USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 440 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 11 GLN : amide:sc= 0.295 K(o=0.57,f=0) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0.274 USER MOD Set 2.1: A 9 THR OG1 : rot -42:sc= 1.23 USER MOD Set 2.2: A 51 THR OG1 : rot 178:sc= 0.95 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 1.65 K(o=1.7,f=-0.12) USER MOD Single : A 12 MET CE :methyl 170:sc= -0.123 (180deg=-0.302) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 22 CYS SG : rot 148:sc= 0.984 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0.949 (180deg=0.487) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00187 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00456 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 22:sc= 0.0419 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 51:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.814 -5.554 -14.909 1.00 0.00 N ATOM 14 CA LEU A 7 -5.187 -5.290 -13.616 1.00 0.00 C ATOM 15 C LEU A 7 -3.658 -5.329 -13.736 1.00 0.00 C ATOM 16 O LEU A 7 -3.098 -6.017 -14.598 1.00 0.00 O ATOM 17 CB LEU A 7 -5.781 -6.248 -12.558 1.00 0.00 C ATOM 18 CG LEU A 7 -5.708 -7.765 -12.866 1.00 0.00 C ATOM 19 CD1 LEU A 7 -4.409 -8.406 -12.355 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.902 -8.484 -12.222 1.00 0.00 C ATOM 0 HA LEU A 7 -5.411 -4.279 -13.275 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.269 -6.069 -11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.828 -5.982 -12.409 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.732 -7.871 -13.951 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.408 -9.469 -12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.554 -7.925 -12.831 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.341 -8.279 -11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.846 -9.550 -12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.878 -8.334 -11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.831 -8.079 -12.624 1.00 0.00 H new ATOM 31 N LYS A 8 -2.978 -4.550 -12.892 1.00 0.00 N ATOM 32 CA LYS A 8 -1.540 -4.276 -13.025 1.00 0.00 C ATOM 33 C LYS A 8 -0.829 -4.000 -11.690 1.00 0.00 C ATOM 34 O LYS A 8 -1.432 -3.466 -10.758 1.00 0.00 O ATOM 35 CB LYS A 8 -1.311 -3.129 -14.028 1.00 0.00 C ATOM 36 CG LYS A 8 -2.045 -1.816 -13.688 1.00 0.00 C ATOM 37 CD LYS A 8 -1.485 -0.627 -14.483 1.00 0.00 C ATOM 38 CE LYS A 8 -0.139 -0.193 -13.886 1.00 0.00 C ATOM 39 NZ LYS A 8 0.493 0.911 -14.647 1.00 0.00 N ATOM 0 H LYS A 8 -3.409 -4.088 -12.092 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.085 -5.190 -13.406 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.242 -2.926 -14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.629 -3.461 -15.017 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.108 -1.928 -13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.954 -1.615 -12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.357 -0.905 -15.529 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.190 0.204 -14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.288 0.122 -12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.537 -1.048 -13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.398 1.165 -14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.662 0.605 -15.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.137 1.738 -14.647 1.00 0.00 H new ATOM 49 N THR A 9 0.457 -4.367 -11.619 1.00 0.00 N ATOM 50 CA THR A 9 1.333 -4.272 -10.439 1.00 0.00 C ATOM 51 C THR A 9 2.025 -2.910 -10.367 1.00 0.00 C ATOM 52 O THR A 9 2.296 -2.283 -11.391 1.00 0.00 O ATOM 53 CB THR A 9 2.357 -5.418 -10.460 1.00 0.00 C ATOM 54 OG1 THR A 9 1.668 -6.631 -10.658 1.00 0.00 O ATOM 55 CG2 THR A 9 3.135 -5.559 -9.150 1.00 0.00 C ATOM 0 H THR A 9 0.943 -4.760 -12.426 1.00 0.00 H new ATOM 0 HA THR A 9 0.721 -4.366 -9.542 1.00 0.00 H new ATOM 0 HB THR A 9 3.064 -5.191 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.854 -6.638 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.840 -6.386 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.680 -4.636 -8.949 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.440 -5.755 -8.333 1.00 0.00 H new ATOM 63 N GLN A 10 2.336 -2.466 -9.152 1.00 0.00 N ATOM 64 CA GLN A 10 2.994 -1.204 -8.823 1.00 0.00 C ATOM 65 C GLN A 10 3.665 -1.401 -7.457 1.00 0.00 C ATOM 66 O GLN A 10 3.119 -2.099 -6.591 1.00 0.00 O ATOM 67 CB GLN A 10 1.917 -0.094 -8.784 1.00 0.00 C ATOM 68 CG GLN A 10 2.323 1.297 -8.251 1.00 0.00 C ATOM 69 CD GLN A 10 3.187 2.151 -9.188 1.00 0.00 C ATOM 70 OE1 GLN A 10 2.976 2.217 -10.388 1.00 0.00 O ATOM 71 NE2 GLN A 10 4.183 2.850 -8.683 1.00 0.00 N ATOM 0 H GLN A 10 2.122 -3.013 -8.318 1.00 0.00 H new ATOM 0 HA GLN A 10 3.747 -0.912 -9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.536 0.036 -9.797 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.088 -0.455 -8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.415 1.854 -8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.863 1.162 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.378 2.810 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.759 3.431 -9.292 1.00 0.00 H new ATOM 78 N GLN A 11 4.824 -0.773 -7.245 1.00 0.00 N ATOM 79 CA GLN A 11 5.393 -0.580 -5.914 1.00 0.00 C ATOM 80 C GLN A 11 5.221 0.870 -5.445 1.00 0.00 C ATOM 81 O GLN A 11 5.114 1.794 -6.254 1.00 0.00 O ATOM 82 CB GLN A 11 6.877 -0.985 -5.877 1.00 0.00 C ATOM 83 CG GLN A 11 7.097 -2.497 -6.001 1.00 0.00 C ATOM 84 CD GLN A 11 8.464 -2.893 -5.449 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.503 -2.577 -6.016 1.00 0.00 O ATOM 86 NE2 GLN A 11 8.511 -3.548 -4.308 1.00 0.00 N ATOM 0 H GLN A 11 5.394 -0.384 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 11 4.848 -1.229 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.404 -0.481 -6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.318 -0.636 -4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.314 -3.029 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.022 -2.795 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.646 -3.811 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.412 -3.792 -3.897 1.00 0.00 H new ATOM 93 N MET A 12 5.248 1.093 -4.131 1.00 0.00 N ATOM 94 CA MET A 12 5.190 2.433 -3.535 1.00 0.00 C ATOM 95 C MET A 12 6.110 2.553 -2.323 1.00 0.00 C ATOM 96 O MET A 12 6.334 1.582 -1.591 1.00 0.00 O ATOM 97 CB MET A 12 3.743 2.834 -3.198 1.00 0.00 C ATOM 98 CG MET A 12 3.037 1.858 -2.253 1.00 0.00 C ATOM 99 SD MET A 12 1.413 2.389 -1.652 1.00 0.00 S ATOM 100 CE MET A 12 0.585 2.774 -3.213 1.00 0.00 C ATOM 0 H MET A 12 5.311 0.344 -3.442 1.00 0.00 H new ATOM 0 HA MET A 12 5.556 3.138 -4.281 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.746 3.826 -2.745 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.171 2.908 -4.123 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.921 0.903 -2.766 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.683 1.681 -1.393 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.476 2.944 -3.030 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.027 3.671 -3.648 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.704 1.939 -3.904 1.00 0.00 H new ATOM 108 N GLN A 13 6.625 3.764 -2.126 1.00 0.00 N ATOM 109 CA GLN A 13 7.377 4.140 -0.934 1.00 0.00 C ATOM 110 C GLN A 13 6.402 4.616 0.153 1.00 0.00 C ATOM 111 O GLN A 13 5.303 5.076 -0.152 1.00 0.00 O ATOM 112 CB GLN A 13 8.466 5.178 -1.281 1.00 0.00 C ATOM 113 CG GLN A 13 7.970 6.416 -2.041 1.00 0.00 C ATOM 114 CD GLN A 13 9.094 7.416 -2.315 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.919 7.246 -3.215 1.00 0.00 O ATOM 116 NE2 GLN A 13 9.176 8.489 -1.559 1.00 0.00 N ATOM 0 H GLN A 13 6.530 4.523 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 13 7.908 3.276 -0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.941 5.505 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.235 4.688 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.524 6.105 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.185 6.904 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.498 8.639 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.917 9.171 -1.720 1.00 0.00 H new ATOM 123 N VAL A 14 6.803 4.490 1.416 1.00 0.00 N ATOM 124 CA VAL A 14 5.973 4.716 2.608 1.00 0.00 C ATOM 125 C VAL A 14 6.860 5.068 3.801 1.00 0.00 C ATOM 126 O VAL A 14 7.790 4.336 4.135 1.00 0.00 O ATOM 127 CB VAL A 14 5.036 3.519 2.917 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.742 2.151 2.968 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.266 3.740 4.231 1.00 0.00 C ATOM 0 H VAL A 14 7.757 4.216 1.652 1.00 0.00 H new ATOM 0 HA VAL A 14 5.315 5.561 2.402 1.00 0.00 H new ATOM 0 HB VAL A 14 4.347 3.486 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.012 1.373 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.209 1.947 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.505 2.164 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.618 2.885 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.973 3.849 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.661 4.643 4.151 1.00 0.00 H new ATOM 139 N GLY A 15 6.556 6.195 4.446 1.00 0.00 N ATOM 140 CA GLY A 15 7.404 6.814 5.465 1.00 0.00 C ATOM 141 C GLY A 15 7.125 6.314 6.875 1.00 0.00 C ATOM 142 O GLY A 15 6.623 7.080 7.696 1.00 0.00 O ATOM 0 H GLY A 15 5.695 6.714 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.449 6.623 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.262 7.894 5.437 1.00 0.00 H new ATOM 146 N GLY A 16 7.491 5.060 7.164 1.00 0.00 N ATOM 147 CA GLY A 16 7.541 4.499 8.526 1.00 0.00 C ATOM 148 C GLY A 16 7.006 3.075 8.709 1.00 0.00 C ATOM 149 O GLY A 16 6.969 2.600 9.842 1.00 0.00 O ATOM 0 H GLY A 16 7.767 4.390 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.577 4.518 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.979 5.160 9.186 1.00 0.00 H new ATOM 153 N MET A 17 6.631 2.365 7.634 1.00 0.00 N ATOM 154 CA MET A 17 6.179 0.961 7.693 1.00 0.00 C ATOM 155 C MET A 17 7.253 -0.015 8.218 1.00 0.00 C ATOM 156 O MET A 17 6.900 -1.078 8.725 1.00 0.00 O ATOM 157 CB MET A 17 5.671 0.531 6.304 1.00 0.00 C ATOM 158 CG MET A 17 4.959 -0.833 6.326 1.00 0.00 C ATOM 159 SD MET A 17 4.206 -1.348 4.760 1.00 0.00 S ATOM 160 CE MET A 17 5.696 -1.779 3.828 1.00 0.00 C ATOM 0 H MET A 17 6.632 2.750 6.690 1.00 0.00 H new ATOM 0 HA MET A 17 5.368 0.913 8.419 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.985 1.288 5.923 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.512 0.486 5.612 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.678 -1.593 6.630 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.182 -0.805 7.090 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.415 -2.136 2.837 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.331 -0.899 3.729 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.241 -2.562 4.355 1.00 0.00 H new ATOM 219 N CYS A 22 3.235 -2.671 11.510 1.00 0.00 N ATOM 220 CA CYS A 22 2.611 -1.990 10.366 1.00 0.00 C ATOM 221 C CYS A 22 2.591 -2.824 9.068 1.00 0.00 C ATOM 222 O CYS A 22 1.635 -2.729 8.296 1.00 0.00 O ATOM 223 CB CYS A 22 3.314 -0.639 10.187 1.00 0.00 C ATOM 224 SG CYS A 22 2.394 0.358 8.985 1.00 0.00 S ATOM 0 HA CYS A 22 1.554 -1.841 10.585 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.372 -0.117 11.142 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.337 -0.791 9.844 1.00 0.00 H new ATOM 0 HG CYS A 22 2.506 1.617 9.289 1.00 0.00 H new ATOM 229 N ALA A 23 3.585 -3.686 8.847 1.00 0.00 N ATOM 230 CA ALA A 23 3.588 -4.710 7.801 1.00 0.00 C ATOM 231 C ALA A 23 2.372 -5.656 7.899 1.00 0.00 C ATOM 232 O ALA A 23 1.848 -6.109 6.883 1.00 0.00 O ATOM 233 CB ALA A 23 4.911 -5.478 7.935 1.00 0.00 C ATOM 0 H ALA A 23 4.437 -3.691 9.409 1.00 0.00 H new ATOM 0 HA ALA A 23 3.507 -4.241 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.959 -6.256 7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.746 -4.790 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.968 -5.935 8.923 1.00 0.00 H new ATOM 239 N SER A 24 1.876 -5.931 9.104 1.00 0.00 N ATOM 240 CA SER A 24 0.628 -6.674 9.316 1.00 0.00 C ATOM 241 C SER A 24 -0.585 -5.762 9.079 1.00 0.00 C ATOM 242 O SER A 24 -1.496 -6.141 8.357 1.00 0.00 O ATOM 243 CB SER A 24 0.600 -7.309 10.720 1.00 0.00 C ATOM 244 OG SER A 24 1.713 -8.175 10.915 1.00 0.00 O ATOM 0 H SER A 24 2.331 -5.643 9.971 1.00 0.00 H new ATOM 0 HA SER A 24 0.578 -7.487 8.592 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.609 -6.525 11.477 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.327 -7.868 10.851 1.00 0.00 H new ATOM 0 HG SER A 24 1.672 -8.563 11.814 1.00 0.00 H new ATOM 249 N SER A 25 -0.586 -4.537 9.603 1.00 0.00 N ATOM 250 CA SER A 25 -1.706 -3.579 9.529 1.00 0.00 C ATOM 251 C SER A 25 -2.013 -3.054 8.115 1.00 0.00 C ATOM 252 O SER A 25 -3.145 -2.643 7.843 1.00 0.00 O ATOM 253 CB SER A 25 -1.476 -2.400 10.494 1.00 0.00 C ATOM 254 OG SER A 25 -0.914 -2.844 11.716 1.00 0.00 O ATOM 0 H SER A 25 0.217 -4.164 10.110 1.00 0.00 H new ATOM 0 HA SER A 25 -2.586 -4.147 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.813 -1.670 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.422 -1.894 10.688 1.00 0.00 H new ATOM 0 HG SER A 25 -0.776 -2.077 12.310 1.00 0.00 H new ATOM 259 N ILE A 26 -1.041 -3.106 7.195 1.00 0.00 N ATOM 260 CA ILE A 26 -1.300 -3.062 5.747 1.00 0.00 C ATOM 261 C ILE A 26 -1.836 -4.419 5.277 1.00 0.00 C ATOM 262 O ILE A 26 -2.965 -4.497 4.798 1.00 0.00 O ATOM 263 CB ILE A 26 -0.047 -2.589 4.946 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.082 -1.045 4.915 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.072 -3.036 3.468 1.00 0.00 C ATOM 266 CD1 ILE A 26 0.677 -0.445 6.184 1.00 0.00 C ATOM 0 H ILE A 26 -0.052 -3.180 7.432 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.068 -2.315 5.547 1.00 0.00 H new ATOM 0 HB ILE A 26 0.789 -3.048 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.703 -0.760 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.904 -0.612 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.825 -2.677 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.106 -4.124 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.953 -2.623 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.734 0.639 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.046 -0.697 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.678 -0.847 6.342 1.00 0.00 H new ATOM 277 N GLU A 27 -1.042 -5.487 5.368 1.00 0.00 N ATOM 278 CA GLU A 27 -1.244 -6.665 4.511 1.00 0.00 C ATOM 279 C GLU A 27 -2.470 -7.491 4.944 1.00 0.00 C ATOM 280 O GLU A 27 -3.163 -8.054 4.087 1.00 0.00 O ATOM 281 CB GLU A 27 0.050 -7.503 4.498 1.00 0.00 C ATOM 282 CG GLU A 27 0.278 -8.376 3.253 1.00 0.00 C ATOM 283 CD GLU A 27 -0.153 -9.834 3.417 1.00 0.00 C ATOM 284 OE1 GLU A 27 0.462 -10.586 4.211 1.00 0.00 O ATOM 285 OE2 GLU A 27 -1.086 -10.264 2.700 1.00 0.00 O ATOM 0 H GLU A 27 -0.260 -5.565 6.018 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.459 -6.334 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.898 -6.826 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.049 -8.150 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.266 -7.941 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.337 -8.350 2.994 1.00 0.00 H new ATOM 290 N ARG A 28 -2.796 -7.509 6.250 1.00 0.00 N ATOM 291 CA ARG A 28 -4.008 -8.164 6.773 1.00 0.00 C ATOM 292 C ARG A 28 -5.293 -7.438 6.354 1.00 0.00 C ATOM 293 O ARG A 28 -6.342 -8.068 6.223 1.00 0.00 O ATOM 294 CB ARG A 28 -3.916 -8.344 8.304 1.00 0.00 C ATOM 295 CG ARG A 28 -4.319 -7.118 9.153 1.00 0.00 C ATOM 296 CD ARG A 28 -3.780 -7.252 10.584 1.00 0.00 C ATOM 297 NE ARG A 28 -3.894 -5.991 11.340 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.273 -5.698 12.476 1.00 0.00 C ATOM 299 NH1 ARG A 28 -2.543 -6.575 13.125 1.00 0.00 N ATOM 300 NH2 ARG A 28 -3.389 -4.487 12.969 1.00 0.00 N ATOM 0 H ARG A 28 -2.226 -7.069 6.972 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.063 -9.155 6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.549 -9.184 8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.891 -8.616 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.930 -6.208 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.405 -7.025 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.328 -8.037 11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.735 -7.561 10.550 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.509 -5.275 10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.437 -7.521 12.759 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.082 -6.310 13.995 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.949 -3.789 12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.919 -4.244 13.841 1.00 0.00 H new ATOM 311 N ALA A 29 -5.223 -6.127 6.107 1.00 0.00 N ATOM 312 CA ALA A 29 -6.354 -5.306 5.674 1.00 0.00 C ATOM 313 C ALA A 29 -6.467 -5.230 4.141 1.00 0.00 C ATOM 314 O ALA A 29 -7.570 -5.160 3.603 1.00 0.00 O ATOM 315 CB ALA A 29 -6.172 -3.924 6.300 1.00 0.00 C ATOM 0 H ALA A 29 -4.358 -5.596 6.205 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.290 -5.755 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.997 -3.278 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.157 -4.016 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.231 -3.492 5.960 1.00 0.00 H new ATOM 321 N LEU A 30 -5.340 -5.315 3.427 1.00 0.00 N ATOM 322 CA LEU A 30 -5.259 -5.269 1.962 1.00 0.00 C ATOM 323 C LEU A 30 -5.747 -6.560 1.268 1.00 0.00 C ATOM 324 O LEU A 30 -5.760 -6.617 0.040 1.00 0.00 O ATOM 325 CB LEU A 30 -3.819 -4.845 1.592 1.00 0.00 C ATOM 326 CG LEU A 30 -3.579 -4.353 0.147 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.573 -3.270 -0.294 1.00 0.00 C ATOM 328 CD2 LEU A 30 -2.173 -3.745 0.050 1.00 0.00 C ATOM 0 H LEU A 30 -4.426 -5.421 3.868 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.959 -4.528 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.514 -4.052 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.159 -5.693 1.774 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.704 -5.221 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.351 -2.967 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.588 -3.665 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.488 -2.407 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.997 -3.396 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.091 -2.906 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.431 -4.501 0.307 1.00 0.00 H new ATOM 339 N GLU A 31 -6.207 -7.572 2.018 1.00 0.00 N ATOM 340 CA GLU A 31 -7.081 -8.645 1.499 1.00 0.00 C ATOM 341 C GLU A 31 -8.591 -8.329 1.605 1.00 0.00 C ATOM 342 O GLU A 31 -9.412 -9.168 1.224 1.00 0.00 O ATOM 343 CB GLU A 31 -6.768 -10.011 2.139 1.00 0.00 C ATOM 344 CG GLU A 31 -6.862 -10.076 3.670 1.00 0.00 C ATOM 345 CD GLU A 31 -7.060 -11.505 4.200 1.00 0.00 C ATOM 346 OE1 GLU A 31 -6.507 -12.483 3.638 1.00 0.00 O ATOM 347 OE2 GLU A 31 -7.790 -11.656 5.209 1.00 0.00 O ATOM 0 H GLU A 31 -5.984 -7.674 3.008 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.849 -8.701 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.451 -10.750 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.761 -10.306 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.953 -9.657 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.691 -9.452 4.004 1.00 0.00 H new ATOM 352 N ARG A 32 -8.968 -7.150 2.117 1.00 0.00 N ATOM 353 CA ARG A 32 -10.355 -6.663 2.171 1.00 0.00 C ATOM 354 C ARG A 32 -10.519 -5.350 1.390 1.00 0.00 C ATOM 355 O ARG A 32 -11.347 -5.280 0.480 1.00 0.00 O ATOM 356 CB ARG A 32 -10.803 -6.469 3.634 1.00 0.00 C ATOM 357 CG ARG A 32 -10.881 -7.798 4.397 1.00 0.00 C ATOM 358 CD ARG A 32 -11.325 -7.597 5.848 1.00 0.00 C ATOM 359 NE ARG A 32 -11.297 -8.875 6.578 1.00 0.00 N ATOM 360 CZ ARG A 32 -12.329 -9.630 6.933 1.00 0.00 C ATOM 361 NH1 ARG A 32 -13.574 -9.310 6.649 1.00 0.00 N ATOM 362 NH2 ARG A 32 -12.109 -10.748 7.586 1.00 0.00 N ATOM 0 H ARG A 32 -8.300 -6.490 2.516 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.988 -7.416 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.106 -5.802 4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.779 -5.984 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.579 -8.466 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.906 -8.285 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.670 -6.877 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.332 -7.180 5.872 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.375 -9.221 6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.776 -8.452 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.337 -9.920 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.154 -11.026 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.893 -11.338 7.865 1.00 0.00 H new ATOM 373 N LEU A 33 -9.737 -4.314 1.720 1.00 0.00 N ATOM 374 CA LEU A 33 -9.795 -3.000 1.058 1.00 0.00 C ATOM 375 C LEU A 33 -9.050 -2.993 -0.283 1.00 0.00 C ATOM 376 O LEU A 33 -8.036 -3.672 -0.428 1.00 0.00 O ATOM 377 CB LEU A 33 -9.342 -1.894 2.036 1.00 0.00 C ATOM 378 CG LEU A 33 -7.846 -1.894 2.428 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.001 -0.982 1.526 1.00 0.00 C ATOM 380 CD2 LEU A 33 -7.681 -1.425 3.881 1.00 0.00 C ATOM 0 H LEU A 33 -9.038 -4.363 2.462 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.830 -2.783 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.579 -0.927 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.934 -1.980 2.947 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.493 -2.918 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.959 -1.019 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.077 -1.321 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.367 0.042 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.624 -1.429 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.078 -0.415 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.224 -2.098 4.544 1.00 0.00 H new ATOM 391 N LYS A 34 -9.571 -2.228 -1.248 1.00 0.00 N ATOM 392 CA LYS A 34 -9.074 -2.052 -2.626 1.00 0.00 C ATOM 393 C LYS A 34 -9.318 -3.306 -3.499 1.00 0.00 C ATOM 394 O LYS A 34 -9.145 -4.436 -3.043 1.00 0.00 O ATOM 395 CB LYS A 34 -7.597 -1.571 -2.634 1.00 0.00 C ATOM 396 CG LYS A 34 -7.195 -0.863 -3.945 1.00 0.00 C ATOM 397 CD LYS A 34 -5.777 -0.263 -3.948 1.00 0.00 C ATOM 398 CE LYS A 34 -5.434 0.241 -5.363 1.00 0.00 C ATOM 399 NZ LYS A 34 -4.272 1.165 -5.398 1.00 0.00 N ATOM 0 H LYS A 34 -10.411 -1.674 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.658 -1.259 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.439 -0.890 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.942 -2.428 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.274 -1.576 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.911 -0.066 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.717 0.558 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.052 -1.014 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.226 -0.615 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.304 0.748 -5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.905 1.225 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.570 2.110 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.526 0.808 -4.768 1.00 0.00 H new ATOM 409 N GLY A 35 -9.645 -3.133 -4.787 1.00 0.00 N ATOM 410 CA GLY A 35 -9.873 -4.221 -5.760 1.00 0.00 C ATOM 411 C GLY A 35 -8.577 -4.924 -6.171 1.00 0.00 C ATOM 412 O GLY A 35 -8.164 -4.838 -7.326 1.00 0.00 O ATOM 0 H GLY A 35 -9.763 -2.206 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.557 -4.952 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.359 -3.814 -6.647 1.00 0.00 H new ATOM 416 N VAL A 36 -7.916 -5.556 -5.199 1.00 0.00 N ATOM 417 CA VAL A 36 -6.537 -6.060 -5.278 1.00 0.00 C ATOM 418 C VAL A 36 -6.504 -7.569 -5.502 1.00 0.00 C ATOM 419 O VAL A 36 -7.070 -8.336 -4.724 1.00 0.00 O ATOM 420 CB VAL A 36 -5.746 -5.676 -4.004 1.00 0.00 C ATOM 421 CG1 VAL A 36 -4.442 -6.461 -3.768 1.00 0.00 C ATOM 422 CG2 VAL A 36 -5.390 -4.186 -4.082 1.00 0.00 C ATOM 0 H VAL A 36 -8.345 -5.741 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.059 -5.591 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.403 -5.923 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.969 -6.113 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.668 -7.524 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.765 -6.303 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.832 -3.898 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.780 -4.003 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.305 -3.596 -4.143 1.00 0.00 H new ATOM 432 N ALA A 37 -5.771 -7.984 -6.537 1.00 0.00 N ATOM 433 CA ALA A 37 -5.562 -9.388 -6.897 1.00 0.00 C ATOM 434 C ALA A 37 -4.326 -10.016 -6.225 1.00 0.00 C ATOM 435 O ALA A 37 -4.281 -11.239 -6.067 1.00 0.00 O ATOM 436 CB ALA A 37 -5.453 -9.461 -8.426 1.00 0.00 C ATOM 0 H ALA A 37 -5.294 -7.336 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.408 -9.971 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.296 -10.496 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.373 -9.086 -8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.612 -8.853 -8.760 1.00 0.00 H new ATOM 442 N GLU A 38 -3.334 -9.205 -5.832 1.00 0.00 N ATOM 443 CA GLU A 38 -2.052 -9.659 -5.280 1.00 0.00 C ATOM 444 C GLU A 38 -1.300 -8.505 -4.602 1.00 0.00 C ATOM 445 O GLU A 38 -1.078 -7.475 -5.239 1.00 0.00 O ATOM 446 CB GLU A 38 -1.213 -10.305 -6.403 1.00 0.00 C ATOM 447 CG GLU A 38 0.027 -11.060 -5.913 1.00 0.00 C ATOM 448 CD GLU A 38 0.711 -11.784 -7.074 1.00 0.00 C ATOM 449 OE1 GLU A 38 1.251 -11.106 -7.984 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.706 -13.036 -7.118 1.00 0.00 O ATOM 0 H GLU A 38 -3.404 -8.189 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.238 -10.407 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.846 -10.995 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.898 -9.527 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.725 -10.362 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.259 -11.780 -5.146 1.00 0.00 H new ATOM 455 N ALA A 39 -0.861 -8.658 -3.347 1.00 0.00 N ATOM 456 CA ALA A 39 -0.099 -7.625 -2.628 1.00 0.00 C ATOM 457 C ALA A 39 0.842 -8.188 -1.549 1.00 0.00 C ATOM 458 O ALA A 39 0.544 -9.200 -0.910 1.00 0.00 O ATOM 459 CB ALA A 39 -1.071 -6.597 -2.034 1.00 0.00 C ATOM 0 H ALA A 39 -1.023 -9.503 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 39 0.555 -7.143 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.509 -5.830 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.645 -6.134 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.750 -7.096 -1.343 1.00 0.00 H new ATOM 465 N SER A 40 1.967 -7.501 -1.335 1.00 0.00 N ATOM 466 CA SER A 40 3.095 -7.966 -0.508 1.00 0.00 C ATOM 467 C SER A 40 3.888 -6.785 0.093 1.00 0.00 C ATOM 468 O SER A 40 4.113 -5.777 -0.581 1.00 0.00 O ATOM 469 CB SER A 40 4.063 -8.827 -1.344 1.00 0.00 C ATOM 470 OG SER A 40 3.405 -9.801 -2.142 1.00 0.00 O ATOM 0 H SER A 40 2.128 -6.579 -1.742 1.00 0.00 H new ATOM 0 HA SER A 40 2.669 -8.558 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.651 -8.176 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.762 -9.328 -0.675 1.00 0.00 H new ATOM 0 HG SER A 40 4.070 -10.313 -2.648 1.00 0.00 H new ATOM 475 N VAL A 41 4.362 -6.900 1.335 1.00 0.00 N ATOM 476 CA VAL A 41 5.102 -5.861 2.083 1.00 0.00 C ATOM 477 C VAL A 41 6.575 -6.249 2.262 1.00 0.00 C ATOM 478 O VAL A 41 6.885 -7.374 2.650 1.00 0.00 O ATOM 479 CB VAL A 41 4.458 -5.563 3.463 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.131 -4.808 3.279 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.196 -6.819 4.314 1.00 0.00 C ATOM 0 H VAL A 41 4.239 -7.755 1.878 1.00 0.00 H new ATOM 0 HA VAL A 41 5.048 -4.950 1.486 1.00 0.00 H new ATOM 0 HB VAL A 41 5.186 -4.955 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.690 -4.605 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.317 -3.867 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.445 -5.416 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.745 -6.528 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.519 -7.486 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.138 -7.334 4.503 1.00 0.00 H new ATOM 491 N THR A 42 7.481 -5.304 1.984 1.00 0.00 N ATOM 492 CA THR A 42 8.936 -5.446 2.140 1.00 0.00 C ATOM 493 C THR A 42 9.358 -4.644 3.365 1.00 0.00 C ATOM 494 O THR A 42 9.108 -3.442 3.425 1.00 0.00 O ATOM 495 CB THR A 42 9.648 -4.947 0.879 1.00 0.00 C ATOM 496 OG1 THR A 42 9.198 -5.709 -0.220 1.00 0.00 O ATOM 497 CG2 THR A 42 11.166 -5.094 0.981 1.00 0.00 C ATOM 0 H THR A 42 7.213 -4.385 1.631 1.00 0.00 H new ATOM 0 HA THR A 42 9.209 -6.492 2.278 1.00 0.00 H new ATOM 0 HB THR A 42 9.418 -3.889 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.644 -5.400 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.629 -4.728 0.065 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.531 -4.515 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.421 -6.144 1.122 1.00 0.00 H new ATOM 505 N VAL A 43 9.980 -5.301 4.341 1.00 0.00 N ATOM 506 CA VAL A 43 10.151 -4.785 5.715 1.00 0.00 C ATOM 507 C VAL A 43 11.589 -4.304 5.980 1.00 0.00 C ATOM 508 O VAL A 43 11.788 -3.381 6.769 1.00 0.00 O ATOM 509 CB VAL A 43 9.732 -5.855 6.759 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.673 -5.281 8.187 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.347 -6.452 6.435 1.00 0.00 C ATOM 0 H VAL A 43 10.390 -6.225 4.206 1.00 0.00 H new ATOM 0 HA VAL A 43 9.497 -3.919 5.817 1.00 0.00 H new ATOM 0 HB VAL A 43 10.497 -6.630 6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.376 -6.066 8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.655 -4.901 8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.946 -4.470 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.087 -7.197 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.599 -5.659 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.375 -6.923 5.452 1.00 0.00 H new ATOM 521 N ALA A 44 12.592 -4.873 5.294 1.00 0.00 N ATOM 522 CA ALA A 44 14.005 -4.486 5.438 1.00 0.00 C ATOM 523 C ALA A 44 14.278 -3.016 5.049 1.00 0.00 C ATOM 524 O ALA A 44 15.070 -2.333 5.706 1.00 0.00 O ATOM 525 CB ALA A 44 14.845 -5.461 4.600 1.00 0.00 C ATOM 0 H ALA A 44 12.444 -5.622 4.617 1.00 0.00 H new ATOM 0 HA ALA A 44 14.283 -4.549 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.900 -5.200 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.692 -6.477 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.540 -5.399 3.555 1.00 0.00 H new ATOM 531 N THR A 45 13.596 -2.533 4.002 1.00 0.00 N ATOM 532 CA THR A 45 13.648 -1.156 3.472 1.00 0.00 C ATOM 533 C THR A 45 12.347 -0.380 3.688 1.00 0.00 C ATOM 534 O THR A 45 12.352 0.849 3.599 1.00 0.00 O ATOM 535 CB THR A 45 13.974 -1.208 1.972 1.00 0.00 C ATOM 536 OG1 THR A 45 13.078 -2.110 1.358 1.00 0.00 O ATOM 537 CG2 THR A 45 15.409 -1.677 1.726 1.00 0.00 C ATOM 0 H THR A 45 12.956 -3.122 3.469 1.00 0.00 H new ATOM 0 HA THR A 45 14.425 -0.626 4.022 1.00 0.00 H new ATOM 0 HB THR A 45 13.874 -0.207 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.268 -2.157 0.398 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.605 -1.702 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.104 -0.988 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.542 -2.676 2.142 1.00 0.00 H new ATOM 545 N GLY A 46 11.233 -1.065 3.979 1.00 0.00 N ATOM 546 CA GLY A 46 9.923 -0.463 4.247 1.00 0.00 C ATOM 547 C GLY A 46 9.271 0.081 2.979 1.00 0.00 C ATOM 548 O GLY A 46 9.267 1.292 2.774 1.00 0.00 O ATOM 0 H GLY A 46 11.220 -2.083 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.268 -1.207 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.037 0.344 4.971 1.00 0.00 H new ATOM 552 N ARG A 47 8.710 -0.801 2.145 1.00 0.00 N ATOM 553 CA ARG A 47 8.063 -0.471 0.861 1.00 0.00 C ATOM 554 C ARG A 47 7.036 -1.538 0.447 1.00 0.00 C ATOM 555 O ARG A 47 7.066 -2.663 0.947 1.00 0.00 O ATOM 556 CB ARG A 47 9.115 -0.188 -0.233 1.00 0.00 C ATOM 557 CG ARG A 47 10.063 -1.368 -0.513 1.00 0.00 C ATOM 558 CD ARG A 47 11.097 -1.049 -1.600 1.00 0.00 C ATOM 559 NE ARG A 47 12.027 0.029 -1.209 1.00 0.00 N ATOM 560 CZ ARG A 47 13.064 0.469 -1.913 1.00 0.00 C ATOM 561 NH1 ARG A 47 13.359 -0.012 -3.101 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.823 1.414 -1.405 1.00 0.00 N ATOM 0 H ARG A 47 8.691 -1.800 2.348 1.00 0.00 H new ATOM 0 HA ARG A 47 7.496 0.450 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.601 0.078 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.707 0.678 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.581 -1.640 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.477 -2.235 -0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.667 -1.950 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.578 -0.761 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 47 11.857 0.480 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.783 -0.748 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.163 0.351 -3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.612 1.798 -0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.623 1.764 -1.932 1.00 0.00 H new ATOM 573 N LEU A 48 6.088 -1.175 -0.420 1.00 0.00 N ATOM 574 CA LEU A 48 4.895 -1.976 -0.748 1.00 0.00 C ATOM 575 C LEU A 48 4.908 -2.449 -2.211 1.00 0.00 C ATOM 576 O LEU A 48 5.460 -1.756 -3.065 1.00 0.00 O ATOM 577 CB LEU A 48 3.647 -1.103 -0.475 1.00 0.00 C ATOM 578 CG LEU A 48 2.600 -1.698 0.482 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.532 -0.628 0.734 1.00 0.00 C ATOM 580 CD2 LEU A 48 1.929 -2.958 -0.082 1.00 0.00 C ATOM 0 H LEU A 48 6.125 -0.292 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 48 4.882 -2.873 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.979 -0.148 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.161 -0.893 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 48 3.105 -1.992 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.774 -1.023 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.996 0.251 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.065 -0.350 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.200 -3.334 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.425 -2.714 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.685 -3.722 -0.265 1.00 0.00 H new ATOM 591 N THR A 49 4.223 -3.563 -2.504 1.00 0.00 N ATOM 592 CA THR A 49 3.896 -4.082 -3.847 1.00 0.00 C ATOM 593 C THR A 49 2.407 -4.395 -3.865 1.00 0.00 C ATOM 594 O THR A 49 1.916 -5.038 -2.940 1.00 0.00 O ATOM 595 CB THR A 49 4.671 -5.374 -4.151 1.00 0.00 C ATOM 596 OG1 THR A 49 6.048 -5.177 -3.931 1.00 0.00 O ATOM 597 CG2 THR A 49 4.503 -5.795 -5.614 1.00 0.00 C ATOM 0 H THR A 49 3.858 -4.166 -1.767 1.00 0.00 H new ATOM 0 HA THR A 49 4.167 -3.338 -4.596 1.00 0.00 H new ATOM 0 HB THR A 49 4.273 -6.146 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.532 -6.006 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.064 -6.712 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.447 -5.967 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.878 -5.006 -6.265 1.00 0.00 H new ATOM 605 N VAL A 50 1.696 -3.957 -4.903 1.00 0.00 N ATOM 606 CA VAL A 50 0.228 -4.067 -4.994 1.00 0.00 C ATOM 607 C VAL A 50 -0.235 -4.175 -6.454 1.00 0.00 C ATOM 608 O VAL A 50 0.247 -3.432 -7.308 1.00 0.00 O ATOM 609 CB VAL A 50 -0.443 -2.888 -4.235 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.012 -1.500 -4.746 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.978 -2.968 -4.236 1.00 0.00 C ATOM 0 H VAL A 50 2.120 -3.510 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.089 -4.990 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.085 -3.001 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.520 -0.726 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.066 -1.389 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.277 -1.401 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.387 -2.117 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.343 -2.950 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.294 -3.893 -3.755 1.00 0.00 H new ATOM 621 N THR A 51 -1.160 -5.108 -6.728 1.00 0.00 N ATOM 622 CA THR A 51 -1.761 -5.381 -8.047 1.00 0.00 C ATOM 623 C THR A 51 -3.266 -5.166 -7.981 1.00 0.00 C ATOM 624 O THR A 51 -3.933 -5.843 -7.204 1.00 0.00 O ATOM 625 CB THR A 51 -1.460 -6.818 -8.498 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.063 -6.946 -8.615 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.053 -7.114 -9.883 1.00 0.00 C ATOM 0 H THR A 51 -1.528 -5.723 -6.002 1.00 0.00 H new ATOM 0 HA THR A 51 -1.326 -4.694 -8.773 1.00 0.00 H new ATOM 0 HB THR A 51 -1.892 -7.504 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.161 -7.865 -8.870 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.819 -8.140 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.135 -6.984 -9.851 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.627 -6.428 -10.615 1.00 0.00 H new ATOM 635 N TYR A 52 -3.801 -4.255 -8.800 1.00 0.00 N ATOM 636 CA TYR A 52 -5.173 -3.731 -8.664 1.00 0.00 C ATOM 637 C TYR A 52 -5.852 -3.328 -9.994 1.00 0.00 C ATOM 638 O TYR A 52 -5.205 -3.266 -11.041 1.00 0.00 O ATOM 639 CB TYR A 52 -5.132 -2.534 -7.697 1.00 0.00 C ATOM 640 CG TYR A 52 -4.382 -1.324 -8.231 1.00 0.00 C ATOM 641 CD1 TYR A 52 -2.996 -1.186 -8.009 1.00 0.00 C ATOM 642 CD2 TYR A 52 -5.074 -0.329 -8.948 1.00 0.00 C ATOM 643 CE1 TYR A 52 -2.298 -0.090 -8.547 1.00 0.00 C ATOM 644 CE2 TYR A 52 -4.378 0.761 -9.499 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.980 0.867 -9.331 1.00 0.00 C ATOM 646 OH TYR A 52 -2.302 1.896 -9.909 1.00 0.00 O ATOM 0 H TYR A 52 -3.291 -3.853 -9.587 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.789 -4.543 -8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.154 -2.238 -7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.668 -2.852 -6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.469 -1.925 -7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.144 -0.404 -9.075 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.240 0.020 -8.361 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.913 1.519 -10.052 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.927 2.458 -10.413 1.00 0.00 H new ATOM 655 N ASP A 53 -7.156 -3.018 -9.937 1.00 0.00 N ATOM 656 CA ASP A 53 -8.006 -2.576 -11.046 1.00 0.00 C ATOM 657 C ASP A 53 -8.202 -1.036 -10.993 1.00 0.00 C ATOM 658 O ASP A 53 -8.923 -0.552 -10.106 1.00 0.00 O ATOM 659 CB ASP A 53 -9.344 -3.328 -10.919 1.00 0.00 C ATOM 660 CG ASP A 53 -10.350 -2.979 -12.015 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.911 -1.861 -11.993 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.649 -3.849 -12.865 1.00 0.00 O ATOM 0 H ASP A 53 -7.674 -3.074 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.548 -2.798 -12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.152 -4.401 -10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.786 -3.105 -9.948 1.00 0.00 H new ATOM 666 N PRO A 54 -7.595 -0.260 -11.921 1.00 0.00 N ATOM 667 CA PRO A 54 -7.593 1.211 -11.922 1.00 0.00 C ATOM 668 C PRO A 54 -8.930 1.835 -12.371 1.00 0.00 C ATOM 669 O PRO A 54 -8.986 3.020 -12.707 1.00 0.00 O ATOM 670 CB PRO A 54 -6.431 1.599 -12.846 1.00 0.00 C ATOM 671 CG PRO A 54 -6.434 0.476 -13.877 1.00 0.00 C ATOM 672 CD PRO A 54 -6.774 -0.745 -13.024 1.00 0.00 C ATOM 0 HA PRO A 54 -7.467 1.599 -10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.589 2.573 -13.308 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.485 1.651 -12.307 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.173 0.644 -14.660 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.467 0.372 -14.369 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.312 -1.491 -13.610 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.868 -1.224 -12.653 1.00 0.00 H new ATOM 677 N LYS A 55 -10.014 1.053 -12.390 1.00 0.00 N ATOM 678 CA LYS A 55 -11.353 1.502 -12.824 1.00 0.00 C ATOM 679 C LYS A 55 -12.392 1.330 -11.711 1.00 0.00 C ATOM 680 O LYS A 55 -13.289 2.159 -11.558 1.00 0.00 O ATOM 681 CB LYS A 55 -11.762 0.769 -14.114 1.00 0.00 C ATOM 682 CG LYS A 55 -10.924 1.230 -15.316 1.00 0.00 C ATOM 683 CD LYS A 55 -11.425 0.589 -16.615 1.00 0.00 C ATOM 684 CE LYS A 55 -10.566 1.070 -17.788 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.972 0.432 -19.058 1.00 0.00 N ATOM 0 H LYS A 55 -9.992 0.075 -12.101 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.308 2.569 -13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.642 -0.306 -13.976 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.818 0.948 -14.316 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.970 2.316 -15.401 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.878 0.967 -15.157 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.379 -0.497 -16.538 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.469 0.852 -16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.650 2.153 -17.881 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.518 0.848 -17.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.369 0.781 -19.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.868 -0.600 -18.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.965 0.665 -19.262 1.00 0.00 H new ATOM 695 N GLN A 56 -12.189 0.336 -10.850 1.00 0.00 N ATOM 696 CA GLN A 56 -12.705 0.349 -9.491 1.00 0.00 C ATOM 697 C GLN A 56 -12.033 1.486 -8.705 1.00 0.00 C ATOM 698 O GLN A 56 -12.711 2.444 -8.336 1.00 0.00 O ATOM 699 CB GLN A 56 -12.478 -1.027 -8.839 1.00 0.00 C ATOM 700 CG GLN A 56 -13.461 -2.079 -9.379 1.00 0.00 C ATOM 701 CD GLN A 56 -13.235 -3.478 -8.806 1.00 0.00 C ATOM 702 OE1 GLN A 56 -13.068 -4.452 -9.536 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.222 -3.640 -7.502 1.00 0.00 N ATOM 0 H GLN A 56 -11.658 -0.504 -11.080 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.779 0.535 -9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.455 -1.354 -9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.593 -0.942 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.479 -1.763 -9.153 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.374 -2.122 -10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.360 -2.838 -6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.074 -4.568 -7.105 1.00 0.00 H new ATOM 710 N VAL A 57 -10.714 1.435 -8.481 1.00 0.00 N ATOM 711 CA VAL A 57 -10.046 2.216 -7.409 1.00 0.00 C ATOM 712 C VAL A 57 -8.545 2.384 -7.672 1.00 0.00 C ATOM 713 O VAL A 57 -7.983 1.696 -8.520 1.00 0.00 O ATOM 714 CB VAL A 57 -10.261 1.598 -6.001 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.679 1.794 -5.442 1.00 0.00 C ATOM 716 CG2 VAL A 57 -9.901 0.102 -5.977 1.00 0.00 C ATOM 0 H VAL A 57 -10.075 0.858 -9.029 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.518 3.199 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.582 2.149 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.748 1.334 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.894 2.859 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.402 1.327 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.064 -0.295 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.530 -0.435 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.854 -0.025 -6.251 1.00 0.00 H new ATOM 726 N SER A 58 -7.878 3.282 -6.945 1.00 0.00 N ATOM 727 CA SER A 58 -6.524 3.750 -7.261 1.00 0.00 C ATOM 728 C SER A 58 -5.775 4.075 -5.954 1.00 0.00 C ATOM 729 O SER A 58 -5.919 3.340 -4.970 1.00 0.00 O ATOM 730 CB SER A 58 -6.610 4.906 -8.283 1.00 0.00 C ATOM 731 OG SER A 58 -6.695 4.397 -9.606 1.00 0.00 O ATOM 0 H SER A 58 -8.268 3.712 -6.107 1.00 0.00 H new ATOM 0 HA SER A 58 -5.929 2.977 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.482 5.524 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.734 5.547 -8.190 1.00 0.00 H new ATOM 0 HG SER A 58 -7.026 3.475 -9.581 1.00 0.00 H new ATOM 736 N GLU A 59 -4.921 5.102 -5.921 1.00 0.00 N ATOM 737 CA GLU A 59 -4.061 5.391 -4.778 1.00 0.00 C ATOM 738 C GLU A 59 -4.893 5.682 -3.525 1.00 0.00 C ATOM 739 O GLU A 59 -4.527 5.267 -2.430 1.00 0.00 O ATOM 740 CB GLU A 59 -3.183 6.603 -5.106 1.00 0.00 C ATOM 741 CG GLU A 59 -2.038 6.776 -4.105 1.00 0.00 C ATOM 742 CD GLU A 59 -1.626 8.237 -4.028 1.00 0.00 C ATOM 743 OE1 GLU A 59 -0.999 8.739 -4.988 1.00 0.00 O ATOM 744 OE2 GLU A 59 -1.946 8.901 -3.020 1.00 0.00 O ATOM 0 H GLU A 59 -4.809 5.759 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.438 4.519 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.772 6.491 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.797 7.503 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.349 6.426 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.187 6.166 -4.406 1.00 0.00 H new ATOM 749 N ILE A 60 -6.033 6.357 -3.678 1.00 0.00 N ATOM 750 CA ILE A 60 -6.831 6.880 -2.564 1.00 0.00 C ATOM 751 C ILE A 60 -7.195 5.794 -1.554 1.00 0.00 C ATOM 752 O ILE A 60 -6.968 5.987 -0.358 1.00 0.00 O ATOM 753 CB ILE A 60 -8.038 7.667 -3.133 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.659 9.157 -3.277 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.353 7.469 -2.358 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.533 9.947 -1.963 1.00 0.00 C ATOM 0 H ILE A 60 -6.436 6.560 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.237 7.583 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.253 7.251 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.710 9.221 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.408 9.644 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.143 8.056 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.628 6.414 -2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.220 7.796 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.264 10.980 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.485 9.926 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.761 9.496 -1.340 1.00 0.00 H new ATOM 767 N THR A 61 -7.668 4.628 -2.007 1.00 0.00 N ATOM 768 CA THR A 61 -8.101 3.561 -1.090 1.00 0.00 C ATOM 769 C THR A 61 -6.950 3.002 -0.247 1.00 0.00 C ATOM 770 O THR A 61 -7.177 2.598 0.891 1.00 0.00 O ATOM 771 CB THR A 61 -8.832 2.489 -1.895 1.00 0.00 C ATOM 772 OG1 THR A 61 -10.019 3.061 -2.401 1.00 0.00 O ATOM 773 CG2 THR A 61 -9.239 1.279 -1.052 1.00 0.00 C ATOM 0 H THR A 61 -7.762 4.397 -2.996 1.00 0.00 H new ATOM 0 HA THR A 61 -8.792 3.978 -0.358 1.00 0.00 H new ATOM 0 HB THR A 61 -8.152 2.146 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.507 2.392 -2.925 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.754 0.554 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.349 0.819 -0.622 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.904 1.601 -0.251 1.00 0.00 H new ATOM 781 N ILE A 62 -5.714 3.014 -0.754 1.00 0.00 N ATOM 782 CA ILE A 62 -4.512 2.578 -0.009 1.00 0.00 C ATOM 783 C ILE A 62 -3.836 3.753 0.738 1.00 0.00 C ATOM 784 O ILE A 62 -3.280 3.550 1.820 1.00 0.00 O ATOM 785 CB ILE A 62 -3.631 1.713 -0.955 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.500 0.949 -0.237 1.00 0.00 C ATOM 787 CG2 ILE A 62 -3.100 2.481 -2.176 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.919 -0.209 -1.079 1.00 0.00 C ATOM 0 H ILE A 62 -5.509 3.329 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.764 1.920 0.823 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.321 0.958 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.700 1.646 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.879 0.551 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.494 1.814 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.939 2.854 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.490 3.320 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.128 -0.706 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.708 -0.926 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.510 0.187 -2.009 1.00 0.00 H new ATOM 799 N GLN A 63 -4.019 4.992 0.268 1.00 0.00 N ATOM 800 CA GLN A 63 -3.671 6.239 0.959 1.00 0.00 C ATOM 801 C GLN A 63 -4.430 6.376 2.285 1.00 0.00 C ATOM 802 O GLN A 63 -3.791 6.632 3.305 1.00 0.00 O ATOM 803 CB GLN A 63 -3.968 7.444 0.040 1.00 0.00 C ATOM 804 CG GLN A 63 -3.347 8.763 0.529 1.00 0.00 C ATOM 805 CD GLN A 63 -4.002 9.981 -0.124 1.00 0.00 C ATOM 806 OE1 GLN A 63 -4.691 10.765 0.522 1.00 0.00 O ATOM 807 NE2 GLN A 63 -3.862 10.184 -1.416 1.00 0.00 N ATOM 0 H GLN A 63 -4.434 5.161 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.606 6.216 1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.595 7.227 -0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.048 7.570 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.450 8.833 1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.279 8.764 0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.294 9.546 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.321 10.979 -1.860 1.00 0.00 H new ATOM 814 N GLU A 64 -5.758 6.172 2.287 1.00 0.00 N ATOM 815 CA GLU A 64 -6.612 6.248 3.486 1.00 0.00 C ATOM 816 C GLU A 64 -6.152 5.297 4.599 1.00 0.00 C ATOM 817 O GLU A 64 -6.192 5.674 5.775 1.00 0.00 O ATOM 818 CB GLU A 64 -8.080 5.939 3.121 1.00 0.00 C ATOM 819 CG GLU A 64 -8.763 7.047 2.308 1.00 0.00 C ATOM 820 CD GLU A 64 -10.272 6.827 2.193 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.731 5.930 1.445 1.00 0.00 O ATOM 822 OE2 GLU A 64 -11.023 7.578 2.861 1.00 0.00 O ATOM 0 H GLU A 64 -6.279 5.945 1.440 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.528 7.266 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.115 5.010 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.645 5.773 4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.572 8.012 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.325 7.087 1.310 1.00 0.00 H new ATOM 827 N ARG A 65 -5.682 4.097 4.235 1.00 0.00 N ATOM 828 CA ARG A 65 -5.090 3.110 5.144 1.00 0.00 C ATOM 829 C ARG A 65 -3.751 3.598 5.700 1.00 0.00 C ATOM 830 O ARG A 65 -3.560 3.628 6.914 1.00 0.00 O ATOM 831 CB ARG A 65 -4.963 1.773 4.381 1.00 0.00 C ATOM 832 CG ARG A 65 -4.141 0.657 5.057 1.00 0.00 C ATOM 833 CD ARG A 65 -4.516 0.327 6.506 1.00 0.00 C ATOM 834 NE ARG A 65 -5.956 0.116 6.679 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.553 -0.652 7.575 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.911 -1.489 8.363 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.856 -0.554 7.665 1.00 0.00 N ATOM 0 H ARG A 65 -5.705 3.777 3.267 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.731 2.964 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.967 1.391 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.518 1.979 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.240 -0.251 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.089 0.942 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.980 -0.568 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.190 1.139 7.156 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.567 0.619 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.896 -1.571 8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.428 -2.055 9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.362 0.093 7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.365 -1.124 8.340 1.00 0.00 H new ATOM 848 N ILE A 66 -2.808 3.973 4.835 1.00 0.00 N ATOM 849 CA ILE A 66 -1.433 4.311 5.252 1.00 0.00 C ATOM 850 C ILE A 66 -1.379 5.638 6.030 1.00 0.00 C ATOM 851 O ILE A 66 -0.611 5.751 6.985 1.00 0.00 O ATOM 852 CB ILE A 66 -0.513 4.248 4.011 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.410 2.776 3.530 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.894 4.785 4.322 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.073 2.622 2.086 1.00 0.00 C ATOM 0 H ILE A 66 -2.967 4.053 3.831 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.060 3.579 5.968 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.946 4.875 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.271 2.237 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.388 2.304 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.512 4.725 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.824 5.823 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.344 4.188 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.117 1.564 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.619 3.130 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.065 3.062 1.985 1.00 0.00 H new ATOM 866 N ALA A 67 -2.253 6.595 5.707 1.00 0.00 N ATOM 867 CA ALA A 67 -2.410 7.842 6.456 1.00 0.00 C ATOM 868 C ALA A 67 -2.978 7.597 7.866 1.00 0.00 C ATOM 869 O ALA A 67 -2.521 8.205 8.836 1.00 0.00 O ATOM 870 CB ALA A 67 -3.346 8.764 5.662 1.00 0.00 C ATOM 0 H ALA A 67 -2.880 6.523 4.906 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.431 8.304 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.478 9.701 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.912 8.967 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.314 8.279 5.536 1.00 0.00 H new ATOM 876 N ALA A 68 -3.973 6.710 7.984 1.00 0.00 N ATOM 877 CA ALA A 68 -4.651 6.397 9.242 1.00 0.00 C ATOM 878 C ALA A 68 -3.760 5.615 10.226 1.00 0.00 C ATOM 879 O ALA A 68 -3.847 5.835 11.432 1.00 0.00 O ATOM 880 CB ALA A 68 -5.942 5.641 8.901 1.00 0.00 C ATOM 0 H ALA A 68 -4.335 6.181 7.191 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.887 7.324 9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.472 5.393 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.576 6.268 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.696 4.724 8.365 1.00 0.00 H new ATOM 886 N LEU A 69 -2.852 4.764 9.731 1.00 0.00 N ATOM 887 CA LEU A 69 -1.827 4.086 10.548 1.00 0.00 C ATOM 888 C LEU A 69 -0.731 5.030 11.098 1.00 0.00 C ATOM 889 O LEU A 69 0.040 4.613 11.968 1.00 0.00 O ATOM 890 CB LEU A 69 -1.237 2.927 9.727 1.00 0.00 C ATOM 891 CG LEU A 69 -2.244 1.783 9.474 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.610 0.786 8.502 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.660 1.043 10.755 1.00 0.00 C ATOM 0 H LEU A 69 -2.805 4.522 8.741 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.313 3.699 11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.886 3.311 8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.367 2.527 10.248 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.149 2.230 9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.307 -0.030 8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.376 1.290 7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.694 0.386 8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.368 0.253 10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.779 0.606 11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.129 1.745 11.445 1.00 0.00 H new ATOM 904 N GLY A 70 -0.689 6.290 10.634 1.00 0.00 N ATOM 905 CA GLY A 70 0.184 7.365 11.137 1.00 0.00 C ATOM 906 C GLY A 70 1.269 7.837 10.165 1.00 0.00 C ATOM 907 O GLY A 70 2.093 8.675 10.534 1.00 0.00 O ATOM 0 H GLY A 70 -1.286 6.600 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.437 8.220 11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.665 7.021 12.053 1.00 0.00 H new ATOM 911 N TYR A 71 1.287 7.314 8.937 1.00 0.00 N ATOM 912 CA TYR A 71 2.369 7.505 7.960 1.00 0.00 C ATOM 913 C TYR A 71 1.892 8.312 6.732 1.00 0.00 C ATOM 914 O TYR A 71 0.926 9.079 6.834 1.00 0.00 O ATOM 915 CB TYR A 71 2.928 6.111 7.618 1.00 0.00 C ATOM 916 CG TYR A 71 3.270 5.280 8.847 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.347 5.656 9.671 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.469 4.179 9.213 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.654 4.915 10.826 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.755 3.449 10.384 1.00 0.00 C ATOM 921 CZ TYR A 71 3.863 3.803 11.184 1.00 0.00 C ATOM 922 OH TYR A 71 4.161 3.097 12.309 1.00 0.00 O ATOM 0 H TYR A 71 0.530 6.730 8.582 1.00 0.00 H new ATOM 0 HA TYR A 71 3.174 8.110 8.376 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.197 5.572 7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.822 6.226 7.006 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.942 6.520 9.414 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.632 3.894 8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.496 5.198 11.440 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.126 2.619 10.669 1.00 0.00 H new ATOM 0 HH TYR A 71 3.520 2.363 12.414 1.00 0.00 H new ATOM 931 N THR A 72 2.554 8.168 5.574 1.00 0.00 N ATOM 932 CA THR A 72 2.188 8.743 4.257 1.00 0.00 C ATOM 933 C THR A 72 3.057 8.089 3.180 1.00 0.00 C ATOM 934 O THR A 72 4.215 7.763 3.443 1.00 0.00 O ATOM 935 CB THR A 72 2.320 10.282 4.245 1.00 0.00 C ATOM 936 OG1 THR A 72 1.158 10.811 4.839 1.00 0.00 O ATOM 937 CG2 THR A 72 2.404 10.926 2.860 1.00 0.00 C ATOM 0 H THR A 72 3.410 7.616 5.521 1.00 0.00 H new ATOM 0 HA THR A 72 1.139 8.532 4.051 1.00 0.00 H new ATOM 0 HB THR A 72 3.253 10.500 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.007 10.377 5.705 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.494 12.007 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.275 10.539 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.502 10.691 2.294 1.00 0.00 H new ATOM 945 N LEU A 73 2.492 7.898 1.985 1.00 0.00 N ATOM 946 CA LEU A 73 3.107 7.194 0.849 1.00 0.00 C ATOM 947 C LEU A 73 3.562 8.118 -0.297 1.00 0.00 C ATOM 948 O LEU A 73 3.247 9.311 -0.319 1.00 0.00 O ATOM 949 CB LEU A 73 2.110 6.107 0.378 1.00 0.00 C ATOM 950 CG LEU A 73 0.788 6.610 -0.254 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.926 6.959 -1.742 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.295 5.534 -0.124 1.00 0.00 C ATOM 0 H LEU A 73 1.556 8.242 1.770 1.00 0.00 H new ATOM 0 HA LEU A 73 4.038 6.737 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.616 5.472 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.862 5.478 1.233 1.00 0.00 H new ATOM 0 HG LEU A 73 0.520 7.517 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.034 7.305 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.670 7.746 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.240 6.074 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.222 5.895 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.028 4.629 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.463 5.312 0.930 1.00 0.00 H new ATOM 963 N ALA A 74 4.221 7.533 -1.303 1.00 0.00 N ATOM 964 CA ALA A 74 4.247 8.039 -2.681 1.00 0.00 C ATOM 965 C ALA A 74 4.263 6.881 -3.697 1.00 0.00 C ATOM 966 O ALA A 74 4.961 5.881 -3.507 1.00 0.00 O ATOM 967 CB ALA A 74 5.408 9.023 -2.890 1.00 0.00 C ATOM 0 H ALA A 74 4.762 6.677 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 74 3.328 8.598 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.401 9.380 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.295 9.869 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.353 8.519 -2.687 1.00 0.00 H new ATOM 973 N GLU A 75 3.482 7.028 -4.771 1.00 0.00 N ATOM 974 CA GLU A 75 3.241 6.042 -5.826 1.00 0.00 C ATOM 975 C GLU A 75 3.864 6.569 -7.140 1.00 0.00 C ATOM 976 O GLU A 75 3.250 7.414 -7.804 1.00 0.00 O ATOM 977 CB GLU A 75 1.716 5.831 -5.937 1.00 0.00 C ATOM 978 CG GLU A 75 1.322 4.652 -6.834 1.00 0.00 C ATOM 979 CD GLU A 75 -0.193 4.585 -7.033 1.00 0.00 C ATOM 980 OE1 GLU A 75 -0.747 5.472 -7.729 1.00 0.00 O ATOM 981 OE2 GLU A 75 -0.823 3.635 -6.511 1.00 0.00 O ATOM 0 H GLU A 75 2.969 7.894 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 75 3.702 5.079 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.307 5.670 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.259 6.741 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.814 4.749 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.674 3.721 -6.389 1.00 0.00 H new ATOM 986 N PRO A 76 5.098 6.155 -7.494 1.00 0.00 N ATOM 987 CA PRO A 76 5.890 6.778 -8.563 1.00 0.00 C ATOM 988 C PRO A 76 5.681 6.178 -9.962 1.00 0.00 C ATOM 989 O PRO A 76 5.578 4.936 -10.098 1.00 0.00 O ATOM 990 CB PRO A 76 7.345 6.599 -8.120 1.00 0.00 C ATOM 991 CG PRO A 76 7.312 5.264 -7.387 1.00 0.00 C ATOM 992 CD PRO A 76 5.960 5.303 -6.684 1.00 0.00 C ATOM 0 HA PRO A 76 5.583 7.817 -8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.027 6.577 -8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.673 7.410 -7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.387 4.422 -8.075 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.135 5.170 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.541 4.301 -6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.059 5.700 -5.674 1.00 0.00 H new