268 7.173 4.168 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.718 6.876 3.886 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.929 8.579 3.718 1.00 0.14 C ATOM 0 H VAL A 384 -6.583 5.697 5.789 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.896 6.652 5.710 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.658 6.468 3.604 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.920 7.023 2.825 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.937 5.843 4.158 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.347 7.547 4.471 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.172 8.691 2.661 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.506 9.297 4.301 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.865 8.762 3.867 1.00 0.14 H new ATOM 733 N TRP A 385 -3.953 8.782 6.915 1.00 0.12 N ATOM 734 CA TRP A 385 -3.952 9.983 7.720 1.00 0.14 C ATOM 735 C TRP A 385 -3.352 11.157 6.989 1.00 0.16 C ATOM 736 O TRP A 385 -3.199 12.247 7.546 1.00 0.19 O ATOM 737 CB TRP A 385 -3.207 9.772 9.012 1.00 0.16 C ATOM 738 CG TRP A 385 -1.871 9.143 8.827 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.608 7.818 8.715 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.619 9.815 8.733 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.254 7.620 8.574 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.374 8.836 8.585 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.247 11.152 8.766 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.724 9.157 8.472 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.083 11.474 8.652 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.061 10.481 8.509 1.00 0.17 C ATOM 0 H TRP A 385 -3.032 8.372 6.761 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.997 10.208 7.935 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.082 10.732 9.512 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.808 9.145 9.671 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.351 7.034 8.734 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.207 6.715 8.477 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.991 11.926 8.879 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.476 8.390 8.359 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.381 12.512 8.673 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.099 10.767 8.427 1.00 0.17 H new ATOM 757 N ASN A 386 -3.022 10.929 5.744 1.00 0.16 N ATOM 758 CA ASN A 386 -2.526 11.977 4.883 1.00 0.21 C ATOM 759 C ASN A 386 -2.575 11.528 3.441 1.00 0.20 C ATOM 760 O ASN A 386 -2.467 10.347 3.138 1.00 0.18 O ATOM 761 CB ASN A 386 -1.102 12.383 5.251 1.00 0.24 C ATOM 762 CG ASN A 386 -0.694 13.652 4.548 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.860 14.754 5.069 1.00 0.41 O ATOM 764 ND2 ASN A 386 -0.161 13.501 3.355 1.00 0.31 N ATOM 0 H ASN A 386 -3.088 10.015 5.297 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.168 12.848 5.018 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.029 12.523 6.330 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.413 11.581 4.986 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.135 14.318 2.821 1.00 0.31 H new ATOM 0 HD22 ASN A 386 -0.043 12.566 2.964 1.00 0.31 H new ATOM 771 N LYS A 387 -2.791 12.474 2.566 1.00 0.22 N ATOM 772 CA LYS A 387 -2.661 12.251 1.151 1.00 0.22 C ATOM 773 C LYS A 387 -1.454 12.973 0.630 1.00 0.19 C ATOM 774 O LYS A 387 -1.407 14.201 0.591 1.00 0.24 O ATOM 775 CB LYS A 387 -3.878 12.734 0.429 1.00 0.32 C ATOM 776 CG LYS A 387 -5.030 11.797 0.461 1.00 1.09 C ATOM 777 CD LYS A 387 -6.282 12.620 0.426 1.00 0.96 C ATOM 778 CE LYS A 387 -6.237 13.611 -0.704 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.559 13.833 -1.342 1.00 0.67 N1+ ATOM 0 H LYS A 387 -3.063 13.425 2.816 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.550 11.180 0.980 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.188 13.685 0.863 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.614 12.929 -0.610 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.995 11.117 -0.390 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -5.000 11.183 1.361 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.148 11.968 0.310 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.403 13.146 1.373 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.858 14.562 -0.330 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.532 13.261 -1.458 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.461 14.525 -2.112 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.914 12.934 -1.727 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.230 14.195 -0.634 1.00 0.67 H new ATOM 793 N GLU A 388 -0.484 12.207 0.257 1.00 0.18 N ATOM 794 CA GLU A 388 0.738 12.726 -0.266 1.00 0.18 C ATOM 795 C GLU A 388 0.847 12.450 -1.730 1.00 0.23 C ATOM 796 O GLU A 388 0.798 11.331 -2.187 1.00 0.38 O ATOM 797 CB GLU A 388 1.893 12.134 0.490 1.00 0.16 C ATOM 798 CG GLU A 388 2.618 13.165 1.301 1.00 0.16 C ATOM 799 CD GLU A 388 3.730 12.585 2.151 1.00 0.20 C ATOM 800 OE1 GLU A 388 4.852 12.411 1.634 1.00 0.32 O ATOM 801 OE2 GLU A 388 3.491 12.295 3.339 1.00 0.32 O1- ATOM 0 H GLU A 388 -0.517 11.189 0.307 1.00 0.18 H new ATOM 0 HA GLU A 388 0.755 13.808 -0.139 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.530 11.344 1.148 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.587 11.670 -0.212 1.00 0.16 H new ATOM 0 HG2 GLU A 388 3.036 13.916 0.631 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.905 13.676 1.948 1.00 0.16 H new ATOM 808 N GLU A 389 0.962 13.500 -2.456 1.00 0.17 N ATOM 809 CA GLU A 389 1.064 13.428 -3.867 1.00 0.19 C ATOM 810 C GLU A 389 2.384 13.967 -4.306 1.00 0.21 C ATOM 811 O GLU A 389 2.911 14.941 -3.767 1.00 0.26 O ATOM 812 CB GLU A 389 -0.046 14.212 -4.495 1.00 0.21 C ATOM 813 CG GLU A 389 -1.393 13.590 -4.321 1.00 0.30 C ATOM 814 CD GLU A 389 -2.452 14.262 -5.167 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.470 14.039 -6.392 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.260 15.038 -4.613 1.00 1.18 O ATOM 0 H GLU A 389 0.988 14.448 -2.082 1.00 0.17 H new ATOM 0 HA GLU A 389 0.985 12.387 -4.181 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.060 15.214 -4.065 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.158 14.325 -5.560 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.339 12.533 -4.583 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.682 13.644 -3.271 1.00 0.30 H new ATOM 823 N ASP A 390 2.875 13.289 -5.327 1.00 0.20 N ATOM 824 CA ASP A 390 4.180 13.535 -5.913 1.00 0.19 C ATOM 825 C ASP A 390 5.221 13.468 -4.819 1.00 0.21 C ATOM 826 O ASP A 390 6.316 14.013 -4.918 1.00 0.40 O ATOM 827 CB ASP A 390 4.195 14.877 -6.619 1.00 0.24 C ATOM 828 CG ASP A 390 5.450 15.097 -7.438 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.700 14.302 -8.368 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.194 16.058 -7.156 1.00 0.36 O ATOM 0 H ASP A 390 2.364 12.533 -5.783 1.00 0.20 H new ATOM 0 HA ASP A 390 4.407 12.776 -6.662 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.324 14.949 -7.271 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.106 15.672 -5.879 1.00 0.24 H new ATOM 835 N ALA A 391 4.858 12.708 -3.807 1.00 0.15 N ATOM 836 CA ALA A 391 5.538 12.673 -2.548 1.00 0.16 C ATOM 837 C ALA A 391 6.728 11.758 -2.570 1.00 0.15 C ATOM 838 O ALA A 391 6.962 11.008 -3.515 1.00 0.16 O ATOM 839 CB ALA A 391 4.554 12.235 -1.478 1.00 0.16 C ATOM 0 H ALA A 391 4.055 12.081 -3.849 1.00 0.15 H new ATOM 0 HA ALA A 391 5.916 13.672 -2.331 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.057 12.203 -0.512 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.726 12.943 -1.433 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.171 11.244 -1.720 1.00 0.16 H new ATOM 845 N THR A 392 7.472 11.849 -1.511 1.00 0.16 N ATOM 846 CA THR A 392 8.682 11.099 -1.364 1.00 0.17 C ATOM 847 C THR A 392 8.671 10.372 -0.052 1.00 0.16 C ATOM 848 O THR A 392 8.853 10.945 1.023 1.00 0.18 O ATOM 849 CB THR A 392 9.936 11.966 -1.462 1.00 0.20 C ATOM 850 OG1 THR A 392 10.099 12.441 -2.806 1.00 0.27 O ATOM 851 CG2 THR A 392 11.168 11.161 -1.022 1.00 0.22 C ATOM 0 H THR A 392 7.255 12.451 -0.717 1.00 0.16 H new ATOM 0 HA THR A 392 8.719 10.390 -2.191 1.00 0.17 H new ATOM 0 HB THR A 392 9.829 12.825 -0.800 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.904 12.997 -2.861 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.057 11.787 -1.095 1.00 0.22 H new ATOM 0 HG22 THR A 392 11.039 10.833 0.010 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.283 10.290 -1.668 1.00 0.22 H new ATOM 859 N LEU A 393 8.403 9.116 -0.177 1.00 0.15 N ATOM 860 CA LEU A 393 8.406 8.197 0.904 1.00 0.16 C ATOM 861 C LEU A 393 9.789 7.914 1.337 1.00 0.17 C ATOM 862 O LEU A 393 10.735 8.124 0.597 1.00 0.18 O ATOM 863 CB LEU A 393 7.749 6.941 0.437 1.00 0.16 C ATOM 864 CG LEU A 393 6.245 6.994 0.388 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.769 8.055 -0.580 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.712 5.661 -0.031 1.00 0.24 C ATOM 0 H LEU A 393 8.167 8.687 -1.072 1.00 0.15 H new ATOM 0 HA LEU A 393 7.868 8.616 1.754 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.122 6.701 -0.559 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.048 6.125 1.095 1.00 0.16 H new ATOM 0 HG LEU A 393 5.878 7.247 1.383 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.679 8.071 -0.595 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.142 9.029 -0.264 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.142 7.830 -1.579 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.623 5.699 -0.066 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.099 5.409 -1.018 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.025 4.902 0.686 1.00 0.24 H new ATOM 878 N LYS A 394 9.892 7.474 2.547 1.00 0.20 N ATOM 879 CA LYS A 394 11.115 7.149 3.126 1.00 0.24 C ATOM 880 C LYS A 394 10.902 5.992 4.036 1.00 0.30 C ATOM 881 O LYS A 394 9.783 5.486 4.133 1.00 0.38 O ATOM 882 CB LYS A 394 11.661 8.333 3.846 1.00 0.29 C ATOM 883 CG LYS A 394 12.486 9.115 2.923 1.00 0.29 C ATOM 884 CD LYS A 394 12.081 10.539 2.852 1.00 0.61 C ATOM 885 CE LYS A 394 12.618 11.296 4.033 1.00 0.52 C ATOM 886 NZ LYS A 394 12.362 12.756 3.933 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.092 7.333 3.164 1.00 0.20 H new ATOM 0 HA LYS A 394 11.847 6.869 2.368 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.847 8.945 4.234 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.255 8.012 4.702 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.529 9.054 3.235 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.425 8.675 1.928 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.452 10.983 1.928 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.994 10.614 2.828 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.162 10.912 4.945 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.691 11.123 4.115 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.751 13.235 4.770 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.818 13.131 3.077 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.337 12.926 3.882 1.00 0.67 H new ATOM 1015 N GLU A 404 13.956 5.879 0.297 1.00 0.28 N ATOM 1016 CA GLU A 404 12.942 6.741 -0.290 1.00 0.24 C ATOM 1017 C GLU A 404 12.160 6.029 -1.370 1.00 0.24 C ATOM 1018 O GLU A 404 12.619 5.070 -1.991 1.00 0.31 O ATOM 1019 CB GLU A 404 13.524 7.999 -0.902 1.00 0.27 C ATOM 1020 CG GLU A 404 13.833 9.101 0.069 1.00 0.29 C ATOM 1021 CD GLU A 404 14.932 10.032 -0.404 1.00 0.36 C ATOM 1022 OE1 GLU A 404 16.082 9.569 -0.576 1.00 0.62 O1- ATOM 1023 OE2 GLU A 404 14.657 11.233 -0.594 1.00 0.45 O ATOM 0 HA GLU A 404 12.288 7.012 0.539 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.440 7.736 -1.431 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.824 8.379 -1.646 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.928 9.681 0.248 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.125 8.663 1.023 1.00 0.29 H new ATOM 1030 N SER A 405 10.966 6.531 -1.558 1.00 0.20 N ATOM 1031 CA SER A 405 10.050 6.053 -2.537 1.00 0.20 C ATOM 1032 C SER A 405 9.436 7.255 -3.244 1.00 0.18 C ATOM 1033 O SER A 405 8.537 7.913 -2.709 1.00 0.23 O ATOM 1034 CB SER A 405 8.994 5.241 -1.803 1.00 0.26 C ATOM 1035 OG SER A 405 7.683 5.584 -2.198 1.00 1.33 O ATOM 0 H SER A 405 10.602 7.310 -1.010 1.00 0.20 H new ATOM 0 HA SER A 405 10.532 5.426 -3.287 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.161 4.180 -1.989 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.100 5.397 -0.729 1.00 0.26 H new ATOM 0 HG SER A 405 7.593 5.472 -3.167 1.00 1.33 H new ATOM 1041 N PRO A 406 9.956 7.600 -4.424 1.00 0.18 N ATOM 1042 CA PRO A 406 9.392 8.649 -5.243 1.00 0.19 C ATOM 1043 C PRO A 406 8.033 8.242 -5.750 1.00 0.17 C ATOM 1044 O PRO A 406 7.896 7.506 -6.727 1.00 0.17 O ATOM 1045 CB PRO A 406 10.386 8.765 -6.390 1.00 0.20 C ATOM 1046 CG PRO A 406 10.981 7.421 -6.465 1.00 0.19 C ATOM 1047 CD PRO A 406 11.122 7.003 -5.045 1.00 0.18 C ATOM 0 HA PRO A 406 9.248 9.588 -4.709 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.893 9.038 -7.323 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.140 9.527 -6.193 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.343 6.734 -7.021 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.946 7.441 -6.972 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.127 5.918 -4.940 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.049 7.370 -4.604 1.00 0.18 H new ATOM 1055 N VAL A 407 7.049 8.774 -5.111 1.00 0.17 N ATOM 1056 CA VAL A 407 5.709 8.432 -5.341 1.00 0.17 C ATOM 1057 C VAL A 407 4.967 9.620 -5.913 1.00 0.19 C ATOM 1058 O VAL A 407 5.451 10.750 -5.928 1.00 0.30 O ATOM 1059 CB VAL A 407 5.164 7.962 -3.989 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.912 8.693 -3.602 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.023 6.448 -3.963 1.00 0.23 C ATOM 0 H VAL A 407 7.172 9.484 -4.389 1.00 0.17 H new ATOM 0 HA VAL A 407 5.588 7.637 -6.077 1.00 0.17 H new ATOM 0 HB VAL A 407 5.890 8.218 -3.217 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.561 8.328 -2.637 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.121 9.760 -3.532 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.143 8.523 -4.356 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.634 6.135 -2.994 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.336 6.133 -4.748 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.998 5.989 -4.128 1.00 0.23 H new ATOM 1071 N ASN A 408 3.842 9.308 -6.460 1.00 0.19 N ATOM 1072 CA ASN A 408 2.989 10.228 -7.139 1.00 0.21 C ATOM 1073 C ASN A 408 1.726 10.315 -6.343 1.00 0.19 C ATOM 1074 O ASN A 408 1.094 11.362 -6.223 1.00 0.26 O ATOM 1075 CB ASN A 408 2.748 9.617 -8.495 1.00 0.34 C ATOM 1076 CG ASN A 408 4.051 9.325 -9.169 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.581 10.109 -9.957 1.00 1.84 O ATOM 1078 ND2 ASN A 408 4.572 8.173 -8.835 1.00 1.01 N ATOM 0 H ASN A 408 3.472 8.358 -6.446 1.00 0.19 H new ATOM 0 HA ASN A 408 3.400 11.232 -7.249 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.170 8.699 -8.391 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.157 10.297 -9.109 1.00 0.34 H new ATOM 0 HD21 ASN A 408 5.465 7.882 -9.233 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.086 7.565 -8.176 1.00 1.01 H new ATOM 1085 N TYR A 409 1.406 9.175 -5.768 1.00 0.15 N ATOM 1086 CA TYR A 409 0.263 9.043 -4.877 1.00 0.15 C ATOM 1087 C TYR A 409 0.630 8.233 -3.654 1.00 0.14 C ATOM 1088 O TYR A 409 0.966 7.054 -3.746 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.924 8.410 -5.577 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.358 9.177 -6.793 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.819 10.475 -6.668 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.280 8.624 -8.062 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.198 11.206 -7.765 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.655 9.349 -9.172 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.116 10.641 -9.020 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.490 11.367 -10.128 1.00 0.41 O ATOM 0 H TYR A 409 1.929 8.310 -5.903 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.023 10.048 -4.568 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.668 7.391 -5.868 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.758 8.342 -4.879 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.882 10.922 -5.687 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.921 7.613 -8.182 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.558 12.217 -7.647 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.589 8.909 -10.156 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.153 10.927 -10.936 1.00 0.41 H new ATOM 1106 N TRP A 410 0.563 8.890 -2.523 1.00 0.13 N ATOM 1107 CA TRP A 410 0.894 8.306 -1.238 1.00 0.11 C ATOM 1108 C TRP A 410 -0.272 8.428 -0.300 1.00 0.10 C ATOM 1109 O TRP A 410 -0.907 9.478 -0.193 1.00 0.12 O ATOM 1110 CB TRP A 410 2.102 9.023 -0.632 1.00 0.12 C ATOM 1111 CG TRP A 410 2.521 8.558 0.728 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.899 9.355 1.756 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.633 7.216 1.205 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.214 8.606 2.851 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.069 7.281 2.539 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.401 5.974 0.639 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.279 6.140 3.311 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.614 4.848 1.393 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.051 4.936 2.718 1.00 0.11 C ATOM 0 H TRP A 410 0.271 9.866 -2.464 1.00 0.13 H new ATOM 0 HA TRP A 410 1.132 7.253 -1.387 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.947 8.908 -1.311 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.879 10.089 -0.578 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.945 10.433 1.714 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.510 8.973 3.756 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.057 5.893 -0.382 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.609 6.208 4.337 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.441 3.876 0.955 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.211 4.030 3.283 1.00 0.11 H new ATOM 1130 N MET A 411 -0.548 7.352 0.372 1.00 0.09 N ATOM 1131 CA MET A 411 -1.552 7.350 1.388 1.00 0.10 C ATOM 1132 C MET A 411 -1.074 6.597 2.625 1.00 0.09 C ATOM 1133 O MET A 411 -1.317 5.399 2.762 1.00 0.10 O ATOM 1134 CB MET A 411 -2.801 6.733 0.822 1.00 0.12 C ATOM 1135 CG MET A 411 -3.840 7.755 0.430 1.00 0.14 C ATOM 1136 SD MET A 411 -4.732 7.261 -1.046 1.00 0.41 S ATOM 1137 CE MET A 411 -5.074 5.560 -0.634 1.00 0.13 C ATOM 0 H MET A 411 -0.085 6.454 0.231 1.00 0.09 H new ATOM 0 HA MET A 411 -1.762 8.373 1.701 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.540 6.135 -0.051 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.229 6.052 1.558 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.543 7.893 1.251 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.358 8.717 0.259 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.517 5.059 -1.495 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.146 5.058 -0.360 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.769 5.521 0.205 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.369 7.287 3.529 1.00 0.09 N ATOM 1148 CA PRO A 412 0.169 6.680 4.753 1.00 0.09 C ATOM 1149 C PRO A 412 -0.921 6.375 5.748 1.00 0.09 C ATOM 1150 O PRO A 412 -1.892 7.122 5.886 1.00 0.09 O ATOM 1151 CB PRO A 412 1.077 7.777 5.301 1.00 0.10 C ATOM 1152 CG PRO A 412 0.440 9.032 4.837 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.038 8.724 3.448 1.00 0.11 C ATOM 0 HA PRO A 412 0.673 5.732 4.564 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.138 7.739 6.389 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.094 7.681 4.921 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.387 9.320 5.486 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.149 9.860 4.838 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.906 9.325 3.176 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.732 8.921 2.702 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.760 5.245 6.407 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.788 4.702 7.258 1.00 0.10 C ATOM 1163 C ILE A 413 -1.289 4.467 8.669 1.00 0.14 C ATOM 1164 O ILE A 413 -2.079 4.237 9.584 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.303 3.401 6.670 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.232 2.309 6.727 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.719 3.668 5.249 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.559 1.118 5.859 1.00 0.11 C ATOM 0 H ILE A 413 0.089 4.681 6.365 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.596 5.432 7.312 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.154 3.043 7.250 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.276 2.728 6.414 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.112 1.978 7.759 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.094 2.748 4.801 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.504 4.424 5.236 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.861 4.025 4.680 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.763 0.378 5.941 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.500 0.676 6.187 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.651 1.438 4.821 1.00 0.11 H new ATOM 1180 N ASP A 414 0.026 4.462 8.829 1.00 0.15 N ATOM 1181 CA ASP A 414 0.623 4.462 10.160 1.00 0.22 C ATOM 1182 C ASP A 414 1.779 5.446 10.217 1.00 0.21 C ATOM 1183 O ASP A 414 2.199 5.983 9.193 1.00 0.22 O ATOM 1184 CB ASP A 414 1.076 3.060 10.597 1.00 0.31 C ATOM 1185 CG ASP A 414 2.185 2.462 9.753 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.170 3.177 9.492 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 2.050 1.303 9.296 1.00 1.59 O ATOM 0 H ASP A 414 0.697 4.458 8.061 1.00 0.15 H new ATOM 0 HA ASP A 414 -0.147 4.777 10.864 1.00 0.22 H new ATOM 0 HB2 ASP A 414 1.412 3.108 11.633 1.00 0.31 H new ATOM 0 HB3 ASP A 414 0.216 2.390 10.571 1.00 0.31 H new ATOM 1192 N TRP A 415 2.285 5.671 11.421 1.00 0.24 N ATOM 1193 CA TRP A 415 3.351 6.634 11.644 1.00 0.25 C ATOM 1194 C TRP A 415 4.708 5.951 11.738 1.00 0.27 C ATOM 1195 O TRP A 415 5.674 6.544 12.224 1.00 0.31 O ATOM 1196 CB TRP A 415 3.083 7.491 12.882 1.00 0.28 C ATOM 1197 CG TRP A 415 2.037 8.540 12.651 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.249 9.870 12.440 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.619 8.346 12.590 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.050 10.518 12.264 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.037 9.602 12.350 1.00 0.28 C ATOM 1202 CE3 TRP A 415 -0.217 7.235 12.718 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.339 9.773 12.236 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.581 7.413 12.601 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -2.127 8.671 12.363 1.00 0.27 C ATOM 0 H TRP A 415 1.970 5.194 12.266 1.00 0.24 H new ATOM 0 HA TRP A 415 3.371 7.297 10.779 1.00 0.25 H new ATOM 0 HB2 TRP A 415 2.769 6.846 13.703 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.011 7.972 13.192 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.218 10.345 12.415 1.00 0.30 H new ATOM 0 HE1 TRP A 415 0.934 11.518 12.097 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.196 6.255 12.905 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.767 10.747 12.053 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.237 6.560 12.696 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.199 8.775 12.277 1.00 0.27 H new ATOM 1216 N THR A 416 4.791 4.709 11.299 1.00 0.27 N ATOM 1217 CA THR A 416 6.080 4.050 11.220 1.00 0.32 C ATOM 1218 C THR A 416 6.582 4.173 9.806 1.00 0.30 C ATOM 1219 O THR A 416 7.788 4.196 9.541 1.00 0.35 O ATOM 1220 CB THR A 416 6.025 2.571 11.637 1.00 0.40 C ATOM 1221 OG1 THR A 416 4.809 1.951 11.193 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.138 2.444 13.141 1.00 0.44 C ATOM 0 H THR A 416 3.997 4.145 10.997 1.00 0.27 H new ATOM 0 HA THR A 416 6.757 4.537 11.922 1.00 0.32 H new ATOM 0 HB THR A 416 6.866 2.062 11.166 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.525 2.356 10.347 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.098 1.391 13.421 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.084 2.872 13.472 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.314 2.977 13.614 1.00 0.44 H new ATOM 1230 N GLY A 417 5.626 4.291 8.909 1.00 0.24 N ATOM 1231 CA GLY A 417 5.927 4.629 7.552 1.00 0.24 C ATOM 1232 C GLY A 417 5.284 3.718 6.547 1.00 0.19 C ATOM 1233 O GLY A 417 5.811 3.530 5.455 1.00 0.20 O ATOM 0 H GLY A 417 4.634 4.156 9.105 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.603 5.652 7.361 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.008 4.605 7.412 1.00 0.24 H new ATOM 1237 N VAL A 418 4.156 3.137 6.909 1.00 0.15 N ATOM 1238 CA VAL A 418 3.431 2.298 5.982 1.00 0.11 C ATOM 1239 C VAL A 418 2.199 2.985 5.419 1.00 0.09 C ATOM 1240 O VAL A 418 1.579 3.832 6.071 1.00 0.09 O ATOM 1241 CB VAL A 418 3.045 0.955 6.626 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.050 0.180 5.775 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.294 0.144 6.835 1.00 0.17 C ATOM 0 H VAL A 418 3.727 3.231 7.830 1.00 0.15 H new ATOM 0 HA VAL A 418 4.108 2.105 5.150 1.00 0.11 H new ATOM 0 HB VAL A 418 2.559 1.155 7.581 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.806 -0.761 6.267 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.142 0.770 5.649 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.488 -0.025 4.798 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.035 -0.811 7.291 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.779 -0.032 5.875 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.975 0.687 7.491 1.00 0.17 H new ATOM 1253 N GLY A 419 1.861 2.611 4.195 1.00 0.10 N ATOM 1254 CA GLY A 419 0.649 3.097 3.569 1.00 0.08 C ATOM 1255 C GLY A 419 0.457 2.520 2.190 1.00 0.08 C ATOM 1256 O GLY A 419 1.112 1.538 1.827 1.00 0.09 O ATOM 0 H GLY A 419 2.410 1.973 3.619 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.208 2.842 4.192 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.684 4.185 3.506 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.426 3.127 1.411 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.635 2.715 0.053 1.00 0.09 C ATOM 1262 C ILE A 420 0.052 3.711 -0.865 1.00 0.07 C ATOM 1263 O ILE A 420 0.012 4.915 -0.614 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.144 2.639 -0.272 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.566 1.205 -0.553 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.483 3.488 -1.460 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.684 0.326 0.668 1.00 0.11 C ATOM 0 H ILE A 420 -1.007 3.910 1.709 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.214 1.720 -0.094 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.682 3.011 0.600 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.527 1.219 -1.067 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.845 0.757 -1.237 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.551 3.416 -1.666 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.223 4.526 -1.252 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.922 3.141 -2.327 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -2.989 -0.676 0.367 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.720 0.275 1.174 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.428 0.744 1.346 1.00 0.11 H new ATOM 1279 N HIS A 421 0.688 3.227 -1.909 1.00 0.07 N ATOM 1280 CA HIS A 421 1.339 4.121 -2.849 1.00 0.07 C ATOM 1281 C HIS A 421 1.358 3.542 -4.235 1.00 0.09 C ATOM 1282 O HIS A 421 1.164 2.348 -4.436 1.00 0.11 O ATOM 1283 CB HIS A 421 2.781 4.425 -2.461 1.00 0.09 C ATOM 1284 CG HIS A 421 3.666 3.232 -2.353 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.223 2.615 -3.443 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.152 2.600 -1.262 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.047 1.657 -2.990 1.00 0.15 C ATOM 1288 NE2 HIS A 421 5.034 1.604 -1.669 1.00 0.15 N ATOM 0 H HIS A 421 0.770 2.234 -2.129 1.00 0.07 H new ATOM 0 HA HIS A 421 0.754 5.040 -2.826 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.204 5.108 -3.198 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.782 4.948 -1.505 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.897 2.831 -0.238 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.642 1.014 -3.622 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.561 0.966 -1.073 1.00 0.15 H new ATOM 1296 N ASP A 422 1.627 4.414 -5.179 1.00 0.11 N ATOM 1297 CA ASP A 422 1.840 4.044 -6.533 1.00 0.14 C ATOM 1298 C ASP A 422 3.317 3.802 -6.709 1.00 0.19 C ATOM 1299 O ASP A 422 4.139 4.523 -6.150 1.00 0.29 O ATOM 1300 CB ASP A 422 1.354 5.171 -7.428 1.00 0.20 C ATOM 1301 CG ASP A 422 2.433 6.135 -7.844 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.844 6.962 -7.011 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 2.889 6.050 -9.005 1.00 0.42 O ATOM 0 H ASP A 422 1.702 5.417 -5.010 1.00 0.11 H new ATOM 0 HA ASP A 422 1.292 3.140 -6.799 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.901 4.741 -8.322 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.571 5.722 -6.907 1.00 0.20 H new ATOM 1308 N SER A 423 3.665 2.781 -7.431 1.00 0.15 N ATOM 1309 CA SER A 423 5.055 2.458 -7.570 1.00 0.19 C ATOM 1310 C SER A 423 5.394 2.200 -8.995 1.00 0.15 C ATOM 1311 O SER A 423 5.080 1.168 -9.589 1.00 0.16 O ATOM 1312 CB SER A 423 5.405 1.250 -6.730 1.00 0.26 C ATOM 1313 OG SER A 423 6.790 1.208 -6.499 1.00 1.48 O ATOM 0 H SER A 423 3.020 2.165 -7.926 1.00 0.15 H new ATOM 0 HA SER A 423 5.637 3.311 -7.221 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.871 1.290 -5.781 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.085 0.340 -7.237 1.00 0.26 H new ATOM 0 HG SER A 423 6.959 0.918 -5.578 1.00 1.48 H new ATOM 1319 N ASP A 424 6.041 3.196 -9.516 1.00 0.13 N ATOM 1320 CA ASP A 424 6.464 3.215 -10.881 1.00 0.13 C ATOM 1321 C ASP A 424 7.889 2.692 -11.014 1.00 0.12 C ATOM 1322 O ASP A 424 8.286 2.150 -12.044 1.00 0.15 O ATOM 1323 CB ASP A 424 6.298 4.634 -11.358 1.00 0.15 C ATOM 1324 CG ASP A 424 7.163 5.007 -12.546 1.00 0.25 C ATOM 1325 OD1 ASP A 424 8.342 5.360 -12.342 1.00 0.35 O1- ATOM 1326 OD2 ASP A 424 6.678 4.911 -13.693 1.00 0.34 O ATOM 0 H ASP A 424 6.295 4.035 -8.994 1.00 0.13 H new ATOM 0 HA ASP A 424 5.865 2.552 -11.505 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.253 4.794 -11.622 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.526 5.309 -10.533 1.00 0.15 H new ATOM 1331 N TRP A 425 8.655 2.892 -9.937 1.00 0.12 N ATOM 1332 CA TRP A 425 10.023 2.381 -9.827 1.00 0.14 C ATOM 1333 C TRP A 425 9.994 0.879 -9.641 1.00 0.15 C ATOM 1334 O TRP A 425 10.951 0.175 -9.954 1.00 0.18 O ATOM 1335 CB TRP A 425 10.724 3.016 -8.620 1.00 0.14 C ATOM 1336 CG TRP A 425 10.248 2.536 -7.294 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.627 1.423 -6.621 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.316 3.202 -6.476 1.00 0.12 C ATOM 1339 NE1 TRP A 425 9.967 1.352 -5.417 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.155 2.445 -5.309 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.601 4.372 -6.633 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.295 2.835 -4.296 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.762 4.764 -5.636 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.606 4.001 -4.475 1.00 0.15 C ATOM 0 H TRP A 425 8.343 3.413 -9.117 1.00 0.12 H new ATOM 0 HA TRP A 425 10.565 2.631 -10.739 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.794 2.823 -8.697 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.591 4.097 -8.668 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.343 0.698 -6.978 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.067 0.611 -4.724 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.705 4.965 -7.530 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.174 2.242 -3.402 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.205 5.683 -5.744 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.928 4.340 -3.705 1.00 0.15 H new ATOM 1355 N GLN A 426 8.895 0.424 -9.066 1.00 0.15 N ATOM 1356 CA GLN A 426 8.698 -0.980 -8.718 1.00 0.17 C ATOM 1357 C GLN A 426 7.532 -1.536 -9.473 1.00 0.18 C ATOM 1358 O GLN A 426 6.422 -1.684 -8.969 1.00 0.28 O ATOM 1359 CB GLN A 426 8.411 -1.063 -7.265 1.00 0.18 C ATOM 1360 CG GLN A 426 9.527 -1.643 -6.425 1.00 0.58 C ATOM 1361 CD GLN A 426 9.167 -2.980 -5.819 1.00 0.63 C ATOM 1362 OE1 GLN A 426 9.613 -3.314 -4.729 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.357 -3.762 -6.516 1.00 0.22 N ATOM 0 H GLN A 426 8.104 1.021 -8.823 1.00 0.15 H new ATOM 0 HA GLN A 426 9.592 -1.550 -8.970 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.182 -0.063 -6.897 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.516 -1.668 -7.121 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.419 -1.757 -7.041 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.778 -0.943 -5.628 1.00 0.58 H new ATOM 0 HE21 GLN A 426 8.003 -3.452 -7.421 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.087 -4.674 -6.148 1.00 0.22 H new ATOM 1372 N PRO A 427 7.842 -1.879 -10.690 1.00 0.16 N ATOM 1373 CA PRO A 427 6.900 -2.117 -11.746 1.00 0.18 C ATOM 1374 C PRO A 427 6.323 -3.517 -11.763 1.00 0.16 C ATOM 1375 O PRO A 427 5.655 -3.908 -12.725 1.00 0.18 O ATOM 1376 CB PRO A 427 7.787 -1.901 -12.950 1.00 0.23 C ATOM 1377 CG PRO A 427 9.041 -2.522 -12.523 1.00 0.23 C ATOM 1378 CD PRO A 427 9.208 -2.017 -11.153 1.00 0.19 C ATOM 0 HA PRO A 427 6.015 -1.485 -11.672 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.382 -2.374 -13.845 1.00 0.23 H new ATOM 0 HB3 PRO A 427 7.913 -0.843 -13.178 1.00 0.23 H new ATOM 0 HG2 PRO A 427 8.982 -3.610 -12.548 1.00 0.23 H new ATOM 0 HG3 PRO A 427 9.874 -2.233 -13.164 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.776 -2.711 -10.533 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.739 -1.065 -11.135 1.00 0.19 H new ATOM 1386 N GLU A 428 6.613 -4.275 -10.724 1.00 0.14 N ATOM 1387 CA GLU A 428 6.095 -5.617 -10.599 1.00 0.14 C ATOM 1388 C GLU A 428 5.167 -5.682 -9.408 1.00 0.12 C ATOM 1389 O GLU A 428 5.345 -4.956 -8.440 1.00 0.15 O ATOM 1390 CB GLU A 428 7.221 -6.609 -10.407 1.00 0.17 C ATOM 1391 CG GLU A 428 6.953 -7.961 -10.985 1.00 0.22 C ATOM 1392 CD GLU A 428 8.190 -8.620 -11.555 1.00 0.64 C ATOM 1393 OE1 GLU A 428 9.065 -9.034 -10.768 1.00 0.98 O ATOM 1394 OE2 GLU A 428 8.289 -8.732 -12.794 1.00 1.10 O1- ATOM 0 H GLU A 428 7.209 -3.979 -9.951 1.00 0.14 H new ATOM 0 HA GLU A 428 5.556 -5.871 -11.512 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.127 -6.206 -10.860 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.419 -6.715 -9.340 1.00 0.17 H new ATOM 0 HG2 GLU A 428 6.531 -8.603 -10.212 1.00 0.22 H new ATOM 0 HG3 GLU A 428 6.202 -7.871 -11.770 1.00 0.22 H new ATOM 1401 N TYR A 429 4.200 -6.570 -9.505 1.00 0.11 N ATOM 1402 CA TYR A 429 3.092 -6.694 -8.566 1.00 0.10 C ATOM 1403 C TYR A 429 2.508 -8.072 -8.705 1.00 0.10 C ATOM 1404 O TYR A 429 2.169 -8.497 -9.812 1.00 0.14 O ATOM 1405 CB TYR A 429 1.969 -5.742 -8.908 1.00 0.13 C ATOM 1406 CG TYR A 429 2.371 -4.490 -9.640 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.760 -3.360 -8.940 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.366 -4.442 -11.024 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.138 -2.209 -9.604 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.741 -3.300 -11.697 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.127 -2.184 -10.983 1.00 0.30 C ATOM 1412 OH TYR A 429 3.506 -1.045 -11.651 1.00 0.38 O ATOM 0 H TYR A 429 4.157 -7.251 -10.263 1.00 0.11 H new ATOM 0 HA TYR A 429 3.477 -6.485 -7.568 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.238 -6.276 -9.515 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.468 -5.455 -7.984 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.768 -3.379 -7.860 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.063 -5.314 -11.585 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.440 -1.334 -9.047 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.733 -3.278 -12.777 1.00 0.29 H new ATOM 0 HH TYR A 429 3.442 -1.196 -12.617 1.00 0.38 H new ATOM 1422 N GLY A 430 2.422 -8.784 -7.624 1.00 0.10 N ATOM 1423 CA GLY A 430 1.861 -10.101 -7.693 1.00 0.12 C ATOM 1424 C GLY A 430 2.484 -11.010 -6.684 1.00 0.13 C ATOM 1425 O GLY A 430 3.226 -10.533 -5.832 1.00 0.13 O ATOM 0 H GLY A 430 2.727 -8.484 -6.698 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.785 -10.050 -7.524 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.008 -10.509 -8.693 1.00 0.12 H new ATOM 1429 N GLY A 431 2.231 -12.317 -6.843 1.00 0.16 N ATOM 1430 CA GLY A 431 2.840 -13.358 -6.013 1.00 0.20 C ATOM 1431 C GLY A 431 4.213 -12.986 -5.504 1.00 0.17 C ATOM 1432 O GLY A 431 4.964 -12.302 -6.202 1.00 0.16 O ATOM 0 H GLY A 431 1.596 -12.680 -7.554 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.188 -13.564 -5.164 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.911 -14.279 -6.591 1.00 0.20 H new ATOM 1436 N ASP A 432 4.612 -13.569 -4.383 1.00 0.18 N ATOM 1437 CA ASP A 432 5.470 -12.874 -3.436 1.00 0.18 C ATOM 1438 C ASP A 432 6.725 -12.374 -4.074 1.00 0.18 C ATOM 1439 O ASP A 432 7.704 -13.083 -4.308 1.00 0.19 O ATOM 1440 CB ASP A 432 5.851 -13.805 -2.299 1.00 0.22 C ATOM 1441 CG ASP A 432 4.681 -14.586 -1.742 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.291 -15.593 -2.359 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.138 -14.180 -0.693 1.00 0.33 O1- ATOM 0 H ASP A 432 4.356 -14.517 -4.108 1.00 0.18 H new ATOM 0 HA ASP A 432 4.904 -12.020 -3.064 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.610 -14.504 -2.651 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.303 -13.221 -1.497 1.00 0.22 H new ATOM 1448 N LEU A 433 6.635 -11.096 -4.321 1.00 0.16 N ATOM 1449 CA LEU A 433 7.676 -10.303 -4.881 1.00 0.15 C ATOM 1450 C LEU A 433 8.414 -9.605 -3.783 1.00 0.14 C ATOM 1451 O LEU A 433 9.601 -9.338 -3.863 1.00 0.15 O ATOM 1452 CB LEU A 433 7.015 -9.330 -5.810 1.00 0.14 C ATOM 1453 CG LEU A 433 6.613 -9.940 -7.135 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.676 -9.014 -7.867 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.847 -10.246 -7.958 1.00 0.18 C ATOM 0 H LEU A 433 5.789 -10.561 -4.125 1.00 0.16 H new ATOM 0 HA LEU A 433 8.405 -10.903 -5.426 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.130 -8.920 -5.324 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.693 -8.497 -5.993 1.00 0.14 H new ATOM 0 HG LEU A 433 6.086 -10.878 -6.959 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.392 -9.462 -8.819 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.783 -8.848 -7.264 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.174 -8.061 -8.048 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.550 -10.685 -8.910 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.401 -9.325 -8.140 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.480 -10.949 -7.417 1.00 0.18 H new ATOM 1467 N TRP A 434 7.643 -9.316 -2.744 1.00 0.14 N ATOM 1468 CA TRP A 434 8.097 -8.544 -1.608 1.00 0.14 C ATOM 1469 C TRP A 434 9.402 -9.068 -1.058 1.00 0.17 C ATOM 1470 O TRP A 434 10.225 -8.311 -0.560 1.00 0.22 O ATOM 1471 CB TRP A 434 7.018 -8.504 -0.523 1.00 0.15 C ATOM 1472 CG TRP A 434 6.465 -9.840 -0.098 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.620 -10.641 -0.804 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.671 -10.498 1.157 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.321 -11.769 -0.077 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.954 -11.699 1.128 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.402 -10.194 2.294 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.951 -12.588 2.196 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.398 -11.070 3.358 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.677 -12.258 3.302 1.00 0.19 C ATOM 0 H TRP A 434 6.672 -9.618 -2.671 1.00 0.14 H new ATOM 0 HA TRP A 434 8.281 -7.526 -1.951 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.431 -8.007 0.355 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.193 -7.888 -0.880 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.240 -10.422 -1.791 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.723 -12.534 -0.389 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.971 -9.277 2.346 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.392 -13.511 2.151 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.962 -10.831 4.247 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.692 -12.930 4.148 1.00 0.19 H new ATOM 1491 N LYS A 435 9.583 -10.374 -1.198 1.00 0.17 N ATOM 1492 CA LYS A 435 10.743 -11.057 -0.690 1.00 0.19 C ATOM 1493 C LYS A 435 12.006 -10.659 -1.390 1.00 0.20 C ATOM 1494 O LYS A 435 13.101 -10.824 -0.859 1.00 0.22 O ATOM 1495 CB LYS A 435 10.535 -12.513 -0.865 1.00 0.20 C ATOM 1496 CG LYS A 435 9.448 -12.990 0.010 1.00 0.22 C ATOM 1497 CD LYS A 435 9.361 -14.465 -0.043 1.00 0.26 C ATOM 1498 CE LYS A 435 8.126 -14.890 0.657 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.303 -16.152 1.422 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.918 -10.985 -1.672 1.00 0.17 H new ATOM 0 HA LYS A 435 10.859 -10.786 0.359 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.293 -12.729 -1.906 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.456 -13.048 -0.634 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.627 -12.665 1.035 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.500 -12.551 -0.302 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.346 -14.806 -1.078 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.236 -14.913 0.428 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.809 -14.100 1.337 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.327 -15.022 -0.073 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.409 -16.402 1.891 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.579 -16.916 0.772 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.045 -16.022 2.139 1.00 0.64 H new ATOM 1513 N THR A 436 11.849 -10.152 -2.577 1.00 0.19 N ATOM 1514 CA THR A 436 12.977 -9.799 -3.388 1.00 0.21 C ATOM 1515 C THR A 436 12.975 -8.309 -3.660 1.00 0.19 C ATOM 1516 O THR A 436 14.011 -7.641 -3.632 1.00 0.23 O ATOM 1517 CB THR A 436 12.924 -10.567 -4.716 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.762 -10.187 -5.464 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.867 -12.055 -4.445 1.00 0.25 C ATOM 0 H THR A 436 10.942 -9.972 -3.008 1.00 0.19 H new ATOM 0 HA THR A 436 13.891 -10.062 -2.856 1.00 0.21 H new ATOM 0 HB THR A 436 13.819 -10.328 -5.290 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.024 -9.998 -4.848 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.829 -12.596 -5.391 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.754 -12.358 -3.889 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.976 -12.284 -3.860 1.00 0.25 H new ATOM 1527 N ARG A 437 11.777 -7.793 -3.875 1.00 0.16 N ATOM 1528 CA ARG A 437 11.591 -6.427 -4.320 1.00 0.15 C ATOM 1529 C ARG A 437 11.698 -5.439 -3.176 1.00 0.17 C ATOM 1530 O ARG A 437 11.873 -4.241 -3.381 1.00 0.20 O ATOM 1531 CB ARG A 437 10.248 -6.321 -4.994 1.00 0.14 C ATOM 1532 CG ARG A 437 10.047 -7.352 -6.056 1.00 0.15 C ATOM 1533 CD ARG A 437 9.245 -6.804 -7.206 1.00 0.17 C ATOM 1534 NE ARG A 437 9.949 -5.703 -7.866 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.489 -5.765 -9.085 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.398 -6.868 -9.815 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.127 -4.715 -9.575 1.00 0.36 N ATOM 0 H ARG A 437 10.908 -8.311 -3.745 1.00 0.16 H new ATOM 0 HA ARG A 437 12.384 -6.174 -5.024 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.462 -6.421 -4.245 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.145 -5.329 -5.434 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.015 -7.698 -6.418 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.536 -8.217 -5.634 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.049 -7.598 -7.927 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.277 -6.456 -6.845 1.00 0.17 H new ATOM 0 HE ARG A 437 10.033 -4.823 -7.356 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.910 -7.685 -9.447 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.816 -6.900 -10.745 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.205 -3.862 -9.022 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.541 -4.759 -10.506 1.00 0.36 H new ATOM 1551 N GLY A 438 11.620 -5.964 -1.977 1.00 0.16 N ATOM 1552 CA GLY A 438 12.125 -5.247 -0.819 1.00 0.17 C ATOM 1553 C GLY A 438 11.305 -4.044 -0.379 1.00 0.17 C ATOM 1554 O GLY A 438 11.873 -3.027 0.020 1.00 0.21 O ATOM 0 H GLY A 438 11.216 -6.878 -1.773 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.191 -5.944 0.017 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.139 -4.912 -1.036 1.00 0.17 H new ATOM 1558 N SER A 439 9.987 -4.164 -0.410 1.00 0.15 N ATOM 1559 CA SER A 439 9.103 -3.108 0.066 1.00 0.16 C ATOM 1560 C SER A 439 9.024 -3.180 1.591 1.00 0.14 C ATOM 1561 O SER A 439 8.789 -4.233 2.136 1.00 0.20 O ATOM 1562 CB SER A 439 7.729 -3.360 -0.533 1.00 0.22 C ATOM 1563 OG SER A 439 7.863 -3.847 -1.857 1.00 0.47 O ATOM 0 H SER A 439 9.501 -4.989 -0.763 1.00 0.15 H new ATOM 0 HA SER A 439 9.469 -2.123 -0.225 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.184 -4.081 0.076 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.147 -2.438 -0.532 1.00 0.22 H new ATOM 0 HG SER A 439 8.469 -3.264 -2.360 1.00 0.47 H new ATOM 1569 N HIS A 440 9.202 -2.078 2.283 1.00 0.14 N ATOM 1570 CA HIS A 440 9.370 -2.121 3.735 1.00 0.16 C ATOM 1571 C HIS A 440 8.088 -1.776 4.452 1.00 0.16 C ATOM 1572 O HIS A 440 7.999 -0.750 5.122 1.00 0.21 O ATOM 1573 CB HIS A 440 10.473 -1.171 4.183 1.00 0.22 C ATOM 1574 CG HIS A 440 11.840 -1.628 3.841 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.349 -1.571 2.576 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.820 -2.139 4.618 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.574 -2.024 2.582 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.892 -2.379 3.807 1.00 0.38 N ATOM 0 H HIS A 440 9.236 -1.143 1.877 1.00 0.14 H new ATOM 0 HA HIS A 440 9.648 -3.143 3.994 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.304 -0.195 3.729 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.406 -1.037 5.263 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.766 -2.323 5.681 1.00 0.30 H new ATOM 0 HE1 HIS A 440 14.221 -2.095 1.720 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.788 -2.768 4.102 1.00 0.38 H new ATOM 1587 N GLY A 441 7.097 -2.629 4.295 1.00 0.15 N ATOM 1588 CA GLY A 441 5.848 -2.432 4.973 1.00 0.16 C ATOM 1589 C GLY A 441 4.865 -1.713 4.096 1.00 0.15 C ATOM 1590 O GLY A 441 3.670 -1.760 4.324 1.00 0.18 O ATOM 0 H GLY A 441 7.139 -3.460 3.705 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.437 -3.396 5.271 1.00 0.16 H new ATOM 0 HA3 GLY A 441 6.012 -1.859 5.886 1.00 0.16 H new ATOM 1594 N CYS A 442 5.360 -1.058 3.071 1.00 0.14 N ATOM 1595 CA CYS A 442 4.478 -0.341 2.179 1.00 0.16 C ATOM 1596 C CYS A 442 4.021 -1.222 1.035 1.00 0.18 C ATOM 1597 O CYS A 442 4.647 -2.242 0.731 1.00 0.28 O ATOM 1598 CB CYS A 442 5.098 0.941 1.655 1.00 0.20 C ATOM 1599 SG CYS A 442 5.089 2.305 2.834 1.00 0.83 S ATOM 0 H CYS A 442 6.351 -1.006 2.836 1.00 0.14 H new ATOM 0 HA CYS A 442 3.605 -0.057 2.767 1.00 0.16 H new ATOM 0 HB2 CYS A 442 6.127 0.739 1.359 1.00 0.20 H new ATOM 0 HB3 CYS A 442 4.563 1.249 0.757 1.00 0.20 H new ATOM 0 HG CYS A 442 4.363 3.277 2.367 1.00 0.83 H new ATOM 1605 N ILE A 443 2.921 -0.835 0.426 1.00 0.13 N ATOM 1606 CA ILE A 443 2.294 -1.610 -0.612 1.00 0.12 C ATOM 1607 C ILE A 443 2.497 -0.951 -1.968 1.00 0.12 C ATOM 1608 O ILE A 443 2.114 0.199 -2.181 1.00 0.15 O ATOM 1609 CB ILE A 443 0.792 -1.789 -0.306 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.596 -2.830 0.809 1.00 0.10 C ATOM 1611 CG2 ILE A 443 0.025 -2.196 -1.560 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.313 -2.546 2.109 1.00 0.10 C ATOM 0 H ILE A 443 2.435 0.035 0.643 1.00 0.13 H new ATOM 0 HA ILE A 443 2.759 -2.595 -0.644 1.00 0.12 H new ATOM 0 HB ILE A 443 0.396 -0.833 0.035 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.471 -2.916 1.016 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.928 -3.799 0.437 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.031 -2.316 -1.318 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.137 -1.424 -2.322 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.420 -3.139 -1.938 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.104 -3.344 2.822 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.387 -2.493 1.928 1.00 0.10 H new ATOM 0 HD13 ILE A 443 0.966 -1.596 2.516 1.00 0.10 H new ATOM 1624 N ASN A 444 3.133 -1.677 -2.867 1.00 0.14 N ATOM 1625 CA ASN A 444 3.422 -1.159 -4.193 1.00 0.16 C ATOM 1626 C ASN A 444 2.237 -1.328 -5.130 1.00 0.11 C ATOM 1627 O ASN A 444 2.094 -2.361 -5.782 1.00 0.12 O ATOM 1628 CB ASN A 444 4.666 -1.828 -4.778 1.00 0.30 C ATOM 1629 CG ASN A 444 5.946 -1.361 -4.107 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.621 -0.456 -4.578 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.287 -1.963 -2.993 1.00 1.77 N ATOM 0 H ASN A 444 3.461 -2.629 -2.704 1.00 0.14 H new ATOM 0 HA ASN A 444 3.616 -0.091 -4.091 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.577 -2.909 -4.672 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.721 -1.616 -5.846 1.00 0.30 H new ATOM 0 HD21 ASN A 444 7.133 -1.679 -2.498 1.00 1.77 H new ATOM 0 HD22 ASN A 444 5.707 -2.715 -2.621 1.00 1.77 H new ATOM 1638 N THR A 445 1.398 -0.311 -5.189 1.00 0.11 N ATOM 1639 CA THR A 445 0.259 -0.294 -6.077 1.00 0.10 C ATOM 1640 C THR A 445 0.662 0.314 -7.404 1.00 0.11 C ATOM 1641 O THR A 445 1.403 1.292 -7.461 1.00 0.14 O ATOM 1642 CB THR A 445 -0.881 0.512 -5.431 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.149 -0.017 -4.130 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.135 0.465 -6.278 1.00 0.14 C ATOM 0 H THR A 445 1.491 0.529 -4.618 1.00 0.11 H new ATOM 0 HA THR A 445 -0.090 -1.311 -6.253 1.00 0.10 H new ATOM 0 HB THR A 445 -0.572 1.554 -5.353 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.092 0.128 -3.906 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.922 1.044 -5.795 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.926 0.887 -7.261 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.461 -0.569 -6.389 1.00 0.14 H new ATOM 1652 N PRO A 446 0.214 -0.301 -8.490 1.00 0.09 N ATOM 1653 CA PRO A 446 0.534 0.141 -9.831 1.00 0.08 C ATOM 1654 C PRO A 446 0.131 1.567 -10.088 1.00 0.09 C ATOM 1655 O PRO A 446 -0.982 1.948 -9.768 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.277 -0.767 -10.720 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.513 -1.978 -9.895 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.634 -1.492 -8.496 1.00 0.09 C ATOM 0 HA PRO A 446 1.609 0.099 -10.004 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.216 -0.299 -11.016 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.261 -1.009 -11.637 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.419 -2.496 -10.210 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.310 -2.686 -9.994 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.666 -1.254 -8.239 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.290 -2.237 -7.778 1.00 0.09 H new ATOM 1666 N PRO A 447 1.019 2.362 -10.649 1.00 0.09 N ATOM 1667 CA PRO A 447 0.855 3.818 -10.748 1.00 0.09 C ATOM 1668 C PRO A 447 -0.482 4.207 -11.322 1.00 0.09 C ATOM 1669 O PRO A 447 -1.161 5.109 -10.812 1.00 0.16 O ATOM 1670 CB PRO A 447 2.006 4.179 -11.675 1.00 0.10 C ATOM 1671 CG PRO A 447 3.031 3.216 -11.233 1.00 0.10 C ATOM 1672 CD PRO A 447 2.266 1.932 -11.276 1.00 0.09 C ATOM 0 HA PRO A 447 0.875 4.334 -9.788 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.746 4.052 -12.726 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.329 5.213 -11.550 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.895 3.202 -11.897 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.401 3.440 -10.233 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.118 1.568 -12.293 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.759 1.134 -10.721 1.00 0.09 H new ATOM 1680 N SER A 448 -0.891 3.460 -12.319 1.00 0.08 N ATOM 1681 CA SER A 448 -2.120 3.724 -12.994 1.00 0.09 C ATOM 1682 C SER A 448 -3.299 3.323 -12.113 1.00 0.09 C ATOM 1683 O SER A 448 -4.298 4.034 -12.033 1.00 0.11 O ATOM 1684 CB SER A 448 -2.164 2.979 -14.316 1.00 0.11 C ATOM 1685 OG SER A 448 -1.836 1.608 -14.146 1.00 1.17 O ATOM 0 H SER A 448 -0.376 2.656 -12.678 1.00 0.08 H new ATOM 0 HA SER A 448 -2.188 4.792 -13.199 1.00 0.09 H new ATOM 0 HB2 SER A 448 -3.159 3.066 -14.752 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.467 3.438 -15.018 1.00 0.11 H new ATOM 0 HG SER A 448 -1.874 1.153 -15.013 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.162 2.188 -11.427 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.226 1.688 -10.572 1.00 0.09 C ATOM 1693 C VAL A 449 -4.287 2.458 -9.254 1.00 0.10 C ATOM 1694 O VAL A 449 -5.346 2.615 -8.654 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.044 0.199 -10.269 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.167 -0.284 -9.366 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -3.999 -0.620 -11.549 1.00 0.10 C ATOM 0 H VAL A 449 -2.326 1.603 -11.450 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.160 1.832 -11.116 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.091 0.065 -9.756 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.032 -1.345 -9.154 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.150 0.278 -8.432 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.125 -0.132 -9.864 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.869 -1.674 -11.302 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.931 -0.488 -12.098 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.164 -0.286 -12.165 1.00 0.10 H new ATOM 1707 N MET A 450 -3.148 2.947 -8.809 1.00 0.10 N ATOM 1708 CA MET A 450 -3.065 3.730 -7.606 1.00 0.11 C ATOM 1709 C MET A 450 -3.765 5.064 -7.806 1.00 0.10 C ATOM 1710 O MET A 450 -4.126 5.741 -6.869 1.00 0.14 O ATOM 1711 CB MET A 450 -1.604 3.916 -7.293 1.00 0.13 C ATOM 1712 CG MET A 450 -1.374 4.652 -6.026 1.00 0.13 C ATOM 1713 SD MET A 450 -2.427 4.085 -4.705 1.00 0.46 S ATOM 1714 CE MET A 450 -2.452 5.585 -3.753 1.00 0.10 C ATOM 0 H MET A 450 -2.253 2.809 -9.278 1.00 0.10 H new ATOM 0 HA MET A 450 -3.560 3.230 -6.773 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.123 2.940 -7.232 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.128 4.455 -8.112 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.331 4.540 -5.729 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.545 5.716 -6.191 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.419 5.688 -3.261 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.664 5.551 -3.000 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.288 6.437 -4.412 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.930 5.414 -9.065 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.623 6.609 -9.493 1.00 0.11 C ATOM 1726 C LYS A 451 -6.112 6.412 -9.445 1.00 0.10 C ATOM 1727 O LYS A 451 -6.898 7.356 -9.410 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.190 6.835 -10.909 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.368 8.238 -11.378 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.312 8.637 -12.369 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.976 7.483 -13.250 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.647 7.890 -14.639 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.574 4.857 -9.842 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.390 7.454 -8.846 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.140 6.560 -11.006 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.755 6.170 -11.562 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.352 8.346 -11.834 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.337 8.913 -10.523 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.665 9.474 -12.971 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.419 8.976 -11.844 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.130 6.943 -12.825 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.818 6.791 -13.270 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.422 7.046 -15.204 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.462 8.381 -15.059 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.826 8.528 -14.628 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.461 5.154 -9.501 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.815 4.704 -9.417 1.00 0.08 C ATOM 1748 C GLU A 452 -8.186 4.691 -7.989 1.00 0.07 C ATOM 1749 O GLU A 452 -9.233 5.158 -7.580 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.885 3.297 -9.958 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.268 3.151 -11.313 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.179 3.596 -12.433 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.979 2.772 -12.920 1.00 0.38 O ATOM 1754 OE2 GLU A 452 -8.095 4.774 -12.838 1.00 0.31 O1- ATOM 0 H GLU A 452 -5.787 4.396 -9.610 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.485 5.350 -9.985 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.383 2.623 -9.264 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.928 2.986 -10.006 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.347 3.732 -11.350 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.993 2.108 -11.470 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.279 4.107 -7.258 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.342 4.040 -5.858 1.00 0.05 C ATOM 1763 C LEU A 453 -7.273 5.392 -5.223 1.00 0.05 C ATOM 1764 O LEU A 453 -8.206 5.820 -4.603 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.180 3.284 -5.339 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.294 2.946 -3.894 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.449 2.010 -3.694 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.004 2.357 -3.398 1.00 0.06 C ATOM 0 H LEU A 453 -6.454 3.654 -7.652 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.291 3.562 -5.617 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.069 2.364 -5.912 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.274 3.870 -5.497 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.483 3.849 -3.313 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.536 1.760 -2.637 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.368 2.489 -4.030 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.283 1.099 -4.270 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.098 2.113 -2.340 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.778 1.451 -3.960 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.199 3.079 -3.534 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.137 6.053 -5.340 1.00 0.07 N ATOM 1781 CA PHE A 454 -6.005 7.394 -4.812 1.00 0.08 C ATOM 1782 C PHE A 454 -7.182 8.220 -5.314 1.00 0.09 C ATOM 1783 O PHE A 454 -7.631 9.190 -4.700 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.702 8.048 -5.265 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.351 9.266 -4.470 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.690 9.143 -3.264 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.686 10.530 -4.921 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.368 10.252 -2.516 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.367 11.647 -4.182 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.707 11.508 -2.976 1.00 0.29 C ATOM 0 H PHE A 454 -5.300 5.686 -5.792 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.993 7.346 -3.723 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.892 7.323 -5.186 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.785 8.319 -6.317 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.422 8.161 -2.902 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.203 10.642 -5.863 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.853 10.140 -1.574 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.632 12.629 -4.544 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.457 12.382 -2.394 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.670 7.767 -6.465 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.780 8.376 -7.123 1.00 0.11 C ATOM 1802 C GLY A 455 -10.100 8.115 -6.398 1.00 0.10 C ATOM 1803 O GLY A 455 -11.031 8.910 -6.507 1.00 0.13 O ATOM 0 H GLY A 455 -7.290 6.958 -6.957 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.613 9.451 -7.193 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.847 7.997 -8.143 1.00 0.11 H new ATOM 1807 N MET A 456 -10.186 6.979 -5.684 1.00 0.08 N ATOM 1808 CA MET A 456 -11.323 6.684 -4.803 1.00 0.09 C ATOM 1809 C MET A 456 -11.072 7.158 -3.381 1.00 0.10 C ATOM 1810 O MET A 456 -11.915 7.801 -2.756 1.00 0.13 O ATOM 1811 CB MET A 456 -11.602 5.177 -4.740 1.00 0.08 C ATOM 1812 CG MET A 456 -10.429 4.299 -5.032 1.00 0.06 C ATOM 1813 SD MET A 456 -10.882 2.649 -5.562 1.00 0.06 S ATOM 1814 CE MET A 456 -11.579 3.012 -7.147 1.00 0.07 C ATOM 0 H MET A 456 -9.475 6.248 -5.702 1.00 0.08 H new ATOM 0 HA MET A 456 -12.176 7.213 -5.227 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.978 4.935 -3.746 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.397 4.941 -5.448 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.820 4.766 -5.806 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.808 4.227 -4.139 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.783 2.081 -7.676 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.508 3.567 -7.017 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.876 3.611 -7.725 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.904 6.816 -2.885 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.579 6.960 -1.487 1.00 0.10 C ATOM 1826 C VAL A 457 -8.733 8.154 -1.182 1.00 0.17 C ATOM 1827 O VAL A 457 -7.779 8.504 -1.875 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.921 5.685 -0.938 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.024 5.062 -1.982 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.164 5.948 0.355 1.00 0.10 C ATOM 0 H VAL A 457 -9.147 6.427 -3.447 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.531 7.122 -0.982 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.715 4.978 -0.700 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.566 4.160 -1.577 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.614 4.805 -2.862 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.244 5.771 -2.262 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.714 5.020 0.709 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.381 6.685 0.175 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.853 6.328 1.109 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.140 8.743 -0.101 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.559 9.885 0.472 1.00 0.26 C ATOM 1842 C GLU A 458 -8.501 9.639 1.940 1.00 0.15 C ATOM 1843 O GLU A 458 -8.881 8.553 2.384 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.400 11.094 0.161 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.859 10.839 0.384 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.721 12.048 0.103 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -11.798 12.945 0.966 1.00 0.83 O ATOM 1848 OE2 GLU A 458 -12.329 12.110 -0.986 1.00 0.82 O1- ATOM 0 H GLU A 458 -9.943 8.404 0.429 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.561 10.073 0.076 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.079 11.928 0.785 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.239 11.390 -0.875 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.180 10.015 -0.254 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -11.013 10.522 1.415 1.00 0.46 H new ATOM 1855 N LYS A 459 -8.014 10.591 2.696 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.979 10.422 4.098 1.00 0.13 C ATOM 1857 C LYS A 459 -9.295 10.022 4.674 1.00 0.14 C ATOM 1858 O LYS A 459 -10.365 10.165 4.075 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.464 11.639 4.784 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.003 11.747 4.693 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.578 12.928 5.455 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.672 14.138 4.599 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.010 15.325 5.201 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.643 11.477 2.354 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.288 9.599 4.277 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.921 12.525 4.342 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.761 11.617 5.833 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.531 10.849 5.091 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.693 11.836 3.652 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.205 13.047 6.339 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.554 12.797 5.805 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.219 13.928 3.630 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.722 14.367 4.417 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.107 16.139 4.561 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.458 15.547 6.113 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.001 15.121 5.351 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.183 9.525 5.864 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.335 9.071 6.567 1.00 0.19 C ATOM 1879 C GLY A 460 -10.610 7.612 6.329 1.00 0.19 C ATOM 1880 O GLY A 460 -11.085 6.907 7.223 1.00 0.37 O ATOM 0 H GLY A 460 -8.302 9.424 6.369 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.198 9.243 7.635 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.201 9.657 6.258 1.00 0.19 H new ATOM 1884 N THR A 461 -10.296 7.165 5.120 1.00 0.12 N ATOM 1885 CA THR A 461 -10.548 5.815 4.703 1.00 0.10 C ATOM 1886 C THR A 461 -9.555 4.877 5.367 1.00 0.09 C ATOM 1887 O THR A 461 -8.388 5.214 5.550 1.00 0.12 O ATOM 1888 CB THR A 461 -10.438 5.733 3.166 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.581 6.354 2.565 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.295 4.294 2.660 1.00 0.08 C ATOM 0 H THR A 461 -9.856 7.743 4.404 1.00 0.12 H new ATOM 0 HA THR A 461 -11.552 5.514 5.002 1.00 0.10 H new ATOM 0 HB THR A 461 -9.530 6.263 2.878 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.507 6.301 1.589 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.222 4.296 1.572 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.395 3.847 3.083 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.166 3.713 2.964 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.012 3.706 5.778 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.150 2.691 6.304 1.00 0.10 C ATOM 1900 C PRO A 462 -8.350 2.054 5.224 1.00 0.09 C ATOM 1901 O PRO A 462 -8.662 2.142 4.042 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.081 1.639 6.868 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.429 2.201 6.774 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.390 3.261 5.743 1.00 0.07 C ATOM 0 HA PRO A 462 -8.460 3.112 7.036 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -10.006 0.709 6.304 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.826 1.407 7.902 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.150 1.429 6.505 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.743 2.610 7.734 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.664 2.877 4.760 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.081 4.072 5.973 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.337 1.402 5.650 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.535 0.613 4.796 1.00 0.14 C ATOM 1914 C VAL A 463 -6.317 -0.718 5.456 1.00 0.12 C ATOM 1915 O VAL A 463 -6.043 -0.796 6.643 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.193 1.291 4.504 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -4.292 0.356 3.737 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -5.414 2.586 3.745 1.00 1.09 C ATOM 0 H VAL A 463 -7.035 1.401 6.624 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.043 0.484 3.840 1.00 0.14 H new ATOM 0 HB VAL A 463 -4.704 1.532 5.448 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -3.341 0.850 3.536 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -4.116 -0.544 4.326 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -4.767 0.085 2.794 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -4.453 3.058 3.544 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -5.919 2.374 2.802 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -6.030 3.258 4.343 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.518 -1.757 4.715 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.345 -3.078 5.229 1.00 0.06 C ATOM 1930 C LEU A 464 -5.178 -3.733 4.586 1.00 0.06 C ATOM 1931 O LEU A 464 -4.892 -3.502 3.425 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.563 -3.882 4.908 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.141 -4.675 6.046 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.518 -3.747 7.188 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.331 -5.441 5.533 1.00 0.13 C ATOM 0 H LEU A 464 -6.806 -1.716 3.737 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.185 -3.020 6.306 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.332 -3.207 4.532 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.319 -4.569 4.098 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.407 -5.381 6.434 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.936 -4.331 8.008 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.631 -3.218 7.535 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.258 -3.026 6.842 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.766 -6.024 6.345 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.075 -4.743 5.149 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.015 -6.111 4.734 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.485 -4.492 5.375 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.524 -5.430 4.894 1.00 0.06 C ATOM 1949 C VAL A 465 -3.605 -6.652 5.790 1.00 0.08 C ATOM 1950 O VAL A 465 -3.942 -6.520 6.969 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.086 -4.862 4.836 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.046 -3.379 4.474 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.330 -5.120 6.084 1.00 0.07 C ATOM 0 H VAL A 465 -4.574 -4.476 6.391 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.759 -5.685 3.861 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.592 -5.402 4.028 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -1.011 -3.038 4.449 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.500 -3.231 3.494 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.598 -2.807 5.220 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.327 -4.703 5.995 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.844 -4.653 6.924 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.262 -6.195 6.253 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.347 -7.828 5.241 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.489 -9.064 5.995 1.00 0.14 C ATOM 1965 C PHE A 466 -2.824 -10.230 5.275 1.00 0.19 C ATOM 1966 O PHE A 466 -2.334 -11.148 5.963 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.966 -9.355 6.255 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.823 -9.339 5.024 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.789 -10.378 4.104 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.666 -8.275 4.790 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.583 -10.345 2.974 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.461 -8.245 3.672 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.424 -9.274 2.763 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.793 -10.223 4.027 1.00 1.08 O ATOM 0 H PHE A 466 -3.038 -7.953 4.277 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.984 -8.940 6.953 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.054 -10.331 6.732 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.351 -8.619 6.961 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.135 -11.221 4.273 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.702 -7.456 5.493 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.545 -11.154 2.260 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.121 -7.406 3.506 1.00 0.17 H new ATOM 0 HZ PHE A 466 -8.052 -9.244 1.885 1.00 0.19 H new