USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 Single : A 7 GLN : amide:sc= -2.11! C(o=-2.1!,f=-6.7!) USER MOD Single : A 11 GLN : amide:sc=-0.00381 K(o=-0.0038,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= 0.149 (180deg=-0.313) USER MOD Single : A 15 SER OG : rot -85:sc= 1.01 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.1!) USER MOD Single : B 6 MET CE :methyl 167:sc= -0.0944 (180deg=-0.448) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -4.17! C(o=-4.2!,f=-6.7!) USER MOD Single : B 12 THR OG1 : rot -14:sc= 0.524 USER MOD Single : B 13 HIS : no HE2:sc= 0.493 K(o=0.49,f=-3.5!) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= -1.37 K(o=-1.4,f=-7.7!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : B 24 ASN : amide:sc= -2.2 K(o=-2.2,f=-11!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.0602 X(o=-0.06,f=-0.35) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 4.965 22.245 -1.939 1.00 0.00 C HETATM 2 O ACE A 2 4.431 23.120 -2.621 1.00 0.00 O HETATM 3 CH3 ACE A 2 5.635 21.041 -2.589 1.00 0.00 C HETATM 0 H1 ACE A 2 6.689 21.017 -2.311 1.00 0.00 H new HETATM 0 H2 ACE A 2 5.149 20.127 -2.249 1.00 0.00 H new HETATM 0 H3 ACE A 2 5.547 21.117 -3.673 1.00 0.00 H new ATOM 7 N CYS A 3 4.999 22.281 -0.609 1.00 0.00 N ATOM 8 CA CYS A 3 4.391 23.383 0.130 1.00 0.00 C ATOM 9 C CYS A 3 5.150 23.637 1.428 1.00 0.00 C ATOM 10 O CYS A 3 5.483 24.776 1.757 1.00 0.00 O ATOM 11 CB CYS A 3 2.931 23.067 0.461 1.00 0.00 C ATOM 12 SG CYS A 3 1.997 24.611 0.611 1.00 0.00 S ATOM 0 H CYS A 3 5.437 21.567 -0.026 1.00 0.00 H new ATOM 0 HA CYS A 3 4.436 24.273 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.497 22.442 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.872 22.502 1.391 1.00 0.00 H new ATOM 17 N GLY A 4 5.419 22.561 2.162 1.00 0.00 N ATOM 18 CA GLY A 4 6.141 22.675 3.427 1.00 0.00 C ATOM 19 C GLY A 4 6.116 21.352 4.185 1.00 0.00 C ATOM 20 O GLY A 4 6.771 20.385 3.801 1.00 0.00 O ATOM 0 H GLY A 4 5.152 21.610 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.173 22.971 3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.692 23.458 4.038 1.00 0.00 H new ATOM 24 N GLY A 5 5.348 21.322 5.271 1.00 0.00 N ATOM 25 CA GLY A 5 5.239 20.113 6.082 1.00 0.00 C ATOM 26 C GLY A 5 4.571 18.991 5.296 1.00 0.00 C ATOM 27 O GLY A 5 4.877 17.814 5.485 1.00 0.00 O ATOM 0 H GLY A 5 4.797 22.112 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.231 19.796 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.663 20.325 6.983 1.00 0.00 H new ATOM 31 N VAL A 6 3.653 19.371 4.410 1.00 0.00 N ATOM 32 CA VAL A 6 2.944 18.388 3.595 1.00 0.00 C ATOM 33 C VAL A 6 3.928 17.627 2.702 1.00 0.00 C ATOM 34 O VAL A 6 3.730 16.452 2.398 1.00 0.00 O ATOM 35 CB VAL A 6 1.878 19.084 2.732 1.00 0.00 C ATOM 36 CG1 VAL A 6 2.542 20.077 1.775 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.096 18.040 1.926 1.00 0.00 C ATOM 0 H VAL A 6 3.385 20.340 4.239 1.00 0.00 H new ATOM 0 HA VAL A 6 2.452 17.677 4.258 1.00 0.00 H new ATOM 0 HB VAL A 6 1.193 19.622 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.778 20.564 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.084 20.829 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.237 19.546 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.343 18.540 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.781 17.492 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.608 17.344 2.609 1.00 0.00 H new ATOM 47 N GLN A 7 4.988 18.318 2.288 1.00 0.00 N ATOM 48 CA GLN A 7 5.998 17.702 1.430 1.00 0.00 C ATOM 49 C GLN A 7 6.655 16.523 2.141 1.00 0.00 C ATOM 50 O GLN A 7 7.038 15.535 1.513 1.00 0.00 O ATOM 51 CB GLN A 7 7.076 18.721 1.056 1.00 0.00 C ATOM 52 CG GLN A 7 7.988 18.127 -0.020 1.00 0.00 C ATOM 53 CD GLN A 7 7.414 18.433 -1.400 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.198 18.422 -1.589 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.227 18.709 -2.382 1.00 0.00 N ATOM 0 H GLN A 7 5.169 19.292 2.529 1.00 0.00 H new ATOM 0 HA GLN A 7 5.501 17.350 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.614 19.638 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.660 18.988 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.991 18.543 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.077 17.049 0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.234 18.718 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.855 18.916 -3.309 1.00 0.00 H new ATOM 64 N ALA A 8 6.778 16.636 3.460 1.00 0.00 N ATOM 65 CA ALA A 8 7.391 15.574 4.253 1.00 0.00 C ATOM 66 C ALA A 8 6.416 14.413 4.430 1.00 0.00 C ATOM 67 O ALA A 8 6.782 13.249 4.275 1.00 0.00 O ATOM 68 CB ALA A 8 7.796 16.099 5.630 1.00 0.00 C ATOM 0 H ALA A 8 6.465 17.444 3.999 1.00 0.00 H new ATOM 0 HA ALA A 8 8.278 15.227 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.251 15.294 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.513 16.912 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.913 16.466 6.153 1.00 0.00 H new ATOM 74 N GLU A 9 5.171 14.748 4.757 1.00 0.00 N ATOM 75 CA GLU A 9 4.145 13.727 4.954 1.00 0.00 C ATOM 76 C GLU A 9 3.820 13.038 3.633 1.00 0.00 C ATOM 77 O GLU A 9 3.618 11.824 3.582 1.00 0.00 O ATOM 78 CB GLU A 9 2.868 14.353 5.517 1.00 0.00 C ATOM 79 CG GLU A 9 3.193 15.104 6.809 1.00 0.00 C ATOM 80 CD GLU A 9 1.963 15.877 7.272 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.700 16.927 6.709 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.303 15.409 8.184 1.00 0.00 O ATOM 0 H GLU A 9 4.850 15.707 4.890 1.00 0.00 H new ATOM 0 HA GLU A 9 4.531 12.993 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.433 15.036 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.126 13.579 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.506 14.402 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.025 15.789 6.645 1.00 0.00 H new ATOM 89 N GLU A 10 3.773 13.826 2.563 1.00 0.00 N ATOM 90 CA GLU A 10 3.473 13.283 1.240 1.00 0.00 C ATOM 91 C GLU A 10 4.540 12.279 0.822 1.00 0.00 C ATOM 92 O GLU A 10 4.240 11.237 0.237 1.00 0.00 O ATOM 93 CB GLU A 10 3.409 14.405 0.202 1.00 0.00 C ATOM 94 CG GLU A 10 2.785 13.871 -1.089 1.00 0.00 C ATOM 95 CD GLU A 10 2.541 15.028 -2.053 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.507 15.671 -2.430 1.00 0.00 O ATOM 97 OE2 GLU A 10 1.394 15.253 -2.398 1.00 0.00 O ATOM 0 H GLU A 10 3.937 14.833 2.583 1.00 0.00 H new ATOM 0 HA GLU A 10 2.506 12.784 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.819 15.237 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.410 14.788 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.446 13.135 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.846 13.363 -0.869 1.00 0.00 H new ATOM 104 N GLN A 11 5.793 12.603 1.128 1.00 0.00 N ATOM 105 CA GLN A 11 6.905 11.723 0.779 1.00 0.00 C ATOM 106 C GLN A 11 6.764 10.379 1.487 1.00 0.00 C ATOM 107 O GLN A 11 7.158 9.339 0.960 1.00 0.00 O ATOM 108 CB GLN A 11 8.238 12.360 1.181 1.00 0.00 C ATOM 109 CG GLN A 11 9.386 11.621 0.491 1.00 0.00 C ATOM 110 CD GLN A 11 10.697 12.352 0.758 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.703 13.559 1.006 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.819 11.687 0.726 1.00 0.00 N ATOM 0 H GLN A 11 6.063 13.459 1.612 1.00 0.00 H new ATOM 0 HA GLN A 11 6.886 11.569 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.249 13.413 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.362 12.317 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.447 10.597 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.202 11.563 -0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.814 10.688 0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.701 12.166 0.906 1.00 0.00 H new ATOM 121 N LYS A 12 6.194 10.413 2.688 1.00 0.00 N ATOM 122 CA LYS A 12 6.002 9.191 3.464 1.00 0.00 C ATOM 123 C LYS A 12 4.824 8.393 2.915 1.00 0.00 C ATOM 124 O LYS A 12 4.834 7.162 2.922 1.00 0.00 O ATOM 125 CB LYS A 12 5.737 9.525 4.934 1.00 0.00 C ATOM 126 CG LYS A 12 5.881 8.258 5.779 1.00 0.00 C ATOM 127 CD LYS A 12 4.510 7.598 5.950 1.00 0.00 C ATOM 128 CE LYS A 12 4.429 6.936 7.325 1.00 0.00 C ATOM 129 NZ LYS A 12 3.002 6.676 7.668 1.00 0.00 N ATOM 0 H LYS A 12 5.860 11.263 3.142 1.00 0.00 H new ATOM 0 HA LYS A 12 6.912 8.596 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.438 10.286 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.736 9.940 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.572 7.565 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.302 8.504 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.721 8.343 5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.352 6.856 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.990 6.001 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.884 7.580 8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.859 6.819 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.393 7.331 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.758 5.696 7.418 1.00 0.00 H new ATOM 143 N LEU A 13 3.808 9.108 2.442 1.00 0.00 N ATOM 144 CA LEU A 13 2.623 8.458 1.890 1.00 0.00 C ATOM 145 C LEU A 13 2.980 7.685 0.624 1.00 0.00 C ATOM 146 O LEU A 13 2.491 6.580 0.395 1.00 0.00 O ATOM 147 CB LEU A 13 1.549 9.494 1.555 1.00 0.00 C ATOM 148 CG LEU A 13 0.878 9.970 2.843 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.113 11.266 2.573 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.097 8.897 3.336 1.00 0.00 C ATOM 0 H LEU A 13 3.780 10.128 2.429 1.00 0.00 H new ATOM 0 HA LEU A 13 2.238 7.768 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.995 10.339 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.807 9.060 0.885 1.00 0.00 H new ATOM 0 HG LEU A 13 1.639 10.149 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.365 11.605 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.806 12.031 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.648 11.088 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.576 9.235 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.857 8.718 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.447 7.973 3.530 1.00 0.00 H new ATOM 162 N ILE A 14 3.843 8.282 -0.194 1.00 0.00 N ATOM 163 CA ILE A 14 4.266 7.644 -1.437 1.00 0.00 C ATOM 164 C ILE A 14 5.072 6.384 -1.139 1.00 0.00 C ATOM 165 O ILE A 14 4.757 5.297 -1.625 1.00 0.00 O ATOM 166 CB ILE A 14 5.121 8.608 -2.268 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.338 9.899 -2.513 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.471 7.965 -3.614 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.314 11.049 -2.766 1.00 0.00 C ATOM 0 H ILE A 14 4.259 9.197 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 14 3.374 7.376 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 14 6.040 8.831 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.674 9.777 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.710 10.124 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.079 8.655 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.030 7.045 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.554 7.737 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.755 11.969 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.960 11.176 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.923 10.823 -3.641 1.00 0.00 H new ATOM 181 N SER A 15 6.122 6.544 -0.338 1.00 0.00 N ATOM 182 CA SER A 15 6.976 5.413 0.017 1.00 0.00 C ATOM 183 C SER A 15 6.168 4.330 0.730 1.00 0.00 C ATOM 184 O SER A 15 6.462 3.141 0.616 1.00 0.00 O ATOM 185 CB SER A 15 8.116 5.867 0.929 1.00 0.00 C ATOM 186 OG SER A 15 7.620 6.822 1.858 1.00 0.00 O ATOM 0 H SER A 15 6.400 7.435 0.074 1.00 0.00 H new ATOM 0 HA SER A 15 7.390 5.006 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.537 5.012 1.458 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.920 6.302 0.336 1.00 0.00 H new ATOM 0 HG SER A 15 7.635 7.713 1.450 1.00 0.00 H new ATOM 192 N GLU A 16 5.148 4.759 1.468 1.00 0.00 N ATOM 193 CA GLU A 16 4.302 3.820 2.198 1.00 0.00 C ATOM 194 C GLU A 16 3.579 2.890 1.227 1.00 0.00 C ATOM 195 O GLU A 16 3.704 1.668 1.306 1.00 0.00 O ATOM 196 CB GLU A 16 3.264 4.571 3.034 1.00 0.00 C ATOM 197 CG GLU A 16 2.531 3.585 3.948 1.00 0.00 C ATOM 198 CD GLU A 16 2.152 4.283 5.250 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.417 5.255 5.186 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.602 3.836 6.291 1.00 0.00 O ATOM 0 H GLU A 16 4.889 5.740 1.576 1.00 0.00 H new ATOM 0 HA GLU A 16 4.942 3.233 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.751 5.342 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.552 5.076 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.637 3.208 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.167 2.724 4.156 1.00 0.00 H new ATOM 207 N GLU A 17 2.821 3.485 0.309 1.00 0.00 N ATOM 208 CA GLU A 17 2.079 2.702 -0.676 1.00 0.00 C ATOM 209 C GLU A 17 3.035 1.884 -1.542 1.00 0.00 C ATOM 210 O GLU A 17 2.696 0.794 -2.004 1.00 0.00 O ATOM 211 CB GLU A 17 1.248 3.619 -1.579 1.00 0.00 C ATOM 212 CG GLU A 17 2.156 4.663 -2.231 1.00 0.00 C ATOM 213 CD GLU A 17 1.367 5.437 -3.282 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.332 4.989 -4.417 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.810 6.466 -2.938 1.00 0.00 O ATOM 0 H GLU A 17 2.705 4.495 0.226 1.00 0.00 H new ATOM 0 HA GLU A 17 1.414 2.029 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.745 3.031 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.471 4.113 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.544 5.346 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.016 4.176 -2.692 1.00 0.00 H new ATOM 222 N ASP A 18 4.233 2.421 -1.754 1.00 0.00 N ATOM 223 CA ASP A 18 5.233 1.731 -2.565 1.00 0.00 C ATOM 224 C ASP A 18 5.612 0.400 -1.922 1.00 0.00 C ATOM 225 O ASP A 18 5.749 -0.616 -2.602 1.00 0.00 O ATOM 226 CB ASP A 18 6.491 2.590 -2.710 1.00 0.00 C ATOM 227 CG ASP A 18 7.405 1.978 -3.766 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.890 1.518 -4.771 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.606 1.978 -3.554 1.00 0.00 O ATOM 0 H ASP A 18 4.534 3.321 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 18 4.802 1.551 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.219 3.607 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.013 2.654 -1.755 1.00 0.00 H new ATOM 234 N LEU A 19 5.777 0.420 -0.603 1.00 0.00 N ATOM 235 CA LEU A 19 6.138 -0.791 0.127 1.00 0.00 C ATOM 236 C LEU A 19 5.033 -1.835 0.002 1.00 0.00 C ATOM 237 O LEU A 19 5.299 -3.033 -0.094 1.00 0.00 O ATOM 238 CB LEU A 19 6.362 -0.479 1.609 1.00 0.00 C ATOM 239 CG LEU A 19 7.354 -1.483 2.198 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.168 -0.809 3.304 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.587 -2.672 2.783 1.00 0.00 C ATOM 0 H LEU A 19 5.668 1.252 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 19 7.060 -1.181 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.744 0.536 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.416 -0.527 2.149 1.00 0.00 H new ATOM 0 HG LEU A 19 8.026 -1.832 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.875 -1.525 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.713 0.039 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.497 -0.460 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.292 -3.389 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.915 -2.322 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.006 -3.153 1.996 1.00 0.00 H new ATOM 253 N LEU A 20 3.789 -1.365 0.002 1.00 0.00 N ATOM 254 CA LEU A 20 2.645 -2.265 -0.115 1.00 0.00 C ATOM 255 C LEU A 20 2.654 -2.959 -1.472 1.00 0.00 C ATOM 256 O LEU A 20 2.274 -4.125 -1.591 1.00 0.00 O ATOM 257 CB LEU A 20 1.335 -1.487 0.042 1.00 0.00 C ATOM 258 CG LEU A 20 0.921 -1.475 1.514 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.058 -0.244 1.793 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.118 -2.740 1.827 1.00 0.00 C ATOM 0 H LEU A 20 3.548 -0.377 0.081 1.00 0.00 H new ATOM 0 HA LEU A 20 2.719 -3.012 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.460 -0.466 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.553 -1.946 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 20 1.812 -1.443 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.237 -0.236 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.628 0.658 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.833 -0.275 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.178 -2.733 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.772 -2.770 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.732 -3.619 1.629 1.00 0.00 H new ATOM 272 N ARG A 21 3.092 -2.230 -2.494 1.00 0.00 N ATOM 273 CA ARG A 21 3.150 -2.784 -3.844 1.00 0.00 C ATOM 274 C ARG A 21 4.121 -3.959 -3.895 1.00 0.00 C ATOM 275 O ARG A 21 3.875 -4.957 -4.570 1.00 0.00 O ATOM 276 CB ARG A 21 3.605 -1.717 -4.842 1.00 0.00 C ATOM 277 CG ARG A 21 2.538 -0.627 -4.945 1.00 0.00 C ATOM 278 CD ARG A 21 2.692 0.114 -6.275 1.00 0.00 C ATOM 279 NE ARG A 21 4.050 0.644 -6.418 1.00 0.00 N ATOM 280 CZ ARG A 21 4.530 1.071 -7.595 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.796 1.032 -8.682 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.747 1.532 -7.661 1.00 0.00 N ATOM 0 H ARG A 21 3.409 -1.264 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 21 2.150 -3.126 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.552 -1.284 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.775 -2.168 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.544 -1.069 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.635 0.072 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.471 -0.562 -7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.971 0.929 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 21 4.651 0.690 -5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.842 0.672 -8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.179 1.361 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.326 1.566 -6.822 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.121 1.859 -8.552 1.00 0.00 H new ATOM 296 N LYS A 22 5.229 -3.827 -3.169 1.00 0.00 N ATOM 297 CA LYS A 22 6.234 -4.885 -3.135 1.00 0.00 C ATOM 298 C LYS A 22 5.644 -6.162 -2.545 1.00 0.00 C ATOM 299 O LYS A 22 5.877 -7.262 -3.047 1.00 0.00 O ATOM 300 CB LYS A 22 7.437 -4.455 -2.291 1.00 0.00 C ATOM 301 CG LYS A 22 8.708 -5.100 -2.849 1.00 0.00 C ATOM 302 CD LYS A 22 9.371 -4.146 -3.843 1.00 0.00 C ATOM 303 CE LYS A 22 10.069 -4.953 -4.939 1.00 0.00 C ATOM 304 NZ LYS A 22 9.142 -5.128 -6.093 1.00 0.00 N ATOM 0 H LYS A 22 5.452 -3.008 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 22 6.558 -5.074 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.533 -3.369 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.291 -4.752 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.397 -5.332 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.465 -6.042 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.624 -3.486 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.093 -3.512 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.976 -4.441 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.373 -5.926 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.616 -5.677 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.289 -5.634 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.873 -4.195 -6.467 1.00 0.00 H new ATOM 318 N ARG A 23 4.874 -6.002 -1.473 1.00 0.00 N ATOM 319 CA ARG A 23 4.251 -7.146 -0.816 1.00 0.00 C ATOM 320 C ARG A 23 3.175 -7.753 -1.713 1.00 0.00 C ATOM 321 O ARG A 23 2.946 -8.962 -1.701 1.00 0.00 O ATOM 322 CB ARG A 23 3.612 -6.723 0.508 1.00 0.00 C ATOM 323 CG ARG A 23 3.272 -7.967 1.332 1.00 0.00 C ATOM 324 CD ARG A 23 4.477 -8.357 2.188 1.00 0.00 C ATOM 325 NE ARG A 23 4.520 -9.808 2.388 1.00 0.00 N ATOM 326 CZ ARG A 23 5.614 -10.434 2.846 1.00 0.00 C ATOM 327 NH1 ARG A 23 6.705 -9.767 3.138 1.00 0.00 N ATOM 328 NH2 ARG A 23 5.593 -11.729 3.004 1.00 0.00 N ATOM 0 H ARG A 23 4.668 -5.100 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 23 5.028 -7.886 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.295 -6.081 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.710 -6.141 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.409 -7.770 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.000 -8.790 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.396 -8.024 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.423 -7.853 3.153 1.00 0.00 H new ATOM 0 HE ARG A 23 3.690 -10.360 2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.731 -8.754 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.527 -10.261 3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.749 -12.257 2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.420 -12.214 3.352 1.00 0.00 H new ATOM 342 N ARG A 24 2.520 -6.897 -2.492 1.00 0.00 N ATOM 343 CA ARG A 24 1.468 -7.353 -3.398 1.00 0.00 C ATOM 344 C ARG A 24 2.032 -8.334 -4.420 1.00 0.00 C ATOM 345 O ARG A 24 1.600 -9.484 -4.504 1.00 0.00 O ATOM 346 CB ARG A 24 0.845 -6.167 -4.135 1.00 0.00 C ATOM 347 CG ARG A 24 -0.624 -6.467 -4.440 1.00 0.00 C ATOM 348 CD ARG A 24 -1.285 -5.227 -5.042 1.00 0.00 C ATOM 349 NE ARG A 24 -2.618 -5.551 -5.558 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.275 -4.735 -6.394 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.752 -3.599 -6.789 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.460 -5.077 -6.822 1.00 0.00 N ATOM 0 H ARG A 24 2.696 -5.893 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 24 0.703 -7.851 -2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.924 -5.266 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.387 -5.975 -5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.698 -7.304 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.143 -6.762 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.362 -4.446 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.664 -4.832 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.060 -6.425 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.827 -3.321 -6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.270 -2.993 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.877 -5.958 -6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.969 -4.464 -7.458 1.00 0.00 H new ATOM 366 N GLU A 25 3.003 -7.866 -5.199 1.00 0.00 N ATOM 367 CA GLU A 25 3.622 -8.709 -6.217 1.00 0.00 C ATOM 368 C GLU A 25 4.324 -9.898 -5.570 1.00 0.00 C ATOM 369 O GLU A 25 4.269 -11.021 -6.073 1.00 0.00 O ATOM 370 CB GLU A 25 4.645 -7.909 -7.026 1.00 0.00 C ATOM 371 CG GLU A 25 3.920 -7.086 -8.093 1.00 0.00 C ATOM 372 CD GLU A 25 4.704 -5.807 -8.370 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.017 -5.110 -7.421 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.981 -5.545 -9.530 1.00 0.00 O ATOM 0 H GLU A 25 3.375 -6.918 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 25 2.834 -9.067 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.212 -7.251 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.361 -8.583 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.818 -7.668 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.912 -6.842 -7.757 1.00 0.00 H new ATOM 381 N GLN A 26 4.985 -9.640 -4.444 1.00 0.00 N ATOM 382 CA GLN A 26 5.696 -10.696 -3.731 1.00 0.00 C ATOM 383 C GLN A 26 4.721 -11.768 -3.255 1.00 0.00 C ATOM 384 O GLN A 26 5.029 -12.960 -3.273 1.00 0.00 O ATOM 385 CB GLN A 26 6.434 -10.122 -2.520 1.00 0.00 C ATOM 386 CG GLN A 26 7.346 -11.194 -1.919 1.00 0.00 C ATOM 387 CD GLN A 26 7.810 -10.752 -0.536 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.600 -11.457 0.450 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.434 -9.614 -0.403 1.00 0.00 N ATOM 0 H GLN A 26 5.043 -8.719 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 26 6.416 -11.139 -4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.023 -9.255 -2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.717 -9.780 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.813 -12.142 -1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.207 -11.359 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.608 -9.029 -1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.748 -9.309 0.518 1.00 0.00 H new ATOM 398 N LEU A 27 3.540 -11.330 -2.830 1.00 0.00 N ATOM 399 CA LEU A 27 2.522 -12.260 -2.350 1.00 0.00 C ATOM 400 C LEU A 27 2.100 -13.209 -3.466 1.00 0.00 C ATOM 401 O LEU A 27 2.008 -14.422 -3.268 1.00 0.00 O ATOM 402 CB LEU A 27 1.291 -11.497 -1.854 1.00 0.00 C ATOM 403 CG LEU A 27 1.460 -11.163 -0.371 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.530 -10.008 0.002 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.109 -12.392 0.471 1.00 0.00 C ATOM 0 H LEU A 27 3.265 -10.348 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 27 2.950 -12.833 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.161 -10.582 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.394 -12.098 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 27 2.493 -10.873 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.651 -9.770 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.779 -9.132 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.504 -10.297 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.229 -12.155 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.076 -12.682 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.772 -13.216 0.206 1.00 0.00 H new ATOM 417 N LYS A 28 1.845 -12.645 -4.643 1.00 0.00 N ATOM 418 CA LYS A 28 1.434 -13.451 -5.790 1.00 0.00 C ATOM 419 C LYS A 28 2.574 -14.358 -6.240 1.00 0.00 C ATOM 420 O LYS A 28 2.352 -15.480 -6.694 1.00 0.00 O ATOM 421 CB LYS A 28 1.022 -12.551 -6.957 1.00 0.00 C ATOM 422 CG LYS A 28 0.333 -13.393 -8.031 1.00 0.00 C ATOM 423 CD LYS A 28 -0.101 -12.489 -9.188 1.00 0.00 C ATOM 424 CE LYS A 28 1.013 -12.426 -10.233 1.00 0.00 C ATOM 425 NZ LYS A 28 0.451 -11.953 -11.530 1.00 0.00 N ATOM 0 H LYS A 28 1.914 -11.644 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 28 0.584 -14.061 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.350 -11.768 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.898 -12.055 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.011 -14.165 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.533 -13.902 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.016 -12.873 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.323 -11.488 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.802 -11.752 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.466 -13.410 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.208 -11.910 -12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.287 -12.612 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.039 -11.006 -11.405 1.00 0.00 H new ATOM 439 N HIS A 29 3.798 -13.856 -6.108 1.00 0.00 N ATOM 440 CA HIS A 29 4.974 -14.626 -6.505 1.00 0.00 C ATOM 441 C HIS A 29 5.203 -15.783 -5.535 1.00 0.00 C ATOM 442 O HIS A 29 5.661 -16.857 -5.925 1.00 0.00 O ATOM 443 CB HIS A 29 6.218 -13.738 -6.521 1.00 0.00 C ATOM 444 CG HIS A 29 6.081 -12.703 -7.603 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.471 -12.980 -8.817 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.472 -11.389 -7.672 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.510 -11.857 -9.557 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.111 -10.857 -8.905 1.00 0.00 N ATOM 0 H HIS A 29 4.002 -12.929 -5.733 1.00 0.00 H new ATOM 0 HA HIS A 29 4.797 -15.018 -7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.344 -13.253 -5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.108 -14.343 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.983 -10.850 -6.888 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.105 -11.774 -10.555 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.271 -9.907 -9.240 1.00 0.00 H new ATOM 456 N LYS A 30 4.876 -15.551 -4.267 1.00 0.00 N ATOM 457 CA LYS A 30 5.049 -16.579 -3.245 1.00 0.00 C ATOM 458 C LYS A 30 4.185 -17.795 -3.562 1.00 0.00 C ATOM 459 O LYS A 30 4.662 -18.929 -3.567 1.00 0.00 O ATOM 460 CB LYS A 30 4.659 -16.036 -1.868 1.00 0.00 C ATOM 461 CG LYS A 30 5.139 -17.003 -0.784 1.00 0.00 C ATOM 462 CD LYS A 30 6.661 -16.911 -0.654 1.00 0.00 C ATOM 463 CE LYS A 30 7.076 -17.275 0.773 1.00 0.00 C ATOM 464 NZ LYS A 30 8.476 -17.782 0.769 1.00 0.00 N ATOM 0 H LYS A 30 4.494 -14.670 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 30 6.099 -16.871 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.102 -15.052 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.578 -15.912 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.667 -16.761 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.846 -18.022 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.138 -17.585 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.997 -15.902 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.996 -16.402 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.405 -18.033 1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.758 -18.030 1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.538 -18.626 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.111 -17.045 0.401 1.00 0.00 H new ATOM 478 N LEU A 31 2.906 -17.544 -3.828 1.00 0.00 N ATOM 479 CA LEU A 31 1.978 -18.626 -4.147 1.00 0.00 C ATOM 480 C LEU A 31 2.323 -19.241 -5.500 1.00 0.00 C ATOM 481 O LEU A 31 2.135 -20.437 -5.720 1.00 0.00 O ATOM 482 CB LEU A 31 0.540 -18.103 -4.190 1.00 0.00 C ATOM 483 CG LEU A 31 0.092 -17.725 -2.778 1.00 0.00 C ATOM 484 CD1 LEU A 31 -0.869 -16.537 -2.847 1.00 0.00 C ATOM 485 CD2 LEU A 31 -0.619 -18.917 -2.132 1.00 0.00 C ATOM 0 H LEU A 31 2.491 -16.612 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 31 2.065 -19.385 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.477 -17.236 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.123 -18.864 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 31 0.963 -17.453 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.188 -16.268 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.365 -15.687 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.740 -16.808 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.939 -18.648 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.490 -19.188 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.065 -19.765 -2.081 1.00 0.00 H new ATOM 497 N GLU A 32 2.829 -18.407 -6.404 1.00 0.00 N ATOM 498 CA GLU A 32 3.198 -18.876 -7.737 1.00 0.00 C ATOM 499 C GLU A 32 4.321 -19.905 -7.649 1.00 0.00 C ATOM 500 O GLU A 32 4.158 -21.060 -8.043 1.00 0.00 O ATOM 501 CB GLU A 32 3.662 -17.706 -8.607 1.00 0.00 C ATOM 502 CG GLU A 32 3.593 -18.108 -10.082 1.00 0.00 C ATOM 503 CD GLU A 32 3.897 -16.895 -10.954 1.00 0.00 C ATOM 504 OE1 GLU A 32 4.954 -16.314 -10.778 1.00 0.00 O ATOM 505 OE2 GLU A 32 3.067 -16.566 -11.786 1.00 0.00 O ATOM 0 H GLU A 32 2.992 -17.413 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 32 2.318 -19.336 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.034 -16.834 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.681 -17.425 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.308 -18.905 -10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.603 -18.500 -10.317 1.00 0.00 H new ATOM 512 N GLN A 33 5.466 -19.472 -7.127 1.00 0.00 N ATOM 513 CA GLN A 33 6.618 -20.361 -6.990 1.00 0.00 C ATOM 514 C GLN A 33 6.278 -21.545 -6.088 1.00 0.00 C ATOM 515 O GLN A 33 6.748 -22.662 -6.302 1.00 0.00 O ATOM 516 CB GLN A 33 7.814 -19.607 -6.402 1.00 0.00 C ATOM 517 CG GLN A 33 7.426 -18.985 -5.057 1.00 0.00 C ATOM 518 CD GLN A 33 8.179 -17.673 -4.868 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.143 -16.798 -5.732 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.866 -17.482 -3.774 1.00 0.00 N ATOM 0 H GLN A 33 5.621 -18.520 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 33 6.877 -20.728 -7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.655 -20.288 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.140 -18.829 -7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.351 -18.808 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.662 -19.672 -4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.896 -18.207 -3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.373 -16.607 -3.636 1.00 0.00 H new ATOM 529 N LEU A 34 5.459 -21.284 -5.073 1.00 0.00 N ATOM 530 CA LEU A 34 5.060 -22.335 -4.141 1.00 0.00 C ATOM 531 C LEU A 34 3.602 -22.157 -3.729 1.00 0.00 C ATOM 532 O LEU A 34 3.263 -21.235 -2.989 1.00 0.00 O ATOM 533 CB LEU A 34 5.939 -22.301 -2.888 1.00 0.00 C ATOM 534 CG LEU A 34 7.198 -23.135 -3.125 1.00 0.00 C ATOM 535 CD1 LEU A 34 8.326 -22.230 -3.621 1.00 0.00 C ATOM 536 CD2 LEU A 34 7.621 -23.802 -1.813 1.00 0.00 C ATOM 0 H LEU A 34 5.062 -20.365 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 34 5.181 -23.294 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.211 -21.273 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.387 -22.691 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 34 6.991 -23.900 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.223 -22.826 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.026 -21.753 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.534 -21.465 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.519 -24.397 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.828 -23.036 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.818 -24.448 -1.458 1.00 0.00 H new HETATM 548 N NH2 A 35 2.708 -22.999 -4.172 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 0.100 27.068 -3.304 1.00 0.00 C HETATM 553 O ACE B 2 0.715 26.125 -3.801 1.00 0.00 O HETATM 554 CH3 ACE B 2 0.469 28.511 -3.631 1.00 0.00 C HETATM 0 H1 ACE B 2 -0.387 29.011 -4.085 1.00 0.00 H new HETATM 0 H2 ACE B 2 0.750 29.031 -2.715 1.00 0.00 H new HETATM 0 H3 ACE B 2 1.308 28.523 -4.327 1.00 0.00 H new ATOM 558 N CYS B 3 -0.914 26.907 -2.458 1.00 0.00 N ATOM 559 CA CYS B 3 -1.361 25.574 -2.065 1.00 0.00 C ATOM 560 C CYS B 3 -2.863 25.576 -1.794 1.00 0.00 C ATOM 561 O CYS B 3 -3.373 26.416 -1.053 1.00 0.00 O ATOM 562 CB CYS B 3 -0.627 25.110 -0.806 1.00 0.00 C ATOM 563 SG CYS B 3 1.120 24.839 -1.194 1.00 0.00 S ATOM 0 H CYS B 3 -1.437 27.674 -2.035 1.00 0.00 H new ATOM 0 HA CYS B 3 -1.139 24.890 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -0.724 25.858 -0.019 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -1.074 24.190 -0.429 1.00 0.00 H new ATOM 568 N GLY B 4 -3.563 24.623 -2.402 1.00 0.00 N ATOM 569 CA GLY B 4 -5.009 24.520 -2.220 1.00 0.00 C ATOM 570 C GLY B 4 -5.499 23.118 -2.570 1.00 0.00 C ATOM 571 O GLY B 4 -6.441 22.949 -3.343 1.00 0.00 O ATOM 0 H GLY B 4 -3.159 23.918 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -5.268 24.754 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -5.513 25.254 -2.849 1.00 0.00 H new ATOM 575 N GLY B 5 -4.847 22.115 -1.989 1.00 0.00 N ATOM 576 CA GLY B 5 -5.225 20.726 -2.243 1.00 0.00 C ATOM 577 C GLY B 5 -4.241 19.770 -1.577 1.00 0.00 C ATOM 578 O GLY B 5 -3.851 18.756 -2.157 1.00 0.00 O ATOM 0 H GLY B 5 -4.064 22.234 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -6.231 20.542 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -5.249 20.541 -3.317 1.00 0.00 H new ATOM 582 N MET B 6 -3.846 20.104 -0.352 1.00 0.00 N ATOM 583 CA MET B 6 -2.907 19.267 0.389 1.00 0.00 C ATOM 584 C MET B 6 -3.600 18.007 0.896 1.00 0.00 C ATOM 585 O MET B 6 -3.089 16.897 0.748 1.00 0.00 O ATOM 586 CB MET B 6 -2.333 20.034 1.582 1.00 0.00 C ATOM 587 CG MET B 6 -1.661 21.317 1.090 1.00 0.00 C ATOM 588 SD MET B 6 -1.761 22.584 2.378 1.00 0.00 S ATOM 589 CE MET B 6 -0.212 22.175 3.219 1.00 0.00 C ATOM 0 H MET B 6 -4.157 20.939 0.145 1.00 0.00 H new ATOM 0 HA MET B 6 -2.099 18.989 -0.287 1.00 0.00 H new ATOM 0 HB2 MET B 6 -3.127 20.275 2.289 1.00 0.00 H new ATOM 0 HB3 MET B 6 -1.611 19.414 2.113 1.00 0.00 H new ATOM 0 HG2 MET B 6 -0.619 21.121 0.839 1.00 0.00 H new ATOM 0 HG3 MET B 6 -2.148 21.669 0.180 1.00 0.00 H new ATOM 0 HE1 MET B 6 0.049 22.976 3.911 1.00 0.00 H new ATOM 0 HE2 MET B 6 -0.333 21.243 3.771 1.00 0.00 H new ATOM 0 HE3 MET B 6 0.583 22.059 2.482 1.00 0.00 H new ATOM 599 N ARG B 7 -4.772 18.192 1.495 1.00 0.00 N ATOM 600 CA ARG B 7 -5.535 17.065 2.024 1.00 0.00 C ATOM 601 C ARG B 7 -6.065 16.198 0.886 1.00 0.00 C ATOM 602 O ARG B 7 -6.205 14.983 1.025 1.00 0.00 O ATOM 603 CB ARG B 7 -6.713 17.560 2.863 1.00 0.00 C ATOM 604 CG ARG B 7 -7.203 16.432 3.772 1.00 0.00 C ATOM 605 CD ARG B 7 -8.217 16.986 4.774 1.00 0.00 C ATOM 606 NE ARG B 7 -9.172 15.948 5.172 1.00 0.00 N ATOM 607 CZ ARG B 7 -10.057 15.427 4.310 1.00 0.00 C ATOM 608 NH1 ARG B 7 -10.107 15.825 3.061 1.00 0.00 N ATOM 609 NH2 ARG B 7 -10.884 14.505 4.722 1.00 0.00 N ATOM 0 H ARG B 7 -5.212 19.103 1.626 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.867 16.474 2.651 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.411 18.419 3.462 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.521 17.894 2.213 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -7.660 15.643 3.175 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -6.361 15.985 4.300 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -7.697 17.365 5.654 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -8.750 17.828 4.332 1.00 0.00 H new ATOM 0 HE ARG B 7 -9.163 15.611 6.135 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -9.465 16.544 2.729 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -10.788 15.415 2.422 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -10.853 14.188 5.691 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -11.562 14.102 4.075 1.00 0.00 H new ATOM 623 N ARG B 8 -6.358 16.836 -0.244 1.00 0.00 N ATOM 624 CA ARG B 8 -6.875 16.113 -1.404 1.00 0.00 C ATOM 625 C ARG B 8 -5.857 15.087 -1.891 1.00 0.00 C ATOM 626 O ARG B 8 -6.171 13.910 -2.061 1.00 0.00 O ATOM 627 CB ARG B 8 -7.188 17.085 -2.543 1.00 0.00 C ATOM 628 CG ARG B 8 -8.611 17.624 -2.379 1.00 0.00 C ATOM 629 CD ARG B 8 -8.673 19.062 -2.894 1.00 0.00 C ATOM 630 NE ARG B 8 -8.442 19.105 -4.340 1.00 0.00 N ATOM 631 CZ ARG B 8 -9.361 18.688 -5.221 1.00 0.00 C ATOM 632 NH1 ARG B 8 -10.522 18.218 -4.826 1.00 0.00 N ATOM 633 NH2 ARG B 8 -9.098 18.748 -6.499 1.00 0.00 N ATOM 0 H ARG B 8 -6.248 17.841 -0.382 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.789 15.601 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.473 17.908 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.088 16.580 -3.504 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.314 16.999 -2.929 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.906 17.589 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.647 19.494 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.926 19.669 -2.383 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.553 19.464 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.739 18.165 -3.831 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.207 17.906 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.199 19.110 -6.818 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -9.791 18.433 -7.178 1.00 0.00 H new ATOM 647 N LYS B 9 -4.630 15.549 -2.115 1.00 0.00 N ATOM 648 CA LYS B 9 -3.567 14.665 -2.584 1.00 0.00 C ATOM 649 C LYS B 9 -3.291 13.571 -1.557 1.00 0.00 C ATOM 650 O LYS B 9 -2.984 12.432 -1.909 1.00 0.00 O ATOM 651 CB LYS B 9 -2.280 15.456 -2.827 1.00 0.00 C ATOM 652 CG LYS B 9 -2.251 15.953 -4.276 1.00 0.00 C ATOM 653 CD LYS B 9 -3.159 17.175 -4.413 1.00 0.00 C ATOM 654 CE LYS B 9 -3.391 17.475 -5.895 1.00 0.00 C ATOM 655 NZ LYS B 9 -4.423 18.542 -6.031 1.00 0.00 N ATOM 0 H LYS B 9 -4.349 16.520 -1.981 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.896 14.211 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.225 16.301 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.412 14.828 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.231 16.210 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.582 15.163 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -4.111 16.992 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.704 18.036 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -2.459 17.794 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -3.715 16.573 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -4.581 18.746 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -5.313 18.221 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -4.096 19.404 -5.550 1.00 0.00 H new ATOM 669 N ASN B 10 -3.404 13.930 -0.282 1.00 0.00 N ATOM 670 CA ASN B 10 -3.163 12.973 0.794 1.00 0.00 C ATOM 671 C ASN B 10 -4.337 12.007 0.920 1.00 0.00 C ATOM 672 O ASN B 10 -4.166 10.841 1.272 1.00 0.00 O ATOM 673 CB ASN B 10 -2.971 13.701 2.126 1.00 0.00 C ATOM 674 CG ASN B 10 -1.624 14.414 2.127 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.595 13.811 1.819 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.566 15.675 2.457 1.00 0.00 N ATOM 0 H ASN B 10 -3.658 14.867 0.030 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.258 12.416 0.552 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.775 14.421 2.278 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.019 12.990 2.951 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.669 16.161 2.460 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.418 16.175 2.712 1.00 0.00 H new ATOM 683 N ASP B 11 -5.535 12.509 0.627 1.00 0.00 N ATOM 684 CA ASP B 11 -6.737 11.683 0.710 1.00 0.00 C ATOM 685 C ASP B 11 -6.653 10.522 -0.276 1.00 0.00 C ATOM 686 O ASP B 11 -7.097 9.409 0.012 1.00 0.00 O ATOM 687 CB ASP B 11 -7.981 12.514 0.394 1.00 0.00 C ATOM 688 CG ASP B 11 -9.215 11.818 0.955 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.709 10.912 0.303 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.650 12.197 2.031 1.00 0.00 O ATOM 0 H ASP B 11 -5.698 13.472 0.333 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.809 11.295 1.726 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.885 13.510 0.826 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.081 12.642 -0.684 1.00 0.00 H new ATOM 695 N THR B 12 -6.078 10.793 -1.444 1.00 0.00 N ATOM 696 CA THR B 12 -5.937 9.763 -2.470 1.00 0.00 C ATOM 697 C THR B 12 -4.842 8.774 -2.084 1.00 0.00 C ATOM 698 O THR B 12 -4.919 7.586 -2.398 1.00 0.00 O ATOM 699 CB THR B 12 -5.586 10.396 -3.819 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.427 11.202 -3.674 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.755 11.257 -4.300 1.00 0.00 C ATOM 0 H THR B 12 -5.706 11.707 -1.703 1.00 0.00 H new ATOM 0 HA THR B 12 -6.888 9.237 -2.553 1.00 0.00 H new ATOM 0 HB THR B 12 -5.393 9.611 -4.550 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.245 11.345 -2.722 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.504 11.707 -5.260 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.643 10.635 -4.412 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.952 12.043 -3.571 1.00 0.00 H new ATOM 709 N HIS B 13 -3.820 9.280 -1.399 1.00 0.00 N ATOM 710 CA HIS B 13 -2.708 8.433 -0.971 1.00 0.00 C ATOM 711 C HIS B 13 -3.197 7.362 -0.002 1.00 0.00 C ATOM 712 O HIS B 13 -2.909 6.177 -0.166 1.00 0.00 O ATOM 713 CB HIS B 13 -1.630 9.273 -0.283 1.00 0.00 C ATOM 714 CG HIS B 13 -0.673 9.808 -1.312 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.111 8.976 -2.097 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.362 11.089 -1.697 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.849 9.759 -2.906 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.598 11.056 -2.703 1.00 0.00 N ATOM 0 H HIS B 13 -3.737 10.261 -1.130 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.287 7.957 -1.857 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.090 10.097 0.263 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.093 8.667 0.447 1.00 0.00 H new ATOM 0 HD1 HIS B 13 0.126 7.957 -2.067 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.797 11.986 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.557 9.385 -3.630 1.00 0.00 H new ATOM 726 N GLN B 14 -3.935 7.798 1.010 1.00 0.00 N ATOM 727 CA GLN B 14 -4.463 6.875 2.011 1.00 0.00 C ATOM 728 C GLN B 14 -5.410 5.867 1.366 1.00 0.00 C ATOM 729 O GLN B 14 -5.513 4.721 1.805 1.00 0.00 O ATOM 730 CB GLN B 14 -5.212 7.637 3.108 1.00 0.00 C ATOM 731 CG GLN B 14 -6.314 8.496 2.480 1.00 0.00 C ATOM 732 CD GLN B 14 -7.172 9.106 3.584 1.00 0.00 C ATOM 733 OE1 GLN B 14 -8.306 8.682 3.803 1.00 0.00 O ATOM 734 NE2 GLN B 14 -6.694 10.090 4.296 1.00 0.00 N ATOM 0 H GLN B 14 -4.181 8.776 1.161 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.619 6.346 2.453 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.646 6.935 3.820 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -4.519 8.268 3.664 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.873 9.284 1.870 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -6.931 7.888 1.818 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.754 10.441 4.114 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.261 10.508 5.034 1.00 0.00 H new ATOM 743 N GLN B 15 -6.103 6.306 0.319 1.00 0.00 N ATOM 744 CA GLN B 15 -7.041 5.434 -0.381 1.00 0.00 C ATOM 745 C GLN B 15 -6.300 4.273 -1.035 1.00 0.00 C ATOM 746 O GLN B 15 -6.654 3.108 -0.851 1.00 0.00 O ATOM 747 CB GLN B 15 -7.800 6.213 -1.458 1.00 0.00 C ATOM 748 CG GLN B 15 -9.206 5.627 -1.618 1.00 0.00 C ATOM 749 CD GLN B 15 -9.207 4.602 -2.746 1.00 0.00 C ATOM 750 OE1 GLN B 15 -8.201 3.936 -2.990 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.289 4.435 -3.457 1.00 0.00 N ATOM 0 H GLN B 15 -6.034 7.250 -0.060 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.750 5.047 0.351 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.863 7.266 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.263 6.162 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.524 5.158 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.920 6.422 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.123 4.987 -3.255 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -10.301 3.752 -4.215 1.00 0.00 H new ATOM 760 N ASP B 16 -5.262 4.603 -1.800 1.00 0.00 N ATOM 761 CA ASP B 16 -4.469 3.579 -2.476 1.00 0.00 C ATOM 762 C ASP B 16 -3.832 2.642 -1.455 1.00 0.00 C ATOM 763 O ASP B 16 -3.773 1.428 -1.654 1.00 0.00 O ATOM 764 CB ASP B 16 -3.368 4.223 -3.318 1.00 0.00 C ATOM 765 CG ASP B 16 -2.841 3.212 -4.332 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.648 2.663 -5.063 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.640 3.002 -4.360 1.00 0.00 O ATOM 0 H ASP B 16 -4.953 5.561 -1.966 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.135 3.011 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.757 5.101 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.557 4.564 -2.675 1.00 0.00 H new ATOM 772 N ILE B 17 -3.360 3.222 -0.356 1.00 0.00 N ATOM 773 CA ILE B 17 -2.732 2.438 0.703 1.00 0.00 C ATOM 774 C ILE B 17 -3.741 1.454 1.295 1.00 0.00 C ATOM 775 O ILE B 17 -3.673 0.248 1.063 1.00 0.00 O ATOM 776 CB ILE B 17 -2.195 3.382 1.809 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.846 3.951 1.368 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.013 2.639 3.149 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.409 5.045 2.343 1.00 0.00 C ATOM 0 H ILE B 17 -3.400 4.225 -0.175 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.899 1.875 0.283 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.922 4.181 1.957 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.098 3.158 1.336 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.923 4.358 0.360 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.635 3.332 3.901 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.972 2.237 3.475 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.303 1.822 3.019 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.553 5.450 2.028 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.153 5.842 2.353 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.315 4.624 3.344 1.00 0.00 H new ATOM 791 N ASP B 18 -4.658 1.997 2.097 1.00 0.00 N ATOM 792 CA ASP B 18 -5.670 1.185 2.768 1.00 0.00 C ATOM 793 C ASP B 18 -6.314 0.171 1.814 1.00 0.00 C ATOM 794 O ASP B 18 -6.740 -0.906 2.227 1.00 0.00 O ATOM 795 CB ASP B 18 -6.764 2.086 3.358 1.00 0.00 C ATOM 796 CG ASP B 18 -6.475 2.349 4.833 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.336 2.651 5.149 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.398 2.246 5.624 1.00 0.00 O ATOM 0 H ASP B 18 -4.719 2.995 2.297 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.168 0.635 3.564 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.806 3.029 2.812 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.739 1.611 3.248 1.00 0.00 H new ATOM 803 N ASP B 19 -6.374 0.533 0.535 1.00 0.00 N ATOM 804 CA ASP B 19 -6.962 -0.351 -0.469 1.00 0.00 C ATOM 805 C ASP B 19 -6.022 -1.516 -0.760 1.00 0.00 C ATOM 806 O ASP B 19 -6.455 -2.652 -0.951 1.00 0.00 O ATOM 807 CB ASP B 19 -7.230 0.415 -1.767 1.00 0.00 C ATOM 808 CG ASP B 19 -8.026 -0.467 -2.724 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.547 -1.542 -3.045 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.102 -0.054 -3.122 1.00 0.00 O ATOM 0 H ASP B 19 -6.027 1.421 0.172 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.905 -0.732 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.783 1.330 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.288 0.712 -2.228 1.00 0.00 H new ATOM 815 N LEU B 20 -4.725 -1.219 -0.793 1.00 0.00 N ATOM 816 CA LEU B 20 -3.724 -2.247 -1.061 1.00 0.00 C ATOM 817 C LEU B 20 -3.700 -3.275 0.065 1.00 0.00 C ATOM 818 O LEU B 20 -3.583 -4.477 -0.174 1.00 0.00 O ATOM 819 CB LEU B 20 -2.333 -1.618 -1.187 1.00 0.00 C ATOM 820 CG LEU B 20 -2.213 -0.908 -2.536 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.086 0.124 -2.472 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.899 -1.937 -3.625 1.00 0.00 C ATOM 0 H LEU B 20 -4.346 -0.285 -0.639 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.989 -2.738 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.168 -0.909 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.565 -2.387 -1.100 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.152 -0.406 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.001 0.630 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.307 0.856 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.146 -0.377 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.813 -1.433 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.959 -2.438 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.701 -2.674 -3.671 1.00 0.00 H new ATOM 834 N LYS B 21 -3.814 -2.787 1.297 1.00 0.00 N ATOM 835 CA LYS B 21 -3.806 -3.671 2.460 1.00 0.00 C ATOM 836 C LYS B 21 -4.998 -4.622 2.417 1.00 0.00 C ATOM 837 O LYS B 21 -4.911 -5.770 2.852 1.00 0.00 O ATOM 838 CB LYS B 21 -3.863 -2.856 3.753 1.00 0.00 C ATOM 839 CG LYS B 21 -2.492 -2.240 4.031 1.00 0.00 C ATOM 840 CD LYS B 21 -2.419 -1.795 5.494 1.00 0.00 C ATOM 841 CE LYS B 21 -2.852 -0.332 5.603 1.00 0.00 C ATOM 842 NZ LYS B 21 -2.890 0.069 7.038 1.00 0.00 N ATOM 0 H LYS B 21 -3.912 -1.796 1.515 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.882 -4.248 2.436 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.615 -2.072 3.668 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.162 -3.494 4.584 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.706 -2.966 3.821 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.324 -1.388 3.372 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.063 -2.423 6.109 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.403 -1.914 5.871 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.159 0.305 5.054 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -3.835 -0.198 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -3.184 1.064 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.568 -0.532 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.944 -0.044 7.455 1.00 0.00 H new ATOM 856 N ARG B 22 -6.115 -4.129 1.890 1.00 0.00 N ATOM 857 CA ARG B 22 -7.324 -4.942 1.795 1.00 0.00 C ATOM 858 C ARG B 22 -7.086 -6.146 0.889 1.00 0.00 C ATOM 859 O ARG B 22 -7.368 -7.285 1.259 1.00 0.00 O ATOM 860 CB ARG B 22 -8.482 -4.117 1.233 1.00 0.00 C ATOM 861 CG ARG B 22 -9.139 -3.321 2.366 1.00 0.00 C ATOM 862 CD ARG B 22 -9.897 -4.277 3.286 1.00 0.00 C ATOM 863 NE ARG B 22 -11.077 -3.621 3.855 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.038 -4.306 4.491 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.963 -5.608 4.634 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.067 -3.667 4.977 1.00 0.00 N ATOM 0 H ARG B 22 -6.209 -3.181 1.526 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.578 -5.286 2.798 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.118 -3.439 0.461 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.215 -4.772 0.762 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.381 -2.779 2.932 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.821 -2.577 1.954 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.201 -5.163 2.728 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.241 -4.615 4.088 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.170 -2.609 3.764 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.163 -6.117 4.258 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.705 -6.111 5.121 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.135 -2.655 4.871 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.803 -4.180 5.462 1.00 0.00 H new ATOM 880 N GLN B 23 -6.565 -5.878 -0.306 1.00 0.00 N ATOM 881 CA GLN B 23 -6.292 -6.944 -1.263 1.00 0.00 C ATOM 882 C GLN B 23 -5.255 -7.914 -0.703 1.00 0.00 C ATOM 883 O GLN B 23 -5.449 -9.130 -0.715 1.00 0.00 O ATOM 884 CB GLN B 23 -5.771 -6.362 -2.579 1.00 0.00 C ATOM 885 CG GLN B 23 -5.987 -7.373 -3.711 1.00 0.00 C ATOM 886 CD GLN B 23 -4.709 -8.173 -3.937 1.00 0.00 C ATOM 887 OE1 GLN B 23 -3.869 -8.283 -3.043 1.00 0.00 O ATOM 888 NE2 GLN B 23 -4.509 -8.745 -5.093 1.00 0.00 N ATOM 0 H GLN B 23 -6.326 -4.941 -0.631 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.225 -7.477 -1.446 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.289 -5.430 -2.806 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.711 -6.124 -2.488 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.808 -8.044 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.269 -6.853 -4.627 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.204 -8.654 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -3.658 -9.283 -5.255 1.00 0.00 H new ATOM 897 N ASN B 24 -4.149 -7.361 -0.216 1.00 0.00 N ATOM 898 CA ASN B 24 -3.081 -8.182 0.347 1.00 0.00 C ATOM 899 C ASN B 24 -3.563 -8.907 1.600 1.00 0.00 C ATOM 900 O ASN B 24 -3.113 -10.011 1.907 1.00 0.00 O ATOM 901 CB ASN B 24 -1.870 -7.317 0.704 1.00 0.00 C ATOM 902 CG ASN B 24 -1.055 -7.035 -0.554 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.134 -7.775 -1.534 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.266 -5.995 -0.585 1.00 0.00 N ATOM 0 H ASN B 24 -3.969 -6.357 -0.199 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.793 -8.916 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.199 -6.380 1.154 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.252 -7.826 1.444 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.284 -5.797 -1.421 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.200 -5.381 0.227 1.00 0.00 H new ATOM 911 N ALA B 25 -4.481 -8.273 2.324 1.00 0.00 N ATOM 912 CA ALA B 25 -5.018 -8.865 3.547 1.00 0.00 C ATOM 913 C ALA B 25 -5.711 -10.188 3.242 1.00 0.00 C ATOM 914 O ALA B 25 -5.605 -11.151 4.002 1.00 0.00 O ATOM 915 CB ALA B 25 -6.021 -7.918 4.206 1.00 0.00 C ATOM 0 H ALA B 25 -4.866 -7.358 2.089 1.00 0.00 H new ATOM 0 HA ALA B 25 -4.184 -9.041 4.227 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.410 -8.376 5.115 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.526 -6.980 4.456 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.843 -7.722 3.518 1.00 0.00 H new ATOM 921 N LEU B 26 -6.423 -10.225 2.119 1.00 0.00 N ATOM 922 CA LEU B 26 -7.133 -11.438 1.718 1.00 0.00 C ATOM 923 C LEU B 26 -6.146 -12.506 1.261 1.00 0.00 C ATOM 924 O LEU B 26 -6.216 -13.659 1.686 1.00 0.00 O ATOM 925 CB LEU B 26 -8.106 -11.136 0.576 1.00 0.00 C ATOM 926 CG LEU B 26 -9.444 -10.671 1.154 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.454 -9.145 1.255 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.580 -11.129 0.236 1.00 0.00 C ATOM 0 H LEU B 26 -6.524 -9.439 1.476 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.689 -11.803 2.581 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.692 -10.366 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.252 -12.026 -0.036 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.581 -11.101 2.146 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.407 -8.814 1.667 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.644 -8.818 1.907 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.318 -8.714 0.263 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.535 -10.799 0.646 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.442 -10.698 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.573 -12.217 0.163 1.00 0.00 H new ATOM 940 N LEU B 27 -5.223 -12.108 0.390 1.00 0.00 N ATOM 941 CA LEU B 27 -4.221 -13.039 -0.123 1.00 0.00 C ATOM 942 C LEU B 27 -3.340 -13.548 1.013 1.00 0.00 C ATOM 943 O LEU B 27 -3.090 -14.747 1.135 1.00 0.00 O ATOM 944 CB LEU B 27 -3.340 -12.357 -1.170 1.00 0.00 C ATOM 945 CG LEU B 27 -4.004 -12.465 -2.544 1.00 0.00 C ATOM 946 CD1 LEU B 27 -4.890 -11.239 -2.781 1.00 0.00 C ATOM 947 CD2 LEU B 27 -2.925 -12.529 -3.627 1.00 0.00 C ATOM 0 H LEU B 27 -5.147 -11.158 0.027 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.744 -13.877 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.190 -11.310 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.355 -12.824 -1.192 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.614 -13.368 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -5.363 -11.316 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.658 -11.191 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.280 -10.336 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.397 -12.606 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.316 -11.626 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -2.293 -13.401 -3.459 1.00 0.00 H new ATOM 959 N GLU B 28 -2.871 -12.621 1.845 1.00 0.00 N ATOM 960 CA GLU B 28 -2.012 -12.979 2.976 1.00 0.00 C ATOM 961 C GLU B 28 -2.723 -13.967 3.899 1.00 0.00 C ATOM 962 O GLU B 28 -2.134 -14.949 4.351 1.00 0.00 O ATOM 963 CB GLU B 28 -1.638 -11.725 3.772 1.00 0.00 C ATOM 964 CG GLU B 28 -0.631 -12.089 4.868 1.00 0.00 C ATOM 965 CD GLU B 28 0.373 -10.954 5.039 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.066 -10.650 4.083 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.434 -10.404 6.127 1.00 0.00 O ATOM 0 H GLU B 28 -3.068 -11.624 1.761 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.108 -13.445 2.583 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.211 -10.975 3.107 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.531 -11.285 4.217 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.152 -12.272 5.808 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.112 -13.011 4.607 1.00 0.00 H new ATOM 974 N GLN B 29 -3.997 -13.694 4.174 1.00 0.00 N ATOM 975 CA GLN B 29 -4.791 -14.562 5.048 1.00 0.00 C ATOM 976 C GLN B 29 -4.774 -16.004 4.537 1.00 0.00 C ATOM 977 O GLN B 29 -4.689 -16.953 5.317 1.00 0.00 O ATOM 978 CB GLN B 29 -6.240 -14.073 5.114 1.00 0.00 C ATOM 979 CG GLN B 29 -6.399 -13.102 6.284 1.00 0.00 C ATOM 980 CD GLN B 29 -7.800 -13.234 6.870 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.794 -13.027 6.174 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.941 -13.570 8.123 1.00 0.00 N ATOM 0 H GLN B 29 -4.500 -12.886 3.809 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.349 -14.527 6.044 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.512 -13.581 4.180 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.915 -14.920 5.236 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.652 -13.313 7.049 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.230 -12.079 5.947 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.118 -13.742 8.701 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.874 -13.661 8.525 1.00 0.00 H new ATOM 991 N GLN B 30 -4.849 -16.151 3.218 1.00 0.00 N ATOM 992 CA GLN B 30 -4.834 -17.478 2.608 1.00 0.00 C ATOM 993 C GLN B 30 -3.414 -18.037 2.605 1.00 0.00 C ATOM 994 O GLN B 30 -3.203 -19.243 2.743 1.00 0.00 O ATOM 995 CB GLN B 30 -5.348 -17.415 1.169 1.00 0.00 C ATOM 996 CG GLN B 30 -6.877 -17.366 1.175 1.00 0.00 C ATOM 997 CD GLN B 30 -7.414 -18.073 -0.064 1.00 0.00 C ATOM 998 OE1 GLN B 30 -7.042 -19.213 -0.345 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.276 -17.462 -0.829 1.00 0.00 N ATOM 0 H GLN B 30 -4.920 -15.378 2.556 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.485 -18.128 3.193 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.947 -16.535 0.667 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.004 -18.285 0.610 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.263 -17.844 2.075 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.218 -16.331 1.192 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.585 -16.518 -0.597 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.642 -17.928 -1.659 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.443 -17.142 2.448 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.039 -17.545 2.430 1.00 0.00 C ATOM 1010 C VAL B 31 -0.590 -17.955 3.831 1.00 0.00 C ATOM 1011 O VAL B 31 0.251 -18.840 3.994 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.164 -16.387 1.931 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.297 -16.838 1.831 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.652 -15.934 0.549 1.00 0.00 C ATOM 0 H VAL B 31 -2.600 -16.141 2.332 1.00 0.00 H new ATOM 0 HA VAL B 31 -0.931 -18.395 1.756 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.236 -15.559 2.636 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.910 -16.010 1.476 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.648 -17.155 2.813 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.374 -17.671 1.132 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.030 -15.112 0.195 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.585 -16.767 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.688 -15.601 0.620 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.160 -17.303 4.839 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.813 -17.607 6.225 1.00 0.00 C ATOM 1026 C ARG B 32 -1.317 -18.994 6.610 1.00 0.00 C ATOM 1027 O ARG B 32 -0.618 -19.765 7.265 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.426 -16.572 7.171 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.549 -16.434 8.416 1.00 0.00 C ATOM 1030 CD ARG B 32 0.477 -15.319 8.198 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.010 -14.054 8.754 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.166 -13.869 10.073 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.110 -14.822 10.931 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -0.601 -12.720 10.510 1.00 0.00 N ATOM 0 H ARG B 32 -1.858 -16.568 4.726 1.00 0.00 H new ATOM 0 HA ARG B 32 0.273 -17.579 6.313 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.513 -15.610 6.667 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.434 -16.876 7.455 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.167 -16.209 9.286 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.040 -17.376 8.621 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.422 -15.590 8.669 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.674 -15.202 7.132 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.238 -13.290 8.118 1.00 0.00 H new ATOM 0 HH11 ARG B 32 0.450 -15.724 10.599 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.016 -14.661 11.930 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.819 -11.973 9.851 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.723 -12.568 11.511 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.543 -19.300 6.193 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.137 -20.599 6.497 1.00 0.00 C ATOM 1050 C ALA B 33 -2.326 -21.721 5.855 1.00 0.00 C ATOM 1051 O ALA B 33 -1.931 -22.680 6.518 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.575 -20.666 5.981 1.00 0.00 C ATOM 0 H ALA B 33 -3.139 -18.675 5.650 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.135 -20.723 7.580 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.001 -21.641 6.217 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.169 -19.886 6.457 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.581 -20.519 4.901 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.083 -21.588 4.554 1.00 0.00 N ATOM 1059 CA LEU B 34 -1.317 -22.596 3.826 1.00 0.00 C ATOM 1060 C LEU B 34 0.100 -22.693 4.381 1.00 0.00 C ATOM 1061 O LEU B 34 0.996 -21.966 3.955 1.00 0.00 O ATOM 1062 CB LEU B 34 -1.247 -22.244 2.338 1.00 0.00 C ATOM 1063 CG LEU B 34 -2.527 -22.708 1.642 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -2.687 -21.962 0.317 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -2.442 -24.212 1.372 1.00 0.00 C ATOM 0 H LEU B 34 -2.401 -20.802 3.987 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.821 -23.555 3.949 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -1.123 -21.168 2.214 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.379 -22.720 1.881 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.385 -22.500 2.282 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.599 -22.293 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.746 -20.890 0.508 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.830 -22.170 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.354 -24.545 0.876 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -1.584 -24.419 0.732 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -2.327 -24.745 2.316 1.00 0.00 H new HETATM 1077 N NH2 B 35 0.358 -23.560 5.322 1.00 0.00 N TER 1080 NH2 B 35