USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 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 59 SER OG : rot 160:sc= 0.0687 USER MOD Set 1.2: A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0787) USER MOD Set 2.1: A 19 GLN : amide:sc= 0.493 K(o=2.3,f=-2!) USER MOD Set 2.2: A 49 GLN : amide:sc= 1.82 K(o=2.3,f=-0.092) USER MOD Set 3.1: A 13 THR OG1 : rot -93:sc= 0.274 USER MOD Set 3.2: A 54 HIS : no HD1:sc= -0.0706 X(o=0.2,f=-0.018) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 25:sc= 0.219 USER MOD Single : A 20 MET CE :methyl -139:sc= -1.18 (180deg=-6.11!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.083) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 1.11 (180deg=0.742) USER MOD Single : A 32 SER OG : rot -166:sc= 0.647 USER MOD Single : A 34 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0136 K(o=-0.014,f=-1.2) USER MOD Single : A 45 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.04) USER MOD Single : A 50 MET CE :methyl -116:sc= 0 (180deg=-0.079) USER MOD Single : A 55 THR OG1 : rot 50:sc= 1.41 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.918 K(o=0.92,f=-5.7!) USER MOD Single : A 63 GLN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 69 THR OG1 : rot -72:sc= 1.61 USER MOD Single : A 72 GLN : amide:sc= -0.98 K(o=-0.98,f=-0.031) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.866 4.774 12.121 1.00 2.01 N ATOM 2 CA GLY A 9 -9.912 4.552 13.207 1.00 1.07 C ATOM 3 C GLY A 9 -8.870 5.664 13.368 1.00 1.04 C ATOM 4 O GLY A 9 -9.172 6.855 13.269 1.00 1.60 O ATOM 0 HA2 GLY A 9 -10.462 4.447 14.142 1.00 1.07 H new ATOM 0 HA3 GLY A 9 -9.395 3.608 13.034 1.00 1.07 H new ATOM 8 N THR A 10 -7.624 5.257 13.610 1.00 0.83 N ATOM 9 CA THR A 10 -6.497 6.118 13.992 1.00 0.65 C ATOM 10 C THR A 10 -5.216 5.732 13.263 1.00 0.53 C ATOM 11 O THR A 10 -5.054 4.584 12.842 1.00 0.58 O ATOM 12 CB THR A 10 -6.290 6.080 15.506 1.00 0.79 C ATOM 13 OG1 THR A 10 -5.425 7.105 15.918 1.00 0.78 O ATOM 14 CG2 THR A 10 -5.725 4.755 16.020 1.00 0.94 C ATOM 0 H THR A 10 -7.357 4.275 13.543 1.00 0.83 H new ATOM 0 HA THR A 10 -6.743 7.137 13.695 1.00 0.65 H new ATOM 0 HB THR A 10 -7.286 6.210 15.929 1.00 0.79 H new ATOM 0 HG1 THR A 10 -5.308 7.063 16.890 1.00 0.78 H new ATOM 0 HG21 THR A 10 -5.606 4.806 17.102 1.00 0.94 H new ATOM 0 HG22 THR A 10 -6.409 3.945 15.767 1.00 0.94 H new ATOM 0 HG23 THR A 10 -4.756 4.569 15.557 1.00 0.94 H new ATOM 22 N LEU A 11 -4.321 6.699 13.072 1.00 0.46 N ATOM 23 CA LEU A 11 -3.247 6.583 12.085 1.00 0.49 C ATOM 24 C LEU A 11 -2.135 5.622 12.527 1.00 0.58 C ATOM 25 O LEU A 11 -1.610 5.693 13.643 1.00 0.68 O ATOM 26 CB LEU A 11 -2.625 7.935 11.677 1.00 0.55 C ATOM 27 CG LEU A 11 -2.181 7.885 10.196 1.00 1.08 C ATOM 28 CD1 LEU A 11 -3.256 8.485 9.301 1.00 2.26 C ATOM 29 CD2 LEU A 11 -0.877 8.577 9.867 1.00 2.12 C ATOM 0 H LEU A 11 -4.318 7.577 13.591 1.00 0.46 H new ATOM 0 HA LEU A 11 -3.742 6.169 11.207 1.00 0.49 H new ATOM 0 HB2 LEU A 11 -3.349 8.737 11.822 1.00 0.55 H new ATOM 0 HB3 LEU A 11 -1.770 8.159 12.315 1.00 0.55 H new ATOM 0 HG LEU A 11 -2.023 6.822 10.013 1.00 1.08 H new ATOM 0 HD11 LEU A 11 -2.930 8.443 8.262 1.00 2.26 H new ATOM 0 HD12 LEU A 11 -4.181 7.919 9.414 1.00 2.26 H new ATOM 0 HD13 LEU A 11 -3.429 9.523 9.585 1.00 2.26 H new ATOM 0 HD21 LEU A 11 -0.670 8.476 8.802 1.00 2.12 H new ATOM 0 HD22 LEU A 11 -0.951 9.634 10.123 1.00 2.12 H new ATOM 0 HD23 LEU A 11 -0.069 8.121 10.439 1.00 2.12 H new ATOM 41 N CYS A 12 -1.734 4.773 11.590 1.00 0.53 N ATOM 42 CA CYS A 12 -0.707 3.745 11.708 1.00 0.63 C ATOM 43 C CYS A 12 0.022 3.583 10.360 1.00 0.45 C ATOM 44 O CYS A 12 -0.533 3.900 9.305 1.00 0.33 O ATOM 45 CB CYS A 12 -1.400 2.444 12.140 1.00 0.82 C ATOM 46 SG CYS A 12 -1.710 2.449 13.930 1.00 1.81 S ATOM 0 H CYS A 12 -2.149 4.786 10.658 1.00 0.53 H new ATOM 0 HA CYS A 12 0.044 4.017 12.450 1.00 0.63 H new ATOM 0 HB2 CYS A 12 -2.342 2.331 11.603 1.00 0.82 H new ATOM 0 HB3 CYS A 12 -0.778 1.589 11.876 1.00 0.82 H new ATOM 0 HG CYS A 12 -1.784 3.676 14.354 1.00 1.81 H new ATOM 52 N THR A 13 1.255 3.075 10.388 1.00 0.53 N ATOM 53 CA THR A 13 2.042 2.752 9.181 1.00 0.32 C ATOM 54 C THR A 13 1.984 1.252 8.931 1.00 0.35 C ATOM 55 O THR A 13 2.421 0.461 9.767 1.00 0.53 O ATOM 56 CB THR A 13 3.497 3.221 9.320 1.00 0.34 C ATOM 57 OG1 THR A 13 3.519 4.624 9.494 1.00 0.54 O ATOM 58 CG2 THR A 13 4.325 2.874 8.078 1.00 0.40 C ATOM 0 H THR A 13 1.748 2.871 11.257 1.00 0.53 H new ATOM 0 HA THR A 13 1.611 3.280 8.330 1.00 0.32 H new ATOM 0 HB THR A 13 3.931 2.712 10.181 1.00 0.34 H new ATOM 0 HG1 THR A 13 3.620 5.060 8.622 1.00 0.54 H new ATOM 0 HG21 THR A 13 5.349 3.222 8.214 1.00 0.40 H new ATOM 0 HG22 THR A 13 4.325 1.794 7.931 1.00 0.40 H new ATOM 0 HG23 THR A 13 3.890 3.359 7.204 1.00 0.40 H new ATOM 66 N LEU A 14 1.472 0.854 7.768 1.00 0.29 N ATOM 67 CA LEU A 14 1.382 -0.543 7.340 1.00 0.31 C ATOM 68 C LEU A 14 2.475 -0.834 6.297 1.00 0.32 C ATOM 69 O LEU A 14 2.547 -0.149 5.279 1.00 0.38 O ATOM 70 CB LEU A 14 -0.041 -0.800 6.815 1.00 0.37 C ATOM 71 CG LEU A 14 -1.137 -1.080 7.872 1.00 0.48 C ATOM 72 CD1 LEU A 14 -1.043 -0.317 9.191 1.00 0.92 C ATOM 73 CD2 LEU A 14 -2.511 -0.753 7.281 1.00 1.72 C ATOM 0 H LEU A 14 1.099 1.508 7.080 1.00 0.29 H new ATOM 0 HA LEU A 14 1.557 -1.227 8.171 1.00 0.31 H new ATOM 0 HB2 LEU A 14 -0.348 0.066 6.229 1.00 0.37 H new ATOM 0 HB3 LEU A 14 -0.003 -1.649 6.133 1.00 0.37 H new ATOM 0 HG LEU A 14 -0.986 -2.132 8.113 1.00 0.48 H new ATOM 0 HD11 LEU A 14 -1.870 -0.607 9.839 1.00 0.92 H new ATOM 0 HD12 LEU A 14 -0.098 -0.553 9.681 1.00 0.92 H new ATOM 0 HD13 LEU A 14 -1.093 0.754 8.996 1.00 0.92 H new ATOM 0 HD21 LEU A 14 -3.283 -0.950 8.025 1.00 1.72 H new ATOM 0 HD22 LEU A 14 -2.543 0.298 6.994 1.00 1.72 H new ATOM 0 HD23 LEU A 14 -2.686 -1.374 6.403 1.00 1.72 H new ATOM 85 N GLU A 15 3.318 -1.838 6.560 1.00 0.39 N ATOM 86 CA GLU A 15 4.430 -2.273 5.695 1.00 0.37 C ATOM 87 C GLU A 15 4.078 -3.555 4.920 1.00 0.32 C ATOM 88 O GLU A 15 4.342 -4.673 5.377 1.00 0.43 O ATOM 89 CB GLU A 15 5.701 -2.503 6.536 1.00 0.48 C ATOM 90 CG GLU A 15 6.332 -1.214 7.069 1.00 0.97 C ATOM 91 CD GLU A 15 7.651 -1.483 7.818 1.00 1.02 C ATOM 92 OE1 GLU A 15 7.829 -2.574 8.417 1.00 1.99 O ATOM 93 OE2 GLU A 15 8.537 -0.596 7.860 1.00 1.92 O ATOM 0 H GLU A 15 3.245 -2.394 7.412 1.00 0.39 H new ATOM 0 HA GLU A 15 4.613 -1.480 4.970 1.00 0.37 H new ATOM 0 HB2 GLU A 15 5.456 -3.151 7.377 1.00 0.48 H new ATOM 0 HB3 GLU A 15 6.436 -3.032 5.929 1.00 0.48 H new ATOM 0 HG2 GLU A 15 6.519 -0.532 6.239 1.00 0.97 H new ATOM 0 HG3 GLU A 15 5.630 -0.717 7.738 1.00 0.97 H new ATOM 100 N PHE A 16 3.515 -3.409 3.721 1.00 0.25 N ATOM 101 CA PHE A 16 3.024 -4.544 2.922 1.00 0.23 C ATOM 102 C PHE A 16 4.047 -4.991 1.880 1.00 0.23 C ATOM 103 O PHE A 16 4.674 -4.175 1.212 1.00 0.29 O ATOM 104 CB PHE A 16 1.737 -4.192 2.160 1.00 0.26 C ATOM 105 CG PHE A 16 0.445 -4.099 2.932 1.00 0.24 C ATOM 106 CD1 PHE A 16 0.034 -2.874 3.480 1.00 2.01 C ATOM 107 CD2 PHE A 16 -0.402 -5.223 2.996 1.00 2.05 C ATOM 108 CE1 PHE A 16 -1.238 -2.766 4.068 1.00 2.02 C ATOM 109 CE2 PHE A 16 -1.676 -5.111 3.581 1.00 2.04 C ATOM 110 CZ PHE A 16 -2.095 -3.881 4.111 1.00 0.31 C ATOM 0 H PHE A 16 3.384 -2.503 3.271 1.00 0.25 H new ATOM 0 HA PHE A 16 2.837 -5.343 3.640 1.00 0.23 H new ATOM 0 HB2 PHE A 16 1.897 -3.234 1.665 1.00 0.26 H new ATOM 0 HB3 PHE A 16 1.602 -4.937 1.376 1.00 0.26 H new ATOM 0 HD1 PHE A 16 0.692 -2.018 3.450 1.00 2.01 H new ATOM 0 HD2 PHE A 16 -0.073 -6.171 2.596 1.00 2.05 H new ATOM 0 HE1 PHE A 16 -1.559 -1.824 4.488 1.00 2.02 H new ATOM 0 HE2 PHE A 16 -2.330 -5.969 3.622 1.00 2.04 H new ATOM 0 HZ PHE A 16 -3.076 -3.790 4.552 1.00 0.31 H new ATOM 120 N ALA A 17 4.130 -6.301 1.681 1.00 0.28 N ATOM 121 CA ALA A 17 4.790 -6.920 0.531 1.00 0.27 C ATOM 122 C ALA A 17 3.827 -7.050 -0.660 1.00 0.26 C ATOM 123 O ALA A 17 2.644 -7.344 -0.484 1.00 0.36 O ATOM 124 CB ALA A 17 5.343 -8.285 0.940 1.00 0.32 C ATOM 0 H ALA A 17 3.732 -6.981 2.328 1.00 0.28 H new ATOM 0 HA ALA A 17 5.613 -6.282 0.210 1.00 0.27 H new ATOM 0 HB1 ALA A 17 5.835 -8.749 0.085 1.00 0.32 H new ATOM 0 HB2 ALA A 17 6.063 -8.159 1.749 1.00 0.32 H new ATOM 0 HB3 ALA A 17 4.526 -8.922 1.278 1.00 0.32 H new ATOM 130 N VAL A 18 4.330 -6.846 -1.876 1.00 0.34 N ATOM 131 CA VAL A 18 3.564 -6.917 -3.134 1.00 0.43 C ATOM 132 C VAL A 18 4.390 -7.594 -4.234 1.00 0.63 C ATOM 133 O VAL A 18 5.608 -7.723 -4.108 1.00 0.93 O ATOM 134 CB VAL A 18 3.081 -5.514 -3.576 1.00 0.56 C ATOM 135 CG1 VAL A 18 1.947 -4.957 -2.700 1.00 0.55 C ATOM 136 CG2 VAL A 18 4.205 -4.493 -3.546 1.00 0.64 C ATOM 0 H VAL A 18 5.313 -6.619 -2.025 1.00 0.34 H new ATOM 0 HA VAL A 18 2.678 -7.526 -2.956 1.00 0.43 H new ATOM 0 HB VAL A 18 2.716 -5.663 -4.592 1.00 0.56 H new ATOM 0 HG11 VAL A 18 1.656 -3.972 -3.064 1.00 0.55 H new ATOM 0 HG12 VAL A 18 1.089 -5.628 -2.745 1.00 0.55 H new ATOM 0 HG13 VAL A 18 2.290 -4.876 -1.669 1.00 0.55 H new ATOM 0 HG21 VAL A 18 3.823 -3.522 -3.863 1.00 0.64 H new ATOM 0 HG22 VAL A 18 4.599 -4.415 -2.533 1.00 0.64 H new ATOM 0 HG23 VAL A 18 5.001 -4.808 -4.221 1.00 0.64 H new ATOM 146 N GLN A 19 3.750 -8.023 -5.325 1.00 0.60 N ATOM 147 CA GLN A 19 4.441 -8.561 -6.507 1.00 0.72 C ATOM 148 C GLN A 19 4.377 -7.563 -7.675 1.00 0.63 C ATOM 149 O GLN A 19 3.396 -7.513 -8.417 1.00 0.71 O ATOM 150 CB GLN A 19 3.867 -9.949 -6.847 1.00 1.02 C ATOM 151 CG GLN A 19 4.395 -10.605 -8.137 1.00 1.96 C ATOM 152 CD GLN A 19 5.892 -10.922 -8.172 1.00 3.44 C ATOM 153 OE1 GLN A 19 6.760 -10.102 -7.892 1.00 4.77 O ATOM 154 NE2 GLN A 19 6.269 -12.126 -8.541 1.00 4.11 N ATOM 0 H GLN A 19 2.734 -8.008 -5.417 1.00 0.60 H new ATOM 0 HA GLN A 19 5.501 -8.697 -6.295 1.00 0.72 H new ATOM 0 HB2 GLN A 19 4.073 -10.619 -6.012 1.00 1.02 H new ATOM 0 HB3 GLN A 19 2.783 -9.862 -6.925 1.00 1.02 H new ATOM 0 HG2 GLN A 19 3.845 -11.532 -8.300 1.00 1.96 H new ATOM 0 HG3 GLN A 19 4.165 -9.947 -8.975 1.00 1.96 H new ATOM 0 HE21 GLN A 19 5.569 -12.829 -8.780 1.00 4.11 H new ATOM 0 HE22 GLN A 19 7.261 -12.358 -8.588 1.00 4.11 H new ATOM 163 N MET A 20 5.427 -6.752 -7.834 1.00 0.52 N ATOM 164 CA MET A 20 5.638 -5.875 -8.996 1.00 0.47 C ATOM 165 C MET A 20 7.128 -5.636 -9.270 1.00 0.51 C ATOM 166 O MET A 20 7.898 -5.532 -8.316 1.00 0.65 O ATOM 167 CB MET A 20 4.930 -4.530 -8.792 1.00 0.46 C ATOM 168 CG MET A 20 5.205 -3.865 -7.440 1.00 0.41 C ATOM 169 SD MET A 20 4.423 -2.242 -7.263 1.00 0.65 S ATOM 170 CE MET A 20 5.102 -1.788 -5.650 1.00 0.43 C ATOM 0 H MET A 20 6.174 -6.683 -7.143 1.00 0.52 H new ATOM 0 HA MET A 20 5.212 -6.383 -9.861 1.00 0.47 H new ATOM 0 HB2 MET A 20 5.236 -3.849 -9.586 1.00 0.46 H new ATOM 0 HB3 MET A 20 3.855 -4.680 -8.897 1.00 0.46 H new ATOM 0 HG2 MET A 20 4.851 -4.519 -6.643 1.00 0.41 H new ATOM 0 HG3 MET A 20 6.282 -3.757 -7.309 1.00 0.41 H new ATOM 0 HE1 MET A 20 4.327 -1.311 -5.050 1.00 0.43 H new ATOM 0 HE2 MET A 20 5.456 -2.683 -5.139 1.00 0.43 H new ATOM 0 HE3 MET A 20 5.933 -1.096 -5.787 1.00 0.43 H new ATOM 180 N THR A 21 7.536 -5.527 -10.541 1.00 0.62 N ATOM 181 CA THR A 21 8.959 -5.381 -10.926 1.00 0.73 C ATOM 182 C THR A 21 9.290 -4.171 -11.814 1.00 0.57 C ATOM 183 O THR A 21 10.447 -3.734 -11.788 1.00 0.76 O ATOM 184 CB THR A 21 9.514 -6.672 -11.555 1.00 1.24 C ATOM 185 OG1 THR A 21 8.776 -7.054 -12.696 1.00 2.66 O ATOM 186 CG2 THR A 21 9.486 -7.832 -10.556 1.00 1.42 C ATOM 0 H THR A 21 6.896 -5.537 -11.335 1.00 0.62 H new ATOM 0 HA THR A 21 9.461 -5.186 -9.978 1.00 0.73 H new ATOM 0 HB THR A 21 10.543 -6.456 -11.843 1.00 1.24 H new ATOM 0 HG1 THR A 21 9.156 -7.876 -13.071 1.00 2.66 H new ATOM 0 HG21 THR A 21 9.884 -8.730 -11.029 1.00 1.42 H new ATOM 0 HG22 THR A 21 10.095 -7.579 -9.688 1.00 1.42 H new ATOM 0 HG23 THR A 21 8.459 -8.014 -10.239 1.00 1.42 H new ATOM 194 N CYS A 22 8.321 -3.588 -12.540 1.00 0.56 N ATOM 195 CA CYS A 22 8.547 -2.485 -13.474 1.00 0.67 C ATOM 196 C CYS A 22 7.909 -1.150 -13.023 1.00 0.55 C ATOM 197 O CYS A 22 7.015 -1.098 -12.173 1.00 0.48 O ATOM 198 CB CYS A 22 8.139 -2.939 -14.893 1.00 0.99 C ATOM 199 SG CYS A 22 6.466 -2.487 -15.446 1.00 1.26 S ATOM 0 H CYS A 22 7.345 -3.879 -12.489 1.00 0.56 H new ATOM 0 HA CYS A 22 9.611 -2.248 -13.489 1.00 0.67 H new ATOM 0 HB2 CYS A 22 8.855 -2.524 -15.602 1.00 0.99 H new ATOM 0 HB3 CYS A 22 8.232 -4.024 -14.943 1.00 0.99 H new ATOM 204 N GLN A 23 8.371 -0.064 -13.650 1.00 0.69 N ATOM 205 CA GLN A 23 8.024 1.325 -13.320 1.00 0.77 C ATOM 206 C GLN A 23 6.537 1.684 -13.559 1.00 0.80 C ATOM 207 O GLN A 23 6.053 2.665 -12.992 1.00 0.90 O ATOM 208 CB GLN A 23 8.976 2.262 -14.081 1.00 0.92 C ATOM 209 CG GLN A 23 10.440 2.121 -13.611 1.00 1.37 C ATOM 210 CD GLN A 23 10.642 2.581 -12.168 1.00 1.29 C ATOM 211 OE1 GLN A 23 10.451 3.741 -11.829 1.00 1.90 O ATOM 212 NE2 GLN A 23 10.994 1.707 -11.251 1.00 1.52 N ATOM 0 H GLN A 23 9.022 -0.129 -14.432 1.00 0.69 H new ATOM 0 HA GLN A 23 8.153 1.453 -12.245 1.00 0.77 H new ATOM 0 HB2 GLN A 23 8.917 2.047 -15.148 1.00 0.92 H new ATOM 0 HB3 GLN A 23 8.651 3.294 -13.946 1.00 0.92 H new ATOM 0 HG2 GLN A 23 10.748 1.080 -13.703 1.00 1.37 H new ATOM 0 HG3 GLN A 23 11.086 2.704 -14.268 1.00 1.37 H new ATOM 0 HE21 GLN A 23 11.159 0.734 -11.510 1.00 1.52 H new ATOM 0 HE22 GLN A 23 11.102 2.002 -10.281 1.00 1.52 H new ATOM 221 N SER A 24 5.784 0.883 -14.323 1.00 0.81 N ATOM 222 CA SER A 24 4.337 1.073 -14.566 1.00 0.91 C ATOM 223 C SER A 24 3.424 0.450 -13.503 1.00 0.87 C ATOM 224 O SER A 24 2.235 0.782 -13.464 1.00 1.19 O ATOM 225 CB SER A 24 3.938 0.586 -15.966 1.00 0.97 C ATOM 226 OG SER A 24 4.685 1.252 -16.971 1.00 1.23 O ATOM 0 H SER A 24 6.165 0.067 -14.802 1.00 0.81 H new ATOM 0 HA SER A 24 4.182 2.150 -14.497 1.00 0.91 H new ATOM 0 HB2 SER A 24 4.101 -0.489 -16.040 1.00 0.97 H new ATOM 0 HB3 SER A 24 2.874 0.759 -16.125 1.00 0.97 H new ATOM 0 HG SER A 24 4.413 0.923 -17.853 1.00 1.23 H new ATOM 232 N CYS A 25 3.941 -0.432 -12.641 1.00 0.60 N ATOM 233 CA CYS A 25 3.202 -0.928 -11.487 1.00 0.49 C ATOM 234 C CYS A 25 3.263 0.097 -10.333 1.00 0.35 C ATOM 235 O CYS A 25 2.239 0.492 -9.796 1.00 0.43 O ATOM 236 CB CYS A 25 3.783 -2.296 -11.110 1.00 0.63 C ATOM 237 SG CYS A 25 3.598 -3.601 -12.354 1.00 1.07 S ATOM 0 H CYS A 25 4.881 -0.818 -12.728 1.00 0.60 H new ATOM 0 HA CYS A 25 2.144 -1.056 -11.717 1.00 0.49 H new ATOM 0 HB2 CYS A 25 4.845 -2.172 -10.896 1.00 0.63 H new ATOM 0 HB3 CYS A 25 3.308 -2.630 -10.187 1.00 0.63 H new ATOM 242 N VAL A 26 4.470 0.562 -10.005 1.00 0.36 N ATOM 243 CA VAL A 26 4.817 1.523 -8.929 1.00 0.36 C ATOM 244 C VAL A 26 3.847 2.711 -8.905 1.00 0.36 C ATOM 245 O VAL A 26 3.186 2.949 -7.898 1.00 0.35 O ATOM 246 CB VAL A 26 6.261 2.057 -9.122 1.00 0.49 C ATOM 247 CG1 VAL A 26 7.034 2.321 -7.827 1.00 0.47 C ATOM 248 CG2 VAL A 26 7.118 1.119 -9.931 1.00 0.82 C ATOM 0 H VAL A 26 5.300 0.261 -10.516 1.00 0.36 H new ATOM 0 HA VAL A 26 4.744 0.988 -7.982 1.00 0.36 H new ATOM 0 HB VAL A 26 6.091 3.002 -9.637 1.00 0.49 H new ATOM 0 HG11 VAL A 26 8.031 2.691 -8.067 1.00 0.47 H new ATOM 0 HG12 VAL A 26 6.504 3.065 -7.232 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.118 1.395 -7.258 1.00 0.47 H new ATOM 0 HG21 VAL A 26 8.118 1.540 -10.037 1.00 0.82 H new ATOM 0 HG22 VAL A 26 7.181 0.156 -9.425 1.00 0.82 H new ATOM 0 HG23 VAL A 26 6.676 0.982 -10.918 1.00 0.82 H new ATOM 258 N ASP A 27 3.683 3.387 -10.048 1.00 0.43 N ATOM 259 CA ASP A 27 2.770 4.524 -10.230 1.00 0.46 C ATOM 260 C ASP A 27 1.307 4.142 -9.974 1.00 0.44 C ATOM 261 O ASP A 27 0.549 4.900 -9.373 1.00 0.49 O ATOM 262 CB ASP A 27 2.903 5.000 -11.682 1.00 0.64 C ATOM 263 CG ASP A 27 2.378 6.419 -11.909 1.00 1.30 C ATOM 264 OD1 ASP A 27 2.932 7.366 -11.306 1.00 1.79 O ATOM 265 OD2 ASP A 27 1.445 6.630 -12.720 1.00 2.60 O ATOM 0 H ASP A 27 4.196 3.152 -10.897 1.00 0.43 H new ATOM 0 HA ASP A 27 3.038 5.301 -9.514 1.00 0.46 H new ATOM 0 HB2 ASP A 27 3.952 4.958 -11.975 1.00 0.64 H new ATOM 0 HB3 ASP A 27 2.362 4.313 -12.332 1.00 0.64 H new ATOM 270 N ALA A 28 0.918 2.942 -10.407 1.00 0.46 N ATOM 271 CA ALA A 28 -0.452 2.457 -10.260 1.00 0.53 C ATOM 272 C ALA A 28 -0.773 2.054 -8.811 1.00 0.47 C ATOM 273 O ALA A 28 -1.818 2.442 -8.280 1.00 0.61 O ATOM 274 CB ALA A 28 -0.681 1.315 -11.249 1.00 0.58 C ATOM 0 H ALA A 28 1.543 2.281 -10.868 1.00 0.46 H new ATOM 0 HA ALA A 28 -1.144 3.266 -10.492 1.00 0.53 H new ATOM 0 HB1 ALA A 28 -1.701 0.945 -11.148 1.00 0.58 H new ATOM 0 HB2 ALA A 28 -0.525 1.677 -12.265 1.00 0.58 H new ATOM 0 HB3 ALA A 28 0.020 0.507 -11.040 1.00 0.58 H new ATOM 280 N VAL A 29 0.136 1.351 -8.118 1.00 0.35 N ATOM 281 CA VAL A 29 -0.068 0.983 -6.726 1.00 0.41 C ATOM 282 C VAL A 29 0.009 2.205 -5.807 1.00 0.49 C ATOM 283 O VAL A 29 -0.703 2.234 -4.811 1.00 0.81 O ATOM 284 CB VAL A 29 0.864 -0.167 -6.299 1.00 0.44 C ATOM 285 CG1 VAL A 29 0.304 -0.821 -5.040 1.00 0.55 C ATOM 286 CG2 VAL A 29 0.910 -1.331 -7.298 1.00 0.42 C ATOM 0 H VAL A 29 1.021 1.029 -8.510 1.00 0.35 H new ATOM 0 HA VAL A 29 -1.081 0.595 -6.624 1.00 0.41 H new ATOM 0 HB VAL A 29 1.846 0.293 -6.192 1.00 0.44 H new ATOM 0 HG11 VAL A 29 0.958 -1.636 -4.732 1.00 0.55 H new ATOM 0 HG12 VAL A 29 0.245 -0.081 -4.241 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -0.692 -1.213 -5.246 1.00 0.55 H new ATOM 0 HG21 VAL A 29 1.587 -2.101 -6.928 1.00 0.42 H new ATOM 0 HG22 VAL A 29 -0.089 -1.751 -7.414 1.00 0.42 H new ATOM 0 HG23 VAL A 29 1.265 -0.969 -8.263 1.00 0.42 H new ATOM 296 N ARG A 30 0.741 3.270 -6.179 1.00 0.34 N ATOM 297 CA ARG A 30 0.656 4.593 -5.530 1.00 0.39 C ATOM 298 C ARG A 30 -0.735 5.215 -5.713 1.00 0.50 C ATOM 299 O ARG A 30 -1.328 5.703 -4.753 1.00 0.63 O ATOM 300 CB ARG A 30 1.746 5.518 -6.134 1.00 0.41 C ATOM 301 CG ARG A 30 3.175 5.184 -5.670 1.00 0.38 C ATOM 302 CD ARG A 30 4.269 5.828 -6.557 1.00 0.48 C ATOM 303 NE ARG A 30 5.060 6.832 -5.810 1.00 1.19 N ATOM 304 CZ ARG A 30 5.943 7.686 -6.295 1.00 1.78 C ATOM 305 NH1 ARG A 30 6.320 7.706 -7.536 1.00 2.68 N ATOM 306 NH2 ARG A 30 6.478 8.568 -5.510 1.00 2.50 N ATOM 0 H ARG A 30 1.414 3.238 -6.945 1.00 0.34 H new ATOM 0 HA ARG A 30 0.821 4.474 -4.459 1.00 0.39 H new ATOM 0 HB2 ARG A 30 1.703 5.452 -7.221 1.00 0.41 H new ATOM 0 HB3 ARG A 30 1.520 6.551 -5.868 1.00 0.41 H new ATOM 0 HG2 ARG A 30 3.305 5.521 -4.642 1.00 0.38 H new ATOM 0 HG3 ARG A 30 3.307 4.102 -5.670 1.00 0.38 H new ATOM 0 HD2 ARG A 30 4.933 5.051 -6.937 1.00 0.48 H new ATOM 0 HD3 ARG A 30 3.804 6.301 -7.422 1.00 0.48 H new ATOM 0 HE ARG A 30 4.905 6.868 -4.803 1.00 1.19 H new ATOM 0 HH11 ARG A 30 5.929 7.036 -8.199 1.00 2.68 H new ATOM 0 HH12 ARG A 30 7.007 8.392 -7.849 1.00 2.68 H new ATOM 0 HH21 ARG A 30 6.216 8.599 -4.525 1.00 2.50 H new ATOM 0 HH22 ARG A 30 7.161 9.231 -5.878 1.00 2.50 H new ATOM 320 N LYS A 31 -1.291 5.172 -6.927 1.00 0.50 N ATOM 321 CA LYS A 31 -2.528 5.897 -7.284 1.00 0.58 C ATOM 322 C LYS A 31 -3.816 5.280 -6.740 1.00 0.66 C ATOM 323 O LYS A 31 -4.773 6.017 -6.490 1.00 0.74 O ATOM 324 CB LYS A 31 -2.556 6.134 -8.796 1.00 0.74 C ATOM 325 CG LYS A 31 -1.566 7.277 -9.031 1.00 0.75 C ATOM 326 CD LYS A 31 -1.259 7.546 -10.493 1.00 0.98 C ATOM 327 CE LYS A 31 -0.284 8.713 -10.424 1.00 1.05 C ATOM 328 NZ LYS A 31 0.281 9.022 -11.751 1.00 1.39 N ATOM 0 H LYS A 31 -0.899 4.632 -7.698 1.00 0.50 H new ATOM 0 HA LYS A 31 -2.497 6.861 -6.776 1.00 0.58 H new ATOM 0 HB2 LYS A 31 -2.262 5.238 -9.342 1.00 0.74 H new ATOM 0 HB3 LYS A 31 -3.557 6.401 -9.136 1.00 0.74 H new ATOM 0 HG2 LYS A 31 -1.966 8.186 -8.582 1.00 0.75 H new ATOM 0 HG3 LYS A 31 -0.635 7.048 -8.512 1.00 0.75 H new ATOM 0 HD2 LYS A 31 -0.816 6.677 -10.980 1.00 0.98 H new ATOM 0 HD3 LYS A 31 -2.157 7.802 -11.054 1.00 0.98 H new ATOM 0 HE2 LYS A 31 -0.794 9.592 -10.030 1.00 1.05 H new ATOM 0 HE3 LYS A 31 0.522 8.475 -9.730 1.00 1.05 H new ATOM 0 HZ1 LYS A 31 1.104 9.649 -11.641 1.00 1.39 H new ATOM 0 HZ2 LYS A 31 0.577 8.140 -12.216 1.00 1.39 H new ATOM 0 HZ3 LYS A 31 -0.439 9.495 -12.333 1.00 1.39 H new ATOM 342 N SER A 32 -3.805 3.982 -6.429 1.00 0.66 N ATOM 343 CA SER A 32 -4.859 3.320 -5.640 1.00 0.68 C ATOM 344 C SER A 32 -4.998 3.899 -4.217 1.00 0.66 C ATOM 345 O SER A 32 -6.094 3.885 -3.656 1.00 0.82 O ATOM 346 CB SER A 32 -4.560 1.818 -5.572 1.00 0.77 C ATOM 347 OG SER A 32 -5.632 1.112 -4.969 1.00 1.05 O ATOM 0 H SER A 32 -3.059 3.350 -6.718 1.00 0.66 H new ATOM 0 HA SER A 32 -5.810 3.500 -6.140 1.00 0.68 H new ATOM 0 HB2 SER A 32 -4.386 1.433 -6.577 1.00 0.77 H new ATOM 0 HB3 SER A 32 -3.645 1.651 -5.004 1.00 0.77 H new ATOM 0 HG SER A 32 -5.336 0.208 -4.732 1.00 1.05 H new ATOM 353 N LEU A 33 -3.910 4.445 -3.654 1.00 0.62 N ATOM 354 CA LEU A 33 -3.839 5.033 -2.305 1.00 0.65 C ATOM 355 C LEU A 33 -4.113 6.548 -2.309 1.00 0.59 C ATOM 356 O LEU A 33 -4.663 7.098 -1.357 1.00 0.63 O ATOM 357 CB LEU A 33 -2.425 4.818 -1.719 1.00 0.73 C ATOM 358 CG LEU A 33 -1.769 3.442 -1.923 1.00 0.54 C ATOM 359 CD1 LEU A 33 -0.276 3.492 -1.599 1.00 0.80 C ATOM 360 CD2 LEU A 33 -2.403 2.351 -1.076 1.00 0.47 C ATOM 0 H LEU A 33 -3.017 4.492 -4.145 1.00 0.62 H new ATOM 0 HA LEU A 33 -4.604 4.538 -1.706 1.00 0.65 H new ATOM 0 HB2 LEU A 33 -1.765 5.571 -2.150 1.00 0.73 H new ATOM 0 HB3 LEU A 33 -2.473 5.011 -0.647 1.00 0.73 H new ATOM 0 HG LEU A 33 -1.924 3.198 -2.974 1.00 0.54 H new ATOM 0 HD11 LEU A 33 0.163 2.506 -1.752 1.00 0.80 H new ATOM 0 HD12 LEU A 33 0.214 4.213 -2.253 1.00 0.80 H new ATOM 0 HD13 LEU A 33 -0.139 3.793 -0.560 1.00 0.80 H new ATOM 0 HD21 LEU A 33 -1.897 1.404 -1.264 1.00 0.47 H new ATOM 0 HD22 LEU A 33 -2.310 2.609 -0.021 1.00 0.47 H new ATOM 0 HD23 LEU A 33 -3.458 2.256 -1.334 1.00 0.47 H new ATOM 372 N GLN A 34 -3.676 7.232 -3.368 1.00 0.54 N ATOM 373 CA GLN A 34 -3.643 8.676 -3.483 1.00 0.51 C ATOM 374 C GLN A 34 -5.067 9.246 -3.561 1.00 0.56 C ATOM 375 O GLN A 34 -5.892 8.791 -4.358 1.00 0.63 O ATOM 376 CB GLN A 34 -2.740 8.956 -4.689 1.00 0.59 C ATOM 377 CG GLN A 34 -2.546 10.424 -5.047 1.00 1.54 C ATOM 378 CD GLN A 34 -1.508 10.592 -6.134 1.00 1.53 C ATOM 379 OE1 GLN A 34 -1.780 10.967 -7.270 1.00 2.05 O ATOM 380 NE2 GLN A 34 -0.280 10.295 -5.821 1.00 1.33 N ATOM 0 H GLN A 34 -3.321 6.765 -4.203 1.00 0.54 H new ATOM 0 HA GLN A 34 -3.229 9.184 -2.612 1.00 0.51 H new ATOM 0 HB2 GLN A 34 -1.761 8.517 -4.496 1.00 0.59 H new ATOM 0 HB3 GLN A 34 -3.155 8.442 -5.556 1.00 0.59 H new ATOM 0 HG2 GLN A 34 -3.494 10.848 -5.378 1.00 1.54 H new ATOM 0 HG3 GLN A 34 -2.240 10.979 -4.160 1.00 1.54 H new ATOM 0 HE21 GLN A 34 -0.056 9.983 -4.876 1.00 1.33 H new ATOM 0 HE22 GLN A 34 0.458 10.374 -6.521 1.00 1.33 H new ATOM 389 N GLY A 35 -5.361 10.215 -2.693 1.00 0.61 N ATOM 390 CA GLY A 35 -6.683 10.838 -2.559 1.00 0.71 C ATOM 391 C GLY A 35 -7.747 10.023 -1.806 1.00 0.74 C ATOM 392 O GLY A 35 -8.913 10.426 -1.804 1.00 0.95 O ATOM 0 H GLY A 35 -4.671 10.599 -2.047 1.00 0.61 H new ATOM 0 HA2 GLY A 35 -6.561 11.794 -2.050 1.00 0.71 H new ATOM 0 HA3 GLY A 35 -7.062 11.055 -3.558 1.00 0.71 H new ATOM 396 N VAL A 36 -7.385 8.901 -1.168 1.00 0.63 N ATOM 397 CA VAL A 36 -8.306 8.049 -0.405 1.00 0.70 C ATOM 398 C VAL A 36 -8.559 8.655 0.970 1.00 0.60 C ATOM 399 O VAL A 36 -7.640 9.038 1.698 1.00 0.47 O ATOM 400 CB VAL A 36 -7.788 6.601 -0.288 1.00 0.76 C ATOM 401 CG1 VAL A 36 -8.678 5.720 0.603 1.00 0.99 C ATOM 402 CG2 VAL A 36 -7.747 5.930 -1.666 1.00 0.93 C ATOM 0 H VAL A 36 -6.426 8.554 -1.168 1.00 0.63 H new ATOM 0 HA VAL A 36 -9.250 8.003 -0.948 1.00 0.70 H new ATOM 0 HB VAL A 36 -6.795 6.682 0.154 1.00 0.76 H new ATOM 0 HG11 VAL A 36 -8.264 4.713 0.648 1.00 0.99 H new ATOM 0 HG12 VAL A 36 -8.718 6.141 1.608 1.00 0.99 H new ATOM 0 HG13 VAL A 36 -9.684 5.680 0.186 1.00 0.99 H new ATOM 0 HG21 VAL A 36 -7.379 4.909 -1.563 1.00 0.93 H new ATOM 0 HG22 VAL A 36 -8.750 5.913 -2.092 1.00 0.93 H new ATOM 0 HG23 VAL A 36 -7.083 6.490 -2.324 1.00 0.93 H new ATOM 412 N ALA A 37 -9.829 8.720 1.348 1.00 0.76 N ATOM 413 CA ALA A 37 -10.255 9.142 2.681 1.00 0.77 C ATOM 414 C ALA A 37 -9.640 8.245 3.779 1.00 0.64 C ATOM 415 O ALA A 37 -9.933 7.048 3.855 1.00 0.70 O ATOM 416 CB ALA A 37 -11.788 9.157 2.734 1.00 1.01 C ATOM 0 H ALA A 37 -10.604 8.478 0.731 1.00 0.76 H new ATOM 0 HA ALA A 37 -9.891 10.151 2.877 1.00 0.77 H new ATOM 0 HB1 ALA A 37 -12.115 9.471 3.725 1.00 1.01 H new ATOM 0 HB2 ALA A 37 -12.171 9.854 1.988 1.00 1.01 H new ATOM 0 HB3 ALA A 37 -12.169 8.157 2.526 1.00 1.01 H new ATOM 422 N GLY A 38 -8.815 8.837 4.648 1.00 0.56 N ATOM 423 CA GLY A 38 -8.067 8.179 5.724 1.00 0.50 C ATOM 424 C GLY A 38 -6.568 7.975 5.465 1.00 0.46 C ATOM 425 O GLY A 38 -5.878 7.432 6.328 1.00 0.45 O ATOM 0 H GLY A 38 -8.642 9.842 4.618 1.00 0.56 H new ATOM 0 HA2 GLY A 38 -8.183 8.767 6.634 1.00 0.50 H new ATOM 0 HA3 GLY A 38 -8.520 7.206 5.914 1.00 0.50 H new ATOM 429 N VAL A 39 -6.021 8.413 4.326 1.00 0.50 N ATOM 430 CA VAL A 39 -4.571 8.433 4.047 1.00 0.51 C ATOM 431 C VAL A 39 -3.942 9.771 4.465 1.00 0.59 C ATOM 432 O VAL A 39 -4.549 10.827 4.281 1.00 0.86 O ATOM 433 CB VAL A 39 -4.309 8.092 2.562 1.00 0.67 C ATOM 434 CG1 VAL A 39 -4.345 9.287 1.601 1.00 1.71 C ATOM 435 CG2 VAL A 39 -2.967 7.370 2.396 1.00 1.70 C ATOM 0 H VAL A 39 -6.581 8.772 3.553 1.00 0.50 H new ATOM 0 HA VAL A 39 -4.085 7.665 4.649 1.00 0.51 H new ATOM 0 HB VAL A 39 -5.143 7.446 2.286 1.00 0.67 H new ATOM 0 HG11 VAL A 39 -4.150 8.943 0.585 1.00 1.71 H new ATOM 0 HG12 VAL A 39 -5.327 9.758 1.642 1.00 1.71 H new ATOM 0 HG13 VAL A 39 -3.584 10.011 1.892 1.00 1.71 H new ATOM 0 HG21 VAL A 39 -2.805 7.141 1.343 1.00 1.70 H new ATOM 0 HG22 VAL A 39 -2.162 8.011 2.756 1.00 1.70 H new ATOM 0 HG23 VAL A 39 -2.978 6.444 2.971 1.00 1.70 H new ATOM 445 N GLN A 40 -2.733 9.748 5.030 1.00 0.47 N ATOM 446 CA GLN A 40 -1.910 10.937 5.271 1.00 0.53 C ATOM 447 C GLN A 40 -0.677 11.026 4.367 1.00 0.59 C ATOM 448 O GLN A 40 -0.371 12.102 3.856 1.00 0.79 O ATOM 449 CB GLN A 40 -1.488 10.965 6.741 1.00 0.55 C ATOM 450 CG GLN A 40 -2.605 11.519 7.629 1.00 0.67 C ATOM 451 CD GLN A 40 -2.121 11.981 9.002 1.00 1.98 C ATOM 452 OE1 GLN A 40 -0.940 12.203 9.239 1.00 3.23 O ATOM 453 NE2 GLN A 40 -3.012 12.206 9.938 1.00 2.24 N ATOM 0 H GLN A 40 -2.288 8.884 5.340 1.00 0.47 H new ATOM 0 HA GLN A 40 -2.523 11.804 5.027 1.00 0.53 H new ATOM 0 HB2 GLN A 40 -1.228 9.958 7.066 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -0.593 11.578 6.853 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -3.081 12.357 7.120 1.00 0.67 H new ATOM 0 HG3 GLN A 40 -3.368 10.751 7.761 1.00 0.67 H new ATOM 0 HE21 GLN A 40 -3.999 12.026 9.756 1.00 2.24 H new ATOM 0 HE22 GLN A 40 -2.717 12.561 10.848 1.00 2.24 H new ATOM 462 N ASP A 41 0.038 9.915 4.194 1.00 0.49 N ATOM 463 CA ASP A 41 1.264 9.794 3.402 1.00 0.50 C ATOM 464 C ASP A 41 1.376 8.356 2.858 1.00 0.36 C ATOM 465 O ASP A 41 0.737 7.425 3.357 1.00 0.32 O ATOM 466 CB ASP A 41 2.506 10.110 4.262 1.00 0.54 C ATOM 467 CG ASP A 41 2.649 11.563 4.736 1.00 1.00 C ATOM 468 OD1 ASP A 41 2.844 12.492 3.909 1.00 1.45 O ATOM 469 OD2 ASP A 41 2.677 11.785 5.971 1.00 2.24 O ATOM 0 H ASP A 41 -0.234 9.031 4.623 1.00 0.49 H new ATOM 0 HA ASP A 41 1.219 10.507 2.579 1.00 0.50 H new ATOM 0 HB2 ASP A 41 2.489 9.463 5.139 1.00 0.54 H new ATOM 0 HB3 ASP A 41 3.395 9.847 3.689 1.00 0.54 H new ATOM 474 N VAL A 42 2.228 8.165 1.855 1.00 0.33 N ATOM 475 CA VAL A 42 2.561 6.880 1.216 1.00 0.32 C ATOM 476 C VAL A 42 4.032 6.862 0.791 1.00 0.33 C ATOM 477 O VAL A 42 4.601 7.918 0.507 1.00 0.38 O ATOM 478 CB VAL A 42 1.668 6.618 -0.017 1.00 0.48 C ATOM 479 CG1 VAL A 42 0.190 6.501 0.370 1.00 0.95 C ATOM 480 CG2 VAL A 42 1.775 7.662 -1.143 1.00 0.65 C ATOM 0 H VAL A 42 2.738 8.943 1.437 1.00 0.33 H new ATOM 0 HA VAL A 42 2.383 6.092 1.948 1.00 0.32 H new ATOM 0 HB VAL A 42 2.055 5.676 -0.407 1.00 0.48 H new ATOM 0 HG11 VAL A 42 -0.407 6.317 -0.523 1.00 0.95 H new ATOM 0 HG12 VAL A 42 0.061 5.675 1.069 1.00 0.95 H new ATOM 0 HG13 VAL A 42 -0.137 7.428 0.840 1.00 0.95 H new ATOM 0 HG21 VAL A 42 1.109 7.385 -1.960 1.00 0.65 H new ATOM 0 HG22 VAL A 42 1.491 8.642 -0.759 1.00 0.65 H new ATOM 0 HG23 VAL A 42 2.801 7.699 -1.508 1.00 0.65 H new ATOM 490 N GLU A 43 4.664 5.689 0.711 1.00 0.35 N ATOM 491 CA GLU A 43 5.955 5.508 0.034 1.00 0.46 C ATOM 492 C GLU A 43 6.099 4.067 -0.491 1.00 0.43 C ATOM 493 O GLU A 43 5.891 3.107 0.243 1.00 0.54 O ATOM 494 CB GLU A 43 7.115 5.891 0.977 1.00 0.60 C ATOM 495 CG GLU A 43 8.481 5.716 0.289 1.00 0.77 C ATOM 496 CD GLU A 43 9.529 6.763 0.701 1.00 1.46 C ATOM 497 OE1 GLU A 43 9.916 6.837 1.892 1.00 2.17 O ATOM 498 OE2 GLU A 43 9.989 7.531 -0.182 1.00 2.78 O ATOM 0 H GLU A 43 4.293 4.830 1.117 1.00 0.35 H new ATOM 0 HA GLU A 43 5.995 6.173 -0.828 1.00 0.46 H new ATOM 0 HB2 GLU A 43 6.998 6.926 1.298 1.00 0.60 H new ATOM 0 HB3 GLU A 43 7.076 5.273 1.874 1.00 0.60 H new ATOM 0 HG2 GLU A 43 8.866 4.722 0.517 1.00 0.77 H new ATOM 0 HG3 GLU A 43 8.341 5.763 -0.791 1.00 0.77 H new ATOM 505 N VAL A 44 6.471 3.883 -1.758 1.00 0.38 N ATOM 506 CA VAL A 44 6.673 2.561 -2.363 1.00 0.32 C ATOM 507 C VAL A 44 8.157 2.284 -2.600 1.00 0.33 C ATOM 508 O VAL A 44 8.861 3.053 -3.259 1.00 0.56 O ATOM 509 CB VAL A 44 5.785 2.394 -3.599 1.00 0.46 C ATOM 510 CG1 VAL A 44 6.038 3.392 -4.719 1.00 1.56 C ATOM 511 CG2 VAL A 44 5.929 0.998 -4.186 1.00 2.02 C ATOM 0 H VAL A 44 6.643 4.655 -2.402 1.00 0.38 H new ATOM 0 HA VAL A 44 6.352 1.787 -1.666 1.00 0.32 H new ATOM 0 HB VAL A 44 4.779 2.577 -3.222 1.00 0.46 H new ATOM 0 HG11 VAL A 44 5.359 3.189 -5.547 1.00 1.56 H new ATOM 0 HG12 VAL A 44 5.868 4.404 -4.350 1.00 1.56 H new ATOM 0 HG13 VAL A 44 7.068 3.299 -5.063 1.00 1.56 H new ATOM 0 HG21 VAL A 44 5.288 0.904 -5.063 1.00 2.02 H new ATOM 0 HG22 VAL A 44 6.967 0.830 -4.475 1.00 2.02 H new ATOM 0 HG23 VAL A 44 5.635 0.258 -3.441 1.00 2.02 H new ATOM 521 N HIS A 45 8.626 1.153 -2.075 1.00 0.31 N ATOM 522 CA HIS A 45 9.981 0.652 -2.261 1.00 0.30 C ATOM 523 C HIS A 45 9.967 -0.561 -3.193 1.00 0.30 C ATOM 524 O HIS A 45 9.929 -1.710 -2.748 1.00 0.36 O ATOM 525 CB HIS A 45 10.629 0.294 -0.908 1.00 0.42 C ATOM 526 CG HIS A 45 10.932 1.435 0.033 1.00 0.46 C ATOM 527 ND1 HIS A 45 12.184 1.870 0.409 1.00 0.62 N ATOM 528 CD2 HIS A 45 10.028 2.115 0.802 1.00 0.51 C ATOM 529 CE1 HIS A 45 12.036 2.801 1.365 1.00 0.74 C ATOM 530 NE2 HIS A 45 10.734 2.967 1.667 1.00 0.71 N ATOM 0 H HIS A 45 8.053 0.544 -1.491 1.00 0.31 H new ATOM 0 HA HIS A 45 10.581 1.439 -2.718 1.00 0.30 H new ATOM 0 HB2 HIS A 45 9.970 -0.404 -0.392 1.00 0.42 H new ATOM 0 HB3 HIS A 45 11.560 -0.235 -1.109 1.00 0.42 H new ATOM 0 HD2 HIS A 45 8.954 2.014 0.752 1.00 0.51 H new ATOM 0 HE1 HIS A 45 12.848 3.342 1.828 1.00 0.74 H new ATOM 0 HE2 HIS A 45 10.341 3.584 2.378 1.00 0.71 H new ATOM 538 N LEU A 46 10.050 -0.319 -4.501 1.00 0.30 N ATOM 539 CA LEU A 46 10.293 -1.362 -5.500 1.00 0.40 C ATOM 540 C LEU A 46 11.557 -2.163 -5.177 1.00 0.46 C ATOM 541 O LEU A 46 11.572 -3.387 -5.247 1.00 0.65 O ATOM 542 CB LEU A 46 10.353 -0.673 -6.860 1.00 0.48 C ATOM 543 CG LEU A 46 10.546 -1.568 -8.106 1.00 0.79 C ATOM 544 CD1 LEU A 46 10.147 -3.034 -7.996 1.00 1.87 C ATOM 545 CD2 LEU A 46 9.560 -1.051 -9.138 1.00 1.30 C ATOM 0 H LEU A 46 9.950 0.614 -4.901 1.00 0.30 H new ATOM 0 HA LEU A 46 9.489 -2.098 -5.502 1.00 0.40 H new ATOM 0 HB2 LEU A 46 9.430 -0.108 -6.992 1.00 0.48 H new ATOM 0 HB3 LEU A 46 11.169 0.050 -6.835 1.00 0.48 H new ATOM 0 HG LEU A 46 11.616 -1.524 -8.311 1.00 0.79 H new ATOM 0 HD11 LEU A 46 10.338 -3.535 -8.945 1.00 1.87 H new ATOM 0 HD12 LEU A 46 10.730 -3.512 -7.209 1.00 1.87 H new ATOM 0 HD13 LEU A 46 9.086 -3.105 -7.756 1.00 1.87 H new ATOM 0 HD21 LEU A 46 9.644 -1.643 -10.050 1.00 1.30 H new ATOM 0 HD22 LEU A 46 8.546 -1.131 -8.745 1.00 1.30 H new ATOM 0 HD23 LEU A 46 9.781 -0.007 -9.361 1.00 1.30 H new ATOM 557 N GLU A 47 12.576 -1.482 -4.672 1.00 0.45 N ATOM 558 CA GLU A 47 13.827 -2.100 -4.208 1.00 0.65 C ATOM 559 C GLU A 47 13.686 -3.043 -2.990 1.00 0.74 C ATOM 560 O GLU A 47 14.666 -3.680 -2.606 1.00 1.15 O ATOM 561 CB GLU A 47 14.874 -1.002 -3.994 1.00 0.75 C ATOM 562 CG GLU A 47 15.320 -0.435 -5.350 1.00 0.92 C ATOM 563 CD GLU A 47 15.924 0.959 -5.181 1.00 1.79 C ATOM 564 OE1 GLU A 47 17.016 1.081 -4.573 1.00 3.02 O ATOM 565 OE2 GLU A 47 15.278 1.939 -5.631 1.00 2.56 O ATOM 0 H GLU A 47 12.564 -0.467 -4.568 1.00 0.45 H new ATOM 0 HA GLU A 47 14.159 -2.778 -4.994 1.00 0.65 H new ATOM 0 HB2 GLU A 47 14.458 -0.206 -3.376 1.00 0.75 H new ATOM 0 HB3 GLU A 47 15.733 -1.406 -3.458 1.00 0.75 H new ATOM 0 HG2 GLU A 47 16.053 -1.101 -5.805 1.00 0.92 H new ATOM 0 HG3 GLU A 47 14.468 -0.388 -6.028 1.00 0.92 H new ATOM 572 N ASP A 48 12.489 -3.187 -2.403 1.00 0.44 N ATOM 573 CA ASP A 48 12.102 -4.315 -1.539 1.00 0.36 C ATOM 574 C ASP A 48 10.841 -5.080 -2.020 1.00 0.31 C ATOM 575 O ASP A 48 10.420 -6.043 -1.373 1.00 0.39 O ATOM 576 CB ASP A 48 11.919 -3.805 -0.096 1.00 0.45 C ATOM 577 CG ASP A 48 12.813 -4.537 0.904 1.00 1.03 C ATOM 578 OD1 ASP A 48 12.916 -5.784 0.834 1.00 1.71 O ATOM 579 OD2 ASP A 48 13.450 -3.854 1.742 1.00 1.94 O ATOM 0 H ASP A 48 11.741 -2.503 -2.519 1.00 0.44 H new ATOM 0 HA ASP A 48 12.910 -5.045 -1.587 1.00 0.36 H new ATOM 0 HB2 ASP A 48 12.139 -2.738 -0.061 1.00 0.45 H new ATOM 0 HB3 ASP A 48 10.876 -3.925 0.198 1.00 0.45 H new ATOM 584 N GLN A 49 10.208 -4.646 -3.120 1.00 0.28 N ATOM 585 CA GLN A 49 8.808 -4.927 -3.496 1.00 0.28 C ATOM 586 C GLN A 49 7.828 -4.669 -2.330 1.00 0.28 C ATOM 587 O GLN A 49 6.923 -5.462 -2.064 1.00 0.38 O ATOM 588 CB GLN A 49 8.648 -6.336 -4.088 1.00 0.35 C ATOM 589 CG GLN A 49 9.593 -6.708 -5.215 1.00 0.38 C ATOM 590 CD GLN A 49 9.163 -8.006 -5.895 1.00 1.83 C ATOM 591 OE1 GLN A 49 9.417 -9.110 -5.424 1.00 2.20 O ATOM 592 NE2 GLN A 49 8.462 -7.929 -7.001 1.00 3.41 N ATOM 0 H GLN A 49 10.680 -4.060 -3.809 1.00 0.28 H new ATOM 0 HA GLN A 49 8.544 -4.221 -4.283 1.00 0.28 H new ATOM 0 HB2 GLN A 49 8.775 -7.060 -3.283 1.00 0.35 H new ATOM 0 HB3 GLN A 49 7.626 -6.439 -4.452 1.00 0.35 H new ATOM 0 HG2 GLN A 49 9.622 -5.903 -5.949 1.00 0.38 H new ATOM 0 HG3 GLN A 49 10.604 -6.818 -4.823 1.00 0.38 H new ATOM 0 HE21 GLN A 49 8.243 -7.018 -7.404 1.00 3.41 H new ATOM 0 HE22 GLN A 49 8.135 -8.780 -7.458 1.00 3.41 H new ATOM 601 N MET A 50 8.034 -3.563 -1.609 1.00 0.26 N ATOM 602 CA MET A 50 7.286 -3.193 -0.406 1.00 0.25 C ATOM 603 C MET A 50 6.538 -1.864 -0.581 1.00 0.23 C ATOM 604 O MET A 50 6.978 -0.986 -1.323 1.00 0.28 O ATOM 605 CB MET A 50 8.244 -3.170 0.798 1.00 0.32 C ATOM 606 CG MET A 50 7.607 -2.681 2.108 1.00 0.38 C ATOM 607 SD MET A 50 8.453 -3.205 3.619 1.00 0.90 S ATOM 608 CE MET A 50 7.887 -4.930 3.659 1.00 0.66 C ATOM 0 H MET A 50 8.749 -2.879 -1.855 1.00 0.26 H new ATOM 0 HA MET A 50 6.515 -3.942 -0.223 1.00 0.25 H new ATOM 0 HB2 MET A 50 8.638 -4.175 0.953 1.00 0.32 H new ATOM 0 HB3 MET A 50 9.092 -2.529 0.559 1.00 0.32 H new ATOM 0 HG2 MET A 50 7.570 -1.592 2.091 1.00 0.38 H new ATOM 0 HG3 MET A 50 6.577 -3.035 2.146 1.00 0.38 H new ATOM 0 HE1 MET A 50 7.273 -5.091 4.545 1.00 0.66 H new ATOM 0 HE2 MET A 50 7.298 -5.141 2.766 1.00 0.66 H new ATOM 0 HE3 MET A 50 8.750 -5.595 3.690 1.00 0.66 H new ATOM 618 N VAL A 51 5.424 -1.689 0.131 1.00 0.22 N ATOM 619 CA VAL A 51 4.602 -0.474 0.121 1.00 0.26 C ATOM 620 C VAL A 51 4.308 -0.018 1.553 1.00 0.24 C ATOM 621 O VAL A 51 3.858 -0.816 2.377 1.00 0.29 O ATOM 622 CB VAL A 51 3.287 -0.683 -0.669 1.00 0.33 C ATOM 623 CG1 VAL A 51 2.819 0.671 -1.198 1.00 0.58 C ATOM 624 CG2 VAL A 51 3.411 -1.608 -1.881 1.00 0.65 C ATOM 0 H VAL A 51 5.056 -2.411 0.751 1.00 0.22 H new ATOM 0 HA VAL A 51 5.167 0.308 -0.386 1.00 0.26 H new ATOM 0 HB VAL A 51 2.592 -1.147 0.031 1.00 0.33 H new ATOM 0 HG11 VAL A 51 1.893 0.542 -1.758 1.00 0.58 H new ATOM 0 HG12 VAL A 51 2.647 1.349 -0.362 1.00 0.58 H new ATOM 0 HG13 VAL A 51 3.583 1.090 -1.853 1.00 0.58 H new ATOM 0 HG21 VAL A 51 2.442 -1.696 -2.373 1.00 0.65 H new ATOM 0 HG22 VAL A 51 4.137 -1.195 -2.581 1.00 0.65 H new ATOM 0 HG23 VAL A 51 3.742 -2.594 -1.554 1.00 0.65 H new ATOM 634 N LEU A 52 4.561 1.261 1.835 1.00 0.30 N ATOM 635 CA LEU A 52 4.206 1.969 3.064 1.00 0.29 C ATOM 636 C LEU A 52 2.955 2.808 2.838 1.00 0.25 C ATOM 637 O LEU A 52 2.855 3.562 1.866 1.00 0.27 O ATOM 638 CB LEU A 52 5.351 2.883 3.546 1.00 0.34 C ATOM 639 CG LEU A 52 6.497 2.137 4.250 1.00 0.35 C ATOM 640 CD1 LEU A 52 7.525 1.575 3.269 1.00 0.86 C ATOM 641 CD2 LEU A 52 7.235 3.089 5.187 1.00 0.94 C ATOM 0 H LEU A 52 5.048 1.865 1.172 1.00 0.30 H new ATOM 0 HA LEU A 52 4.020 1.219 3.833 1.00 0.29 H new ATOM 0 HB2 LEU A 52 5.755 3.423 2.690 1.00 0.34 H new ATOM 0 HB3 LEU A 52 4.943 3.628 4.229 1.00 0.34 H new ATOM 0 HG LEU A 52 6.038 1.310 4.792 1.00 0.35 H new ATOM 0 HD11 LEU A 52 8.311 1.059 3.821 1.00 0.86 H new ATOM 0 HD12 LEU A 52 7.037 0.874 2.592 1.00 0.86 H new ATOM 0 HD13 LEU A 52 7.962 2.391 2.693 1.00 0.86 H new ATOM 0 HD21 LEU A 52 8.046 2.555 5.683 1.00 0.94 H new ATOM 0 HD22 LEU A 52 7.645 3.920 4.613 1.00 0.94 H new ATOM 0 HD23 LEU A 52 6.542 3.473 5.936 1.00 0.94 H new ATOM 653 N VAL A 53 2.014 2.687 3.768 1.00 0.22 N ATOM 654 CA VAL A 53 0.734 3.386 3.750 1.00 0.19 C ATOM 655 C VAL A 53 0.505 3.945 5.150 1.00 0.17 C ATOM 656 O VAL A 53 0.326 3.182 6.101 1.00 0.21 O ATOM 657 CB VAL A 53 -0.398 2.441 3.296 1.00 0.19 C ATOM 658 CG1 VAL A 53 -1.675 3.248 3.039 1.00 0.22 C ATOM 659 CG2 VAL A 53 -0.067 1.668 2.010 1.00 0.23 C ATOM 0 H VAL A 53 2.124 2.081 4.581 1.00 0.22 H new ATOM 0 HA VAL A 53 0.741 4.205 3.031 1.00 0.19 H new ATOM 0 HB VAL A 53 -0.529 1.719 4.102 1.00 0.19 H new ATOM 0 HG11 VAL A 53 -2.472 2.576 2.719 1.00 0.22 H new ATOM 0 HG12 VAL A 53 -1.975 3.756 3.956 1.00 0.22 H new ATOM 0 HG13 VAL A 53 -1.488 3.987 2.260 1.00 0.22 H new ATOM 0 HG21 VAL A 53 -0.905 1.023 1.747 1.00 0.23 H new ATOM 0 HG22 VAL A 53 0.116 2.373 1.199 1.00 0.23 H new ATOM 0 HG23 VAL A 53 0.823 1.060 2.170 1.00 0.23 H new ATOM 669 N HIS A 54 0.560 5.267 5.281 1.00 0.18 N ATOM 670 CA HIS A 54 0.385 5.986 6.544 1.00 0.19 C ATOM 671 C HIS A 54 -1.095 6.386 6.663 1.00 0.24 C ATOM 672 O HIS A 54 -1.537 7.342 6.016 1.00 0.31 O ATOM 673 CB HIS A 54 1.339 7.196 6.573 1.00 0.27 C ATOM 674 CG HIS A 54 2.791 6.858 6.291 1.00 0.37 C ATOM 675 ND1 HIS A 54 3.809 6.830 7.213 1.00 0.64 N ATOM 676 CD2 HIS A 54 3.349 6.499 5.093 1.00 0.38 C ATOM 677 CE1 HIS A 54 4.941 6.462 6.593 1.00 0.76 C ATOM 678 NE2 HIS A 54 4.717 6.273 5.281 1.00 0.60 N ATOM 0 H HIS A 54 0.732 5.888 4.490 1.00 0.18 H new ATOM 0 HA HIS A 54 0.636 5.365 7.404 1.00 0.19 H new ATOM 0 HB2 HIS A 54 1.000 7.928 5.840 1.00 0.27 H new ATOM 0 HB3 HIS A 54 1.273 7.672 7.552 1.00 0.27 H new ATOM 0 HD2 HIS A 54 2.820 6.406 4.156 1.00 0.38 H new ATOM 0 HE1 HIS A 54 5.897 6.336 7.079 1.00 0.76 H new ATOM 0 HE2 HIS A 54 5.402 6.018 4.570 1.00 0.60 H new ATOM 686 N THR A 55 -1.901 5.612 7.398 1.00 0.23 N ATOM 687 CA THR A 55 -3.371 5.671 7.274 1.00 0.27 C ATOM 688 C THR A 55 -4.157 5.258 8.530 1.00 0.26 C ATOM 689 O THR A 55 -3.672 4.487 9.358 1.00 0.27 O ATOM 690 CB THR A 55 -3.805 4.797 6.080 1.00 0.35 C ATOM 691 OG1 THR A 55 -5.186 4.887 5.857 1.00 0.43 O ATOM 692 CG2 THR A 55 -3.503 3.305 6.247 1.00 0.35 C ATOM 0 H THR A 55 -1.566 4.937 8.085 1.00 0.23 H new ATOM 0 HA THR A 55 -3.615 6.722 7.122 1.00 0.27 H new ATOM 0 HB THR A 55 -3.223 5.192 5.247 1.00 0.35 H new ATOM 0 HG1 THR A 55 -5.452 5.830 5.831 1.00 0.43 H new ATOM 0 HG21 THR A 55 -3.840 2.764 5.363 1.00 0.35 H new ATOM 0 HG22 THR A 55 -2.430 3.163 6.372 1.00 0.35 H new ATOM 0 HG23 THR A 55 -4.024 2.924 7.126 1.00 0.35 H new ATOM 700 N THR A 56 -5.402 5.736 8.657 1.00 0.29 N ATOM 701 CA THR A 56 -6.388 5.331 9.682 1.00 0.34 C ATOM 702 C THR A 56 -7.196 4.082 9.306 1.00 0.41 C ATOM 703 O THR A 56 -7.969 3.576 10.125 1.00 0.54 O ATOM 704 CB THR A 56 -7.377 6.471 9.984 1.00 0.43 C ATOM 705 OG1 THR A 56 -8.117 6.746 8.819 1.00 0.57 O ATOM 706 CG2 THR A 56 -6.704 7.774 10.397 1.00 0.39 C ATOM 0 H THR A 56 -5.771 6.446 8.024 1.00 0.29 H new ATOM 0 HA THR A 56 -5.792 5.093 10.563 1.00 0.34 H new ATOM 0 HB THR A 56 -7.993 6.129 10.815 1.00 0.43 H new ATOM 0 HG1 THR A 56 -8.753 7.470 8.998 1.00 0.57 H new ATOM 0 HG21 THR A 56 -7.464 8.530 10.593 1.00 0.39 H new ATOM 0 HG22 THR A 56 -6.115 7.609 11.299 1.00 0.39 H new ATOM 0 HG23 THR A 56 -6.051 8.116 9.594 1.00 0.39 H new ATOM 714 N LEU A 57 -7.043 3.576 8.076 1.00 0.40 N ATOM 715 CA LEU A 57 -7.754 2.394 7.578 1.00 0.44 C ATOM 716 C LEU A 57 -7.199 1.096 8.199 1.00 0.48 C ATOM 717 O LEU A 57 -5.988 1.014 8.431 1.00 0.61 O ATOM 718 CB LEU A 57 -7.673 2.346 6.041 1.00 0.44 C ATOM 719 CG LEU A 57 -8.260 3.568 5.307 1.00 0.47 C ATOM 720 CD1 LEU A 57 -8.251 3.309 3.800 1.00 0.48 C ATOM 721 CD2 LEU A 57 -9.687 3.892 5.736 1.00 0.57 C ATOM 0 H LEU A 57 -6.410 3.984 7.388 1.00 0.40 H new ATOM 0 HA LEU A 57 -8.800 2.472 7.876 1.00 0.44 H new ATOM 0 HB2 LEU A 57 -6.627 2.239 5.753 1.00 0.44 H new ATOM 0 HB3 LEU A 57 -8.192 1.452 5.695 1.00 0.44 H new ATOM 0 HG LEU A 57 -7.634 4.422 5.567 1.00 0.47 H new ATOM 0 HD11 LEU A 57 -8.666 4.172 3.280 1.00 0.48 H new ATOM 0 HD12 LEU A 57 -7.227 3.142 3.466 1.00 0.48 H new ATOM 0 HD13 LEU A 57 -8.854 2.428 3.579 1.00 0.48 H new ATOM 0 HD21 LEU A 57 -10.044 4.761 5.184 1.00 0.57 H new ATOM 0 HD22 LEU A 57 -10.332 3.039 5.527 1.00 0.57 H new ATOM 0 HD23 LEU A 57 -9.706 4.108 6.804 1.00 0.57 H new ATOM 733 N PRO A 58 -8.025 0.057 8.439 1.00 0.41 N ATOM 734 CA PRO A 58 -7.554 -1.243 8.920 1.00 0.45 C ATOM 735 C PRO A 58 -6.752 -1.926 7.805 1.00 0.42 C ATOM 736 O PRO A 58 -7.120 -1.809 6.636 1.00 0.43 O ATOM 737 CB PRO A 58 -8.826 -2.045 9.264 1.00 0.49 C ATOM 738 CG PRO A 58 -9.960 -1.019 9.218 1.00 0.49 C ATOM 739 CD PRO A 58 -9.446 -0.057 8.159 1.00 0.40 C ATOM 0 HA PRO A 58 -6.902 -1.162 9.790 1.00 0.45 H new ATOM 0 HB2 PRO A 58 -8.992 -2.850 8.548 1.00 0.49 H new ATOM 0 HB3 PRO A 58 -8.749 -2.505 10.249 1.00 0.49 H new ATOM 0 HG2 PRO A 58 -10.912 -1.470 8.937 1.00 0.49 H new ATOM 0 HG3 PRO A 58 -10.111 -0.529 10.180 1.00 0.49 H new ATOM 0 HD2 PRO A 58 -9.624 -0.439 7.154 1.00 0.40 H new ATOM 0 HD3 PRO A 58 -9.944 0.911 8.225 1.00 0.40 H new ATOM 747 N SER A 59 -5.704 -2.697 8.105 1.00 0.42 N ATOM 748 CA SER A 59 -4.945 -3.401 7.049 1.00 0.39 C ATOM 749 C SER A 59 -5.787 -4.405 6.250 1.00 0.33 C ATOM 750 O SER A 59 -5.463 -4.659 5.093 1.00 0.35 O ATOM 751 CB SER A 59 -3.671 -4.075 7.567 1.00 0.46 C ATOM 752 OG SER A 59 -3.703 -4.298 8.967 1.00 0.66 O ATOM 0 H SER A 59 -5.360 -2.853 9.052 1.00 0.42 H new ATOM 0 HA SER A 59 -4.649 -2.606 6.365 1.00 0.39 H new ATOM 0 HB2 SER A 59 -3.534 -5.027 7.054 1.00 0.46 H new ATOM 0 HB3 SER A 59 -2.810 -3.454 7.321 1.00 0.46 H new ATOM 0 HG SER A 59 -3.052 -4.991 9.203 1.00 0.66 H new ATOM 758 N GLN A 60 -6.907 -4.881 6.797 1.00 0.34 N ATOM 759 CA GLN A 60 -7.957 -5.600 6.071 1.00 0.41 C ATOM 760 C GLN A 60 -8.468 -4.794 4.859 1.00 0.44 C ATOM 761 O GLN A 60 -8.628 -5.330 3.764 1.00 0.57 O ATOM 762 CB GLN A 60 -9.145 -5.899 7.013 1.00 0.59 C ATOM 763 CG GLN A 60 -8.853 -6.742 8.271 1.00 0.70 C ATOM 764 CD GLN A 60 -8.419 -5.952 9.506 1.00 1.45 C ATOM 765 OE1 GLN A 60 -7.720 -4.949 9.451 1.00 2.79 O ATOM 766 NE2 GLN A 60 -8.793 -6.377 10.687 1.00 1.70 N ATOM 0 H GLN A 60 -7.115 -4.773 7.790 1.00 0.34 H new ATOM 0 HA GLN A 60 -7.522 -6.531 5.708 1.00 0.41 H new ATOM 0 HB2 GLN A 60 -9.568 -4.948 7.335 1.00 0.59 H new ATOM 0 HB3 GLN A 60 -9.914 -6.411 6.435 1.00 0.59 H new ATOM 0 HG2 GLN A 60 -9.748 -7.311 8.521 1.00 0.70 H new ATOM 0 HG3 GLN A 60 -8.073 -7.464 8.030 1.00 0.70 H new ATOM 0 HE21 GLN A 60 -9.376 -7.210 10.768 1.00 1.70 H new ATOM 0 HE22 GLN A 60 -8.501 -5.875 11.526 1.00 1.70 H new ATOM 775 N GLU A 61 -8.680 -3.489 5.038 1.00 0.40 N ATOM 776 CA GLU A 61 -9.197 -2.564 4.027 1.00 0.44 C ATOM 777 C GLU A 61 -8.110 -2.199 3.005 1.00 0.41 C ATOM 778 O GLU A 61 -8.357 -2.207 1.797 1.00 0.48 O ATOM 779 CB GLU A 61 -9.747 -1.324 4.760 1.00 0.52 C ATOM 780 CG GLU A 61 -10.631 -0.422 3.899 1.00 0.95 C ATOM 781 CD GLU A 61 -11.386 0.698 4.645 1.00 1.56 C ATOM 782 OE1 GLU A 61 -11.499 0.681 5.893 1.00 2.27 O ATOM 783 OE2 GLU A 61 -11.988 1.560 3.956 1.00 2.56 O ATOM 0 H GLU A 61 -8.488 -3.029 5.928 1.00 0.40 H new ATOM 0 HA GLU A 61 -10.000 -3.032 3.457 1.00 0.44 H new ATOM 0 HB2 GLU A 61 -10.320 -1.654 5.627 1.00 0.52 H new ATOM 0 HB3 GLU A 61 -8.909 -0.738 5.137 1.00 0.52 H new ATOM 0 HG2 GLU A 61 -10.009 0.036 3.131 1.00 0.95 H new ATOM 0 HG3 GLU A 61 -11.362 -1.047 3.386 1.00 0.95 H new ATOM 790 N VAL A 62 -6.881 -1.949 3.470 1.00 0.34 N ATOM 791 CA VAL A 62 -5.739 -1.600 2.631 1.00 0.31 C ATOM 792 C VAL A 62 -5.273 -2.799 1.809 1.00 0.26 C ATOM 793 O VAL A 62 -4.955 -2.616 0.640 1.00 0.27 O ATOM 794 CB VAL A 62 -4.575 -1.042 3.477 1.00 0.33 C ATOM 795 CG1 VAL A 62 -3.581 -0.310 2.581 1.00 0.38 C ATOM 796 CG2 VAL A 62 -4.986 -0.041 4.561 1.00 0.44 C ATOM 0 H VAL A 62 -6.652 -1.986 4.463 1.00 0.34 H new ATOM 0 HA VAL A 62 -6.065 -0.820 1.943 1.00 0.31 H new ATOM 0 HB VAL A 62 -4.153 -1.921 3.964 1.00 0.33 H new ATOM 0 HG11 VAL A 62 -2.763 0.080 3.187 1.00 0.38 H new ATOM 0 HG12 VAL A 62 -3.184 -1.001 1.838 1.00 0.38 H new ATOM 0 HG13 VAL A 62 -4.085 0.515 2.077 1.00 0.38 H new ATOM 0 HG21 VAL A 62 -4.101 0.294 5.101 1.00 0.44 H new ATOM 0 HG22 VAL A 62 -5.475 0.816 4.098 1.00 0.44 H new ATOM 0 HG23 VAL A 62 -5.676 -0.520 5.256 1.00 0.44 H new ATOM 806 N GLN A 63 -5.309 -4.029 2.340 1.00 0.25 N ATOM 807 CA GLN A 63 -5.021 -5.231 1.550 1.00 0.26 C ATOM 808 C GLN A 63 -5.946 -5.319 0.333 1.00 0.30 C ATOM 809 O GLN A 63 -5.450 -5.544 -0.764 1.00 0.32 O ATOM 810 CB GLN A 63 -5.108 -6.514 2.403 1.00 0.29 C ATOM 811 CG GLN A 63 -4.790 -7.755 1.538 1.00 0.42 C ATOM 812 CD GLN A 63 -4.803 -9.095 2.273 1.00 0.65 C ATOM 813 OE1 GLN A 63 -5.652 -9.390 3.109 1.00 1.11 O ATOM 814 NE2 GLN A 63 -3.890 -9.981 1.947 1.00 1.87 N ATOM 0 H GLN A 63 -5.536 -4.216 3.317 1.00 0.25 H new ATOM 0 HA GLN A 63 -3.994 -5.148 1.195 1.00 0.26 H new ATOM 0 HB2 GLN A 63 -4.407 -6.453 3.236 1.00 0.29 H new ATOM 0 HB3 GLN A 63 -6.106 -6.607 2.832 1.00 0.29 H new ATOM 0 HG2 GLN A 63 -5.512 -7.802 0.723 1.00 0.42 H new ATOM 0 HG3 GLN A 63 -3.807 -7.618 1.086 1.00 0.42 H new ATOM 0 HE21 GLN A 63 -3.179 -9.749 1.254 1.00 1.87 H new ATOM 0 HE22 GLN A 63 -3.892 -10.901 2.387 1.00 1.87 H new ATOM 823 N ALA A 64 -7.252 -5.080 0.473 1.00 0.34 N ATOM 824 CA ALA A 64 -8.176 -5.176 -0.653 1.00 0.39 C ATOM 825 C ALA A 64 -8.058 -3.958 -1.594 1.00 0.38 C ATOM 826 O ALA A 64 -8.358 -4.074 -2.783 1.00 0.43 O ATOM 827 CB ALA A 64 -9.591 -5.368 -0.100 1.00 0.46 C ATOM 0 H ALA A 64 -7.691 -4.819 1.356 1.00 0.34 H new ATOM 0 HA ALA A 64 -7.922 -6.038 -1.271 1.00 0.39 H new ATOM 0 HB1 ALA A 64 -10.298 -5.442 -0.927 1.00 0.46 H new ATOM 0 HB2 ALA A 64 -9.629 -6.282 0.493 1.00 0.46 H new ATOM 0 HB3 ALA A 64 -9.855 -4.517 0.528 1.00 0.46 H new ATOM 833 N LEU A 65 -7.561 -2.814 -1.098 1.00 0.36 N ATOM 834 CA LEU A 65 -7.192 -1.657 -1.915 1.00 0.41 C ATOM 835 C LEU A 65 -5.931 -1.899 -2.770 1.00 0.38 C ATOM 836 O LEU A 65 -5.859 -1.499 -3.934 1.00 0.46 O ATOM 837 CB LEU A 65 -7.017 -0.429 -1.015 1.00 0.46 C ATOM 838 CG LEU A 65 -8.346 0.199 -0.552 1.00 0.58 C ATOM 839 CD1 LEU A 65 -8.073 1.220 0.549 1.00 0.65 C ATOM 840 CD2 LEU A 65 -9.069 0.911 -1.696 1.00 0.70 C ATOM 0 H LEU A 65 -7.403 -2.669 -0.101 1.00 0.36 H new ATOM 0 HA LEU A 65 -8.004 -1.483 -2.621 1.00 0.41 H new ATOM 0 HB2 LEU A 65 -6.436 -0.713 -0.138 1.00 0.46 H new ATOM 0 HB3 LEU A 65 -6.438 0.323 -1.551 1.00 0.46 H new ATOM 0 HG LEU A 65 -8.979 -0.610 -0.188 1.00 0.58 H new ATOM 0 HD11 LEU A 65 -9.014 1.663 0.875 1.00 0.65 H new ATOM 0 HD12 LEU A 65 -7.593 0.725 1.393 1.00 0.65 H new ATOM 0 HD13 LEU A 65 -7.417 2.002 0.166 1.00 0.65 H new ATOM 0 HD21 LEU A 65 -10.001 1.339 -1.327 1.00 0.70 H new ATOM 0 HD22 LEU A 65 -8.435 1.706 -2.089 1.00 0.70 H new ATOM 0 HD23 LEU A 65 -9.288 0.196 -2.489 1.00 0.70 H new ATOM 852 N LEU A 66 -4.941 -2.577 -2.191 1.00 0.32 N ATOM 853 CA LEU A 66 -3.709 -3.035 -2.842 1.00 0.34 C ATOM 854 C LEU A 66 -3.984 -4.196 -3.819 1.00 0.37 C ATOM 855 O LEU A 66 -3.482 -4.199 -4.939 1.00 0.47 O ATOM 856 CB LEU A 66 -2.704 -3.446 -1.749 1.00 0.31 C ATOM 857 CG LEU A 66 -2.164 -2.276 -0.899 1.00 0.30 C ATOM 858 CD1 LEU A 66 -1.644 -2.791 0.445 1.00 0.29 C ATOM 859 CD2 LEU A 66 -1.023 -1.552 -1.618 1.00 0.33 C ATOM 0 H LEU A 66 -4.976 -2.836 -1.205 1.00 0.32 H new ATOM 0 HA LEU A 66 -3.290 -2.224 -3.438 1.00 0.34 H new ATOM 0 HB2 LEU A 66 -3.182 -4.168 -1.087 1.00 0.31 H new ATOM 0 HB3 LEU A 66 -1.863 -3.954 -2.220 1.00 0.31 H new ATOM 0 HG LEU A 66 -2.988 -1.580 -0.740 1.00 0.30 H new ATOM 0 HD11 LEU A 66 -1.266 -1.955 1.034 1.00 0.29 H new ATOM 0 HD12 LEU A 66 -2.455 -3.279 0.986 1.00 0.29 H new ATOM 0 HD13 LEU A 66 -0.840 -3.507 0.274 1.00 0.29 H new ATOM 0 HD21 LEU A 66 -0.663 -0.733 -0.996 1.00 0.33 H new ATOM 0 HD22 LEU A 66 -0.208 -2.252 -1.804 1.00 0.33 H new ATOM 0 HD23 LEU A 66 -1.385 -1.155 -2.567 1.00 0.33 H new ATOM 871 N GLU A 67 -4.848 -5.139 -3.455 1.00 0.33 N ATOM 872 CA GLU A 67 -5.344 -6.210 -4.329 1.00 0.41 C ATOM 873 C GLU A 67 -6.191 -5.675 -5.496 1.00 0.38 C ATOM 874 O GLU A 67 -6.103 -6.190 -6.613 1.00 0.46 O ATOM 875 CB GLU A 67 -6.161 -7.194 -3.481 1.00 0.57 C ATOM 876 CG GLU A 67 -5.284 -8.205 -2.728 1.00 0.42 C ATOM 877 CD GLU A 67 -6.040 -9.519 -2.560 1.00 0.96 C ATOM 878 OE1 GLU A 67 -6.809 -9.686 -1.584 1.00 1.99 O ATOM 879 OE2 GLU A 67 -5.898 -10.385 -3.459 1.00 1.79 O ATOM 0 H GLU A 67 -5.238 -5.185 -2.514 1.00 0.33 H new ATOM 0 HA GLU A 67 -4.486 -6.712 -4.777 1.00 0.41 H new ATOM 0 HB2 GLU A 67 -6.761 -6.635 -2.763 1.00 0.57 H new ATOM 0 HB3 GLU A 67 -6.855 -7.732 -4.126 1.00 0.57 H new ATOM 0 HG2 GLU A 67 -4.357 -8.375 -3.276 1.00 0.42 H new ATOM 0 HG3 GLU A 67 -5.009 -7.806 -1.752 1.00 0.42 H new ATOM 886 N GLY A 68 -6.928 -4.580 -5.281 1.00 0.36 N ATOM 887 CA GLY A 68 -7.628 -3.806 -6.315 1.00 0.42 C ATOM 888 C GLY A 68 -6.710 -3.137 -7.352 1.00 0.42 C ATOM 889 O GLY A 68 -7.197 -2.500 -8.287 1.00 0.63 O ATOM 0 H GLY A 68 -7.059 -4.193 -4.347 1.00 0.36 H new ATOM 0 HA2 GLY A 68 -8.321 -4.466 -6.836 1.00 0.42 H new ATOM 0 HA3 GLY A 68 -8.226 -3.035 -5.829 1.00 0.42 H new ATOM 893 N THR A 69 -5.387 -3.276 -7.214 1.00 0.32 N ATOM 894 CA THR A 69 -4.390 -2.880 -8.230 1.00 0.35 C ATOM 895 C THR A 69 -4.095 -4.016 -9.228 1.00 0.41 C ATOM 896 O THR A 69 -3.440 -3.784 -10.239 1.00 0.57 O ATOM 897 CB THR A 69 -3.113 -2.296 -7.586 1.00 0.37 C ATOM 898 OG1 THR A 69 -2.272 -3.296 -7.059 1.00 0.64 O ATOM 899 CG2 THR A 69 -3.479 -1.294 -6.497 1.00 0.69 C ATOM 0 H THR A 69 -4.964 -3.675 -6.376 1.00 0.32 H new ATOM 0 HA THR A 69 -4.831 -2.074 -8.817 1.00 0.35 H new ATOM 0 HB THR A 69 -2.560 -1.789 -8.377 1.00 0.37 H new ATOM 0 HG1 THR A 69 -2.679 -3.674 -6.252 1.00 0.64 H new ATOM 0 HG21 THR A 69 -2.569 -0.891 -6.053 1.00 0.69 H new ATOM 0 HG22 THR A 69 -4.061 -0.481 -6.931 1.00 0.69 H new ATOM 0 HG23 THR A 69 -4.069 -1.792 -5.728 1.00 0.69 H new ATOM 907 N GLY A 70 -4.621 -5.229 -9.002 1.00 0.43 N ATOM 908 CA GLY A 70 -4.545 -6.363 -9.939 1.00 0.49 C ATOM 909 C GLY A 70 -3.453 -7.399 -9.650 1.00 0.47 C ATOM 910 O GLY A 70 -3.152 -8.207 -10.526 1.00 0.65 O ATOM 0 H GLY A 70 -5.123 -5.455 -8.143 1.00 0.43 H new ATOM 0 HA2 GLY A 70 -5.509 -6.871 -9.943 1.00 0.49 H new ATOM 0 HA3 GLY A 70 -4.389 -5.969 -10.943 1.00 0.49 H new ATOM 914 N ARG A 71 -2.843 -7.383 -8.457 1.00 0.40 N ATOM 915 CA ARG A 71 -1.669 -8.188 -8.073 1.00 0.45 C ATOM 916 C ARG A 71 -1.735 -8.635 -6.607 1.00 0.48 C ATOM 917 O ARG A 71 -2.623 -8.226 -5.857 1.00 0.63 O ATOM 918 CB ARG A 71 -0.379 -7.393 -8.383 1.00 0.78 C ATOM 919 CG ARG A 71 -0.347 -6.014 -7.699 1.00 0.93 C ATOM 920 CD ARG A 71 0.917 -5.192 -7.990 1.00 0.83 C ATOM 921 NE ARG A 71 1.066 -4.786 -9.406 1.00 0.90 N ATOM 922 CZ ARG A 71 0.370 -3.869 -10.054 1.00 1.23 C ATOM 923 NH1 ARG A 71 -0.667 -3.280 -9.549 1.00 3.05 N ATOM 924 NH2 ARG A 71 0.682 -3.484 -11.250 1.00 1.12 N ATOM 0 H ARG A 71 -3.166 -6.783 -7.698 1.00 0.40 H new ATOM 0 HA ARG A 71 -1.663 -9.105 -8.663 1.00 0.45 H new ATOM 0 HB2 ARG A 71 0.486 -7.973 -8.061 1.00 0.78 H new ATOM 0 HB3 ARG A 71 -0.290 -7.260 -9.461 1.00 0.78 H new ATOM 0 HG2 ARG A 71 -1.219 -5.443 -8.018 1.00 0.93 H new ATOM 0 HG3 ARG A 71 -0.435 -6.154 -6.622 1.00 0.93 H new ATOM 0 HD2 ARG A 71 0.906 -4.298 -7.367 1.00 0.83 H new ATOM 0 HD3 ARG A 71 1.791 -5.774 -7.697 1.00 0.83 H new ATOM 0 HE ARG A 71 1.787 -5.269 -9.942 1.00 0.90 H new ATOM 0 HH11 ARG A 71 -0.981 -3.518 -8.608 1.00 3.05 H new ATOM 0 HH12 ARG A 71 -1.170 -2.578 -10.092 1.00 3.05 H new ATOM 0 HH21 ARG A 71 1.489 -3.892 -11.723 1.00 1.12 H new ATOM 0 HH22 ARG A 71 0.121 -2.773 -11.720 1.00 1.12 H new ATOM 938 N GLN A 72 -0.791 -9.481 -6.206 1.00 0.49 N ATOM 939 CA GLN A 72 -0.602 -9.955 -4.833 1.00 0.64 C ATOM 940 C GLN A 72 -0.167 -8.822 -3.895 1.00 0.47 C ATOM 941 O GLN A 72 0.691 -8.003 -4.235 1.00 0.44 O ATOM 942 CB GLN A 72 0.397 -11.127 -4.836 1.00 0.90 C ATOM 943 CG GLN A 72 0.744 -11.754 -3.467 1.00 1.92 C ATOM 944 CD GLN A 72 2.227 -11.667 -3.098 1.00 3.82 C ATOM 945 OE1 GLN A 72 3.106 -12.042 -3.862 1.00 4.83 O ATOM 946 NE2 GLN A 72 2.564 -11.210 -1.912 1.00 4.81 N ATOM 0 H GLN A 72 -0.107 -9.873 -6.853 1.00 0.49 H new ATOM 0 HA GLN A 72 -1.555 -10.313 -4.444 1.00 0.64 H new ATOM 0 HB2 GLN A 72 -0.004 -11.912 -5.477 1.00 0.90 H new ATOM 0 HB3 GLN A 72 1.323 -10.782 -5.296 1.00 0.90 H new ATOM 0 HG2 GLN A 72 0.158 -11.258 -2.693 1.00 1.92 H new ATOM 0 HG3 GLN A 72 0.443 -12.802 -3.472 1.00 1.92 H new ATOM 0 HE21 GLN A 72 1.843 -10.894 -1.264 1.00 4.81 H new ATOM 0 HE22 GLN A 72 3.546 -11.172 -1.640 1.00 4.81 H new ATOM 955 N ALA A 73 -0.754 -8.839 -2.701 1.00 0.43 N ATOM 956 CA ALA A 73 -0.524 -7.922 -1.579 1.00 0.34 C ATOM 957 C ALA A 73 -0.680 -8.670 -0.240 1.00 0.37 C ATOM 958 O ALA A 73 -1.767 -9.129 0.117 1.00 0.56 O ATOM 959 CB ALA A 73 -1.525 -6.766 -1.693 1.00 0.51 C ATOM 0 H ALA A 73 -1.455 -9.544 -2.472 1.00 0.43 H new ATOM 0 HA ALA A 73 0.491 -7.525 -1.612 1.00 0.34 H new ATOM 0 HB1 ALA A 73 -1.373 -6.070 -0.868 1.00 0.51 H new ATOM 0 HB2 ALA A 73 -1.374 -6.246 -2.639 1.00 0.51 H new ATOM 0 HB3 ALA A 73 -2.541 -7.159 -1.653 1.00 0.51 H new ATOM 965 N VAL A 74 0.416 -8.789 0.511 1.00 0.32 N ATOM 966 CA VAL A 74 0.513 -9.530 1.781 1.00 0.37 C ATOM 967 C VAL A 74 1.160 -8.638 2.829 1.00 0.34 C ATOM 968 O VAL A 74 2.243 -8.098 2.620 1.00 0.34 O ATOM 969 CB VAL A 74 1.339 -10.816 1.601 1.00 0.45 C ATOM 970 CG1 VAL A 74 1.674 -11.521 2.924 1.00 0.53 C ATOM 971 CG2 VAL A 74 0.594 -11.825 0.722 1.00 0.53 C ATOM 0 H VAL A 74 1.300 -8.356 0.245 1.00 0.32 H new ATOM 0 HA VAL A 74 -0.488 -9.814 2.105 1.00 0.37 H new ATOM 0 HB VAL A 74 2.269 -10.490 1.134 1.00 0.45 H new ATOM 0 HG11 VAL A 74 2.257 -12.419 2.720 1.00 0.53 H new ATOM 0 HG12 VAL A 74 2.252 -10.849 3.558 1.00 0.53 H new ATOM 0 HG13 VAL A 74 0.751 -11.796 3.434 1.00 0.53 H new ATOM 0 HG21 VAL A 74 1.198 -12.725 0.610 1.00 0.53 H new ATOM 0 HG22 VAL A 74 -0.357 -12.082 1.189 1.00 0.53 H new ATOM 0 HG23 VAL A 74 0.410 -11.387 -0.259 1.00 0.53 H new ATOM 981 N LEU A 75 0.516 -8.467 3.974 1.00 0.35 N ATOM 982 CA LEU A 75 1.071 -7.686 5.067 1.00 0.34 C ATOM 983 C LEU A 75 2.165 -8.442 5.821 1.00 0.41 C ATOM 984 O LEU A 75 2.025 -9.618 6.164 1.00 0.51 O ATOM 985 CB LEU A 75 -0.040 -7.201 5.975 1.00 0.37 C ATOM 986 CG LEU A 75 0.432 -6.122 6.973 1.00 0.42 C ATOM 987 CD1 LEU A 75 1.338 -5.024 6.420 1.00 1.18 C ATOM 988 CD2 LEU A 75 -0.782 -5.318 7.297 1.00 0.80 C ATOM 0 H LEU A 75 -0.403 -8.865 4.170 1.00 0.35 H new ATOM 0 HA LEU A 75 1.564 -6.809 4.647 1.00 0.34 H new ATOM 0 HB2 LEU A 75 -0.850 -6.798 5.367 1.00 0.37 H new ATOM 0 HB3 LEU A 75 -0.447 -8.048 6.528 1.00 0.37 H new ATOM 0 HG LEU A 75 0.952 -6.675 7.755 1.00 0.42 H new ATOM 0 HD11 LEU A 75 1.599 -4.330 7.219 1.00 1.18 H new ATOM 0 HD12 LEU A 75 2.247 -5.471 6.017 1.00 1.18 H new ATOM 0 HD13 LEU A 75 0.816 -4.486 5.629 1.00 1.18 H new ATOM 0 HD21 LEU A 75 -0.519 -4.531 8.003 1.00 0.80 H new ATOM 0 HD22 LEU A 75 -1.176 -4.870 6.385 1.00 0.80 H new ATOM 0 HD23 LEU A 75 -1.539 -5.965 7.740 1.00 0.80 H new ATOM 1000 N LYS A 76 3.235 -7.703 6.103 1.00 0.39 N ATOM 1001 CA LYS A 76 4.431 -8.177 6.814 1.00 0.47 C ATOM 1002 C LYS A 76 4.469 -7.694 8.267 1.00 0.50 C ATOM 1003 O LYS A 76 4.958 -8.404 9.146 1.00 0.56 O ATOM 1004 CB LYS A 76 5.693 -7.766 6.037 1.00 0.47 C ATOM 1005 CG LYS A 76 5.721 -8.202 4.559 1.00 0.43 C ATOM 1006 CD LYS A 76 5.783 -9.719 4.314 1.00 0.59 C ATOM 1007 CE LYS A 76 7.182 -10.276 4.604 1.00 1.15 C ATOM 1008 NZ LYS A 76 7.349 -11.640 4.060 1.00 1.50 N ATOM 0 H LYS A 76 3.301 -6.721 5.835 1.00 0.39 H new ATOM 0 HA LYS A 76 4.393 -9.265 6.862 1.00 0.47 H new ATOM 0 HB2 LYS A 76 5.791 -6.681 6.082 1.00 0.47 H new ATOM 0 HB3 LYS A 76 6.564 -8.186 6.540 1.00 0.47 H new ATOM 0 HG2 LYS A 76 4.832 -7.809 4.066 1.00 0.43 H new ATOM 0 HG3 LYS A 76 6.583 -7.739 4.079 1.00 0.43 H new ATOM 0 HD2 LYS A 76 5.051 -10.221 4.947 1.00 0.59 H new ATOM 0 HD3 LYS A 76 5.511 -9.934 3.280 1.00 0.59 H new ATOM 0 HE2 LYS A 76 7.934 -9.616 4.170 1.00 1.15 H new ATOM 0 HE3 LYS A 76 7.353 -10.290 5.680 1.00 1.15 H new ATOM 0 HZ1 LYS A 76 8.306 -11.985 4.275 1.00 1.50 H new ATOM 0 HZ2 LYS A 76 6.648 -12.274 4.492 1.00 1.50 H new ATOM 0 HZ3 LYS A 76 7.211 -11.622 3.029 1.00 1.50 H new ATOM 1022 N GLY A 77 3.919 -6.509 8.525 1.00 0.47 N ATOM 1023 CA GLY A 77 3.604 -5.982 9.845 1.00 0.46 C ATOM 1024 C GLY A 77 3.466 -4.462 9.823 1.00 0.51 C ATOM 1025 O GLY A 77 3.280 -3.844 8.773 1.00 0.56 O ATOM 0 H GLY A 77 3.670 -5.860 7.779 1.00 0.47 H new ATOM 0 HA2 GLY A 77 2.676 -6.427 10.204 1.00 0.46 H new ATOM 0 HA3 GLY A 77 4.387 -6.267 10.548 1.00 0.46 H new ATOM 1029 N MET A 78 3.552 -3.860 11.002 1.00 0.63 N ATOM 1030 CA MET A 78 3.302 -2.449 11.240 1.00 0.66 C ATOM 1031 C MET A 78 4.594 -1.704 11.599 1.00 0.72 C ATOM 1032 O MET A 78 5.520 -2.260 12.199 1.00 1.02 O ATOM 1033 CB MET A 78 2.245 -2.307 12.341 1.00 0.73 C ATOM 1034 CG MET A 78 0.844 -2.730 11.877 1.00 0.80 C ATOM 1035 SD MET A 78 0.548 -4.517 11.757 1.00 1.34 S ATOM 1036 CE MET A 78 -1.110 -4.458 11.045 1.00 1.13 C ATOM 0 H MET A 78 3.808 -4.364 11.851 1.00 0.63 H new ATOM 0 HA MET A 78 2.925 -1.993 10.325 1.00 0.66 H new ATOM 0 HB2 MET A 78 2.537 -2.912 13.199 1.00 0.73 H new ATOM 0 HB3 MET A 78 2.214 -1.271 12.678 1.00 0.73 H new ATOM 0 HG2 MET A 78 0.112 -2.307 12.565 1.00 0.80 H new ATOM 0 HG3 MET A 78 0.657 -2.285 10.900 1.00 0.80 H new ATOM 0 HE1 MET A 78 -1.420 -5.464 10.760 1.00 1.13 H new ATOM 0 HE2 MET A 78 -1.808 -4.058 11.781 1.00 1.13 H new ATOM 0 HE3 MET A 78 -1.105 -3.817 10.164 1.00 1.13 H new ATOM 1046 N GLY A 79 4.651 -0.424 11.255 1.00 0.69 N ATOM 1047 CA GLY A 79 5.667 0.510 11.745 1.00 1.09 C ATOM 1048 C GLY A 79 5.403 0.954 13.186 1.00 2.12 C ATOM 1049 O GLY A 79 4.266 0.902 13.669 1.00 2.96 O ATOM 0 H GLY A 79 3.982 0.006 10.616 1.00 0.69 H new ATOM 0 HA2 GLY A 79 6.648 0.039 11.687 1.00 1.09 H new ATOM 0 HA3 GLY A 79 5.695 1.386 11.097 1.00 1.09 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 4.849 -3.111 -14.087 1.00 0.96 CU