USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0499 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.598 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= -0.0065 (180deg=-0.117) USER MOD Single : A 18 GLN : amide:sc= -0.529 K(o=-0.53,f=-2.3) USER MOD Single : A 30 CYS SG : rot 180:sc= -3.87! USER MOD Single : A 33 SER OG : rot -107:sc= 1.14 USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.06 USER MOD Single : A 40 HIS : no HE2:sc= -0.0347 K(o=-0.035,f=-0.71) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0204 (180deg=-0.198) USER MOD Single : A 50 LYS NZ :NH3+ -98:sc= 1.05 (180deg=-0.52) USER MOD Single : A 51 SER OG : rot -71:sc= 0.136 USER MOD Single : A 52 GLN : amide:sc= -0.864 X(o=-0.86,f=-0.57) USER MOD Single : A 53 LYS NZ :NH3+ -145:sc= -0.65 (180deg=-2.11!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 161:sc= 0.527 USER MOD Single : A 61 THR OG1 : rot -9:sc= 0.724 USER MOD Single : A 62 MET CE :methyl -108:sc= -5.02! (180deg=-11.3!) USER MOD Single : A 64 MET CE :methyl 165:sc= -0.0491 (180deg=-0.395) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 25:sc= -1.73 USER MOD Single : A 85 SER OG : rot -120:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -110:sc= -0.0321 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00824) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 36:sc= 0.377 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.858 35.287 0.221 1.00 0.00 N ATOM 2 CA GLY A 1 14.364 36.436 -0.516 1.00 0.00 C ATOM 3 C GLY A 1 13.006 36.897 -0.027 1.00 0.00 C ATOM 4 O GLY A 1 12.621 36.621 1.109 1.00 0.00 O ATOM 0 H1 GLY A 1 15.875 35.404 0.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.349 35.209 1.125 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.705 34.424 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.077 37.256 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.300 36.185 -1.575 1.00 0.00 H new ATOM 8 N SER A 2 12.278 37.604 -0.885 1.00 0.00 N ATOM 9 CA SER A 2 10.957 38.110 -0.532 1.00 0.00 C ATOM 10 C SER A 2 9.987 36.962 -0.273 1.00 0.00 C ATOM 11 O SER A 2 9.389 36.870 0.800 1.00 0.00 O ATOM 12 CB SER A 2 10.416 39.007 -1.648 1.00 0.00 C ATOM 13 OG SER A 2 11.084 40.257 -1.666 1.00 0.00 O ATOM 0 H SER A 2 12.581 37.840 -1.830 1.00 0.00 H new ATOM 0 HA SER A 2 11.052 38.696 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.540 38.511 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.347 39.164 -1.506 1.00 0.00 H new ATOM 0 HG SER A 2 10.722 40.811 -2.389 1.00 0.00 H new ATOM 19 N SER A 3 9.836 36.088 -1.263 1.00 0.00 N ATOM 20 CA SER A 3 8.936 34.947 -1.144 1.00 0.00 C ATOM 21 C SER A 3 9.567 33.693 -1.741 1.00 0.00 C ATOM 22 O SER A 3 9.792 33.612 -2.948 1.00 0.00 O ATOM 23 CB SER A 3 7.607 35.244 -1.841 1.00 0.00 C ATOM 24 OG SER A 3 7.805 35.536 -3.214 1.00 0.00 O ATOM 0 H SER A 3 10.325 36.148 -2.156 1.00 0.00 H new ATOM 0 HA SER A 3 8.751 34.771 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.941 34.387 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.118 36.087 -1.354 1.00 0.00 H new ATOM 0 HG SER A 3 8.526 34.974 -3.567 1.00 0.00 H new ATOM 30 N GLY A 4 9.850 32.715 -0.885 1.00 0.00 N ATOM 31 CA GLY A 4 10.453 31.478 -1.345 1.00 0.00 C ATOM 32 C GLY A 4 9.749 30.907 -2.560 1.00 0.00 C ATOM 33 O GLY A 4 8.533 31.036 -2.699 1.00 0.00 O ATOM 0 H GLY A 4 9.672 32.758 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.501 31.656 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.432 30.745 -0.539 1.00 0.00 H new ATOM 37 N SER A 5 10.516 30.275 -3.444 1.00 0.00 N ATOM 38 CA SER A 5 9.959 29.687 -4.656 1.00 0.00 C ATOM 39 C SER A 5 8.726 28.848 -4.336 1.00 0.00 C ATOM 40 O SER A 5 8.547 28.392 -3.207 1.00 0.00 O ATOM 41 CB SER A 5 11.009 28.824 -5.358 1.00 0.00 C ATOM 42 OG SER A 5 10.701 28.663 -6.732 1.00 0.00 O ATOM 0 H SER A 5 11.524 30.158 -3.343 1.00 0.00 H new ATOM 0 HA SER A 5 9.662 30.498 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.991 29.284 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.062 27.847 -4.877 1.00 0.00 H new ATOM 0 HG SER A 5 11.388 28.109 -7.159 1.00 0.00 H new ATOM 48 N SER A 6 7.877 28.648 -5.340 1.00 0.00 N ATOM 49 CA SER A 6 6.658 27.868 -5.166 1.00 0.00 C ATOM 50 C SER A 6 6.896 26.402 -5.518 1.00 0.00 C ATOM 51 O SER A 6 7.438 26.087 -6.577 1.00 0.00 O ATOM 52 CB SER A 6 5.534 28.436 -6.035 1.00 0.00 C ATOM 53 OG SER A 6 4.959 29.585 -5.437 1.00 0.00 O ATOM 0 H SER A 6 8.012 29.016 -6.282 1.00 0.00 H new ATOM 0 HA SER A 6 6.364 27.930 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.925 28.692 -7.020 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.766 27.677 -6.184 1.00 0.00 H new ATOM 0 HG SER A 6 4.245 29.930 -6.012 1.00 0.00 H new ATOM 59 N GLY A 7 6.487 25.510 -4.621 1.00 0.00 N ATOM 60 CA GLY A 7 6.665 24.089 -4.854 1.00 0.00 C ATOM 61 C GLY A 7 6.282 23.252 -3.650 1.00 0.00 C ATOM 62 O GLY A 7 7.133 22.826 -2.867 1.00 0.00 O ATOM 0 H GLY A 7 6.036 25.746 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.062 23.786 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.706 23.894 -5.112 1.00 0.00 H new ATOM 66 N PRO A 8 4.974 23.005 -3.487 1.00 0.00 N ATOM 67 CA PRO A 8 4.451 22.212 -2.370 1.00 0.00 C ATOM 68 C PRO A 8 4.815 20.736 -2.487 1.00 0.00 C ATOM 69 O PRO A 8 5.474 20.323 -3.440 1.00 0.00 O ATOM 70 CB PRO A 8 2.936 22.400 -2.481 1.00 0.00 C ATOM 71 CG PRO A 8 2.697 22.713 -3.918 1.00 0.00 C ATOM 72 CD PRO A 8 3.905 23.480 -4.381 1.00 0.00 C ATOM 0 HA PRO A 8 4.865 22.532 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.402 21.499 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.589 23.208 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.567 21.800 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.789 23.303 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.135 23.275 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.756 24.556 -4.293 1.00 0.00 H new ATOM 80 N ALA A 9 4.381 19.945 -1.511 1.00 0.00 N ATOM 81 CA ALA A 9 4.659 18.515 -1.506 1.00 0.00 C ATOM 82 C ALA A 9 3.426 17.714 -1.910 1.00 0.00 C ATOM 83 O ALA A 9 3.334 16.518 -1.636 1.00 0.00 O ATOM 84 CB ALA A 9 5.148 18.077 -0.133 1.00 0.00 C ATOM 0 H ALA A 9 3.835 20.271 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 9 5.443 18.320 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.352 17.006 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.061 18.618 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.382 18.293 0.612 1.00 0.00 H new ATOM 90 N ALA A 10 2.480 18.382 -2.562 1.00 0.00 N ATOM 91 CA ALA A 10 1.253 17.732 -3.004 1.00 0.00 C ATOM 92 C ALA A 10 1.557 16.458 -3.785 1.00 0.00 C ATOM 93 O ALA A 10 2.710 16.184 -4.119 1.00 0.00 O ATOM 94 CB ALA A 10 0.425 18.687 -3.852 1.00 0.00 C ATOM 0 H ALA A 10 2.540 19.373 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 10 0.679 17.457 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.489 18.188 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.169 19.568 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.001 18.990 -4.726 1.00 0.00 H new ATOM 100 N ILE A 11 0.517 15.682 -4.071 1.00 0.00 N ATOM 101 CA ILE A 11 0.675 14.437 -4.812 1.00 0.00 C ATOM 102 C ILE A 11 0.255 14.607 -6.268 1.00 0.00 C ATOM 103 O ILE A 11 -0.915 14.850 -6.563 1.00 0.00 O ATOM 104 CB ILE A 11 -0.150 13.298 -4.182 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.204 13.142 -2.702 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.090 11.995 -4.930 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.865 12.437 -1.897 1.00 0.00 C ATOM 0 H ILE A 11 -0.444 15.893 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 11 1.732 14.176 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.208 13.549 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.138 12.586 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.380 14.128 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.499 11.200 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.206 12.114 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.148 11.737 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.547 12.361 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.795 13.003 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.025 11.437 -2.301 1.00 0.00 H new ATOM 119 N ILE A 12 1.218 14.476 -7.175 1.00 0.00 N ATOM 120 CA ILE A 12 0.948 14.613 -8.601 1.00 0.00 C ATOM 121 C ILE A 12 0.515 13.283 -9.208 1.00 0.00 C ATOM 122 O ILE A 12 -0.330 13.242 -10.102 1.00 0.00 O ATOM 123 CB ILE A 12 2.182 15.134 -9.360 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.466 14.620 -8.704 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.175 16.654 -9.403 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.978 15.513 -7.596 1.00 0.00 C ATOM 0 H ILE A 12 2.192 14.275 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 12 0.139 15.336 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 12 2.145 14.761 -10.384 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.285 13.623 -8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.239 14.521 -9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.054 17.007 -9.943 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.274 16.999 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.192 17.047 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.890 15.087 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.191 16.504 -7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.222 15.593 -6.814 1.00 0.00 H new ATOM 138 N LYS A 13 1.098 12.196 -8.715 1.00 0.00 N ATOM 139 CA LYS A 13 0.772 10.862 -9.206 1.00 0.00 C ATOM 140 C LYS A 13 0.050 10.050 -8.135 1.00 0.00 C ATOM 141 O LYS A 13 0.666 9.467 -7.243 1.00 0.00 O ATOM 142 CB LYS A 13 2.043 10.132 -9.644 1.00 0.00 C ATOM 143 CG LYS A 13 2.761 10.802 -10.803 1.00 0.00 C ATOM 144 CD LYS A 13 3.908 9.948 -11.317 1.00 0.00 C ATOM 145 CE LYS A 13 4.311 10.348 -12.728 1.00 0.00 C ATOM 146 NZ LYS A 13 3.308 9.909 -13.737 1.00 0.00 N ATOM 0 H LYS A 13 1.800 12.212 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 13 0.109 10.970 -10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.724 10.065 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.786 9.111 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.054 10.988 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.143 11.772 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.765 10.048 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.615 8.898 -11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.428 11.431 -12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.281 9.911 -12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.724 9.967 -14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.026 8.927 -13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.472 10.526 -13.687 1.00 0.00 H new ATOM 160 N PRO A 14 -1.288 10.009 -8.224 1.00 0.00 N ATOM 161 CA PRO A 14 -2.122 9.269 -7.272 1.00 0.00 C ATOM 162 C PRO A 14 -1.968 7.759 -7.418 1.00 0.00 C ATOM 163 O PRO A 14 -1.427 7.273 -8.411 1.00 0.00 O ATOM 164 CB PRO A 14 -3.545 9.700 -7.639 1.00 0.00 C ATOM 165 CG PRO A 14 -3.463 10.099 -9.072 1.00 0.00 C ATOM 166 CD PRO A 14 -2.089 10.681 -9.261 1.00 0.00 C ATOM 0 HA PRO A 14 -1.850 9.483 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.255 8.885 -7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.881 10.529 -7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.617 9.240 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.234 10.829 -9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.702 10.481 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.089 11.763 -9.130 1.00 0.00 H new ATOM 174 N LEU A 15 -2.447 7.022 -6.422 1.00 0.00 N ATOM 175 CA LEU A 15 -2.364 5.566 -6.439 1.00 0.00 C ATOM 176 C LEU A 15 -3.314 4.978 -7.478 1.00 0.00 C ATOM 177 O LEU A 15 -4.026 5.709 -8.165 1.00 0.00 O ATOM 178 CB LEU A 15 -2.689 5.000 -5.056 1.00 0.00 C ATOM 179 CG LEU A 15 -2.036 5.711 -3.870 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.908 5.589 -2.629 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.648 5.146 -3.607 1.00 0.00 C ATOM 0 H LEU A 15 -2.897 7.409 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.345 5.289 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.770 5.026 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.390 3.952 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.935 6.768 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.428 6.101 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.880 6.042 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.042 4.536 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.199 5.664 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.725 4.082 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.025 5.286 -4.490 1.00 0.00 H new ATOM 193 N GLU A 16 -3.319 3.653 -7.585 1.00 0.00 N ATOM 194 CA GLU A 16 -4.183 2.967 -8.538 1.00 0.00 C ATOM 195 C GLU A 16 -4.666 1.634 -7.975 1.00 0.00 C ATOM 196 O GLU A 16 -3.953 0.971 -7.222 1.00 0.00 O ATOM 197 CB GLU A 16 -3.443 2.737 -9.858 1.00 0.00 C ATOM 198 CG GLU A 16 -3.000 4.021 -10.539 1.00 0.00 C ATOM 199 CD GLU A 16 -2.293 3.769 -11.857 1.00 0.00 C ATOM 200 OE1 GLU A 16 -2.682 2.818 -12.566 1.00 0.00 O ATOM 201 OE2 GLU A 16 -1.351 4.523 -12.178 1.00 0.00 O ATOM 0 H GLU A 16 -2.735 3.034 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.051 3.600 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.568 2.114 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.091 2.181 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.870 4.654 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.334 4.570 -9.873 1.00 0.00 H new ATOM 208 N ASP A 17 -5.882 1.248 -8.344 1.00 0.00 N ATOM 209 CA ASP A 17 -6.462 -0.006 -7.877 1.00 0.00 C ATOM 210 C ASP A 17 -5.523 -1.175 -8.156 1.00 0.00 C ATOM 211 O ASP A 17 -5.011 -1.320 -9.265 1.00 0.00 O ATOM 212 CB ASP A 17 -7.814 -0.249 -8.548 1.00 0.00 C ATOM 213 CG ASP A 17 -8.867 0.750 -8.109 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.491 1.799 -7.547 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.067 0.481 -8.327 1.00 0.00 O ATOM 0 H ASP A 17 -6.486 1.786 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.610 0.069 -6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.694 -0.194 -9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.155 -1.258 -8.316 1.00 0.00 H new ATOM 220 N GLN A 18 -5.303 -2.005 -7.141 1.00 0.00 N ATOM 221 CA GLN A 18 -4.424 -3.161 -7.278 1.00 0.00 C ATOM 222 C GLN A 18 -5.219 -4.461 -7.205 1.00 0.00 C ATOM 223 O GLN A 18 -6.122 -4.602 -6.380 1.00 0.00 O ATOM 224 CB GLN A 18 -3.351 -3.144 -6.188 1.00 0.00 C ATOM 225 CG GLN A 18 -2.482 -1.898 -6.210 1.00 0.00 C ATOM 226 CD GLN A 18 -1.706 -1.750 -7.503 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.658 -2.670 -8.320 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.093 -0.588 -7.697 1.00 0.00 N ATOM 0 H GLN A 18 -5.720 -1.899 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.942 -3.106 -8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.833 -3.223 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.715 -4.022 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.110 -1.019 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.784 -1.932 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.159 0.147 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.556 -0.431 -8.550 1.00 0.00 H new ATOM 237 N TRP A 19 -4.878 -5.406 -8.073 1.00 0.00 N ATOM 238 CA TRP A 19 -5.561 -6.695 -8.107 1.00 0.00 C ATOM 239 C TRP A 19 -4.604 -7.827 -7.752 1.00 0.00 C ATOM 240 O TRP A 19 -3.868 -8.322 -8.606 1.00 0.00 O ATOM 241 CB TRP A 19 -6.167 -6.937 -9.490 1.00 0.00 C ATOM 242 CG TRP A 19 -7.481 -6.244 -9.693 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.705 -6.666 -9.260 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.700 -5.008 -10.382 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.673 -5.766 -9.638 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.082 -4.740 -10.326 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.864 -4.101 -11.037 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.643 -3.604 -10.903 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.423 -2.974 -11.610 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.801 -2.733 -11.539 1.00 0.00 C ATOM 0 H TRP A 19 -4.133 -5.305 -8.763 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.360 -6.675 -7.366 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.464 -6.598 -10.251 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.303 -8.008 -9.637 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.886 -7.573 -8.703 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.670 -5.849 -9.438 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.800 -4.277 -11.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.705 -3.417 -10.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.786 -2.267 -12.121 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.207 -1.842 -11.995 1.00 0.00 H new ATOM 261 N VAL A 20 -4.619 -8.235 -6.487 1.00 0.00 N ATOM 262 CA VAL A 20 -3.753 -9.311 -6.020 1.00 0.00 C ATOM 263 C VAL A 20 -4.570 -10.467 -5.455 1.00 0.00 C ATOM 264 O VAL A 20 -5.800 -10.450 -5.495 1.00 0.00 O ATOM 265 CB VAL A 20 -2.773 -8.814 -4.941 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.974 -7.625 -5.453 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.521 -8.455 -3.666 1.00 0.00 C ATOM 0 H VAL A 20 -5.222 -7.836 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.186 -9.658 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.075 -9.619 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.287 -7.287 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.407 -7.920 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.654 -6.814 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.813 -8.106 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.243 -7.667 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.044 -9.335 -3.291 1.00 0.00 H new ATOM 277 N ALA A 21 -3.877 -11.472 -4.928 1.00 0.00 N ATOM 278 CA ALA A 21 -4.538 -12.636 -4.351 1.00 0.00 C ATOM 279 C ALA A 21 -4.311 -12.707 -2.845 1.00 0.00 C ATOM 280 O ALA A 21 -3.458 -12.015 -2.288 1.00 0.00 O ATOM 281 CB ALA A 21 -4.045 -13.909 -5.022 1.00 0.00 C ATOM 0 H ALA A 21 -2.858 -11.503 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.609 -12.538 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.547 -14.770 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.266 -13.867 -6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.969 -14.003 -4.878 1.00 0.00 H new ATOM 287 N PRO A 22 -5.090 -13.563 -2.168 1.00 0.00 N ATOM 288 CA PRO A 22 -4.992 -13.744 -0.716 1.00 0.00 C ATOM 289 C PRO A 22 -3.701 -14.442 -0.305 1.00 0.00 C ATOM 290 O PRO A 22 -3.633 -15.670 -0.268 1.00 0.00 O ATOM 291 CB PRO A 22 -6.203 -14.620 -0.386 1.00 0.00 C ATOM 292 CG PRO A 22 -6.495 -15.355 -1.648 1.00 0.00 C ATOM 293 CD PRO A 22 -6.128 -14.419 -2.766 1.00 0.00 C ATOM 0 HA PRO A 22 -4.981 -12.792 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.983 -15.308 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.055 -14.016 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.917 -16.277 -1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.547 -15.635 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.752 -14.959 -3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.986 -13.836 -3.100 1.00 0.00 H new ATOM 301 N GLY A 23 -2.677 -13.651 0.003 1.00 0.00 N ATOM 302 CA GLY A 23 -1.402 -14.213 0.407 1.00 0.00 C ATOM 303 C GLY A 23 -0.226 -13.502 -0.234 1.00 0.00 C ATOM 304 O GLY A 23 0.914 -13.656 0.203 1.00 0.00 O ATOM 0 H GLY A 23 -2.708 -12.632 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.310 -14.155 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.373 -15.269 0.140 1.00 0.00 H new ATOM 308 N GLU A 24 -0.504 -12.723 -1.275 1.00 0.00 N ATOM 309 CA GLU A 24 0.541 -11.989 -1.979 1.00 0.00 C ATOM 310 C GLU A 24 0.807 -10.644 -1.309 1.00 0.00 C ATOM 311 O GLU A 24 0.087 -10.240 -0.396 1.00 0.00 O ATOM 312 CB GLU A 24 0.147 -11.772 -3.442 1.00 0.00 C ATOM 313 CG GLU A 24 -0.458 -13.003 -4.097 1.00 0.00 C ATOM 314 CD GLU A 24 -0.206 -13.050 -5.592 1.00 0.00 C ATOM 315 OE1 GLU A 24 0.563 -12.203 -6.092 1.00 0.00 O ATOM 316 OE2 GLU A 24 -0.779 -13.936 -6.261 1.00 0.00 O ATOM 0 H GLU A 24 -1.443 -12.584 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 24 1.454 -12.583 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.568 -10.951 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.028 -11.467 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.043 -13.898 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.532 -13.018 -3.912 1.00 0.00 H new ATOM 323 N ASP A 25 1.847 -9.957 -1.767 1.00 0.00 N ATOM 324 CA ASP A 25 2.209 -8.657 -1.213 1.00 0.00 C ATOM 325 C ASP A 25 1.752 -7.528 -2.131 1.00 0.00 C ATOM 326 O ASP A 25 1.917 -7.599 -3.349 1.00 0.00 O ATOM 327 CB ASP A 25 3.721 -8.575 -0.997 1.00 0.00 C ATOM 328 CG ASP A 25 4.505 -8.958 -2.237 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.480 -10.149 -2.609 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.145 -8.067 -2.833 1.00 0.00 O ATOM 0 H ASP A 25 2.455 -10.278 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 25 1.705 -8.546 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.988 -7.561 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.004 -9.232 -0.175 1.00 0.00 H new ATOM 335 N VAL A 26 1.175 -6.488 -1.539 1.00 0.00 N ATOM 336 CA VAL A 26 0.693 -5.343 -2.303 1.00 0.00 C ATOM 337 C VAL A 26 1.635 -4.153 -2.163 1.00 0.00 C ATOM 338 O VAL A 26 2.097 -3.841 -1.066 1.00 0.00 O ATOM 339 CB VAL A 26 -0.719 -4.922 -1.854 1.00 0.00 C ATOM 340 CG1 VAL A 26 -1.093 -3.577 -2.458 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.737 -5.987 -2.232 1.00 0.00 C ATOM 0 H VAL A 26 1.030 -6.414 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 26 0.656 -5.653 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.721 -4.819 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.094 -3.296 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.379 -2.821 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.075 -3.649 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.729 -5.673 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.736 -6.124 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.477 -6.928 -1.747 1.00 0.00 H new ATOM 351 N GLU A 27 1.915 -3.491 -3.282 1.00 0.00 N ATOM 352 CA GLU A 27 2.803 -2.335 -3.283 1.00 0.00 C ATOM 353 C GLU A 27 2.122 -1.127 -3.919 1.00 0.00 C ATOM 354 O GLU A 27 1.834 -1.121 -5.117 1.00 0.00 O ATOM 355 CB GLU A 27 4.097 -2.658 -4.032 1.00 0.00 C ATOM 356 CG GLU A 27 4.873 -3.819 -3.434 1.00 0.00 C ATOM 357 CD GLU A 27 6.071 -4.215 -4.275 1.00 0.00 C ATOM 358 OE1 GLU A 27 6.806 -3.311 -4.725 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.274 -5.430 -4.482 1.00 0.00 O ATOM 0 H GLU A 27 1.540 -3.736 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 27 3.043 -2.092 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.858 -2.888 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.733 -1.773 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.210 -3.549 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.210 -4.677 -3.326 1.00 0.00 H new ATOM 366 N LEU A 28 1.866 -0.105 -3.110 1.00 0.00 N ATOM 367 CA LEU A 28 1.218 1.110 -3.592 1.00 0.00 C ATOM 368 C LEU A 28 2.197 2.279 -3.612 1.00 0.00 C ATOM 369 O LEU A 28 2.475 2.886 -2.577 1.00 0.00 O ATOM 370 CB LEU A 28 0.014 1.453 -2.713 1.00 0.00 C ATOM 371 CG LEU A 28 -1.014 0.338 -2.518 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.888 0.624 -1.306 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.868 0.175 -3.767 1.00 0.00 C ATOM 0 H LEU A 28 2.097 -0.093 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 28 0.876 0.929 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.380 1.758 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.493 2.315 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.480 -0.596 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.614 -0.180 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.264 0.689 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.413 1.568 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.594 -0.623 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.393 1.108 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.230 -0.077 -4.614 1.00 0.00 H new ATOM 385 N ARG A 29 2.716 2.590 -4.795 1.00 0.00 N ATOM 386 CA ARG A 29 3.664 3.687 -4.949 1.00 0.00 C ATOM 387 C ARG A 29 2.945 4.977 -5.332 1.00 0.00 C ATOM 388 O ARG A 29 1.800 4.950 -5.784 1.00 0.00 O ATOM 389 CB ARG A 29 4.710 3.340 -6.010 1.00 0.00 C ATOM 390 CG ARG A 29 5.653 2.223 -5.593 1.00 0.00 C ATOM 391 CD ARG A 29 6.818 2.086 -6.562 1.00 0.00 C ATOM 392 NE ARG A 29 6.462 1.296 -7.737 1.00 0.00 N ATOM 393 CZ ARG A 29 5.876 1.805 -8.815 1.00 0.00 C ATOM 394 NH1 ARG A 29 5.581 3.097 -8.866 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.584 1.021 -9.845 1.00 0.00 N ATOM 0 H ARG A 29 2.496 2.098 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 29 4.163 3.839 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.201 3.050 -6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.294 4.232 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.033 2.422 -4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.105 1.282 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.146 3.077 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.660 1.618 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 29 6.675 0.298 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.804 3.703 -8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.131 3.485 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.809 0.027 -9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.134 1.412 -10.672 1.00 0.00 H new ATOM 409 N CYS A 30 3.624 6.104 -5.147 1.00 0.00 N ATOM 410 CA CYS A 30 3.049 7.405 -5.471 1.00 0.00 C ATOM 411 C CYS A 30 4.145 8.431 -5.738 1.00 0.00 C ATOM 412 O CYS A 30 5.329 8.098 -5.758 1.00 0.00 O ATOM 413 CB CYS A 30 2.149 7.886 -4.332 1.00 0.00 C ATOM 414 SG CYS A 30 3.023 8.788 -3.032 1.00 0.00 S ATOM 0 H CYS A 30 4.573 6.143 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 30 2.450 7.296 -6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.371 8.528 -4.745 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.650 7.024 -3.889 1.00 0.00 H new ATOM 0 HG CYS A 30 2.178 9.155 -2.115 1.00 0.00 H new ATOM 420 N GLU A 31 3.740 9.681 -5.946 1.00 0.00 N ATOM 421 CA GLU A 31 4.689 10.755 -6.215 1.00 0.00 C ATOM 422 C GLU A 31 4.347 11.999 -5.399 1.00 0.00 C ATOM 423 O GLU A 31 3.204 12.186 -4.980 1.00 0.00 O ATOM 424 CB GLU A 31 4.696 11.097 -7.706 1.00 0.00 C ATOM 425 CG GLU A 31 5.922 11.880 -8.145 1.00 0.00 C ATOM 426 CD GLU A 31 6.283 11.634 -9.597 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.835 10.555 -9.897 1.00 0.00 O ATOM 428 OE2 GLU A 31 6.013 12.522 -10.433 1.00 0.00 O ATOM 0 H GLU A 31 2.763 9.974 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 31 5.681 10.411 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.640 10.174 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.802 11.675 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.741 12.944 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.768 11.608 -7.513 1.00 0.00 H new ATOM 435 N LEU A 32 5.347 12.845 -5.176 1.00 0.00 N ATOM 436 CA LEU A 32 5.154 14.072 -4.410 1.00 0.00 C ATOM 437 C LEU A 32 5.970 15.217 -5.001 1.00 0.00 C ATOM 438 O LEU A 32 7.127 15.036 -5.382 1.00 0.00 O ATOM 439 CB LEU A 32 5.548 13.850 -2.949 1.00 0.00 C ATOM 440 CG LEU A 32 5.322 12.441 -2.399 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.142 12.223 -1.136 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.844 12.207 -2.124 1.00 0.00 C ATOM 0 H LEU A 32 6.299 12.704 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 32 4.099 14.340 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.604 14.097 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.989 14.553 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 32 5.650 11.722 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.968 11.215 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.201 12.348 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.845 12.949 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.702 11.199 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.491 12.933 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.279 12.320 -3.049 1.00 0.00 H new ATOM 454 N SER A 33 5.361 16.396 -5.072 1.00 0.00 N ATOM 455 CA SER A 33 6.031 17.571 -5.617 1.00 0.00 C ATOM 456 C SER A 33 7.230 17.960 -4.759 1.00 0.00 C ATOM 457 O SER A 33 8.007 18.843 -5.122 1.00 0.00 O ATOM 458 CB SER A 33 5.053 18.744 -5.710 1.00 0.00 C ATOM 459 OG SER A 33 5.742 19.969 -5.888 1.00 0.00 O ATOM 0 H SER A 33 4.405 16.563 -4.759 1.00 0.00 H new ATOM 0 HA SER A 33 6.388 17.324 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.367 18.585 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.449 18.791 -4.804 1.00 0.00 H new ATOM 0 HG SER A 33 5.700 20.491 -5.060 1.00 0.00 H new ATOM 465 N ARG A 34 7.373 17.295 -3.617 1.00 0.00 N ATOM 466 CA ARG A 34 8.477 17.571 -2.705 1.00 0.00 C ATOM 467 C ARG A 34 8.998 16.283 -2.076 1.00 0.00 C ATOM 468 O ARG A 34 8.222 15.396 -1.721 1.00 0.00 O ATOM 469 CB ARG A 34 8.030 18.542 -1.610 1.00 0.00 C ATOM 470 CG ARG A 34 9.184 19.185 -0.859 1.00 0.00 C ATOM 471 CD ARG A 34 9.608 20.496 -1.503 1.00 0.00 C ATOM 472 NE ARG A 34 10.414 20.281 -2.701 1.00 0.00 N ATOM 473 CZ ARG A 34 11.685 19.896 -2.672 1.00 0.00 C ATOM 474 NH1 ARG A 34 12.291 19.684 -1.512 1.00 0.00 N ATOM 475 NH2 ARG A 34 12.353 19.722 -3.806 1.00 0.00 N ATOM 0 H ARG A 34 6.738 16.561 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 34 9.284 18.027 -3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.418 19.325 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.397 18.010 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.891 19.365 0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.031 18.499 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.722 21.076 -1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.177 21.086 -0.784 1.00 0.00 H new ATOM 0 HE ARG A 34 9.977 20.435 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.781 19.816 -0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.267 19.388 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.890 19.884 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.329 19.426 -3.783 1.00 0.00 H new ATOM 489 N ALA A 35 10.317 16.187 -1.941 1.00 0.00 N ATOM 490 CA ALA A 35 10.941 15.009 -1.354 1.00 0.00 C ATOM 491 C ALA A 35 10.942 15.089 0.169 1.00 0.00 C ATOM 492 O ALA A 35 10.689 16.146 0.745 1.00 0.00 O ATOM 493 CB ALA A 35 12.361 14.848 -1.876 1.00 0.00 C ATOM 0 H ALA A 35 10.974 16.912 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 35 10.357 14.136 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.815 13.964 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.340 14.736 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.947 15.729 -1.614 1.00 0.00 H new ATOM 499 N GLY A 36 11.228 13.964 0.817 1.00 0.00 N ATOM 500 CA GLY A 36 11.256 13.929 2.267 1.00 0.00 C ATOM 501 C GLY A 36 9.912 14.268 2.881 1.00 0.00 C ATOM 502 O GLY A 36 9.826 14.601 4.063 1.00 0.00 O ATOM 0 H GLY A 36 11.441 13.076 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.563 12.937 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.006 14.632 2.630 1.00 0.00 H new ATOM 506 N THR A 37 8.857 14.185 2.075 1.00 0.00 N ATOM 507 CA THR A 37 7.511 14.489 2.545 1.00 0.00 C ATOM 508 C THR A 37 6.802 13.230 3.031 1.00 0.00 C ATOM 509 O THR A 37 6.561 12.292 2.272 1.00 0.00 O ATOM 510 CB THR A 37 6.665 15.146 1.438 1.00 0.00 C ATOM 511 OG1 THR A 37 7.507 15.904 0.563 1.00 0.00 O ATOM 512 CG2 THR A 37 5.601 16.053 2.037 1.00 0.00 C ATOM 0 H THR A 37 8.909 13.910 1.094 1.00 0.00 H new ATOM 0 HA THR A 37 7.616 15.188 3.375 1.00 0.00 H new ATOM 0 HB THR A 37 6.171 14.356 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.915 15.306 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.016 16.506 1.236 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.944 15.468 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.080 16.837 2.624 1.00 0.00 H new ATOM 520 N PRO A 38 6.458 13.208 4.327 1.00 0.00 N ATOM 521 CA PRO A 38 5.770 12.070 4.944 1.00 0.00 C ATOM 522 C PRO A 38 4.331 11.930 4.458 1.00 0.00 C ATOM 523 O PRO A 38 3.705 12.909 4.050 1.00 0.00 O ATOM 524 CB PRO A 38 5.800 12.403 6.437 1.00 0.00 C ATOM 525 CG PRO A 38 5.903 13.889 6.492 1.00 0.00 C ATOM 526 CD PRO A 38 6.714 14.292 5.291 1.00 0.00 C ATOM 0 HA PRO A 38 6.248 11.122 4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.900 12.050 6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.648 11.929 6.931 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.915 14.350 6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.384 14.213 7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.400 15.260 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.774 14.374 5.531 1.00 0.00 H new ATOM 534 N VAL A 39 3.811 10.708 4.506 1.00 0.00 N ATOM 535 CA VAL A 39 2.445 10.441 4.072 1.00 0.00 C ATOM 536 C VAL A 39 1.650 9.734 5.165 1.00 0.00 C ATOM 537 O VAL A 39 2.221 9.101 6.053 1.00 0.00 O ATOM 538 CB VAL A 39 2.419 9.580 2.796 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.640 8.113 3.136 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.107 9.771 2.050 1.00 0.00 C ATOM 0 H VAL A 39 4.315 9.887 4.841 1.00 0.00 H new ATOM 0 HA VAL A 39 1.986 11.407 3.859 1.00 0.00 H new ATOM 0 HB VAL A 39 3.231 9.904 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.618 7.520 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.608 7.994 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.852 7.773 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.107 9.155 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.277 9.476 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.996 10.819 1.772 1.00 0.00 H new ATOM 550 N HIS A 40 0.327 9.847 5.093 1.00 0.00 N ATOM 551 CA HIS A 40 -0.548 9.217 6.076 1.00 0.00 C ATOM 552 C HIS A 40 -1.508 8.241 5.402 1.00 0.00 C ATOM 553 O HIS A 40 -2.439 8.650 4.709 1.00 0.00 O ATOM 554 CB HIS A 40 -1.337 10.280 6.841 1.00 0.00 C ATOM 555 CG HIS A 40 -1.705 9.865 8.233 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.041 10.765 9.222 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.790 8.638 8.798 1.00 0.00 C ATOM 558 CE1 HIS A 40 -2.315 10.110 10.336 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.171 8.818 10.105 1.00 0.00 N ATOM 0 H HIS A 40 -0.162 10.368 4.365 1.00 0.00 H new ATOM 0 HA HIS A 40 0.074 8.661 6.777 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.747 11.196 6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.247 10.514 6.288 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.073 11.778 9.111 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.595 7.694 8.312 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.607 10.555 11.276 1.00 0.00 H new ATOM 568 N TRP A 41 -1.273 6.950 5.610 1.00 0.00 N ATOM 569 CA TRP A 41 -2.117 5.916 5.022 1.00 0.00 C ATOM 570 C TRP A 41 -3.320 5.624 5.912 1.00 0.00 C ATOM 571 O TRP A 41 -3.169 5.214 7.063 1.00 0.00 O ATOM 572 CB TRP A 41 -1.309 4.636 4.799 1.00 0.00 C ATOM 573 CG TRP A 41 -0.138 4.825 3.884 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.117 5.238 4.233 1.00 0.00 C ATOM 575 CD2 TRP A 41 -0.112 4.609 2.469 1.00 0.00 C ATOM 576 NE1 TRP A 41 1.920 5.292 3.119 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.190 4.910 2.025 1.00 0.00 C ATOM 578 CE3 TRP A 41 -1.062 4.189 1.534 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.563 4.805 0.688 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.690 4.085 0.207 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.613 4.391 -0.206 1.00 0.00 C ATOM 0 H TRP A 41 -0.506 6.595 6.181 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.480 6.281 4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.953 4.267 5.761 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.964 3.869 4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.431 5.485 5.236 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.901 5.571 3.109 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.069 3.950 1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.567 5.042 0.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.416 3.762 -0.524 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.873 4.298 -1.250 1.00 0.00 H new ATOM 592 N LEU A 42 -4.515 5.838 5.372 1.00 0.00 N ATOM 593 CA LEU A 42 -5.746 5.597 6.117 1.00 0.00 C ATOM 594 C LEU A 42 -6.547 4.460 5.492 1.00 0.00 C ATOM 595 O LEU A 42 -7.005 4.561 4.354 1.00 0.00 O ATOM 596 CB LEU A 42 -6.594 6.869 6.164 1.00 0.00 C ATOM 597 CG LEU A 42 -5.929 8.096 6.788 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.471 9.372 6.163 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.138 8.108 8.295 1.00 0.00 C ATOM 0 H LEU A 42 -4.658 6.178 4.421 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.476 5.310 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.893 7.121 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.507 6.653 6.720 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.858 8.045 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.986 10.235 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.269 9.367 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.547 9.430 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.658 8.988 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.205 8.135 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.701 7.209 8.730 1.00 0.00 H new ATOM 611 N LYS A 43 -6.716 3.378 6.245 1.00 0.00 N ATOM 612 CA LYS A 43 -7.466 2.222 5.767 1.00 0.00 C ATOM 613 C LYS A 43 -8.863 2.189 6.379 1.00 0.00 C ATOM 614 O LYS A 43 -9.023 1.924 7.571 1.00 0.00 O ATOM 615 CB LYS A 43 -6.719 0.929 6.104 1.00 0.00 C ATOM 616 CG LYS A 43 -6.995 -0.203 5.131 1.00 0.00 C ATOM 617 CD LYS A 43 -8.291 -0.923 5.465 1.00 0.00 C ATOM 618 CE LYS A 43 -8.235 -2.388 5.060 1.00 0.00 C ATOM 619 NZ LYS A 43 -7.640 -3.236 6.129 1.00 0.00 N ATOM 0 H LYS A 43 -6.344 3.278 7.189 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.565 2.306 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.648 1.131 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.997 0.610 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.049 0.193 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.168 -0.912 5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.485 -0.847 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.122 -0.435 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.241 -2.741 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.649 -2.490 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.619 -4.227 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.671 -2.915 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.214 -3.159 6.993 1.00 0.00 H new ATOM 633 N ASP A 44 -9.870 2.458 5.556 1.00 0.00 N ATOM 634 CA ASP A 44 -11.254 2.457 6.016 1.00 0.00 C ATOM 635 C ASP A 44 -11.452 3.459 7.149 1.00 0.00 C ATOM 636 O ASP A 44 -12.173 3.191 8.109 1.00 0.00 O ATOM 637 CB ASP A 44 -11.658 1.057 6.481 1.00 0.00 C ATOM 638 CG ASP A 44 -13.157 0.837 6.423 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.894 1.596 7.087 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.592 -0.093 5.714 1.00 0.00 O ATOM 0 H ASP A 44 -9.754 2.680 4.567 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.888 2.752 5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.160 0.313 5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.310 0.902 7.502 1.00 0.00 H new ATOM 645 N ARG A 45 -10.805 4.614 7.029 1.00 0.00 N ATOM 646 CA ARG A 45 -10.908 5.656 8.044 1.00 0.00 C ATOM 647 C ARG A 45 -10.195 5.238 9.326 1.00 0.00 C ATOM 648 O ARG A 45 -10.713 5.427 10.427 1.00 0.00 O ATOM 649 CB ARG A 45 -12.376 5.965 8.341 1.00 0.00 C ATOM 650 CG ARG A 45 -13.262 5.958 7.106 1.00 0.00 C ATOM 651 CD ARG A 45 -13.279 7.317 6.424 1.00 0.00 C ATOM 652 NE ARG A 45 -14.315 8.190 6.968 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.579 9.402 6.493 1.00 0.00 C ATOM 654 NH1 ARG A 45 -13.885 9.883 5.470 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.538 10.137 7.041 1.00 0.00 N ATOM 0 H ARG A 45 -10.204 4.852 6.240 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.426 6.554 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.755 5.233 9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.443 6.942 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.905 5.203 6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.277 5.678 7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.306 7.793 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.442 7.184 5.355 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.866 7.851 7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.146 9.322 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.090 10.814 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.074 9.772 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.739 11.068 6.675 1.00 0.00 H new ATOM 669 N LYS A 46 -9.005 4.667 9.176 1.00 0.00 N ATOM 670 CA LYS A 46 -8.219 4.222 10.321 1.00 0.00 C ATOM 671 C LYS A 46 -6.730 4.449 10.081 1.00 0.00 C ATOM 672 O LYS A 46 -6.160 3.926 9.124 1.00 0.00 O ATOM 673 CB LYS A 46 -8.482 2.741 10.601 1.00 0.00 C ATOM 674 CG LYS A 46 -9.949 2.415 10.823 1.00 0.00 C ATOM 675 CD LYS A 46 -10.413 2.844 12.204 1.00 0.00 C ATOM 676 CE LYS A 46 -11.793 2.291 12.526 1.00 0.00 C ATOM 677 NZ LYS A 46 -11.766 0.815 12.727 1.00 0.00 N ATOM 0 H LYS A 46 -8.563 4.501 8.272 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.522 4.809 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.110 2.150 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.914 2.440 11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.552 2.914 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.107 1.343 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.699 2.500 12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.434 3.932 12.260 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.177 2.773 13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.480 2.535 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.641 0.513 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.691 0.340 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.947 0.560 13.315 1.00 0.00 H new ATOM 691 N ALA A 47 -6.106 5.230 10.957 1.00 0.00 N ATOM 692 CA ALA A 47 -4.683 5.522 10.841 1.00 0.00 C ATOM 693 C ALA A 47 -3.852 4.246 10.927 1.00 0.00 C ATOM 694 O ALA A 47 -3.948 3.496 11.899 1.00 0.00 O ATOM 695 CB ALA A 47 -4.256 6.506 11.920 1.00 0.00 C ATOM 0 H ALA A 47 -6.564 5.672 11.754 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.509 5.973 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.191 6.715 11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.819 7.433 11.811 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.452 6.076 12.902 1.00 0.00 H new ATOM 701 N ILE A 48 -3.037 4.006 9.905 1.00 0.00 N ATOM 702 CA ILE A 48 -2.189 2.821 9.867 1.00 0.00 C ATOM 703 C ILE A 48 -0.851 3.080 10.552 1.00 0.00 C ATOM 704 O ILE A 48 -0.382 4.216 10.610 1.00 0.00 O ATOM 705 CB ILE A 48 -1.931 2.360 8.420 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.246 2.299 7.640 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.241 1.004 8.412 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.056 2.135 6.148 1.00 0.00 C ATOM 0 H ILE A 48 -2.946 4.616 9.093 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.722 2.034 10.401 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.275 3.083 7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.844 1.468 8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.813 3.211 7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.065 0.691 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.288 1.077 8.937 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.874 0.271 8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.029 2.099 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.485 2.978 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.516 1.209 5.950 1.00 0.00 H new ATOM 720 N ARG A 49 -0.242 2.017 11.068 1.00 0.00 N ATOM 721 CA ARG A 49 1.042 2.129 11.749 1.00 0.00 C ATOM 722 C ARG A 49 2.104 1.287 11.047 1.00 0.00 C ATOM 723 O ARG A 49 1.850 0.149 10.654 1.00 0.00 O ATOM 724 CB ARG A 49 0.910 1.689 13.208 1.00 0.00 C ATOM 725 CG ARG A 49 0.285 0.314 13.376 1.00 0.00 C ATOM 726 CD ARG A 49 0.173 -0.072 14.842 1.00 0.00 C ATOM 727 NE ARG A 49 0.104 -1.520 15.024 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.224 -2.102 16.171 1.00 0.00 C ATOM 729 NH1 ARG A 49 -0.512 -1.364 17.235 1.00 0.00 N ATOM 730 NH2 ARG A 49 -0.265 -3.425 16.258 1.00 0.00 N ATOM 0 H ARG A 49 -0.617 1.069 11.027 1.00 0.00 H new ATOM 0 HA ARG A 49 1.351 3.174 11.719 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.898 1.688 13.669 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.307 2.421 13.746 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.705 0.305 12.920 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.886 -0.427 12.849 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.031 0.321 15.387 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.716 0.390 15.271 1.00 0.00 H new ATOM 0 HE ARG A 49 0.320 -2.117 14.225 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.482 -0.346 17.173 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.764 -1.814 18.115 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.044 -3.997 15.443 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.517 -3.871 17.140 1.00 0.00 H new ATOM 744 N LYS A 50 3.296 1.855 10.894 1.00 0.00 N ATOM 745 CA LYS A 50 4.397 1.159 10.240 1.00 0.00 C ATOM 746 C LYS A 50 4.825 -0.062 11.049 1.00 0.00 C ATOM 747 O LYS A 50 5.403 0.068 12.128 1.00 0.00 O ATOM 748 CB LYS A 50 5.587 2.104 10.056 1.00 0.00 C ATOM 749 CG LYS A 50 6.782 1.453 9.380 1.00 0.00 C ATOM 750 CD LYS A 50 8.086 2.113 9.795 1.00 0.00 C ATOM 751 CE LYS A 50 8.376 3.349 8.958 1.00 0.00 C ATOM 752 NZ LYS A 50 8.882 2.994 7.603 1.00 0.00 N ATOM 0 H LYS A 50 3.524 2.796 11.215 1.00 0.00 H new ATOM 0 HA LYS A 50 4.052 0.823 9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.270 2.963 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.894 2.483 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.812 0.394 9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.669 1.518 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.036 2.389 10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.905 1.401 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.468 3.944 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.112 3.970 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.920 3.058 7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.592 2.023 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.487 3.653 6.902 1.00 0.00 H new ATOM 766 N SER A 51 4.537 -1.247 10.520 1.00 0.00 N ATOM 767 CA SER A 51 4.890 -2.491 11.194 1.00 0.00 C ATOM 768 C SER A 51 5.245 -3.576 10.181 1.00 0.00 C ATOM 769 O SER A 51 4.939 -3.456 8.995 1.00 0.00 O ATOM 770 CB SER A 51 3.734 -2.962 12.079 1.00 0.00 C ATOM 771 OG SER A 51 2.494 -2.839 11.405 1.00 0.00 O ATOM 0 H SER A 51 4.060 -1.372 9.627 1.00 0.00 H new ATOM 0 HA SER A 51 5.763 -2.302 11.819 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.893 -4.001 12.368 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.712 -2.375 12.997 1.00 0.00 H new ATOM 0 HG SER A 51 2.261 -1.891 11.318 1.00 0.00 H new ATOM 777 N GLN A 52 5.892 -4.634 10.659 1.00 0.00 N ATOM 778 CA GLN A 52 6.290 -5.739 9.796 1.00 0.00 C ATOM 779 C GLN A 52 5.239 -5.995 8.720 1.00 0.00 C ATOM 780 O GLN A 52 5.562 -6.426 7.613 1.00 0.00 O ATOM 781 CB GLN A 52 6.507 -7.007 10.623 1.00 0.00 C ATOM 782 CG GLN A 52 7.908 -7.123 11.202 1.00 0.00 C ATOM 783 CD GLN A 52 8.367 -5.847 11.879 1.00 0.00 C ATOM 784 OE1 GLN A 52 9.208 -5.118 11.352 1.00 0.00 O ATOM 785 NE2 GLN A 52 7.815 -5.569 13.055 1.00 0.00 N ATOM 0 H GLN A 52 6.151 -4.749 11.639 1.00 0.00 H new ATOM 0 HA GLN A 52 7.226 -5.467 9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.783 -7.028 11.438 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.308 -7.877 9.998 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.933 -7.941 11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.606 -7.378 10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.122 -6.201 13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.084 -4.723 13.558 1.00 0.00 H new ATOM 794 N LYS A 53 3.981 -5.725 9.052 1.00 0.00 N ATOM 795 CA LYS A 53 2.883 -5.924 8.114 1.00 0.00 C ATOM 796 C LYS A 53 2.772 -4.749 7.149 1.00 0.00 C ATOM 797 O LYS A 53 2.727 -4.934 5.932 1.00 0.00 O ATOM 798 CB LYS A 53 1.565 -6.102 8.872 1.00 0.00 C ATOM 799 CG LYS A 53 0.335 -6.000 7.985 1.00 0.00 C ATOM 800 CD LYS A 53 0.304 -7.108 6.946 1.00 0.00 C ATOM 801 CE LYS A 53 -0.385 -8.354 7.481 1.00 0.00 C ATOM 802 NZ LYS A 53 0.461 -9.073 8.474 1.00 0.00 N ATOM 0 H LYS A 53 3.697 -5.368 9.964 1.00 0.00 H new ATOM 0 HA LYS A 53 3.089 -6.826 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.568 -7.074 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.501 -5.347 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.564 -6.051 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.325 -5.031 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.216 -6.758 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.322 -7.355 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.331 -8.075 7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.621 -9.023 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.311 -10.098 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.463 -8.852 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.201 -8.771 9.435 1.00 0.00 H new ATOM 816 N TYR A 54 2.730 -3.540 7.698 1.00 0.00 N ATOM 817 CA TYR A 54 2.623 -2.334 6.885 1.00 0.00 C ATOM 818 C TYR A 54 3.943 -1.569 6.869 1.00 0.00 C ATOM 819 O TYR A 54 4.392 -1.063 7.898 1.00 0.00 O ATOM 820 CB TYR A 54 1.505 -1.434 7.413 1.00 0.00 C ATOM 821 CG TYR A 54 0.144 -2.092 7.407 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.475 -2.442 6.213 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.524 -2.365 8.594 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.719 -3.043 6.202 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.767 -2.966 8.593 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.361 -3.303 7.394 1.00 0.00 C ATOM 827 OH TYR A 54 -3.599 -3.902 7.388 1.00 0.00 O ATOM 0 H TYR A 54 2.768 -3.369 8.703 1.00 0.00 H new ATOM 0 HA TYR A 54 2.386 -2.635 5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.747 -1.128 8.431 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.464 -0.528 6.809 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.025 -2.241 5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.063 -2.102 9.535 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.186 -3.308 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.272 -3.171 9.526 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.912 -4.016 8.310 1.00 0.00 H new ATOM 837 N ASP A 55 4.559 -1.489 5.695 1.00 0.00 N ATOM 838 CA ASP A 55 5.827 -0.784 5.543 1.00 0.00 C ATOM 839 C ASP A 55 5.621 0.564 4.861 1.00 0.00 C ATOM 840 O ASP A 55 5.038 0.642 3.780 1.00 0.00 O ATOM 841 CB ASP A 55 6.812 -1.632 4.738 1.00 0.00 C ATOM 842 CG ASP A 55 7.255 -2.874 5.486 1.00 0.00 C ATOM 843 OD1 ASP A 55 7.154 -2.884 6.731 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.700 -3.836 4.827 1.00 0.00 O ATOM 0 H ASP A 55 4.201 -1.903 4.834 1.00 0.00 H new ATOM 0 HA ASP A 55 6.239 -0.608 6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.349 -1.925 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.686 -1.030 4.490 1.00 0.00 H new ATOM 849 N VAL A 56 6.101 1.625 5.502 1.00 0.00 N ATOM 850 CA VAL A 56 5.970 2.972 4.958 1.00 0.00 C ATOM 851 C VAL A 56 7.315 3.503 4.475 1.00 0.00 C ATOM 852 O VAL A 56 8.174 3.868 5.277 1.00 0.00 O ATOM 853 CB VAL A 56 5.390 3.945 6.001 1.00 0.00 C ATOM 854 CG1 VAL A 56 4.878 5.209 5.326 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.284 3.272 6.800 1.00 0.00 C ATOM 0 H VAL A 56 6.584 1.578 6.399 1.00 0.00 H new ATOM 0 HA VAL A 56 5.284 2.907 4.113 1.00 0.00 H new ATOM 0 HB VAL A 56 6.185 4.227 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.472 5.885 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.699 5.700 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.096 4.949 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.885 3.974 7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.487 2.959 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.686 2.400 7.315 1.00 0.00 H new ATOM 865 N VAL A 57 7.491 3.544 3.158 1.00 0.00 N ATOM 866 CA VAL A 57 8.731 4.032 2.567 1.00 0.00 C ATOM 867 C VAL A 57 8.526 5.389 1.902 1.00 0.00 C ATOM 868 O VAL A 57 7.530 5.609 1.212 1.00 0.00 O ATOM 869 CB VAL A 57 9.286 3.041 1.527 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.671 3.469 1.068 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.316 1.632 2.099 1.00 0.00 C ATOM 0 H VAL A 57 6.790 3.245 2.480 1.00 0.00 H new ATOM 0 HA VAL A 57 9.450 4.134 3.380 1.00 0.00 H new ATOM 0 HB VAL A 57 8.626 3.043 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.047 2.757 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.615 4.460 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.345 3.498 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.711 0.944 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.953 1.612 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.305 1.329 2.373 1.00 0.00 H new ATOM 881 N CYS A 58 9.474 6.294 2.113 1.00 0.00 N ATOM 882 CA CYS A 58 9.398 7.631 1.533 1.00 0.00 C ATOM 883 C CYS A 58 10.788 8.152 1.183 1.00 0.00 C ATOM 884 O CYS A 58 11.572 8.497 2.066 1.00 0.00 O ATOM 885 CB CYS A 58 8.710 8.591 2.504 1.00 0.00 C ATOM 886 SG CYS A 58 8.412 10.240 1.824 1.00 0.00 S ATOM 0 H CYS A 58 10.305 6.127 2.681 1.00 0.00 H new ATOM 0 HA CYS A 58 8.812 7.570 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.758 8.159 2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.322 8.685 3.401 1.00 0.00 H new ATOM 0 HG CYS A 58 7.497 10.840 2.526 1.00 0.00 H new ATOM 892 N GLU A 59 11.086 8.204 -0.111 1.00 0.00 N ATOM 893 CA GLU A 59 12.383 8.680 -0.577 1.00 0.00 C ATOM 894 C GLU A 59 12.282 9.233 -1.996 1.00 0.00 C ATOM 895 O GLU A 59 11.377 8.877 -2.749 1.00 0.00 O ATOM 896 CB GLU A 59 13.414 7.550 -0.530 1.00 0.00 C ATOM 897 CG GLU A 59 14.106 7.412 0.815 1.00 0.00 C ATOM 898 CD GLU A 59 15.387 6.605 0.733 1.00 0.00 C ATOM 899 OE1 GLU A 59 15.364 5.516 0.123 1.00 0.00 O ATOM 900 OE2 GLU A 59 16.412 7.064 1.278 1.00 0.00 O ATOM 0 H GLU A 59 10.447 7.923 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 59 12.705 9.483 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.920 6.609 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.166 7.724 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.331 8.404 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.426 6.936 1.522 1.00 0.00 H new ATOM 907 N GLY A 60 13.220 10.106 -2.353 1.00 0.00 N ATOM 908 CA GLY A 60 13.218 10.694 -3.679 1.00 0.00 C ATOM 909 C GLY A 60 11.817 10.951 -4.199 1.00 0.00 C ATOM 910 O GLY A 60 11.418 10.403 -5.227 1.00 0.00 O ATOM 0 H GLY A 60 13.980 10.416 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.772 11.633 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.742 10.031 -4.368 1.00 0.00 H new ATOM 914 N THR A 61 11.067 11.785 -3.486 1.00 0.00 N ATOM 915 CA THR A 61 9.702 12.111 -3.879 1.00 0.00 C ATOM 916 C THR A 61 8.942 10.863 -4.314 1.00 0.00 C ATOM 917 O THR A 61 8.192 10.890 -5.289 1.00 0.00 O ATOM 918 CB THR A 61 9.677 13.139 -5.026 1.00 0.00 C ATOM 919 OG1 THR A 61 10.140 12.532 -6.238 1.00 0.00 O ATOM 920 CG2 THR A 61 10.545 14.343 -4.692 1.00 0.00 C ATOM 0 H THR A 61 11.382 12.247 -2.633 1.00 0.00 H new ATOM 0 HA THR A 61 9.216 12.543 -3.004 1.00 0.00 H new ATOM 0 HB THR A 61 8.649 13.477 -5.159 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.500 11.642 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.512 15.055 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.173 14.820 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.573 14.018 -4.535 1.00 0.00 H new ATOM 928 N MET A 62 9.142 9.770 -3.584 1.00 0.00 N ATOM 929 CA MET A 62 8.473 8.512 -3.895 1.00 0.00 C ATOM 930 C MET A 62 8.042 7.796 -2.619 1.00 0.00 C ATOM 931 O MET A 62 8.873 7.445 -1.782 1.00 0.00 O ATOM 932 CB MET A 62 9.397 7.608 -4.714 1.00 0.00 C ATOM 933 CG MET A 62 9.054 6.131 -4.604 1.00 0.00 C ATOM 934 SD MET A 62 9.928 5.314 -3.254 1.00 0.00 S ATOM 935 CE MET A 62 8.560 4.576 -2.364 1.00 0.00 C ATOM 0 H MET A 62 9.761 9.730 -2.774 1.00 0.00 H new ATOM 0 HA MET A 62 7.583 8.737 -4.482 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.350 7.907 -5.761 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.425 7.760 -4.385 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.980 6.021 -4.455 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.298 5.634 -5.543 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.402 5.113 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.657 4.633 -2.972 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.787 3.532 -2.149 1.00 0.00 H new ATOM 945 N ALA A 63 6.738 7.583 -2.477 1.00 0.00 N ATOM 946 CA ALA A 63 6.198 6.908 -1.304 1.00 0.00 C ATOM 947 C ALA A 63 5.550 5.580 -1.684 1.00 0.00 C ATOM 948 O ALA A 63 4.715 5.522 -2.586 1.00 0.00 O ATOM 949 CB ALA A 63 5.192 7.803 -0.595 1.00 0.00 C ATOM 0 H ALA A 63 6.036 7.868 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 63 7.024 6.699 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.797 7.285 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.683 8.724 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.374 8.042 -1.275 1.00 0.00 H new ATOM 955 N MET A 64 5.942 4.516 -0.991 1.00 0.00 N ATOM 956 CA MET A 64 5.398 3.189 -1.256 1.00 0.00 C ATOM 957 C MET A 64 4.856 2.558 0.022 1.00 0.00 C ATOM 958 O MET A 64 5.224 2.957 1.128 1.00 0.00 O ATOM 959 CB MET A 64 6.473 2.288 -1.868 1.00 0.00 C ATOM 960 CG MET A 64 5.948 0.932 -2.311 1.00 0.00 C ATOM 961 SD MET A 64 7.208 -0.068 -3.126 1.00 0.00 S ATOM 962 CE MET A 64 8.342 -0.356 -1.770 1.00 0.00 C ATOM 0 H MET A 64 6.634 4.547 -0.242 1.00 0.00 H new ATOM 0 HA MET A 64 4.576 3.295 -1.964 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.916 2.795 -2.725 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.270 2.140 -1.139 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.567 0.393 -1.444 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.108 1.076 -2.991 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.024 -1.165 -2.032 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.913 0.551 -1.575 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.780 -0.630 -0.877 1.00 0.00 H new ATOM 972 N LEU A 65 3.980 1.572 -0.136 1.00 0.00 N ATOM 973 CA LEU A 65 3.386 0.885 1.006 1.00 0.00 C ATOM 974 C LEU A 65 3.277 -0.613 0.744 1.00 0.00 C ATOM 975 O LEU A 65 2.609 -1.043 -0.197 1.00 0.00 O ATOM 976 CB LEU A 65 2.003 1.463 1.311 1.00 0.00 C ATOM 977 CG LEU A 65 1.226 0.785 2.440 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.677 1.316 3.792 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.270 0.990 2.256 1.00 0.00 C ATOM 0 H LEU A 65 3.665 1.230 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 65 4.035 1.038 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.119 2.518 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.402 1.413 0.403 1.00 0.00 H new ATOM 0 HG LEU A 65 1.432 -0.285 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.113 0.822 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.740 1.116 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.501 2.391 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.807 0.501 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.495 2.057 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.582 0.560 1.304 1.00 0.00 H new ATOM 991 N VAL A 66 3.936 -1.405 1.583 1.00 0.00 N ATOM 992 CA VAL A 66 3.910 -2.857 1.444 1.00 0.00 C ATOM 993 C VAL A 66 2.925 -3.485 2.423 1.00 0.00 C ATOM 994 O VAL A 66 3.002 -3.255 3.631 1.00 0.00 O ATOM 995 CB VAL A 66 5.306 -3.467 1.674 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.332 -4.922 1.232 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.367 -2.660 0.943 1.00 0.00 C ATOM 0 H VAL A 66 4.495 -1.066 2.366 1.00 0.00 H new ATOM 0 HA VAL A 66 3.591 -3.072 0.424 1.00 0.00 H new ATOM 0 HB VAL A 66 5.527 -3.432 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.326 -5.336 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.599 -5.490 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.089 -4.984 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.347 -3.105 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.152 -2.661 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.364 -1.635 1.313 1.00 0.00 H new ATOM 1007 N ILE A 67 2.000 -4.279 1.895 1.00 0.00 N ATOM 1008 CA ILE A 67 1.000 -4.942 2.723 1.00 0.00 C ATOM 1009 C ILE A 67 1.248 -6.445 2.786 1.00 0.00 C ATOM 1010 O ILE A 67 0.555 -7.227 2.133 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.425 -4.689 2.196 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.723 -3.189 2.168 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.445 -5.422 3.054 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.701 -2.788 1.086 1.00 0.00 C ATOM 0 H ILE A 67 1.922 -4.479 0.898 1.00 0.00 H new ATOM 0 HA ILE A 67 1.088 -4.519 3.724 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.494 -5.073 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.122 -2.888 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.210 -2.644 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.447 -5.233 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.241 -6.492 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.378 -5.066 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.865 -1.711 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.296 -3.058 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.648 -3.305 1.241 1.00 0.00 H new ATOM 1026 N ARG A 68 2.238 -6.844 3.577 1.00 0.00 N ATOM 1027 CA ARG A 68 2.577 -8.254 3.727 1.00 0.00 C ATOM 1028 C ARG A 68 1.320 -9.097 3.920 1.00 0.00 C ATOM 1029 O ARG A 68 0.447 -8.755 4.717 1.00 0.00 O ATOM 1030 CB ARG A 68 3.524 -8.450 4.912 1.00 0.00 C ATOM 1031 CG ARG A 68 4.993 -8.309 4.548 1.00 0.00 C ATOM 1032 CD ARG A 68 5.506 -9.538 3.815 1.00 0.00 C ATOM 1033 NE ARG A 68 5.932 -10.587 4.737 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.064 -10.540 5.432 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.878 -9.501 5.309 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.382 -11.534 6.251 1.00 0.00 N ATOM 0 H ARG A 68 2.820 -6.210 4.125 1.00 0.00 H new ATOM 0 HA ARG A 68 3.076 -8.581 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.279 -7.723 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.358 -9.439 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.131 -7.427 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.580 -8.153 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.723 -9.925 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.342 -9.256 3.176 1.00 0.00 H new ATOM 0 HE ARG A 68 5.328 -11.400 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.636 -8.735 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.746 -9.467 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.758 -12.335 6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.251 -11.497 6.784 1.00 0.00 H new ATOM 1050 N GLY A 69 1.236 -10.202 3.186 1.00 0.00 N ATOM 1051 CA GLY A 69 0.083 -11.077 3.291 1.00 0.00 C ATOM 1052 C GLY A 69 -1.228 -10.321 3.202 1.00 0.00 C ATOM 1053 O GLY A 69 -1.849 -10.020 4.221 1.00 0.00 O ATOM 0 H GLY A 69 1.946 -10.507 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.123 -11.823 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.125 -11.616 4.238 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.650 -10.012 1.980 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.895 -9.287 1.763 1.00 0.00 C ATOM 1059 C ALA A 70 -4.061 -10.248 1.555 1.00 0.00 C ATOM 1060 O ALA A 70 -4.238 -10.799 0.469 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.761 -8.353 0.570 1.00 0.00 C ATOM 0 H ALA A 70 -1.148 -10.253 1.126 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.101 -8.694 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.699 -7.818 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.961 -7.637 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.528 -8.934 -0.322 1.00 0.00 H new ATOM 1067 N SER A 71 -4.853 -10.445 2.604 1.00 0.00 N ATOM 1068 CA SER A 71 -6.000 -11.344 2.538 1.00 0.00 C ATOM 1069 C SER A 71 -7.254 -10.593 2.100 1.00 0.00 C ATOM 1070 O SER A 71 -7.230 -9.375 1.914 1.00 0.00 O ATOM 1071 CB SER A 71 -6.236 -12.004 3.898 1.00 0.00 C ATOM 1072 OG SER A 71 -5.115 -12.776 4.291 1.00 0.00 O ATOM 0 H SER A 71 -4.722 -9.994 3.510 1.00 0.00 H new ATOM 0 HA SER A 71 -5.783 -12.116 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.435 -11.238 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.120 -12.640 3.849 1.00 0.00 H new ATOM 0 HG SER A 71 -5.290 -13.186 5.164 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.348 -11.327 1.936 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.614 -10.733 1.520 1.00 0.00 C ATOM 1080 C LEU A 72 -9.959 -9.525 2.386 1.00 0.00 C ATOM 1081 O LEU A 72 -10.605 -8.583 1.927 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.737 -11.769 1.597 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.476 -13.096 0.884 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.406 -14.177 1.412 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.643 -12.934 -0.620 1.00 0.00 C ATOM 0 H LEU A 72 -8.385 -12.335 2.085 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.508 -10.399 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.940 -11.978 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.641 -11.327 1.179 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.449 -13.399 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.206 -15.114 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.238 -14.311 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.441 -13.882 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.454 -13.888 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.659 -12.608 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.936 -12.190 -0.987 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.523 -9.559 3.640 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.782 -8.467 4.570 1.00 0.00 C ATOM 1099 C LYS A 73 -8.989 -7.223 4.183 1.00 0.00 C ATOM 1100 O LYS A 73 -9.528 -6.116 4.153 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.423 -8.889 5.997 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.226 -8.167 7.065 1.00 0.00 C ATOM 1103 CD LYS A 73 -11.665 -8.654 7.106 1.00 0.00 C ATOM 1104 CE LYS A 73 -12.345 -8.274 8.412 1.00 0.00 C ATOM 1105 NZ LYS A 73 -13.695 -8.891 8.535 1.00 0.00 N ATOM 0 H LYS A 73 -8.988 -10.332 4.036 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.845 -8.228 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.580 -9.963 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.362 -8.705 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.761 -8.322 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.209 -7.095 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.218 -8.228 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.687 -9.737 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.724 -8.590 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.435 -7.189 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.125 -8.608 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.296 -8.570 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.608 -9.927 8.503 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.708 -7.411 3.886 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.842 -6.304 3.498 1.00 0.00 C ATOM 1121 C ASP A 74 -7.550 -5.381 2.511 1.00 0.00 C ATOM 1122 O ASP A 74 -7.387 -4.162 2.560 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.547 -6.834 2.880 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.617 -7.437 3.915 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -5.040 -8.382 4.614 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.466 -6.966 4.024 1.00 0.00 O ATOM 0 H ASP A 74 -7.246 -8.320 3.907 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.601 -5.732 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.787 -7.587 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.035 -6.022 2.364 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.335 -5.971 1.615 1.00 0.00 N ATOM 1132 CA ALA A 75 -9.068 -5.201 0.618 1.00 0.00 C ATOM 1133 C ALA A 75 -9.800 -4.027 1.259 1.00 0.00 C ATOM 1134 O ALA A 75 -10.629 -4.212 2.149 1.00 0.00 O ATOM 1135 CB ALA A 75 -10.050 -6.097 -0.123 1.00 0.00 C ATOM 0 H ALA A 75 -8.479 -6.979 1.559 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.349 -4.800 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.591 -5.509 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.506 -6.899 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.758 -6.526 0.586 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.488 -2.819 0.800 1.00 0.00 N ATOM 1142 CA GLY A 76 -10.125 -1.633 1.342 1.00 0.00 C ATOM 1143 C GLY A 76 -9.685 -0.365 0.637 1.00 0.00 C ATOM 1144 O GLY A 76 -9.043 -0.422 -0.412 1.00 0.00 O ATOM 0 H GLY A 76 -8.806 -2.640 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.207 -1.735 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.894 -1.553 2.404 1.00 0.00 H new ATOM 1148 N GLU A 77 -10.032 0.782 1.212 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.670 2.068 0.630 1.00 0.00 C ATOM 1150 C GLU A 77 -8.458 2.665 1.339 1.00 0.00 C ATOM 1151 O GLU A 77 -8.429 2.762 2.566 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.850 3.039 0.709 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.885 4.049 -0.426 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.760 5.247 -0.114 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -11.870 5.607 1.077 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.336 5.824 -1.060 1.00 0.00 O ATOM 0 H GLU A 77 -10.563 0.846 2.080 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.413 1.904 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.779 2.469 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.807 3.573 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.871 4.389 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.251 3.562 -1.330 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.460 3.062 0.559 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.244 3.647 1.111 1.00 0.00 C ATOM 1165 C TYR A 78 -6.148 5.131 0.769 1.00 0.00 C ATOM 1166 O TYR A 78 -5.806 5.501 -0.354 1.00 0.00 O ATOM 1167 CB TYR A 78 -5.012 2.910 0.582 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.767 1.578 1.256 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.049 1.500 2.443 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.253 0.399 0.705 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -3.822 0.286 3.062 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.032 -0.819 1.318 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.316 -0.871 2.495 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.093 -2.082 3.108 1.00 0.00 O ATOM 0 H TYR A 78 -7.469 2.990 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.283 3.545 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.127 2.749 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.135 3.543 0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.662 2.404 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.813 0.435 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.261 0.243 3.984 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.418 -1.726 0.877 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.508 -2.797 2.581 1.00 0.00 H new ATOM 1184 N THR A 79 -6.452 5.978 1.748 1.00 0.00 N ATOM 1185 CA THR A 79 -6.401 7.421 1.553 1.00 0.00 C ATOM 1186 C THR A 79 -5.052 7.987 1.979 1.00 0.00 C ATOM 1187 O THR A 79 -4.718 7.994 3.165 1.00 0.00 O ATOM 1188 CB THR A 79 -7.516 8.134 2.342 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.798 7.657 1.917 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.440 9.640 2.145 1.00 0.00 C ATOM 0 H THR A 79 -6.736 5.689 2.684 1.00 0.00 H new ATOM 0 HA THR A 79 -6.547 7.601 0.488 1.00 0.00 H new ATOM 0 HB THR A 79 -7.379 7.914 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.501 8.113 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.237 10.122 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.474 10.004 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.554 9.875 1.087 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.280 8.460 1.007 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.965 9.028 1.283 1.00 0.00 C ATOM 1200 C CYS A 80 -3.075 10.507 1.636 1.00 0.00 C ATOM 1201 O CYS A 80 -3.125 11.363 0.754 1.00 0.00 O ATOM 1202 CB CYS A 80 -2.045 8.847 0.074 1.00 0.00 C ATOM 1203 SG CYS A 80 -1.050 7.338 0.123 1.00 0.00 S ATOM 0 H CYS A 80 -4.542 8.462 0.021 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.540 8.500 2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.651 8.841 -0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.379 9.707 0.006 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.643 6.451 0.865 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.114 10.799 2.932 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.221 12.176 3.402 1.00 0.00 C ATOM 1211 C GLU A 81 -1.846 12.832 3.480 1.00 0.00 C ATOM 1212 O GLU A 81 -0.946 12.336 4.159 1.00 0.00 O ATOM 1213 CB GLU A 81 -3.898 12.219 4.773 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.676 13.500 5.028 1.00 0.00 C ATOM 1215 CD GLU A 81 -4.729 13.867 6.498 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -3.812 13.463 7.244 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.687 14.558 6.903 1.00 0.00 O ATOM 0 H GLU A 81 -3.073 10.101 3.675 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.829 12.731 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.575 11.369 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.139 12.104 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.218 14.316 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.692 13.386 4.649 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.690 13.952 2.781 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.426 14.678 2.771 1.00 0.00 C ATOM 1226 C VAL A 82 -0.606 16.104 3.280 1.00 0.00 C ATOM 1227 O VAL A 82 -1.691 16.482 3.722 1.00 0.00 O ATOM 1228 CB VAL A 82 0.185 14.722 1.358 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.295 15.955 0.607 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.704 14.692 1.433 1.00 0.00 C ATOM 0 H VAL A 82 -2.424 14.376 2.214 1.00 0.00 H new ATOM 0 HA VAL A 82 0.252 14.142 3.435 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.146 13.840 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.147 15.969 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.381 15.929 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.005 16.851 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.119 14.724 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.057 15.554 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.026 13.776 1.929 1.00 0.00 H new ATOM 1240 N GLU A 83 0.463 16.890 3.213 1.00 0.00 N ATOM 1241 CA GLU A 83 0.422 18.275 3.668 1.00 0.00 C ATOM 1242 C GLU A 83 -0.961 18.880 3.445 1.00 0.00 C ATOM 1243 O GLU A 83 -1.716 19.095 4.393 1.00 0.00 O ATOM 1244 CB GLU A 83 1.478 19.107 2.937 1.00 0.00 C ATOM 1245 CG GLU A 83 2.612 18.277 2.357 1.00 0.00 C ATOM 1246 CD GLU A 83 3.312 17.433 3.404 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.877 18.014 4.354 1.00 0.00 O ATOM 1248 OE2 GLU A 83 3.294 16.191 3.273 1.00 0.00 O ATOM 0 H GLU A 83 1.368 16.592 2.848 1.00 0.00 H new ATOM 0 HA GLU A 83 0.637 18.286 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.997 19.663 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.893 19.841 3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.219 17.627 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.338 18.940 1.885 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.286 19.152 2.185 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.577 19.730 1.837 1.00 0.00 C ATOM 1257 C ALA A 84 -3.314 18.859 0.825 1.00 0.00 C ATOM 1258 O ALA A 84 -4.542 18.888 0.744 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.395 21.139 1.291 1.00 0.00 C ATOM 0 H ALA A 84 -0.672 18.981 1.389 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.181 19.779 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.368 21.559 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.918 21.763 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.768 21.106 0.400 1.00 0.00 H new ATOM 1265 N SER A 85 -2.555 18.087 0.053 1.00 0.00 N ATOM 1266 CA SER A 85 -3.136 17.211 -0.958 1.00 0.00 C ATOM 1267 C SER A 85 -3.681 15.935 -0.323 1.00 0.00 C ATOM 1268 O SER A 85 -3.519 15.706 0.876 1.00 0.00 O ATOM 1269 CB SER A 85 -2.092 16.860 -2.020 1.00 0.00 C ATOM 1270 OG SER A 85 -2.695 16.693 -3.291 1.00 0.00 O ATOM 0 H SER A 85 -1.537 18.050 0.108 1.00 0.00 H new ATOM 0 HA SER A 85 -3.962 17.742 -1.432 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.341 17.648 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.574 15.944 -1.736 1.00 0.00 H new ATOM 0 HG SER A 85 -2.526 15.784 -3.617 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.328 15.107 -1.136 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.897 13.853 -0.657 1.00 0.00 C ATOM 1278 C LYS A 86 -5.220 12.922 -1.821 1.00 0.00 C ATOM 1279 O LYS A 86 -5.619 13.371 -2.895 1.00 0.00 O ATOM 1280 CB LYS A 86 -6.162 14.122 0.161 1.00 0.00 C ATOM 1281 CG LYS A 86 -5.882 14.574 1.584 1.00 0.00 C ATOM 1282 CD LYS A 86 -6.954 14.088 2.545 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.348 14.444 2.050 1.00 0.00 C ATOM 1284 NZ LYS A 86 -8.636 15.897 2.203 1.00 0.00 N ATOM 0 H LYS A 86 -4.471 15.282 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.157 13.367 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.755 14.885 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.766 13.215 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.910 14.197 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.829 15.662 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.874 13.008 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.791 14.531 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.444 14.163 1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.089 13.867 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.595 16.099 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.570 16.160 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.945 16.448 1.654 1.00 0.00 H new ATOM 1298 N SER A 87 -5.046 11.623 -1.600 1.00 0.00 N ATOM 1299 CA SER A 87 -5.317 10.629 -2.632 1.00 0.00 C ATOM 1300 C SER A 87 -6.133 9.469 -2.069 1.00 0.00 C ATOM 1301 O SER A 87 -6.275 9.326 -0.854 1.00 0.00 O ATOM 1302 CB SER A 87 -4.006 10.106 -3.223 1.00 0.00 C ATOM 1303 OG SER A 87 -4.244 9.330 -4.385 1.00 0.00 O ATOM 0 H SER A 87 -4.719 11.234 -0.716 1.00 0.00 H new ATOM 0 HA SER A 87 -5.897 11.109 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.354 10.944 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.483 9.503 -2.480 1.00 0.00 H new ATOM 0 HG SER A 87 -4.051 8.388 -4.195 1.00 0.00 H new ATOM 1309 N THR A 88 -6.668 8.642 -2.961 1.00 0.00 N ATOM 1310 CA THR A 88 -7.471 7.495 -2.555 1.00 0.00 C ATOM 1311 C THR A 88 -7.417 6.388 -3.602 1.00 0.00 C ATOM 1312 O THR A 88 -7.150 6.643 -4.776 1.00 0.00 O ATOM 1313 CB THR A 88 -8.941 7.893 -2.321 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.005 9.128 -1.599 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.678 6.809 -1.550 1.00 0.00 C ATOM 0 H THR A 88 -6.560 8.745 -3.970 1.00 0.00 H new ATOM 0 HA THR A 88 -7.048 7.128 -1.620 1.00 0.00 H new ATOM 0 HB THR A 88 -9.421 8.016 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.942 9.375 -1.456 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.714 7.112 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.652 5.878 -2.117 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.197 6.659 -0.584 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.672 5.158 -3.168 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.655 4.012 -4.069 1.00 0.00 C ATOM 1325 C ALA A 89 -8.412 2.831 -3.470 1.00 0.00 C ATOM 1326 O ALA A 89 -8.765 2.842 -2.291 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.221 3.614 -4.389 1.00 0.00 C ATOM 0 H ALA A 89 -7.893 4.930 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.156 4.300 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.223 2.757 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.709 4.450 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.702 3.350 -3.467 1.00 0.00 H new ATOM 1333 N SER A 90 -8.659 1.815 -4.290 1.00 0.00 N ATOM 1334 CA SER A 90 -9.378 0.629 -3.842 1.00 0.00 C ATOM 1335 C SER A 90 -8.586 -0.637 -4.152 1.00 0.00 C ATOM 1336 O SER A 90 -8.277 -0.922 -5.310 1.00 0.00 O ATOM 1337 CB SER A 90 -10.754 0.559 -4.508 1.00 0.00 C ATOM 1338 OG SER A 90 -11.633 1.529 -3.966 1.00 0.00 O ATOM 0 H SER A 90 -8.372 1.790 -5.268 1.00 0.00 H new ATOM 0 HA SER A 90 -9.508 0.700 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.650 0.717 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.177 -0.436 -4.372 1.00 0.00 H new ATOM 0 HG SER A 90 -12.505 1.465 -4.409 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.259 -1.394 -3.110 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.502 -2.630 -3.269 1.00 0.00 C ATOM 1346 C LEU A 91 -8.437 -3.822 -3.450 1.00 0.00 C ATOM 1347 O LEU A 91 -9.477 -3.913 -2.796 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.597 -2.857 -2.057 1.00 0.00 C ATOM 1349 CG LEU A 91 -5.981 -4.251 -1.931 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.077 -4.545 -3.118 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.209 -4.376 -0.626 1.00 0.00 C ATOM 0 H LEU A 91 -8.507 -1.173 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.885 -2.536 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.789 -2.126 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.174 -2.654 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.787 -4.985 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.648 -5.541 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.659 -4.498 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.276 -3.807 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.777 -5.374 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.412 -3.633 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.884 -4.210 0.213 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.060 -4.734 -4.340 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.863 -5.923 -4.604 1.00 0.00 C ATOM 1365 C HIS A 92 -8.091 -7.190 -4.252 1.00 0.00 C ATOM 1366 O HIS A 92 -6.866 -7.236 -4.367 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.287 -5.961 -6.073 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.081 -4.765 -6.499 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.399 -4.572 -6.143 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.736 -3.696 -7.254 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.831 -3.436 -6.662 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.841 -2.885 -7.341 1.00 0.00 N ATOM 0 H HIS A 92 -7.204 -4.673 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.754 -5.876 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.397 -6.037 -6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.877 -6.860 -6.249 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.771 -3.514 -7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.825 -3.028 -6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.889 -2.001 -7.848 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.815 -8.218 -3.821 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.198 -9.487 -3.452 1.00 0.00 C ATOM 1383 C VAL A 93 -9.155 -10.651 -3.683 1.00 0.00 C ATOM 1384 O VAL A 93 -10.180 -10.767 -3.012 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.755 -9.487 -1.977 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.298 -10.876 -1.556 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.652 -8.464 -1.753 1.00 0.00 C ATOM 0 H VAL A 93 -9.830 -8.197 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.321 -9.609 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.609 -9.209 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.989 -10.856 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.120 -11.582 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.458 -11.186 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.351 -8.477 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.795 -8.710 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.019 -7.471 -2.013 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.812 -11.511 -4.638 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.642 -12.666 -4.958 1.00 0.00 C ATOM 1399 C GLU A 94 -8.808 -13.944 -4.986 1.00 0.00 C ATOM 1400 O GLU A 94 -7.718 -13.973 -5.557 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.335 -12.467 -6.307 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.292 -11.287 -6.332 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.647 -11.623 -5.738 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -13.531 -12.075 -6.495 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -12.822 -11.434 -4.516 1.00 0.00 O ATOM 0 H GLU A 94 -7.966 -11.429 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.399 -12.763 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.577 -12.326 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.883 -13.374 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.853 -10.456 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.423 -10.952 -7.361 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.328 -14.997 -4.364 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.631 -16.277 -4.316 1.00 0.00 C ATOM 1414 C GLU A 95 -8.469 -16.861 -5.717 1.00 0.00 C ATOM 1415 O GLU A 95 -9.196 -16.497 -6.642 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.388 -17.263 -3.425 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.548 -18.447 -2.976 1.00 0.00 C ATOM 1418 CD GLU A 95 -9.360 -19.490 -2.232 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.948 -20.369 -2.894 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -9.406 -19.425 -0.985 1.00 0.00 O ATOM 0 H GLU A 95 -10.229 -14.989 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.640 -16.106 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.757 -16.735 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.261 -17.631 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.082 -18.908 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.742 -18.093 -2.333 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.510 -17.769 -5.866 1.00 0.00 N ATOM 1428 CA LYS A 96 -7.252 -18.405 -7.152 1.00 0.00 C ATOM 1429 C LYS A 96 -7.219 -19.923 -7.011 1.00 0.00 C ATOM 1430 O LYS A 96 -7.346 -20.457 -5.910 1.00 0.00 O ATOM 1431 CB LYS A 96 -5.927 -17.907 -7.734 1.00 0.00 C ATOM 1432 CG LYS A 96 -6.068 -16.657 -8.585 1.00 0.00 C ATOM 1433 CD LYS A 96 -4.839 -16.429 -9.450 1.00 0.00 C ATOM 1434 CE LYS A 96 -4.964 -17.132 -10.793 1.00 0.00 C ATOM 1435 NZ LYS A 96 -5.857 -16.389 -11.726 1.00 0.00 N ATOM 0 H LYS A 96 -6.899 -18.081 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.063 -18.138 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.235 -17.704 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.484 -18.699 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.949 -16.746 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.225 -15.793 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.698 -15.360 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.953 -16.793 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.976 -17.237 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.354 -18.139 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.283 -17.054 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.609 -15.917 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.303 -15.676 -12.243 1.00 0.00 H new ATOM 1449 N ALA A 97 -7.045 -20.614 -8.134 1.00 0.00 N ATOM 1450 CA ALA A 97 -6.992 -22.070 -8.134 1.00 0.00 C ATOM 1451 C ALA A 97 -5.797 -22.576 -7.332 1.00 0.00 C ATOM 1452 O ALA A 97 -4.875 -21.819 -7.031 1.00 0.00 O ATOM 1453 CB ALA A 97 -6.932 -22.596 -9.561 1.00 0.00 C ATOM 0 H ALA A 97 -6.938 -20.188 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.900 -22.442 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.893 -23.685 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.819 -22.272 -10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.041 -22.208 -10.055 1.00 0.00 H new ATOM 1459 N SER A 98 -5.821 -23.860 -6.989 1.00 0.00 N ATOM 1460 CA SER A 98 -4.742 -24.465 -6.217 1.00 0.00 C ATOM 1461 C SER A 98 -4.630 -25.957 -6.518 1.00 0.00 C ATOM 1462 O SER A 98 -5.494 -26.535 -7.175 1.00 0.00 O ATOM 1463 CB SER A 98 -4.974 -24.250 -4.721 1.00 0.00 C ATOM 1464 OG SER A 98 -3.751 -24.276 -4.006 1.00 0.00 O ATOM 0 H SER A 98 -6.576 -24.501 -7.233 1.00 0.00 H new ATOM 0 HA SER A 98 -3.808 -23.983 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.472 -23.294 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.639 -25.024 -4.338 1.00 0.00 H new ATOM 0 HG SER A 98 -3.927 -24.134 -3.052 1.00 0.00 H new ATOM 1470 N GLY A 99 -3.558 -26.573 -6.030 1.00 0.00 N ATOM 1471 CA GLY A 99 -3.351 -27.992 -6.256 1.00 0.00 C ATOM 1472 C GLY A 99 -4.201 -28.854 -5.344 1.00 0.00 C ATOM 1473 O GLY A 99 -5.005 -28.356 -4.556 1.00 0.00 O ATOM 0 H GLY A 99 -2.829 -26.115 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.582 -28.229 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.299 -28.232 -6.101 1.00 0.00 H new ATOM 1477 N PRO A 100 -4.027 -30.180 -5.446 1.00 0.00 N ATOM 1478 CA PRO A 100 -4.777 -31.142 -4.632 1.00 0.00 C ATOM 1479 C PRO A 100 -4.366 -31.102 -3.164 1.00 0.00 C ATOM 1480 O PRO A 100 -3.178 -31.070 -2.843 1.00 0.00 O ATOM 1481 CB PRO A 100 -4.413 -32.492 -5.253 1.00 0.00 C ATOM 1482 CG PRO A 100 -3.085 -32.270 -5.891 1.00 0.00 C ATOM 1483 CD PRO A 100 -3.086 -30.843 -6.364 1.00 0.00 C ATOM 0 HA PRO A 100 -5.847 -30.932 -4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.363 -33.275 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.157 -32.804 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.277 -32.445 -5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.932 -32.957 -6.723 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.091 -30.401 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.413 -30.764 -7.401 1.00 0.00 H new ATOM 1491 N SER A 101 -5.356 -31.106 -2.277 1.00 0.00 N ATOM 1492 CA SER A 101 -5.097 -31.068 -0.843 1.00 0.00 C ATOM 1493 C SER A 101 -4.719 -32.451 -0.321 1.00 0.00 C ATOM 1494 O SER A 101 -3.658 -32.634 0.274 1.00 0.00 O ATOM 1495 CB SER A 101 -6.326 -30.547 -0.095 1.00 0.00 C ATOM 1496 OG SER A 101 -6.340 -29.130 -0.063 1.00 0.00 O ATOM 0 H SER A 101 -6.345 -31.135 -2.526 1.00 0.00 H new ATOM 0 HA SER A 101 -4.260 -30.392 -0.669 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.232 -30.912 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.329 -30.937 0.923 1.00 0.00 H new ATOM 0 HG SER A 101 -7.136 -28.822 0.419 1.00 0.00 H new ATOM 1502 N SER A 102 -5.597 -33.423 -0.550 1.00 0.00 N ATOM 1503 CA SER A 102 -5.359 -34.789 -0.101 1.00 0.00 C ATOM 1504 C SER A 102 -4.025 -35.310 -0.627 1.00 0.00 C ATOM 1505 O SER A 102 -3.822 -35.422 -1.835 1.00 0.00 O ATOM 1506 CB SER A 102 -6.494 -35.705 -0.562 1.00 0.00 C ATOM 1507 OG SER A 102 -6.632 -35.676 -1.973 1.00 0.00 O ATOM 0 H SER A 102 -6.479 -33.289 -1.044 1.00 0.00 H new ATOM 0 HA SER A 102 -5.324 -34.785 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.298 -36.726 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.429 -35.394 -0.096 1.00 0.00 H new ATOM 0 HG SER A 102 -5.747 -35.597 -2.387 1.00 0.00 H new ATOM 1513 N GLY A 103 -3.116 -35.625 0.292 1.00 0.00 N ATOM 1514 CA GLY A 103 -1.812 -36.129 -0.098 1.00 0.00 C ATOM 1515 C GLY A 103 -0.807 -35.019 -0.329 1.00 0.00 C ATOM 1516 O GLY A 103 -0.685 -34.504 -1.440 1.00 0.00 O ATOM 0 H GLY A 103 -3.260 -35.540 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.438 -36.798 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.912 -36.720 -1.008 1.00 0.00 H new TER 1520 GLY A 103