USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 14 TYR OH : rot 180:sc= 0.292 USER MOD Set 1.2: B 1 PHE N :NH3+ -129:sc= 0.522 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 165:sc= 2.27 (180deg=1.68) USER MOD Single : A 5 GLN : amide:sc= 1.05 K(o=1.1,f=-0.044) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 9 SER OG : rot 180:sc= 0.245 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.065) USER MOD Single : A 18 ASN : amide:sc= 0.335 X(o=0.34,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.764 K(o=0.76,f=-0.068) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc=-0.00488 K(o=-0.0049,f=-0.63) USER MOD Single : B 5 HIS : no HE2:sc= 0.726 K(o=0.73,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 166:sc= 0 USER MOD Single : B 27 THR OG1 : rot -170:sc= 0.233 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0429 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.945 10.323 -1.839 1.00 0.00 N ATOM 2 CA GLY A 1 -4.872 8.948 -2.376 1.00 0.00 C ATOM 3 C GLY A 1 -3.447 8.532 -2.703 1.00 0.00 C ATOM 4 O GLY A 1 -2.493 9.138 -2.219 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.930 10.656 -1.869 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.607 10.330 -0.855 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.349 10.952 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.293 8.253 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.484 8.878 -3.275 1.00 0.00 H new ATOM 10 N ILE A 2 -3.280 7.492 -3.527 1.00 0.00 N ATOM 11 CA ILE A 2 -1.956 6.928 -3.878 1.00 0.00 C ATOM 12 C ILE A 2 -1.309 7.583 -5.100 1.00 0.00 C ATOM 13 O ILE A 2 -0.084 7.692 -5.134 1.00 0.00 O ATOM 14 CB ILE A 2 -2.017 5.392 -4.045 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.013 4.938 -5.135 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.327 4.742 -2.688 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.969 3.439 -5.439 1.00 0.00 C ATOM 0 H ILE A 2 -4.059 7.010 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.311 7.161 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.039 5.057 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.023 5.205 -4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.807 5.490 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.370 3.659 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.544 4.999 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.287 5.106 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.698 3.203 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.972 3.167 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.206 2.877 -4.535 1.00 0.00 H new ATOM 29 N VAL A 3 -2.087 8.062 -6.078 1.00 0.00 N ATOM 30 CA VAL A 3 -1.544 8.640 -7.328 1.00 0.00 C ATOM 31 C VAL A 3 -0.628 9.841 -7.050 1.00 0.00 C ATOM 32 O VAL A 3 0.423 9.959 -7.677 1.00 0.00 O ATOM 33 CB VAL A 3 -2.672 9.016 -8.314 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.241 9.923 -9.480 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.293 7.744 -8.916 1.00 0.00 C ATOM 0 H VAL A 3 -3.106 8.063 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.935 7.868 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.385 9.581 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.101 10.131 -10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.846 10.859 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.470 9.422 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.087 8.020 -9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.526 7.181 -9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.707 7.128 -8.117 1.00 0.00 H new ATOM 45 N GLU A 4 -0.963 10.689 -6.070 1.00 0.00 N ATOM 46 CA GLU A 4 -0.146 11.854 -5.690 1.00 0.00 C ATOM 47 C GLU A 4 1.202 11.501 -5.023 1.00 0.00 C ATOM 48 O GLU A 4 2.037 12.387 -4.820 1.00 0.00 O ATOM 49 CB GLU A 4 -0.970 12.799 -4.799 1.00 0.00 C ATOM 50 CG GLU A 4 -1.227 12.224 -3.402 1.00 0.00 C ATOM 51 CD GLU A 4 -2.322 13.006 -2.671 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.016 14.057 -2.059 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.490 12.551 -2.700 1.00 0.00 O ATOM 0 H GLU A 4 -1.812 10.588 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 4 0.123 12.354 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.447 13.750 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.924 13.007 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.519 11.177 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.306 12.253 -2.820 1.00 0.00 H new ATOM 60 N GLN A 5 1.433 10.225 -4.690 1.00 0.00 N ATOM 61 CA GLN A 5 2.738 9.706 -4.276 1.00 0.00 C ATOM 62 C GLN A 5 3.403 8.964 -5.440 1.00 0.00 C ATOM 63 O GLN A 5 4.517 9.304 -5.824 1.00 0.00 O ATOM 64 CB GLN A 5 2.545 8.799 -3.045 1.00 0.00 C ATOM 65 CG GLN A 5 3.853 8.185 -2.511 1.00 0.00 C ATOM 66 CD GLN A 5 4.889 9.228 -2.078 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.630 10.096 -1.250 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.093 9.193 -2.609 1.00 0.00 N ATOM 0 H GLN A 5 0.703 9.513 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 5 3.402 10.525 -3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.076 9.378 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.856 7.995 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.622 7.541 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.289 7.551 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.326 8.478 -3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.793 9.880 -2.331 1.00 0.00 H new ATOM 77 N CYS A 6 2.723 7.962 -6.010 1.00 0.00 N ATOM 78 CA CYS A 6 3.301 7.052 -7.006 1.00 0.00 C ATOM 79 C CYS A 6 3.619 7.692 -8.366 1.00 0.00 C ATOM 80 O CYS A 6 4.507 7.206 -9.068 1.00 0.00 O ATOM 81 CB CYS A 6 2.323 5.889 -7.218 1.00 0.00 C ATOM 82 SG CYS A 6 2.174 4.695 -5.863 1.00 0.00 S ATOM 0 H CYS A 6 1.748 7.758 -5.791 1.00 0.00 H new ATOM 0 HA CYS A 6 4.261 6.728 -6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.335 6.306 -7.414 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.625 5.349 -8.116 1.00 0.00 H new ATOM 87 N CYS A 7 2.884 8.735 -8.767 1.00 0.00 N ATOM 88 CA CYS A 7 2.903 9.255 -10.148 1.00 0.00 C ATOM 89 C CYS A 7 3.961 10.349 -10.363 1.00 0.00 C ATOM 90 O CYS A 7 4.686 10.323 -11.361 1.00 0.00 O ATOM 91 CB CYS A 7 1.496 9.759 -10.506 1.00 0.00 C ATOM 92 SG CYS A 7 1.200 10.155 -12.253 1.00 0.00 S ATOM 0 H CYS A 7 2.257 9.246 -8.146 1.00 0.00 H new ATOM 0 HA CYS A 7 3.187 8.441 -10.815 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.774 9.002 -10.200 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.292 10.651 -9.914 1.00 0.00 H new ATOM 97 N THR A 8 4.049 11.307 -9.430 1.00 0.00 N ATOM 98 CA THR A 8 4.957 12.468 -9.463 1.00 0.00 C ATOM 99 C THR A 8 6.294 12.134 -8.812 1.00 0.00 C ATOM 100 O THR A 8 7.344 12.269 -9.435 1.00 0.00 O ATOM 101 CB THR A 8 4.300 13.665 -8.768 1.00 0.00 C ATOM 102 OG1 THR A 8 3.762 13.246 -7.528 1.00 0.00 O ATOM 103 CG2 THR A 8 3.165 14.242 -9.615 1.00 0.00 C ATOM 0 H THR A 8 3.465 11.296 -8.594 1.00 0.00 H new ATOM 0 HA THR A 8 5.150 12.728 -10.504 1.00 0.00 H new ATOM 0 HB THR A 8 5.060 14.433 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.342 14.009 -7.079 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.718 15.090 -9.096 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.560 14.572 -10.576 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.407 13.476 -9.778 1.00 0.00 H new ATOM 111 N SER A 9 6.254 11.647 -7.579 1.00 0.00 N ATOM 112 CA SER A 9 7.373 10.972 -6.912 1.00 0.00 C ATOM 113 C SER A 9 7.361 9.459 -7.230 1.00 0.00 C ATOM 114 O SER A 9 6.775 9.027 -8.227 1.00 0.00 O ATOM 115 CB SER A 9 7.320 11.291 -5.406 1.00 0.00 C ATOM 116 OG SER A 9 8.534 10.923 -4.762 1.00 0.00 O ATOM 0 H SER A 9 5.421 11.710 -6.994 1.00 0.00 H new ATOM 0 HA SER A 9 8.327 11.341 -7.288 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.137 12.356 -5.263 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.486 10.760 -4.948 1.00 0.00 H new ATOM 0 HG SER A 9 8.476 11.137 -3.807 1.00 0.00 H new ATOM 122 N ILE A 10 8.040 8.647 -6.418 1.00 0.00 N ATOM 123 CA ILE A 10 8.055 7.181 -6.521 1.00 0.00 C ATOM 124 C ILE A 10 7.199 6.519 -5.430 1.00 0.00 C ATOM 125 O ILE A 10 6.811 7.153 -4.444 1.00 0.00 O ATOM 126 CB ILE A 10 9.508 6.643 -6.556 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.432 7.035 -5.377 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.193 7.083 -7.860 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.052 6.420 -4.024 1.00 0.00 C ATOM 0 H ILE A 10 8.611 8.997 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 10 7.592 6.906 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 10 9.380 5.563 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.452 6.738 -5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.430 8.121 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.214 6.703 -7.881 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.641 6.687 -8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.210 8.172 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.757 6.753 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.046 6.736 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.083 5.333 -4.097 1.00 0.00 H new ATOM 141 N CYS A 11 6.935 5.219 -5.571 1.00 0.00 N ATOM 142 CA CYS A 11 6.386 4.379 -4.501 1.00 0.00 C ATOM 143 C CYS A 11 6.882 2.928 -4.590 1.00 0.00 C ATOM 144 O CYS A 11 7.380 2.484 -5.629 1.00 0.00 O ATOM 145 CB CYS A 11 4.855 4.494 -4.486 1.00 0.00 C ATOM 146 SG CYS A 11 3.977 3.747 -5.882 1.00 0.00 S ATOM 0 H CYS A 11 7.098 4.712 -6.441 1.00 0.00 H new ATOM 0 HA CYS A 11 6.756 4.745 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.487 4.037 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.592 5.551 -4.444 1.00 0.00 H new ATOM 151 N SER A 12 6.789 2.201 -3.478 1.00 0.00 N ATOM 152 CA SER A 12 7.371 0.857 -3.310 1.00 0.00 C ATOM 153 C SER A 12 6.299 -0.239 -3.327 1.00 0.00 C ATOM 154 O SER A 12 5.156 0.009 -2.928 1.00 0.00 O ATOM 155 CB SER A 12 8.145 0.777 -1.982 1.00 0.00 C ATOM 156 OG SER A 12 9.042 1.869 -1.823 1.00 0.00 O ATOM 0 H SER A 12 6.298 2.531 -2.647 1.00 0.00 H new ATOM 0 HA SER A 12 8.045 0.692 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.440 0.763 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.702 -0.159 -1.943 1.00 0.00 H new ATOM 0 HG SER A 12 9.513 1.784 -0.968 1.00 0.00 H new ATOM 162 N LEU A 13 6.654 -1.476 -3.700 1.00 0.00 N ATOM 163 CA LEU A 13 5.710 -2.602 -3.728 1.00 0.00 C ATOM 164 C LEU A 13 5.132 -2.904 -2.337 1.00 0.00 C ATOM 165 O LEU A 13 3.956 -3.236 -2.204 1.00 0.00 O ATOM 166 CB LEU A 13 6.403 -3.845 -4.310 1.00 0.00 C ATOM 167 CG LEU A 13 6.999 -3.697 -5.730 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.406 -5.084 -6.252 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.052 -3.038 -6.746 1.00 0.00 C ATOM 0 H LEU A 13 7.600 -1.724 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 13 4.872 -2.323 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.204 -4.139 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.682 -4.663 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 13 7.858 -3.033 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.827 -4.987 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.151 -5.519 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.529 -5.731 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.547 -2.972 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.146 -3.637 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.791 -2.037 -6.404 1.00 0.00 H new ATOM 181 N TYR A 14 5.927 -2.701 -1.286 1.00 0.00 N ATOM 182 CA TYR A 14 5.477 -2.778 0.108 1.00 0.00 C ATOM 183 C TYR A 14 4.373 -1.761 0.456 1.00 0.00 C ATOM 184 O TYR A 14 3.491 -2.044 1.266 1.00 0.00 O ATOM 185 CB TYR A 14 6.679 -2.530 1.030 1.00 0.00 C ATOM 186 CG TYR A 14 7.840 -3.498 0.890 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.663 -4.862 1.199 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.108 -3.028 0.491 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.749 -5.754 1.117 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.201 -3.913 0.411 1.00 0.00 C ATOM 191 CZ TYR A 14 10.022 -5.278 0.726 1.00 0.00 C ATOM 192 OH TYR A 14 11.081 -6.135 0.641 1.00 0.00 O ATOM 0 H TYR A 14 6.917 -2.475 -1.379 1.00 0.00 H new ATOM 0 HA TYR A 14 5.052 -3.772 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.049 -1.521 0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.331 -2.559 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.691 -5.224 1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.242 -1.985 0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.610 -6.799 1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.172 -3.549 0.110 1.00 0.00 H new ATOM 0 HH TYR A 14 11.879 -5.642 0.357 1.00 0.00 H new ATOM 202 N GLN A 15 4.402 -0.586 -0.180 1.00 0.00 N ATOM 203 CA GLN A 15 3.394 0.465 -0.022 1.00 0.00 C ATOM 204 C GLN A 15 2.163 0.181 -0.892 1.00 0.00 C ATOM 205 O GLN A 15 1.051 0.479 -0.464 1.00 0.00 O ATOM 206 CB GLN A 15 3.989 1.850 -0.348 1.00 0.00 C ATOM 207 CG GLN A 15 5.156 2.263 0.570 1.00 0.00 C ATOM 208 CD GLN A 15 4.754 2.355 2.045 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.020 1.466 2.843 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.070 3.404 2.459 1.00 0.00 N ATOM 0 H GLN A 15 5.144 -0.334 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 15 3.075 0.470 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.335 1.851 -1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.200 2.599 -0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.967 1.542 0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.543 3.228 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.840 4.153 1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.771 3.466 3.432 1.00 0.00 H new ATOM 219 N LEU A 16 2.320 -0.461 -2.060 1.00 0.00 N ATOM 220 CA LEU A 16 1.192 -0.978 -2.844 1.00 0.00 C ATOM 221 C LEU A 16 0.446 -2.099 -2.097 1.00 0.00 C ATOM 222 O LEU A 16 -0.783 -2.146 -2.143 1.00 0.00 O ATOM 223 CB LEU A 16 1.681 -1.473 -4.216 1.00 0.00 C ATOM 224 CG LEU A 16 2.331 -0.414 -5.127 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.636 -1.059 -6.482 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.449 0.823 -5.340 1.00 0.00 C ATOM 0 H LEU A 16 3.231 -0.635 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 16 0.487 -0.161 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.401 -2.275 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.833 -1.908 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 16 3.240 -0.070 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.097 -0.322 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.319 -1.897 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.710 -1.417 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.964 1.530 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.508 0.524 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.247 1.295 -4.379 1.00 0.00 H new ATOM 238 N GLU A 17 1.166 -2.968 -1.375 1.00 0.00 N ATOM 239 CA GLU A 17 0.571 -4.069 -0.606 1.00 0.00 C ATOM 240 C GLU A 17 -0.360 -3.585 0.530 1.00 0.00 C ATOM 241 O GLU A 17 -1.328 -4.267 0.880 1.00 0.00 O ATOM 242 CB GLU A 17 1.669 -5.012 -0.084 1.00 0.00 C ATOM 243 CG GLU A 17 1.068 -6.290 0.518 1.00 0.00 C ATOM 244 CD GLU A 17 2.092 -7.418 0.692 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.176 -7.198 1.284 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.780 -8.555 0.262 1.00 0.00 O ATOM 0 H GLU A 17 2.183 -2.927 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.070 -4.627 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.344 -5.274 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.265 -4.498 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.629 -6.055 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.258 -6.639 -0.123 1.00 0.00 H new ATOM 253 N ASN A 18 -0.134 -2.381 1.065 1.00 0.00 N ATOM 254 CA ASN A 18 -1.030 -1.741 2.043 1.00 0.00 C ATOM 255 C ASN A 18 -2.467 -1.545 1.505 1.00 0.00 C ATOM 256 O ASN A 18 -3.418 -1.479 2.287 1.00 0.00 O ATOM 257 CB ASN A 18 -0.410 -0.397 2.465 1.00 0.00 C ATOM 258 CG ASN A 18 -1.210 0.303 3.559 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.170 -0.080 4.722 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.966 1.334 3.223 1.00 0.00 N ATOM 0 H ASN A 18 0.682 -1.815 0.832 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.126 -2.401 2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.608 -0.566 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.343 0.256 1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.519 1.814 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.996 1.650 2.254 1.00 0.00 H new ATOM 267 N TYR A 19 -2.632 -1.467 0.178 1.00 0.00 N ATOM 268 CA TYR A 19 -3.904 -1.257 -0.524 1.00 0.00 C ATOM 269 C TYR A 19 -4.481 -2.543 -1.146 1.00 0.00 C ATOM 270 O TYR A 19 -5.471 -2.487 -1.876 1.00 0.00 O ATOM 271 CB TYR A 19 -3.689 -0.148 -1.560 1.00 0.00 C ATOM 272 CG TYR A 19 -3.503 1.217 -0.920 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.217 1.652 -0.546 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.621 2.026 -0.637 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.044 2.872 0.133 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.455 3.254 0.026 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.166 3.677 0.424 1.00 0.00 C ATOM 278 OH TYR A 19 -3.002 4.858 1.085 1.00 0.00 O ATOM 0 H TYR A 19 -1.845 -1.553 -0.465 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.662 -0.952 0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.813 -0.385 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.544 -0.116 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.356 1.044 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.608 1.702 -0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.056 3.191 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.314 3.876 0.232 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.874 5.290 1.205 1.00 0.00 H new ATOM 288 N CYS A 20 -3.915 -3.715 -0.846 1.00 0.00 N ATOM 289 CA CYS A 20 -4.583 -4.996 -1.109 1.00 0.00 C ATOM 290 C CYS A 20 -5.855 -5.156 -0.257 1.00 0.00 C ATOM 291 O CYS A 20 -5.919 -4.694 0.889 1.00 0.00 O ATOM 292 CB CYS A 20 -3.632 -6.179 -0.887 1.00 0.00 C ATOM 293 SG CYS A 20 -2.120 -6.172 -1.892 1.00 0.00 S ATOM 0 H CYS A 20 -2.993 -3.805 -0.419 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.880 -4.993 -2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.347 -6.200 0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.176 -7.102 -1.088 1.00 0.00 H new ATOM 298 N ASN A 21 -6.859 -5.836 -0.815 1.00 0.00 N ATOM 299 CA ASN A 21 -8.124 -6.184 -0.160 1.00 0.00 C ATOM 300 C ASN A 21 -7.971 -7.334 0.863 1.00 0.00 C ATOM 301 O ASN A 21 -8.567 -7.231 1.957 1.00 0.00 O ATOM 302 CB ASN A 21 -9.164 -6.467 -1.265 1.00 0.00 C ATOM 303 CG ASN A 21 -10.418 -7.169 -0.770 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.335 -6.560 -0.231 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.497 -8.468 -0.938 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.256 -8.318 0.567 1.00 0.00 O ATOM 0 H ASN A 21 -6.812 -6.174 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.473 -5.349 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.448 -5.524 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.699 -7.078 -2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.323 -8.974 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.732 -8.972 -1.387 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.336 -6.026 -2.480 1.00 0.00 N ATOM 315 CA PHE B 1 12.096 -4.816 -2.884 1.00 0.00 C ATOM 316 C PHE B 1 11.366 -4.079 -4.028 1.00 0.00 C ATOM 317 O PHE B 1 10.197 -4.374 -4.270 1.00 0.00 O ATOM 318 CB PHE B 1 13.565 -5.196 -3.193 1.00 0.00 C ATOM 319 CG PHE B 1 14.513 -4.026 -3.392 1.00 0.00 C ATOM 320 CD1 PHE B 1 14.702 -3.082 -2.363 1.00 0.00 C ATOM 321 CD2 PHE B 1 15.155 -3.845 -4.631 1.00 0.00 C ATOM 322 CE1 PHE B 1 15.520 -1.959 -2.575 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.969 -2.717 -4.845 1.00 0.00 C ATOM 324 CZ PHE B 1 16.150 -1.772 -3.820 1.00 0.00 C ATOM 0 H1 PHE B 1 11.202 -6.023 -1.449 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.408 -6.026 -2.950 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.865 -6.877 -2.758 1.00 0.00 H new ATOM 0 HA PHE B 1 12.140 -4.100 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.942 -5.813 -2.377 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.582 -5.812 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.217 -3.222 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE B 1 15.023 -4.572 -5.418 1.00 0.00 H new ATOM 0 HE1 PHE B 1 15.665 -1.239 -1.783 1.00 0.00 H new ATOM 0 HE2 PHE B 1 16.456 -2.577 -5.799 1.00 0.00 H new ATOM 0 HZ PHE B 1 16.771 -0.904 -3.987 1.00 0.00 H new ATOM 336 N VAL B 2 12.009 -3.117 -4.711 1.00 0.00 N ATOM 337 CA VAL B 2 11.564 -2.367 -5.902 1.00 0.00 C ATOM 338 C VAL B 2 10.707 -1.156 -5.502 1.00 0.00 C ATOM 339 O VAL B 2 9.713 -1.270 -4.785 1.00 0.00 O ATOM 340 CB VAL B 2 10.870 -3.216 -7.003 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.533 -2.364 -8.241 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.776 -4.377 -7.451 1.00 0.00 C ATOM 0 H VAL B 2 12.938 -2.816 -4.418 1.00 0.00 H new ATOM 0 HA VAL B 2 12.484 -2.018 -6.371 1.00 0.00 H new ATOM 0 HB VAL B 2 9.950 -3.605 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.049 -2.989 -8.992 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.861 -1.555 -7.954 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.450 -1.945 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.269 -4.957 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.708 -3.978 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.993 -5.019 -6.598 1.00 0.00 H new ATOM 352 N ASN B 3 11.107 0.009 -6.013 1.00 0.00 N ATOM 353 CA ASN B 3 10.352 1.259 -5.964 1.00 0.00 C ATOM 354 C ASN B 3 10.509 2.042 -7.276 1.00 0.00 C ATOM 355 O ASN B 3 11.587 2.055 -7.879 1.00 0.00 O ATOM 356 CB ASN B 3 10.742 2.094 -4.735 1.00 0.00 C ATOM 357 CG ASN B 3 12.136 2.710 -4.830 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.301 3.851 -5.245 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.174 1.979 -4.467 1.00 0.00 N ATOM 0 H ASN B 3 12.002 0.110 -6.491 1.00 0.00 H new ATOM 0 HA ASN B 3 9.294 1.019 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.010 2.891 -4.601 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.693 1.463 -3.847 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.116 2.364 -4.532 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.033 1.030 -4.122 1.00 0.00 H new ATOM 366 N GLN B 4 9.413 2.633 -7.753 1.00 0.00 N ATOM 367 CA GLN B 4 9.274 3.103 -9.137 1.00 0.00 C ATOM 368 C GLN B 4 8.269 4.254 -9.251 1.00 0.00 C ATOM 369 O GLN B 4 7.447 4.466 -8.359 1.00 0.00 O ATOM 370 CB GLN B 4 8.806 1.922 -10.030 1.00 0.00 C ATOM 371 CG GLN B 4 9.847 0.810 -10.285 1.00 0.00 C ATOM 372 CD GLN B 4 11.085 1.268 -11.068 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.164 2.369 -11.603 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.103 0.435 -11.186 1.00 0.00 N ATOM 0 H GLN B 4 8.584 2.802 -7.183 1.00 0.00 H new ATOM 0 HA GLN B 4 10.245 3.474 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.927 1.471 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.490 2.324 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.168 0.403 -9.326 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.367 -0.002 -10.831 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.061 -0.486 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.931 0.713 -11.713 1.00 0.00 H new ATOM 383 N HIS B 5 8.303 4.981 -10.370 1.00 0.00 N ATOM 384 CA HIS B 5 7.189 5.836 -10.791 1.00 0.00 C ATOM 385 C HIS B 5 6.098 4.961 -11.434 1.00 0.00 C ATOM 386 O HIS B 5 6.379 4.161 -12.335 1.00 0.00 O ATOM 387 CB HIS B 5 7.661 6.890 -11.807 1.00 0.00 C ATOM 388 CG HIS B 5 8.703 7.860 -11.310 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.507 8.900 -10.431 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.008 7.925 -11.722 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.662 9.575 -10.317 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.617 9.017 -11.087 1.00 0.00 N ATOM 0 H HIS B 5 9.099 4.994 -11.008 1.00 0.00 H new ATOM 0 HA HIS B 5 6.793 6.352 -9.916 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.060 6.373 -12.680 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.793 7.458 -12.142 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.635 9.120 -9.949 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.486 7.251 -12.417 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.806 10.445 -9.694 1.00 0.00 H new ATOM 400 N LEU B 6 4.851 5.115 -10.987 1.00 0.00 N ATOM 401 CA LEU B 6 3.694 4.309 -11.384 1.00 0.00 C ATOM 402 C LEU B 6 2.450 5.202 -11.419 1.00 0.00 C ATOM 403 O LEU B 6 2.190 5.953 -10.481 1.00 0.00 O ATOM 404 CB LEU B 6 3.512 3.159 -10.371 1.00 0.00 C ATOM 405 CG LEU B 6 4.558 2.029 -10.434 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.365 1.103 -9.227 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.442 1.215 -11.731 1.00 0.00 C ATOM 0 H LEU B 6 4.608 5.837 -10.308 1.00 0.00 H new ATOM 0 HA LEU B 6 3.848 3.884 -12.376 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.523 3.582 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.525 2.722 -10.522 1.00 0.00 H new ATOM 0 HG LEU B 6 5.550 2.481 -10.415 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.101 0.300 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.494 1.673 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.362 0.677 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.197 0.429 -11.736 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.450 0.766 -11.792 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.596 1.871 -12.587 1.00 0.00 H new ATOM 419 N CYS B 7 1.658 5.124 -12.489 1.00 0.00 N ATOM 420 CA CYS B 7 0.476 5.973 -12.671 1.00 0.00 C ATOM 421 C CYS B 7 -0.579 5.301 -13.553 1.00 0.00 C ATOM 422 O CYS B 7 -0.259 4.447 -14.384 1.00 0.00 O ATOM 423 CB CYS B 7 0.925 7.324 -13.240 1.00 0.00 C ATOM 424 SG CYS B 7 -0.137 8.734 -12.848 1.00 0.00 S ATOM 0 H CYS B 7 1.817 4.470 -13.256 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.004 6.133 -11.706 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.929 7.536 -12.873 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.994 7.236 -14.324 1.00 0.00 H new ATOM 429 N GLY B 8 -1.839 5.677 -13.342 1.00 0.00 N ATOM 430 CA GLY B 8 -2.998 5.194 -14.107 1.00 0.00 C ATOM 431 C GLY B 8 -3.056 3.672 -14.234 1.00 0.00 C ATOM 432 O GLY B 8 -2.966 2.940 -13.247 1.00 0.00 O ATOM 0 H GLY B 8 -2.094 6.345 -12.615 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.911 5.545 -13.627 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.973 5.633 -15.104 1.00 0.00 H new ATOM 436 N SER B 9 -3.154 3.193 -15.472 1.00 0.00 N ATOM 437 CA SER B 9 -3.231 1.765 -15.815 1.00 0.00 C ATOM 438 C SER B 9 -1.998 0.975 -15.351 1.00 0.00 C ATOM 439 O SER B 9 -2.115 -0.184 -14.968 1.00 0.00 O ATOM 440 CB SER B 9 -3.381 1.614 -17.340 1.00 0.00 C ATOM 441 OG SER B 9 -4.443 2.417 -17.851 1.00 0.00 O ATOM 0 H SER B 9 -3.183 3.800 -16.291 1.00 0.00 H new ATOM 0 HA SER B 9 -4.097 1.355 -15.295 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.447 1.895 -17.826 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.566 0.568 -17.585 1.00 0.00 H new ATOM 0 HG SER B 9 -4.507 2.296 -18.821 1.00 0.00 H new ATOM 447 N HIS B 10 -0.817 1.595 -15.314 1.00 0.00 N ATOM 448 CA HIS B 10 0.416 0.951 -14.852 1.00 0.00 C ATOM 449 C HIS B 10 0.432 0.786 -13.322 1.00 0.00 C ATOM 450 O HIS B 10 0.897 -0.235 -12.815 1.00 0.00 O ATOM 451 CB HIS B 10 1.621 1.764 -15.349 1.00 0.00 C ATOM 452 CG HIS B 10 1.711 1.853 -16.856 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.127 0.856 -17.713 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.383 2.933 -17.629 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.041 1.326 -18.972 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.588 2.594 -18.974 1.00 0.00 N ATOM 0 H HIS B 10 -0.687 2.564 -15.605 1.00 0.00 H new ATOM 0 HA HIS B 10 0.470 -0.055 -15.267 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.564 2.771 -14.937 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.536 1.314 -14.965 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.027 3.885 -17.265 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.299 0.764 -19.857 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.427 3.187 -19.788 1.00 0.00 H new ATOM 464 N LEU B 11 -0.130 1.747 -12.573 1.00 0.00 N ATOM 465 CA LEU B 11 -0.332 1.625 -11.125 1.00 0.00 C ATOM 466 C LEU B 11 -1.400 0.568 -10.812 1.00 0.00 C ATOM 467 O LEU B 11 -1.177 -0.270 -9.943 1.00 0.00 O ATOM 468 CB LEU B 11 -0.660 3.016 -10.555 1.00 0.00 C ATOM 469 CG LEU B 11 -0.874 3.096 -9.030 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.293 2.507 -8.228 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.058 4.568 -8.629 1.00 0.00 C ATOM 0 H LEU B 11 -0.458 2.633 -12.958 1.00 0.00 H new ATOM 0 HA LEU B 11 0.578 1.273 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.149 3.695 -10.823 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.561 3.384 -11.047 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.759 2.504 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.082 2.593 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.420 1.456 -8.489 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.207 3.052 -8.462 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.210 4.635 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.169 5.134 -8.906 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.926 4.980 -9.144 1.00 0.00 H new ATOM 483 N VAL B 12 -2.510 0.557 -11.556 1.00 0.00 N ATOM 484 CA VAL B 12 -3.553 -0.488 -11.463 1.00 0.00 C ATOM 485 C VAL B 12 -2.980 -1.887 -11.749 1.00 0.00 C ATOM 486 O VAL B 12 -3.293 -2.837 -11.035 1.00 0.00 O ATOM 487 CB VAL B 12 -4.748 -0.168 -12.395 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.743 -1.329 -12.566 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.530 1.046 -11.865 1.00 0.00 C ATOM 0 H VAL B 12 -2.719 1.276 -12.248 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.922 -0.492 -10.437 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.301 0.033 -13.369 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.549 -1.022 -13.233 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.228 -2.190 -12.991 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.158 -1.598 -11.595 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.367 1.259 -12.531 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.907 0.828 -10.866 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.871 1.913 -11.822 1.00 0.00 H new ATOM 499 N GLU B 13 -2.102 -2.013 -12.750 1.00 0.00 N ATOM 500 CA GLU B 13 -1.402 -3.262 -13.072 1.00 0.00 C ATOM 501 C GLU B 13 -0.428 -3.686 -11.964 1.00 0.00 C ATOM 502 O GLU B 13 -0.409 -4.850 -11.572 1.00 0.00 O ATOM 503 CB GLU B 13 -0.664 -3.098 -14.409 1.00 0.00 C ATOM 504 CG GLU B 13 -0.044 -4.403 -14.916 1.00 0.00 C ATOM 505 CD GLU B 13 0.538 -4.213 -16.324 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.646 -3.638 -16.454 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.109 -4.638 -17.312 1.00 0.00 O ATOM 0 H GLU B 13 -1.854 -1.240 -13.368 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.145 -4.055 -13.154 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.360 -2.718 -15.157 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.121 -2.350 -14.295 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.741 -4.729 -14.233 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.799 -5.189 -14.932 1.00 0.00 H new ATOM 514 N ALA B 14 0.359 -2.752 -11.423 1.00 0.00 N ATOM 515 CA ALA B 14 1.284 -3.027 -10.318 1.00 0.00 C ATOM 516 C ALA B 14 0.548 -3.501 -9.051 1.00 0.00 C ATOM 517 O ALA B 14 0.942 -4.507 -8.454 1.00 0.00 O ATOM 518 CB ALA B 14 2.126 -1.771 -10.068 1.00 0.00 C ATOM 0 H ALA B 14 0.373 -1.782 -11.739 1.00 0.00 H new ATOM 0 HA ALA B 14 1.943 -3.851 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.821 -1.956 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.686 -1.523 -10.970 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.471 -0.940 -9.807 1.00 0.00 H new ATOM 524 N LEU B 15 -0.557 -2.838 -8.684 1.00 0.00 N ATOM 525 CA LEU B 15 -1.455 -3.265 -7.605 1.00 0.00 C ATOM 526 C LEU B 15 -1.968 -4.690 -7.843 1.00 0.00 C ATOM 527 O LEU B 15 -1.807 -5.544 -6.976 1.00 0.00 O ATOM 528 CB LEU B 15 -2.623 -2.271 -7.496 1.00 0.00 C ATOM 529 CG LEU B 15 -2.242 -0.919 -6.869 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.282 0.138 -7.266 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.174 -1.017 -5.336 1.00 0.00 C ATOM 0 H LEU B 15 -0.856 -1.975 -9.137 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.902 -3.274 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.030 -2.095 -8.492 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.417 -2.724 -6.902 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.257 -0.635 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.014 1.097 -6.823 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.307 0.234 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.265 -0.166 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.903 -0.046 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.147 -1.319 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.425 -1.756 -5.052 1.00 0.00 H new ATOM 543 N TYR B 16 -2.503 -4.982 -9.033 1.00 0.00 N ATOM 544 CA TYR B 16 -2.949 -6.330 -9.405 1.00 0.00 C ATOM 545 C TYR B 16 -1.840 -7.390 -9.275 1.00 0.00 C ATOM 546 O TYR B 16 -2.096 -8.486 -8.774 1.00 0.00 O ATOM 547 CB TYR B 16 -3.523 -6.303 -10.831 1.00 0.00 C ATOM 548 CG TYR B 16 -3.887 -7.673 -11.379 1.00 0.00 C ATOM 549 CD1 TYR B 16 -4.972 -8.390 -10.836 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.101 -8.257 -12.392 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.278 -9.679 -11.312 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.403 -9.546 -12.874 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.495 -10.261 -12.333 1.00 0.00 C ATOM 554 OH TYR B 16 -4.788 -11.504 -12.802 1.00 0.00 O ATOM 0 H TYR B 16 -2.640 -4.288 -9.768 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.726 -6.626 -8.701 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.411 -5.671 -10.842 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.794 -5.839 -11.496 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.570 -7.949 -10.052 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.262 -7.714 -12.801 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.113 -10.224 -10.896 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.801 -9.987 -13.655 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.148 -11.748 -13.503 1.00 0.00 H new ATOM 564 N LEU B 17 -0.604 -7.062 -9.668 1.00 0.00 N ATOM 565 CA LEU B 17 0.541 -7.981 -9.610 1.00 0.00 C ATOM 566 C LEU B 17 1.120 -8.153 -8.195 1.00 0.00 C ATOM 567 O LEU B 17 1.544 -9.257 -7.848 1.00 0.00 O ATOM 568 CB LEU B 17 1.620 -7.513 -10.605 1.00 0.00 C ATOM 569 CG LEU B 17 1.242 -7.686 -12.092 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.311 -7.005 -12.961 1.00 0.00 C ATOM 571 CD2 LEU B 17 1.113 -9.161 -12.502 1.00 0.00 C ATOM 0 H LEU B 17 -0.367 -6.142 -10.039 1.00 0.00 H new ATOM 0 HA LEU B 17 0.181 -8.970 -9.894 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.836 -6.461 -10.419 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.539 -8.066 -10.411 1.00 0.00 H new ATOM 0 HG LEU B 17 0.266 -7.225 -12.241 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.053 -7.122 -14.014 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.359 -5.944 -12.715 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.281 -7.465 -12.772 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.846 -9.223 -13.557 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.063 -9.669 -12.338 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.338 -9.639 -11.903 1.00 0.00 H new ATOM 583 N VAL B 18 1.091 -7.110 -7.367 1.00 0.00 N ATOM 584 CA VAL B 18 1.473 -7.171 -5.942 1.00 0.00 C ATOM 585 C VAL B 18 0.442 -7.968 -5.135 1.00 0.00 C ATOM 586 O VAL B 18 0.814 -8.814 -4.321 1.00 0.00 O ATOM 587 CB VAL B 18 1.663 -5.754 -5.339 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.725 -5.733 -3.799 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.969 -5.138 -5.865 1.00 0.00 C ATOM 0 H VAL B 18 0.798 -6.180 -7.665 1.00 0.00 H new ATOM 0 HA VAL B 18 2.432 -7.686 -5.883 1.00 0.00 H new ATOM 0 HB VAL B 18 0.786 -5.184 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.859 -4.708 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.797 -6.134 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.563 -6.342 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.099 -4.143 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.810 -5.769 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.925 -5.065 -6.952 1.00 0.00 H new ATOM 599 N CYS B 19 -0.850 -7.721 -5.362 1.00 0.00 N ATOM 600 CA CYS B 19 -1.924 -8.302 -4.550 1.00 0.00 C ATOM 601 C CYS B 19 -2.349 -9.699 -5.013 1.00 0.00 C ATOM 602 O CYS B 19 -2.702 -10.531 -4.175 1.00 0.00 O ATOM 603 CB CYS B 19 -3.111 -7.334 -4.521 1.00 0.00 C ATOM 604 SG CYS B 19 -2.712 -5.726 -3.786 1.00 0.00 S ATOM 0 H CYS B 19 -1.182 -7.114 -6.112 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.538 -8.442 -3.540 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.470 -7.181 -5.539 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.927 -7.789 -3.960 1.00 0.00 H new ATOM 609 N GLY B 20 -2.295 -9.975 -6.317 1.00 0.00 N ATOM 610 CA GLY B 20 -2.710 -11.249 -6.907 1.00 0.00 C ATOM 611 C GLY B 20 -4.210 -11.495 -6.723 1.00 0.00 C ATOM 612 O GLY B 20 -5.028 -10.593 -6.910 1.00 0.00 O ATOM 0 H GLY B 20 -1.954 -9.305 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.468 -11.254 -7.970 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.149 -12.063 -6.448 1.00 0.00 H new ATOM 616 N GLU B 21 -4.565 -12.722 -6.329 1.00 0.00 N ATOM 617 CA GLU B 21 -5.948 -13.166 -6.105 1.00 0.00 C ATOM 618 C GLU B 21 -6.653 -12.427 -4.941 1.00 0.00 C ATOM 619 O GLU B 21 -7.884 -12.435 -4.863 1.00 0.00 O ATOM 620 CB GLU B 21 -5.930 -14.691 -5.887 1.00 0.00 C ATOM 621 CG GLU B 21 -7.308 -15.355 -5.991 1.00 0.00 C ATOM 622 CD GLU B 21 -7.174 -16.887 -5.982 1.00 0.00 C ATOM 623 OE1 GLU B 21 -7.179 -17.493 -4.882 1.00 0.00 O ATOM 624 OE2 GLU B 21 -7.070 -17.497 -7.075 1.00 0.00 O ATOM 0 H GLU B 21 -3.880 -13.456 -6.151 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.539 -12.916 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.264 -15.144 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.511 -14.902 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.935 -15.035 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -7.804 -15.034 -6.907 1.00 0.00 H new ATOM 631 N ARG B 22 -5.901 -11.750 -4.056 1.00 0.00 N ATOM 632 CA ARG B 22 -6.448 -11.007 -2.908 1.00 0.00 C ATOM 633 C ARG B 22 -7.400 -9.863 -3.309 1.00 0.00 C ATOM 634 O ARG B 22 -8.344 -9.562 -2.571 1.00 0.00 O ATOM 635 CB ARG B 22 -5.300 -10.437 -2.053 1.00 0.00 C ATOM 636 CG ARG B 22 -4.453 -11.537 -1.388 1.00 0.00 C ATOM 637 CD ARG B 22 -3.331 -10.964 -0.510 1.00 0.00 C ATOM 638 NE ARG B 22 -2.181 -10.486 -1.303 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.058 -9.969 -0.811 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.874 -9.748 0.470 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.044 -9.660 -1.585 1.00 0.00 N ATOM 0 H ARG B 22 -4.884 -11.703 -4.119 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.037 -11.724 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.658 -9.819 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.714 -9.787 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.099 -12.170 -0.780 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.018 -12.173 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.725 -10.141 0.086 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.994 -11.730 0.188 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.254 -10.559 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.611 -9.975 1.138 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.006 -9.350 0.798 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.105 -9.815 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.805 -9.265 -1.180 1.00 0.00 H new ATOM 655 N GLY B 23 -7.161 -9.219 -4.462 1.00 0.00 N ATOM 656 CA GLY B 23 -7.827 -7.974 -4.882 1.00 0.00 C ATOM 657 C GLY B 23 -7.135 -6.728 -4.318 1.00 0.00 C ATOM 658 O GLY B 23 -6.225 -6.832 -3.493 1.00 0.00 O ATOM 0 H GLY B 23 -6.483 -9.557 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.839 -7.920 -5.971 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.866 -7.991 -4.553 1.00 0.00 H new ATOM 662 N PHE B 24 -7.569 -5.538 -4.742 1.00 0.00 N ATOM 663 CA PHE B 24 -6.886 -4.268 -4.457 1.00 0.00 C ATOM 664 C PHE B 24 -7.789 -3.034 -4.587 1.00 0.00 C ATOM 665 O PHE B 24 -8.885 -3.086 -5.152 1.00 0.00 O ATOM 666 CB PHE B 24 -5.650 -4.141 -5.369 1.00 0.00 C ATOM 667 CG PHE B 24 -5.975 -3.989 -6.847 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.143 -5.130 -7.655 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.137 -2.707 -7.409 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.488 -4.986 -9.012 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.464 -2.566 -8.767 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.646 -3.706 -9.567 1.00 0.00 C ATOM 0 H PHE B 24 -8.415 -5.425 -5.300 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.584 -4.295 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.063 -3.281 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.023 -5.022 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.007 -6.115 -7.234 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.009 -1.829 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.631 -5.862 -9.627 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.576 -1.581 -9.196 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.908 -3.598 -10.609 1.00 0.00 H new ATOM 682 N PHE B 25 -7.280 -1.912 -4.073 1.00 0.00 N ATOM 683 CA PHE B 25 -7.891 -0.585 -4.077 1.00 0.00 C ATOM 684 C PHE B 25 -6.974 0.435 -4.779 1.00 0.00 C ATOM 685 O PHE B 25 -5.751 0.284 -4.795 1.00 0.00 O ATOM 686 CB PHE B 25 -8.139 -0.179 -2.615 1.00 0.00 C ATOM 687 CG PHE B 25 -8.962 -1.163 -1.796 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.242 -1.566 -2.230 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.439 -1.693 -0.601 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.986 -2.497 -1.482 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.187 -2.617 0.152 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.459 -3.023 -0.291 1.00 0.00 C ATOM 0 H PHE B 25 -6.370 -1.908 -3.613 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.832 -0.605 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.175 -0.041 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.643 0.788 -2.604 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.653 -1.158 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.460 -1.389 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.962 -2.807 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.784 -3.015 1.071 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.029 -3.738 0.284 1.00 0.00 H new ATOM 702 N TYR B 26 -7.568 1.494 -5.337 1.00 0.00 N ATOM 703 CA TYR B 26 -6.886 2.550 -6.097 1.00 0.00 C ATOM 704 C TYR B 26 -7.526 3.926 -5.823 1.00 0.00 C ATOM 705 O TYR B 26 -8.755 4.036 -5.779 1.00 0.00 O ATOM 706 CB TYR B 26 -6.958 2.194 -7.592 1.00 0.00 C ATOM 707 CG TYR B 26 -6.455 3.260 -8.551 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.330 4.270 -9.001 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.126 3.225 -9.019 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.882 5.246 -9.910 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.682 4.180 -9.952 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.558 5.192 -10.404 1.00 0.00 C ATOM 713 OH TYR B 26 -5.130 6.101 -11.324 1.00 0.00 O ATOM 0 H TYR B 26 -8.574 1.647 -5.270 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.843 2.615 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.383 1.283 -7.757 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.994 1.967 -7.842 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.350 4.295 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.448 2.464 -8.661 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.547 6.034 -10.230 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.669 4.139 -10.324 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.152 6.069 -11.386 1.00 0.00 H new ATOM 723 N THR B 27 -6.704 4.977 -5.662 1.00 0.00 N ATOM 724 CA THR B 27 -7.144 6.354 -5.367 1.00 0.00 C ATOM 725 C THR B 27 -6.296 7.406 -6.110 1.00 0.00 C ATOM 726 O THR B 27 -5.063 7.372 -5.993 1.00 0.00 O ATOM 727 CB THR B 27 -7.124 6.643 -3.860 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.895 6.242 -3.299 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.245 5.943 -3.097 1.00 0.00 C ATOM 0 H THR B 27 -5.690 4.892 -5.735 1.00 0.00 H new ATOM 0 HA THR B 27 -8.171 6.429 -5.725 1.00 0.00 H new ATOM 0 HB THR B 27 -7.268 7.719 -3.763 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.952 6.284 -2.322 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.173 6.189 -2.038 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.209 6.274 -3.482 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.154 4.864 -3.226 1.00 0.00 H new ATOM 737 N PRO B 28 -6.934 8.356 -6.833 1.00 0.00 N ATOM 738 CA PRO B 28 -6.307 9.558 -7.396 1.00 0.00 C ATOM 739 C PRO B 28 -5.652 10.484 -6.353 1.00 0.00 C ATOM 740 O PRO B 28 -5.439 10.117 -5.198 1.00 0.00 O ATOM 741 CB PRO B 28 -7.425 10.285 -8.160 1.00 0.00 C ATOM 742 CG PRO B 28 -8.389 9.170 -8.539 1.00 0.00 C ATOM 743 CD PRO B 28 -8.307 8.258 -7.321 1.00 0.00 C ATOM 0 HA PRO B 28 -5.476 9.267 -8.038 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.909 11.039 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.040 10.798 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.400 9.542 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.085 8.660 -9.453 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.016 8.568 -6.554 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.554 7.230 -7.587 1.00 0.00 H new ATOM 751 N LYS B 29 -5.380 11.736 -6.740 1.00 0.00 N ATOM 752 CA LYS B 29 -4.951 12.825 -5.841 1.00 0.00 C ATOM 753 C LYS B 29 -6.057 13.345 -4.878 1.00 0.00 C ATOM 754 O LYS B 29 -5.921 14.414 -4.276 1.00 0.00 O ATOM 755 CB LYS B 29 -4.317 13.942 -6.692 1.00 0.00 C ATOM 756 CG LYS B 29 -5.302 14.652 -7.635 1.00 0.00 C ATOM 757 CD LYS B 29 -4.592 15.757 -8.432 1.00 0.00 C ATOM 758 CE LYS B 29 -5.588 16.456 -9.368 1.00 0.00 C ATOM 759 NZ LYS B 29 -4.940 17.535 -10.156 1.00 0.00 N ATOM 0 H LYS B 29 -5.453 12.032 -7.713 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.206 12.419 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -3.871 14.681 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -3.507 13.517 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.742 13.928 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.120 15.082 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -4.152 16.483 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -3.774 15.329 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -6.025 15.723 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -6.405 16.875 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -5.645 17.983 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -4.545 18.247 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -4.176 17.131 -10.735 1.00 0.00 H new ATOM 773 N THR B 30 -7.176 12.617 -4.778 1.00 0.00 N ATOM 774 CA THR B 30 -8.362 12.904 -3.942 1.00 0.00 C ATOM 775 C THR B 30 -8.167 12.569 -2.459 1.00 0.00 C ATOM 776 O THR B 30 -8.769 13.273 -1.619 1.00 0.00 O ATOM 777 CB THR B 30 -9.590 12.155 -4.478 1.00 0.00 C ATOM 778 OG1 THR B 30 -9.262 10.817 -4.806 1.00 0.00 O ATOM 779 CG2 THR B 30 -10.126 12.828 -5.743 1.00 0.00 C ATOM 780 OXT THR B 30 -7.409 11.628 -2.127 1.00 0.00 O ATOM 0 H THR B 30 -7.291 11.755 -5.311 1.00 0.00 H new ATOM 0 HA THR B 30 -8.516 13.981 -4.006 1.00 0.00 H new ATOM 0 HB THR B 30 -10.345 12.174 -3.692 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.059 10.358 -5.144 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.996 12.281 -6.106 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.412 13.855 -5.515 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.352 12.829 -6.511 1.00 0.00 H new TER 788 THR B 30