USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 51 CYS SG : rot -23:sc= -1.12 USER MOD Set 1.2: A 56 SER OG : rot -101:sc= 0.88 USER MOD Single : A 10 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.051) USER MOD Single : A 11 MET CE :methyl 149:sc= 0 (180deg=-1.59) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 173:sc=-0.00128 (180deg=-0.0921) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.15) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -151:sc= 0.542 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0269) USER MOD Single : A 43 GLN : amide:sc= -0.0574 K(o=-0.057,f=-1.2) USER MOD Single : A 50 THR OG1 : rot -151:sc= 1.18 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0756) USER MOD Single : A 58 ASN : amide:sc= -0.0625 X(o=-0.062,f=0) USER MOD Single : A 61 MET CE :methyl 173:sc= 0 (180deg=-0.0575) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.018) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= -0.656 (180deg=-2.61!) USER MOD Single : A 68 SER OG : rot 54:sc= 0.413 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.011) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -137:sc= 0.374 (180deg=-0.0488) USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= 0.1 (180deg=-0.073) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00185 (180deg=-0.131) USER MOD Single : A 86 SER OG : rot -90:sc= 0.305 USER MOD Single : A 91 LYS NZ :NH3+ -141:sc= -0.757 (180deg=-2.85!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 14.275 -10.053 20.630 1.00 0.00 N ATOM 2 CA HIS A 10 14.804 -9.483 19.372 1.00 0.00 C ATOM 3 C HIS A 10 15.913 -10.394 18.779 1.00 0.00 C ATOM 4 O HIS A 10 17.072 -10.332 19.192 1.00 0.00 O ATOM 5 CB HIS A 10 15.292 -8.013 19.587 1.00 0.00 C ATOM 6 CG HIS A 10 16.277 -7.806 20.725 1.00 0.00 C ATOM 7 ND1 HIS A 10 15.894 -7.695 22.046 1.00 0.00 N ATOM 8 CD2 HIS A 10 17.636 -7.715 20.729 1.00 0.00 C ATOM 9 CE1 HIS A 10 16.964 -7.551 22.807 1.00 0.00 C ATOM 10 NE2 HIS A 10 18.032 -7.560 22.032 1.00 0.00 N ATOM 0 HA HIS A 10 13.997 -9.444 18.640 1.00 0.00 H new ATOM 0 HB2 HIS A 10 15.754 -7.664 18.663 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.421 -7.383 19.766 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.282 -7.757 19.865 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.965 -7.444 23.882 1.00 0.00 H new ATOM 0 HE2 HIS A 10 18.996 -7.467 22.351 1.00 0.00 H new ATOM 19 N MET A 11 15.528 -11.268 17.819 1.00 0.00 N ATOM 20 CA MET A 11 16.454 -12.213 17.145 1.00 0.00 C ATOM 21 C MET A 11 15.898 -12.650 15.770 1.00 0.00 C ATOM 22 O MET A 11 16.657 -12.740 14.799 1.00 0.00 O ATOM 23 CB MET A 11 16.786 -13.435 18.062 1.00 0.00 C ATOM 24 CG MET A 11 15.578 -14.109 18.731 1.00 0.00 C ATOM 25 SD MET A 11 16.058 -15.499 19.776 1.00 0.00 S ATOM 26 CE MET A 11 14.492 -15.938 20.540 1.00 0.00 C ATOM 0 H MET A 11 14.566 -11.339 17.489 1.00 0.00 H new ATOM 0 HA MET A 11 17.393 -11.692 16.961 1.00 0.00 H new ATOM 0 HB2 MET A 11 17.312 -14.181 17.467 1.00 0.00 H new ATOM 0 HB3 MET A 11 17.474 -13.106 18.841 1.00 0.00 H new ATOM 0 HG2 MET A 11 15.042 -13.374 19.332 1.00 0.00 H new ATOM 0 HG3 MET A 11 14.888 -14.457 17.963 1.00 0.00 H new ATOM 0 HE1 MET A 11 14.472 -17.009 20.740 1.00 0.00 H new ATOM 0 HE2 MET A 11 14.378 -15.392 21.476 1.00 0.00 H new ATOM 0 HE3 MET A 11 13.674 -15.680 19.868 1.00 0.00 H new ATOM 36 N ARG A 12 14.570 -12.899 15.683 1.00 0.00 N ATOM 37 CA ARG A 12 13.871 -13.169 14.388 1.00 0.00 C ATOM 38 C ARG A 12 13.461 -11.834 13.732 1.00 0.00 C ATOM 39 O ARG A 12 12.346 -11.684 13.219 1.00 0.00 O ATOM 40 CB ARG A 12 12.623 -14.112 14.587 1.00 0.00 C ATOM 41 CG ARG A 12 12.934 -15.620 14.802 1.00 0.00 C ATOM 42 CD ARG A 12 13.542 -15.927 16.174 1.00 0.00 C ATOM 43 NE ARG A 12 13.932 -17.348 16.316 1.00 0.00 N ATOM 44 CZ ARG A 12 13.624 -18.149 17.352 1.00 0.00 C ATOM 45 NH1 ARG A 12 12.813 -17.735 18.323 1.00 0.00 N ATOM 46 NH2 ARG A 12 14.100 -19.387 17.384 1.00 0.00 N ATOM 0 H ARG A 12 13.952 -12.920 16.494 1.00 0.00 H new ATOM 0 HA ARG A 12 14.561 -13.692 13.726 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.055 -13.753 15.445 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.977 -14.016 13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.014 -16.193 14.684 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.621 -15.956 14.025 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.417 -15.296 16.329 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.823 -15.671 16.952 1.00 0.00 H new ATOM 0 HE ARG A 12 14.483 -17.756 15.561 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.414 -16.797 18.289 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.590 -18.356 19.101 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.694 -19.725 16.627 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.872 -20.001 18.166 1.00 0.00 H new ATOM 60 N ASP A 13 14.410 -10.885 13.700 1.00 0.00 N ATOM 61 CA ASP A 13 14.158 -9.479 13.373 1.00 0.00 C ATOM 62 C ASP A 13 15.128 -9.047 12.271 1.00 0.00 C ATOM 63 O ASP A 13 16.291 -8.726 12.525 1.00 0.00 O ATOM 64 CB ASP A 13 14.304 -8.592 14.633 1.00 0.00 C ATOM 65 CG ASP A 13 13.230 -8.884 15.702 1.00 0.00 C ATOM 66 OD1 ASP A 13 13.341 -9.897 16.422 1.00 0.00 O ATOM 67 OD2 ASP A 13 12.261 -8.112 15.829 1.00 0.00 O ATOM 0 H ASP A 13 15.390 -11.080 13.905 1.00 0.00 H new ATOM 0 HA ASP A 13 13.136 -9.361 13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.292 -8.746 15.067 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.244 -7.543 14.342 1.00 0.00 H new ATOM 72 N TYR A 14 14.630 -9.153 11.054 1.00 0.00 N ATOM 73 CA TYR A 14 15.291 -8.748 9.814 1.00 0.00 C ATOM 74 C TYR A 14 15.205 -7.222 9.675 1.00 0.00 C ATOM 75 O TYR A 14 14.105 -6.663 9.616 1.00 0.00 O ATOM 76 CB TYR A 14 14.576 -9.431 8.620 1.00 0.00 C ATOM 77 CG TYR A 14 14.459 -10.967 8.754 1.00 0.00 C ATOM 78 CD1 TYR A 14 13.377 -11.554 9.412 1.00 0.00 C ATOM 79 CD2 TYR A 14 15.438 -11.823 8.243 1.00 0.00 C ATOM 80 CE1 TYR A 14 13.270 -12.921 9.549 1.00 0.00 C ATOM 81 CE2 TYR A 14 15.334 -13.196 8.381 1.00 0.00 C ATOM 82 CZ TYR A 14 14.252 -13.739 9.035 1.00 0.00 C ATOM 83 OH TYR A 14 14.144 -15.106 9.176 1.00 0.00 O ATOM 0 H TYR A 14 13.703 -9.545 10.888 1.00 0.00 H new ATOM 0 HA TYR A 14 16.339 -9.047 9.828 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.577 -9.008 8.518 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.117 -9.196 7.703 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.605 -10.921 9.824 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.292 -11.405 7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.419 -13.350 10.058 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.101 -13.840 7.976 1.00 0.00 H new ATOM 0 HH TYR A 14 14.917 -15.540 8.758 1.00 0.00 H new ATOM 93 N ILE A 15 16.359 -6.546 9.637 1.00 0.00 N ATOM 94 CA ILE A 15 16.428 -5.068 9.653 1.00 0.00 C ATOM 95 C ILE A 15 17.005 -4.567 8.310 1.00 0.00 C ATOM 96 O ILE A 15 17.777 -5.273 7.661 1.00 0.00 O ATOM 97 CB ILE A 15 17.315 -4.532 10.858 1.00 0.00 C ATOM 98 CG1 ILE A 15 17.085 -5.349 12.167 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.067 -3.021 11.116 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.695 -5.249 12.745 1.00 0.00 C ATOM 0 H ILE A 15 17.272 -7.000 9.594 1.00 0.00 H new ATOM 0 HA ILE A 15 15.418 -4.683 9.792 1.00 0.00 H new ATOM 0 HB ILE A 15 18.355 -4.667 10.561 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.304 -6.398 11.966 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.800 -5.012 12.918 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.689 -2.687 11.946 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.320 -2.453 10.221 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.017 -2.861 11.362 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.634 -5.850 13.652 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.474 -4.209 12.984 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.971 -5.616 12.017 1.00 0.00 H new ATOM 112 N CYS A 16 16.606 -3.355 7.907 1.00 0.00 N ATOM 113 CA CYS A 16 17.140 -2.670 6.704 1.00 0.00 C ATOM 114 C CYS A 16 18.484 -1.977 7.005 1.00 0.00 C ATOM 115 O CYS A 16 19.228 -1.649 6.075 1.00 0.00 O ATOM 116 CB CYS A 16 16.114 -1.634 6.176 1.00 0.00 C ATOM 117 SG CYS A 16 16.806 -0.379 5.067 1.00 0.00 S ATOM 0 H CYS A 16 15.900 -2.811 8.403 1.00 0.00 H new ATOM 0 HA CYS A 16 17.313 -3.425 5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.320 -2.165 5.651 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.654 -1.133 7.027 1.00 0.00 H new ATOM 122 N GLU A 17 18.704 -1.666 8.306 1.00 0.00 N ATOM 123 CA GLU A 17 19.972 -1.107 8.861 1.00 0.00 C ATOM 124 C GLU A 17 19.983 0.440 8.726 1.00 0.00 C ATOM 125 O GLU A 17 20.868 1.116 9.257 1.00 0.00 O ATOM 126 CB GLU A 17 21.244 -1.771 8.221 1.00 0.00 C ATOM 127 CG GLU A 17 22.595 -1.429 8.886 1.00 0.00 C ATOM 128 CD GLU A 17 23.804 -2.049 8.161 1.00 0.00 C ATOM 129 OE1 GLU A 17 24.337 -1.424 7.219 1.00 0.00 O ATOM 130 OE2 GLU A 17 24.221 -3.170 8.516 1.00 0.00 O ATOM 0 H GLU A 17 17.989 -1.799 9.021 1.00 0.00 H new ATOM 0 HA GLU A 17 20.012 -1.351 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.114 -2.853 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.294 -1.478 7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.714 -0.346 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.582 -1.776 9.919 1.00 0.00 H new ATOM 137 N TYR A 18 18.952 1.000 8.055 1.00 0.00 N ATOM 138 CA TYR A 18 18.853 2.443 7.776 1.00 0.00 C ATOM 139 C TYR A 18 17.431 2.923 8.087 1.00 0.00 C ATOM 140 O TYR A 18 17.227 3.914 8.793 1.00 0.00 O ATOM 141 CB TYR A 18 19.209 2.733 6.293 1.00 0.00 C ATOM 142 CG TYR A 18 19.397 4.228 5.998 1.00 0.00 C ATOM 143 CD1 TYR A 18 20.106 5.030 6.895 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.875 4.838 4.857 1.00 0.00 C ATOM 145 CE1 TYR A 18 20.286 6.368 6.674 1.00 0.00 C ATOM 146 CE2 TYR A 18 19.054 6.191 4.631 1.00 0.00 C ATOM 147 CZ TYR A 18 19.759 6.951 5.540 1.00 0.00 C ATOM 148 OH TYR A 18 19.936 8.299 5.317 1.00 0.00 O ATOM 0 H TYR A 18 18.166 0.460 7.693 1.00 0.00 H new ATOM 0 HA TYR A 18 19.561 2.981 8.407 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.124 2.200 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.420 2.339 5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.523 4.583 7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.324 4.246 4.141 1.00 0.00 H new ATOM 0 HE1 TYR A 18 20.838 6.965 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.642 6.651 3.745 1.00 0.00 H new ATOM 0 HH TYR A 18 19.504 8.551 4.474 1.00 0.00 H new ATOM 158 N CYS A 19 16.458 2.194 7.516 1.00 0.00 N ATOM 159 CA CYS A 19 15.022 2.474 7.677 1.00 0.00 C ATOM 160 C CYS A 19 14.208 1.169 7.729 1.00 0.00 C ATOM 161 O CYS A 19 13.688 0.706 6.718 1.00 0.00 O ATOM 162 CB CYS A 19 14.527 3.426 6.558 1.00 0.00 C ATOM 163 SG CYS A 19 15.321 3.191 4.934 1.00 0.00 S ATOM 0 H CYS A 19 16.648 1.386 6.924 1.00 0.00 H new ATOM 0 HA CYS A 19 14.870 2.981 8.630 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.451 3.295 6.441 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.690 4.455 6.879 1.00 0.00 H new ATOM 168 N ALA A 20 14.222 0.537 8.908 1.00 0.00 N ATOM 169 CA ALA A 20 13.287 -0.528 9.299 1.00 0.00 C ATOM 170 C ALA A 20 13.333 -0.708 10.810 1.00 0.00 C ATOM 171 O ALA A 20 14.426 -0.845 11.374 1.00 0.00 O ATOM 172 CB ALA A 20 13.599 -1.867 8.612 1.00 0.00 C ATOM 0 H ALA A 20 14.901 0.757 9.637 1.00 0.00 H new ATOM 0 HA ALA A 20 12.290 -0.224 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.879 -2.619 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.535 -1.745 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.605 -2.189 8.882 1.00 0.00 H new ATOM 178 N ARG A 21 12.151 -0.701 11.447 1.00 0.00 N ATOM 179 CA ARG A 21 12.040 -0.956 12.887 1.00 0.00 C ATOM 180 C ARG A 21 12.442 -2.431 13.165 1.00 0.00 C ATOM 181 O ARG A 21 13.423 -2.675 13.881 1.00 0.00 O ATOM 182 CB ARG A 21 10.609 -0.581 13.424 1.00 0.00 C ATOM 183 CG ARG A 21 9.414 -1.265 12.700 1.00 0.00 C ATOM 184 CD ARG A 21 8.033 -0.928 13.287 1.00 0.00 C ATOM 185 NE ARG A 21 6.957 -1.678 12.596 1.00 0.00 N ATOM 186 CZ ARG A 21 5.643 -1.477 12.742 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.174 -0.545 13.562 1.00 0.00 N ATOM 188 NH2 ARG A 21 4.804 -2.215 12.043 1.00 0.00 N ATOM 0 H ARG A 21 11.260 -0.521 10.985 1.00 0.00 H new ATOM 0 HA ARG A 21 12.727 -0.314 13.439 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.561 -0.834 14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.485 0.499 13.349 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.428 -0.975 11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.555 -2.345 12.734 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.020 -1.166 14.351 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.849 0.143 13.197 1.00 0.00 H new ATOM 0 HE ARG A 21 7.245 -2.414 11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.820 0.036 14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.168 -0.409 13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.160 -2.925 11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.798 -2.076 12.141 1.00 0.00 H new ATOM 202 N ALA A 22 11.711 -3.391 12.551 1.00 0.00 N ATOM 203 CA ALA A 22 12.060 -4.816 12.510 1.00 0.00 C ATOM 204 C ALA A 22 11.033 -5.542 11.645 1.00 0.00 C ATOM 205 O ALA A 22 9.862 -5.155 11.616 1.00 0.00 O ATOM 206 CB ALA A 22 12.065 -5.420 13.926 1.00 0.00 C ATOM 0 H ALA A 22 10.841 -3.182 12.060 1.00 0.00 H new ATOM 0 HA ALA A 22 13.060 -4.929 12.090 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.326 -6.477 13.870 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.797 -4.897 14.542 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.075 -5.314 14.370 1.00 0.00 H new ATOM 212 N PHE A 23 11.480 -6.576 10.936 1.00 0.00 N ATOM 213 CA PHE A 23 10.601 -7.466 10.160 1.00 0.00 C ATOM 214 C PHE A 23 10.738 -8.883 10.699 1.00 0.00 C ATOM 215 O PHE A 23 11.828 -9.307 11.036 1.00 0.00 O ATOM 216 CB PHE A 23 10.965 -7.422 8.657 1.00 0.00 C ATOM 217 CG PHE A 23 10.653 -6.083 7.981 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.335 -5.727 7.697 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.660 -5.191 7.615 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.039 -4.531 7.076 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.357 -3.996 6.993 1.00 0.00 C ATOM 222 CZ PHE A 23 10.049 -3.670 6.722 1.00 0.00 C ATOM 0 H PHE A 23 12.467 -6.827 10.879 1.00 0.00 H new ATOM 0 HA PHE A 23 9.568 -7.133 10.261 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.028 -7.636 8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.424 -8.214 8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.533 -6.398 7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.691 -5.438 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.012 -4.271 6.868 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.150 -3.316 6.719 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.816 -2.737 6.231 1.00 0.00 H new ATOM 232 N LYS A 24 9.624 -9.605 10.808 1.00 0.00 N ATOM 233 CA LYS A 24 9.641 -11.022 11.200 1.00 0.00 C ATOM 234 C LYS A 24 9.774 -11.933 9.962 1.00 0.00 C ATOM 235 O LYS A 24 9.822 -13.159 10.096 1.00 0.00 O ATOM 236 CB LYS A 24 8.387 -11.372 12.036 1.00 0.00 C ATOM 237 CG LYS A 24 7.032 -11.180 11.317 1.00 0.00 C ATOM 238 CD LYS A 24 5.834 -11.543 12.220 1.00 0.00 C ATOM 239 CE LYS A 24 4.485 -11.383 11.501 1.00 0.00 C ATOM 240 NZ LYS A 24 4.361 -12.290 10.327 1.00 0.00 N ATOM 0 H LYS A 24 8.691 -9.233 10.630 1.00 0.00 H new ATOM 0 HA LYS A 24 10.515 -11.197 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.464 -12.411 12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.390 -10.759 12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.939 -10.144 10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.008 -11.798 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.940 -12.573 12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.847 -10.910 13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.676 -11.587 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.371 -10.350 11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.395 -12.234 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.040 -12.003 9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.561 -13.267 10.621 1.00 0.00 H new ATOM 254 N SER A 25 9.860 -11.332 8.755 1.00 0.00 N ATOM 255 CA SER A 25 10.031 -12.072 7.495 1.00 0.00 C ATOM 256 C SER A 25 11.064 -11.353 6.593 1.00 0.00 C ATOM 257 O SER A 25 11.002 -10.126 6.419 1.00 0.00 O ATOM 258 CB SER A 25 8.663 -12.186 6.777 1.00 0.00 C ATOM 259 OG SER A 25 7.690 -12.808 7.612 1.00 0.00 O ATOM 0 H SER A 25 9.812 -10.321 8.632 1.00 0.00 H new ATOM 0 HA SER A 25 10.403 -13.074 7.708 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.317 -11.193 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.779 -12.762 5.859 1.00 0.00 H new ATOM 0 HG SER A 25 6.837 -12.865 7.133 1.00 0.00 H new ATOM 265 N SER A 26 12.009 -12.144 6.041 1.00 0.00 N ATOM 266 CA SER A 26 13.041 -11.674 5.088 1.00 0.00 C ATOM 267 C SER A 26 12.407 -11.119 3.795 1.00 0.00 C ATOM 268 O SER A 26 12.875 -10.115 3.246 1.00 0.00 O ATOM 269 CB SER A 26 14.022 -12.833 4.772 1.00 0.00 C ATOM 270 OG SER A 26 13.323 -13.985 4.323 1.00 0.00 O ATOM 0 H SER A 26 12.079 -13.141 6.247 1.00 0.00 H new ATOM 0 HA SER A 26 13.593 -10.855 5.550 1.00 0.00 H new ATOM 0 HB2 SER A 26 14.733 -12.515 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 26 14.599 -13.078 5.663 1.00 0.00 H new ATOM 0 HG SER A 26 13.963 -14.701 4.129 1.00 0.00 H new ATOM 276 N HIS A 27 11.327 -11.782 3.331 1.00 0.00 N ATOM 277 CA HIS A 27 10.569 -11.351 2.134 1.00 0.00 C ATOM 278 C HIS A 27 9.940 -9.963 2.336 1.00 0.00 C ATOM 279 O HIS A 27 9.959 -9.139 1.426 1.00 0.00 O ATOM 280 CB HIS A 27 9.476 -12.390 1.768 1.00 0.00 C ATOM 281 CG HIS A 27 10.001 -13.617 1.074 1.00 0.00 C ATOM 282 ND1 HIS A 27 9.972 -13.772 -0.297 1.00 0.00 N ATOM 283 CD2 HIS A 27 10.566 -14.741 1.562 1.00 0.00 C ATOM 284 CE1 HIS A 27 10.501 -14.936 -0.614 1.00 0.00 C ATOM 285 NE2 HIS A 27 10.870 -15.545 0.495 1.00 0.00 N ATOM 0 H HIS A 27 10.957 -12.625 3.770 1.00 0.00 H new ATOM 0 HA HIS A 27 11.276 -11.283 1.307 1.00 0.00 H new ATOM 0 HB2 HIS A 27 8.960 -12.694 2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.736 -11.912 1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.746 -14.966 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.613 -15.326 -1.615 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.310 -16.464 0.550 1.00 0.00 H new ATOM 294 N ASN A 28 9.413 -9.720 3.550 1.00 0.00 N ATOM 295 CA ASN A 28 8.740 -8.448 3.917 1.00 0.00 C ATOM 296 C ASN A 28 9.724 -7.268 3.784 1.00 0.00 C ATOM 297 O ASN A 28 9.388 -6.206 3.250 1.00 0.00 O ATOM 298 CB ASN A 28 8.221 -8.543 5.379 1.00 0.00 C ATOM 299 CG ASN A 28 7.084 -7.563 5.752 1.00 0.00 C ATOM 300 OD1 ASN A 28 6.197 -7.910 6.534 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.091 -6.338 5.237 1.00 0.00 N ATOM 0 H ASN A 28 9.439 -10.399 4.311 1.00 0.00 H new ATOM 0 HA ASN A 28 7.900 -8.279 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.872 -9.560 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.059 -8.372 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.358 -5.675 5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.830 -6.061 4.591 1.00 0.00 H new ATOM 308 N LEU A 29 10.933 -7.494 4.302 1.00 0.00 N ATOM 309 CA LEU A 29 12.058 -6.552 4.228 1.00 0.00 C ATOM 310 C LEU A 29 12.470 -6.299 2.764 1.00 0.00 C ATOM 311 O LEU A 29 12.764 -5.164 2.405 1.00 0.00 O ATOM 312 CB LEU A 29 13.237 -7.101 5.118 1.00 0.00 C ATOM 313 CG LEU A 29 14.692 -7.113 4.522 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.327 -5.701 4.444 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.603 -8.090 5.297 1.00 0.00 C ATOM 0 H LEU A 29 11.165 -8.356 4.796 1.00 0.00 H new ATOM 0 HA LEU A 29 11.764 -5.579 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.261 -6.512 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.988 -8.123 5.402 1.00 0.00 H new ATOM 0 HG LEU A 29 14.600 -7.466 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.330 -5.776 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.715 -5.061 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.383 -5.272 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.603 -8.077 4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.657 -7.785 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.193 -9.098 5.234 1.00 0.00 H new ATOM 327 N ALA A 30 12.489 -7.360 1.945 1.00 0.00 N ATOM 328 CA ALA A 30 12.854 -7.273 0.514 1.00 0.00 C ATOM 329 C ALA A 30 11.830 -6.424 -0.296 1.00 0.00 C ATOM 330 O ALA A 30 12.197 -5.773 -1.281 1.00 0.00 O ATOM 331 CB ALA A 30 13.007 -8.682 -0.074 1.00 0.00 C ATOM 0 H ALA A 30 12.253 -8.304 2.250 1.00 0.00 H new ATOM 0 HA ALA A 30 13.812 -6.759 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.276 -8.609 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.789 -9.218 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.065 -9.221 0.024 1.00 0.00 H new ATOM 337 N VAL A 31 10.554 -6.439 0.151 1.00 0.00 N ATOM 338 CA VAL A 31 9.474 -5.596 -0.425 1.00 0.00 C ATOM 339 C VAL A 31 9.756 -4.097 -0.157 1.00 0.00 C ATOM 340 O VAL A 31 9.563 -3.249 -1.034 1.00 0.00 O ATOM 341 CB VAL A 31 8.058 -5.996 0.138 1.00 0.00 C ATOM 342 CG1 VAL A 31 6.928 -5.106 -0.441 1.00 0.00 C ATOM 343 CG2 VAL A 31 7.757 -7.490 -0.130 1.00 0.00 C ATOM 0 H VAL A 31 10.241 -7.033 0.919 1.00 0.00 H new ATOM 0 HA VAL A 31 9.462 -5.768 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 31 8.087 -5.832 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.970 -5.418 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.115 -4.064 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.903 -5.209 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.774 -7.740 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.772 -7.677 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.513 -8.106 0.356 1.00 0.00 H new ATOM 353 N HIS A 32 10.222 -3.794 1.069 1.00 0.00 N ATOM 354 CA HIS A 32 10.665 -2.435 1.465 1.00 0.00 C ATOM 355 C HIS A 32 11.958 -2.043 0.725 1.00 0.00 C ATOM 356 O HIS A 32 12.122 -0.896 0.291 1.00 0.00 O ATOM 357 CB HIS A 32 10.877 -2.355 3.015 1.00 0.00 C ATOM 358 CG HIS A 32 11.724 -1.181 3.469 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.247 0.098 3.597 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.062 -1.110 3.727 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.271 0.896 3.907 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.403 0.220 3.997 1.00 0.00 N ATOM 0 H HIS A 32 10.304 -4.482 1.817 1.00 0.00 H new ATOM 0 HA HIS A 32 9.883 -1.729 1.185 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.903 -2.295 3.501 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.346 -3.279 3.354 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.277 0.389 3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.747 -1.945 3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.185 1.961 4.065 1.00 0.00 H new ATOM 370 N ARG A 33 12.863 -3.022 0.601 1.00 0.00 N ATOM 371 CA ARG A 33 14.211 -2.858 0.025 1.00 0.00 C ATOM 372 C ARG A 33 14.162 -2.491 -1.483 1.00 0.00 C ATOM 373 O ARG A 33 15.191 -2.194 -2.066 1.00 0.00 O ATOM 374 CB ARG A 33 15.031 -4.162 0.268 1.00 0.00 C ATOM 375 CG ARG A 33 16.533 -4.076 -0.077 1.00 0.00 C ATOM 376 CD ARG A 33 17.225 -5.450 -0.069 1.00 0.00 C ATOM 377 NE ARG A 33 17.281 -6.073 1.263 1.00 0.00 N ATOM 378 CZ ARG A 33 17.314 -7.390 1.489 1.00 0.00 C ATOM 379 NH1 ARG A 33 17.105 -8.255 0.514 1.00 0.00 N ATOM 380 NH2 ARG A 33 17.516 -7.829 2.707 1.00 0.00 N ATOM 0 H ARG A 33 12.676 -3.977 0.906 1.00 0.00 H new ATOM 0 HA ARG A 33 14.704 -2.023 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.932 -4.442 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.586 -4.965 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.650 -3.621 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 33 17.029 -3.420 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.698 -6.117 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 33 18.239 -5.339 -0.452 1.00 0.00 H new ATOM 0 HE ARG A 33 17.296 -5.454 2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.914 -7.922 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.134 -9.256 0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.646 -7.168 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.543 -8.832 2.890 1.00 0.00 H new ATOM 394 N MET A 34 12.936 -2.444 -2.061 1.00 0.00 N ATOM 395 CA MET A 34 12.660 -1.999 -3.462 1.00 0.00 C ATOM 396 C MET A 34 13.407 -0.690 -3.875 1.00 0.00 C ATOM 397 O MET A 34 13.680 -0.472 -5.059 1.00 0.00 O ATOM 398 CB MET A 34 11.131 -1.778 -3.606 1.00 0.00 C ATOM 399 CG MET A 34 10.572 -0.642 -2.728 1.00 0.00 C ATOM 400 SD MET A 34 8.777 -0.483 -2.809 1.00 0.00 S ATOM 401 CE MET A 34 8.487 0.903 -1.709 1.00 0.00 C ATOM 0 H MET A 34 12.090 -2.719 -1.561 1.00 0.00 H new ATOM 0 HA MET A 34 13.030 -2.781 -4.126 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.903 -1.561 -4.650 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.616 -2.705 -3.353 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.867 -0.816 -1.693 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.026 0.300 -3.035 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.418 1.113 -1.663 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.852 0.659 -0.712 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.014 1.781 -2.083 1.00 0.00 H new ATOM 411 N ILE A 35 13.759 0.126 -2.873 1.00 0.00 N ATOM 412 CA ILE A 35 14.435 1.410 -3.054 1.00 0.00 C ATOM 413 C ILE A 35 15.988 1.213 -3.103 1.00 0.00 C ATOM 414 O ILE A 35 16.668 1.821 -3.935 1.00 0.00 O ATOM 415 CB ILE A 35 13.971 2.430 -1.933 1.00 0.00 C ATOM 416 CG1 ILE A 35 14.878 3.696 -1.876 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.864 1.760 -0.543 1.00 0.00 C ATOM 418 CD1 ILE A 35 14.826 4.594 -3.105 1.00 0.00 C ATOM 0 H ILE A 35 13.576 -0.096 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 35 14.151 1.842 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 35 12.971 2.758 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.595 4.286 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 35 15.909 3.377 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.543 2.497 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.137 0.949 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.837 1.361 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.492 5.445 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.141 4.029 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.807 4.952 -3.251 1.00 0.00 H new ATOM 430 N HIS A 36 16.535 0.322 -2.237 1.00 0.00 N ATOM 431 CA HIS A 36 18.012 0.154 -2.061 1.00 0.00 C ATOM 432 C HIS A 36 18.575 -1.047 -2.862 1.00 0.00 C ATOM 433 O HIS A 36 19.785 -1.120 -3.097 1.00 0.00 O ATOM 434 CB HIS A 36 18.384 -0.077 -0.566 1.00 0.00 C ATOM 435 CG HIS A 36 17.561 0.684 0.437 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.691 2.028 0.687 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.592 0.237 1.280 1.00 0.00 C ATOM 438 CE1 HIS A 36 16.823 2.345 1.654 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.126 1.289 2.050 1.00 0.00 N ATOM 0 H HIS A 36 15.979 -0.295 -1.646 1.00 0.00 H new ATOM 0 HA HIS A 36 18.451 1.080 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.295 -1.141 -0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.432 0.190 -0.426 1.00 0.00 H new ATOM 0 HD1 HIS A 36 18.333 2.668 0.220 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.240 -0.782 1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.705 3.338 2.062 1.00 0.00 H new ATOM 447 N THR A 37 17.689 -1.970 -3.251 1.00 0.00 N ATOM 448 CA THR A 37 18.054 -3.358 -3.606 1.00 0.00 C ATOM 449 C THR A 37 19.000 -3.479 -4.810 1.00 0.00 C ATOM 450 O THR A 37 20.008 -4.189 -4.734 1.00 0.00 O ATOM 451 CB THR A 37 16.777 -4.239 -3.850 1.00 0.00 C ATOM 452 OG1 THR A 37 17.143 -5.558 -4.285 1.00 0.00 O ATOM 453 CG2 THR A 37 15.803 -3.604 -4.859 1.00 0.00 C ATOM 0 H THR A 37 16.690 -1.780 -3.331 1.00 0.00 H new ATOM 0 HA THR A 37 18.604 -3.728 -2.741 1.00 0.00 H new ATOM 0 HB THR A 37 16.258 -4.305 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.431 -5.926 -4.848 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.939 -4.255 -4.990 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.474 -2.634 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.306 -3.472 -5.817 1.00 0.00 H new ATOM 461 N GLY A 38 18.685 -2.800 -5.919 1.00 0.00 N ATOM 462 CA GLY A 38 19.314 -3.094 -7.207 1.00 0.00 C ATOM 463 C GLY A 38 18.623 -4.230 -7.953 1.00 0.00 C ATOM 464 O GLY A 38 18.616 -4.245 -9.184 1.00 0.00 O ATOM 0 H GLY A 38 18.000 -2.045 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.301 -2.197 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.360 -3.354 -7.045 1.00 0.00 H new ATOM 468 N GLU A 39 18.044 -5.196 -7.212 1.00 0.00 N ATOM 469 CA GLU A 39 17.212 -6.265 -7.775 1.00 0.00 C ATOM 470 C GLU A 39 15.763 -6.041 -7.329 1.00 0.00 C ATOM 471 O GLU A 39 15.285 -6.644 -6.351 1.00 0.00 O ATOM 472 CB GLU A 39 17.737 -7.650 -7.326 1.00 0.00 C ATOM 473 CG GLU A 39 19.195 -7.958 -7.726 1.00 0.00 C ATOM 474 CD GLU A 39 19.449 -7.955 -9.248 1.00 0.00 C ATOM 475 OE1 GLU A 39 19.082 -8.944 -9.921 1.00 0.00 O ATOM 476 OE2 GLU A 39 20.021 -6.977 -9.780 1.00 0.00 O ATOM 0 H GLU A 39 18.145 -5.252 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 39 17.256 -6.242 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.652 -7.720 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.091 -8.420 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.851 -7.224 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.471 -8.933 -7.325 1.00 0.00 H new ATOM 483 N LYS A 40 15.108 -5.102 -8.022 1.00 0.00 N ATOM 484 CA LYS A 40 13.743 -4.640 -7.693 1.00 0.00 C ATOM 485 C LYS A 40 12.760 -5.830 -7.717 1.00 0.00 C ATOM 486 O LYS A 40 12.667 -6.503 -8.752 1.00 0.00 O ATOM 487 CB LYS A 40 13.295 -3.546 -8.691 1.00 0.00 C ATOM 488 CG LYS A 40 14.262 -2.347 -8.804 1.00 0.00 C ATOM 489 CD LYS A 40 13.749 -1.269 -9.783 1.00 0.00 C ATOM 490 CE LYS A 40 14.736 -0.108 -9.947 1.00 0.00 C ATOM 491 NZ LYS A 40 15.969 -0.523 -10.659 1.00 0.00 N ATOM 0 H LYS A 40 15.509 -4.634 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 40 13.746 -4.213 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.179 -3.997 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.314 -3.178 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.402 -1.902 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.238 -2.701 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.564 -1.725 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.795 -0.883 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.255 0.702 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.999 0.285 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.564 0.311 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.495 -1.204 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.714 -0.968 -11.564 1.00 0.00 H new ATOM 505 N PRO A 41 12.036 -6.126 -6.579 1.00 0.00 N ATOM 506 CA PRO A 41 11.194 -7.342 -6.457 1.00 0.00 C ATOM 507 C PRO A 41 10.021 -7.343 -7.479 1.00 0.00 C ATOM 508 O PRO A 41 10.167 -7.872 -8.590 1.00 0.00 O ATOM 509 CB PRO A 41 10.727 -7.317 -4.965 1.00 0.00 C ATOM 510 CG PRO A 41 10.806 -5.869 -4.565 1.00 0.00 C ATOM 511 CD PRO A 41 11.974 -5.290 -5.341 1.00 0.00 C ATOM 0 HA PRO A 41 11.729 -8.262 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.713 -7.702 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.369 -7.937 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.880 -5.346 -4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.961 -5.768 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.814 -4.238 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.901 -5.351 -4.771 1.00 0.00 H new ATOM 519 N LEU A 42 8.890 -6.718 -7.120 1.00 0.00 N ATOM 520 CA LEU A 42 7.700 -6.614 -7.971 1.00 0.00 C ATOM 521 C LEU A 42 7.053 -5.260 -7.693 1.00 0.00 C ATOM 522 O LEU A 42 6.389 -5.092 -6.676 1.00 0.00 O ATOM 523 CB LEU A 42 6.715 -7.780 -7.661 1.00 0.00 C ATOM 524 CG LEU A 42 7.190 -9.218 -8.060 1.00 0.00 C ATOM 525 CD1 LEU A 42 6.256 -10.310 -7.506 1.00 0.00 C ATOM 526 CD2 LEU A 42 7.347 -9.340 -9.592 1.00 0.00 C ATOM 0 H LEU A 42 8.777 -6.263 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 42 7.969 -6.688 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.505 -7.774 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.774 -7.577 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 42 8.167 -9.375 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.624 -11.291 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.232 -10.250 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.250 -10.163 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.678 -10.347 -9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.389 -9.141 -10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.085 -8.618 -9.941 1.00 0.00 H new ATOM 538 N GLN A 43 7.287 -4.289 -8.575 1.00 0.00 N ATOM 539 CA GLN A 43 6.799 -2.918 -8.412 1.00 0.00 C ATOM 540 C GLN A 43 6.375 -2.356 -9.769 1.00 0.00 C ATOM 541 O GLN A 43 7.137 -2.411 -10.744 1.00 0.00 O ATOM 542 CB GLN A 43 7.895 -2.044 -7.755 1.00 0.00 C ATOM 543 CG GLN A 43 7.534 -0.547 -7.604 1.00 0.00 C ATOM 544 CD GLN A 43 8.603 0.268 -6.873 1.00 0.00 C ATOM 545 OE1 GLN A 43 9.254 -0.222 -5.955 1.00 0.00 O ATOM 546 NE2 GLN A 43 8.825 1.506 -7.306 1.00 0.00 N ATOM 0 H GLN A 43 7.825 -4.432 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 43 5.928 -2.913 -7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.119 -2.450 -6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.806 -2.125 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.375 -0.118 -8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.591 -0.462 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.268 1.886 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.552 2.075 -6.873 1.00 0.00 H new ATOM 555 N CYS A 44 5.137 -1.857 -9.809 1.00 0.00 N ATOM 556 CA CYS A 44 4.505 -1.280 -10.997 1.00 0.00 C ATOM 557 C CYS A 44 5.233 -0.003 -11.452 1.00 0.00 C ATOM 558 O CYS A 44 5.145 1.041 -10.791 1.00 0.00 O ATOM 559 CB CYS A 44 3.030 -0.978 -10.679 1.00 0.00 C ATOM 560 SG CYS A 44 2.115 -0.053 -11.952 1.00 0.00 S ATOM 0 H CYS A 44 4.529 -1.843 -8.990 1.00 0.00 H new ATOM 0 HA CYS A 44 4.566 -1.997 -11.816 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.515 -1.923 -10.504 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.987 -0.414 -9.747 1.00 0.00 H new ATOM 565 N GLU A 45 5.931 -0.108 -12.597 1.00 0.00 N ATOM 566 CA GLU A 45 6.742 0.979 -13.195 1.00 0.00 C ATOM 567 C GLU A 45 5.857 1.860 -14.113 1.00 0.00 C ATOM 568 O GLU A 45 6.193 2.176 -15.260 1.00 0.00 O ATOM 569 CB GLU A 45 7.952 0.338 -13.950 1.00 0.00 C ATOM 570 CG GLU A 45 8.989 1.331 -14.534 1.00 0.00 C ATOM 571 CD GLU A 45 9.560 2.311 -13.496 1.00 0.00 C ATOM 572 OE1 GLU A 45 10.486 1.923 -12.756 1.00 0.00 O ATOM 573 OE2 GLU A 45 9.083 3.469 -13.408 1.00 0.00 O ATOM 0 H GLU A 45 5.950 -0.967 -13.147 1.00 0.00 H new ATOM 0 HA GLU A 45 7.138 1.639 -12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.468 -0.335 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.564 -0.273 -14.765 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.809 0.767 -14.977 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.522 1.899 -15.338 1.00 0.00 H new ATOM 580 N ILE A 46 4.705 2.271 -13.564 1.00 0.00 N ATOM 581 CA ILE A 46 3.677 3.094 -14.238 1.00 0.00 C ATOM 582 C ILE A 46 3.247 4.234 -13.253 1.00 0.00 C ATOM 583 O ILE A 46 2.490 5.142 -13.592 1.00 0.00 O ATOM 584 CB ILE A 46 2.410 2.235 -14.617 1.00 0.00 C ATOM 585 CG1 ILE A 46 2.777 0.937 -15.405 1.00 0.00 C ATOM 586 CG2 ILE A 46 1.392 3.082 -15.419 1.00 0.00 C ATOM 587 CD1 ILE A 46 3.459 1.178 -16.745 1.00 0.00 C ATOM 0 H ILE A 46 4.450 2.034 -12.605 1.00 0.00 H new ATOM 0 HA ILE A 46 4.095 3.501 -15.159 1.00 0.00 H new ATOM 0 HB ILE A 46 1.953 1.922 -13.678 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.431 0.324 -14.785 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.867 0.361 -15.574 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.526 2.469 -15.670 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.072 3.933 -14.817 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.860 3.441 -16.336 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.676 0.221 -17.220 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.801 1.762 -17.389 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.389 1.724 -16.587 1.00 0.00 H new ATOM 599 N CYS A 47 3.814 4.186 -12.037 1.00 0.00 N ATOM 600 CA CYS A 47 3.363 4.930 -10.883 1.00 0.00 C ATOM 601 C CYS A 47 4.349 4.494 -9.793 1.00 0.00 C ATOM 602 O CYS A 47 5.565 4.476 -10.039 1.00 0.00 O ATOM 603 CB CYS A 47 1.852 4.630 -10.569 1.00 0.00 C ATOM 604 SG CYS A 47 1.507 3.018 -9.781 1.00 0.00 S ATOM 0 H CYS A 47 4.627 3.603 -11.839 1.00 0.00 H new ATOM 0 HA CYS A 47 3.369 6.013 -11.006 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.472 5.419 -9.920 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.289 4.685 -11.501 1.00 0.00 H new ATOM 609 N GLY A 48 3.864 4.158 -8.628 1.00 0.00 N ATOM 610 CA GLY A 48 4.611 3.365 -7.663 1.00 0.00 C ATOM 611 C GLY A 48 3.604 2.519 -6.889 1.00 0.00 C ATOM 612 O GLY A 48 2.640 3.101 -6.381 1.00 0.00 O ATOM 0 H GLY A 48 2.932 4.425 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.337 2.729 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.170 4.011 -6.986 1.00 0.00 H new ATOM 616 N PHE A 49 3.781 1.184 -6.744 1.00 0.00 N ATOM 617 CA PHE A 49 2.756 0.288 -6.195 1.00 0.00 C ATOM 618 C PHE A 49 3.466 -1.065 -6.167 1.00 0.00 C ATOM 619 O PHE A 49 3.779 -1.607 -7.231 1.00 0.00 O ATOM 620 CB PHE A 49 1.483 0.250 -7.091 1.00 0.00 C ATOM 621 CG PHE A 49 0.327 -0.612 -6.561 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.335 -1.999 -6.713 1.00 0.00 C ATOM 623 CD2 PHE A 49 -0.773 -0.031 -5.928 1.00 0.00 C ATOM 624 CE1 PHE A 49 -0.709 -2.775 -6.253 1.00 0.00 C ATOM 625 CE2 PHE A 49 -1.818 -0.807 -5.470 1.00 0.00 C ATOM 626 CZ PHE A 49 -1.788 -2.179 -5.629 1.00 0.00 C ATOM 0 H PHE A 49 4.642 0.705 -7.007 1.00 0.00 H new ATOM 0 HA PHE A 49 2.393 0.603 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.122 1.270 -7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.765 -0.118 -8.077 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.174 -2.474 -7.200 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.807 1.040 -5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.683 -3.847 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.663 -0.340 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.606 -2.784 -5.266 1.00 0.00 H new ATOM 636 N THR A 50 3.727 -1.606 -4.979 1.00 0.00 N ATOM 637 CA THR A 50 4.616 -2.753 -4.822 1.00 0.00 C ATOM 638 C THR A 50 3.818 -3.949 -4.296 1.00 0.00 C ATOM 639 O THR A 50 2.938 -3.802 -3.441 1.00 0.00 O ATOM 640 CB THR A 50 5.790 -2.421 -3.855 1.00 0.00 C ATOM 641 OG1 THR A 50 6.317 -1.130 -4.203 1.00 0.00 O ATOM 642 CG2 THR A 50 6.927 -3.467 -3.910 1.00 0.00 C ATOM 0 H THR A 50 3.331 -1.264 -4.104 1.00 0.00 H new ATOM 0 HA THR A 50 5.043 -3.000 -5.794 1.00 0.00 H new ATOM 0 HB THR A 50 5.396 -2.431 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.268 -1.091 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.717 -3.183 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.535 -4.446 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.332 -3.511 -4.921 1.00 0.00 H new ATOM 650 N CYS A 51 4.145 -5.109 -4.821 1.00 0.00 N ATOM 651 CA CYS A 51 3.444 -6.370 -4.555 1.00 0.00 C ATOM 652 C CYS A 51 4.442 -7.496 -4.243 1.00 0.00 C ATOM 653 O CYS A 51 5.639 -7.386 -4.535 1.00 0.00 O ATOM 654 CB CYS A 51 2.593 -6.727 -5.794 1.00 0.00 C ATOM 655 SG CYS A 51 1.408 -5.436 -6.263 1.00 0.00 S ATOM 0 H CYS A 51 4.928 -5.216 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 51 2.800 -6.253 -3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.257 -6.921 -6.636 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.050 -7.651 -5.597 1.00 0.00 H new ATOM 0 HG CYS A 51 1.152 -4.687 -5.232 1.00 0.00 H new ATOM 661 N ARG A 52 3.921 -8.561 -3.621 1.00 0.00 N ATOM 662 CA ARG A 52 4.654 -9.821 -3.379 1.00 0.00 C ATOM 663 C ARG A 52 4.299 -10.838 -4.474 1.00 0.00 C ATOM 664 O ARG A 52 5.114 -11.698 -4.830 1.00 0.00 O ATOM 665 CB ARG A 52 4.290 -10.394 -1.983 1.00 0.00 C ATOM 666 CG ARG A 52 4.623 -9.450 -0.808 1.00 0.00 C ATOM 667 CD ARG A 52 4.235 -10.032 0.564 1.00 0.00 C ATOM 668 NE ARG A 52 4.598 -9.126 1.669 1.00 0.00 N ATOM 669 CZ ARG A 52 4.348 -9.351 2.962 1.00 0.00 C ATOM 670 NH1 ARG A 52 3.713 -10.441 3.355 1.00 0.00 N ATOM 671 NH2 ARG A 52 4.725 -8.463 3.850 1.00 0.00 N ATOM 0 H ARG A 52 2.965 -8.577 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 52 5.725 -9.622 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.224 -10.621 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.819 -11.336 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.691 -9.234 -0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.105 -8.502 -0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.162 -10.221 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.731 -10.992 0.704 1.00 0.00 H new ATOM 0 HE ARG A 52 5.078 -8.259 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.405 -11.128 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.531 -10.596 4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.203 -7.613 3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.540 -8.622 4.840 1.00 0.00 H new ATOM 685 N GLN A 53 3.050 -10.745 -4.969 1.00 0.00 N ATOM 686 CA GLN A 53 2.531 -11.580 -6.064 1.00 0.00 C ATOM 687 C GLN A 53 2.632 -10.826 -7.402 1.00 0.00 C ATOM 688 O GLN A 53 2.240 -9.658 -7.495 1.00 0.00 O ATOM 689 CB GLN A 53 1.059 -11.985 -5.771 1.00 0.00 C ATOM 690 CG GLN A 53 0.863 -12.761 -4.450 1.00 0.00 C ATOM 691 CD GLN A 53 -0.593 -13.170 -4.204 1.00 0.00 C ATOM 692 OE1 GLN A 53 -1.367 -12.424 -3.603 1.00 0.00 O ATOM 693 NE2 GLN A 53 -0.973 -14.349 -4.675 1.00 0.00 N ATOM 0 H GLN A 53 2.365 -10.078 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 53 3.132 -12.486 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.445 -11.084 -5.744 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.692 -12.596 -6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.488 -13.654 -4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.206 -12.145 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.304 -14.941 -5.168 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.934 -14.665 -4.544 1.00 0.00 H new ATOM 702 N LYS A 54 3.193 -11.506 -8.416 1.00 0.00 N ATOM 703 CA LYS A 54 3.328 -10.994 -9.796 1.00 0.00 C ATOM 704 C LYS A 54 1.954 -10.617 -10.395 1.00 0.00 C ATOM 705 O LYS A 54 1.808 -9.567 -11.017 1.00 0.00 O ATOM 706 CB LYS A 54 4.049 -12.061 -10.655 1.00 0.00 C ATOM 707 CG LYS A 54 4.197 -11.734 -12.157 1.00 0.00 C ATOM 708 CD LYS A 54 4.921 -12.868 -12.917 1.00 0.00 C ATOM 709 CE LYS A 54 4.946 -12.654 -14.435 1.00 0.00 C ATOM 710 NZ LYS A 54 3.590 -12.729 -15.031 1.00 0.00 N ATOM 0 H LYS A 54 3.574 -12.445 -8.300 1.00 0.00 H new ATOM 0 HA LYS A 54 3.922 -10.080 -9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.043 -12.222 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.507 -13.002 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.211 -11.574 -12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.753 -10.804 -12.274 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.944 -12.947 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.429 -13.816 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.386 -11.681 -14.656 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.586 -13.406 -14.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.667 -12.749 -16.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.114 -13.593 -14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.037 -11.897 -14.741 1.00 0.00 H new ATOM 724 N ALA A 55 0.973 -11.497 -10.176 1.00 0.00 N ATOM 725 CA ALA A 55 -0.430 -11.285 -10.595 1.00 0.00 C ATOM 726 C ALA A 55 -1.019 -9.952 -10.056 1.00 0.00 C ATOM 727 O ALA A 55 -1.717 -9.239 -10.779 1.00 0.00 O ATOM 728 CB ALA A 55 -1.283 -12.474 -10.144 1.00 0.00 C ATOM 0 H ALA A 55 1.124 -12.386 -9.700 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.444 -11.212 -11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.317 -12.318 -10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.902 -13.388 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.238 -12.563 -9.059 1.00 0.00 H new ATOM 734 N SER A 56 -0.693 -9.634 -8.793 1.00 0.00 N ATOM 735 CA SER A 56 -1.236 -8.460 -8.075 1.00 0.00 C ATOM 736 C SER A 56 -0.959 -7.129 -8.827 1.00 0.00 C ATOM 737 O SER A 56 -1.903 -6.399 -9.148 1.00 0.00 O ATOM 738 CB SER A 56 -0.650 -8.429 -6.650 1.00 0.00 C ATOM 739 OG SER A 56 -1.176 -7.367 -5.863 1.00 0.00 O ATOM 0 H SER A 56 -0.042 -10.185 -8.234 1.00 0.00 H new ATOM 0 HA SER A 56 -2.320 -8.558 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.856 -9.378 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.434 -8.329 -6.709 1.00 0.00 H new ATOM 0 HG SER A 56 -0.532 -6.629 -5.837 1.00 0.00 H new ATOM 745 N LEU A 57 0.326 -6.835 -9.138 1.00 0.00 N ATOM 746 CA LEU A 57 0.690 -5.618 -9.896 1.00 0.00 C ATOM 747 C LEU A 57 0.364 -5.763 -11.398 1.00 0.00 C ATOM 748 O LEU A 57 0.173 -4.752 -12.074 1.00 0.00 O ATOM 749 CB LEU A 57 2.176 -5.191 -9.713 1.00 0.00 C ATOM 750 CG LEU A 57 3.279 -6.104 -10.361 1.00 0.00 C ATOM 751 CD1 LEU A 57 4.587 -5.325 -10.592 1.00 0.00 C ATOM 752 CD2 LEU A 57 3.550 -7.356 -9.506 1.00 0.00 C ATOM 0 H LEU A 57 1.120 -7.419 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 57 0.075 -4.824 -9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.290 -4.186 -10.120 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.378 -5.127 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 57 2.896 -6.428 -11.329 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.329 -5.985 -11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.397 -4.485 -11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.962 -4.953 -9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.318 -7.964 -9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.891 -7.054 -8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.633 -7.938 -9.412 1.00 0.00 H new ATOM 764 N ASN A 58 0.377 -7.014 -11.919 1.00 0.00 N ATOM 765 CA ASN A 58 -0.014 -7.332 -13.323 1.00 0.00 C ATOM 766 C ASN A 58 -1.455 -6.911 -13.648 1.00 0.00 C ATOM 767 O ASN A 58 -1.736 -6.424 -14.748 1.00 0.00 O ATOM 768 CB ASN A 58 0.163 -8.850 -13.604 1.00 0.00 C ATOM 769 CG ASN A 58 -0.378 -9.311 -14.969 1.00 0.00 C ATOM 770 OD1 ASN A 58 0.332 -9.286 -15.967 1.00 0.00 O ATOM 771 ND2 ASN A 58 -1.644 -9.726 -15.020 1.00 0.00 N ATOM 0 H ASN A 58 0.658 -7.834 -11.381 1.00 0.00 H new ATOM 0 HA ASN A 58 0.648 -6.755 -13.969 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.223 -9.097 -13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.340 -9.414 -12.818 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.045 -10.033 -15.906 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.212 -9.736 -14.173 1.00 0.00 H new ATOM 778 N TRP A 59 -2.367 -7.114 -12.699 1.00 0.00 N ATOM 779 CA TRP A 59 -3.784 -6.768 -12.887 1.00 0.00 C ATOM 780 C TRP A 59 -3.950 -5.267 -12.670 1.00 0.00 C ATOM 781 O TRP A 59 -4.633 -4.591 -13.441 1.00 0.00 O ATOM 782 CB TRP A 59 -4.696 -7.604 -11.951 1.00 0.00 C ATOM 783 CG TRP A 59 -4.927 -9.010 -12.463 1.00 0.00 C ATOM 784 CD1 TRP A 59 -4.366 -10.173 -12.014 1.00 0.00 C ATOM 785 CD2 TRP A 59 -5.777 -9.376 -13.562 1.00 0.00 C ATOM 786 NE1 TRP A 59 -4.829 -11.232 -12.751 1.00 0.00 N ATOM 787 CE2 TRP A 59 -5.701 -10.770 -13.702 1.00 0.00 C ATOM 788 CE3 TRP A 59 -6.614 -8.659 -14.425 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -6.413 -11.462 -14.679 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -7.323 -9.347 -15.394 1.00 0.00 C ATOM 791 CH2 TRP A 59 -7.220 -10.737 -15.510 1.00 0.00 C ATOM 0 H TRP A 59 -2.154 -7.518 -11.787 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.094 -7.012 -13.903 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.245 -7.652 -10.960 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.656 -7.100 -11.841 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.662 -10.247 -11.199 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.566 -12.208 -12.614 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.705 -7.587 -14.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.330 -12.534 -14.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -7.965 -8.803 -16.071 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -7.790 -11.248 -16.272 1.00 0.00 H new ATOM 802 N HIS A 60 -3.334 -4.773 -11.589 1.00 0.00 N ATOM 803 CA HIS A 60 -3.152 -3.340 -11.332 1.00 0.00 C ATOM 804 C HIS A 60 -2.591 -2.510 -12.539 1.00 0.00 C ATOM 805 O HIS A 60 -2.985 -1.350 -12.704 1.00 0.00 O ATOM 806 CB HIS A 60 -2.265 -3.183 -10.070 1.00 0.00 C ATOM 807 CG HIS A 60 -1.805 -1.790 -9.813 1.00 0.00 C ATOM 808 ND1 HIS A 60 -2.625 -0.762 -9.458 1.00 0.00 N ATOM 809 CD2 HIS A 60 -0.600 -1.261 -10.015 1.00 0.00 C ATOM 810 CE1 HIS A 60 -1.896 0.350 -9.476 1.00 0.00 C ATOM 811 NE2 HIS A 60 -0.637 0.106 -9.828 1.00 0.00 N ATOM 0 H HIS A 60 -2.942 -5.367 -10.858 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.142 -2.914 -11.171 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.823 -3.535 -9.202 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.392 -3.828 -10.171 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.615 -0.832 -9.222 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.282 -1.822 -10.287 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.279 1.330 -9.235 1.00 0.00 H new ATOM 819 N MET A 61 -1.654 -3.052 -13.343 1.00 0.00 N ATOM 820 CA MET A 61 -1.128 -2.308 -14.525 1.00 0.00 C ATOM 821 C MET A 61 -2.191 -2.239 -15.647 1.00 0.00 C ATOM 822 O MET A 61 -2.292 -1.236 -16.358 1.00 0.00 O ATOM 823 CB MET A 61 0.253 -2.859 -15.018 1.00 0.00 C ATOM 824 CG MET A 61 0.251 -4.201 -15.766 1.00 0.00 C ATOM 825 SD MET A 61 -0.454 -4.086 -17.430 1.00 0.00 S ATOM 826 CE MET A 61 -0.335 -5.774 -18.012 1.00 0.00 C ATOM 0 H MET A 61 -1.249 -3.978 -13.208 1.00 0.00 H new ATOM 0 HA MET A 61 -0.927 -1.284 -14.210 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.701 -2.110 -15.671 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.906 -2.958 -14.151 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.273 -4.573 -15.836 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.315 -4.932 -15.188 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.846 -5.865 -18.971 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.714 -6.044 -18.133 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.801 -6.442 -17.288 1.00 0.00 H new ATOM 836 N LYS A 62 -2.987 -3.318 -15.782 1.00 0.00 N ATOM 837 CA LYS A 62 -4.180 -3.339 -16.666 1.00 0.00 C ATOM 838 C LYS A 62 -5.236 -2.301 -16.210 1.00 0.00 C ATOM 839 O LYS A 62 -5.996 -1.774 -17.030 1.00 0.00 O ATOM 840 CB LYS A 62 -4.809 -4.759 -16.691 1.00 0.00 C ATOM 841 CG LYS A 62 -3.878 -5.868 -17.229 1.00 0.00 C ATOM 842 CD LYS A 62 -4.542 -7.263 -17.238 1.00 0.00 C ATOM 843 CE LYS A 62 -5.799 -7.320 -18.133 1.00 0.00 C ATOM 844 NZ LYS A 62 -5.498 -7.038 -19.558 1.00 0.00 N ATOM 0 H LYS A 62 -2.827 -4.196 -15.287 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.854 -3.074 -17.672 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.118 -5.022 -15.680 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.710 -4.732 -17.303 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.567 -5.613 -18.242 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.976 -5.905 -16.618 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.820 -8.002 -17.585 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.814 -7.538 -16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.255 -8.307 -18.050 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.532 -6.599 -17.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.362 -7.155 -20.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.151 -6.062 -19.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.770 -7.699 -19.896 1.00 0.00 H new ATOM 858 N LYS A 63 -5.288 -2.056 -14.888 1.00 0.00 N ATOM 859 CA LYS A 63 -6.141 -0.994 -14.308 1.00 0.00 C ATOM 860 C LYS A 63 -5.796 0.398 -14.878 1.00 0.00 C ATOM 861 O LYS A 63 -6.678 1.240 -14.987 1.00 0.00 O ATOM 862 CB LYS A 63 -6.108 -0.979 -12.759 1.00 0.00 C ATOM 863 CG LYS A 63 -6.601 -2.287 -12.091 1.00 0.00 C ATOM 864 CD LYS A 63 -8.028 -2.739 -12.512 1.00 0.00 C ATOM 865 CE LYS A 63 -9.172 -1.881 -11.924 1.00 0.00 C ATOM 866 NZ LYS A 63 -9.176 -0.480 -12.408 1.00 0.00 N ATOM 0 H LYS A 63 -4.749 -2.579 -14.197 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.162 -1.236 -14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.087 -0.782 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.722 -0.151 -12.404 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.898 -3.086 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.582 -2.155 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.096 -2.717 -13.600 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.173 -3.775 -12.205 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.127 -2.345 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.092 -1.880 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.157 -0.159 -12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.699 0.129 -11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.675 -0.426 -13.318 1.00 0.00 H new ATOM 880 N HIS A 64 -4.515 0.623 -15.258 1.00 0.00 N ATOM 881 CA HIS A 64 -4.071 1.886 -15.912 1.00 0.00 C ATOM 882 C HIS A 64 -4.472 1.931 -17.409 1.00 0.00 C ATOM 883 O HIS A 64 -4.365 2.982 -18.046 1.00 0.00 O ATOM 884 CB HIS A 64 -2.527 2.067 -15.818 1.00 0.00 C ATOM 885 CG HIS A 64 -1.946 2.266 -14.445 1.00 0.00 C ATOM 886 ND1 HIS A 64 -1.935 3.476 -13.787 1.00 0.00 N ATOM 887 CD2 HIS A 64 -1.216 1.422 -13.675 1.00 0.00 C ATOM 888 CE1 HIS A 64 -1.200 3.334 -12.677 1.00 0.00 C ATOM 889 NE2 HIS A 64 -0.736 2.108 -12.568 1.00 0.00 N ATOM 0 H HIS A 64 -3.765 -0.055 -15.124 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.571 2.693 -15.376 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.055 1.190 -16.262 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.248 2.924 -16.431 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.404 4.329 -14.091 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.036 0.379 -13.889 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.012 4.123 -11.964 1.00 0.00 H new ATOM 897 N ASP A 65 -4.937 0.802 -17.966 1.00 0.00 N ATOM 898 CA ASP A 65 -5.184 0.672 -19.426 1.00 0.00 C ATOM 899 C ASP A 65 -6.628 1.048 -19.769 1.00 0.00 C ATOM 900 O ASP A 65 -6.900 1.587 -20.847 1.00 0.00 O ATOM 901 CB ASP A 65 -4.884 -0.767 -19.907 1.00 0.00 C ATOM 902 CG ASP A 65 -4.939 -0.930 -21.444 1.00 0.00 C ATOM 903 OD1 ASP A 65 -3.903 -0.741 -22.113 1.00 0.00 O ATOM 904 OD2 ASP A 65 -6.019 -1.243 -21.992 1.00 0.00 O ATOM 0 H ASP A 65 -5.153 -0.041 -17.433 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.513 1.360 -19.941 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.895 -1.060 -19.554 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.601 -1.450 -19.452 1.00 0.00 H new ATOM 909 N ALA A 66 -7.554 0.748 -18.854 1.00 0.00 N ATOM 910 CA ALA A 66 -8.985 1.065 -19.020 1.00 0.00 C ATOM 911 C ALA A 66 -9.412 2.171 -18.030 1.00 0.00 C ATOM 912 O ALA A 66 -10.594 2.513 -17.980 1.00 0.00 O ATOM 913 CB ALA A 66 -9.835 -0.212 -18.842 1.00 0.00 C ATOM 0 H ALA A 66 -7.338 0.278 -17.975 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.151 1.443 -20.029 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.890 0.033 -18.966 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.543 -0.950 -19.589 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.673 -0.621 -17.845 1.00 0.00 H new ATOM 919 N ASP A 67 -8.412 2.703 -17.263 1.00 0.00 N ATOM 920 CA ASP A 67 -8.566 3.646 -16.122 1.00 0.00 C ATOM 921 C ASP A 67 -9.559 4.793 -16.381 1.00 0.00 C ATOM 922 O ASP A 67 -9.188 5.900 -16.771 1.00 0.00 O ATOM 923 CB ASP A 67 -7.170 4.210 -15.717 1.00 0.00 C ATOM 924 CG ASP A 67 -7.150 5.042 -14.418 1.00 0.00 C ATOM 925 OD1 ASP A 67 -8.018 4.842 -13.540 1.00 0.00 O ATOM 926 OD2 ASP A 67 -6.256 5.894 -14.265 1.00 0.00 O ATOM 0 H ASP A 67 -7.434 2.472 -17.436 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.996 3.071 -15.302 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.477 3.376 -15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.796 4.829 -16.532 1.00 0.00 H new ATOM 931 N SER A 68 -10.832 4.462 -16.204 1.00 0.00 N ATOM 932 CA SER A 68 -11.944 5.430 -16.219 1.00 0.00 C ATOM 933 C SER A 68 -12.054 6.185 -14.879 1.00 0.00 C ATOM 934 O SER A 68 -12.773 7.183 -14.787 1.00 0.00 O ATOM 935 CB SER A 68 -13.264 4.697 -16.544 1.00 0.00 C ATOM 936 OG SER A 68 -13.166 3.979 -17.764 1.00 0.00 O ATOM 0 H SER A 68 -11.135 3.502 -16.043 1.00 0.00 H new ATOM 0 HA SER A 68 -11.745 6.172 -16.992 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.511 4.011 -15.734 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.078 5.419 -16.609 1.00 0.00 H new ATOM 0 HG SER A 68 -12.385 3.387 -17.734 1.00 0.00 H new ATOM 942 N PHE A 69 -11.351 5.691 -13.840 1.00 0.00 N ATOM 943 CA PHE A 69 -11.222 6.404 -12.554 1.00 0.00 C ATOM 944 C PHE A 69 -10.338 7.646 -12.728 1.00 0.00 C ATOM 945 O PHE A 69 -10.585 8.682 -12.089 1.00 0.00 O ATOM 946 CB PHE A 69 -10.641 5.475 -11.454 1.00 0.00 C ATOM 947 CG PHE A 69 -11.617 4.393 -10.979 1.00 0.00 C ATOM 948 CD1 PHE A 69 -12.563 4.671 -9.984 1.00 0.00 C ATOM 949 CD2 PHE A 69 -11.601 3.106 -11.523 1.00 0.00 C ATOM 950 CE1 PHE A 69 -13.452 3.703 -9.554 1.00 0.00 C ATOM 951 CE2 PHE A 69 -12.495 2.143 -11.087 1.00 0.00 C ATOM 952 CZ PHE A 69 -13.417 2.441 -10.104 1.00 0.00 C ATOM 0 H PHE A 69 -10.862 4.796 -13.868 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.216 6.717 -12.236 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.739 4.996 -11.835 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.342 6.082 -10.599 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.599 5.657 -9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.884 2.860 -12.292 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.174 3.937 -8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.471 1.153 -11.518 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.110 1.685 -9.766 1.00 0.00 H new ATOM 962 N TYR A 70 -9.319 7.511 -13.609 1.00 0.00 N ATOM 963 CA TYR A 70 -8.332 8.556 -13.916 1.00 0.00 C ATOM 964 C TYR A 70 -7.587 8.986 -12.650 1.00 0.00 C ATOM 965 O TYR A 70 -7.935 9.985 -12.010 1.00 0.00 O ATOM 966 CB TYR A 70 -8.964 9.750 -14.670 1.00 0.00 C ATOM 967 CG TYR A 70 -9.441 9.394 -16.086 1.00 0.00 C ATOM 968 CD1 TYR A 70 -8.520 9.068 -17.090 1.00 0.00 C ATOM 969 CD2 TYR A 70 -10.796 9.379 -16.419 1.00 0.00 C ATOM 970 CE1 TYR A 70 -8.942 8.738 -18.363 1.00 0.00 C ATOM 971 CE2 TYR A 70 -11.216 9.052 -17.692 1.00 0.00 C ATOM 972 CZ TYR A 70 -10.289 8.732 -18.657 1.00 0.00 C ATOM 973 OH TYR A 70 -10.711 8.398 -19.922 1.00 0.00 O ATOM 0 H TYR A 70 -9.163 6.651 -14.134 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.595 8.131 -14.598 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.809 10.127 -14.094 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.235 10.558 -14.733 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.464 9.075 -16.865 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.530 9.628 -15.666 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.220 8.486 -19.125 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.269 9.047 -17.930 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.689 8.441 -19.963 1.00 0.00 H new ATOM 983 N GLN A 71 -6.585 8.177 -12.289 1.00 0.00 N ATOM 984 CA GLN A 71 -5.790 8.329 -11.063 1.00 0.00 C ATOM 985 C GLN A 71 -4.958 9.622 -11.099 1.00 0.00 C ATOM 986 O GLN A 71 -4.887 10.361 -10.111 1.00 0.00 O ATOM 987 CB GLN A 71 -4.855 7.103 -10.901 1.00 0.00 C ATOM 988 CG GLN A 71 -3.922 7.155 -9.672 1.00 0.00 C ATOM 989 CD GLN A 71 -2.858 6.060 -9.668 1.00 0.00 C ATOM 990 OE1 GLN A 71 -3.069 4.964 -10.197 1.00 0.00 O ATOM 991 NE2 GLN A 71 -1.700 6.344 -9.083 1.00 0.00 N ATOM 0 H GLN A 71 -6.296 7.379 -12.854 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.470 8.389 -10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.467 6.204 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.244 7.009 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.431 8.128 -9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.522 7.070 -8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.556 7.258 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.955 5.648 -9.062 1.00 0.00 H new ATOM 1000 N PHE A 72 -4.353 9.880 -12.262 1.00 0.00 N ATOM 1001 CA PHE A 72 -3.432 10.998 -12.478 1.00 0.00 C ATOM 1002 C PHE A 72 -4.222 12.180 -13.046 1.00 0.00 C ATOM 1003 O PHE A 72 -5.106 11.987 -13.889 1.00 0.00 O ATOM 1004 CB PHE A 72 -2.312 10.574 -13.464 1.00 0.00 C ATOM 1005 CG PHE A 72 -1.643 9.248 -13.096 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -2.170 8.037 -13.543 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -0.506 9.209 -12.299 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -1.582 6.840 -13.212 1.00 0.00 C ATOM 1009 CE2 PHE A 72 0.085 8.005 -11.969 1.00 0.00 C ATOM 1010 CZ PHE A 72 -0.455 6.823 -12.425 1.00 0.00 C ATOM 0 H PHE A 72 -4.493 9.307 -13.094 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.968 11.288 -11.535 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.733 10.493 -14.466 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.554 11.357 -13.499 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.056 8.040 -14.160 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.079 10.131 -11.933 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.005 5.913 -13.570 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.972 7.990 -11.353 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.007 5.882 -12.164 1.00 0.00 H new ATOM 1020 N SER A 73 -3.894 13.384 -12.580 1.00 0.00 N ATOM 1021 CA SER A 73 -4.567 14.621 -12.971 1.00 0.00 C ATOM 1022 C SER A 73 -3.608 15.806 -12.872 1.00 0.00 C ATOM 1023 O SER A 73 -2.556 15.732 -12.236 1.00 0.00 O ATOM 1024 CB SER A 73 -5.788 14.861 -12.057 1.00 0.00 C ATOM 1025 OG SER A 73 -5.415 14.940 -10.691 1.00 0.00 O ATOM 0 H SER A 73 -3.140 13.529 -11.909 1.00 0.00 H new ATOM 0 HA SER A 73 -4.900 14.526 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.287 15.784 -12.352 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.507 14.053 -12.191 1.00 0.00 H new ATOM 0 HG SER A 73 -6.212 15.094 -10.143 1.00 0.00 H new ATOM 1031 N CYS A 74 -4.019 16.901 -13.498 1.00 0.00 N ATOM 1032 CA CYS A 74 -3.379 18.212 -13.376 1.00 0.00 C ATOM 1033 C CYS A 74 -4.217 19.028 -12.391 1.00 0.00 C ATOM 1034 O CYS A 74 -5.417 19.189 -12.601 1.00 0.00 O ATOM 1035 CB CYS A 74 -3.315 18.911 -14.757 1.00 0.00 C ATOM 1036 SG CYS A 74 -2.955 20.708 -14.714 1.00 0.00 S ATOM 0 H CYS A 74 -4.827 16.906 -14.121 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.354 18.115 -13.017 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.551 18.419 -15.359 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.267 18.761 -15.266 1.00 0.00 H new ATOM 1041 N ASN A 75 -3.607 19.545 -11.316 1.00 0.00 N ATOM 1042 CA ASN A 75 -4.336 20.347 -10.300 1.00 0.00 C ATOM 1043 C ASN A 75 -4.754 21.739 -10.856 1.00 0.00 C ATOM 1044 O ASN A 75 -5.487 22.486 -10.207 1.00 0.00 O ATOM 1045 CB ASN A 75 -3.463 20.486 -9.025 1.00 0.00 C ATOM 1046 CG ASN A 75 -4.204 21.077 -7.823 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -4.852 20.360 -7.067 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -4.120 22.391 -7.642 1.00 0.00 N ATOM 0 H ASN A 75 -2.613 19.428 -11.120 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.258 19.825 -10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.077 19.504 -8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.603 21.115 -9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.602 22.830 -6.857 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.573 22.961 -8.288 1.00 0.00 H new ATOM 1055 N ILE A 76 -4.313 22.053 -12.089 1.00 0.00 N ATOM 1056 CA ILE A 76 -4.510 23.368 -12.716 1.00 0.00 C ATOM 1057 C ILE A 76 -5.552 23.238 -13.850 1.00 0.00 C ATOM 1058 O ILE A 76 -6.323 24.166 -14.101 1.00 0.00 O ATOM 1059 CB ILE A 76 -3.135 23.944 -13.267 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -1.956 23.634 -12.252 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -3.255 25.460 -13.576 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -0.706 24.484 -12.379 1.00 0.00 C ATOM 0 H ILE A 76 -3.806 21.394 -12.680 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.881 24.071 -11.970 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.897 23.444 -14.206 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.342 23.745 -11.239 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.670 22.589 -12.371 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.302 25.831 -13.952 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.028 25.618 -14.328 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.520 25.997 -12.665 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.023 24.174 -11.630 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.280 24.358 -13.374 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.961 25.532 -12.224 1.00 0.00 H new ATOM 1074 N CYS A 77 -5.570 22.048 -14.503 1.00 0.00 N ATOM 1075 CA CYS A 77 -6.522 21.713 -15.572 1.00 0.00 C ATOM 1076 C CYS A 77 -6.388 20.209 -15.889 1.00 0.00 C ATOM 1077 O CYS A 77 -5.714 19.819 -16.842 1.00 0.00 O ATOM 1078 CB CYS A 77 -6.328 22.596 -16.841 1.00 0.00 C ATOM 1079 SG CYS A 77 -4.821 22.298 -17.836 1.00 0.00 S ATOM 0 H CYS A 77 -4.916 21.294 -14.294 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.534 21.925 -15.227 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.194 22.456 -17.487 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.328 23.641 -16.530 1.00 0.00 H new ATOM 1084 N GLY A 78 -6.861 19.398 -14.916 1.00 0.00 N ATOM 1085 CA GLY A 78 -6.952 17.923 -14.987 1.00 0.00 C ATOM 1086 C GLY A 78 -7.381 17.304 -16.310 1.00 0.00 C ATOM 1087 O GLY A 78 -8.510 16.834 -16.450 1.00 0.00 O ATOM 0 H GLY A 78 -7.202 19.766 -14.028 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.976 17.514 -14.726 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.652 17.593 -14.219 1.00 0.00 H new ATOM 1091 N LYS A 79 -6.437 17.275 -17.266 1.00 0.00 N ATOM 1092 CA LYS A 79 -6.577 16.563 -18.542 1.00 0.00 C ATOM 1093 C LYS A 79 -6.630 15.030 -18.327 1.00 0.00 C ATOM 1094 O LYS A 79 -7.135 14.303 -19.189 1.00 0.00 O ATOM 1095 CB LYS A 79 -5.391 16.985 -19.454 1.00 0.00 C ATOM 1096 CG LYS A 79 -5.588 16.801 -20.974 1.00 0.00 C ATOM 1097 CD LYS A 79 -5.187 15.394 -21.482 1.00 0.00 C ATOM 1098 CE LYS A 79 -5.367 15.238 -22.997 1.00 0.00 C ATOM 1099 NZ LYS A 79 -5.026 13.868 -23.467 1.00 0.00 N ATOM 0 H LYS A 79 -5.542 17.754 -17.170 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.518 16.829 -19.023 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.172 18.036 -19.264 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.511 16.416 -19.153 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.634 16.984 -21.222 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.999 17.551 -21.502 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.146 15.202 -21.222 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.788 14.642 -20.970 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.399 15.465 -23.263 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.738 15.964 -23.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.163 13.810 -24.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.033 13.659 -23.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.643 13.176 -22.996 1.00 0.00 H new ATOM 1113 N LYS A 80 -6.095 14.575 -17.161 1.00 0.00 N ATOM 1114 CA LYS A 80 -6.111 13.163 -16.713 1.00 0.00 C ATOM 1115 C LYS A 80 -5.157 12.337 -17.581 1.00 0.00 C ATOM 1116 O LYS A 80 -5.480 12.010 -18.727 1.00 0.00 O ATOM 1117 CB LYS A 80 -7.531 12.529 -16.716 1.00 0.00 C ATOM 1118 CG LYS A 80 -8.614 13.307 -15.948 1.00 0.00 C ATOM 1119 CD LYS A 80 -8.260 13.554 -14.461 1.00 0.00 C ATOM 1120 CE LYS A 80 -9.463 14.081 -13.663 1.00 0.00 C ATOM 1121 NZ LYS A 80 -10.067 15.304 -14.282 1.00 0.00 N ATOM 0 H LYS A 80 -5.633 15.195 -16.496 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.778 13.156 -15.675 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.856 12.417 -17.750 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.462 11.527 -16.293 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.777 14.267 -16.439 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.553 12.757 -16.003 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.907 12.625 -14.013 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.441 14.270 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.220 13.300 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.148 14.310 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.286 15.997 -13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.394 15.720 -14.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.942 15.045 -14.781 1.00 0.00 H new ATOM 1135 N PHE A 81 -3.985 12.021 -17.031 1.00 0.00 N ATOM 1136 CA PHE A 81 -2.852 11.473 -17.799 1.00 0.00 C ATOM 1137 C PHE A 81 -2.637 9.989 -17.501 1.00 0.00 C ATOM 1138 O PHE A 81 -3.109 9.478 -16.481 1.00 0.00 O ATOM 1139 CB PHE A 81 -1.580 12.290 -17.475 1.00 0.00 C ATOM 1140 CG PHE A 81 -1.765 13.790 -17.722 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -1.542 14.347 -18.981 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -2.198 14.636 -16.697 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -1.743 15.689 -19.197 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -2.392 15.976 -16.922 1.00 0.00 C ATOM 1145 CZ PHE A 81 -2.166 16.500 -18.167 1.00 0.00 C ATOM 0 H PHE A 81 -3.787 12.136 -16.037 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.076 11.554 -18.863 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.304 12.128 -16.433 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.753 11.925 -18.084 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.208 13.718 -19.793 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.383 14.229 -15.714 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.569 16.109 -20.177 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.723 16.617 -16.118 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.320 17.554 -18.342 1.00 0.00 H new ATOM 1155 N GLU A 82 -1.924 9.319 -18.424 1.00 0.00 N ATOM 1156 CA GLU A 82 -1.532 7.898 -18.306 1.00 0.00 C ATOM 1157 C GLU A 82 -0.668 7.622 -17.057 1.00 0.00 C ATOM 1158 O GLU A 82 -0.839 6.581 -16.405 1.00 0.00 O ATOM 1159 CB GLU A 82 -0.762 7.477 -19.590 1.00 0.00 C ATOM 1160 CG GLU A 82 0.442 8.387 -19.921 1.00 0.00 C ATOM 1161 CD GLU A 82 1.266 7.920 -21.128 1.00 0.00 C ATOM 1162 OE1 GLU A 82 0.827 8.133 -22.277 1.00 0.00 O ATOM 1163 OE2 GLU A 82 2.369 7.368 -20.934 1.00 0.00 O ATOM 0 H GLU A 82 -1.598 9.754 -19.287 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.442 7.309 -18.195 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.409 6.452 -19.472 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.452 7.481 -20.434 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.079 9.397 -20.111 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.093 8.441 -19.049 1.00 0.00 H new ATOM 1170 N LYS A 83 0.241 8.568 -16.738 1.00 0.00 N ATOM 1171 CA LYS A 83 1.138 8.463 -15.592 1.00 0.00 C ATOM 1172 C LYS A 83 1.815 9.803 -15.289 1.00 0.00 C ATOM 1173 O LYS A 83 1.705 10.765 -16.064 1.00 0.00 O ATOM 1174 CB LYS A 83 2.171 7.310 -15.779 1.00 0.00 C ATOM 1175 CG LYS A 83 3.017 7.358 -17.067 1.00 0.00 C ATOM 1176 CD LYS A 83 3.954 6.132 -17.190 1.00 0.00 C ATOM 1177 CE LYS A 83 4.704 6.103 -18.532 1.00 0.00 C ATOM 1178 NZ LYS A 83 5.536 7.317 -18.745 1.00 0.00 N ATOM 0 H LYS A 83 0.365 9.425 -17.277 1.00 0.00 H new ATOM 0 HA LYS A 83 0.535 8.208 -14.721 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.847 7.314 -14.924 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.634 6.362 -15.757 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.357 7.398 -17.933 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.612 8.271 -17.077 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.676 6.146 -16.373 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.369 5.218 -17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.340 5.219 -18.570 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.984 6.013 -19.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.230 7.135 -19.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.925 8.112 -19.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.035 7.555 -17.864 1.00 0.00 H new ATOM 1192 N LYS A 84 2.534 9.816 -14.156 1.00 0.00 N ATOM 1193 CA LYS A 84 3.157 11.012 -13.555 1.00 0.00 C ATOM 1194 C LYS A 84 4.091 11.739 -14.526 1.00 0.00 C ATOM 1195 O LYS A 84 4.161 12.965 -14.500 1.00 0.00 O ATOM 1196 CB LYS A 84 3.925 10.608 -12.267 1.00 0.00 C ATOM 1197 CG LYS A 84 3.020 10.090 -11.132 1.00 0.00 C ATOM 1198 CD LYS A 84 2.086 11.190 -10.567 1.00 0.00 C ATOM 1199 CE LYS A 84 2.832 12.274 -9.770 1.00 0.00 C ATOM 1200 NZ LYS A 84 3.462 11.715 -8.547 1.00 0.00 N ATOM 0 H LYS A 84 2.705 8.969 -13.614 1.00 0.00 H new ATOM 0 HA LYS A 84 2.357 11.710 -13.307 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.653 9.836 -12.518 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.486 11.470 -11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.417 9.261 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.641 9.697 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.550 11.660 -11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.338 10.726 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.597 12.728 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.137 13.066 -9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.794 12.492 -7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.765 11.144 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.269 11.116 -8.815 1.00 0.00 H new ATOM 1214 N ASP A 85 4.779 10.968 -15.388 1.00 0.00 N ATOM 1215 CA ASP A 85 5.714 11.511 -16.399 1.00 0.00 C ATOM 1216 C ASP A 85 5.024 12.558 -17.288 1.00 0.00 C ATOM 1217 O ASP A 85 5.563 13.647 -17.492 1.00 0.00 O ATOM 1218 CB ASP A 85 6.282 10.377 -17.276 1.00 0.00 C ATOM 1219 CG ASP A 85 6.972 9.286 -16.453 1.00 0.00 C ATOM 1220 OD1 ASP A 85 8.184 9.397 -16.181 1.00 0.00 O ATOM 1221 OD2 ASP A 85 6.292 8.318 -16.053 1.00 0.00 O ATOM 0 H ASP A 85 4.705 9.951 -15.406 1.00 0.00 H new ATOM 0 HA ASP A 85 6.532 11.995 -15.866 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.474 9.932 -17.857 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.994 10.795 -17.988 1.00 0.00 H new ATOM 1226 N SER A 86 3.799 12.227 -17.756 1.00 0.00 N ATOM 1227 CA SER A 86 3.009 13.105 -18.631 1.00 0.00 C ATOM 1228 C SER A 86 2.504 14.348 -17.863 1.00 0.00 C ATOM 1229 O SER A 86 2.366 15.414 -18.444 1.00 0.00 O ATOM 1230 CB SER A 86 1.826 12.329 -19.257 1.00 0.00 C ATOM 1231 OG SER A 86 1.126 13.119 -20.205 1.00 0.00 O ATOM 0 H SER A 86 3.337 11.345 -17.535 1.00 0.00 H new ATOM 0 HA SER A 86 3.658 13.450 -19.436 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.198 11.425 -19.740 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.141 12.012 -18.470 1.00 0.00 H new ATOM 0 HG SER A 86 0.403 13.605 -19.756 1.00 0.00 H new ATOM 1237 N VAL A 87 2.258 14.189 -16.545 1.00 0.00 N ATOM 1238 CA VAL A 87 1.667 15.248 -15.684 1.00 0.00 C ATOM 1239 C VAL A 87 2.713 16.352 -15.412 1.00 0.00 C ATOM 1240 O VAL A 87 2.430 17.557 -15.500 1.00 0.00 O ATOM 1241 CB VAL A 87 1.166 14.660 -14.303 1.00 0.00 C ATOM 1242 CG1 VAL A 87 0.365 15.715 -13.509 1.00 0.00 C ATOM 1243 CG2 VAL A 87 0.336 13.367 -14.491 1.00 0.00 C ATOM 0 H VAL A 87 2.462 13.325 -16.043 1.00 0.00 H new ATOM 0 HA VAL A 87 0.811 15.665 -16.215 1.00 0.00 H new ATOM 0 HB VAL A 87 2.053 14.396 -13.726 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.033 15.284 -12.564 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.999 16.580 -13.311 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.503 16.027 -14.091 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.012 12.998 -13.518 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.538 13.582 -15.106 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.948 12.610 -14.981 1.00 0.00 H new ATOM 1253 N VAL A 88 3.922 15.881 -15.098 1.00 0.00 N ATOM 1254 CA VAL A 88 5.090 16.708 -14.746 1.00 0.00 C ATOM 1255 C VAL A 88 5.598 17.421 -16.002 1.00 0.00 C ATOM 1256 O VAL A 88 5.971 18.605 -15.957 1.00 0.00 O ATOM 1257 CB VAL A 88 6.227 15.817 -14.100 1.00 0.00 C ATOM 1258 CG1 VAL A 88 7.522 16.628 -13.811 1.00 0.00 C ATOM 1259 CG2 VAL A 88 5.702 15.140 -12.806 1.00 0.00 C ATOM 0 H VAL A 88 4.127 14.882 -15.080 1.00 0.00 H new ATOM 0 HA VAL A 88 4.798 17.455 -14.008 1.00 0.00 H new ATOM 0 HB VAL A 88 6.493 15.048 -14.825 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.271 15.972 -13.368 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.907 17.042 -14.743 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.296 17.439 -13.119 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.492 14.529 -12.369 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.398 15.906 -12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.846 14.509 -13.047 1.00 0.00 H new ATOM 1269 N ALA A 89 5.546 16.685 -17.136 1.00 0.00 N ATOM 1270 CA ALA A 89 5.924 17.219 -18.448 1.00 0.00 C ATOM 1271 C ALA A 89 4.909 18.280 -18.888 1.00 0.00 C ATOM 1272 O ALA A 89 5.278 19.317 -19.434 1.00 0.00 O ATOM 1273 CB ALA A 89 6.010 16.101 -19.495 1.00 0.00 C ATOM 0 H ALA A 89 5.242 15.712 -17.159 1.00 0.00 H new ATOM 0 HA ALA A 89 6.910 17.676 -18.363 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.292 16.526 -20.458 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.759 15.371 -19.187 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.041 15.611 -19.584 1.00 0.00 H new ATOM 1279 N HIS A 90 3.623 18.018 -18.587 1.00 0.00 N ATOM 1280 CA HIS A 90 2.513 18.909 -18.963 1.00 0.00 C ATOM 1281 C HIS A 90 2.591 20.250 -18.216 1.00 0.00 C ATOM 1282 O HIS A 90 2.509 21.288 -18.835 1.00 0.00 O ATOM 1283 CB HIS A 90 1.148 18.218 -18.687 1.00 0.00 C ATOM 1284 CG HIS A 90 -0.046 19.143 -18.648 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -0.674 19.668 -19.759 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -0.712 19.640 -17.579 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -1.677 20.445 -19.332 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -1.735 20.457 -18.013 1.00 0.00 N ATOM 0 H HIS A 90 3.327 17.185 -18.078 1.00 0.00 H new ATOM 0 HA HIS A 90 2.598 19.115 -20.030 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.978 17.464 -19.456 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.211 17.692 -17.734 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -0.420 19.495 -20.731 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.478 19.429 -16.546 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.349 20.989 -19.980 1.00 0.00 H new ATOM 1296 N LYS A 91 2.758 20.198 -16.882 1.00 0.00 N ATOM 1297 CA LYS A 91 2.614 21.384 -16.002 1.00 0.00 C ATOM 1298 C LYS A 91 3.785 22.348 -16.221 1.00 0.00 C ATOM 1299 O LYS A 91 3.609 23.563 -16.242 1.00 0.00 O ATOM 1300 CB LYS A 91 2.528 20.984 -14.505 1.00 0.00 C ATOM 1301 CG LYS A 91 2.173 22.172 -13.578 1.00 0.00 C ATOM 1302 CD LYS A 91 2.229 21.862 -12.059 1.00 0.00 C ATOM 1303 CE LYS A 91 3.662 21.705 -11.495 1.00 0.00 C ATOM 1304 NZ LYS A 91 4.316 20.442 -11.908 1.00 0.00 N ATOM 0 H LYS A 91 2.995 19.341 -16.381 1.00 0.00 H new ATOM 0 HA LYS A 91 1.680 21.880 -16.267 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.778 20.202 -14.387 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.483 20.560 -14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.856 22.995 -13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.170 22.518 -13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.723 22.662 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.672 20.945 -11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.270 22.547 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.624 21.748 -10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.865 20.059 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.591 19.753 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.952 20.626 -12.710 1.00 0.00 H new ATOM 1318 N ALA A 92 4.979 21.770 -16.395 1.00 0.00 N ATOM 1319 CA ALA A 92 6.215 22.532 -16.621 1.00 0.00 C ATOM 1320 C ALA A 92 6.183 23.309 -17.959 1.00 0.00 C ATOM 1321 O ALA A 92 6.892 24.310 -18.113 1.00 0.00 O ATOM 1322 CB ALA A 92 7.423 21.597 -16.560 1.00 0.00 C ATOM 0 H ALA A 92 5.117 20.759 -16.383 1.00 0.00 H new ATOM 0 HA ALA A 92 6.300 23.275 -15.828 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.335 22.170 -16.729 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.468 21.124 -15.579 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.329 20.830 -17.329 1.00 0.00 H new ATOM 1328 N LYS A 93 5.354 22.832 -18.914 1.00 0.00 N ATOM 1329 CA LYS A 93 5.236 23.457 -20.265 1.00 0.00 C ATOM 1330 C LYS A 93 4.002 24.373 -20.355 1.00 0.00 C ATOM 1331 O LYS A 93 4.079 25.488 -20.879 1.00 0.00 O ATOM 1332 CB LYS A 93 5.146 22.367 -21.364 1.00 0.00 C ATOM 1333 CG LYS A 93 6.380 21.454 -21.475 1.00 0.00 C ATOM 1334 CD LYS A 93 6.199 20.349 -22.541 1.00 0.00 C ATOM 1335 CE LYS A 93 7.351 19.333 -22.549 1.00 0.00 C ATOM 1336 NZ LYS A 93 7.127 18.264 -23.550 1.00 0.00 N ATOM 0 H LYS A 93 4.754 22.018 -18.781 1.00 0.00 H new ATOM 0 HA LYS A 93 6.130 24.060 -20.422 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.270 21.748 -21.170 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.985 22.854 -22.326 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.254 22.056 -21.724 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.576 20.993 -20.507 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.261 19.825 -22.359 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.121 20.810 -23.526 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.288 19.846 -22.767 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.453 18.890 -21.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.924 17.596 -23.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.245 17.759 -23.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.055 18.686 -24.498 1.00 0.00 H new ATOM 1350 N SER A 94 2.877 23.879 -19.836 1.00 0.00 N ATOM 1351 CA SER A 94 1.562 24.521 -19.942 1.00 0.00 C ATOM 1352 C SER A 94 1.391 25.615 -18.879 1.00 0.00 C ATOM 1353 O SER A 94 0.627 26.563 -19.078 1.00 0.00 O ATOM 1354 CB SER A 94 0.449 23.451 -19.800 1.00 0.00 C ATOM 1355 OG SER A 94 -0.851 24.016 -19.810 1.00 0.00 O ATOM 0 H SER A 94 2.852 23.001 -19.318 1.00 0.00 H new ATOM 0 HA SER A 94 1.485 24.995 -20.920 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.535 22.731 -20.614 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.595 22.900 -18.871 1.00 0.00 H new ATOM 0 HG SER A 94 -1.518 23.301 -19.880 1.00 0.00 H new ATOM 1361 N HIS A 95 2.108 25.474 -17.739 1.00 0.00 N ATOM 1362 CA HIS A 95 1.967 26.394 -16.585 1.00 0.00 C ATOM 1363 C HIS A 95 3.355 26.805 -16.010 1.00 0.00 C ATOM 1364 O HIS A 95 3.667 26.481 -14.853 1.00 0.00 O ATOM 1365 CB HIS A 95 1.098 25.729 -15.466 1.00 0.00 C ATOM 1366 CG HIS A 95 -0.147 25.031 -15.959 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -1.190 25.671 -16.577 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -0.482 23.710 -15.940 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -2.095 24.752 -16.916 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -1.716 23.550 -16.545 1.00 0.00 N ATOM 0 H HIS A 95 2.791 24.731 -17.594 1.00 0.00 H new ATOM 0 HA HIS A 95 1.469 27.297 -16.938 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.713 25.007 -14.929 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.807 26.496 -14.748 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -1.261 26.674 -16.748 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.119 22.916 -15.521 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.020 24.968 -17.429 1.00 0.00 H new ATOM 1378 N PRO A 96 4.251 27.493 -16.806 1.00 0.00 N ATOM 1379 CA PRO A 96 5.397 28.223 -16.219 1.00 0.00 C ATOM 1380 C PRO A 96 4.913 29.545 -15.560 1.00 0.00 C ATOM 1381 O PRO A 96 5.573 30.095 -14.672 1.00 0.00 O ATOM 1382 CB PRO A 96 6.321 28.482 -17.432 1.00 0.00 C ATOM 1383 CG PRO A 96 5.401 28.522 -18.618 1.00 0.00 C ATOM 1384 CD PRO A 96 4.258 27.576 -18.294 1.00 0.00 C ATOM 0 HA PRO A 96 5.908 27.674 -15.428 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.864 29.421 -17.322 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.066 27.693 -17.536 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.033 29.533 -18.792 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.920 28.211 -19.525 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.309 27.955 -18.675 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.414 26.596 -18.745 1.00 0.00 H new ATOM 1392 N GLU A 97 3.762 30.040 -16.051 1.00 0.00 N ATOM 1393 CA GLU A 97 3.021 31.149 -15.492 1.00 0.00 C ATOM 1394 C GLU A 97 1.590 30.655 -15.221 1.00 0.00 C ATOM 1395 O GLU A 97 0.764 30.540 -16.135 1.00 0.00 O ATOM 1396 CB GLU A 97 3.039 32.358 -16.476 1.00 0.00 C ATOM 1397 CG GLU A 97 2.214 33.584 -16.030 1.00 0.00 C ATOM 1398 CD GLU A 97 2.611 34.126 -14.644 1.00 0.00 C ATOM 1399 OE1 GLU A 97 3.602 34.879 -14.548 1.00 0.00 O ATOM 1400 OE2 GLU A 97 1.929 33.808 -13.641 1.00 0.00 O ATOM 0 H GLU A 97 3.318 29.651 -16.883 1.00 0.00 H new ATOM 0 HA GLU A 97 3.471 31.495 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.073 32.670 -16.623 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.667 32.023 -17.444 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.331 34.378 -16.768 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.158 33.315 -16.016 1.00 0.00 H new ATOM 1407 N VAL A 98 1.342 30.297 -13.965 1.00 0.00 N ATOM 1408 CA VAL A 98 0.018 29.895 -13.460 1.00 0.00 C ATOM 1409 C VAL A 98 -0.613 31.073 -12.677 1.00 0.00 C ATOM 1410 O VAL A 98 0.004 31.549 -11.705 1.00 0.00 O ATOM 1411 CB VAL A 98 0.096 28.558 -12.598 1.00 0.00 C ATOM 1412 CG1 VAL A 98 1.295 28.557 -11.601 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -1.247 28.263 -11.866 1.00 0.00 C ATOM 1414 OXT VAL A 98 -1.725 31.526 -13.045 1.00 0.00 O ATOM 0 H VAL A 98 2.067 30.275 -13.248 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.630 29.662 -14.305 1.00 0.00 H new ATOM 0 HB VAL A 98 0.273 27.748 -13.306 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.300 27.623 -11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.229 28.653 -12.155 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.195 29.395 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.153 27.343 -11.289 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.485 29.089 -11.196 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.045 28.150 -12.600 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.334 1.051 3.960 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 0.465 1.333 -11.049 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -2.765 21.780 -16.801 1.00 0.00 ZN