USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLN : amide:sc= -1.69 K(o=-1.7,f=-3!) USER MOD Single : A 1 GLN N :NH3+ -127:sc= -0.608 (180deg=-0.818) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 176:sc= 0.0766 USER MOD Single : A 7 TYR OH : rot -36:sc= 0.581 USER MOD Single : A 9 SER OG : rot -170:sc= -0.748 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.37! C(o=-3.4!,f=-8.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.0504 USER MOD Single : A 32 HIS : no HE2:sc= 0.0254 K(o=0.025,f=-3.9!) USER MOD Single : A 34 SER OG : rot 180:sc=0.000846 USER MOD Single : A 39 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 140:sc= -5.67! (180deg=-9.38!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.15! C(o=-2.1!,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.45 (180deg=-4.11!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.837 -0.141 0.644 1.00 42.40 N ATOM 2 CA GLN A 1 2.708 -0.229 -0.523 1.00 13.25 C ATOM 3 C GLN A 1 2.350 -1.439 -1.379 1.00 32.25 C ATOM 4 O GLN A 1 2.379 -1.373 -2.608 1.00 32.34 O ATOM 5 CB GLN A 1 4.172 -0.312 -0.087 1.00 52.25 C ATOM 6 CG GLN A 1 4.484 -1.529 0.768 1.00 63.13 C ATOM 7 CD GLN A 1 5.511 -1.238 1.844 1.00 23.11 C ATOM 8 OE1 GLN A 1 6.174 -0.201 1.822 1.00 43.35 O ATOM 9 NE2 GLN A 1 5.649 -2.155 2.795 1.00 14.31 N ATOM 0 H1 GLN A 1 1.409 0.806 0.687 1.00 42.40 H new ATOM 0 H2 GLN A 1 1.087 -0.857 0.572 1.00 42.40 H new ATOM 0 H3 GLN A 1 2.394 -0.309 1.506 1.00 42.40 H new ATOM 0 HA GLN A 1 2.565 0.671 -1.121 1.00 13.25 H new ATOM 0 HB2 GLN A 1 4.806 -0.329 -0.973 1.00 52.25 H new ATOM 0 HB3 GLN A 1 4.428 0.589 0.471 1.00 52.25 H new ATOM 0 HG2 GLN A 1 3.566 -1.886 1.234 1.00 63.13 H new ATOM 0 HG3 GLN A 1 4.850 -2.333 0.129 1.00 63.13 H new ATOM 0 HE21 GLN A 1 5.079 -3.000 2.775 1.00 14.31 H new ATOM 0 HE22 GLN A 1 6.325 -2.014 3.545 1.00 14.31 H new ATOM 18 N TYR A 2 2.013 -2.543 -0.721 1.00 61.43 N ATOM 19 CA TYR A 2 1.652 -3.770 -1.422 1.00 42.02 C ATOM 20 C TYR A 2 0.625 -4.570 -0.627 1.00 1.12 C ATOM 21 O TYR A 2 0.238 -4.183 0.476 1.00 33.41 O ATOM 22 CB TYR A 2 2.896 -4.623 -1.673 1.00 64.55 C ATOM 23 CG TYR A 2 3.688 -4.197 -2.889 1.00 72.23 C ATOM 24 CD1 TYR A 2 3.299 -4.584 -4.166 1.00 62.30 C ATOM 25 CD2 TYR A 2 4.824 -3.408 -2.762 1.00 23.34 C ATOM 26 CE1 TYR A 2 4.019 -4.198 -5.280 1.00 4.12 C ATOM 27 CE2 TYR A 2 5.550 -3.016 -3.870 1.00 14.12 C ATOM 28 CZ TYR A 2 5.143 -3.413 -5.127 1.00 24.34 C ATOM 29 OH TYR A 2 5.864 -3.026 -6.233 1.00 1.21 O ATOM 0 H TYR A 2 1.982 -2.613 0.296 1.00 61.43 H new ATOM 0 HA TYR A 2 1.209 -3.495 -2.379 1.00 42.02 H new ATOM 0 HB2 TYR A 2 3.541 -4.577 -0.795 1.00 64.55 H new ATOM 0 HB3 TYR A 2 2.595 -5.664 -1.793 1.00 64.55 H new ATOM 0 HD1 TYR A 2 2.419 -5.197 -4.290 1.00 62.30 H new ATOM 0 HD2 TYR A 2 5.145 -3.095 -1.779 1.00 23.34 H new ATOM 0 HE1 TYR A 2 3.704 -4.509 -6.265 1.00 4.12 H new ATOM 0 HE2 TYR A 2 6.431 -2.402 -3.753 1.00 14.12 H new ATOM 0 HH TYR A 2 6.625 -2.476 -5.952 1.00 1.21 H new ATOM 39 N LYS A 3 0.188 -5.689 -1.195 1.00 11.24 N ATOM 40 CA LYS A 3 -0.793 -6.547 -0.540 1.00 42.23 C ATOM 41 C LYS A 3 -0.105 -7.597 0.326 1.00 1.22 C ATOM 42 O LYS A 3 0.717 -8.375 -0.160 1.00 14.30 O ATOM 43 CB LYS A 3 -1.678 -7.232 -1.584 1.00 14.23 C ATOM 44 CG LYS A 3 -3.008 -7.713 -1.031 1.00 35.43 C ATOM 45 CD LYS A 3 -3.960 -8.121 -2.143 1.00 20.31 C ATOM 46 CE LYS A 3 -4.702 -6.921 -2.710 1.00 12.34 C ATOM 47 NZ LYS A 3 -5.979 -7.317 -3.366 1.00 30.14 N ATOM 0 H LYS A 3 0.498 -6.023 -2.108 1.00 11.24 H new ATOM 0 HA LYS A 3 -1.415 -5.923 0.102 1.00 42.23 H new ATOM 0 HB2 LYS A 3 -1.864 -6.537 -2.403 1.00 14.23 H new ATOM 0 HB3 LYS A 3 -1.140 -8.082 -2.004 1.00 14.23 H new ATOM 0 HG2 LYS A 3 -2.841 -8.559 -0.365 1.00 35.43 H new ATOM 0 HG3 LYS A 3 -3.462 -6.922 -0.434 1.00 35.43 H new ATOM 0 HD2 LYS A 3 -3.402 -8.614 -2.939 1.00 20.31 H new ATOM 0 HD3 LYS A 3 -4.678 -8.847 -1.761 1.00 20.31 H new ATOM 0 HE2 LYS A 3 -4.910 -6.211 -1.909 1.00 12.34 H new ATOM 0 HE3 LYS A 3 -4.066 -6.409 -3.432 1.00 12.34 H new ATOM 0 HZ1 LYS A 3 -6.454 -6.471 -3.739 1.00 30.14 H new ATOM 0 HZ2 LYS A 3 -5.779 -7.975 -4.147 1.00 30.14 H new ATOM 0 HZ3 LYS A 3 -6.597 -7.783 -2.671 1.00 30.14 H new ATOM 61 N ILE A 4 -0.447 -7.614 1.610 1.00 4.01 N ATOM 62 CA ILE A 4 0.137 -8.571 2.543 1.00 54.54 C ATOM 63 C ILE A 4 -0.282 -9.996 2.201 1.00 33.51 C ATOM 64 O ILE A 4 -1.405 -10.411 2.489 1.00 15.53 O ATOM 65 CB ILE A 4 -0.272 -8.261 3.995 1.00 24.40 C ATOM 66 CG1 ILE A 4 0.013 -6.795 4.327 1.00 61.12 C ATOM 67 CG2 ILE A 4 0.464 -9.181 4.959 1.00 54.41 C ATOM 68 CD1 ILE A 4 1.481 -6.436 4.267 1.00 63.12 C ATOM 0 H ILE A 4 -1.125 -6.977 2.028 1.00 4.01 H new ATOM 0 HA ILE A 4 1.220 -8.482 2.452 1.00 54.54 H new ATOM 0 HB ILE A 4 -1.343 -8.436 4.101 1.00 24.40 H new ATOM 0 HG12 ILE A 4 -0.537 -6.160 3.632 1.00 61.12 H new ATOM 0 HG13 ILE A 4 -0.366 -6.577 5.326 1.00 61.12 H new ATOM 0 HG21 ILE A 4 0.165 -8.951 5.982 1.00 54.41 H new ATOM 0 HG22 ILE A 4 0.216 -10.218 4.733 1.00 54.41 H new ATOM 0 HG23 ILE A 4 1.539 -9.034 4.853 1.00 54.41 H new ATOM 0 HD11 ILE A 4 1.608 -5.382 4.514 1.00 63.12 H new ATOM 0 HD12 ILE A 4 2.034 -7.045 4.982 1.00 63.12 H new ATOM 0 HD13 ILE A 4 1.860 -6.622 3.262 1.00 63.12 H new ATOM 80 N TYR A 5 0.628 -10.744 1.587 1.00 3.42 N ATOM 81 CA TYR A 5 0.354 -12.124 1.206 1.00 54.22 C ATOM 82 C TYR A 5 0.802 -13.090 2.298 1.00 70.33 C ATOM 83 O TYR A 5 1.627 -12.764 3.151 1.00 1.12 O ATOM 84 CB TYR A 5 1.057 -12.461 -0.110 1.00 24.12 C ATOM 85 CG TYR A 5 0.275 -12.053 -1.337 1.00 54.33 C ATOM 86 CD1 TYR A 5 -1.055 -12.425 -1.494 1.00 2.35 C ATOM 87 CD2 TYR A 5 0.865 -11.294 -2.341 1.00 13.45 C ATOM 88 CE1 TYR A 5 -1.773 -12.054 -2.614 1.00 32.43 C ATOM 89 CE2 TYR A 5 0.153 -10.917 -3.464 1.00 24.45 C ATOM 90 CZ TYR A 5 -1.165 -11.301 -3.596 1.00 0.43 C ATOM 91 OH TYR A 5 -1.878 -10.928 -4.712 1.00 63.55 O ATOM 0 H TYR A 5 1.563 -10.417 1.342 1.00 3.42 H new ATOM 0 HA TYR A 5 -0.723 -12.230 1.072 1.00 54.22 H new ATOM 0 HB2 TYR A 5 2.029 -11.969 -0.129 1.00 24.12 H new ATOM 0 HB3 TYR A 5 1.243 -13.534 -0.148 1.00 24.12 H new ATOM 0 HD1 TYR A 5 -1.535 -13.014 -0.727 1.00 2.35 H new ATOM 0 HD2 TYR A 5 1.898 -10.994 -2.242 1.00 13.45 H new ATOM 0 HE1 TYR A 5 -2.806 -12.352 -2.720 1.00 32.43 H new ATOM 0 HE2 TYR A 5 0.626 -10.325 -4.234 1.00 24.45 H new ATOM 0 HH TYR A 5 -1.326 -10.343 -5.272 1.00 63.55 H new ATOM 101 N PRO A 6 0.246 -14.311 2.271 1.00 50.31 N ATOM 102 CA PRO A 6 0.573 -15.351 3.250 1.00 63.40 C ATOM 103 C PRO A 6 1.991 -15.886 3.076 1.00 73.14 C ATOM 104 O PRO A 6 2.397 -16.247 1.971 1.00 72.32 O ATOM 105 CB PRO A 6 -0.452 -16.449 2.957 1.00 72.41 C ATOM 106 CG PRO A 6 -0.822 -16.250 1.528 1.00 74.24 C ATOM 107 CD PRO A 6 -0.745 -14.769 1.282 1.00 3.44 C ATOM 0 HA PRO A 6 0.535 -14.975 4.272 1.00 63.40 H new ATOM 0 HB2 PRO A 6 -0.029 -17.440 3.122 1.00 72.41 H new ATOM 0 HB3 PRO A 6 -1.322 -16.362 3.607 1.00 72.41 H new ATOM 0 HG2 PRO A 6 -0.142 -16.791 0.870 1.00 74.24 H new ATOM 0 HG3 PRO A 6 -1.825 -16.627 1.329 1.00 74.24 H new ATOM 0 HD2 PRO A 6 -0.428 -14.547 0.263 1.00 3.44 H new ATOM 0 HD3 PRO A 6 -1.711 -14.286 1.428 1.00 3.44 H new ATOM 115 N TYR A 7 2.739 -15.934 4.172 1.00 33.42 N ATOM 116 CA TYR A 7 4.112 -16.423 4.140 1.00 71.42 C ATOM 117 C TYR A 7 4.151 -17.920 3.844 1.00 54.54 C ATOM 118 O TYR A 7 5.091 -18.417 3.225 1.00 62.25 O ATOM 119 CB TYR A 7 4.809 -16.138 5.471 1.00 11.40 C ATOM 120 CG TYR A 7 6.170 -16.784 5.593 1.00 62.21 C ATOM 121 CD1 TYR A 7 7.286 -16.220 4.988 1.00 41.34 C ATOM 122 CD2 TYR A 7 6.341 -17.959 6.315 1.00 75.45 C ATOM 123 CE1 TYR A 7 8.531 -16.808 5.096 1.00 45.42 C ATOM 124 CE2 TYR A 7 7.582 -18.554 6.429 1.00 5.53 C ATOM 125 CZ TYR A 7 8.675 -17.974 5.818 1.00 74.22 C ATOM 126 OH TYR A 7 9.914 -18.562 5.929 1.00 32.11 O ATOM 0 H TYR A 7 2.418 -15.640 5.094 1.00 33.42 H new ATOM 0 HA TYR A 7 4.638 -15.899 3.342 1.00 71.42 H new ATOM 0 HB2 TYR A 7 4.916 -15.060 5.592 1.00 11.40 H new ATOM 0 HB3 TYR A 7 4.175 -16.489 6.286 1.00 11.40 H new ATOM 0 HD1 TYR A 7 7.178 -15.306 4.423 1.00 41.34 H new ATOM 0 HD2 TYR A 7 5.488 -18.415 6.796 1.00 75.45 H new ATOM 0 HE1 TYR A 7 9.388 -16.357 4.617 1.00 45.42 H new ATOM 0 HE2 TYR A 7 7.696 -19.468 6.993 1.00 5.53 H new ATOM 0 HH TYR A 7 10.410 -18.440 5.093 1.00 32.11 H new ATOM 136 N ASP A 8 3.121 -18.631 4.290 1.00 43.11 N ATOM 137 CA ASP A 8 3.035 -20.070 4.072 1.00 32.22 C ATOM 138 C ASP A 8 2.837 -20.385 2.593 1.00 60.13 C ATOM 139 O ASP A 8 3.338 -21.390 2.089 1.00 23.44 O ATOM 140 CB ASP A 8 1.887 -20.663 4.890 1.00 33.34 C ATOM 141 CG ASP A 8 0.589 -19.901 4.705 1.00 63.34 C ATOM 142 OD1 ASP A 8 0.501 -18.753 5.188 1.00 52.11 O ATOM 143 OD2 ASP A 8 -0.337 -20.453 4.075 1.00 12.11 O ATOM 0 H ASP A 8 2.335 -18.234 4.804 1.00 43.11 H new ATOM 0 HA ASP A 8 3.973 -20.519 4.398 1.00 32.22 H new ATOM 0 HB2 ASP A 8 1.738 -21.703 4.601 1.00 33.34 H new ATOM 0 HB3 ASP A 8 2.158 -20.661 5.946 1.00 33.34 H new ATOM 148 N SER A 9 2.102 -19.519 1.902 1.00 63.44 N ATOM 149 CA SER A 9 1.834 -19.708 0.481 1.00 51.32 C ATOM 150 C SER A 9 2.876 -18.987 -0.369 1.00 52.51 C ATOM 151 O SER A 9 3.041 -19.282 -1.553 1.00 60.43 O ATOM 152 CB SER A 9 0.434 -19.198 0.133 1.00 70.33 C ATOM 153 OG SER A 9 -0.375 -19.099 1.292 1.00 54.14 O ATOM 0 H SER A 9 1.682 -18.680 2.303 1.00 63.44 H new ATOM 0 HA SER A 9 1.889 -20.775 0.264 1.00 51.32 H new ATOM 0 HB2 SER A 9 0.508 -18.222 -0.347 1.00 70.33 H new ATOM 0 HB3 SER A 9 -0.034 -19.872 -0.585 1.00 70.33 H new ATOM 0 HG SER A 9 -1.303 -18.925 1.029 1.00 54.14 H new ATOM 159 N LEU A 10 3.576 -18.039 0.244 1.00 42.44 N ATOM 160 CA LEU A 10 4.603 -17.274 -0.455 1.00 41.52 C ATOM 161 C LEU A 10 5.912 -18.053 -0.522 1.00 23.32 C ATOM 162 O LEU A 10 6.617 -18.017 -1.531 1.00 1.10 O ATOM 163 CB LEU A 10 4.831 -15.931 0.243 1.00 74.44 C ATOM 164 CG LEU A 10 4.019 -14.751 -0.292 1.00 41.11 C ATOM 165 CD1 LEU A 10 4.299 -13.498 0.523 1.00 44.21 C ATOM 166 CD2 LEU A 10 4.329 -14.513 -1.763 1.00 20.22 C ATOM 0 H LEU A 10 3.451 -17.782 1.223 1.00 42.44 H new ATOM 0 HA LEU A 10 4.256 -17.094 -1.473 1.00 41.52 H new ATOM 0 HB2 LEU A 10 4.605 -16.052 1.302 1.00 74.44 H new ATOM 0 HB3 LEU A 10 5.889 -15.681 0.170 1.00 74.44 H new ATOM 0 HG LEU A 10 2.960 -14.991 -0.199 1.00 41.11 H new ATOM 0 HD11 LEU A 10 3.713 -12.668 0.128 1.00 44.21 H new ATOM 0 HD12 LEU A 10 4.026 -13.672 1.564 1.00 44.21 H new ATOM 0 HD13 LEU A 10 5.360 -13.254 0.462 1.00 44.21 H new ATOM 0 HD21 LEU A 10 3.742 -13.670 -2.127 1.00 20.22 H new ATOM 0 HD22 LEU A 10 5.390 -14.294 -1.880 1.00 20.22 H new ATOM 0 HD23 LEU A 10 4.077 -15.405 -2.337 1.00 20.22 H new ATOM 178 N ILE A 11 6.230 -18.759 0.558 1.00 22.02 N ATOM 179 CA ILE A 11 7.453 -19.550 0.621 1.00 73.35 C ATOM 180 C ILE A 11 7.536 -20.526 -0.548 1.00 62.12 C ATOM 181 O ILE A 11 6.604 -21.290 -0.802 1.00 2.55 O ATOM 182 CB ILE A 11 7.547 -20.338 1.940 1.00 34.34 C ATOM 183 CG1 ILE A 11 6.260 -21.132 2.179 1.00 41.53 C ATOM 184 CG2 ILE A 11 7.816 -19.395 3.103 1.00 44.52 C ATOM 185 CD1 ILE A 11 6.272 -21.931 3.463 1.00 64.45 C ATOM 0 H ILE A 11 5.658 -18.799 1.401 1.00 22.02 H new ATOM 0 HA ILE A 11 8.286 -18.849 0.567 1.00 73.35 H new ATOM 0 HB ILE A 11 8.377 -21.040 1.867 1.00 34.34 H new ATOM 0 HG12 ILE A 11 5.416 -20.443 2.197 1.00 41.53 H new ATOM 0 HG13 ILE A 11 6.100 -21.810 1.340 1.00 41.53 H new ATOM 0 HG21 ILE A 11 7.880 -19.967 4.028 1.00 44.52 H new ATOM 0 HG22 ILE A 11 8.756 -18.870 2.936 1.00 44.52 H new ATOM 0 HG23 ILE A 11 7.005 -18.671 3.179 1.00 44.52 H new ATOM 0 HD11 ILE A 11 5.329 -22.468 3.566 1.00 64.45 H new ATOM 0 HD12 ILE A 11 7.095 -22.645 3.440 1.00 64.45 H new ATOM 0 HD13 ILE A 11 6.400 -21.257 4.310 1.00 64.45 H new ATOM 197 N VAL A 12 8.660 -20.497 -1.257 1.00 63.12 N ATOM 198 CA VAL A 12 8.868 -21.381 -2.398 1.00 33.21 C ATOM 199 C VAL A 12 8.774 -22.845 -1.983 1.00 24.12 C ATOM 200 O VAL A 12 8.403 -23.707 -2.781 1.00 2.52 O ATOM 201 CB VAL A 12 10.236 -21.133 -3.059 1.00 45.30 C ATOM 202 CG1 VAL A 12 10.450 -19.646 -3.302 1.00 63.52 C ATOM 203 CG2 VAL A 12 11.354 -21.707 -2.201 1.00 70.15 C ATOM 0 H VAL A 12 9.441 -19.871 -1.061 1.00 63.12 H new ATOM 0 HA VAL A 12 8.080 -21.159 -3.118 1.00 33.21 H new ATOM 0 HB VAL A 12 10.251 -21.641 -4.023 1.00 45.30 H new ATOM 0 HG11 VAL A 12 11.422 -19.490 -3.770 1.00 63.52 H new ATOM 0 HG12 VAL A 12 9.666 -19.268 -3.959 1.00 63.52 H new ATOM 0 HG13 VAL A 12 10.415 -19.113 -2.352 1.00 63.52 H new ATOM 0 HG21 VAL A 12 12.314 -21.523 -2.683 1.00 70.15 H new ATOM 0 HG22 VAL A 12 11.343 -21.229 -1.221 1.00 70.15 H new ATOM 0 HG23 VAL A 12 11.207 -22.781 -2.083 1.00 70.15 H new ATOM 213 N THR A 13 9.114 -23.121 -0.727 1.00 75.43 N ATOM 214 CA THR A 13 9.069 -24.481 -0.205 1.00 71.31 C ATOM 215 C THR A 13 7.671 -25.076 -0.338 1.00 4.43 C ATOM 216 O THR A 13 7.507 -26.294 -0.393 1.00 4.54 O ATOM 217 CB THR A 13 9.497 -24.530 1.274 1.00 53.52 C ATOM 218 OG1 THR A 13 9.386 -25.867 1.773 1.00 75.24 O ATOM 219 CG2 THR A 13 8.640 -23.596 2.116 1.00 71.13 C ATOM 0 H THR A 13 9.423 -22.421 -0.053 1.00 75.43 H new ATOM 0 HA THR A 13 9.769 -25.070 -0.798 1.00 71.31 H new ATOM 0 HB THR A 13 10.535 -24.204 1.340 1.00 53.52 H new ATOM 0 HG1 THR A 13 9.661 -25.889 2.713 1.00 75.24 H new ATOM 0 HG21 THR A 13 8.960 -23.647 3.157 1.00 71.13 H new ATOM 0 HG22 THR A 13 8.750 -22.574 1.752 1.00 71.13 H new ATOM 0 HG23 THR A 13 7.595 -23.896 2.043 1.00 71.13 H new ATOM 227 N ASN A 14 6.667 -24.207 -0.389 1.00 75.13 N ATOM 228 CA ASN A 14 5.282 -24.647 -0.516 1.00 32.12 C ATOM 229 C ASN A 14 4.797 -24.510 -1.956 1.00 30.21 C ATOM 230 O ASN A 14 3.637 -24.790 -2.260 1.00 44.04 O ATOM 231 CB ASN A 14 4.380 -23.836 0.417 1.00 20.31 C ATOM 232 CG ASN A 14 3.111 -24.580 0.785 1.00 74.23 C ATOM 233 OD1 ASN A 14 2.056 -24.364 0.187 1.00 62.31 O ATOM 234 ND2 ASN A 14 3.207 -25.462 1.773 1.00 12.31 N ATOM 0 H ASN A 14 6.786 -23.195 -0.344 1.00 75.13 H new ATOM 0 HA ASN A 14 5.234 -25.699 -0.234 1.00 32.12 H new ATOM 0 HB2 ASN A 14 4.930 -23.589 1.325 1.00 20.31 H new ATOM 0 HB3 ASN A 14 4.119 -22.893 -0.064 1.00 20.31 H new ATOM 0 HD21 ASN A 14 2.386 -25.993 2.064 1.00 12.31 H new ATOM 0 HD22 ASN A 14 4.102 -25.609 2.241 1.00 12.31 H new ATOM 241 N ARG A 15 5.693 -24.079 -2.838 1.00 12.44 N ATOM 242 CA ARG A 15 5.357 -23.904 -4.245 1.00 55.04 C ATOM 243 C ARG A 15 4.816 -25.201 -4.840 1.00 62.12 C ATOM 244 O ARG A 15 4.082 -25.183 -5.828 1.00 73.54 O ATOM 245 CB ARG A 15 6.585 -23.443 -5.032 1.00 10.43 C ATOM 246 CG ARG A 15 7.550 -24.568 -5.370 1.00 14.43 C ATOM 247 CD ARG A 15 8.958 -24.043 -5.602 1.00 11.02 C ATOM 248 NE ARG A 15 9.619 -24.722 -6.713 1.00 32.30 N ATOM 249 CZ ARG A 15 10.754 -24.303 -7.260 1.00 41.42 C ATOM 250 NH1 ARG A 15 11.352 -23.212 -6.801 1.00 54.42 N ATOM 251 NH2 ARG A 15 11.294 -24.975 -8.269 1.00 2.13 N ATOM 0 H ARG A 15 6.657 -23.845 -2.602 1.00 12.44 H new ATOM 0 HA ARG A 15 4.582 -23.141 -4.315 1.00 55.04 H new ATOM 0 HB2 ARG A 15 6.256 -22.968 -5.956 1.00 10.43 H new ATOM 0 HB3 ARG A 15 7.113 -22.685 -4.454 1.00 10.43 H new ATOM 0 HG2 ARG A 15 7.561 -25.296 -4.558 1.00 14.43 H new ATOM 0 HG3 ARG A 15 7.204 -25.090 -6.262 1.00 14.43 H new ATOM 0 HD2 ARG A 15 8.917 -22.973 -5.804 1.00 11.02 H new ATOM 0 HD3 ARG A 15 9.548 -24.174 -4.695 1.00 11.02 H new ATOM 0 HE ARG A 15 9.185 -25.565 -7.090 1.00 32.30 H new ATOM 0 HH11 ARG A 15 10.940 -22.692 -6.026 1.00 54.42 H new ATOM 0 HH12 ARG A 15 12.224 -22.892 -7.223 1.00 54.42 H new ATOM 0 HH21 ARG A 15 10.837 -25.814 -8.625 1.00 2.13 H new ATOM 0 HH22 ARG A 15 12.166 -24.652 -8.688 1.00 2.13 H new ATOM 265 N ILE A 16 5.185 -26.323 -4.232 1.00 63.54 N ATOM 266 CA ILE A 16 4.737 -27.629 -4.702 1.00 2.34 C ATOM 267 C ILE A 16 3.273 -27.866 -4.350 1.00 75.21 C ATOM 268 O ILE A 16 2.583 -28.643 -5.011 1.00 51.54 O ATOM 269 CB ILE A 16 5.588 -28.765 -4.103 1.00 51.41 C ATOM 270 CG1 ILE A 16 5.258 -30.093 -4.787 1.00 44.25 C ATOM 271 CG2 ILE A 16 5.358 -28.864 -2.603 1.00 31.24 C ATOM 272 CD1 ILE A 16 6.411 -30.666 -5.581 1.00 45.13 C ATOM 0 H ILE A 16 5.793 -26.355 -3.413 1.00 63.54 H new ATOM 0 HA ILE A 16 4.853 -27.632 -5.786 1.00 2.34 H new ATOM 0 HB ILE A 16 6.641 -28.541 -4.275 1.00 51.41 H new ATOM 0 HG12 ILE A 16 4.953 -30.816 -4.031 1.00 44.25 H new ATOM 0 HG13 ILE A 16 4.406 -29.948 -5.451 1.00 44.25 H new ATOM 0 HG21 ILE A 16 5.966 -29.671 -2.194 1.00 31.24 H new ATOM 0 HG22 ILE A 16 5.638 -27.923 -2.129 1.00 31.24 H new ATOM 0 HG23 ILE A 16 4.305 -29.069 -2.409 1.00 31.24 H new ATOM 0 HD11 ILE A 16 6.106 -31.607 -6.038 1.00 45.13 H new ATOM 0 HD12 ILE A 16 6.702 -29.962 -6.360 1.00 45.13 H new ATOM 0 HD13 ILE A 16 7.257 -30.843 -4.917 1.00 45.13 H new ATOM 284 N ARG A 17 2.803 -27.191 -3.306 1.00 24.22 N ATOM 285 CA ARG A 17 1.420 -27.328 -2.866 1.00 60.15 C ATOM 286 C ARG A 17 0.554 -26.210 -3.440 1.00 62.33 C ATOM 287 O ARG A 17 -0.472 -26.467 -4.070 1.00 41.33 O ATOM 288 CB ARG A 17 1.344 -27.313 -1.339 1.00 31.53 C ATOM 289 CG ARG A 17 2.423 -28.148 -0.667 1.00 54.41 C ATOM 290 CD ARG A 17 2.424 -29.577 -1.185 1.00 65.32 C ATOM 291 NE ARG A 17 1.128 -30.226 -1.007 1.00 2.22 N ATOM 292 CZ ARG A 17 0.684 -30.671 0.163 1.00 20.12 C ATOM 293 NH1 ARG A 17 1.428 -30.538 1.253 1.00 70.24 N ATOM 294 NH2 ARG A 17 -0.507 -31.250 0.245 1.00 20.43 N ATOM 0 H ARG A 17 3.360 -26.543 -2.749 1.00 24.22 H new ATOM 0 HA ARG A 17 1.042 -28.282 -3.232 1.00 60.15 H new ATOM 0 HB2 ARG A 17 1.423 -26.283 -0.990 1.00 31.53 H new ATOM 0 HB3 ARG A 17 0.366 -27.681 -1.029 1.00 31.53 H new ATOM 0 HG2 ARG A 17 3.398 -27.695 -0.844 1.00 54.41 H new ATOM 0 HG3 ARG A 17 2.264 -28.151 0.411 1.00 54.41 H new ATOM 0 HD2 ARG A 17 2.688 -29.579 -2.243 1.00 65.32 H new ATOM 0 HD3 ARG A 17 3.191 -30.151 -0.664 1.00 65.32 H new ATOM 0 HE ARG A 17 0.531 -30.344 -1.826 1.00 2.22 H new ATOM 0 HH11 ARG A 17 2.344 -30.093 1.194 1.00 70.24 H new ATOM 0 HH12 ARG A 17 1.084 -30.881 2.150 1.00 70.24 H new ATOM 0 HH21 ARG A 17 -1.082 -31.354 -0.591 1.00 20.43 H new ATOM 0 HH22 ARG A 17 -0.847 -31.591 1.144 1.00 20.43 H new ATOM 308 N VAL A 18 0.975 -24.969 -3.217 1.00 72.23 N ATOM 309 CA VAL A 18 0.239 -23.812 -3.712 1.00 73.03 C ATOM 310 C VAL A 18 1.136 -22.906 -4.548 1.00 22.03 C ATOM 311 O VAL A 18 2.328 -22.768 -4.271 1.00 60.14 O ATOM 312 CB VAL A 18 -0.364 -22.993 -2.555 1.00 71.42 C ATOM 313 CG1 VAL A 18 0.737 -22.427 -1.672 1.00 13.43 C ATOM 314 CG2 VAL A 18 -1.251 -21.882 -3.095 1.00 52.22 C ATOM 0 H VAL A 18 1.822 -24.739 -2.697 1.00 72.23 H new ATOM 0 HA VAL A 18 -0.569 -24.194 -4.336 1.00 73.03 H new ATOM 0 HB VAL A 18 -0.980 -23.655 -1.946 1.00 71.42 H new ATOM 0 HG11 VAL A 18 0.292 -21.851 -0.860 1.00 13.43 H new ATOM 0 HG12 VAL A 18 1.327 -23.244 -1.257 1.00 13.43 H new ATOM 0 HG13 VAL A 18 1.382 -21.779 -2.265 1.00 13.43 H new ATOM 0 HG21 VAL A 18 -1.669 -21.314 -2.264 1.00 52.22 H new ATOM 0 HG22 VAL A 18 -0.660 -21.219 -3.727 1.00 52.22 H new ATOM 0 HG23 VAL A 18 -2.061 -22.316 -3.681 1.00 52.22 H new ATOM 324 N LYS A 19 0.556 -22.289 -5.571 1.00 71.04 N ATOM 325 CA LYS A 19 1.301 -21.394 -6.448 1.00 5.40 C ATOM 326 C LYS A 19 0.998 -19.935 -6.121 1.00 54.14 C ATOM 327 O LYS A 19 -0.118 -19.597 -5.723 1.00 2.40 O ATOM 328 CB LYS A 19 0.962 -21.681 -7.912 1.00 42.34 C ATOM 329 CG LYS A 19 -0.530 -21.721 -8.194 1.00 63.34 C ATOM 330 CD LYS A 19 -1.067 -23.142 -8.151 1.00 11.13 C ATOM 331 CE LYS A 19 -0.620 -23.944 -9.363 1.00 21.51 C ATOM 332 NZ LYS A 19 -1.627 -23.901 -10.459 1.00 60.30 N ATOM 0 H LYS A 19 -0.429 -22.392 -5.814 1.00 71.04 H new ATOM 0 HA LYS A 19 2.364 -21.571 -6.287 1.00 5.40 H new ATOM 0 HB2 LYS A 19 1.421 -20.917 -8.539 1.00 42.34 H new ATOM 0 HB3 LYS A 19 1.403 -22.636 -8.198 1.00 42.34 H new ATOM 0 HG2 LYS A 19 -1.056 -21.110 -7.461 1.00 63.34 H new ATOM 0 HG3 LYS A 19 -0.728 -21.286 -9.173 1.00 63.34 H new ATOM 0 HD2 LYS A 19 -0.724 -23.634 -7.241 1.00 11.13 H new ATOM 0 HD3 LYS A 19 -2.156 -23.119 -8.110 1.00 11.13 H new ATOM 0 HE2 LYS A 19 0.330 -23.553 -9.727 1.00 21.51 H new ATOM 0 HE3 LYS A 19 -0.447 -24.979 -9.070 1.00 21.51 H new ATOM 0 HZ1 LYS A 19 -1.285 -24.460 -11.267 1.00 60.30 H new ATOM 0 HZ2 LYS A 19 -2.526 -24.298 -10.120 1.00 60.30 H new ATOM 0 HZ3 LYS A 19 -1.774 -22.915 -10.757 1.00 60.30 H new ATOM 346 N LEU A 20 1.995 -19.075 -6.294 1.00 2.24 N ATOM 347 CA LEU A 20 1.834 -17.651 -6.019 1.00 20.24 C ATOM 348 C LEU A 20 0.792 -17.032 -6.944 1.00 74.43 C ATOM 349 O LEU A 20 0.560 -17.500 -8.059 1.00 75.51 O ATOM 350 CB LEU A 20 3.171 -16.926 -6.180 1.00 41.13 C ATOM 351 CG LEU A 20 4.378 -17.585 -5.511 1.00 74.22 C ATOM 352 CD1 LEU A 20 5.655 -16.836 -5.857 1.00 62.20 C ATOM 353 CD2 LEU A 20 4.184 -17.645 -4.003 1.00 21.40 C ATOM 0 H LEU A 20 2.924 -19.338 -6.623 1.00 2.24 H new ATOM 0 HA LEU A 20 1.490 -17.542 -4.990 1.00 20.24 H new ATOM 0 HB2 LEU A 20 3.381 -16.826 -7.245 1.00 41.13 H new ATOM 0 HB3 LEU A 20 3.065 -15.918 -5.780 1.00 41.13 H new ATOM 0 HG LEU A 20 4.467 -18.604 -5.887 1.00 74.22 H new ATOM 0 HD11 LEU A 20 6.503 -17.319 -5.372 1.00 62.20 H new ATOM 0 HD12 LEU A 20 5.801 -16.845 -6.937 1.00 62.20 H new ATOM 0 HD13 LEU A 20 5.578 -15.806 -5.510 1.00 62.20 H new ATOM 0 HD21 LEU A 20 5.052 -18.117 -3.543 1.00 21.40 H new ATOM 0 HD22 LEU A 20 4.070 -16.635 -3.610 1.00 21.40 H new ATOM 0 HD23 LEU A 20 3.291 -18.227 -3.774 1.00 21.40 H new ATOM 365 N PRO A 21 0.149 -15.953 -6.474 1.00 73.13 N ATOM 366 CA PRO A 21 -0.878 -15.245 -7.245 1.00 44.01 C ATOM 367 C PRO A 21 -0.293 -14.498 -8.439 1.00 74.13 C ATOM 368 O PRO A 21 0.854 -14.723 -8.825 1.00 70.30 O ATOM 369 CB PRO A 21 -1.464 -14.258 -6.232 1.00 72.43 C ATOM 370 CG PRO A 21 -0.373 -14.039 -5.242 1.00 34.14 C ATOM 371 CD PRO A 21 0.375 -15.341 -5.154 1.00 55.33 C ATOM 0 HA PRO A 21 -1.613 -15.929 -7.669 1.00 44.01 H new ATOM 0 HB2 PRO A 21 -1.756 -13.324 -6.712 1.00 72.43 H new ATOM 0 HB3 PRO A 21 -2.356 -14.663 -5.755 1.00 72.43 H new ATOM 0 HG2 PRO A 21 0.286 -13.231 -5.560 1.00 34.14 H new ATOM 0 HG3 PRO A 21 -0.779 -13.756 -4.271 1.00 34.14 H new ATOM 0 HD2 PRO A 21 1.436 -15.183 -4.961 1.00 55.33 H new ATOM 0 HD3 PRO A 21 -0.006 -15.970 -4.349 1.00 55.33 H new ATOM 379 N LYS A 22 -1.089 -13.608 -9.021 1.00 54.44 N ATOM 380 CA LYS A 22 -0.651 -12.825 -10.171 1.00 73.32 C ATOM 381 C LYS A 22 -0.223 -11.425 -9.745 1.00 4.10 C ATOM 382 O LYS A 22 0.732 -10.866 -10.286 1.00 33.10 O ATOM 383 CB LYS A 22 -1.773 -12.733 -11.209 1.00 23.35 C ATOM 384 CG LYS A 22 -3.120 -12.356 -10.616 1.00 44.14 C ATOM 385 CD LYS A 22 -4.196 -12.277 -11.686 1.00 13.23 C ATOM 386 CE LYS A 22 -4.330 -13.591 -12.440 1.00 42.44 C ATOM 387 NZ LYS A 22 -5.740 -14.067 -12.480 1.00 13.23 N ATOM 0 H LYS A 22 -2.042 -13.410 -8.715 1.00 54.44 H new ATOM 0 HA LYS A 22 0.207 -13.329 -10.616 1.00 73.32 H new ATOM 0 HB2 LYS A 22 -1.499 -11.996 -11.964 1.00 23.35 H new ATOM 0 HB3 LYS A 22 -1.865 -13.692 -11.718 1.00 23.35 H new ATOM 0 HG2 LYS A 22 -3.406 -13.091 -9.864 1.00 44.14 H new ATOM 0 HG3 LYS A 22 -3.039 -11.395 -10.108 1.00 44.14 H new ATOM 0 HD2 LYS A 22 -5.150 -12.022 -11.226 1.00 13.23 H new ATOM 0 HD3 LYS A 22 -3.956 -11.477 -12.387 1.00 13.23 H new ATOM 0 HE2 LYS A 22 -3.960 -13.465 -13.458 1.00 42.44 H new ATOM 0 HE3 LYS A 22 -3.705 -14.347 -11.965 1.00 42.44 H new ATOM 0 HZ1 LYS A 22 -5.789 -14.965 -13.003 1.00 13.23 H new ATOM 0 HZ2 LYS A 22 -6.085 -14.212 -11.510 1.00 13.23 H new ATOM 0 HZ3 LYS A 22 -6.333 -13.357 -12.956 1.00 13.23 H new ATOM 401 N ASP A 23 -0.933 -10.864 -8.772 1.00 65.31 N ATOM 402 CA ASP A 23 -0.624 -9.530 -8.272 1.00 4.15 C ATOM 403 C ASP A 23 0.467 -9.588 -7.206 1.00 60.15 C ATOM 404 O ASP A 23 0.308 -9.050 -6.111 1.00 25.25 O ATOM 405 CB ASP A 23 -1.880 -8.874 -7.697 1.00 52.12 C ATOM 406 CG ASP A 23 -2.751 -8.251 -8.771 1.00 23.40 C ATOM 407 OD1 ASP A 23 -2.758 -8.774 -9.905 1.00 11.01 O ATOM 408 OD2 ASP A 23 -3.424 -7.241 -8.478 1.00 30.13 O ATOM 0 H ASP A 23 -1.726 -11.313 -8.314 1.00 65.31 H new ATOM 0 HA ASP A 23 -0.260 -8.931 -9.107 1.00 4.15 H new ATOM 0 HB2 ASP A 23 -2.458 -9.619 -7.151 1.00 52.12 H new ATOM 0 HB3 ASP A 23 -1.590 -8.107 -6.979 1.00 52.12 H new ATOM 413 N VAL A 24 1.574 -10.246 -7.536 1.00 3.32 N ATOM 414 CA VAL A 24 2.692 -10.375 -6.608 1.00 14.51 C ATOM 415 C VAL A 24 4.026 -10.289 -7.340 1.00 23.33 C ATOM 416 O VAL A 24 4.212 -10.909 -8.387 1.00 43.12 O ATOM 417 CB VAL A 24 2.627 -11.704 -5.833 1.00 63.23 C ATOM 418 CG1 VAL A 24 2.854 -12.880 -6.771 1.00 73.21 C ATOM 419 CG2 VAL A 24 3.644 -11.711 -4.702 1.00 11.34 C ATOM 0 H VAL A 24 1.721 -10.698 -8.439 1.00 3.32 H new ATOM 0 HA VAL A 24 2.615 -9.548 -5.902 1.00 14.51 H new ATOM 0 HB VAL A 24 1.633 -11.803 -5.398 1.00 63.23 H new ATOM 0 HG11 VAL A 24 2.805 -13.811 -6.206 1.00 73.21 H new ATOM 0 HG12 VAL A 24 2.085 -12.883 -7.543 1.00 73.21 H new ATOM 0 HG13 VAL A 24 3.835 -12.790 -7.237 1.00 73.21 H new ATOM 0 HG21 VAL A 24 3.584 -12.658 -4.165 1.00 11.34 H new ATOM 0 HG22 VAL A 24 4.646 -11.590 -5.113 1.00 11.34 H new ATOM 0 HG23 VAL A 24 3.431 -10.891 -4.016 1.00 11.34 H new ATOM 429 N ASP A 25 4.953 -9.518 -6.781 1.00 33.40 N ATOM 430 CA ASP A 25 6.272 -9.353 -7.379 1.00 42.24 C ATOM 431 C ASP A 25 7.287 -10.285 -6.725 1.00 33.23 C ATOM 432 O ASP A 25 7.353 -10.384 -5.499 1.00 42.03 O ATOM 433 CB ASP A 25 6.736 -7.901 -7.249 1.00 24.43 C ATOM 434 CG ASP A 25 7.626 -7.472 -8.399 1.00 73.21 C ATOM 435 OD1 ASP A 25 7.116 -7.360 -9.534 1.00 31.12 O ATOM 436 OD2 ASP A 25 8.831 -7.248 -8.165 1.00 4.44 O ATOM 0 H ASP A 25 4.815 -8.998 -5.915 1.00 33.40 H new ATOM 0 HA ASP A 25 6.199 -9.610 -8.436 1.00 42.24 H new ATOM 0 HB2 ASP A 25 5.865 -7.247 -7.204 1.00 24.43 H new ATOM 0 HB3 ASP A 25 7.276 -7.778 -6.310 1.00 24.43 H new ATOM 441 N ARG A 26 8.074 -10.968 -7.550 1.00 12.14 N ATOM 442 CA ARG A 26 9.083 -11.894 -7.051 1.00 22.11 C ATOM 443 C ARG A 26 10.358 -11.151 -6.661 1.00 71.15 C ATOM 444 O ARG A 26 11.051 -11.536 -5.719 1.00 12.53 O ATOM 445 CB ARG A 26 9.400 -12.954 -8.108 1.00 4.33 C ATOM 446 CG ARG A 26 8.167 -13.521 -8.791 1.00 52.52 C ATOM 447 CD ARG A 26 7.201 -14.127 -7.785 1.00 5.01 C ATOM 448 NE ARG A 26 5.983 -14.617 -8.423 1.00 35.35 N ATOM 449 CZ ARG A 26 5.901 -15.784 -9.053 1.00 10.22 C ATOM 450 NH1 ARG A 26 6.962 -16.576 -9.129 1.00 13.51 N ATOM 451 NH2 ARG A 26 4.756 -16.161 -9.608 1.00 43.42 N ATOM 0 H ARG A 26 8.032 -10.897 -8.567 1.00 12.14 H new ATOM 0 HA ARG A 26 8.683 -12.384 -6.163 1.00 22.11 H new ATOM 0 HB2 ARG A 26 10.055 -12.518 -8.863 1.00 4.33 H new ATOM 0 HB3 ARG A 26 9.952 -13.769 -7.639 1.00 4.33 H new ATOM 0 HG2 ARG A 26 7.664 -12.732 -9.350 1.00 52.52 H new ATOM 0 HG3 ARG A 26 8.467 -14.281 -9.512 1.00 52.52 H new ATOM 0 HD2 ARG A 26 7.691 -14.948 -7.261 1.00 5.01 H new ATOM 0 HD3 ARG A 26 6.942 -13.379 -7.035 1.00 5.01 H new ATOM 0 HE ARG A 26 5.149 -14.031 -8.383 1.00 35.35 H new ATOM 0 HH11 ARG A 26 7.844 -16.290 -8.703 1.00 13.51 H new ATOM 0 HH12 ARG A 26 6.896 -17.471 -9.613 1.00 13.51 H new ATOM 0 HH21 ARG A 26 3.938 -15.555 -9.551 1.00 43.42 H new ATOM 0 HH22 ARG A 26 4.694 -17.057 -10.091 1.00 43.42 H new ATOM 465 N THR A 27 10.662 -10.084 -7.394 1.00 63.32 N ATOM 466 CA THR A 27 11.854 -9.288 -7.127 1.00 73.52 C ATOM 467 C THR A 27 11.814 -8.692 -5.725 1.00 33.10 C ATOM 468 O THR A 27 12.787 -8.777 -4.976 1.00 61.20 O ATOM 469 CB THR A 27 12.010 -8.150 -8.153 1.00 1.12 C ATOM 470 OG1 THR A 27 11.451 -8.544 -9.411 1.00 43.40 O ATOM 471 CG2 THR A 27 13.475 -7.783 -8.335 1.00 62.43 C ATOM 0 H THR A 27 10.099 -9.751 -8.177 1.00 63.32 H new ATOM 0 HA THR A 27 12.708 -9.960 -7.208 1.00 73.52 H new ATOM 0 HB THR A 27 11.477 -7.276 -7.778 1.00 1.12 H new ATOM 0 HG1 THR A 27 10.509 -8.276 -9.449 1.00 43.40 H new ATOM 0 HG21 THR A 27 13.560 -6.977 -9.064 1.00 62.43 H new ATOM 0 HG22 THR A 27 13.889 -7.455 -7.382 1.00 62.43 H new ATOM 0 HG23 THR A 27 14.027 -8.653 -8.690 1.00 62.43 H new ATOM 479 N ARG A 28 10.682 -8.089 -5.375 1.00 61.15 N ATOM 480 CA ARG A 28 10.516 -7.478 -4.062 1.00 50.13 C ATOM 481 C ARG A 28 9.320 -8.079 -3.330 1.00 72.22 C ATOM 482 O ARG A 28 8.271 -7.445 -3.206 1.00 41.04 O ATOM 483 CB ARG A 28 10.336 -5.965 -4.199 1.00 73.05 C ATOM 484 CG ARG A 28 11.629 -5.181 -4.049 1.00 65.55 C ATOM 485 CD ARG A 28 12.671 -5.626 -5.065 1.00 13.42 C ATOM 486 NE ARG A 28 13.368 -4.492 -5.665 1.00 44.32 N ATOM 487 CZ ARG A 28 14.200 -3.702 -4.995 1.00 62.20 C ATOM 488 NH1 ARG A 28 14.437 -3.922 -3.709 1.00 62.42 N ATOM 489 NH2 ARG A 28 14.797 -2.690 -5.611 1.00 65.12 N ATOM 0 H ARG A 28 9.867 -8.011 -5.983 1.00 61.15 H new ATOM 0 HA ARG A 28 11.415 -7.679 -3.479 1.00 50.13 H new ATOM 0 HB2 ARG A 28 9.900 -5.747 -5.174 1.00 73.05 H new ATOM 0 HB3 ARG A 28 9.625 -5.623 -3.447 1.00 73.05 H new ATOM 0 HG2 ARG A 28 11.428 -4.117 -4.175 1.00 65.55 H new ATOM 0 HG3 ARG A 28 12.022 -5.314 -3.041 1.00 65.55 H new ATOM 0 HD2 ARG A 28 13.395 -6.281 -4.579 1.00 13.42 H new ATOM 0 HD3 ARG A 28 12.188 -6.210 -5.848 1.00 13.42 H new ATOM 0 HE ARG A 28 13.207 -4.295 -6.653 1.00 44.32 H new ATOM 0 HH11 ARG A 28 13.980 -4.699 -3.232 1.00 62.42 H new ATOM 0 HH12 ARG A 28 15.076 -3.314 -3.197 1.00 62.42 H new ATOM 0 HH21 ARG A 28 14.617 -2.518 -6.600 1.00 65.12 H new ATOM 0 HH22 ARG A 28 15.435 -2.084 -5.095 1.00 65.12 H new ATOM 503 N LEU A 29 9.484 -9.306 -2.847 1.00 50.23 N ATOM 504 CA LEU A 29 8.418 -9.994 -2.127 1.00 53.35 C ATOM 505 C LEU A 29 8.380 -9.561 -0.665 1.00 44.34 C ATOM 506 O LEU A 29 7.404 -9.811 0.041 1.00 41.44 O ATOM 507 CB LEU A 29 8.610 -11.509 -2.218 1.00 15.41 C ATOM 508 CG LEU A 29 7.378 -12.361 -1.907 1.00 44.35 C ATOM 509 CD1 LEU A 29 6.251 -12.043 -2.877 1.00 51.14 C ATOM 510 CD2 LEU A 29 7.727 -13.841 -1.959 1.00 45.11 C ATOM 0 H LEU A 29 10.345 -9.845 -2.941 1.00 50.23 H new ATOM 0 HA LEU A 29 7.468 -9.726 -2.590 1.00 53.35 H new ATOM 0 HB2 LEU A 29 8.951 -11.752 -3.224 1.00 15.41 H new ATOM 0 HB3 LEU A 29 9.408 -11.796 -1.533 1.00 15.41 H new ATOM 0 HG LEU A 29 7.040 -12.123 -0.899 1.00 44.35 H new ATOM 0 HD11 LEU A 29 5.383 -12.658 -2.641 1.00 51.14 H new ATOM 0 HD12 LEU A 29 5.983 -10.990 -2.791 1.00 51.14 H new ATOM 0 HD13 LEU A 29 6.578 -12.252 -3.896 1.00 51.14 H new ATOM 0 HD21 LEU A 29 6.839 -14.432 -1.735 1.00 45.11 H new ATOM 0 HD22 LEU A 29 8.090 -14.094 -2.955 1.00 45.11 H new ATOM 0 HD23 LEU A 29 8.502 -14.058 -1.224 1.00 45.11 H new ATOM 522 N GLU A 30 9.450 -8.909 -0.219 1.00 55.30 N ATOM 523 CA GLU A 30 9.537 -8.440 1.159 1.00 43.11 C ATOM 524 C GLU A 30 8.400 -7.474 1.478 1.00 2.34 C ATOM 525 O GLU A 30 7.820 -7.518 2.564 1.00 44.14 O ATOM 526 CB GLU A 30 10.885 -7.758 1.404 1.00 12.30 C ATOM 527 CG GLU A 30 10.993 -6.380 0.772 1.00 24.03 C ATOM 528 CD GLU A 30 12.431 -5.932 0.593 1.00 20.11 C ATOM 529 OE1 GLU A 30 13.293 -6.375 1.380 1.00 45.20 O ATOM 530 OE2 GLU A 30 12.693 -5.139 -0.335 1.00 41.41 O ATOM 0 H GLU A 30 10.267 -8.694 -0.791 1.00 55.30 H new ATOM 0 HA GLU A 30 9.450 -9.305 1.817 1.00 43.11 H new ATOM 0 HB2 GLU A 30 11.048 -7.670 2.478 1.00 12.30 H new ATOM 0 HB3 GLU A 30 11.680 -8.392 1.012 1.00 12.30 H new ATOM 0 HG2 GLU A 30 10.496 -6.389 -0.198 1.00 24.03 H new ATOM 0 HG3 GLU A 30 10.466 -5.657 1.394 1.00 24.03 H new ATOM 537 N ARG A 31 8.087 -6.602 0.526 1.00 44.53 N ATOM 538 CA ARG A 31 7.021 -5.623 0.705 1.00 25.25 C ATOM 539 C ARG A 31 5.656 -6.305 0.727 1.00 3.51 C ATOM 540 O ARG A 31 4.649 -5.688 1.076 1.00 33.51 O ATOM 541 CB ARG A 31 7.065 -4.579 -0.412 1.00 33.22 C ATOM 542 CG ARG A 31 8.350 -3.769 -0.439 1.00 2.33 C ATOM 543 CD ARG A 31 8.158 -2.398 0.192 1.00 61.40 C ATOM 544 NE ARG A 31 9.426 -1.805 0.608 1.00 51.42 N ATOM 545 CZ ARG A 31 10.282 -1.236 -0.234 1.00 10.43 C ATOM 546 NH1 ARG A 31 10.007 -1.183 -1.530 1.00 21.33 N ATOM 547 NH2 ARG A 31 11.416 -0.717 0.221 1.00 74.00 N ATOM 0 H ARG A 31 8.557 -6.553 -0.378 1.00 44.53 H new ATOM 0 HA ARG A 31 7.175 -5.126 1.663 1.00 25.25 H new ATOM 0 HB2 ARG A 31 6.942 -5.081 -1.372 1.00 33.22 H new ATOM 0 HB3 ARG A 31 6.220 -3.900 -0.297 1.00 33.22 H new ATOM 0 HG2 ARG A 31 9.133 -4.309 0.093 1.00 2.33 H new ATOM 0 HG3 ARG A 31 8.686 -3.653 -1.469 1.00 2.33 H new ATOM 0 HD2 ARG A 31 7.665 -1.737 -0.521 1.00 61.40 H new ATOM 0 HD3 ARG A 31 7.498 -2.485 1.055 1.00 61.40 H new ATOM 0 HE ARG A 31 9.668 -1.829 1.599 1.00 51.42 H new ATOM 0 HH11 ARG A 31 9.136 -1.580 -1.883 1.00 21.33 H new ATOM 0 HH12 ARG A 31 10.666 -0.745 -2.174 1.00 21.33 H new ATOM 0 HH21 ARG A 31 11.631 -0.755 1.217 1.00 74.00 H new ATOM 0 HH22 ARG A 31 12.073 -0.280 -0.426 1.00 74.00 H new ATOM 561 N HIS A 32 5.631 -7.579 0.351 1.00 32.33 N ATOM 562 CA HIS A 32 4.389 -8.345 0.328 1.00 43.34 C ATOM 563 C HIS A 32 4.220 -9.146 1.615 1.00 1.41 C ATOM 564 O HIS A 32 3.194 -9.795 1.825 1.00 45.25 O ATOM 565 CB HIS A 32 4.368 -9.285 -0.878 1.00 51.31 C ATOM 566 CG HIS A 32 3.896 -8.630 -2.140 1.00 4.21 C ATOM 567 ND1 HIS A 32 2.568 -8.372 -2.403 1.00 14.54 N ATOM 568 CD2 HIS A 32 4.585 -8.178 -3.214 1.00 24.41 C ATOM 569 CE1 HIS A 32 2.460 -7.791 -3.584 1.00 75.25 C ATOM 570 NE2 HIS A 32 3.670 -7.662 -4.098 1.00 32.15 N ATOM 0 H HIS A 32 6.456 -8.103 0.058 1.00 32.33 H new ATOM 0 HA HIS A 32 3.559 -7.643 0.247 1.00 43.34 H new ATOM 0 HB2 HIS A 32 5.371 -9.681 -1.037 1.00 51.31 H new ATOM 0 HB3 HIS A 32 3.722 -10.134 -0.655 1.00 51.31 H new ATOM 0 HD1 HIS A 32 1.790 -8.595 -1.782 1.00 14.54 H new ATOM 0 HD2 HIS A 32 5.656 -8.216 -3.350 1.00 24.41 H new ATOM 0 HE1 HIS A 32 1.539 -7.475 -4.050 1.00 75.25 H new ATOM 578 N LEU A 33 5.232 -9.096 2.474 1.00 22.10 N ATOM 579 CA LEU A 33 5.196 -9.818 3.741 1.00 1.34 C ATOM 580 C LEU A 33 5.184 -8.849 4.919 1.00 12.25 C ATOM 581 O LEU A 33 6.019 -7.949 5.005 1.00 41.24 O ATOM 582 CB LEU A 33 6.399 -10.756 3.851 1.00 60.31 C ATOM 583 CG LEU A 33 6.147 -12.092 4.551 1.00 74.00 C ATOM 584 CD1 LEU A 33 5.495 -13.080 3.596 1.00 24.51 C ATOM 585 CD2 LEU A 33 7.446 -12.659 5.103 1.00 3.45 C ATOM 0 H LEU A 33 6.087 -8.563 2.316 1.00 22.10 H new ATOM 0 HA LEU A 33 4.280 -10.408 3.769 1.00 1.34 H new ATOM 0 HB2 LEU A 33 6.769 -10.959 2.846 1.00 60.31 H new ATOM 0 HB3 LEU A 33 7.194 -10.234 4.384 1.00 60.31 H new ATOM 0 HG LEU A 33 5.466 -11.920 5.385 1.00 74.00 H new ATOM 0 HD11 LEU A 33 5.323 -14.025 4.111 1.00 24.51 H new ATOM 0 HD12 LEU A 33 4.543 -12.677 3.250 1.00 24.51 H new ATOM 0 HD13 LEU A 33 6.151 -13.247 2.741 1.00 24.51 H new ATOM 0 HD21 LEU A 33 7.247 -13.610 5.598 1.00 3.45 H new ATOM 0 HD22 LEU A 33 8.151 -12.815 4.286 1.00 3.45 H new ATOM 0 HD23 LEU A 33 7.872 -11.959 5.821 1.00 3.45 H new ATOM 597 N SER A 34 4.232 -9.041 5.827 1.00 30.01 N ATOM 598 CA SER A 34 4.110 -8.183 7.000 1.00 32.31 C ATOM 599 C SER A 34 5.451 -8.044 7.713 1.00 4.40 C ATOM 600 O SER A 34 6.379 -8.826 7.504 1.00 33.25 O ATOM 601 CB SER A 34 3.064 -8.747 7.964 1.00 54.04 C ATOM 602 OG SER A 34 3.678 -9.465 9.020 1.00 15.30 O ATOM 0 H SER A 34 3.534 -9.783 5.773 1.00 30.01 H new ATOM 0 HA SER A 34 3.791 -7.196 6.666 1.00 32.31 H new ATOM 0 HB2 SER A 34 2.466 -7.933 8.373 1.00 54.04 H new ATOM 0 HB3 SER A 34 2.382 -9.403 7.423 1.00 54.04 H new ATOM 0 HG SER A 34 2.988 -9.814 9.623 1.00 15.30 H new ATOM 608 N PRO A 35 5.558 -7.022 8.576 1.00 64.23 N ATOM 609 CA PRO A 35 6.782 -6.755 9.338 1.00 14.21 C ATOM 610 C PRO A 35 7.042 -7.812 10.406 1.00 50.12 C ATOM 611 O PRO A 35 8.171 -8.270 10.575 1.00 22.30 O ATOM 612 CB PRO A 35 6.505 -5.396 9.987 1.00 22.20 C ATOM 613 CG PRO A 35 5.020 -5.313 10.074 1.00 43.11 C ATOM 614 CD PRO A 35 4.493 -6.050 8.874 1.00 43.12 C ATOM 0 HA PRO A 35 7.668 -6.768 8.704 1.00 14.21 H new ATOM 0 HB2 PRO A 35 6.964 -5.328 10.973 1.00 22.20 H new ATOM 0 HB3 PRO A 35 6.913 -4.581 9.389 1.00 22.20 H new ATOM 0 HG2 PRO A 35 4.658 -5.763 10.998 1.00 43.11 H new ATOM 0 HG3 PRO A 35 4.686 -4.275 10.072 1.00 43.11 H new ATOM 0 HD2 PRO A 35 3.546 -6.545 9.090 1.00 43.12 H new ATOM 0 HD3 PRO A 35 4.317 -5.377 8.035 1.00 43.12 H new ATOM 622 N GLU A 36 5.990 -8.194 11.123 1.00 73.44 N ATOM 623 CA GLU A 36 6.107 -9.198 12.174 1.00 15.11 C ATOM 624 C GLU A 36 6.497 -10.553 11.592 1.00 73.33 C ATOM 625 O GLU A 36 7.231 -11.319 12.215 1.00 61.24 O ATOM 626 CB GLU A 36 4.788 -9.320 12.941 1.00 24.54 C ATOM 627 CG GLU A 36 4.627 -8.286 14.042 1.00 34.05 C ATOM 628 CD GLU A 36 3.430 -8.563 14.932 1.00 51.13 C ATOM 629 OE1 GLU A 36 2.365 -8.931 14.394 1.00 74.31 O ATOM 630 OE2 GLU A 36 3.558 -8.411 16.164 1.00 23.14 O ATOM 0 H GLU A 36 5.048 -7.824 10.996 1.00 73.44 H new ATOM 0 HA GLU A 36 6.891 -8.879 12.861 1.00 15.11 H new ATOM 0 HB2 GLU A 36 3.959 -9.224 12.240 1.00 24.54 H new ATOM 0 HB3 GLU A 36 4.722 -10.317 13.377 1.00 24.54 H new ATOM 0 HG2 GLU A 36 5.531 -8.265 14.651 1.00 34.05 H new ATOM 0 HG3 GLU A 36 4.521 -7.298 13.595 1.00 34.05 H new ATOM 637 N GLU A 37 5.999 -10.841 10.393 1.00 33.52 N ATOM 638 CA GLU A 37 6.294 -12.105 9.728 1.00 41.24 C ATOM 639 C GLU A 37 7.727 -12.121 9.202 1.00 54.10 C ATOM 640 O GLU A 37 8.420 -13.135 9.288 1.00 0.52 O ATOM 641 CB GLU A 37 5.314 -12.342 8.577 1.00 42.34 C ATOM 642 CG GLU A 37 4.231 -13.358 8.899 1.00 43.25 C ATOM 643 CD GLU A 37 4.761 -14.778 8.952 1.00 52.32 C ATOM 644 OE1 GLU A 37 5.852 -14.982 9.524 1.00 60.10 O ATOM 645 OE2 GLU A 37 4.085 -15.684 8.422 1.00 51.13 O ATOM 0 H GLU A 37 5.390 -10.217 9.863 1.00 33.52 H new ATOM 0 HA GLU A 37 6.184 -12.906 10.460 1.00 41.24 H new ATOM 0 HB2 GLU A 37 4.844 -11.395 8.310 1.00 42.34 H new ATOM 0 HB3 GLU A 37 5.869 -12.680 7.702 1.00 42.34 H new ATOM 0 HG2 GLU A 37 3.777 -13.108 9.858 1.00 43.25 H new ATOM 0 HG3 GLU A 37 3.444 -13.296 8.147 1.00 43.25 H new ATOM 652 N PHE A 38 8.163 -10.990 8.657 1.00 62.44 N ATOM 653 CA PHE A 38 9.512 -10.874 8.115 1.00 1.11 C ATOM 654 C PHE A 38 10.557 -11.081 9.208 1.00 33.10 C ATOM 655 O PHE A 38 11.553 -11.775 9.005 1.00 53.45 O ATOM 656 CB PHE A 38 9.706 -9.504 7.462 1.00 12.21 C ATOM 657 CG PHE A 38 10.495 -9.554 6.185 1.00 25.44 C ATOM 658 CD1 PHE A 38 9.968 -10.153 5.053 1.00 61.05 C ATOM 659 CD2 PHE A 38 11.765 -9.003 6.118 1.00 32.11 C ATOM 660 CE1 PHE A 38 10.693 -10.202 3.877 1.00 41.32 C ATOM 661 CE2 PHE A 38 12.494 -9.048 4.945 1.00 64.31 C ATOM 662 CZ PHE A 38 11.957 -9.648 3.823 1.00 42.44 C ATOM 0 H PHE A 38 7.602 -10.141 8.579 1.00 62.44 H new ATOM 0 HA PHE A 38 9.642 -11.650 7.361 1.00 1.11 H new ATOM 0 HB2 PHE A 38 8.729 -9.066 7.259 1.00 12.21 H new ATOM 0 HB3 PHE A 38 10.212 -8.843 8.166 1.00 12.21 H new ATOM 0 HD1 PHE A 38 8.980 -10.587 5.089 1.00 61.05 H new ATOM 0 HD2 PHE A 38 12.190 -8.533 6.993 1.00 32.11 H new ATOM 0 HE1 PHE A 38 10.271 -10.673 3.001 1.00 41.32 H new ATOM 0 HE2 PHE A 38 13.482 -8.615 4.906 1.00 64.31 H new ATOM 0 HZ PHE A 38 12.525 -9.684 2.905 1.00 42.44 H new ATOM 672 N GLN A 39 10.321 -10.474 10.367 1.00 74.05 N ATOM 673 CA GLN A 39 11.241 -10.591 11.491 1.00 4.21 C ATOM 674 C GLN A 39 11.078 -11.936 12.191 1.00 63.12 C ATOM 675 O GLN A 39 11.996 -12.415 12.856 1.00 62.24 O ATOM 676 CB GLN A 39 11.010 -9.453 12.487 1.00 21.22 C ATOM 677 CG GLN A 39 9.634 -9.480 13.132 1.00 53.51 C ATOM 678 CD GLN A 39 9.560 -10.428 14.312 1.00 21.21 C ATOM 679 OE1 GLN A 39 10.582 -10.792 14.896 1.00 54.14 O ATOM 680 NE2 GLN A 39 8.348 -10.835 14.671 1.00 52.44 N ATOM 0 H GLN A 39 9.501 -9.897 10.551 1.00 74.05 H new ATOM 0 HA GLN A 39 12.258 -10.525 11.104 1.00 4.21 H new ATOM 0 HB2 GLN A 39 11.769 -9.505 13.267 1.00 21.22 H new ATOM 0 HB3 GLN A 39 11.144 -8.500 11.975 1.00 21.22 H new ATOM 0 HG2 GLN A 39 9.372 -8.475 13.462 1.00 53.51 H new ATOM 0 HG3 GLN A 39 8.894 -9.774 12.388 1.00 53.51 H new ATOM 0 HE21 GLN A 39 7.528 -10.509 14.159 1.00 52.44 H new ATOM 0 HE22 GLN A 39 8.237 -11.474 15.458 1.00 52.44 H new ATOM 689 N GLU A 40 9.904 -12.540 12.036 1.00 11.41 N ATOM 690 CA GLU A 40 9.621 -13.829 12.655 1.00 63.42 C ATOM 691 C GLU A 40 10.149 -14.973 11.794 1.00 65.23 C ATOM 692 O GLU A 40 10.556 -16.015 12.307 1.00 21.55 O ATOM 693 CB GLU A 40 8.116 -13.995 12.875 1.00 23.54 C ATOM 694 CG GLU A 40 7.739 -15.312 13.533 1.00 22.21 C ATOM 695 CD GLU A 40 8.201 -15.397 14.975 1.00 34.40 C ATOM 696 OE1 GLU A 40 7.449 -14.951 15.866 1.00 10.25 O ATOM 697 OE2 GLU A 40 9.314 -15.911 15.212 1.00 61.25 O ATOM 0 H GLU A 40 9.134 -12.157 11.487 1.00 11.41 H new ATOM 0 HA GLU A 40 10.127 -13.859 13.620 1.00 63.42 H new ATOM 0 HB2 GLU A 40 7.755 -13.173 13.493 1.00 23.54 H new ATOM 0 HB3 GLU A 40 7.606 -13.919 11.914 1.00 23.54 H new ATOM 0 HG2 GLU A 40 6.657 -15.437 13.494 1.00 22.21 H new ATOM 0 HG3 GLU A 40 8.175 -16.135 12.967 1.00 22.21 H new ATOM 704 N VAL A 41 10.139 -14.771 10.480 1.00 45.40 N ATOM 705 CA VAL A 41 10.618 -15.784 9.547 1.00 55.54 C ATOM 706 C VAL A 41 12.125 -15.676 9.344 1.00 73.33 C ATOM 707 O VAL A 41 12.781 -16.646 8.963 1.00 42.33 O ATOM 708 CB VAL A 41 9.917 -15.663 8.180 1.00 12.02 C ATOM 709 CG1 VAL A 41 8.413 -15.830 8.335 1.00 71.44 C ATOM 710 CG2 VAL A 41 10.249 -14.330 7.527 1.00 11.34 C ATOM 0 H VAL A 41 9.804 -13.915 10.038 1.00 45.40 H new ATOM 0 HA VAL A 41 10.382 -16.754 9.984 1.00 55.54 H new ATOM 0 HB VAL A 41 10.282 -16.460 7.532 1.00 12.02 H new ATOM 0 HG11 VAL A 41 7.935 -15.742 7.360 1.00 71.44 H new ATOM 0 HG12 VAL A 41 8.198 -16.812 8.757 1.00 71.44 H new ATOM 0 HG13 VAL A 41 8.028 -15.057 9.000 1.00 71.44 H new ATOM 0 HG21 VAL A 41 9.746 -14.262 6.563 1.00 11.34 H new ATOM 0 HG22 VAL A 41 9.913 -13.516 8.170 1.00 11.34 H new ATOM 0 HG23 VAL A 41 11.326 -14.255 7.380 1.00 11.34 H new ATOM 720 N PHE A 42 12.668 -14.491 9.601 1.00 30.22 N ATOM 721 CA PHE A 42 14.099 -14.256 9.446 1.00 31.35 C ATOM 722 C PHE A 42 14.845 -14.573 10.739 1.00 30.52 C ATOM 723 O PHE A 42 15.878 -15.241 10.725 1.00 60.33 O ATOM 724 CB PHE A 42 14.358 -12.805 9.038 1.00 53.30 C ATOM 725 CG PHE A 42 14.198 -12.559 7.565 1.00 41.12 C ATOM 726 CD1 PHE A 42 13.269 -13.273 6.826 1.00 33.55 C ATOM 727 CD2 PHE A 42 14.978 -11.614 6.918 1.00 1.43 C ATOM 728 CE1 PHE A 42 13.119 -13.050 5.471 1.00 40.43 C ATOM 729 CE2 PHE A 42 14.833 -11.385 5.563 1.00 33.11 C ATOM 730 CZ PHE A 42 13.903 -12.105 4.838 1.00 11.21 C ATOM 0 H PHE A 42 12.139 -13.678 9.918 1.00 30.22 H new ATOM 0 HA PHE A 42 14.468 -14.918 8.662 1.00 31.35 H new ATOM 0 HB2 PHE A 42 13.674 -12.155 9.583 1.00 53.30 H new ATOM 0 HB3 PHE A 42 15.369 -12.527 9.337 1.00 53.30 H new ATOM 0 HD1 PHE A 42 12.654 -14.014 7.316 1.00 33.55 H new ATOM 0 HD2 PHE A 42 15.708 -11.050 7.479 1.00 1.43 H new ATOM 0 HE1 PHE A 42 12.390 -13.613 4.907 1.00 40.43 H new ATOM 0 HE2 PHE A 42 15.446 -10.644 5.071 1.00 33.11 H new ATOM 0 HZ PHE A 42 13.789 -11.929 3.778 1.00 11.21 H new ATOM 740 N GLY A 43 14.313 -14.088 11.857 1.00 30.10 N ATOM 741 CA GLY A 43 14.941 -14.329 13.143 1.00 41.01 C ATOM 742 C GLY A 43 15.289 -13.044 13.868 1.00 61.11 C ATOM 743 O GLY A 43 15.117 -12.943 15.082 1.00 14.32 O ATOM 0 H GLY A 43 13.458 -13.533 11.895 1.00 30.10 H new ATOM 0 HA2 GLY A 43 14.272 -14.924 13.765 1.00 41.01 H new ATOM 0 HA3 GLY A 43 15.847 -14.917 12.997 1.00 41.01 H new ATOM 747 N MET A 44 15.782 -12.061 13.122 1.00 1.33 N ATOM 748 CA MET A 44 16.156 -10.776 13.702 1.00 11.04 C ATOM 749 C MET A 44 14.931 -9.886 13.888 1.00 32.32 C ATOM 750 O MET A 44 13.797 -10.331 13.711 1.00 13.13 O ATOM 751 CB MET A 44 17.183 -10.071 12.815 1.00 51.35 C ATOM 752 CG MET A 44 16.800 -10.046 11.344 1.00 55.42 C ATOM 753 SD MET A 44 17.640 -11.320 10.385 1.00 23.40 S ATOM 754 CE MET A 44 18.467 -10.323 9.148 1.00 72.43 C ATOM 0 H MET A 44 15.932 -12.129 12.115 1.00 1.33 H new ATOM 0 HA MET A 44 16.599 -10.963 14.680 1.00 11.04 H new ATOM 0 HB2 MET A 44 17.312 -9.047 13.166 1.00 51.35 H new ATOM 0 HB3 MET A 44 18.147 -10.569 12.923 1.00 51.35 H new ATOM 0 HG2 MET A 44 15.722 -10.179 11.251 1.00 55.42 H new ATOM 0 HG3 MET A 44 17.038 -9.067 10.927 1.00 55.42 H new ATOM 0 HE1 MET A 44 19.466 -10.720 8.969 1.00 72.43 H new ATOM 0 HE2 MET A 44 17.895 -10.347 8.220 1.00 72.43 H new ATOM 0 HE3 MET A 44 18.543 -9.295 9.501 1.00 72.43 H new ATOM 764 N SER A 45 15.167 -8.628 14.246 1.00 63.21 N ATOM 765 CA SER A 45 14.083 -7.677 14.460 1.00 75.54 C ATOM 766 C SER A 45 13.783 -6.899 13.182 1.00 35.40 C ATOM 767 O SER A 45 14.671 -6.663 12.363 1.00 4.13 O ATOM 768 CB SER A 45 14.440 -6.708 15.588 1.00 22.53 C ATOM 769 OG SER A 45 14.702 -5.411 15.083 1.00 44.05 O ATOM 0 H SER A 45 16.100 -8.244 14.394 1.00 63.21 H new ATOM 0 HA SER A 45 13.192 -8.238 14.742 1.00 75.54 H new ATOM 0 HB2 SER A 45 13.621 -6.663 16.306 1.00 22.53 H new ATOM 0 HB3 SER A 45 15.314 -7.076 16.125 1.00 22.53 H new ATOM 0 HG SER A 45 14.926 -4.810 15.824 1.00 44.05 H new ATOM 775 N ILE A 46 12.524 -6.504 13.019 1.00 24.51 N ATOM 776 CA ILE A 46 12.107 -5.752 11.842 1.00 34.45 C ATOM 777 C ILE A 46 12.957 -4.499 11.661 1.00 75.44 C ATOM 778 O ILE A 46 13.186 -4.051 10.538 1.00 72.21 O ATOM 779 CB ILE A 46 10.624 -5.345 11.932 1.00 41.11 C ATOM 780 CG1 ILE A 46 10.064 -5.068 10.535 1.00 14.03 C ATOM 781 CG2 ILE A 46 10.463 -4.124 12.825 1.00 43.32 C ATOM 782 CD1 ILE A 46 10.213 -3.627 10.099 1.00 22.30 C ATOM 0 H ILE A 46 11.776 -6.692 13.687 1.00 24.51 H new ATOM 0 HA ILE A 46 12.244 -6.408 10.982 1.00 34.45 H new ATOM 0 HB ILE A 46 10.062 -6.169 12.372 1.00 41.11 H new ATOM 0 HG12 ILE A 46 10.570 -5.711 9.815 1.00 14.03 H new ATOM 0 HG13 ILE A 46 9.008 -5.338 10.516 1.00 14.03 H new ATOM 0 HG21 ILE A 46 9.410 -3.849 12.879 1.00 43.32 H new ATOM 0 HG22 ILE A 46 10.829 -4.354 13.826 1.00 43.32 H new ATOM 0 HG23 ILE A 46 11.035 -3.293 12.412 1.00 43.32 H new ATOM 0 HD11 ILE A 46 9.795 -3.504 9.100 1.00 22.30 H new ATOM 0 HD12 ILE A 46 9.683 -2.979 10.797 1.00 22.30 H new ATOM 0 HD13 ILE A 46 11.269 -3.358 10.086 1.00 22.30 H new ATOM 794 N GLU A 47 13.422 -3.940 12.773 1.00 23.21 N ATOM 795 CA GLU A 47 14.248 -2.739 12.736 1.00 62.15 C ATOM 796 C GLU A 47 15.568 -3.009 12.019 1.00 41.44 C ATOM 797 O GLU A 47 16.069 -2.161 11.281 1.00 41.13 O ATOM 798 CB GLU A 47 14.520 -2.235 14.155 1.00 74.34 C ATOM 799 CG GLU A 47 13.286 -2.219 15.041 1.00 14.20 C ATOM 800 CD GLU A 47 13.432 -1.285 16.227 1.00 74.02 C ATOM 801 OE1 GLU A 47 14.538 -1.228 16.803 1.00 1.14 O ATOM 802 OE2 GLU A 47 12.440 -0.612 16.578 1.00 24.04 O ATOM 0 H GLU A 47 13.241 -4.299 13.710 1.00 23.21 H new ATOM 0 HA GLU A 47 13.704 -1.972 12.184 1.00 62.15 H new ATOM 0 HB2 GLU A 47 15.280 -2.866 14.616 1.00 74.34 H new ATOM 0 HB3 GLU A 47 14.932 -1.227 14.101 1.00 74.34 H new ATOM 0 HG2 GLU A 47 12.422 -1.916 14.449 1.00 14.20 H new ATOM 0 HG3 GLU A 47 13.088 -3.229 15.401 1.00 14.20 H new ATOM 809 N GLU A 48 16.125 -4.195 12.243 1.00 41.33 N ATOM 810 CA GLU A 48 17.387 -4.575 11.619 1.00 23.13 C ATOM 811 C GLU A 48 17.291 -4.489 10.099 1.00 73.42 C ATOM 812 O GLU A 48 18.206 -4.004 9.434 1.00 61.13 O ATOM 813 CB GLU A 48 17.781 -5.993 12.037 1.00 31.42 C ATOM 814 CG GLU A 48 19.274 -6.261 11.952 1.00 42.23 C ATOM 815 CD GLU A 48 20.026 -5.768 13.173 1.00 31.31 C ATOM 816 OE1 GLU A 48 19.510 -5.943 14.297 1.00 71.50 O ATOM 817 OE2 GLU A 48 21.129 -5.208 13.006 1.00 41.14 O ATOM 0 H GLU A 48 15.723 -4.908 12.851 1.00 41.33 H new ATOM 0 HA GLU A 48 18.154 -3.878 11.957 1.00 23.13 H new ATOM 0 HB2 GLU A 48 17.447 -6.167 13.060 1.00 31.42 H new ATOM 0 HB3 GLU A 48 17.256 -6.708 11.404 1.00 31.42 H new ATOM 0 HG2 GLU A 48 19.441 -7.332 11.835 1.00 42.23 H new ATOM 0 HG3 GLU A 48 19.676 -5.777 11.062 1.00 42.23 H new ATOM 824 N PHE A 49 16.175 -4.965 9.555 1.00 42.10 N ATOM 825 CA PHE A 49 15.959 -4.944 8.113 1.00 35.10 C ATOM 826 C PHE A 49 16.054 -3.522 7.569 1.00 12.53 C ATOM 827 O PHE A 49 16.838 -3.244 6.662 1.00 4.52 O ATOM 828 CB PHE A 49 14.592 -5.542 7.773 1.00 53.33 C ATOM 829 CG PHE A 49 14.364 -6.898 8.375 1.00 32.45 C ATOM 830 CD1 PHE A 49 15.379 -7.841 8.396 1.00 30.32 C ATOM 831 CD2 PHE A 49 13.135 -7.231 8.922 1.00 53.21 C ATOM 832 CE1 PHE A 49 15.172 -9.091 8.950 1.00 55.44 C ATOM 833 CE2 PHE A 49 12.921 -8.479 9.477 1.00 5.51 C ATOM 834 CZ PHE A 49 13.942 -9.409 9.492 1.00 73.22 C ATOM 0 H PHE A 49 15.407 -5.370 10.091 1.00 42.10 H new ATOM 0 HA PHE A 49 16.738 -5.545 7.645 1.00 35.10 H new ATOM 0 HB2 PHE A 49 13.812 -4.864 8.119 1.00 53.33 H new ATOM 0 HB3 PHE A 49 14.495 -5.613 6.690 1.00 53.33 H new ATOM 0 HD1 PHE A 49 16.343 -7.597 7.975 1.00 30.32 H new ATOM 0 HD2 PHE A 49 12.334 -6.506 8.915 1.00 53.21 H new ATOM 0 HE1 PHE A 49 15.971 -9.818 8.959 1.00 55.44 H new ATOM 0 HE2 PHE A 49 11.958 -8.726 9.898 1.00 5.51 H new ATOM 0 HZ PHE A 49 13.779 -10.384 9.927 1.00 73.22 H new ATOM 844 N ASP A 50 15.249 -2.625 8.130 1.00 62.43 N ATOM 845 CA ASP A 50 15.242 -1.231 7.702 1.00 21.14 C ATOM 846 C ASP A 50 16.638 -0.624 7.805 1.00 71.21 C ATOM 847 O ASP A 50 17.041 0.176 6.961 1.00 51.22 O ATOM 848 CB ASP A 50 14.257 -0.422 8.547 1.00 2.53 C ATOM 849 CG ASP A 50 14.292 1.058 8.218 1.00 20.03 C ATOM 850 OD1 ASP A 50 14.519 1.399 7.038 1.00 21.43 O ATOM 851 OD2 ASP A 50 14.091 1.875 9.141 1.00 44.33 O ATOM 0 H ASP A 50 14.593 -2.839 8.882 1.00 62.43 H new ATOM 0 HA ASP A 50 14.927 -1.198 6.659 1.00 21.14 H new ATOM 0 HB2 ASP A 50 13.248 -0.803 8.388 1.00 2.53 H new ATOM 0 HB3 ASP A 50 14.488 -0.562 9.603 1.00 2.53 H new ATOM 856 N ARG A 51 17.370 -1.010 8.845 1.00 44.14 N ATOM 857 CA ARG A 51 18.720 -0.502 9.059 1.00 61.04 C ATOM 858 C ARG A 51 19.702 -1.138 8.079 1.00 50.33 C ATOM 859 O ARG A 51 20.735 -0.552 7.750 1.00 32.33 O ATOM 860 CB ARG A 51 19.169 -0.775 10.496 1.00 54.44 C ATOM 861 CG ARG A 51 18.874 0.369 11.453 1.00 62.32 C ATOM 862 CD ARG A 51 17.583 0.133 12.222 1.00 45.34 C ATOM 863 NE ARG A 51 17.458 1.029 13.368 1.00 0.20 N ATOM 864 CZ ARG A 51 18.065 0.823 14.532 1.00 54.13 C ATOM 865 NH1 ARG A 51 18.835 -0.242 14.702 1.00 61.42 N ATOM 866 NH2 ARG A 51 17.901 1.684 15.528 1.00 5.10 N ATOM 0 H ARG A 51 17.051 -1.672 9.552 1.00 44.14 H new ATOM 0 HA ARG A 51 18.707 0.574 8.888 1.00 61.04 H new ATOM 0 HB2 ARG A 51 18.675 -1.677 10.857 1.00 54.44 H new ATOM 0 HB3 ARG A 51 20.240 -0.975 10.501 1.00 54.44 H new ATOM 0 HG2 ARG A 51 19.701 0.481 12.154 1.00 62.32 H new ATOM 0 HG3 ARG A 51 18.801 1.302 10.895 1.00 62.32 H new ATOM 0 HD2 ARG A 51 16.733 0.276 11.555 1.00 45.34 H new ATOM 0 HD3 ARG A 51 17.549 -0.901 12.565 1.00 45.34 H new ATOM 0 HE ARG A 51 16.873 1.859 13.270 1.00 0.20 H new ATOM 0 HH11 ARG A 51 18.963 -0.906 13.938 1.00 61.42 H new ATOM 0 HH12 ARG A 51 19.300 -0.398 15.596 1.00 61.42 H new ATOM 0 HH21 ARG A 51 17.309 2.505 15.400 1.00 5.10 H new ATOM 0 HH22 ARG A 51 18.367 1.525 16.421 1.00 5.10 H new ATOM 880 N LEU A 52 19.373 -2.339 7.616 1.00 44.44 N ATOM 881 CA LEU A 52 20.226 -3.055 6.673 1.00 2.22 C ATOM 882 C LEU A 52 20.047 -2.515 5.258 1.00 60.11 C ATOM 883 O LEU A 52 19.183 -1.676 5.008 1.00 54.41 O ATOM 884 CB LEU A 52 19.910 -4.551 6.704 1.00 30.14 C ATOM 885 CG LEU A 52 20.481 -5.333 7.888 1.00 34.21 C ATOM 886 CD1 LEU A 52 19.838 -6.708 7.979 1.00 73.40 C ATOM 887 CD2 LEU A 52 21.993 -5.456 7.767 1.00 75.21 C ATOM 0 H LEU A 52 18.522 -2.837 7.878 1.00 44.44 H new ATOM 0 HA LEU A 52 21.263 -2.903 6.971 1.00 2.22 H new ATOM 0 HB2 LEU A 52 18.827 -4.673 6.702 1.00 30.14 H new ATOM 0 HB3 LEU A 52 20.283 -5.000 5.784 1.00 30.14 H new ATOM 0 HG LEU A 52 20.253 -4.787 8.803 1.00 34.21 H new ATOM 0 HD11 LEU A 52 20.257 -7.250 8.827 1.00 73.40 H new ATOM 0 HD12 LEU A 52 18.762 -6.598 8.114 1.00 73.40 H new ATOM 0 HD13 LEU A 52 20.034 -7.263 7.061 1.00 73.40 H new ATOM 0 HD21 LEU A 52 22.382 -6.015 8.618 1.00 75.21 H new ATOM 0 HD22 LEU A 52 22.243 -5.979 6.844 1.00 75.21 H new ATOM 0 HD23 LEU A 52 22.439 -4.461 7.752 1.00 75.21 H new ATOM 899 N ALA A 53 20.869 -3.005 4.335 1.00 14.50 N ATOM 900 CA ALA A 53 20.798 -2.575 2.944 1.00 1.41 C ATOM 901 C ALA A 53 19.983 -3.554 2.107 1.00 35.43 C ATOM 902 O ALA A 53 19.590 -4.619 2.586 1.00 25.43 O ATOM 903 CB ALA A 53 22.198 -2.422 2.367 1.00 33.41 C ATOM 0 H ALA A 53 21.591 -3.700 4.526 1.00 14.50 H new ATOM 0 HA ALA A 53 20.296 -1.608 2.914 1.00 1.41 H new ATOM 0 HB1 ALA A 53 22.130 -2.100 1.328 1.00 33.41 H new ATOM 0 HB2 ALA A 53 22.749 -1.678 2.942 1.00 33.41 H new ATOM 0 HB3 ALA A 53 22.719 -3.378 2.418 1.00 33.41 H new ATOM 909 N LEU A 54 19.730 -3.188 0.856 1.00 74.33 N ATOM 910 CA LEU A 54 18.959 -4.035 -0.048 1.00 64.45 C ATOM 911 C LEU A 54 19.634 -5.391 -0.231 1.00 72.24 C ATOM 912 O LEU A 54 19.028 -6.435 0.012 1.00 11.43 O ATOM 913 CB LEU A 54 18.793 -3.348 -1.405 1.00 63.41 C ATOM 914 CG LEU A 54 17.474 -3.609 -2.132 1.00 55.31 C ATOM 915 CD1 LEU A 54 17.673 -3.550 -3.639 1.00 3.54 C ATOM 916 CD2 LEU A 54 16.895 -4.955 -1.721 1.00 51.15 C ATOM 0 H LEU A 54 20.047 -2.311 0.444 1.00 74.33 H new ATOM 0 HA LEU A 54 17.976 -4.196 0.394 1.00 64.45 H new ATOM 0 HB2 LEU A 54 18.899 -2.273 -1.261 1.00 63.41 H new ATOM 0 HB3 LEU A 54 19.611 -3.665 -2.053 1.00 63.41 H new ATOM 0 HG LEU A 54 16.766 -2.830 -1.849 1.00 55.31 H new ATOM 0 HD11 LEU A 54 16.723 -3.738 -4.139 1.00 3.54 H new ATOM 0 HD12 LEU A 54 18.041 -2.563 -3.919 1.00 3.54 H new ATOM 0 HD13 LEU A 54 18.398 -4.306 -3.940 1.00 3.54 H new ATOM 0 HD21 LEU A 54 15.956 -5.124 -2.249 1.00 51.15 H new ATOM 0 HD22 LEU A 54 17.600 -5.747 -1.973 1.00 51.15 H new ATOM 0 HD23 LEU A 54 16.713 -4.960 -0.646 1.00 51.15 H new ATOM 928 N TRP A 55 20.891 -5.368 -0.660 1.00 13.45 N ATOM 929 CA TRP A 55 21.648 -6.596 -0.873 1.00 5.52 C ATOM 930 C TRP A 55 21.430 -7.576 0.274 1.00 3.13 C ATOM 931 O TRP A 55 21.298 -8.781 0.058 1.00 11.21 O ATOM 932 CB TRP A 55 23.139 -6.281 -1.015 1.00 74.31 C ATOM 933 CG TRP A 55 23.779 -5.846 0.268 1.00 21.21 C ATOM 934 CD1 TRP A 55 23.903 -4.567 0.730 1.00 53.21 C ATOM 935 CD2 TRP A 55 24.385 -6.691 1.253 1.00 42.52 C ATOM 936 NE1 TRP A 55 24.549 -4.565 1.942 1.00 21.14 N ATOM 937 CE2 TRP A 55 24.855 -5.855 2.286 1.00 73.54 C ATOM 938 CE3 TRP A 55 24.575 -8.071 1.364 1.00 50.51 C ATOM 939 CZ2 TRP A 55 25.502 -6.357 3.412 1.00 41.14 C ATOM 940 CZ3 TRP A 55 25.218 -8.567 2.482 1.00 50.41 C ATOM 941 CH2 TRP A 55 25.675 -7.712 3.494 1.00 14.11 C ATOM 0 H TRP A 55 21.407 -4.513 -0.867 1.00 13.45 H new ATOM 0 HA TRP A 55 21.292 -7.059 -1.793 1.00 5.52 H new ATOM 0 HB2 TRP A 55 23.656 -7.165 -1.389 1.00 74.31 H new ATOM 0 HB3 TRP A 55 23.268 -5.497 -1.761 1.00 74.31 H new ATOM 0 HD1 TRP A 55 23.545 -3.686 0.217 1.00 53.21 H new ATOM 0 HE1 TRP A 55 24.766 -3.737 2.496 1.00 21.14 H new ATOM 0 HE3 TRP A 55 24.226 -8.738 0.590 1.00 50.51 H new ATOM 0 HZ2 TRP A 55 25.855 -5.700 4.193 1.00 41.14 H new ATOM 0 HZ3 TRP A 55 25.371 -9.632 2.578 1.00 50.41 H new ATOM 0 HH2 TRP A 55 26.174 -8.131 4.356 1.00 14.11 H new ATOM 952 N LYS A 56 21.394 -7.053 1.495 1.00 14.22 N ATOM 953 CA LYS A 56 21.190 -7.882 2.677 1.00 12.44 C ATOM 954 C LYS A 56 19.763 -8.418 2.726 1.00 31.42 C ATOM 955 O LYS A 56 19.546 -9.617 2.903 1.00 25.34 O ATOM 956 CB LYS A 56 21.488 -7.079 3.946 1.00 53.22 C ATOM 957 CG LYS A 56 21.641 -7.939 5.188 1.00 34.12 C ATOM 958 CD LYS A 56 23.041 -8.519 5.296 1.00 10.01 C ATOM 959 CE LYS A 56 23.239 -9.256 6.612 1.00 43.32 C ATOM 960 NZ LYS A 56 24.648 -9.173 7.087 1.00 63.43 N ATOM 0 H LYS A 56 21.504 -6.058 1.692 1.00 14.22 H new ATOM 0 HA LYS A 56 21.875 -8.728 2.620 1.00 12.44 H new ATOM 0 HB2 LYS A 56 22.403 -6.506 3.796 1.00 53.22 H new ATOM 0 HB3 LYS A 56 20.684 -6.361 4.108 1.00 53.22 H new ATOM 0 HG2 LYS A 56 21.424 -7.342 6.074 1.00 34.12 H new ATOM 0 HG3 LYS A 56 20.912 -8.749 5.163 1.00 34.12 H new ATOM 0 HD2 LYS A 56 23.218 -9.202 4.465 1.00 10.01 H new ATOM 0 HD3 LYS A 56 23.775 -7.718 5.212 1.00 10.01 H new ATOM 0 HE2 LYS A 56 22.576 -8.835 7.367 1.00 43.32 H new ATOM 0 HE3 LYS A 56 22.958 -10.302 6.488 1.00 43.32 H new ATOM 0 HZ1 LYS A 56 24.742 -9.687 7.986 1.00 63.43 H new ATOM 0 HZ2 LYS A 56 25.279 -9.597 6.378 1.00 63.43 H new ATOM 0 HZ3 LYS A 56 24.908 -8.176 7.229 1.00 63.43 H new ATOM 974 N ARG A 57 18.793 -7.524 2.567 1.00 42.35 N ATOM 975 CA ARG A 57 17.387 -7.908 2.592 1.00 21.22 C ATOM 976 C ARG A 57 17.106 -9.011 1.575 1.00 3.25 C ATOM 977 O ARG A 57 16.330 -9.928 1.839 1.00 72.05 O ATOM 978 CB ARG A 57 16.500 -6.696 2.304 1.00 35.01 C ATOM 979 CG ARG A 57 16.892 -5.454 3.087 1.00 10.13 C ATOM 980 CD ARG A 57 15.722 -4.909 3.891 1.00 33.31 C ATOM 981 NE ARG A 57 14.609 -4.508 3.035 1.00 73.44 N ATOM 982 CZ ARG A 57 14.556 -3.346 2.394 1.00 1.10 C ATOM 983 NH1 ARG A 57 15.548 -2.475 2.512 1.00 3.52 N ATOM 984 NH2 ARG A 57 13.509 -3.053 1.633 1.00 64.43 N ATOM 0 H ARG A 57 18.955 -6.528 2.419 1.00 42.35 H new ATOM 0 HA ARG A 57 17.158 -8.289 3.587 1.00 21.22 H new ATOM 0 HB2 ARG A 57 16.541 -6.471 1.238 1.00 35.01 H new ATOM 0 HB3 ARG A 57 15.466 -6.950 2.536 1.00 35.01 H new ATOM 0 HG2 ARG A 57 17.717 -5.692 3.759 1.00 10.13 H new ATOM 0 HG3 ARG A 57 17.251 -4.688 2.400 1.00 10.13 H new ATOM 0 HD2 ARG A 57 15.382 -5.668 4.596 1.00 33.31 H new ATOM 0 HD3 ARG A 57 16.054 -4.053 4.479 1.00 33.31 H new ATOM 0 HE ARG A 57 13.829 -5.156 2.923 1.00 73.44 H new ATOM 0 HH11 ARG A 57 16.354 -2.696 3.096 1.00 3.52 H new ATOM 0 HH12 ARG A 57 15.505 -1.583 2.019 1.00 3.52 H new ATOM 0 HH21 ARG A 57 12.744 -3.721 1.540 1.00 64.43 H new ATOM 0 HH22 ARG A 57 13.470 -2.160 1.141 1.00 64.43 H new ATOM 998 N ASN A 58 17.744 -8.913 0.413 1.00 34.23 N ATOM 999 CA ASN A 58 17.562 -9.902 -0.644 1.00 14.44 C ATOM 1000 C ASN A 58 18.133 -11.254 -0.228 1.00 50.21 C ATOM 1001 O ASN A 58 17.445 -12.273 -0.283 1.00 31.23 O ATOM 1002 CB ASN A 58 18.231 -9.427 -1.935 1.00 25.31 C ATOM 1003 CG ASN A 58 17.291 -8.623 -2.812 1.00 64.43 C ATOM 1004 OD1 ASN A 58 16.140 -9.006 -3.022 1.00 64.51 O ATOM 1005 ND2 ASN A 58 17.779 -7.502 -3.330 1.00 64.10 N ATOM 0 H ASN A 58 18.391 -8.160 0.179 1.00 34.23 H new ATOM 0 HA ASN A 58 16.492 -10.019 -0.819 1.00 14.44 H new ATOM 0 HB2 ASN A 58 19.101 -8.819 -1.687 1.00 25.31 H new ATOM 0 HB3 ASN A 58 18.593 -10.291 -2.492 1.00 25.31 H new ATOM 0 HD21 ASN A 58 17.194 -6.920 -3.929 1.00 64.10 H new ATOM 0 HD22 ASN A 58 18.739 -7.223 -3.129 1.00 64.10 H new ATOM 1012 N ASP A 59 19.395 -11.254 0.187 1.00 33.14 N ATOM 1013 CA ASP A 59 20.059 -12.480 0.614 1.00 31.31 C ATOM 1014 C ASP A 59 19.244 -13.194 1.689 1.00 45.32 C ATOM 1015 O ASP A 59 18.941 -14.381 1.567 1.00 23.31 O ATOM 1016 CB ASP A 59 21.461 -12.169 1.141 1.00 34.52 C ATOM 1017 CG ASP A 59 22.243 -13.423 1.480 1.00 70.12 C ATOM 1018 OD1 ASP A 59 21.858 -14.511 1.001 1.00 12.34 O ATOM 1019 OD2 ASP A 59 23.241 -13.317 2.223 1.00 50.45 O ATOM 0 H ASP A 59 19.979 -10.419 0.237 1.00 33.14 H new ATOM 0 HA ASP A 59 20.142 -13.139 -0.250 1.00 31.31 H new ATOM 0 HB2 ASP A 59 22.008 -11.594 0.394 1.00 34.52 H new ATOM 0 HB3 ASP A 59 21.381 -11.543 2.029 1.00 34.52 H new ATOM 1024 N LEU A 60 18.894 -12.462 2.741 1.00 20.40 N ATOM 1025 CA LEU A 60 18.115 -13.025 3.839 1.00 63.23 C ATOM 1026 C LEU A 60 16.799 -13.605 3.331 1.00 31.02 C ATOM 1027 O LEU A 60 16.347 -14.651 3.798 1.00 65.11 O ATOM 1028 CB LEU A 60 17.840 -11.955 4.896 1.00 2.32 C ATOM 1029 CG LEU A 60 19.069 -11.256 5.479 1.00 52.50 C ATOM 1030 CD1 LEU A 60 18.728 -9.831 5.889 1.00 62.22 C ATOM 1031 CD2 LEU A 60 19.615 -12.037 6.665 1.00 62.44 C ATOM 0 H LEU A 60 19.137 -11.478 2.857 1.00 20.40 H new ATOM 0 HA LEU A 60 18.696 -13.830 4.289 1.00 63.23 H new ATOM 0 HB2 LEU A 60 17.190 -11.198 4.457 1.00 2.32 H new ATOM 0 HB3 LEU A 60 17.286 -12.415 5.714 1.00 2.32 H new ATOM 0 HG LEU A 60 19.840 -11.217 4.709 1.00 52.50 H new ATOM 0 HD11 LEU A 60 19.614 -9.349 6.302 1.00 62.22 H new ATOM 0 HD12 LEU A 60 18.385 -9.274 5.017 1.00 62.22 H new ATOM 0 HD13 LEU A 60 17.940 -9.848 6.642 1.00 62.22 H new ATOM 0 HD21 LEU A 60 20.489 -11.525 7.067 1.00 62.44 H new ATOM 0 HD22 LEU A 60 18.849 -12.108 7.437 1.00 62.44 H new ATOM 0 HD23 LEU A 60 19.898 -13.039 6.342 1.00 62.44 H new ATOM 1043 N LYS A 61 16.188 -12.920 2.371 1.00 52.32 N ATOM 1044 CA LYS A 61 14.925 -13.367 1.796 1.00 73.20 C ATOM 1045 C LYS A 61 15.060 -14.769 1.211 1.00 72.34 C ATOM 1046 O LYS A 61 14.294 -15.672 1.550 1.00 3.35 O ATOM 1047 CB LYS A 61 14.461 -12.393 0.711 1.00 12.41 C ATOM 1048 CG LYS A 61 13.482 -11.345 1.213 1.00 60.13 C ATOM 1049 CD LYS A 61 12.697 -10.723 0.070 1.00 33.22 C ATOM 1050 CE LYS A 61 13.438 -9.543 -0.538 1.00 42.23 C ATOM 1051 NZ LYS A 61 12.543 -8.698 -1.377 1.00 2.15 N ATOM 0 H LYS A 61 16.548 -12.052 1.974 1.00 52.32 H new ATOM 0 HA LYS A 61 14.182 -13.394 2.593 1.00 73.20 H new ATOM 0 HB2 LYS A 61 15.332 -11.892 0.288 1.00 12.41 H new ATOM 0 HB3 LYS A 61 13.994 -12.957 -0.096 1.00 12.41 H new ATOM 0 HG2 LYS A 61 12.792 -11.801 1.924 1.00 60.13 H new ATOM 0 HG3 LYS A 61 14.024 -10.566 1.749 1.00 60.13 H new ATOM 0 HD2 LYS A 61 12.514 -11.474 -0.698 1.00 33.22 H new ATOM 0 HD3 LYS A 61 11.723 -10.395 0.433 1.00 33.22 H new ATOM 0 HE2 LYS A 61 13.869 -8.936 0.258 1.00 42.23 H new ATOM 0 HE3 LYS A 61 14.266 -9.908 -1.145 1.00 42.23 H new ATOM 0 HZ1 LYS A 61 13.099 -8.243 -2.129 1.00 2.15 H new ATOM 0 HZ2 LYS A 61 11.805 -9.293 -1.805 1.00 2.15 H new ATOM 0 HZ3 LYS A 61 12.099 -7.968 -0.784 1.00 2.15 H new ATOM 1065 N LYS A 62 16.039 -14.946 0.330 1.00 71.01 N ATOM 1066 CA LYS A 62 16.277 -16.239 -0.301 1.00 51.31 C ATOM 1067 C LYS A 62 16.476 -17.328 0.748 1.00 14.00 C ATOM 1068 O LYS A 62 15.970 -18.442 0.606 1.00 41.45 O ATOM 1069 CB LYS A 62 17.503 -16.166 -1.214 1.00 52.43 C ATOM 1070 CG LYS A 62 17.297 -15.292 -2.439 1.00 43.35 C ATOM 1071 CD LYS A 62 18.422 -14.283 -2.600 1.00 0.33 C ATOM 1072 CE LYS A 62 18.186 -13.370 -3.793 1.00 62.04 C ATOM 1073 NZ LYS A 62 19.429 -12.659 -4.202 1.00 0.43 N ATOM 0 H LYS A 62 16.681 -14.210 0.037 1.00 71.01 H new ATOM 0 HA LYS A 62 15.401 -16.490 -0.899 1.00 51.31 H new ATOM 0 HB2 LYS A 62 18.349 -15.783 -0.643 1.00 52.43 H new ATOM 0 HB3 LYS A 62 17.766 -17.173 -1.537 1.00 52.43 H new ATOM 0 HG2 LYS A 62 17.239 -15.919 -3.329 1.00 43.35 H new ATOM 0 HG3 LYS A 62 16.345 -14.767 -2.357 1.00 43.35 H new ATOM 0 HD2 LYS A 62 18.507 -13.684 -1.693 1.00 0.33 H new ATOM 0 HD3 LYS A 62 19.369 -14.809 -2.725 1.00 0.33 H new ATOM 0 HE2 LYS A 62 17.811 -13.957 -4.631 1.00 62.04 H new ATOM 0 HE3 LYS A 62 17.415 -12.640 -3.545 1.00 62.04 H new ATOM 0 HZ1 LYS A 62 19.226 -12.047 -5.018 1.00 0.43 H new ATOM 0 HZ2 LYS A 62 19.773 -12.078 -3.411 1.00 0.43 H new ATOM 0 HZ3 LYS A 62 20.157 -13.354 -4.463 1.00 0.43 H new ATOM 1087 N LYS A 63 17.214 -16.999 1.803 1.00 73.41 N ATOM 1088 CA LYS A 63 17.477 -17.948 2.878 1.00 23.12 C ATOM 1089 C LYS A 63 16.186 -18.331 3.595 1.00 4.40 C ATOM 1090 O LYS A 63 16.038 -19.458 4.066 1.00 13.55 O ATOM 1091 CB LYS A 63 18.472 -17.354 3.878 1.00 15.43 C ATOM 1092 CG LYS A 63 19.069 -18.380 4.825 1.00 12.14 C ATOM 1093 CD LYS A 63 20.059 -17.743 5.786 1.00 51.41 C ATOM 1094 CE LYS A 63 19.349 -16.969 6.886 1.00 51.50 C ATOM 1095 NZ LYS A 63 20.312 -16.323 7.820 1.00 1.12 N ATOM 0 H LYS A 63 17.641 -16.082 1.936 1.00 73.41 H new ATOM 0 HA LYS A 63 17.907 -18.848 2.437 1.00 23.12 H new ATOM 0 HB2 LYS A 63 19.278 -16.866 3.330 1.00 15.43 H new ATOM 0 HB3 LYS A 63 17.971 -16.582 4.462 1.00 15.43 H new ATOM 0 HG2 LYS A 63 18.271 -18.862 5.390 1.00 12.14 H new ATOM 0 HG3 LYS A 63 19.569 -19.160 4.250 1.00 12.14 H new ATOM 0 HD2 LYS A 63 20.686 -18.516 6.230 1.00 51.41 H new ATOM 0 HD3 LYS A 63 20.721 -17.073 5.237 1.00 51.41 H new ATOM 0 HE2 LYS A 63 18.710 -16.207 6.440 1.00 51.50 H new ATOM 0 HE3 LYS A 63 18.699 -17.644 7.444 1.00 51.50 H new ATOM 0 HZ1 LYS A 63 19.789 -15.806 8.555 1.00 1.12 H new ATOM 0 HZ2 LYS A 63 20.905 -17.052 8.266 1.00 1.12 H new ATOM 0 HZ3 LYS A 63 20.915 -15.660 7.293 1.00 1.12 H new ATOM 1109 N ALA A 64 15.255 -17.385 3.672 1.00 62.51 N ATOM 1110 CA ALA A 64 13.976 -17.625 4.328 1.00 72.21 C ATOM 1111 C ALA A 64 13.013 -18.359 3.401 1.00 54.10 C ATOM 1112 O ALA A 64 11.847 -18.569 3.740 1.00 41.21 O ATOM 1113 CB ALA A 64 13.366 -16.311 4.792 1.00 3.42 C ATOM 0 H ALA A 64 15.363 -16.446 3.288 1.00 62.51 H new ATOM 0 HA ALA A 64 14.155 -18.257 5.198 1.00 72.21 H new ATOM 0 HB1 ALA A 64 12.411 -16.505 5.280 1.00 3.42 H new ATOM 0 HB2 ALA A 64 14.041 -15.825 5.496 1.00 3.42 H new ATOM 0 HB3 ALA A 64 13.208 -15.660 3.932 1.00 3.42 H new ATOM 1119 N LEU A 65 13.506 -18.746 2.230 1.00 74.32 N ATOM 1120 CA LEU A 65 12.688 -19.457 1.253 1.00 51.33 C ATOM 1121 C LEU A 65 11.634 -18.533 0.651 1.00 73.24 C ATOM 1122 O LEU A 65 10.549 -18.976 0.270 1.00 30.14 O ATOM 1123 CB LEU A 65 12.012 -20.664 1.905 1.00 10.12 C ATOM 1124 CG LEU A 65 12.881 -21.485 2.859 1.00 74.34 C ATOM 1125 CD1 LEU A 65 12.013 -22.338 3.771 1.00 74.34 C ATOM 1126 CD2 LEU A 65 13.853 -22.357 2.077 1.00 2.41 C ATOM 0 H LEU A 65 14.468 -18.580 1.934 1.00 74.32 H new ATOM 0 HA LEU A 65 13.341 -19.804 0.452 1.00 51.33 H new ATOM 0 HB2 LEU A 65 11.137 -20.313 2.453 1.00 10.12 H new ATOM 0 HB3 LEU A 65 11.651 -21.323 1.116 1.00 10.12 H new ATOM 0 HG LEU A 65 13.457 -20.798 3.478 1.00 74.34 H new ATOM 0 HD11 LEU A 65 12.648 -22.915 4.443 1.00 74.34 H new ATOM 0 HD12 LEU A 65 11.357 -21.694 4.356 1.00 74.34 H new ATOM 0 HD13 LEU A 65 11.410 -23.018 3.168 1.00 74.34 H new ATOM 0 HD21 LEU A 65 14.463 -22.934 2.771 1.00 2.41 H new ATOM 0 HD22 LEU A 65 13.295 -23.037 1.433 1.00 2.41 H new ATOM 0 HD23 LEU A 65 14.498 -21.725 1.466 1.00 2.41 H new ATOM 1138 N LEU A 66 11.960 -17.248 0.565 1.00 71.43 N ATOM 1139 CA LEU A 66 11.042 -16.262 0.006 1.00 1.41 C ATOM 1140 C LEU A 66 11.184 -16.183 -1.511 1.00 31.14 C ATOM 1141 O LEU A 66 10.228 -15.867 -2.219 1.00 15.15 O ATOM 1142 CB LEU A 66 11.301 -14.887 0.626 1.00 72.23 C ATOM 1143 CG LEU A 66 10.342 -14.461 1.738 1.00 53.13 C ATOM 1144 CD1 LEU A 66 11.032 -13.509 2.703 1.00 61.55 C ATOM 1145 CD2 LEU A 66 9.096 -13.815 1.149 1.00 72.30 C ATOM 0 H LEU A 66 12.853 -16.865 0.875 1.00 71.43 H new ATOM 0 HA LEU A 66 10.025 -16.575 0.241 1.00 1.41 H new ATOM 0 HB2 LEU A 66 12.316 -14.876 1.024 1.00 72.23 H new ATOM 0 HB3 LEU A 66 11.261 -14.140 -0.167 1.00 72.23 H new ATOM 0 HG LEU A 66 10.040 -15.350 2.291 1.00 53.13 H new ATOM 0 HD11 LEU A 66 10.334 -13.217 3.487 1.00 61.55 H new ATOM 0 HD12 LEU A 66 11.893 -14.005 3.150 1.00 61.55 H new ATOM 0 HD13 LEU A 66 11.364 -12.622 2.164 1.00 61.55 H new ATOM 0 HD21 LEU A 66 8.425 -13.518 1.955 1.00 72.30 H new ATOM 0 HD22 LEU A 66 9.381 -12.936 0.571 1.00 72.30 H new ATOM 0 HD23 LEU A 66 8.589 -14.528 0.499 1.00 72.30 H new ATOM 1157 N PHE A 67 12.383 -16.475 -2.003 1.00 61.04 N ATOM 1158 CA PHE A 67 12.650 -16.439 -3.437 1.00 1.25 C ATOM 1159 C PHE A 67 12.877 -17.845 -3.983 1.00 73.33 C ATOM 1160 O PHE A 67 14.015 -18.269 -4.181 1.00 51.53 O ATOM 1161 CB PHE A 67 13.871 -15.564 -3.727 1.00 50.44 C ATOM 1162 CG PHE A 67 13.621 -14.097 -3.519 1.00 31.44 C ATOM 1163 CD1 PHE A 67 12.336 -13.623 -3.311 1.00 33.14 C ATOM 1164 CD2 PHE A 67 14.671 -13.193 -3.530 1.00 31.53 C ATOM 1165 CE1 PHE A 67 12.103 -12.274 -3.119 1.00 72.30 C ATOM 1166 CE2 PHE A 67 14.444 -11.843 -3.338 1.00 61.42 C ATOM 1167 CZ PHE A 67 13.158 -11.384 -3.132 1.00 4.44 C ATOM 0 H PHE A 67 13.185 -16.739 -1.431 1.00 61.04 H new ATOM 0 HA PHE A 67 11.779 -16.012 -3.933 1.00 1.25 H new ATOM 0 HB2 PHE A 67 14.694 -15.879 -3.085 1.00 50.44 H new ATOM 0 HB3 PHE A 67 14.189 -15.728 -4.757 1.00 50.44 H new ATOM 0 HD1 PHE A 67 11.507 -14.315 -3.299 1.00 33.14 H new ATOM 0 HD2 PHE A 67 15.679 -13.547 -3.690 1.00 31.53 H new ATOM 0 HE1 PHE A 67 11.096 -11.917 -2.959 1.00 72.30 H new ATOM 0 HE2 PHE A 67 15.271 -11.148 -3.349 1.00 61.42 H new ATOM 0 HZ PHE A 67 12.978 -10.330 -2.981 1.00 4.44 H new TER 1177 PHE A 67