USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 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 4 THR OG1 : rot -114:sc= 0.659 USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -2.84! USER MOD Set 2.1: A 20 THR OG1 : rot 71:sc= 0.549 USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 MET CE :methyl 163:sc= -4.17! (180deg=-0.961) USER MOD Set 3.2: A 17 CYS SG : rot -109:sc= -3.21 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 6 THR OG1 : rot -2:sc= -0.158 USER MOD Single : A 13 THR OG1 : rot -62:sc= 0.773 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -1.48! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -140:sc= -0.247 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 130:sc= -2.09! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -90:sc= -2.14! USER MOD Single : A 68 SER OG : rot -150:sc= -8.86! USER MOD Single : A 69 SER OG : rot 180:sc= -0.532 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.265 2.351 -2.489 1.00 0.00 N ATOM 2 CA ALA A 1 -17.197 1.667 -1.702 1.00 0.00 C ATOM 3 C ALA A 1 -15.905 1.589 -2.518 1.00 0.00 C ATOM 4 O ALA A 1 -15.517 0.539 -2.978 1.00 0.00 O ATOM 5 CB ALA A 1 -17.742 0.266 -1.434 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.137 2.397 -1.924 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.956 3.315 -2.729 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.447 1.818 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.960 2.198 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.013 -0.304 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.673 0.339 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.930 -0.239 -2.382 1.00 0.00 H new ATOM 13 N THR A 2 -15.230 2.693 -2.677 1.00 0.00 N ATOM 14 CA THR A 2 -13.967 2.721 -3.436 1.00 0.00 C ATOM 15 C THR A 2 -13.132 3.878 -2.922 1.00 0.00 C ATOM 16 O THR A 2 -13.310 5.018 -3.303 1.00 0.00 O ATOM 17 CB THR A 2 -14.350 2.934 -4.894 1.00 0.00 C ATOM 18 OG1 THR A 2 -13.234 3.455 -5.604 1.00 0.00 O ATOM 19 CG2 THR A 2 -15.525 3.910 -4.998 1.00 0.00 C ATOM 0 H THR A 2 -15.516 3.596 -2.299 1.00 0.00 H new ATOM 0 HA THR A 2 -13.388 1.804 -3.328 1.00 0.00 H new ATOM 0 HB THR A 2 -14.648 1.978 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.478 3.591 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.788 4.053 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.383 3.505 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.242 4.868 -4.561 1.00 0.00 H new ATOM 27 N GLN A 3 -12.251 3.590 -2.030 1.00 0.00 N ATOM 28 CA GLN A 3 -11.411 4.672 -1.433 1.00 0.00 C ATOM 29 C GLN A 3 -9.967 4.577 -1.923 1.00 0.00 C ATOM 30 O GLN A 3 -9.514 3.544 -2.374 1.00 0.00 O ATOM 31 CB GLN A 3 -11.468 4.452 0.087 1.00 0.00 C ATOM 32 CG GLN A 3 -12.826 3.865 0.493 1.00 0.00 C ATOM 33 CD GLN A 3 -13.103 4.181 1.964 1.00 0.00 C ATOM 34 OE1 GLN A 3 -14.134 4.732 2.296 1.00 0.00 O ATOM 35 NE2 GLN A 3 -12.220 3.851 2.867 1.00 0.00 N ATOM 0 H GLN A 3 -12.065 2.651 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.778 5.658 -1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.668 3.779 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.304 5.398 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.615 4.281 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.829 2.786 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.354 3.388 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.396 4.056 3.851 1.00 0.00 H new ATOM 44 N THR A 4 -9.243 5.658 -1.834 1.00 0.00 N ATOM 45 CA THR A 4 -7.826 5.651 -2.289 1.00 0.00 C ATOM 46 C THR A 4 -6.959 6.444 -1.307 1.00 0.00 C ATOM 47 O THR A 4 -7.250 7.576 -0.976 1.00 0.00 O ATOM 48 CB THR A 4 -7.846 6.331 -3.659 1.00 0.00 C ATOM 49 OG1 THR A 4 -8.866 5.750 -4.458 1.00 0.00 O ATOM 50 CG2 THR A 4 -6.492 6.147 -4.343 1.00 0.00 C ATOM 0 H THR A 4 -9.574 6.549 -1.464 1.00 0.00 H new ATOM 0 HA THR A 4 -7.411 4.645 -2.342 1.00 0.00 H new ATOM 0 HB THR A 4 -8.044 7.396 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.460 5.279 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.508 6.632 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.710 6.594 -3.729 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.290 5.083 -4.470 1.00 0.00 H new ATOM 58 N VAL A 5 -5.900 5.852 -0.839 1.00 0.00 N ATOM 59 CA VAL A 5 -5.004 6.553 0.124 1.00 0.00 C ATOM 60 C VAL A 5 -3.551 6.378 -0.302 1.00 0.00 C ATOM 61 O VAL A 5 -3.234 5.584 -1.163 1.00 0.00 O ATOM 62 CB VAL A 5 -5.251 5.858 1.461 1.00 0.00 C ATOM 63 CG1 VAL A 5 -6.756 5.771 1.723 1.00 0.00 C ATOM 64 CG2 VAL A 5 -4.659 4.450 1.409 1.00 0.00 C ATOM 0 H VAL A 5 -5.612 4.904 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.200 7.624 0.175 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.779 6.426 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.931 5.275 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.179 6.775 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.232 5.201 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.832 3.947 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.135 3.884 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.587 4.513 1.221 1.00 0.00 H new ATOM 74 N THR A 6 -2.669 7.097 0.315 1.00 0.00 N ATOM 75 CA THR A 6 -1.230 6.967 -0.018 1.00 0.00 C ATOM 76 C THR A 6 -0.547 6.259 1.142 1.00 0.00 C ATOM 77 O THR A 6 -1.077 6.203 2.233 1.00 0.00 O ATOM 78 CB THR A 6 -0.713 8.398 -0.175 1.00 0.00 C ATOM 79 OG1 THR A 6 0.609 8.367 -0.695 1.00 0.00 O ATOM 80 CG2 THR A 6 -0.711 9.096 1.184 1.00 0.00 C ATOM 0 H THR A 6 -2.883 7.777 1.044 1.00 0.00 H new ATOM 0 HA THR A 6 -1.042 6.394 -0.926 1.00 0.00 H new ATOM 0 HB THR A 6 -1.362 8.945 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.895 7.436 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.342 10.115 1.069 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.725 9.120 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.064 8.551 1.872 1.00 0.00 H new ATOM 88 N LEU A 7 0.601 5.694 0.931 1.00 0.00 N ATOM 89 CA LEU A 7 1.254 4.972 2.053 1.00 0.00 C ATOM 90 C LEU A 7 2.731 5.342 2.172 1.00 0.00 C ATOM 91 O LEU A 7 3.418 5.566 1.195 1.00 0.00 O ATOM 92 CB LEU A 7 1.101 3.484 1.710 1.00 0.00 C ATOM 93 CG LEU A 7 0.120 2.824 2.679 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.132 3.680 2.813 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.283 1.443 2.151 1.00 0.00 C ATOM 0 H LEU A 7 1.111 5.698 0.047 1.00 0.00 H new ATOM 0 HA LEU A 7 0.800 5.228 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.744 3.373 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.070 2.988 1.766 1.00 0.00 H new ATOM 0 HG LEU A 7 0.604 2.723 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.826 3.203 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.860 4.665 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.607 3.785 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.982 0.978 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.758 1.551 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.604 0.817 2.055 1.00 0.00 H new ATOM 107 N ALA A 8 3.218 5.379 3.375 1.00 0.00 N ATOM 108 CA ALA A 8 4.659 5.700 3.604 1.00 0.00 C ATOM 109 C ALA A 8 5.322 4.491 4.259 1.00 0.00 C ATOM 110 O ALA A 8 5.163 4.258 5.439 1.00 0.00 O ATOM 111 CB ALA A 8 4.663 6.899 4.553 1.00 0.00 C ATOM 0 H ALA A 8 2.678 5.200 4.222 1.00 0.00 H new ATOM 0 HA ALA A 8 5.200 5.928 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.691 7.191 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.138 7.733 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.162 6.629 5.483 1.00 0.00 H new ATOM 117 N VAL A 9 6.027 3.691 3.507 1.00 0.00 N ATOM 118 CA VAL A 9 6.641 2.473 4.119 1.00 0.00 C ATOM 119 C VAL A 9 8.171 2.574 4.225 1.00 0.00 C ATOM 120 O VAL A 9 8.885 2.000 3.427 1.00 0.00 O ATOM 121 CB VAL A 9 6.229 1.323 3.194 1.00 0.00 C ATOM 122 CG1 VAL A 9 6.662 1.617 1.754 1.00 0.00 C ATOM 123 CG2 VAL A 9 6.890 0.031 3.671 1.00 0.00 C ATOM 0 H VAL A 9 6.204 3.822 2.511 1.00 0.00 H new ATOM 0 HA VAL A 9 6.298 2.332 5.144 1.00 0.00 H new ATOM 0 HB VAL A 9 5.145 1.216 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.363 0.791 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.187 2.536 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.745 1.733 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.599 -0.790 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.974 0.147 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.569 -0.187 4.690 1.00 0.00 H new ATOM 133 N PRO A 10 8.632 3.276 5.236 1.00 0.00 N ATOM 134 CA PRO A 10 10.089 3.420 5.468 1.00 0.00 C ATOM 135 C PRO A 10 10.712 2.077 5.874 1.00 0.00 C ATOM 136 O PRO A 10 11.910 1.973 6.047 1.00 0.00 O ATOM 137 CB PRO A 10 10.145 4.413 6.632 1.00 0.00 C ATOM 138 CG PRO A 10 8.716 4.632 7.159 1.00 0.00 C ATOM 139 CD PRO A 10 7.731 3.969 6.187 1.00 0.00 C ATOM 0 HA PRO A 10 10.638 3.749 4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.786 4.030 7.426 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.576 5.358 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.610 4.204 8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.503 5.698 7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.066 3.272 6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.100 4.703 5.686 1.00 0.00 H new ATOM 147 N GLY A 11 9.911 1.050 6.033 1.00 0.00 N ATOM 148 CA GLY A 11 10.465 -0.278 6.431 1.00 0.00 C ATOM 149 C GLY A 11 11.753 -0.537 5.653 1.00 0.00 C ATOM 150 O GLY A 11 12.670 -1.168 6.139 1.00 0.00 O ATOM 0 H GLY A 11 8.900 1.076 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.663 -0.297 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.738 -1.065 6.227 1.00 0.00 H new ATOM 154 N MET A 12 11.830 -0.042 4.451 1.00 0.00 N ATOM 155 CA MET A 12 13.058 -0.241 3.635 1.00 0.00 C ATOM 156 C MET A 12 13.284 0.988 2.749 1.00 0.00 C ATOM 157 O MET A 12 12.754 2.050 3.007 1.00 0.00 O ATOM 158 CB MET A 12 12.776 -1.481 2.787 1.00 0.00 C ATOM 159 CG MET A 12 12.712 -2.716 3.689 1.00 0.00 C ATOM 160 SD MET A 12 14.280 -2.903 4.571 1.00 0.00 S ATOM 161 CE MET A 12 15.294 -3.357 3.141 1.00 0.00 C ATOM 0 H MET A 12 11.091 0.495 3.996 1.00 0.00 H new ATOM 0 HA MET A 12 13.954 -0.371 4.242 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.835 -1.361 2.251 1.00 0.00 H new ATOM 0 HB3 MET A 12 13.557 -1.606 2.037 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.892 -2.617 4.401 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.510 -3.605 3.092 1.00 0.00 H new ATOM 0 HE1 MET A 12 16.348 -3.229 3.387 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.106 -4.398 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.039 -2.717 2.296 1.00 0.00 H new ATOM 171 N THR A 13 14.059 0.860 1.708 1.00 0.00 N ATOM 172 CA THR A 13 14.298 2.036 0.822 1.00 0.00 C ATOM 173 C THR A 13 15.234 1.667 -0.332 1.00 0.00 C ATOM 174 O THR A 13 16.372 2.088 -0.377 1.00 0.00 O ATOM 175 CB THR A 13 14.946 3.089 1.725 1.00 0.00 C ATOM 176 OG1 THR A 13 15.459 4.145 0.925 1.00 0.00 O ATOM 177 CG2 THR A 13 16.085 2.453 2.524 1.00 0.00 C ATOM 0 H THR A 13 14.534 0.000 1.433 1.00 0.00 H new ATOM 0 HA THR A 13 13.375 2.397 0.368 1.00 0.00 H new ATOM 0 HB THR A 13 14.200 3.483 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.154 3.796 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.544 3.205 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.691 1.644 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.833 2.056 1.838 1.00 0.00 H new ATOM 185 N CYS A 14 14.762 0.894 -1.272 1.00 0.00 N ATOM 186 CA CYS A 14 15.626 0.515 -2.426 1.00 0.00 C ATOM 187 C CYS A 14 14.767 -0.164 -3.496 1.00 0.00 C ATOM 188 O CYS A 14 13.574 -0.301 -3.341 1.00 0.00 O ATOM 189 CB CYS A 14 16.703 -0.420 -1.827 1.00 0.00 C ATOM 190 SG CYS A 14 16.474 -2.147 -2.347 1.00 0.00 S ATOM 0 H CYS A 14 13.818 0.509 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 14 16.101 1.363 -2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 14 17.691 -0.077 -2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.669 -0.362 -0.739 1.00 0.00 H new ATOM 0 HG CYS A 14 17.404 -2.886 -1.819 1.00 0.00 H new ATOM 195 N ALA A 15 15.356 -0.587 -4.577 1.00 0.00 N ATOM 196 CA ALA A 15 14.553 -1.252 -5.643 1.00 0.00 C ATOM 197 C ALA A 15 14.263 -2.704 -5.253 1.00 0.00 C ATOM 198 O ALA A 15 14.839 -3.625 -5.796 1.00 0.00 O ATOM 199 CB ALA A 15 15.433 -1.196 -6.893 1.00 0.00 C ATOM 0 H ALA A 15 16.354 -0.503 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 15 13.590 -0.767 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.912 -1.667 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.648 -0.156 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.367 -1.725 -6.704 1.00 0.00 H new ATOM 205 N ALA A 16 13.376 -2.921 -4.315 1.00 0.00 N ATOM 206 CA ALA A 16 13.067 -4.320 -3.905 1.00 0.00 C ATOM 207 C ALA A 16 12.019 -4.361 -2.782 1.00 0.00 C ATOM 208 O ALA A 16 11.051 -5.085 -2.863 1.00 0.00 O ATOM 209 CB ALA A 16 14.397 -4.885 -3.412 1.00 0.00 C ATOM 0 H ALA A 16 12.857 -2.195 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 16 12.647 -4.895 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.257 -5.917 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.128 -4.853 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.757 -4.289 -2.574 1.00 0.00 H new ATOM 215 N CYS A 17 12.218 -3.620 -1.720 1.00 0.00 N ATOM 216 CA CYS A 17 11.237 -3.663 -0.589 1.00 0.00 C ATOM 217 C CYS A 17 10.068 -2.680 -0.773 1.00 0.00 C ATOM 218 O CYS A 17 8.937 -3.046 -0.525 1.00 0.00 O ATOM 219 CB CYS A 17 12.040 -3.311 0.665 1.00 0.00 C ATOM 220 SG CYS A 17 13.601 -4.226 0.665 1.00 0.00 S ATOM 0 H CYS A 17 13.010 -2.992 -1.586 1.00 0.00 H new ATOM 0 HA CYS A 17 10.776 -4.649 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 17 12.235 -2.239 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.464 -3.555 1.558 1.00 0.00 H new ATOM 0 HG CYS A 17 13.566 -5.144 1.584 1.00 0.00 H new ATOM 225 N PRO A 18 10.341 -1.463 -1.188 1.00 0.00 N ATOM 226 CA PRO A 18 9.243 -0.487 -1.363 1.00 0.00 C ATOM 227 C PRO A 18 8.302 -0.988 -2.456 1.00 0.00 C ATOM 228 O PRO A 18 7.097 -0.967 -2.311 1.00 0.00 O ATOM 229 CB PRO A 18 9.977 0.785 -1.779 1.00 0.00 C ATOM 230 CG PRO A 18 11.468 0.450 -1.960 1.00 0.00 C ATOM 231 CD PRO A 18 11.711 -0.998 -1.508 1.00 0.00 C ATOM 0 HA PRO A 18 8.626 -0.330 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.561 1.176 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.852 1.560 -1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.758 0.573 -3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.082 1.135 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.171 -1.598 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 18 12.370 -1.048 -0.641 1.00 0.00 H new ATOM 239 N ILE A 19 8.847 -1.459 -3.543 1.00 0.00 N ATOM 240 CA ILE A 19 7.985 -1.993 -4.635 1.00 0.00 C ATOM 241 C ILE A 19 7.227 -3.235 -4.136 1.00 0.00 C ATOM 242 O ILE A 19 6.159 -3.561 -4.623 1.00 0.00 O ATOM 243 CB ILE A 19 8.949 -2.364 -5.763 1.00 0.00 C ATOM 244 CG1 ILE A 19 9.549 -1.087 -6.361 1.00 0.00 C ATOM 245 CG2 ILE A 19 8.194 -3.130 -6.853 1.00 0.00 C ATOM 246 CD1 ILE A 19 10.245 -1.415 -7.684 1.00 0.00 C ATOM 0 H ILE A 19 9.850 -1.497 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 19 7.239 -1.272 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 19 9.747 -2.992 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.765 -0.347 -6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.262 -0.647 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.883 -3.393 -7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.766 -4.038 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.395 -2.504 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.671 -0.505 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.040 -2.139 -7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.521 -1.835 -8.382 1.00 0.00 H new ATOM 258 N THR A 20 7.754 -3.925 -3.152 1.00 0.00 N ATOM 259 CA THR A 20 7.038 -5.120 -2.630 1.00 0.00 C ATOM 260 C THR A 20 5.730 -4.656 -2.024 1.00 0.00 C ATOM 261 O THR A 20 4.771 -5.395 -1.923 1.00 0.00 O ATOM 262 CB THR A 20 7.935 -5.714 -1.543 1.00 0.00 C ATOM 263 OG1 THR A 20 9.154 -6.156 -2.121 1.00 0.00 O ATOM 264 CG2 THR A 20 7.218 -6.899 -0.899 1.00 0.00 C ATOM 0 H THR A 20 8.640 -3.711 -2.695 1.00 0.00 H new ATOM 0 HA THR A 20 6.830 -5.856 -3.406 1.00 0.00 H new ATOM 0 HB THR A 20 8.149 -4.957 -0.789 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.694 -5.380 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.851 -7.329 -0.122 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.281 -6.561 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.010 -7.654 -1.657 1.00 0.00 H new ATOM 272 N VAL A 21 5.685 -3.418 -1.635 1.00 0.00 N ATOM 273 CA VAL A 21 4.447 -2.882 -1.053 1.00 0.00 C ATOM 274 C VAL A 21 3.421 -2.753 -2.165 1.00 0.00 C ATOM 275 O VAL A 21 2.243 -2.946 -1.960 1.00 0.00 O ATOM 276 CB VAL A 21 4.819 -1.512 -0.489 1.00 0.00 C ATOM 277 CG1 VAL A 21 3.608 -0.910 0.225 1.00 0.00 C ATOM 278 CG2 VAL A 21 5.971 -1.667 0.506 1.00 0.00 C ATOM 0 H VAL A 21 6.459 -2.757 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 21 4.025 -3.516 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 21 5.126 -0.855 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.872 0.068 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.786 -0.801 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.302 -1.567 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.237 -0.690 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.663 -2.324 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.834 -2.098 -0.001 1.00 0.00 H new ATOM 288 N LYS A 22 3.873 -2.464 -3.358 1.00 0.00 N ATOM 289 CA LYS A 22 2.925 -2.356 -4.488 1.00 0.00 C ATOM 290 C LYS A 22 2.292 -3.718 -4.689 1.00 0.00 C ATOM 291 O LYS A 22 1.116 -3.844 -4.965 1.00 0.00 O ATOM 292 CB LYS A 22 3.768 -1.958 -5.703 1.00 0.00 C ATOM 293 CG LYS A 22 3.027 -2.333 -6.990 1.00 0.00 C ATOM 294 CD LYS A 22 3.065 -1.156 -7.966 1.00 0.00 C ATOM 295 CE LYS A 22 2.067 -1.404 -9.099 1.00 0.00 C ATOM 296 NZ LYS A 22 2.693 -0.794 -10.305 1.00 0.00 N ATOM 0 H LYS A 22 4.853 -2.300 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 22 2.132 -1.627 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.966 -0.886 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.734 -2.461 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.488 -3.210 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.994 -2.597 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.819 -0.230 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.070 -1.037 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.890 -2.470 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.102 -0.947 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.066 -0.924 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.843 0.222 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.607 -1.254 -10.492 1.00 0.00 H new ATOM 310 N LYS A 23 3.074 -4.747 -4.533 1.00 0.00 N ATOM 311 CA LYS A 23 2.525 -6.110 -4.695 1.00 0.00 C ATOM 312 C LYS A 23 1.557 -6.399 -3.554 1.00 0.00 C ATOM 313 O LYS A 23 0.584 -7.107 -3.706 1.00 0.00 O ATOM 314 CB LYS A 23 3.734 -7.044 -4.639 1.00 0.00 C ATOM 315 CG LYS A 23 4.383 -7.129 -6.023 1.00 0.00 C ATOM 316 CD LYS A 23 4.509 -5.723 -6.616 1.00 0.00 C ATOM 317 CE LYS A 23 5.403 -5.766 -7.858 1.00 0.00 C ATOM 318 NZ LYS A 23 4.461 -5.760 -9.011 1.00 0.00 N ATOM 0 H LYS A 23 4.066 -4.699 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 23 1.976 -6.237 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.456 -6.677 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.425 -8.036 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.367 -7.593 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.783 -7.760 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.523 -5.339 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.930 -5.042 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.073 -4.907 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.028 -6.659 -7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.000 -5.788 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.840 -6.592 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.884 -4.895 -8.983 1.00 0.00 H new ATOM 332 N ALA A 24 1.829 -5.838 -2.415 1.00 0.00 N ATOM 333 CA ALA A 24 0.952 -6.047 -1.236 1.00 0.00 C ATOM 334 C ALA A 24 -0.446 -5.488 -1.508 1.00 0.00 C ATOM 335 O ALA A 24 -1.439 -6.166 -1.333 1.00 0.00 O ATOM 336 CB ALA A 24 1.626 -5.278 -0.100 1.00 0.00 C ATOM 0 H ALA A 24 2.634 -5.234 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 24 0.828 -7.103 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.036 -5.383 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.626 -5.678 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.697 -4.223 -0.366 1.00 0.00 H new ATOM 342 N LEU A 25 -0.535 -4.256 -1.940 1.00 0.00 N ATOM 343 CA LEU A 25 -1.878 -3.672 -2.225 1.00 0.00 C ATOM 344 C LEU A 25 -2.460 -4.328 -3.472 1.00 0.00 C ATOM 345 O LEU A 25 -3.657 -4.425 -3.635 1.00 0.00 O ATOM 346 CB LEU A 25 -1.648 -2.181 -2.481 1.00 0.00 C ATOM 347 CG LEU A 25 -0.631 -1.624 -1.489 1.00 0.00 C ATOM 348 CD1 LEU A 25 0.573 -1.093 -2.262 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.270 -0.483 -0.693 1.00 0.00 C ATOM 0 H LEU A 25 0.257 -3.635 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.573 -3.831 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.292 -2.031 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.590 -1.640 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.313 -2.409 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.307 -0.692 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.023 -1.903 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.250 -0.304 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.545 -0.084 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.582 0.307 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.138 -0.859 -0.152 1.00 0.00 H new ATOM 361 N SER A 26 -1.615 -4.788 -4.349 1.00 0.00 N ATOM 362 CA SER A 26 -2.111 -5.445 -5.583 1.00 0.00 C ATOM 363 C SER A 26 -2.800 -6.747 -5.203 1.00 0.00 C ATOM 364 O SER A 26 -3.666 -7.233 -5.903 1.00 0.00 O ATOM 365 CB SER A 26 -0.865 -5.713 -6.427 1.00 0.00 C ATOM 366 OG SER A 26 -0.739 -4.697 -7.413 1.00 0.00 O ATOM 0 H SER A 26 -0.600 -4.736 -4.262 1.00 0.00 H new ATOM 0 HA SER A 26 -2.831 -4.837 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.021 -5.732 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.937 -6.691 -6.903 1.00 0.00 H new ATOM 0 HG SER A 26 0.060 -4.865 -7.955 1.00 0.00 H new ATOM 372 N LYS A 27 -2.429 -7.313 -4.088 1.00 0.00 N ATOM 373 CA LYS A 27 -3.074 -8.574 -3.661 1.00 0.00 C ATOM 374 C LYS A 27 -3.587 -8.443 -2.224 1.00 0.00 C ATOM 375 O LYS A 27 -3.862 -9.424 -1.563 1.00 0.00 O ATOM 376 CB LYS A 27 -1.977 -9.634 -3.748 1.00 0.00 C ATOM 377 CG LYS A 27 -0.880 -9.313 -2.735 1.00 0.00 C ATOM 378 CD LYS A 27 -1.266 -9.883 -1.373 1.00 0.00 C ATOM 379 CE LYS A 27 -0.074 -10.636 -0.778 1.00 0.00 C ATOM 380 NZ LYS A 27 -0.665 -11.833 -0.118 1.00 0.00 N ATOM 0 H LYS A 27 -1.710 -6.954 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.932 -8.830 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.394 -10.621 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.561 -9.661 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.069 -9.737 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.740 -8.234 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.572 -9.079 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.119 -10.554 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.638 -10.923 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.466 -10.017 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.092 -12.400 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.333 -11.529 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.167 -12.407 -0.825 1.00 0.00 H new ATOM 394 N VAL A 28 -3.716 -7.238 -1.734 1.00 0.00 N ATOM 395 CA VAL A 28 -4.206 -7.053 -0.339 1.00 0.00 C ATOM 396 C VAL A 28 -5.612 -7.641 -0.182 1.00 0.00 C ATOM 397 O VAL A 28 -5.884 -8.363 0.754 1.00 0.00 O ATOM 398 CB VAL A 28 -4.222 -5.539 -0.112 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.139 -4.871 -1.137 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.737 -5.242 1.298 1.00 0.00 C ATOM 0 H VAL A 28 -3.504 -6.377 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.572 -7.562 0.387 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.211 -5.148 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.147 -3.794 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.774 -5.080 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.151 -5.262 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.749 -4.164 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.747 -5.637 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.082 -5.713 2.031 1.00 0.00 H new ATOM 410 N GLU A 29 -6.506 -7.346 -1.090 1.00 0.00 N ATOM 411 CA GLU A 29 -7.888 -7.899 -0.980 1.00 0.00 C ATOM 412 C GLU A 29 -8.793 -7.333 -2.079 1.00 0.00 C ATOM 413 O GLU A 29 -8.997 -7.947 -3.108 1.00 0.00 O ATOM 414 CB GLU A 29 -8.387 -7.450 0.392 1.00 0.00 C ATOM 415 CG GLU A 29 -8.352 -8.634 1.357 1.00 0.00 C ATOM 416 CD GLU A 29 -9.660 -8.692 2.148 1.00 0.00 C ATOM 417 OE1 GLU A 29 -10.705 -8.770 1.523 1.00 0.00 O ATOM 418 OE2 GLU A 29 -9.594 -8.658 3.366 1.00 0.00 O ATOM 0 H GLU A 29 -6.340 -6.748 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.897 -8.983 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.764 -6.640 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.402 -7.061 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.209 -9.562 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.507 -8.535 2.039 1.00 0.00 H new ATOM 425 N GLY A 30 -9.356 -6.176 -1.856 1.00 0.00 N ATOM 426 CA GLY A 30 -10.270 -5.579 -2.874 1.00 0.00 C ATOM 427 C GLY A 30 -9.544 -4.506 -3.688 1.00 0.00 C ATOM 428 O GLY A 30 -10.151 -3.796 -4.464 1.00 0.00 O ATOM 0 H GLY A 30 -9.223 -5.618 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.641 -6.359 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.138 -5.143 -2.380 1.00 0.00 H new ATOM 432 N VAL A 31 -8.257 -4.382 -3.521 1.00 0.00 N ATOM 433 CA VAL A 31 -7.499 -3.353 -4.294 1.00 0.00 C ATOM 434 C VAL A 31 -8.005 -3.286 -5.729 1.00 0.00 C ATOM 435 O VAL A 31 -8.130 -4.283 -6.411 1.00 0.00 O ATOM 436 CB VAL A 31 -6.049 -3.819 -4.265 1.00 0.00 C ATOM 437 CG1 VAL A 31 -5.943 -5.195 -4.921 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.182 -2.817 -5.031 1.00 0.00 C ATOM 0 H VAL A 31 -7.696 -4.947 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.617 -2.356 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.705 -3.884 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.906 -5.529 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.564 -5.906 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.284 -5.133 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.143 -3.146 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.525 -2.754 -6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.260 -1.836 -4.563 1.00 0.00 H new ATOM 448 N SER A 32 -8.285 -2.106 -6.188 1.00 0.00 N ATOM 449 CA SER A 32 -8.774 -1.937 -7.581 1.00 0.00 C ATOM 450 C SER A 32 -7.691 -1.257 -8.405 1.00 0.00 C ATOM 451 O SER A 32 -7.704 -1.278 -9.619 1.00 0.00 O ATOM 452 CB SER A 32 -10.013 -1.050 -7.471 1.00 0.00 C ATOM 453 OG SER A 32 -10.851 -1.275 -8.596 1.00 0.00 O ATOM 0 H SER A 32 -8.196 -1.241 -5.655 1.00 0.00 H new ATOM 0 HA SER A 32 -9.012 -2.884 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.553 -1.272 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.721 -0.001 -7.424 1.00 0.00 H new ATOM 0 HG SER A 32 -11.648 -0.709 -8.529 1.00 0.00 H new ATOM 459 N LYS A 33 -6.746 -0.658 -7.742 1.00 0.00 N ATOM 460 CA LYS A 33 -5.641 0.024 -8.473 1.00 0.00 C ATOM 461 C LYS A 33 -4.454 0.235 -7.527 1.00 0.00 C ATOM 462 O LYS A 33 -4.601 0.216 -6.323 1.00 0.00 O ATOM 463 CB LYS A 33 -6.247 1.353 -8.948 1.00 0.00 C ATOM 464 CG LYS A 33 -5.172 2.445 -9.013 1.00 0.00 C ATOM 465 CD LYS A 33 -5.535 3.454 -10.105 1.00 0.00 C ATOM 466 CE LYS A 33 -4.412 3.508 -11.142 1.00 0.00 C ATOM 467 NZ LYS A 33 -4.105 4.957 -11.298 1.00 0.00 N ATOM 0 H LYS A 33 -6.689 -0.610 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.259 -0.552 -9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.699 1.222 -9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.043 1.659 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.091 2.949 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.199 2.000 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.472 3.168 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.688 4.440 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.537 2.952 -10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.726 3.066 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.342 5.077 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.955 5.459 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.803 5.348 -10.383 1.00 0.00 H new ATOM 481 N VAL A 34 -3.277 0.418 -8.061 1.00 0.00 N ATOM 482 CA VAL A 34 -2.089 0.608 -7.184 1.00 0.00 C ATOM 483 C VAL A 34 -0.965 1.330 -7.932 1.00 0.00 C ATOM 484 O VAL A 34 -0.831 1.224 -9.135 1.00 0.00 O ATOM 485 CB VAL A 34 -1.653 -0.809 -6.814 1.00 0.00 C ATOM 486 CG1 VAL A 34 -1.343 -1.594 -8.090 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.399 -0.747 -5.938 1.00 0.00 C ATOM 0 H VAL A 34 -3.088 0.444 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.321 1.218 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.454 -1.304 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.032 -2.605 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.235 -1.639 -8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.541 -1.098 -8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.089 -1.758 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.403 -0.252 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.617 -0.186 -5.029 1.00 0.00 H new ATOM 497 N ASP A 35 -0.153 2.053 -7.215 1.00 0.00 N ATOM 498 CA ASP A 35 0.980 2.784 -7.848 1.00 0.00 C ATOM 499 C ASP A 35 1.891 3.311 -6.739 1.00 0.00 C ATOM 500 O ASP A 35 1.605 4.316 -6.122 1.00 0.00 O ATOM 501 CB ASP A 35 0.336 3.938 -8.619 1.00 0.00 C ATOM 502 CG ASP A 35 -0.416 4.847 -7.645 1.00 0.00 C ATOM 503 OD1 ASP A 35 -1.519 4.491 -7.263 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.124 5.885 -7.298 1.00 0.00 O ATOM 0 H ASP A 35 -0.227 2.170 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 35 1.580 2.161 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.101 4.507 -9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.349 3.549 -9.372 1.00 0.00 H new ATOM 509 N VAL A 36 2.965 2.624 -6.452 1.00 0.00 N ATOM 510 CA VAL A 36 3.856 3.079 -5.342 1.00 0.00 C ATOM 511 C VAL A 36 5.181 3.632 -5.862 1.00 0.00 C ATOM 512 O VAL A 36 5.300 4.058 -6.994 1.00 0.00 O ATOM 513 CB VAL A 36 4.110 1.825 -4.490 1.00 0.00 C ATOM 514 CG1 VAL A 36 2.819 1.013 -4.367 1.00 0.00 C ATOM 515 CG2 VAL A 36 5.195 0.958 -5.141 1.00 0.00 C ATOM 0 H VAL A 36 3.263 1.775 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 36 3.390 3.887 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 36 4.443 2.134 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.004 0.125 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.050 1.622 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.482 0.713 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.368 0.072 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.870 0.655 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.119 1.530 -5.220 1.00 0.00 H new ATOM 525 N GLY A 37 6.176 3.619 -5.021 1.00 0.00 N ATOM 526 CA GLY A 37 7.513 4.130 -5.417 1.00 0.00 C ATOM 527 C GLY A 37 8.587 3.321 -4.690 1.00 0.00 C ATOM 528 O GLY A 37 8.596 3.240 -3.475 1.00 0.00 O ATOM 0 H GLY A 37 6.117 3.271 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.644 4.047 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.602 5.187 -5.166 1.00 0.00 H new ATOM 532 N PHE A 38 9.478 2.717 -5.435 1.00 0.00 N ATOM 533 CA PHE A 38 10.570 1.898 -4.834 1.00 0.00 C ATOM 534 C PHE A 38 11.357 2.694 -3.772 1.00 0.00 C ATOM 535 O PHE A 38 10.779 3.259 -2.871 1.00 0.00 O ATOM 536 CB PHE A 38 11.452 1.511 -6.031 1.00 0.00 C ATOM 537 CG PHE A 38 12.238 2.702 -6.558 1.00 0.00 C ATOM 538 CD1 PHE A 38 11.771 4.017 -6.396 1.00 0.00 C ATOM 539 CD2 PHE A 38 13.455 2.475 -7.215 1.00 0.00 C ATOM 540 CE1 PHE A 38 12.521 5.092 -6.890 1.00 0.00 C ATOM 541 CE2 PHE A 38 14.202 3.551 -7.707 1.00 0.00 C ATOM 542 CZ PHE A 38 13.735 4.860 -7.545 1.00 0.00 C ATOM 0 H PHE A 38 9.493 2.759 -6.454 1.00 0.00 H new ATOM 0 HA PHE A 38 10.192 1.024 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 38 12.143 0.722 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.828 1.106 -6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.834 4.199 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 38 13.818 1.466 -7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.161 6.103 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 38 15.140 3.371 -8.212 1.00 0.00 H new ATOM 0 HZ PHE A 38 14.311 5.690 -7.925 1.00 0.00 H new ATOM 552 N GLU A 39 12.671 2.702 -3.860 1.00 0.00 N ATOM 553 CA GLU A 39 13.531 3.429 -2.863 1.00 0.00 C ATOM 554 C GLU A 39 12.785 4.567 -2.146 1.00 0.00 C ATOM 555 O GLU A 39 12.978 4.789 -0.967 1.00 0.00 O ATOM 556 CB GLU A 39 14.680 3.996 -3.695 1.00 0.00 C ATOM 557 CG GLU A 39 15.939 4.093 -2.833 1.00 0.00 C ATOM 558 CD GLU A 39 16.631 5.433 -3.089 1.00 0.00 C ATOM 559 OE1 GLU A 39 16.138 6.184 -3.914 1.00 0.00 O ATOM 560 OE2 GLU A 39 17.642 5.685 -2.454 1.00 0.00 O ATOM 0 H GLU A 39 13.193 2.226 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 39 13.857 2.757 -2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.867 3.357 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.413 4.981 -4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.678 4.002 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.616 3.271 -3.066 1.00 0.00 H new ATOM 567 N LYS A 40 11.938 5.289 -2.832 1.00 0.00 N ATOM 568 CA LYS A 40 11.196 6.401 -2.161 1.00 0.00 C ATOM 569 C LYS A 40 9.977 5.871 -1.382 1.00 0.00 C ATOM 570 O LYS A 40 8.974 6.546 -1.277 1.00 0.00 O ATOM 571 CB LYS A 40 10.745 7.315 -3.300 1.00 0.00 C ATOM 572 CG LYS A 40 10.599 8.745 -2.777 1.00 0.00 C ATOM 573 CD LYS A 40 9.664 9.533 -3.697 1.00 0.00 C ATOM 574 CE LYS A 40 8.344 9.810 -2.971 1.00 0.00 C ATOM 575 NZ LYS A 40 7.696 10.898 -3.754 1.00 0.00 N ATOM 0 H LYS A 40 11.728 5.159 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 40 11.820 6.919 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.470 7.286 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.796 6.966 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.202 8.733 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.575 9.228 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.133 10.472 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.477 8.970 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.717 8.919 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.517 10.115 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.784 11.144 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.313 11.735 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.537 10.576 -4.730 1.00 0.00 H new ATOM 589 N ARG A 41 10.078 4.675 -0.836 1.00 0.00 N ATOM 590 CA ARG A 41 8.960 4.050 -0.042 1.00 0.00 C ATOM 591 C ARG A 41 7.659 4.859 -0.096 1.00 0.00 C ATOM 592 O ARG A 41 7.399 5.685 0.755 1.00 0.00 O ATOM 593 CB ARG A 41 9.482 4.015 1.392 1.00 0.00 C ATOM 594 CG ARG A 41 9.720 5.446 1.877 1.00 0.00 C ATOM 595 CD ARG A 41 8.868 5.722 3.118 1.00 0.00 C ATOM 596 NE ARG A 41 9.797 6.394 4.070 1.00 0.00 N ATOM 597 CZ ARG A 41 9.331 6.987 5.136 1.00 0.00 C ATOM 598 NH1 ARG A 41 8.045 7.017 5.364 1.00 0.00 N ATOM 599 NH2 ARG A 41 10.153 7.559 5.973 1.00 0.00 N ATOM 0 H ARG A 41 10.911 4.091 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 41 8.709 3.069 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.764 3.513 2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.409 3.443 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.775 5.590 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.468 6.154 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.016 6.358 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.469 4.799 3.538 1.00 0.00 H new ATOM 0 HE ARG A 41 10.801 6.391 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.400 6.576 4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.686 7.481 6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.157 7.542 5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.791 8.023 6.806 1.00 0.00 H new ATOM 613 N GLU A 42 6.834 4.623 -1.077 1.00 0.00 N ATOM 614 CA GLU A 42 5.547 5.382 -1.155 1.00 0.00 C ATOM 615 C GLU A 42 4.517 4.594 -1.967 1.00 0.00 C ATOM 616 O GLU A 42 4.650 4.443 -3.163 1.00 0.00 O ATOM 617 CB GLU A 42 5.898 6.691 -1.862 1.00 0.00 C ATOM 618 CG GLU A 42 4.788 7.716 -1.623 1.00 0.00 C ATOM 619 CD GLU A 42 3.553 7.335 -2.442 1.00 0.00 C ATOM 620 OE1 GLU A 42 3.667 7.271 -3.655 1.00 0.00 O ATOM 621 OE2 GLU A 42 2.513 7.114 -1.842 1.00 0.00 O ATOM 0 H GLU A 42 6.989 3.945 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 42 5.111 5.556 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.848 7.074 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.022 6.517 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.536 7.754 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.131 8.711 -1.905 1.00 0.00 H new ATOM 628 N ALA A 43 3.492 4.078 -1.337 1.00 0.00 N ATOM 629 CA ALA A 43 2.488 3.295 -2.108 1.00 0.00 C ATOM 630 C ALA A 43 1.125 3.992 -2.132 1.00 0.00 C ATOM 631 O ALA A 43 0.479 4.157 -1.125 1.00 0.00 O ATOM 632 CB ALA A 43 2.392 1.955 -1.380 1.00 0.00 C ATOM 0 H ALA A 43 3.311 4.164 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 43 2.785 3.184 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.669 1.316 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.368 1.470 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.070 2.122 -0.352 1.00 0.00 H new ATOM 638 N VAL A 44 0.667 4.363 -3.290 1.00 0.00 N ATOM 639 CA VAL A 44 -0.668 5.011 -3.390 1.00 0.00 C ATOM 640 C VAL A 44 -1.612 4.008 -4.040 1.00 0.00 C ATOM 641 O VAL A 44 -1.358 3.522 -5.124 1.00 0.00 O ATOM 642 CB VAL A 44 -0.448 6.248 -4.271 1.00 0.00 C ATOM 643 CG1 VAL A 44 -1.723 6.570 -5.057 1.00 0.00 C ATOM 644 CG2 VAL A 44 -0.089 7.442 -3.383 1.00 0.00 C ATOM 0 H VAL A 44 1.160 4.246 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.099 5.306 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 44 0.362 6.047 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.555 7.450 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.984 5.722 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.539 6.768 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.068 8.323 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.902 7.632 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.823 7.222 -2.828 1.00 0.00 H new ATOM 654 N VAL A 45 -2.674 3.646 -3.380 1.00 0.00 N ATOM 655 CA VAL A 45 -3.563 2.618 -3.991 1.00 0.00 C ATOM 656 C VAL A 45 -5.050 2.915 -3.793 1.00 0.00 C ATOM 657 O VAL A 45 -5.468 3.515 -2.822 1.00 0.00 O ATOM 658 CB VAL A 45 -3.187 1.323 -3.269 1.00 0.00 C ATOM 659 CG1 VAL A 45 -3.992 0.152 -3.838 1.00 0.00 C ATOM 660 CG2 VAL A 45 -1.695 1.048 -3.463 1.00 0.00 C ATOM 0 H VAL A 45 -2.961 4.004 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.424 2.578 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.410 1.430 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.717 -0.765 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.057 0.342 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.776 0.045 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.425 0.125 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.479 0.947 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.116 1.875 -3.052 1.00 0.00 H new ATOM 670 N THR A 46 -5.842 2.440 -4.714 1.00 0.00 N ATOM 671 CA THR A 46 -7.318 2.604 -4.638 1.00 0.00 C ATOM 672 C THR A 46 -7.917 1.224 -4.392 1.00 0.00 C ATOM 673 O THR A 46 -7.263 0.222 -4.606 1.00 0.00 O ATOM 674 CB THR A 46 -7.726 3.131 -6.014 1.00 0.00 C ATOM 675 OG1 THR A 46 -7.549 4.540 -6.050 1.00 0.00 O ATOM 676 CG2 THR A 46 -9.194 2.789 -6.289 1.00 0.00 C ATOM 0 H THR A 46 -5.517 1.932 -5.537 1.00 0.00 H new ATOM 0 HA THR A 46 -7.651 3.276 -3.847 1.00 0.00 H new ATOM 0 HB THR A 46 -7.103 2.665 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.809 4.880 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.478 3.167 -7.271 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.326 1.707 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.824 3.249 -5.527 1.00 0.00 H new ATOM 684 N PHE A 47 -9.135 1.142 -3.948 1.00 0.00 N ATOM 685 CA PHE A 47 -9.715 -0.199 -3.704 1.00 0.00 C ATOM 686 C PHE A 47 -11.178 -0.087 -3.367 1.00 0.00 C ATOM 687 O PHE A 47 -11.732 0.985 -3.333 1.00 0.00 O ATOM 688 CB PHE A 47 -8.947 -0.750 -2.508 1.00 0.00 C ATOM 689 CG PHE A 47 -9.228 0.117 -1.303 1.00 0.00 C ATOM 690 CD1 PHE A 47 -10.339 -0.145 -0.484 1.00 0.00 C ATOM 691 CD2 PHE A 47 -8.375 1.188 -1.003 1.00 0.00 C ATOM 692 CE1 PHE A 47 -10.590 0.664 0.628 1.00 0.00 C ATOM 693 CE2 PHE A 47 -8.630 1.992 0.111 1.00 0.00 C ATOM 694 CZ PHE A 47 -9.735 1.730 0.926 1.00 0.00 C ATOM 0 H PHE A 47 -9.746 1.934 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.636 -0.842 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.246 -1.779 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.878 -0.764 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.998 -0.970 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.521 1.392 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.445 0.466 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.973 2.817 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.929 2.352 1.787 1.00 0.00 H new ATOM 704 N ASP A 48 -11.788 -1.192 -3.071 1.00 0.00 N ATOM 705 CA ASP A 48 -13.213 -1.169 -2.687 1.00 0.00 C ATOM 706 C ASP A 48 -13.277 -1.416 -1.190 1.00 0.00 C ATOM 707 O ASP A 48 -12.772 -2.402 -0.691 1.00 0.00 O ATOM 708 CB ASP A 48 -13.869 -2.312 -3.463 1.00 0.00 C ATOM 709 CG ASP A 48 -14.158 -1.861 -4.897 1.00 0.00 C ATOM 710 OD1 ASP A 48 -14.163 -0.664 -5.131 1.00 0.00 O ATOM 711 OD2 ASP A 48 -14.370 -2.722 -5.735 1.00 0.00 O ATOM 0 H ASP A 48 -11.356 -2.116 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.716 -0.228 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.214 -3.183 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.795 -2.614 -2.973 1.00 0.00 H new ATOM 716 N ASP A 49 -13.855 -0.515 -0.457 1.00 0.00 N ATOM 717 CA ASP A 49 -13.894 -0.701 1.019 1.00 0.00 C ATOM 718 C ASP A 49 -14.750 -1.919 1.396 1.00 0.00 C ATOM 719 O ASP A 49 -14.834 -2.294 2.549 1.00 0.00 O ATOM 720 CB ASP A 49 -14.471 0.606 1.577 1.00 0.00 C ATOM 721 CG ASP A 49 -16.003 0.551 1.601 1.00 0.00 C ATOM 722 OD1 ASP A 49 -16.564 -0.198 0.818 1.00 0.00 O ATOM 723 OD2 ASP A 49 -16.589 1.260 2.403 1.00 0.00 O ATOM 0 H ASP A 49 -14.298 0.334 -0.807 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.907 -0.901 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.092 0.777 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.141 1.446 0.966 1.00 0.00 H new ATOM 728 N THR A 50 -15.377 -2.546 0.437 1.00 0.00 N ATOM 729 CA THR A 50 -16.212 -3.742 0.749 1.00 0.00 C ATOM 730 C THR A 50 -15.313 -4.957 1.005 1.00 0.00 C ATOM 731 O THR A 50 -15.680 -5.872 1.715 1.00 0.00 O ATOM 732 CB THR A 50 -17.070 -3.966 -0.499 1.00 0.00 C ATOM 733 OG1 THR A 50 -16.234 -3.994 -1.647 1.00 0.00 O ATOM 734 CG2 THR A 50 -18.090 -2.835 -0.637 1.00 0.00 C ATOM 0 H THR A 50 -15.347 -2.282 -0.548 1.00 0.00 H new ATOM 0 HA THR A 50 -16.822 -3.599 1.641 1.00 0.00 H new ATOM 0 HB THR A 50 -17.598 -4.915 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.674 -3.520 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.698 -3.000 -1.527 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.733 -2.815 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.567 -1.883 -0.726 1.00 0.00 H new ATOM 742 N LYS A 51 -14.139 -4.975 0.431 1.00 0.00 N ATOM 743 CA LYS A 51 -13.222 -6.135 0.644 1.00 0.00 C ATOM 744 C LYS A 51 -11.860 -5.657 1.156 1.00 0.00 C ATOM 745 O LYS A 51 -11.005 -6.447 1.507 1.00 0.00 O ATOM 746 CB LYS A 51 -13.076 -6.788 -0.733 1.00 0.00 C ATOM 747 CG LYS A 51 -14.062 -7.952 -0.856 1.00 0.00 C ATOM 748 CD LYS A 51 -13.298 -9.277 -0.787 1.00 0.00 C ATOM 749 CE LYS A 51 -12.395 -9.410 -2.016 1.00 0.00 C ATOM 750 NZ LYS A 51 -11.401 -10.457 -1.652 1.00 0.00 N ATOM 0 H LYS A 51 -13.775 -4.239 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.612 -6.830 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.265 -6.054 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.056 -7.146 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.800 -7.903 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.607 -7.883 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.700 -9.317 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.998 -10.111 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.968 -9.699 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.905 -8.465 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.746 -10.605 -2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.866 -10.152 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.896 -11.347 -1.441 1.00 0.00 H new ATOM 764 N ALA A 52 -11.653 -4.373 1.203 1.00 0.00 N ATOM 765 CA ALA A 52 -10.347 -3.840 1.695 1.00 0.00 C ATOM 766 C ALA A 52 -10.559 -2.509 2.409 1.00 0.00 C ATOM 767 O ALA A 52 -11.671 -2.123 2.708 1.00 0.00 O ATOM 768 CB ALA A 52 -9.493 -3.638 0.443 1.00 0.00 C ATOM 0 H ALA A 52 -12.331 -3.665 0.922 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.872 -4.517 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.516 -3.247 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.367 -4.592 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.986 -2.931 -0.224 1.00 0.00 H new ATOM 774 N SER A 53 -9.500 -1.808 2.691 1.00 0.00 N ATOM 775 CA SER A 53 -9.641 -0.507 3.391 1.00 0.00 C ATOM 776 C SER A 53 -8.274 0.146 3.570 1.00 0.00 C ATOM 777 O SER A 53 -7.263 -0.521 3.646 1.00 0.00 O ATOM 778 CB SER A 53 -10.243 -0.863 4.748 1.00 0.00 C ATOM 779 OG SER A 53 -10.330 0.309 5.547 1.00 0.00 O ATOM 0 H SER A 53 -8.543 -2.081 2.467 1.00 0.00 H new ATOM 0 HA SER A 53 -10.259 0.199 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.232 -1.301 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.627 -1.612 5.246 1.00 0.00 H new ATOM 0 HG SER A 53 -10.718 0.083 6.418 1.00 0.00 H new ATOM 785 N VAL A 54 -8.238 1.444 3.642 1.00 0.00 N ATOM 786 CA VAL A 54 -6.942 2.146 3.833 1.00 0.00 C ATOM 787 C VAL A 54 -6.104 1.391 4.860 1.00 0.00 C ATOM 788 O VAL A 54 -4.908 1.237 4.709 1.00 0.00 O ATOM 789 CB VAL A 54 -7.323 3.532 4.353 1.00 0.00 C ATOM 790 CG1 VAL A 54 -8.253 3.394 5.561 1.00 0.00 C ATOM 791 CG2 VAL A 54 -6.062 4.281 4.775 1.00 0.00 C ATOM 0 H VAL A 54 -9.054 2.052 3.576 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.351 2.209 2.919 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.833 4.083 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.522 4.384 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.156 2.859 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.745 2.840 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.333 5.269 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.555 3.724 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.397 4.385 3.918 1.00 0.00 H new ATOM 801 N GLN A 55 -6.727 0.895 5.891 1.00 0.00 N ATOM 802 CA GLN A 55 -5.966 0.124 6.907 1.00 0.00 C ATOM 803 C GLN A 55 -5.440 -1.156 6.259 1.00 0.00 C ATOM 804 O GLN A 55 -4.292 -1.518 6.416 1.00 0.00 O ATOM 805 CB GLN A 55 -6.976 -0.201 8.008 1.00 0.00 C ATOM 806 CG GLN A 55 -6.267 -0.203 9.363 1.00 0.00 C ATOM 807 CD GLN A 55 -7.055 0.656 10.353 1.00 0.00 C ATOM 808 OE1 GLN A 55 -7.841 1.494 9.957 1.00 0.00 O ATOM 809 NE2 GLN A 55 -6.877 0.481 11.634 1.00 0.00 N ATOM 0 H GLN A 55 -7.726 0.990 6.072 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.112 0.671 7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.781 0.534 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.433 -1.173 7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.181 -1.223 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.254 0.184 9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.217 -0.223 11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.398 1.048 12.303 1.00 0.00 H new ATOM 818 N LYS A 56 -6.277 -1.840 5.522 1.00 0.00 N ATOM 819 CA LYS A 56 -5.834 -3.093 4.853 1.00 0.00 C ATOM 820 C LYS A 56 -4.684 -2.808 3.879 1.00 0.00 C ATOM 821 O LYS A 56 -3.898 -3.683 3.574 1.00 0.00 O ATOM 822 CB LYS A 56 -7.064 -3.598 4.098 1.00 0.00 C ATOM 823 CG LYS A 56 -7.642 -4.816 4.823 1.00 0.00 C ATOM 824 CD LYS A 56 -9.128 -4.590 5.108 1.00 0.00 C ATOM 825 CE LYS A 56 -9.507 -5.282 6.421 1.00 0.00 C ATOM 826 NZ LYS A 56 -10.363 -4.300 7.144 1.00 0.00 N ATOM 0 H LYS A 56 -7.250 -1.582 5.356 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.463 -3.827 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.814 -2.810 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.793 -3.864 3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.511 -5.710 4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.104 -4.985 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.339 -3.523 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.730 -4.984 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.044 -6.212 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.621 -5.536 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.662 -4.704 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.823 -3.427 7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.202 -4.082 6.570 1.00 0.00 H new ATOM 840 N LEU A 57 -4.557 -1.596 3.397 1.00 0.00 N ATOM 841 CA LEU A 57 -3.432 -1.302 2.465 1.00 0.00 C ATOM 842 C LEU A 57 -2.140 -1.230 3.278 1.00 0.00 C ATOM 843 O LEU A 57 -1.163 -1.902 2.994 1.00 0.00 O ATOM 844 CB LEU A 57 -3.758 0.055 1.846 1.00 0.00 C ATOM 845 CG LEU A 57 -5.186 0.053 1.292 1.00 0.00 C ATOM 846 CD1 LEU A 57 -5.557 1.472 0.882 1.00 0.00 C ATOM 847 CD2 LEU A 57 -5.272 -0.863 0.071 1.00 0.00 C ATOM 0 H LEU A 57 -5.174 -0.811 3.606 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.306 -2.061 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.652 0.840 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.050 0.278 1.048 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.872 -0.309 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.572 1.483 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.499 2.128 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.865 1.822 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.291 -0.858 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.589 -0.507 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.998 -1.878 0.358 1.00 0.00 H new ATOM 859 N THR A 58 -2.149 -0.440 4.315 1.00 0.00 N ATOM 860 CA THR A 58 -0.955 -0.336 5.188 1.00 0.00 C ATOM 861 C THR A 58 -0.718 -1.692 5.841 1.00 0.00 C ATOM 862 O THR A 58 0.358 -1.989 6.317 1.00 0.00 O ATOM 863 CB THR A 58 -1.329 0.702 6.243 1.00 0.00 C ATOM 864 OG1 THR A 58 -2.122 1.716 5.643 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.060 1.320 6.828 1.00 0.00 C ATOM 0 H THR A 58 -2.940 0.141 4.594 1.00 0.00 H new ATOM 0 HA THR A 58 -0.050 -0.053 4.651 1.00 0.00 H new ATOM 0 HB THR A 58 -1.895 0.223 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.929 1.861 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.330 2.061 7.581 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.546 0.539 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.510 1.801 6.033 1.00 0.00 H new ATOM 873 N LYS A 59 -1.727 -2.521 5.853 1.00 0.00 N ATOM 874 CA LYS A 59 -1.577 -3.869 6.455 1.00 0.00 C ATOM 875 C LYS A 59 -0.926 -4.794 5.434 1.00 0.00 C ATOM 876 O LYS A 59 -0.261 -5.748 5.782 1.00 0.00 O ATOM 877 CB LYS A 59 -2.999 -4.330 6.773 1.00 0.00 C ATOM 878 CG LYS A 59 -3.073 -4.794 8.229 1.00 0.00 C ATOM 879 CD LYS A 59 -3.759 -3.718 9.073 1.00 0.00 C ATOM 880 CE LYS A 59 -2.734 -2.657 9.482 1.00 0.00 C ATOM 881 NZ LYS A 59 -3.081 -2.311 10.888 1.00 0.00 N ATOM 0 H LYS A 59 -2.650 -2.318 5.469 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.954 -3.869 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.703 -3.515 6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.286 -5.143 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.626 -5.731 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.071 -4.987 8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.568 -3.257 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.207 -4.167 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.717 -3.042 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.791 -1.782 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.422 -1.588 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.052 -1.941 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.011 -3.162 11.482 1.00 0.00 H new ATOM 895 N ALA A 60 -1.103 -4.510 4.169 1.00 0.00 N ATOM 896 CA ALA A 60 -0.474 -5.371 3.131 1.00 0.00 C ATOM 897 C ALA A 60 1.034 -5.139 3.139 1.00 0.00 C ATOM 898 O ALA A 60 1.813 -6.069 3.067 1.00 0.00 O ATOM 899 CB ALA A 60 -1.094 -4.932 1.802 1.00 0.00 C ATOM 0 H ALA A 60 -1.651 -3.726 3.815 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.642 -6.434 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.675 -5.527 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.174 -5.078 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.876 -3.878 1.629 1.00 0.00 H new ATOM 905 N THR A 61 1.456 -3.910 3.268 1.00 0.00 N ATOM 906 CA THR A 61 2.921 -3.647 3.328 1.00 0.00 C ATOM 907 C THR A 61 3.397 -4.046 4.714 1.00 0.00 C ATOM 908 O THR A 61 4.443 -4.645 4.887 1.00 0.00 O ATOM 909 CB THR A 61 3.075 -2.146 3.111 1.00 0.00 C ATOM 910 OG1 THR A 61 4.455 -1.823 3.012 1.00 0.00 O ATOM 911 CG2 THR A 61 2.452 -1.389 4.286 1.00 0.00 C ATOM 0 H THR A 61 0.858 -3.087 3.334 1.00 0.00 H new ATOM 0 HA THR A 61 3.498 -4.200 2.587 1.00 0.00 H new ATOM 0 HB THR A 61 2.568 -1.858 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.808 -1.619 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.564 -0.316 4.128 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.393 -1.637 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.955 -1.674 5.210 1.00 0.00 H new ATOM 919 N ALA A 62 2.603 -3.749 5.704 1.00 0.00 N ATOM 920 CA ALA A 62 2.971 -4.142 7.080 1.00 0.00 C ATOM 921 C ALA A 62 3.082 -5.661 7.114 1.00 0.00 C ATOM 922 O ALA A 62 3.808 -6.231 7.903 1.00 0.00 O ATOM 923 CB ALA A 62 1.822 -3.658 7.968 1.00 0.00 C ATOM 0 H ALA A 62 1.717 -3.251 5.614 1.00 0.00 H new ATOM 0 HA ALA A 62 3.917 -3.718 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.030 -3.918 9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.723 -2.576 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.894 -4.135 7.654 1.00 0.00 H new ATOM 929 N ASP A 63 2.371 -6.320 6.234 1.00 0.00 N ATOM 930 CA ASP A 63 2.441 -7.800 6.182 1.00 0.00 C ATOM 931 C ASP A 63 3.542 -8.216 5.210 1.00 0.00 C ATOM 932 O ASP A 63 4.052 -9.317 5.266 1.00 0.00 O ATOM 933 CB ASP A 63 1.069 -8.256 5.682 1.00 0.00 C ATOM 934 CG ASP A 63 0.073 -8.267 6.843 1.00 0.00 C ATOM 935 OD1 ASP A 63 0.512 -8.164 7.977 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.113 -8.378 6.579 1.00 0.00 O ATOM 0 H ASP A 63 1.746 -5.891 5.551 1.00 0.00 H new ATOM 0 HA ASP A 63 2.673 -8.246 7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.718 -7.588 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.143 -9.252 5.245 1.00 0.00 H new ATOM 941 N ALA A 64 3.934 -7.330 4.331 1.00 0.00 N ATOM 942 CA ALA A 64 5.022 -7.671 3.383 1.00 0.00 C ATOM 943 C ALA A 64 6.338 -7.673 4.150 1.00 0.00 C ATOM 944 O ALA A 64 7.330 -8.222 3.714 1.00 0.00 O ATOM 945 CB ALA A 64 5.006 -6.561 2.331 1.00 0.00 C ATOM 0 H ALA A 64 3.547 -6.391 4.233 1.00 0.00 H new ATOM 0 HA ALA A 64 4.899 -8.649 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.787 -6.747 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.036 -6.544 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.184 -5.600 2.813 1.00 0.00 H new ATOM 951 N GLY A 65 6.344 -7.054 5.299 1.00 0.00 N ATOM 952 CA GLY A 65 7.583 -7.005 6.111 1.00 0.00 C ATOM 953 C GLY A 65 8.108 -5.578 6.123 1.00 0.00 C ATOM 954 O GLY A 65 9.293 -5.344 6.245 1.00 0.00 O ATOM 0 H GLY A 65 5.539 -6.580 5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.381 -7.341 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.333 -7.679 5.696 1.00 0.00 H new ATOM 958 N TYR A 66 7.234 -4.620 5.991 1.00 0.00 N ATOM 959 CA TYR A 66 7.691 -3.204 5.984 1.00 0.00 C ATOM 960 C TYR A 66 6.759 -2.328 6.831 1.00 0.00 C ATOM 961 O TYR A 66 5.694 -1.954 6.384 1.00 0.00 O ATOM 962 CB TYR A 66 7.635 -2.783 4.514 1.00 0.00 C ATOM 963 CG TYR A 66 8.408 -3.778 3.680 1.00 0.00 C ATOM 964 CD1 TYR A 66 9.710 -4.122 4.055 1.00 0.00 C ATOM 965 CD2 TYR A 66 7.829 -4.357 2.540 1.00 0.00 C ATOM 966 CE1 TYR A 66 10.438 -5.044 3.295 1.00 0.00 C ATOM 967 CE2 TYR A 66 8.559 -5.279 1.781 1.00 0.00 C ATOM 968 CZ TYR A 66 9.863 -5.623 2.159 1.00 0.00 C ATOM 969 OH TYR A 66 10.581 -6.533 1.410 1.00 0.00 O ATOM 0 H TYR A 66 6.228 -4.755 5.888 1.00 0.00 H new ATOM 0 HA TYR A 66 8.689 -3.093 6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.600 -2.735 4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.056 -1.785 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 66 10.154 -3.676 4.932 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.823 -4.092 2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.444 -5.309 3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.116 -5.726 0.903 1.00 0.00 H new ATOM 0 HH TYR A 66 10.035 -6.839 0.656 1.00 0.00 H new ATOM 979 N PRO A 67 7.194 -2.018 8.030 1.00 0.00 N ATOM 980 CA PRO A 67 6.385 -1.167 8.932 1.00 0.00 C ATOM 981 C PRO A 67 6.113 0.181 8.265 1.00 0.00 C ATOM 982 O PRO A 67 6.923 1.086 8.314 1.00 0.00 O ATOM 983 CB PRO A 67 7.292 -1.014 10.158 1.00 0.00 C ATOM 984 CG PRO A 67 8.573 -1.839 9.931 1.00 0.00 C ATOM 985 CD PRO A 67 8.502 -2.491 8.543 1.00 0.00 C ATOM 0 HA PRO A 67 5.408 -1.581 9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.541 0.035 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.776 -1.357 11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.452 -1.198 10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.672 -2.603 10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.326 -2.175 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.545 -3.578 8.603 1.00 0.00 H new ATOM 993 N SER A 68 4.988 0.313 7.621 1.00 0.00 N ATOM 994 CA SER A 68 4.674 1.594 6.926 1.00 0.00 C ATOM 995 C SER A 68 3.562 2.363 7.650 1.00 0.00 C ATOM 996 O SER A 68 3.181 2.038 8.757 1.00 0.00 O ATOM 997 CB SER A 68 4.208 1.165 5.534 1.00 0.00 C ATOM 998 OG SER A 68 4.117 2.302 4.690 1.00 0.00 O ATOM 0 H SER A 68 4.272 -0.409 7.545 1.00 0.00 H new ATOM 0 HA SER A 68 5.533 2.264 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.906 0.442 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.239 0.671 5.600 1.00 0.00 H new ATOM 0 HG SER A 68 3.417 2.157 4.020 1.00 0.00 H new ATOM 1004 N SER A 69 3.042 3.380 7.018 1.00 0.00 N ATOM 1005 CA SER A 69 1.956 4.190 7.628 1.00 0.00 C ATOM 1006 C SER A 69 0.985 4.600 6.527 1.00 0.00 C ATOM 1007 O SER A 69 1.175 4.263 5.376 1.00 0.00 O ATOM 1008 CB SER A 69 2.649 5.416 8.223 1.00 0.00 C ATOM 1009 OG SER A 69 3.889 5.622 7.560 1.00 0.00 O ATOM 0 H SER A 69 3.331 3.687 6.089 1.00 0.00 H new ATOM 0 HA SER A 69 1.395 3.651 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.014 6.296 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.814 5.272 9.291 1.00 0.00 H new ATOM 0 HG SER A 69 4.335 6.408 7.938 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.065 5.293 6.851 1.00 0.00 N ATOM 1016 CA VAL A 70 -1.029 5.664 5.789 1.00 0.00 C ATOM 1017 C VAL A 70 -1.527 7.097 5.928 1.00 0.00 C ATOM 1018 O VAL A 70 -1.655 7.625 7.015 1.00 0.00 O ATOM 1019 CB VAL A 70 -2.158 4.677 5.997 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -2.966 5.079 7.234 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -3.067 4.669 4.769 1.00 0.00 C ATOM 0 H VAL A 70 -0.295 5.614 7.791 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.585 5.624 4.794 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.744 3.679 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.779 4.369 7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.316 5.077 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.379 6.078 7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.879 3.958 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.482 5.665 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.490 4.378 3.891 1.00 0.00 H new ATOM 1031 N LYS A 71 -1.816 7.730 4.820 1.00 0.00 N ATOM 1032 CA LYS A 71 -2.313 9.120 4.872 1.00 0.00 C ATOM 1033 C LYS A 71 -3.491 9.287 3.907 1.00 0.00 C ATOM 1034 O LYS A 71 -3.356 9.830 2.828 1.00 0.00 O ATOM 1035 CB LYS A 71 -1.124 9.960 4.433 1.00 0.00 C ATOM 1036 CG LYS A 71 -1.607 11.361 4.098 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.187 11.706 2.673 1.00 0.00 C ATOM 1038 CE LYS A 71 -1.149 13.226 2.506 1.00 0.00 C ATOM 1039 NZ LYS A 71 -1.640 13.473 1.122 1.00 0.00 N ATOM 0 H LYS A 71 -1.726 7.336 3.884 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.675 9.409 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.377 9.999 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.644 9.509 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.691 11.418 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.186 12.082 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.206 11.281 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.886 11.269 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.782 13.720 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.139 13.613 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.643 14.495 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.015 12.996 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.606 13.100 1.025 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.643 8.823 4.293 1.00 0.00 N ATOM 1054 CA GLN A 72 -5.841 8.946 3.412 1.00 0.00 C ATOM 1055 C GLN A 72 -6.127 10.419 3.110 1.00 0.00 C ATOM 1056 O GLN A 72 -7.212 10.706 2.632 1.00 0.00 O ATOM 1057 CB GLN A 72 -6.989 8.334 4.217 1.00 0.00 C ATOM 1058 CG GLN A 72 -6.955 8.878 5.647 1.00 0.00 C ATOM 1059 CD GLN A 72 -8.384 9.100 6.146 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -8.819 10.225 6.298 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -9.139 8.069 6.411 1.00 0.00 N ATOM 1062 OXT GLN A 72 -5.256 11.234 3.366 1.00 0.00 O ATOM 0 H GLN A 72 -4.811 8.360 5.186 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.701 8.446 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.944 8.572 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.902 7.248 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.435 8.178 6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.399 9.815 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.775 7.125 6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.093 8.208 6.745 1.00 0.00 H new