USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 75 HIS : no HE2:sc= -4.23! C(o=-4.2!,f=-7.5!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= 0 F(o=-8.6!,f=-4.2) USER MOD Set 2.1: A 25 ASN : amide:sc=-0.00602 K(o=-0.34,f=-2.9!) USER MOD Set 2.2: A 66 GLN : amide:sc= -0.33 X(o=-0.34,f=-0.29) USER MOD Single : A 1 SER N :NH3+ 141:sc= 0.322 (180deg=0.00303) USER MOD Single : A 1 SER OG : rot 180:sc= 0.147 USER MOD Single : A 2 THR OG1 : rot -101:sc= -0.321 USER MOD Single : A 8 LYS NZ :NH3+ -126:sc= -0.0191 (180deg=-0.5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0335 X(o=-0.033,f=-0.19) USER MOD Single : A 14 GLN : amide:sc= -4.32! C(o=-4.3!,f=-6.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 24 ASN : amide:sc= -0.388 K(o=-0.39,f=-5.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.247 -9.921 -11.135 1.00 0.00 N ATOM 2 CA SER A 1 -8.543 -9.360 -9.994 1.00 0.00 C ATOM 3 C SER A 1 -7.033 -9.504 -10.188 1.00 0.00 C ATOM 4 O SER A 1 -6.347 -10.083 -9.347 1.00 0.00 O ATOM 5 CB SER A 1 -8.978 -10.037 -8.692 1.00 0.00 C ATOM 6 OG SER A 1 -10.216 -10.727 -8.837 1.00 0.00 O ATOM 0 H1 SER A 1 -10.098 -10.421 -10.806 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.523 -9.156 -11.783 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.624 -10.588 -11.633 1.00 0.00 H new ATOM 0 HA SER A 1 -8.794 -8.302 -9.924 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.207 -10.739 -8.373 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.071 -9.287 -7.907 1.00 0.00 H new ATOM 0 HG SER A 1 -10.458 -11.147 -7.985 1.00 0.00 H new ATOM 12 N THR A 2 -6.558 -8.967 -11.302 1.00 0.00 N ATOM 13 CA THR A 2 -5.141 -9.028 -11.618 1.00 0.00 C ATOM 14 C THR A 2 -4.324 -8.305 -10.545 1.00 0.00 C ATOM 15 O THR A 2 -4.886 -7.736 -9.610 1.00 0.00 O ATOM 16 CB THR A 2 -4.943 -8.452 -13.022 1.00 0.00 C ATOM 17 OG1 THR A 2 -5.550 -7.164 -12.957 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.761 -9.196 -14.080 1.00 0.00 C ATOM 0 H THR A 2 -7.130 -8.487 -11.997 1.00 0.00 H new ATOM 0 HA THR A 2 -4.781 -10.057 -11.619 1.00 0.00 H new ATOM 0 HB THR A 2 -3.886 -8.492 -13.285 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.436 -7.198 -13.375 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.585 -8.748 -15.058 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.461 -10.244 -14.102 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.821 -9.127 -13.835 1.00 0.00 H new ATOM 26 N ILE A 3 -3.011 -8.352 -10.715 1.00 0.00 N ATOM 27 CA ILE A 3 -2.111 -7.709 -9.772 1.00 0.00 C ATOM 28 C ILE A 3 -2.564 -6.265 -9.545 1.00 0.00 C ATOM 29 O ILE A 3 -3.132 -5.946 -8.501 1.00 0.00 O ATOM 30 CB ILE A 3 -0.661 -7.831 -10.247 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.008 -9.071 -9.652 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.124 -6.553 -9.943 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.756 -8.725 -8.363 1.00 0.00 C ATOM 0 H ILE A 3 -2.549 -8.825 -11.491 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.149 -8.211 -8.805 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.665 -7.956 -11.330 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.745 -9.832 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.702 -9.497 -10.376 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.151 -6.666 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.341 -5.710 -10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.122 -6.372 -8.868 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.222 -9.624 -7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.524 -7.982 -8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.055 -8.322 -7.632 1.00 0.00 H new ATOM 45 N GLU A 4 -2.296 -5.431 -10.538 1.00 0.00 N ATOM 46 CA GLU A 4 -2.669 -4.029 -10.460 1.00 0.00 C ATOM 47 C GLU A 4 -4.099 -3.889 -9.933 1.00 0.00 C ATOM 48 O GLU A 4 -4.411 -2.936 -9.220 1.00 0.00 O ATOM 49 CB GLU A 4 -2.516 -3.343 -11.819 1.00 0.00 C ATOM 50 CG GLU A 4 -3.345 -2.059 -11.882 1.00 0.00 C ATOM 51 CD GLU A 4 -3.113 -1.321 -13.202 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.018 -0.783 -13.428 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.119 -1.319 -14.009 1.00 0.00 O ATOM 0 H GLU A 4 -1.825 -5.699 -11.402 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.995 -3.533 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.466 -3.111 -11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.831 -4.023 -12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.403 -2.299 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.081 -1.410 -11.047 1.00 0.00 H new ATOM 61 N GLU A 5 -4.929 -4.852 -10.305 1.00 0.00 N ATOM 62 CA GLU A 5 -6.318 -4.848 -9.879 1.00 0.00 C ATOM 63 C GLU A 5 -6.407 -4.708 -8.358 1.00 0.00 C ATOM 64 O GLU A 5 -6.663 -3.620 -7.845 1.00 0.00 O ATOM 65 CB GLU A 5 -7.041 -6.109 -10.356 1.00 0.00 C ATOM 66 CG GLU A 5 -8.289 -5.752 -11.167 1.00 0.00 C ATOM 67 CD GLU A 5 -7.909 -5.106 -12.502 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.702 -5.817 -13.497 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.833 -3.819 -12.482 1.00 0.00 O ATOM 0 H GLU A 5 -4.666 -5.640 -10.897 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.814 -3.990 -10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.367 -6.711 -10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.323 -6.718 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.879 -6.651 -11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.917 -5.069 -10.594 1.00 0.00 H new ATOM 77 N ARG A 6 -6.189 -5.825 -7.679 1.00 0.00 N ATOM 78 CA ARG A 6 -6.241 -5.840 -6.227 1.00 0.00 C ATOM 79 C ARG A 6 -5.446 -4.665 -5.655 1.00 0.00 C ATOM 80 O ARG A 6 -5.865 -4.043 -4.680 1.00 0.00 O ATOM 81 CB ARG A 6 -5.677 -7.148 -5.669 1.00 0.00 C ATOM 82 CG ARG A 6 -6.544 -8.340 -6.083 1.00 0.00 C ATOM 83 CD ARG A 6 -6.459 -9.464 -5.049 1.00 0.00 C ATOM 84 NE ARG A 6 -7.782 -9.672 -4.418 1.00 0.00 N ATOM 85 CZ ARG A 6 -8.107 -10.755 -3.681 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.206 -11.739 -3.475 1.00 0.00 N ATOM 87 NH2 ARG A 6 -9.319 -10.837 -3.164 1.00 0.00 N ATOM 0 H ARG A 6 -5.976 -6.726 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.287 -5.753 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.658 -7.292 -6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.625 -7.091 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.580 -8.020 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.219 -8.710 -7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.126 -10.385 -5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.719 -9.215 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.492 -8.952 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.272 -11.667 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.460 -12.554 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.993 -10.089 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.581 -11.649 -2.605 1.00 0.00 H new ATOM 100 N VAL A 7 -4.312 -4.396 -6.286 1.00 0.00 N ATOM 101 CA VAL A 7 -3.455 -3.306 -5.852 1.00 0.00 C ATOM 102 C VAL A 7 -4.291 -2.034 -5.702 1.00 0.00 C ATOM 103 O VAL A 7 -4.505 -1.556 -4.589 1.00 0.00 O ATOM 104 CB VAL A 7 -2.285 -3.142 -6.825 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.392 -1.969 -6.414 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.476 -4.436 -6.934 1.00 0.00 C ATOM 0 H VAL A 7 -3.967 -4.914 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.021 -3.526 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.696 -2.921 -7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.568 -1.874 -7.121 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.977 -1.049 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.994 -2.147 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.651 -4.292 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.080 -4.701 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.120 -5.238 -7.294 1.00 0.00 H new ATOM 116 N LYS A 8 -4.740 -1.521 -6.838 1.00 0.00 N ATOM 117 CA LYS A 8 -5.548 -0.313 -6.846 1.00 0.00 C ATOM 118 C LYS A 8 -6.557 -0.372 -5.698 1.00 0.00 C ATOM 119 O LYS A 8 -6.672 0.573 -4.919 1.00 0.00 O ATOM 120 CB LYS A 8 -6.189 -0.108 -8.220 1.00 0.00 C ATOM 121 CG LYS A 8 -5.355 0.845 -9.078 1.00 0.00 C ATOM 122 CD LYS A 8 -4.769 0.120 -10.291 1.00 0.00 C ATOM 123 CE LYS A 8 -5.516 0.499 -11.571 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.224 1.901 -11.946 1.00 0.00 N ATOM 0 H LYS A 8 -4.560 -1.920 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.924 0.565 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.286 -1.068 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.196 0.292 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.975 1.677 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.549 1.269 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.713 0.371 -10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.827 -0.958 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.223 -0.169 -12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.589 0.371 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.116 2.423 -12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.655 2.349 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.695 1.918 -12.841 1.00 0.00 H new ATOM 137 N LYS A 9 -7.263 -1.491 -5.630 1.00 0.00 N ATOM 138 CA LYS A 9 -8.259 -1.686 -4.590 1.00 0.00 C ATOM 139 C LYS A 9 -7.650 -1.328 -3.233 1.00 0.00 C ATOM 140 O LYS A 9 -8.086 -0.378 -2.584 1.00 0.00 O ATOM 141 CB LYS A 9 -8.830 -3.104 -4.653 1.00 0.00 C ATOM 142 CG LYS A 9 -10.353 -3.089 -4.508 1.00 0.00 C ATOM 143 CD LYS A 9 -10.763 -2.857 -3.052 1.00 0.00 C ATOM 144 CE LYS A 9 -12.283 -2.920 -2.894 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.656 -2.929 -1.462 1.00 0.00 N ATOM 0 H LYS A 9 -7.165 -2.272 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.107 -1.019 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.556 -3.568 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.392 -3.712 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.774 -2.305 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.765 -4.035 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.296 -3.608 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.399 -1.885 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.742 -2.065 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.668 -3.815 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.691 -2.972 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.234 -3.759 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.305 -2.062 -1.006 1.00 0.00 H new ATOM 158 N ILE A 10 -6.652 -2.107 -2.844 1.00 0.00 N ATOM 159 CA ILE A 10 -5.978 -1.884 -1.576 1.00 0.00 C ATOM 160 C ILE A 10 -5.690 -0.391 -1.412 1.00 0.00 C ATOM 161 O ILE A 10 -6.110 0.222 -0.432 1.00 0.00 O ATOM 162 CB ILE A 10 -4.733 -2.767 -1.468 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.115 -4.245 -1.377 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.850 -2.329 -0.298 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.370 -4.657 0.074 1.00 0.00 C ATOM 0 H ILE A 10 -6.293 -2.894 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.621 -2.178 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.146 -2.643 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.008 -4.431 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.317 -4.857 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.972 -2.973 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.534 -1.297 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.414 -2.405 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.640 -5.712 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.468 -4.493 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.185 -4.060 0.484 1.00 0.00 H new ATOM 177 N ILE A 11 -4.974 0.152 -2.387 1.00 0.00 N ATOM 178 CA ILE A 11 -4.625 1.562 -2.363 1.00 0.00 C ATOM 179 C ILE A 11 -5.886 2.391 -2.115 1.00 0.00 C ATOM 180 O ILE A 11 -5.843 3.397 -1.407 1.00 0.00 O ATOM 181 CB ILE A 11 -3.875 1.950 -3.639 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.440 1.420 -3.614 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.925 3.462 -3.866 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.154 0.552 -4.841 1.00 0.00 C ATOM 0 H ILE A 11 -4.627 -0.360 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.939 1.771 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.376 1.481 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.741 2.255 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.280 0.838 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.385 3.711 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.963 3.782 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.463 3.972 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.127 0.188 -4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.839 -0.296 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.292 1.144 -5.746 1.00 0.00 H new ATOM 196 N GLY A 12 -6.980 1.939 -2.711 1.00 0.00 N ATOM 197 CA GLY A 12 -8.251 2.627 -2.563 1.00 0.00 C ATOM 198 C GLY A 12 -8.774 2.512 -1.130 1.00 0.00 C ATOM 199 O GLY A 12 -9.643 3.279 -0.718 1.00 0.00 O ATOM 0 H GLY A 12 -7.012 1.105 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.133 3.678 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.980 2.205 -3.255 1.00 0.00 H new ATOM 203 N GLN A 13 -8.222 1.547 -0.408 1.00 0.00 N ATOM 204 CA GLN A 13 -8.622 1.322 0.970 1.00 0.00 C ATOM 205 C GLN A 13 -7.668 2.044 1.924 1.00 0.00 C ATOM 206 O GLN A 13 -8.047 2.391 3.042 1.00 0.00 O ATOM 207 CB GLN A 13 -8.684 -0.174 1.286 1.00 0.00 C ATOM 208 CG GLN A 13 -10.053 -0.559 1.850 1.00 0.00 C ATOM 209 CD GLN A 13 -9.906 -1.401 3.119 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.195 -1.053 4.047 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.616 -2.525 3.107 1.00 0.00 N ATOM 0 H GLN A 13 -7.501 0.913 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.623 1.731 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.485 -0.749 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.906 -0.430 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.626 0.342 2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.615 -1.118 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.191 -2.756 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.586 -3.156 3.908 1.00 0.00 H new ATOM 220 N GLN A 14 -6.448 2.248 1.448 1.00 0.00 N ATOM 221 CA GLN A 14 -5.437 2.922 2.245 1.00 0.00 C ATOM 222 C GLN A 14 -5.911 4.326 2.626 1.00 0.00 C ATOM 223 O GLN A 14 -5.665 4.787 3.740 1.00 0.00 O ATOM 224 CB GLN A 14 -4.101 2.978 1.502 1.00 0.00 C ATOM 225 CG GLN A 14 -3.638 1.576 1.101 1.00 0.00 C ATOM 226 CD GLN A 14 -2.203 1.604 0.568 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.355 2.345 1.036 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.982 0.757 -0.433 1.00 0.00 N ATOM 0 H GLN A 14 -6.137 1.958 0.521 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.283 2.350 3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.201 3.600 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.348 3.446 2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.697 0.910 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.305 1.173 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.738 0.165 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.056 0.700 -0.857 1.00 0.00 H new ATOM 237 N LEU A 15 -6.582 4.967 1.681 1.00 0.00 N ATOM 238 CA LEU A 15 -7.093 6.309 1.904 1.00 0.00 C ATOM 239 C LEU A 15 -8.614 6.305 1.741 1.00 0.00 C ATOM 240 O LEU A 15 -9.346 6.493 2.711 1.00 0.00 O ATOM 241 CB LEU A 15 -6.380 7.312 0.994 1.00 0.00 C ATOM 242 CG LEU A 15 -4.851 7.310 1.062 1.00 0.00 C ATOM 243 CD1 LEU A 15 -4.261 8.391 0.155 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.367 7.447 2.507 1.00 0.00 C ATOM 0 H LEU A 15 -6.784 4.582 0.758 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.882 6.632 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.678 7.114 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.734 8.313 1.242 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.493 6.349 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.173 8.368 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.565 8.207 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.624 9.369 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.277 7.443 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.734 8.384 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.744 6.612 3.098 1.00 0.00 H new ATOM 256 N GLY A 16 -9.045 6.087 0.507 1.00 0.00 N ATOM 257 CA GLY A 16 -10.466 6.056 0.205 1.00 0.00 C ATOM 258 C GLY A 16 -10.777 6.870 -1.053 1.00 0.00 C ATOM 259 O GLY A 16 -11.662 7.724 -1.041 1.00 0.00 O ATOM 0 H GLY A 16 -8.435 5.930 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.789 5.025 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.030 6.454 1.049 1.00 0.00 H new ATOM 263 N VAL A 17 -10.031 6.576 -2.108 1.00 0.00 N ATOM 264 CA VAL A 17 -10.217 7.269 -3.372 1.00 0.00 C ATOM 265 C VAL A 17 -10.862 6.318 -4.381 1.00 0.00 C ATOM 266 O VAL A 17 -11.138 5.162 -4.062 1.00 0.00 O ATOM 267 CB VAL A 17 -8.882 7.840 -3.856 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.412 8.979 -2.950 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.820 6.743 -3.953 1.00 0.00 C ATOM 0 H VAL A 17 -9.297 5.868 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.892 8.116 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.035 8.248 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.461 9.367 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.155 9.777 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.284 8.606 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.881 7.175 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.672 6.292 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.149 5.979 -4.657 1.00 0.00 H new ATOM 279 N LYS A 18 -11.083 6.839 -5.579 1.00 0.00 N ATOM 280 CA LYS A 18 -11.691 6.050 -6.637 1.00 0.00 C ATOM 281 C LYS A 18 -10.598 5.537 -7.577 1.00 0.00 C ATOM 282 O LYS A 18 -9.457 5.341 -7.160 1.00 0.00 O ATOM 283 CB LYS A 18 -12.783 6.854 -7.346 1.00 0.00 C ATOM 284 CG LYS A 18 -14.074 6.041 -7.463 1.00 0.00 C ATOM 285 CD LYS A 18 -14.421 5.771 -8.929 1.00 0.00 C ATOM 286 CE LYS A 18 -15.925 5.553 -9.105 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.626 6.852 -9.221 1.00 0.00 N ATOM 0 H LYS A 18 -10.852 7.797 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.191 5.176 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.977 7.774 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.440 7.143 -8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.962 5.096 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.892 6.580 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.097 6.611 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.879 4.892 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.110 4.952 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.320 4.994 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.646 6.687 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.464 7.412 -8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.261 7.371 -10.045 1.00 0.00 H new ATOM 300 N GLN A 19 -10.984 5.334 -8.828 1.00 0.00 N ATOM 301 CA GLN A 19 -10.051 4.847 -9.830 1.00 0.00 C ATOM 302 C GLN A 19 -9.522 6.010 -10.671 1.00 0.00 C ATOM 303 O GLN A 19 -8.347 6.034 -11.033 1.00 0.00 O ATOM 304 CB GLN A 19 -10.703 3.783 -10.715 1.00 0.00 C ATOM 305 CG GLN A 19 -11.862 4.373 -11.520 1.00 0.00 C ATOM 306 CD GLN A 19 -12.395 3.362 -12.537 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.817 3.137 -13.588 1.00 0.00 O ATOM 308 NE2 GLN A 19 -13.525 2.767 -12.168 1.00 0.00 N ATOM 0 H GLN A 19 -11.931 5.498 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.209 4.381 -9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.960 3.365 -11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.066 2.963 -10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.664 4.671 -10.844 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.529 5.273 -12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.957 3.002 -11.274 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.960 2.076 -12.779 1.00 0.00 H new ATOM 317 N GLU A 20 -10.415 6.946 -10.957 1.00 0.00 N ATOM 318 CA GLU A 20 -10.052 8.110 -11.749 1.00 0.00 C ATOM 319 C GLU A 20 -9.181 9.061 -10.926 1.00 0.00 C ATOM 320 O GLU A 20 -8.524 9.941 -11.479 1.00 0.00 O ATOM 321 CB GLU A 20 -11.298 8.824 -12.276 1.00 0.00 C ATOM 322 CG GLU A 20 -11.108 9.253 -13.733 1.00 0.00 C ATOM 323 CD GLU A 20 -12.088 10.367 -14.108 1.00 0.00 C ATOM 324 OE1 GLU A 20 -11.672 11.520 -14.300 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.321 10.000 -14.199 1.00 0.00 O ATOM 0 H GLU A 20 -11.389 6.923 -10.655 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.475 7.774 -12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.161 8.163 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.509 9.698 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.085 9.597 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.256 8.396 -14.391 1.00 0.00 H new ATOM 333 N GLU A 21 -9.205 8.852 -9.618 1.00 0.00 N ATOM 334 CA GLU A 21 -8.426 9.681 -8.713 1.00 0.00 C ATOM 335 C GLU A 21 -7.141 8.958 -8.305 1.00 0.00 C ATOM 336 O GLU A 21 -6.233 9.568 -7.742 1.00 0.00 O ATOM 337 CB GLU A 21 -9.248 10.073 -7.484 1.00 0.00 C ATOM 338 CG GLU A 21 -9.804 11.492 -7.626 1.00 0.00 C ATOM 339 CD GLU A 21 -9.473 12.336 -6.393 1.00 0.00 C ATOM 340 OE1 GLU A 21 -9.824 11.952 -5.267 1.00 0.00 O ATOM 341 OE2 GLU A 21 -8.826 13.425 -6.635 1.00 0.00 O ATOM 0 H GLU A 21 -9.751 8.121 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.154 10.598 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.069 9.368 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.626 10.010 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.387 11.963 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.884 11.451 -7.764 1.00 0.00 H new ATOM 349 N VAL A 22 -7.105 7.668 -8.605 1.00 0.00 N ATOM 350 CA VAL A 22 -5.946 6.855 -8.277 1.00 0.00 C ATOM 351 C VAL A 22 -5.422 6.185 -9.548 1.00 0.00 C ATOM 352 O VAL A 22 -4.933 5.057 -9.503 1.00 0.00 O ATOM 353 CB VAL A 22 -6.304 5.854 -7.177 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.750 4.518 -7.775 1.00 0.00 C ATOM 355 CG2 VAL A 22 -5.133 5.658 -6.212 1.00 0.00 C ATOM 0 H VAL A 22 -7.860 7.166 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.142 7.477 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.140 6.264 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.999 3.825 -6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.627 4.675 -8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.943 4.101 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.414 4.942 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.269 5.281 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.880 6.611 -5.748 1.00 0.00 H new ATOM 365 N THR A 23 -5.541 6.908 -10.652 1.00 0.00 N ATOM 366 CA THR A 23 -5.085 6.397 -11.934 1.00 0.00 C ATOM 367 C THR A 23 -3.795 5.593 -11.759 1.00 0.00 C ATOM 368 O THR A 23 -3.054 5.803 -10.801 1.00 0.00 O ATOM 369 CB THR A 23 -4.938 7.582 -12.890 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.016 8.447 -12.232 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.219 8.413 -12.994 1.00 0.00 C ATOM 0 H THR A 23 -5.946 7.843 -10.685 1.00 0.00 H new ATOM 0 HA THR A 23 -5.808 5.703 -12.363 1.00 0.00 H new ATOM 0 HB THR A 23 -4.660 7.218 -13.879 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.862 9.242 -12.784 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.060 9.241 -13.685 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.031 7.785 -13.360 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.479 8.805 -12.011 1.00 0.00 H new ATOM 379 N ASN A 24 -3.566 4.690 -12.701 1.00 0.00 N ATOM 380 CA ASN A 24 -2.379 3.854 -12.664 1.00 0.00 C ATOM 381 C ASN A 24 -1.169 4.710 -12.284 1.00 0.00 C ATOM 382 O ASN A 24 -0.513 4.452 -11.276 1.00 0.00 O ATOM 383 CB ASN A 24 -2.103 3.227 -14.032 1.00 0.00 C ATOM 384 CG ASN A 24 -2.568 4.148 -15.161 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.720 4.543 -15.241 1.00 0.00 O ATOM 386 ND2 ASN A 24 -1.610 4.468 -16.027 1.00 0.00 N ATOM 0 H ASN A 24 -4.183 4.519 -13.495 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.547 3.064 -11.932 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.036 3.028 -14.136 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.615 2.268 -14.106 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.820 5.079 -16.817 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.666 4.103 -15.901 1.00 0.00 H new ATOM 393 N ASN A 25 -0.911 5.713 -13.111 1.00 0.00 N ATOM 394 CA ASN A 25 0.208 6.609 -12.874 1.00 0.00 C ATOM 395 C ASN A 25 -0.253 7.774 -11.996 1.00 0.00 C ATOM 396 O ASN A 25 0.083 8.927 -12.262 1.00 0.00 O ATOM 397 CB ASN A 25 0.738 7.187 -14.188 1.00 0.00 C ATOM 398 CG ASN A 25 1.707 6.215 -14.864 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.801 5.049 -14.517 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.421 6.758 -15.846 1.00 0.00 N ATOM 0 H ASN A 25 -1.458 5.925 -13.946 1.00 0.00 H new ATOM 0 HA ASN A 25 0.999 6.039 -12.386 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.095 7.400 -14.858 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.242 8.134 -13.996 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.096 6.191 -16.359 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.293 7.741 -16.086 1.00 0.00 H new ATOM 407 N ALA A 26 -1.017 7.432 -10.969 1.00 0.00 N ATOM 408 CA ALA A 26 -1.528 8.436 -10.051 1.00 0.00 C ATOM 409 C ALA A 26 -0.393 8.919 -9.146 1.00 0.00 C ATOM 410 O ALA A 26 0.633 8.252 -9.021 1.00 0.00 O ATOM 411 CB ALA A 26 -2.698 7.852 -9.256 1.00 0.00 C ATOM 0 H ALA A 26 -1.294 6.475 -10.752 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.904 9.300 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.082 8.605 -8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.490 7.551 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.357 6.984 -8.692 1.00 0.00 H new ATOM 417 N SER A 27 -0.614 10.076 -8.539 1.00 0.00 N ATOM 418 CA SER A 27 0.378 10.656 -7.650 1.00 0.00 C ATOM 419 C SER A 27 -0.070 10.503 -6.195 1.00 0.00 C ATOM 420 O SER A 27 -1.069 9.842 -5.916 1.00 0.00 O ATOM 421 CB SER A 27 0.616 12.131 -7.979 1.00 0.00 C ATOM 422 OG SER A 27 1.840 12.331 -8.680 1.00 0.00 O ATOM 0 H SER A 27 -1.466 10.627 -8.645 1.00 0.00 H new ATOM 0 HA SER A 27 1.318 10.123 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.212 12.506 -8.581 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.628 12.711 -7.056 1.00 0.00 H new ATOM 0 HG SER A 27 1.954 13.285 -8.873 1.00 0.00 H new ATOM 428 N PHE A 28 0.691 11.124 -5.307 1.00 0.00 N ATOM 429 CA PHE A 28 0.386 11.065 -3.887 1.00 0.00 C ATOM 430 C PHE A 28 0.458 12.455 -3.252 1.00 0.00 C ATOM 431 O PHE A 28 -0.541 12.963 -2.746 1.00 0.00 O ATOM 432 CB PHE A 28 1.441 10.166 -3.240 1.00 0.00 C ATOM 433 CG PHE A 28 0.954 8.744 -2.952 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.390 8.004 -3.943 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.086 8.220 -1.703 1.00 0.00 C ATOM 436 CE1 PHE A 28 -0.062 6.685 -3.676 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.635 6.901 -1.436 1.00 0.00 C ATOM 438 CZ PHE A 28 0.070 6.161 -2.428 1.00 0.00 C ATOM 0 H PHE A 28 1.519 11.671 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.623 10.680 -3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.311 10.116 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.770 10.623 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.286 8.420 -4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.534 8.808 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.511 6.098 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.740 6.485 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.274 5.158 -2.224 1.00 0.00 H new ATOM 448 N VAL A 29 1.651 13.031 -3.300 1.00 0.00 N ATOM 449 CA VAL A 29 1.867 14.352 -2.735 1.00 0.00 C ATOM 450 C VAL A 29 1.081 15.383 -3.547 1.00 0.00 C ATOM 451 O VAL A 29 0.782 16.470 -3.054 1.00 0.00 O ATOM 452 CB VAL A 29 3.365 14.656 -2.673 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.623 16.007 -2.003 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.123 13.535 -1.959 1.00 0.00 C ATOM 0 H VAL A 29 2.477 12.607 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 29 1.498 14.395 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 29 3.738 14.713 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.696 16.199 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.130 16.795 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.228 15.991 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.186 13.776 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.745 13.431 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.979 12.598 -2.497 1.00 0.00 H new ATOM 464 N GLU A 30 0.767 15.006 -4.778 1.00 0.00 N ATOM 465 CA GLU A 30 0.022 15.885 -5.663 1.00 0.00 C ATOM 466 C GLU A 30 -1.400 15.355 -5.862 1.00 0.00 C ATOM 467 O GLU A 30 -2.286 16.091 -6.294 1.00 0.00 O ATOM 468 CB GLU A 30 0.739 16.050 -7.004 1.00 0.00 C ATOM 469 CG GLU A 30 1.487 17.383 -7.065 1.00 0.00 C ATOM 470 CD GLU A 30 1.410 17.991 -8.467 1.00 0.00 C ATOM 471 OE1 GLU A 30 0.478 18.754 -8.761 1.00 0.00 O ATOM 472 OE2 GLU A 30 2.365 17.647 -9.264 1.00 0.00 O ATOM 0 H GLU A 30 1.015 14.103 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.039 16.869 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.440 15.228 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.015 15.998 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.061 18.077 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.530 17.232 -6.787 1.00 0.00 H new ATOM 480 N ASP A 31 -1.573 14.082 -5.539 1.00 0.00 N ATOM 481 CA ASP A 31 -2.872 13.445 -5.677 1.00 0.00 C ATOM 482 C ASP A 31 -3.582 13.444 -4.322 1.00 0.00 C ATOM 483 O ASP A 31 -4.608 14.101 -4.154 1.00 0.00 O ATOM 484 CB ASP A 31 -2.727 11.993 -6.136 1.00 0.00 C ATOM 485 CG ASP A 31 -3.963 11.404 -6.819 1.00 0.00 C ATOM 486 OD1 ASP A 31 -3.867 10.782 -7.887 1.00 0.00 O ATOM 487 OD2 ASP A 31 -5.077 11.608 -6.200 1.00 0.00 O ATOM 0 H ASP A 31 -0.836 13.474 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.444 14.003 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.884 11.928 -6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.480 11.377 -5.271 1.00 0.00 H new ATOM 493 N LEU A 32 -3.007 12.699 -3.389 1.00 0.00 N ATOM 494 CA LEU A 32 -3.572 12.604 -2.054 1.00 0.00 C ATOM 495 C LEU A 32 -2.724 13.433 -1.086 1.00 0.00 C ATOM 496 O LEU A 32 -2.642 13.117 0.100 1.00 0.00 O ATOM 497 CB LEU A 32 -3.723 11.140 -1.639 1.00 0.00 C ATOM 498 CG LEU A 32 -5.020 10.451 -2.068 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.187 10.875 -1.174 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.311 10.705 -3.549 1.00 0.00 C ATOM 0 H LEU A 32 -2.156 12.156 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.579 13.022 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.884 10.578 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.646 11.081 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.893 9.375 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.097 10.371 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.972 10.602 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.325 11.954 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.238 10.205 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.411 11.777 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.492 10.315 -4.153 1.00 0.00 H new ATOM 512 N GLY A 33 -2.115 14.477 -1.628 1.00 0.00 N ATOM 513 CA GLY A 33 -1.277 15.354 -0.828 1.00 0.00 C ATOM 514 C GLY A 33 -0.359 14.545 0.091 1.00 0.00 C ATOM 515 O GLY A 33 0.096 15.047 1.118 1.00 0.00 O ATOM 0 H GLY A 33 -2.185 14.736 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.677 15.986 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.903 16.017 -0.231 1.00 0.00 H new ATOM 519 N ALA A 34 -0.113 13.307 -0.312 1.00 0.00 N ATOM 520 CA ALA A 34 0.743 12.424 0.462 1.00 0.00 C ATOM 521 C ALA A 34 0.271 12.411 1.918 1.00 0.00 C ATOM 522 O ALA A 34 0.575 13.327 2.681 1.00 0.00 O ATOM 523 CB ALA A 34 2.198 12.875 0.325 1.00 0.00 C ATOM 0 H ALA A 34 -0.492 12.894 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 34 0.681 11.403 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.840 12.213 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.493 12.839 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.299 13.895 0.695 1.00 0.00 H new ATOM 529 N ASP A 35 -0.463 11.363 2.259 1.00 0.00 N ATOM 530 CA ASP A 35 -0.980 11.218 3.610 1.00 0.00 C ATOM 531 C ASP A 35 -0.167 10.155 4.351 1.00 0.00 C ATOM 532 O ASP A 35 0.120 9.093 3.801 1.00 0.00 O ATOM 533 CB ASP A 35 -2.443 10.770 3.595 1.00 0.00 C ATOM 534 CG ASP A 35 -3.405 11.726 2.886 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.013 12.818 2.448 1.00 0.00 O ATOM 536 OD2 ASP A 35 -4.620 11.304 2.791 1.00 0.00 O ATOM 0 H ASP A 35 -0.713 10.605 1.623 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.905 12.186 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.504 9.794 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.778 10.639 4.624 1.00 0.00 H new ATOM 542 N SER A 36 0.181 10.477 5.588 1.00 0.00 N ATOM 543 CA SER A 36 0.955 9.563 6.410 1.00 0.00 C ATOM 544 C SER A 36 0.316 8.173 6.391 1.00 0.00 C ATOM 545 O SER A 36 1.014 7.166 6.282 1.00 0.00 O ATOM 546 CB SER A 36 1.067 10.075 7.847 1.00 0.00 C ATOM 547 OG SER A 36 2.316 10.719 8.088 1.00 0.00 O ATOM 0 H SER A 36 -0.059 11.359 6.041 1.00 0.00 H new ATOM 0 HA SER A 36 1.961 9.499 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.254 10.773 8.048 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.949 9.241 8.539 1.00 0.00 H new ATOM 0 HG SER A 36 2.348 11.033 9.016 1.00 0.00 H new ATOM 553 N LEU A 37 -1.005 8.162 6.498 1.00 0.00 N ATOM 554 CA LEU A 37 -1.746 6.912 6.494 1.00 0.00 C ATOM 555 C LEU A 37 -1.498 6.181 5.173 1.00 0.00 C ATOM 556 O LEU A 37 -1.623 4.960 5.103 1.00 0.00 O ATOM 557 CB LEU A 37 -3.226 7.166 6.788 1.00 0.00 C ATOM 558 CG LEU A 37 -3.529 8.001 8.034 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.911 8.649 7.937 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.376 7.164 9.305 1.00 0.00 C ATOM 0 H LEU A 37 -1.581 8.999 6.588 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.394 6.258 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.667 7.665 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.726 6.203 6.890 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.799 8.808 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.101 9.237 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.947 9.300 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.671 7.873 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.597 7.781 10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.068 6.322 9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.354 6.791 9.374 1.00 0.00 H new ATOM 572 N ASP A 38 -1.150 6.960 4.159 1.00 0.00 N ATOM 573 CA ASP A 38 -0.883 6.402 2.844 1.00 0.00 C ATOM 574 C ASP A 38 0.472 5.691 2.862 1.00 0.00 C ATOM 575 O ASP A 38 0.560 4.507 2.541 1.00 0.00 O ATOM 576 CB ASP A 38 -0.827 7.500 1.781 1.00 0.00 C ATOM 577 CG ASP A 38 -1.564 7.179 0.479 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.244 6.147 0.368 1.00 0.00 O ATOM 579 OD2 ASP A 38 -1.417 8.050 -0.460 1.00 0.00 O ATOM 0 H ASP A 38 -1.047 7.973 4.222 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.688 5.707 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.246 8.414 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.218 7.706 1.548 1.00 0.00 H new ATOM 585 N THR A 39 1.494 6.444 3.240 1.00 0.00 N ATOM 586 CA THR A 39 2.840 5.901 3.304 1.00 0.00 C ATOM 587 C THR A 39 2.905 4.755 4.315 1.00 0.00 C ATOM 588 O THR A 39 3.729 3.851 4.182 1.00 0.00 O ATOM 589 CB THR A 39 3.799 7.050 3.626 1.00 0.00 C ATOM 590 OG1 THR A 39 3.870 7.792 2.412 1.00 0.00 O ATOM 591 CG2 THR A 39 5.233 6.569 3.853 1.00 0.00 C ATOM 0 H THR A 39 1.417 7.426 3.505 1.00 0.00 H new ATOM 0 HA THR A 39 3.137 5.468 2.349 1.00 0.00 H new ATOM 0 HB THR A 39 3.449 7.578 4.513 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.470 8.558 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.872 7.423 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.254 5.870 4.689 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.596 6.071 2.954 1.00 0.00 H new ATOM 599 N VAL A 40 2.026 4.829 5.303 1.00 0.00 N ATOM 600 CA VAL A 40 1.973 3.808 6.336 1.00 0.00 C ATOM 601 C VAL A 40 1.165 2.614 5.826 1.00 0.00 C ATOM 602 O VAL A 40 1.557 1.465 6.022 1.00 0.00 O ATOM 603 CB VAL A 40 1.411 4.402 7.630 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.324 3.339 8.728 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.243 5.600 8.090 1.00 0.00 C ATOM 0 H VAL A 40 1.344 5.580 5.410 1.00 0.00 H new ATOM 0 HA VAL A 40 2.975 3.447 6.568 1.00 0.00 H new ATOM 0 HB VAL A 40 0.400 4.756 7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.922 3.787 9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.670 2.531 8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.319 2.941 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.822 6.003 9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.270 5.282 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.230 6.370 7.318 1.00 0.00 H new ATOM 615 N GLU A 41 0.050 2.926 5.181 1.00 0.00 N ATOM 616 CA GLU A 41 -0.817 1.892 4.641 1.00 0.00 C ATOM 617 C GLU A 41 -0.072 1.074 3.584 1.00 0.00 C ATOM 618 O GLU A 41 -0.435 -0.069 3.310 1.00 0.00 O ATOM 619 CB GLU A 41 -2.098 2.497 4.064 1.00 0.00 C ATOM 620 CG GLU A 41 -3.128 2.754 5.166 1.00 0.00 C ATOM 621 CD GLU A 41 -4.218 1.680 5.158 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.022 0.602 4.577 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.300 1.997 5.786 1.00 0.00 O ATOM 0 H GLU A 41 -0.273 3.880 5.020 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.104 1.224 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.865 3.432 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.519 1.823 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.632 2.767 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.579 3.736 5.025 1.00 0.00 H new ATOM 631 N LEU A 42 0.955 1.691 3.020 1.00 0.00 N ATOM 632 CA LEU A 42 1.754 1.034 1.999 1.00 0.00 C ATOM 633 C LEU A 42 2.681 0.013 2.662 1.00 0.00 C ATOM 634 O LEU A 42 3.056 -0.983 2.044 1.00 0.00 O ATOM 635 CB LEU A 42 2.489 2.069 1.145 1.00 0.00 C ATOM 636 CG LEU A 42 2.433 1.852 -0.368 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.367 2.741 -1.011 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.810 2.058 -1.003 1.00 0.00 C ATOM 0 H LEU A 42 1.253 2.639 3.250 1.00 0.00 H new ATOM 0 HA LEU A 42 1.114 0.484 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.076 3.053 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.535 2.086 1.451 1.00 0.00 H new ATOM 0 HG LEU A 42 2.144 0.818 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.348 2.567 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.391 2.503 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.601 3.788 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.742 1.898 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.152 3.074 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.518 1.349 -0.574 1.00 0.00 H new ATOM 650 N VAL A 43 3.024 0.295 3.910 1.00 0.00 N ATOM 651 CA VAL A 43 3.900 -0.586 4.663 1.00 0.00 C ATOM 652 C VAL A 43 3.087 -1.760 5.212 1.00 0.00 C ATOM 653 O VAL A 43 3.634 -2.829 5.477 1.00 0.00 O ATOM 654 CB VAL A 43 4.623 0.204 5.756 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.605 -0.688 6.519 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.333 1.426 5.171 1.00 0.00 C ATOM 0 H VAL A 43 2.711 1.122 4.419 1.00 0.00 H new ATOM 0 HA VAL A 43 4.673 -1.001 4.015 1.00 0.00 H new ATOM 0 HB VAL A 43 3.874 0.559 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.105 -0.102 7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.063 -1.511 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.347 -1.087 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.839 1.970 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.066 1.102 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.601 2.079 4.695 1.00 0.00 H new ATOM 666 N MET A 44 1.793 -1.521 5.366 1.00 0.00 N ATOM 667 CA MET A 44 0.898 -2.545 5.878 1.00 0.00 C ATOM 668 C MET A 44 0.213 -3.296 4.735 1.00 0.00 C ATOM 669 O MET A 44 0.080 -4.518 4.783 1.00 0.00 O ATOM 670 CB MET A 44 -0.162 -1.896 6.771 1.00 0.00 C ATOM 671 CG MET A 44 0.453 -1.399 8.080 1.00 0.00 C ATOM 672 SD MET A 44 -0.836 -0.982 9.241 1.00 0.00 S ATOM 673 CE MET A 44 0.121 -0.878 10.744 1.00 0.00 C ATOM 0 H MET A 44 1.343 -0.633 5.145 1.00 0.00 H new ATOM 0 HA MET A 44 1.485 -3.259 6.456 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.626 -1.062 6.244 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.951 -2.616 6.986 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.099 -2.168 8.503 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.078 -0.527 7.889 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.535 -0.624 11.576 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.598 -1.838 10.939 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.885 -0.108 10.636 1.00 0.00 H new ATOM 683 N ALA A 45 -0.203 -2.534 3.734 1.00 0.00 N ATOM 684 CA ALA A 45 -0.871 -3.113 2.581 1.00 0.00 C ATOM 685 C ALA A 45 0.027 -4.187 1.963 1.00 0.00 C ATOM 686 O ALA A 45 -0.418 -5.308 1.720 1.00 0.00 O ATOM 687 CB ALA A 45 -1.224 -2.006 1.586 1.00 0.00 C ATOM 0 H ALA A 45 -0.090 -1.521 3.698 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.803 -3.593 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.725 -2.440 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.886 -1.284 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.313 -1.503 1.263 1.00 0.00 H new ATOM 693 N LEU A 46 1.274 -3.807 1.727 1.00 0.00 N ATOM 694 CA LEU A 46 2.238 -4.724 1.142 1.00 0.00 C ATOM 695 C LEU A 46 2.534 -5.849 2.137 1.00 0.00 C ATOM 696 O LEU A 46 2.826 -6.975 1.737 1.00 0.00 O ATOM 697 CB LEU A 46 3.485 -3.968 0.680 1.00 0.00 C ATOM 698 CG LEU A 46 3.279 -2.969 -0.461 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.544 -2.841 -1.311 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.058 -3.343 -1.303 1.00 0.00 C ATOM 0 H LEU A 46 1.639 -2.877 1.930 1.00 0.00 H new ATOM 0 HA LEU A 46 1.826 -5.190 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.899 -3.433 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.233 -4.697 0.368 1.00 0.00 H new ATOM 0 HG LEU A 46 3.082 -1.989 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.371 -2.125 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.368 -2.494 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.795 -3.812 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.934 -2.617 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.200 -4.336 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.168 -3.343 -0.674 1.00 0.00 H new ATOM 712 N GLU A 47 2.448 -5.504 3.413 1.00 0.00 N ATOM 713 CA GLU A 47 2.703 -6.470 4.468 1.00 0.00 C ATOM 714 C GLU A 47 1.573 -7.500 4.529 1.00 0.00 C ATOM 715 O GLU A 47 1.825 -8.694 4.686 1.00 0.00 O ATOM 716 CB GLU A 47 2.883 -5.774 5.818 1.00 0.00 C ATOM 717 CG GLU A 47 4.337 -5.856 6.288 1.00 0.00 C ATOM 718 CD GLU A 47 4.437 -6.571 7.637 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.691 -7.528 7.888 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.332 -6.099 8.438 1.00 0.00 O ATOM 0 H GLU A 47 2.205 -4.569 3.740 1.00 0.00 H new ATOM 0 HA GLU A 47 3.632 -6.991 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.582 -4.730 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.231 -6.236 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.934 -6.387 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.753 -4.852 6.373 1.00 0.00 H new ATOM 728 N GLU A 48 0.353 -7.001 4.401 1.00 0.00 N ATOM 729 CA GLU A 48 -0.816 -7.863 4.439 1.00 0.00 C ATOM 730 C GLU A 48 -1.008 -8.558 3.089 1.00 0.00 C ATOM 731 O GLU A 48 -1.777 -9.512 2.982 1.00 0.00 O ATOM 732 CB GLU A 48 -2.067 -7.074 4.831 1.00 0.00 C ATOM 733 CG GLU A 48 -2.952 -7.886 5.779 1.00 0.00 C ATOM 734 CD GLU A 48 -4.338 -8.114 5.174 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.758 -7.360 4.284 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.986 -9.119 5.658 1.00 0.00 O ATOM 0 H GLU A 48 0.148 -6.010 4.271 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.654 -8.627 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.776 -6.139 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.631 -6.812 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.481 -8.846 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.048 -7.363 6.730 1.00 0.00 H new ATOM 744 N GLU A 49 -0.295 -8.053 2.093 1.00 0.00 N ATOM 745 CA GLU A 49 -0.377 -8.614 0.755 1.00 0.00 C ATOM 746 C GLU A 49 0.571 -9.807 0.621 1.00 0.00 C ATOM 747 O GLU A 49 0.127 -10.952 0.548 1.00 0.00 O ATOM 748 CB GLU A 49 -0.074 -7.552 -0.304 1.00 0.00 C ATOM 749 CG GLU A 49 -0.616 -7.971 -1.672 1.00 0.00 C ATOM 750 CD GLU A 49 0.490 -7.951 -2.729 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.558 -7.365 -2.498 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.210 -8.575 -3.823 1.00 0.00 O ATOM 0 H GLU A 49 0.342 -7.262 2.186 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.396 -8.964 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.518 -6.602 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.003 -7.394 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.044 -8.971 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.421 -7.299 -1.970 1.00 0.00 H new ATOM 760 N PHE A 50 1.859 -9.499 0.592 1.00 0.00 N ATOM 761 CA PHE A 50 2.873 -10.532 0.468 1.00 0.00 C ATOM 762 C PHE A 50 3.947 -10.379 1.547 1.00 0.00 C ATOM 763 O PHE A 50 5.101 -10.750 1.337 1.00 0.00 O ATOM 764 CB PHE A 50 3.521 -10.360 -0.907 1.00 0.00 C ATOM 765 CG PHE A 50 3.055 -11.381 -1.947 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.652 -12.601 -2.018 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.043 -11.069 -2.800 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.219 -13.549 -2.982 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.610 -12.016 -3.765 1.00 0.00 C ATOM 770 CZ PHE A 50 2.207 -13.236 -3.836 1.00 0.00 C ATOM 0 H PHE A 50 2.224 -8.548 0.652 1.00 0.00 H new ATOM 0 HA PHE A 50 2.418 -11.516 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.306 -9.357 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.603 -10.435 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.456 -12.849 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.568 -10.100 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.693 -14.518 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.807 -11.768 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.878 -13.956 -4.570 1.00 0.00 H new ATOM 780 N ASP A 51 3.529 -9.832 2.679 1.00 0.00 N ATOM 781 CA ASP A 51 4.441 -9.626 3.792 1.00 0.00 C ATOM 782 C ASP A 51 5.793 -9.151 3.256 1.00 0.00 C ATOM 783 O ASP A 51 6.798 -9.847 3.394 1.00 0.00 O ATOM 784 CB ASP A 51 4.669 -10.925 4.566 1.00 0.00 C ATOM 785 CG ASP A 51 5.639 -10.815 5.744 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.568 -9.869 6.543 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.507 -11.765 5.826 1.00 0.00 O ATOM 0 H ASP A 51 2.571 -9.525 2.850 1.00 0.00 H new ATOM 0 HA ASP A 51 3.999 -8.884 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.709 -11.282 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.044 -11.680 3.876 1.00 0.00 H new ATOM 793 N THR A 52 5.775 -7.971 2.655 1.00 0.00 N ATOM 794 CA THR A 52 6.987 -7.395 2.098 1.00 0.00 C ATOM 795 C THR A 52 7.417 -6.170 2.908 1.00 0.00 C ATOM 796 O THR A 52 8.567 -5.740 2.826 1.00 0.00 O ATOM 797 CB THR A 52 6.729 -7.088 0.622 1.00 0.00 C ATOM 798 OG1 THR A 52 7.984 -7.333 -0.008 1.00 0.00 O ATOM 799 CG2 THR A 52 6.470 -5.601 0.369 1.00 0.00 C ATOM 0 H THR A 52 4.939 -7.397 2.541 1.00 0.00 H new ATOM 0 HA THR A 52 7.821 -8.094 2.158 1.00 0.00 H new ATOM 0 HB THR A 52 5.875 -7.669 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.907 -7.160 -0.969 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.293 -5.438 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.595 -5.283 0.936 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.337 -5.022 0.685 1.00 0.00 H new ATOM 807 N GLU A 53 6.471 -5.643 3.670 1.00 0.00 N ATOM 808 CA GLU A 53 6.737 -4.476 4.494 1.00 0.00 C ATOM 809 C GLU A 53 7.595 -3.469 3.725 1.00 0.00 C ATOM 810 O GLU A 53 8.821 -3.485 3.829 1.00 0.00 O ATOM 811 CB GLU A 53 7.407 -4.875 5.810 1.00 0.00 C ATOM 812 CG GLU A 53 8.582 -5.824 5.562 1.00 0.00 C ATOM 813 CD GLU A 53 9.298 -6.164 6.871 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.819 -7.015 7.636 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.390 -5.511 7.081 1.00 0.00 O ATOM 0 H GLU A 53 5.519 -6.002 3.735 1.00 0.00 H new ATOM 0 HA GLU A 53 5.786 -4.003 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.759 -3.983 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.678 -5.356 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.222 -6.739 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.285 -5.364 4.868 1.00 0.00 H new ATOM 823 N ILE A 54 6.917 -2.615 2.972 1.00 0.00 N ATOM 824 CA ILE A 54 7.602 -1.603 2.186 1.00 0.00 C ATOM 825 C ILE A 54 8.131 -0.512 3.119 1.00 0.00 C ATOM 826 O ILE A 54 7.398 -0.006 3.968 1.00 0.00 O ATOM 827 CB ILE A 54 6.687 -1.075 1.079 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.465 -0.872 -0.223 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.969 0.201 1.522 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.137 0.502 -0.252 1.00 0.00 C ATOM 0 H ILE A 54 5.900 -2.603 2.890 1.00 0.00 H new ATOM 0 HA ILE A 54 8.464 -2.034 1.677 1.00 0.00 H new ATOM 0 HB ILE A 54 5.920 -1.824 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.220 -1.652 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.790 -0.968 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.325 0.555 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.364 -0.009 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.705 0.968 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.683 0.620 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.378 1.280 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.830 0.586 0.585 1.00 0.00 H new ATOM 842 N PRO A 55 9.433 -0.172 2.925 1.00 0.00 N ATOM 843 CA PRO A 55 10.069 0.850 3.739 1.00 0.00 C ATOM 844 C PRO A 55 9.606 2.248 3.324 1.00 0.00 C ATOM 845 O PRO A 55 8.648 2.389 2.566 1.00 0.00 O ATOM 846 CB PRO A 55 11.561 0.636 3.544 1.00 0.00 C ATOM 847 CG PRO A 55 11.702 -0.190 2.276 1.00 0.00 C ATOM 848 CD PRO A 55 10.332 -0.749 1.930 1.00 0.00 C ATOM 0 HA PRO A 55 9.804 0.774 4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.083 1.588 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.996 0.117 4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.081 0.425 1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.418 -0.998 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.035 -0.470 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.326 -1.838 1.975 1.00 0.00 H new ATOM 856 N ASP A 56 10.309 3.247 3.839 1.00 0.00 N ATOM 857 CA ASP A 56 9.982 4.629 3.531 1.00 0.00 C ATOM 858 C ASP A 56 10.925 5.140 2.440 1.00 0.00 C ATOM 859 O ASP A 56 10.667 6.174 1.826 1.00 0.00 O ATOM 860 CB ASP A 56 10.153 5.522 4.761 1.00 0.00 C ATOM 861 CG ASP A 56 8.931 6.370 5.119 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.893 7.581 4.853 1.00 0.00 O ATOM 863 OD2 ASP A 56 7.976 5.730 5.704 1.00 0.00 O ATOM 0 H ASP A 56 11.103 3.126 4.467 1.00 0.00 H new ATOM 0 HA ASP A 56 8.944 4.665 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.403 4.894 5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.001 6.186 4.594 1.00 0.00 H new ATOM 869 N GLU A 57 12.000 4.393 2.233 1.00 0.00 N ATOM 870 CA GLU A 57 12.983 4.758 1.227 1.00 0.00 C ATOM 871 C GLU A 57 12.501 4.337 -0.163 1.00 0.00 C ATOM 872 O GLU A 57 12.505 5.140 -1.095 1.00 0.00 O ATOM 873 CB GLU A 57 14.347 4.142 1.544 1.00 0.00 C ATOM 874 CG GLU A 57 14.304 2.618 1.413 1.00 0.00 C ATOM 875 CD GLU A 57 15.564 1.982 2.004 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.621 1.981 1.355 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.418 1.475 3.181 1.00 0.00 O ATOM 0 H GLU A 57 12.212 3.537 2.745 1.00 0.00 H new ATOM 0 HA GLU A 57 13.100 5.842 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.099 4.548 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.647 4.415 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.423 2.230 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.211 2.342 0.363 1.00 0.00 H new ATOM 885 N GLU A 58 12.097 3.079 -0.259 1.00 0.00 N ATOM 886 CA GLU A 58 11.613 2.542 -1.519 1.00 0.00 C ATOM 887 C GLU A 58 10.192 3.036 -1.796 1.00 0.00 C ATOM 888 O GLU A 58 9.712 2.953 -2.926 1.00 0.00 O ATOM 889 CB GLU A 58 11.672 1.013 -1.522 1.00 0.00 C ATOM 890 CG GLU A 58 12.828 0.510 -2.390 1.00 0.00 C ATOM 891 CD GLU A 58 14.170 1.026 -1.866 1.00 0.00 C ATOM 892 OE1 GLU A 58 14.708 2.008 -2.400 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.655 0.370 -0.867 1.00 0.00 O ATOM 0 H GLU A 58 12.095 2.416 0.516 1.00 0.00 H new ATOM 0 HA GLU A 58 12.263 2.900 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.793 0.648 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.730 0.610 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.832 -0.580 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.685 0.838 -3.419 1.00 0.00 H new ATOM 901 N ALA A 59 9.559 3.539 -0.747 1.00 0.00 N ATOM 902 CA ALA A 59 8.203 4.047 -0.863 1.00 0.00 C ATOM 903 C ALA A 59 8.232 5.415 -1.548 1.00 0.00 C ATOM 904 O ALA A 59 7.284 5.787 -2.238 1.00 0.00 O ATOM 905 CB ALA A 59 7.558 4.103 0.523 1.00 0.00 C ATOM 0 H ALA A 59 9.961 3.606 0.188 1.00 0.00 H new ATOM 0 HA ALA A 59 7.596 3.383 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.541 4.484 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.535 3.102 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.138 4.763 1.168 1.00 0.00 H new ATOM 911 N GLU A 60 9.330 6.125 -1.334 1.00 0.00 N ATOM 912 CA GLU A 60 9.494 7.443 -1.922 1.00 0.00 C ATOM 913 C GLU A 60 9.432 7.355 -3.448 1.00 0.00 C ATOM 914 O GLU A 60 8.685 8.094 -4.087 1.00 0.00 O ATOM 915 CB GLU A 60 10.803 8.089 -1.463 1.00 0.00 C ATOM 916 CG GLU A 60 10.555 9.490 -0.900 1.00 0.00 C ATOM 917 CD GLU A 60 10.910 10.565 -1.928 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.016 11.263 -2.430 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.167 10.664 -2.202 1.00 0.00 O ATOM 0 H GLU A 60 10.114 5.812 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 60 8.675 8.076 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.273 7.466 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.497 8.148 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.509 9.590 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.150 9.634 0.002 1.00 0.00 H new ATOM 927 N LYS A 61 10.228 6.444 -3.989 1.00 0.00 N ATOM 928 CA LYS A 61 10.273 6.249 -5.428 1.00 0.00 C ATOM 929 C LYS A 61 9.075 5.402 -5.862 1.00 0.00 C ATOM 930 O LYS A 61 8.927 5.087 -7.042 1.00 0.00 O ATOM 931 CB LYS A 61 11.624 5.665 -5.848 1.00 0.00 C ATOM 932 CG LYS A 61 12.019 4.494 -4.946 1.00 0.00 C ATOM 933 CD LYS A 61 12.757 3.415 -5.741 1.00 0.00 C ATOM 934 CE LYS A 61 13.980 2.909 -4.973 1.00 0.00 C ATOM 935 NZ LYS A 61 15.210 3.102 -5.773 1.00 0.00 N ATOM 0 H LYS A 61 10.847 5.833 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 61 10.191 7.205 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.573 5.330 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.390 6.439 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.654 4.852 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.127 4.067 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.082 2.584 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.069 3.818 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.068 3.441 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.856 1.853 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.031 2.753 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.130 2.575 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.335 4.114 -5.979 1.00 0.00 H new ATOM 948 N ILE A 62 8.251 5.056 -4.884 1.00 0.00 N ATOM 949 CA ILE A 62 7.071 4.252 -5.150 1.00 0.00 C ATOM 950 C ILE A 62 5.830 4.992 -4.646 1.00 0.00 C ATOM 951 O ILE A 62 4.771 4.390 -4.475 1.00 0.00 O ATOM 952 CB ILE A 62 7.233 2.850 -4.558 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.397 2.108 -5.217 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.925 2.061 -4.648 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.604 0.733 -4.579 1.00 0.00 C ATOM 0 H ILE A 62 8.377 5.318 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 62 6.943 4.108 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 62 7.474 2.952 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.202 1.992 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.309 2.698 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.068 1.069 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.145 2.585 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.628 1.966 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.438 0.227 -5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.823 0.853 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.699 0.137 -4.697 1.00 0.00 H new ATOM 967 N THR A 63 6.002 6.286 -4.422 1.00 0.00 N ATOM 968 CA THR A 63 4.910 7.115 -3.941 1.00 0.00 C ATOM 969 C THR A 63 3.687 6.963 -4.847 1.00 0.00 C ATOM 970 O THR A 63 2.565 6.816 -4.364 1.00 0.00 O ATOM 971 CB THR A 63 5.417 8.554 -3.841 1.00 0.00 C ATOM 972 OG1 THR A 63 4.282 9.292 -3.397 1.00 0.00 O ATOM 973 CG2 THR A 63 5.741 9.158 -5.210 1.00 0.00 C ATOM 0 H THR A 63 6.882 6.781 -4.565 1.00 0.00 H new ATOM 0 HA THR A 63 4.582 6.802 -2.950 1.00 0.00 H new ATOM 0 HB THR A 63 6.307 8.582 -3.212 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.523 10.237 -3.304 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.097 10.180 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.514 8.563 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.843 9.161 -5.828 1.00 0.00 H new ATOM 981 N THR A 64 3.944 7.003 -6.147 1.00 0.00 N ATOM 982 CA THR A 64 2.878 6.871 -7.125 1.00 0.00 C ATOM 983 C THR A 64 2.058 5.608 -6.854 1.00 0.00 C ATOM 984 O THR A 64 2.211 4.977 -5.810 1.00 0.00 O ATOM 985 CB THR A 64 3.509 6.899 -8.518 1.00 0.00 C ATOM 986 OG1 THR A 64 4.584 5.967 -8.431 1.00 0.00 O ATOM 987 CG2 THR A 64 4.194 8.232 -8.825 1.00 0.00 C ATOM 0 H THR A 64 4.875 7.125 -6.545 1.00 0.00 H new ATOM 0 HA THR A 64 2.172 7.699 -7.055 1.00 0.00 H new ATOM 0 HB THR A 64 2.742 6.705 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.048 5.921 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.625 8.198 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.462 9.038 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.984 8.412 -8.096 1.00 0.00 H new ATOM 995 N VAL A 65 1.205 5.278 -7.813 1.00 0.00 N ATOM 996 CA VAL A 65 0.361 4.102 -7.691 1.00 0.00 C ATOM 997 C VAL A 65 0.926 2.980 -8.565 1.00 0.00 C ATOM 998 O VAL A 65 1.131 1.863 -8.092 1.00 0.00 O ATOM 999 CB VAL A 65 -1.086 4.458 -8.037 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.981 3.218 -7.996 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.620 5.550 -7.108 1.00 0.00 C ATOM 0 H VAL A 65 1.081 5.805 -8.678 1.00 0.00 H new ATOM 0 HA VAL A 65 0.356 3.741 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.100 4.848 -9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.004 3.499 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.620 2.485 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.958 2.785 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.650 5.784 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.584 5.200 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.007 6.445 -7.209 1.00 0.00 H new ATOM 1011 N GLN A 66 1.163 3.317 -9.824 1.00 0.00 N ATOM 1012 CA GLN A 66 1.700 2.353 -10.768 1.00 0.00 C ATOM 1013 C GLN A 66 2.972 1.713 -10.207 1.00 0.00 C ATOM 1014 O GLN A 66 3.333 0.601 -10.590 1.00 0.00 O ATOM 1015 CB GLN A 66 1.968 3.005 -12.126 1.00 0.00 C ATOM 1016 CG GLN A 66 2.407 1.964 -13.157 1.00 0.00 C ATOM 1017 CD GLN A 66 1.282 1.666 -14.150 1.00 0.00 C ATOM 1018 OE1 GLN A 66 1.136 2.310 -15.175 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.496 0.655 -13.788 1.00 0.00 N ATOM 0 H GLN A 66 0.993 4.245 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 66 0.958 1.569 -10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.067 3.510 -12.475 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.741 3.767 -12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.284 2.326 -13.694 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.701 1.046 -12.649 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.674 0.157 -12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.285 0.378 -14.383 1.00 0.00 H new ATOM 1028 N ALA A 67 3.617 2.443 -9.309 1.00 0.00 N ATOM 1029 CA ALA A 67 4.840 1.961 -8.692 1.00 0.00 C ATOM 1030 C ALA A 67 4.508 0.807 -7.743 1.00 0.00 C ATOM 1031 O ALA A 67 5.365 -0.023 -7.445 1.00 0.00 O ATOM 1032 CB ALA A 67 5.543 3.118 -7.978 1.00 0.00 C ATOM 0 H ALA A 67 3.315 3.365 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 67 5.526 1.579 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.461 2.756 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.784 3.898 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.885 3.525 -7.210 1.00 0.00 H new ATOM 1038 N ALA A 68 3.261 0.792 -7.296 1.00 0.00 N ATOM 1039 CA ALA A 68 2.805 -0.247 -6.387 1.00 0.00 C ATOM 1040 C ALA A 68 2.257 -1.423 -7.198 1.00 0.00 C ATOM 1041 O ALA A 68 1.726 -2.377 -6.633 1.00 0.00 O ATOM 1042 CB ALA A 68 1.764 0.335 -5.429 1.00 0.00 C ATOM 0 H ALA A 68 2.552 1.482 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 68 3.632 -0.620 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.422 -0.443 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.211 1.148 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.917 0.716 -6.000 1.00 0.00 H new ATOM 1048 N ILE A 69 2.406 -1.316 -8.510 1.00 0.00 N ATOM 1049 CA ILE A 69 1.934 -2.359 -9.405 1.00 0.00 C ATOM 1050 C ILE A 69 3.134 -3.041 -10.066 1.00 0.00 C ATOM 1051 O ILE A 69 3.096 -4.238 -10.345 1.00 0.00 O ATOM 1052 CB ILE A 69 0.922 -1.792 -10.403 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.454 -1.628 -9.755 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.861 -2.649 -11.669 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.660 -0.195 -9.260 1.00 0.00 C ATOM 0 H ILE A 69 2.847 -0.523 -8.975 1.00 0.00 H new ATOM 0 HA ILE A 69 1.399 -3.127 -8.846 1.00 0.00 H new ATOM 0 HB ILE A 69 1.257 -0.799 -10.702 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.232 -1.883 -10.475 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.552 -2.322 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.134 -2.224 -12.361 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.843 -2.670 -12.142 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.562 -3.664 -11.407 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.646 -0.106 -8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.105 0.049 -8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.586 0.495 -10.101 1.00 0.00 H new ATOM 1067 N ASP A 70 4.170 -2.249 -10.297 1.00 0.00 N ATOM 1068 CA ASP A 70 5.379 -2.761 -10.920 1.00 0.00 C ATOM 1069 C ASP A 70 6.181 -3.556 -9.889 1.00 0.00 C ATOM 1070 O ASP A 70 6.840 -4.537 -10.231 1.00 0.00 O ATOM 1071 CB ASP A 70 6.262 -1.620 -11.428 1.00 0.00 C ATOM 1072 CG ASP A 70 7.169 -1.980 -12.607 1.00 0.00 C ATOM 1073 OD1 ASP A 70 8.377 -2.202 -12.438 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.580 -2.029 -13.753 1.00 0.00 O ATOM 0 H ASP A 70 4.198 -1.256 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 70 5.085 -3.391 -11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.622 -0.788 -11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.884 -1.268 -10.605 1.00 0.00 H new ATOM 1080 N TYR A 71 6.100 -3.104 -8.646 1.00 0.00 N ATOM 1081 CA TYR A 71 6.810 -3.762 -7.562 1.00 0.00 C ATOM 1082 C TYR A 71 6.088 -5.039 -7.128 1.00 0.00 C ATOM 1083 O TYR A 71 6.728 -6.030 -6.781 1.00 0.00 O ATOM 1084 CB TYR A 71 6.812 -2.770 -6.397 1.00 0.00 C ATOM 1085 CG TYR A 71 8.129 -2.727 -5.619 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.308 -2.437 -6.274 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.137 -2.979 -4.262 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.548 -2.397 -5.542 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.377 -2.938 -3.530 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.520 -2.649 -4.206 1.00 0.00 C ATOM 1091 OH TYR A 71 11.691 -2.611 -3.514 1.00 0.00 O ATOM 0 H TYR A 71 5.553 -2.290 -8.365 1.00 0.00 H new ATOM 0 HA TYR A 71 7.816 -4.041 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.596 -1.773 -6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.005 -3.029 -5.711 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.301 -2.240 -7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.214 -3.207 -3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.478 -2.172 -6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.398 -3.133 -2.468 1.00 0.00 H new ATOM 0 HH TYR A 71 11.520 -2.810 -2.570 1.00 0.00 H new ATOM 1101 N ILE A 72 4.765 -4.974 -7.163 1.00 0.00 N ATOM 1102 CA ILE A 72 3.949 -6.113 -6.778 1.00 0.00 C ATOM 1103 C ILE A 72 3.978 -7.157 -7.896 1.00 0.00 C ATOM 1104 O ILE A 72 3.944 -8.357 -7.631 1.00 0.00 O ATOM 1105 CB ILE A 72 2.539 -5.657 -6.399 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.581 -4.618 -5.277 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.655 -6.853 -6.039 1.00 0.00 C ATOM 1108 CD1 ILE A 72 2.975 -5.263 -3.946 1.00 0.00 C ATOM 0 H ILE A 72 4.238 -4.150 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 72 4.356 -6.589 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 72 2.091 -5.174 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.294 -3.833 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.605 -4.143 -5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.658 -6.502 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.587 -7.526 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.090 -7.385 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.997 -4.502 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.247 -6.031 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.962 -5.716 -4.039 1.00 0.00 H new ATOM 1120 N ASN A 73 4.042 -6.661 -9.124 1.00 0.00 N ATOM 1121 CA ASN A 73 4.076 -7.536 -10.283 1.00 0.00 C ATOM 1122 C ASN A 73 5.159 -8.598 -10.083 1.00 0.00 C ATOM 1123 O ASN A 73 5.059 -9.701 -10.619 1.00 0.00 O ATOM 1124 CB ASN A 73 4.410 -6.754 -11.554 1.00 0.00 C ATOM 1125 CG ASN A 73 3.434 -7.096 -12.682 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.688 -7.943 -13.522 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.306 -6.391 -12.653 1.00 0.00 N ATOM 0 H ASN A 73 4.071 -5.665 -9.341 1.00 0.00 H new ATOM 0 HA ASN A 73 3.092 -7.993 -10.389 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.372 -5.684 -11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.429 -6.982 -11.868 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.590 -6.545 -13.363 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.157 -5.697 -11.921 1.00 0.00 H new ATOM 1134 N GLY A 74 6.170 -8.228 -9.311 1.00 0.00 N ATOM 1135 CA GLY A 74 7.271 -9.135 -9.034 1.00 0.00 C ATOM 1136 C GLY A 74 6.760 -10.459 -8.461 1.00 0.00 C ATOM 1137 O GLY A 74 7.476 -11.459 -8.465 1.00 0.00 O ATOM 0 H GLY A 74 6.250 -7.312 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.831 -9.323 -9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.960 -8.671 -8.328 1.00 0.00 H new ATOM 1141 N HIS A 75 5.526 -10.422 -7.981 1.00 0.00 N ATOM 1142 CA HIS A 75 4.911 -11.606 -7.406 1.00 0.00 C ATOM 1143 C HIS A 75 4.867 -12.721 -8.452 1.00 0.00 C ATOM 1144 O HIS A 75 5.067 -13.891 -8.126 1.00 0.00 O ATOM 1145 CB HIS A 75 3.531 -11.277 -6.831 1.00 0.00 C ATOM 1146 CG HIS A 75 2.542 -12.414 -6.921 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.899 -13.736 -6.722 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.204 -12.412 -7.187 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.818 -14.488 -6.867 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.769 -13.666 -7.155 1.00 0.00 N ATOM 0 H HIS A 75 4.935 -9.591 -7.978 1.00 0.00 H new ATOM 0 HA HIS A 75 5.513 -11.963 -6.570 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.643 -10.989 -5.786 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.125 -10.413 -7.358 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.836 -14.074 -6.501 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.601 -11.539 -7.389 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.775 -15.563 -6.774 1.00 0.00 H new ATOM 1158 N GLN A 76 4.604 -12.320 -9.687 1.00 0.00 N ATOM 1159 CA GLN A 76 4.531 -13.272 -10.783 1.00 0.00 C ATOM 1160 C GLN A 76 5.934 -13.742 -11.171 1.00 0.00 C ATOM 1161 O GLN A 76 6.214 -14.940 -11.168 1.00 0.00 O ATOM 1162 CB GLN A 76 3.803 -12.668 -11.985 1.00 0.00 C ATOM 1163 CG GLN A 76 2.411 -13.283 -12.148 1.00 0.00 C ATOM 1164 CD GLN A 76 1.349 -12.428 -11.453 1.00 0.00 C ATOM 1165 OE1 GLN A 76 1.740 -11.923 -10.287 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 0.248 -12.239 -11.944 1.00 0.00 N flip ATOM 0 H GLN A 76 4.439 -11.349 -9.953 1.00 0.00 H new ATOM 0 HA GLN A 76 3.958 -14.138 -10.450 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.715 -11.589 -11.857 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.387 -12.835 -12.890 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.172 -13.376 -13.207 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.403 -14.290 -11.730 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.012 -12.657 -12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.437 -11.663 -11.454 1.00 0.00 H new ATOM 1175 N ALA A 77 6.779 -12.775 -11.497 1.00 0.00 N ATOM 1176 CA ALA A 77 8.146 -13.075 -11.887 1.00 0.00 C ATOM 1177 C ALA A 77 9.111 -12.328 -10.964 1.00 0.00 C ATOM 1178 O ALA A 77 10.285 -12.682 -10.870 1.00 0.00 O ATOM 1179 CB ALA A 77 8.349 -12.712 -13.359 1.00 0.00 C ATOM 0 H ALA A 77 6.543 -11.783 -11.499 1.00 0.00 H new ATOM 0 HA ALA A 77 8.349 -14.141 -11.783 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.375 -12.937 -13.651 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.661 -13.291 -13.975 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.156 -11.649 -13.501 1.00 0.00 H new TER 1185 ALA A 77