USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 642 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -149:sc= 1.26 (180deg=0.65) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0746 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.504 F(o=-3.1,f=-0.5) USER MOD Single : A 16 ASN : amide:sc= -0.686 K(o=-0.69,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 0.0884 (180deg=-0.0378) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0.941 (180deg=0.941) USER MOD Single : A 31 SER OG : rot 180:sc= -0.173 USER MOD Single : A 33 THR OG1 : rot 150:sc= 0.161 USER MOD Single : A 42 SER OG : rot -120:sc= -0.932 USER MOD Single : A 43 MET CE :methyl -171:sc= -6.23! (180deg=-6.52!) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= -1.1 (180deg=-3.12!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.823 K(o=-0.82,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0616) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 73 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0223 (180deg=-0.154) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -2.05 F(o=-2.6!,f=-2) USER MOD Single : A 101 SXH O33 : rot -127:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.070 -6.226 4.640 1.00 1.43 N ATOM 2 CA ALA A 1 13.461 -6.547 3.361 1.00 0.89 C ATOM 3 C ALA A 1 12.059 -7.075 3.594 1.00 0.84 C ATOM 4 O ALA A 1 11.587 -7.076 4.731 1.00 1.31 O ATOM 5 CB ALA A 1 14.310 -7.549 2.607 1.00 1.02 C ATOM 0 H1 ALA A 1 14.733 -5.434 4.520 1.00 1.43 H new ATOM 0 H2 ALA A 1 13.330 -5.957 5.319 1.00 1.43 H new ATOM 0 H3 ALA A 1 14.584 -7.056 4.998 1.00 1.43 H new ATOM 0 HA ALA A 1 13.398 -5.647 2.749 1.00 0.89 H new ATOM 0 HB1 ALA A 1 13.839 -7.778 1.651 1.00 1.02 H new ATOM 0 HB2 ALA A 1 15.300 -7.128 2.432 1.00 1.02 H new ATOM 0 HB3 ALA A 1 14.403 -8.463 3.194 1.00 1.02 H new ATOM 13 N ALA A 2 11.384 -7.491 2.538 1.00 0.70 N ATOM 14 CA ALA A 2 10.036 -8.029 2.639 1.00 0.62 C ATOM 15 C ALA A 2 9.759 -8.921 1.448 1.00 0.65 C ATOM 16 O ALA A 2 10.621 -9.095 0.591 1.00 0.87 O ATOM 17 CB ALA A 2 9.007 -6.909 2.711 1.00 0.59 C ATOM 0 H ALA A 2 11.752 -7.466 1.587 1.00 0.70 H new ATOM 0 HA ALA A 2 9.959 -8.614 3.556 1.00 0.62 H new ATOM 0 HB1 ALA A 2 8.008 -7.337 2.786 1.00 0.59 H new ATOM 0 HB2 ALA A 2 9.203 -6.290 3.587 1.00 0.59 H new ATOM 0 HB3 ALA A 2 9.073 -6.296 1.812 1.00 0.59 H new ATOM 23 N THR A 3 8.581 -9.470 1.377 1.00 0.51 N ATOM 24 CA THR A 3 8.221 -10.332 0.298 1.00 0.54 C ATOM 25 C THR A 3 6.902 -9.860 -0.249 1.00 0.42 C ATOM 26 O THR A 3 6.416 -8.796 0.170 1.00 0.37 O ATOM 27 CB THR A 3 8.078 -11.794 0.784 1.00 0.64 C ATOM 28 OG1 THR A 3 7.129 -11.839 1.870 1.00 0.63 O ATOM 29 CG2 THR A 3 9.411 -12.363 1.250 1.00 0.82 C ATOM 0 H THR A 3 7.845 -9.330 2.069 1.00 0.51 H new ATOM 0 HA THR A 3 8.997 -10.303 -0.467 1.00 0.54 H new ATOM 0 HB THR A 3 7.730 -12.400 -0.052 1.00 0.64 H new ATOM 0 HG1 THR A 3 7.032 -12.763 2.182 1.00 0.63 H new ATOM 0 HG21 THR A 3 9.271 -13.391 1.584 1.00 0.82 H new ATOM 0 HG22 THR A 3 10.123 -12.343 0.425 1.00 0.82 H new ATOM 0 HG23 THR A 3 9.794 -11.763 2.075 1.00 0.82 H new ATOM 37 N GLN A 4 6.304 -10.634 -1.131 1.00 0.44 N ATOM 38 CA GLN A 4 4.978 -10.344 -1.616 1.00 0.42 C ATOM 39 C GLN A 4 4.043 -10.382 -0.436 1.00 0.38 C ATOM 40 O GLN A 4 3.323 -9.422 -0.179 1.00 0.38 O ATOM 41 CB GLN A 4 4.577 -11.373 -2.718 1.00 0.52 C ATOM 42 CG GLN A 4 3.153 -11.268 -3.325 1.00 0.66 C ATOM 43 CD GLN A 4 2.035 -11.905 -2.474 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.404 -11.131 -1.641 1.00 1.24 O flip ATOM 45 NE2 GLN A 4 1.736 -13.091 -2.603 1.00 0.63 N flip ATOM 0 H GLN A 4 6.723 -11.475 -1.527 1.00 0.44 H new ATOM 0 HA GLN A 4 4.931 -9.357 -2.077 1.00 0.42 H new ATOM 0 HB2 GLN A 4 5.295 -11.287 -3.533 1.00 0.52 H new ATOM 0 HB3 GLN A 4 4.689 -12.373 -2.299 1.00 0.52 H new ATOM 0 HG2 GLN A 4 2.917 -10.215 -3.480 1.00 0.66 H new ATOM 0 HG3 GLN A 4 3.157 -11.741 -4.307 1.00 0.66 H new ATOM 0 HE21 GLN A 4 2.247 -13.677 -3.264 1.00 0.63 H new ATOM 0 HE22 GLN A 4 0.977 -13.489 -2.049 1.00 0.63 H new ATOM 54 N GLU A 5 4.114 -11.465 0.319 1.00 0.40 N ATOM 55 CA GLU A 5 3.243 -11.658 1.460 1.00 0.46 C ATOM 56 C GLU A 5 3.447 -10.587 2.517 1.00 0.37 C ATOM 57 O GLU A 5 2.489 -10.065 3.039 1.00 0.37 O ATOM 58 CB GLU A 5 3.423 -13.043 2.060 1.00 0.63 C ATOM 59 CG GLU A 5 3.121 -14.167 1.090 1.00 1.35 C ATOM 60 CD GLU A 5 3.276 -15.520 1.715 1.00 1.79 C ATOM 61 OE1 GLU A 5 4.415 -15.922 2.013 1.00 2.43 O ATOM 62 OE2 GLU A 5 2.252 -16.212 1.935 1.00 2.08 O ATOM 0 H GLU A 5 4.772 -12.228 0.158 1.00 0.40 H new ATOM 0 HA GLU A 5 2.219 -11.571 1.097 1.00 0.46 H new ATOM 0 HB2 GLU A 5 4.449 -13.146 2.415 1.00 0.63 H new ATOM 0 HB3 GLU A 5 2.774 -13.140 2.930 1.00 0.63 H new ATOM 0 HG2 GLU A 5 2.103 -14.057 0.717 1.00 1.35 H new ATOM 0 HG3 GLU A 5 3.786 -14.089 0.230 1.00 1.35 H new ATOM 69 N GLU A 6 4.691 -10.229 2.786 1.00 0.36 N ATOM 70 CA GLU A 6 4.987 -9.219 3.809 1.00 0.37 C ATOM 71 C GLU A 6 4.448 -7.859 3.459 1.00 0.29 C ATOM 72 O GLU A 6 3.759 -7.243 4.276 1.00 0.31 O ATOM 73 CB GLU A 6 6.462 -9.120 4.107 1.00 0.46 C ATOM 74 CG GLU A 6 7.013 -10.332 4.782 1.00 0.67 C ATOM 75 CD GLU A 6 6.348 -10.611 6.107 1.00 1.38 C ATOM 76 OE1 GLU A 6 6.119 -9.656 6.861 1.00 1.91 O ATOM 77 OE2 GLU A 6 6.054 -11.788 6.425 1.00 2.07 O ATOM 0 H GLU A 6 5.512 -10.614 2.319 1.00 0.36 H new ATOM 0 HA GLU A 6 4.474 -9.564 4.707 1.00 0.37 H new ATOM 0 HB2 GLU A 6 7.003 -8.955 3.175 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.640 -8.249 4.738 1.00 0.46 H new ATOM 0 HG2 GLU A 6 6.889 -11.195 4.128 1.00 0.67 H new ATOM 0 HG3 GLU A 6 8.084 -10.201 4.938 1.00 0.67 H new ATOM 84 N ILE A 7 4.769 -7.375 2.261 1.00 0.24 N ATOM 85 CA ILE A 7 4.276 -6.093 1.813 1.00 0.19 C ATOM 86 C ILE A 7 2.770 -6.077 1.813 1.00 0.17 C ATOM 87 O ILE A 7 2.156 -5.204 2.428 1.00 0.20 O ATOM 88 CB ILE A 7 4.801 -5.765 0.418 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.313 -5.712 0.466 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.231 -4.430 -0.070 1.00 0.19 C ATOM 91 CD1 ILE A 7 6.940 -5.510 -0.862 1.00 0.25 C ATOM 0 H ILE A 7 5.368 -7.857 1.591 1.00 0.24 H new ATOM 0 HA ILE A 7 4.637 -5.333 2.506 1.00 0.19 H new ATOM 0 HB ILE A 7 4.485 -6.538 -0.283 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.619 -4.904 1.130 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.688 -6.640 0.899 1.00 0.23 H new ATOM 0 HG21 ILE A 7 4.616 -4.212 -1.066 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.143 -4.490 -0.107 1.00 0.19 H new ATOM 0 HG23 ILE A 7 4.527 -3.636 0.615 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.024 -5.482 -0.752 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.663 -6.331 -1.524 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.594 -4.568 -1.288 1.00 0.25 H new ATOM 103 N VAL A 8 2.192 -7.052 1.161 1.00 0.15 N ATOM 104 CA VAL A 8 0.749 -7.137 1.045 1.00 0.15 C ATOM 105 C VAL A 8 0.071 -7.228 2.419 1.00 0.17 C ATOM 106 O VAL A 8 -0.861 -6.478 2.685 1.00 0.19 O ATOM 107 CB VAL A 8 0.309 -8.296 0.120 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.200 -8.438 0.102 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.811 -8.036 -1.288 1.00 0.18 C ATOM 0 H VAL A 8 2.698 -7.806 0.697 1.00 0.15 H new ATOM 0 HA VAL A 8 0.417 -6.210 0.579 1.00 0.15 H new ATOM 0 HB VAL A 8 0.735 -9.223 0.503 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.480 -9.260 -0.556 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.558 -8.643 1.111 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.648 -7.513 -0.262 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.502 -8.852 -1.941 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.394 -7.099 -1.656 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.899 -7.970 -1.280 1.00 0.18 H new ATOM 119 N ALA A 9 0.569 -8.099 3.303 1.00 0.19 N ATOM 120 CA ALA A 9 -0.026 -8.242 4.635 1.00 0.22 C ATOM 121 C ALA A 9 0.166 -6.976 5.458 1.00 0.18 C ATOM 122 O ALA A 9 -0.688 -6.617 6.259 1.00 0.20 O ATOM 123 CB ALA A 9 0.551 -9.440 5.371 1.00 0.28 C ATOM 0 H ALA A 9 1.369 -8.706 3.125 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.095 -8.407 4.499 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.090 -9.519 6.355 1.00 0.28 H new ATOM 0 HB2 ALA A 9 0.350 -10.348 4.802 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.628 -9.314 5.484 1.00 0.28 H new ATOM 129 N GLY A 10 1.266 -6.282 5.207 1.00 0.17 N ATOM 130 CA GLY A 10 1.587 -5.090 5.913 1.00 0.17 C ATOM 131 C GLY A 10 0.709 -3.970 5.496 1.00 0.15 C ATOM 132 O GLY A 10 0.195 -3.262 6.319 1.00 0.18 O ATOM 0 H GLY A 10 1.953 -6.547 4.501 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.482 -5.259 6.985 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.629 -4.826 5.732 1.00 0.17 H new ATOM 136 N LEU A 11 0.536 -3.811 4.202 1.00 0.14 N ATOM 137 CA LEU A 11 -0.370 -2.807 3.687 1.00 0.14 C ATOM 138 C LEU A 11 -1.761 -3.128 4.153 1.00 0.13 C ATOM 139 O LEU A 11 -2.444 -2.268 4.693 1.00 0.15 O ATOM 140 CB LEU A 11 -0.338 -2.758 2.156 1.00 0.14 C ATOM 141 CG LEU A 11 0.981 -2.344 1.503 1.00 0.18 C ATOM 142 CD1 LEU A 11 0.858 -2.413 -0.009 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.377 -0.942 1.935 1.00 0.26 C ATOM 0 H LEU A 11 1.010 -4.363 3.488 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.059 -1.831 4.058 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.607 -3.745 1.780 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -1.113 -2.067 1.823 1.00 0.14 H new ATOM 0 HG LEU A 11 1.759 -3.035 1.827 1.00 0.18 H new ATOM 0 HD11 LEU A 11 1.803 -2.116 -0.465 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.615 -3.433 -0.308 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.068 -1.740 -0.341 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.318 -0.667 1.459 1.00 0.26 H new ATOM 0 HD22 LEU A 11 0.601 -0.237 1.638 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.497 -0.915 3.018 1.00 0.26 H new ATOM 155 N ALA A 12 -2.147 -4.391 4.003 1.00 0.12 N ATOM 156 CA ALA A 12 -3.457 -4.836 4.382 1.00 0.13 C ATOM 157 C ALA A 12 -3.758 -4.548 5.824 1.00 0.13 C ATOM 158 O ALA A 12 -4.732 -3.908 6.082 1.00 0.15 O ATOM 159 CB ALA A 12 -3.677 -6.293 4.079 1.00 0.14 C ATOM 0 H ALA A 12 -1.552 -5.123 3.615 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.155 -4.262 3.772 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.683 -6.580 4.385 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.560 -6.464 3.009 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.947 -6.892 4.624 1.00 0.14 H new ATOM 165 N GLU A 13 -2.876 -4.947 6.758 1.00 0.13 N ATOM 166 CA GLU A 13 -3.134 -4.744 8.206 1.00 0.18 C ATOM 167 C GLU A 13 -3.429 -3.283 8.535 1.00 0.18 C ATOM 168 O GLU A 13 -4.165 -2.976 9.474 1.00 0.27 O ATOM 169 CB GLU A 13 -2.005 -5.294 9.103 1.00 0.27 C ATOM 170 CG GLU A 13 -0.654 -4.634 8.907 1.00 0.28 C ATOM 171 CD GLU A 13 0.379 -5.108 9.889 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.389 -4.652 11.040 1.00 0.66 O ATOM 173 OE2 GLU A 13 1.200 -5.965 9.535 1.00 0.76 O ATOM 0 H GLU A 13 -1.990 -5.406 6.547 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.028 -5.326 8.430 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.301 -5.179 10.146 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -1.901 -6.363 8.917 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.303 -4.832 7.894 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -0.767 -3.554 9.000 1.00 0.28 H new ATOM 180 N ILE A 14 -2.876 -2.403 7.747 1.00 0.13 N ATOM 181 CA ILE A 14 -3.125 -0.988 7.893 1.00 0.13 C ATOM 182 C ILE A 14 -4.488 -0.628 7.201 1.00 0.13 C ATOM 183 O ILE A 14 -5.383 -0.023 7.814 1.00 0.17 O ATOM 184 CB ILE A 14 -1.971 -0.198 7.246 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.628 -0.698 7.785 1.00 0.19 C ATOM 186 CG2 ILE A 14 -2.122 1.268 7.603 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.565 -0.226 6.982 1.00 0.25 C ATOM 0 H ILE A 14 -2.241 -2.642 6.986 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.184 -0.727 8.950 1.00 0.13 H new ATOM 0 HB ILE A 14 -2.002 -0.335 6.165 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.514 -0.366 8.817 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.636 -1.788 7.800 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.311 1.838 7.151 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -3.077 1.637 7.229 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -2.087 1.384 8.686 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.480 -0.620 7.424 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.476 -0.581 5.955 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.599 0.863 6.988 1.00 0.25 H new ATOM 199 N VAL A 15 -4.632 -1.031 5.930 1.00 0.10 N ATOM 200 CA VAL A 15 -5.829 -0.790 5.108 1.00 0.11 C ATOM 201 C VAL A 15 -7.085 -1.373 5.763 1.00 0.12 C ATOM 202 O VAL A 15 -8.167 -0.793 5.656 1.00 0.17 O ATOM 203 CB VAL A 15 -5.676 -1.408 3.682 1.00 0.12 C ATOM 204 CG1 VAL A 15 -6.901 -1.142 2.822 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.462 -0.865 2.983 1.00 0.15 C ATOM 0 H VAL A 15 -3.904 -1.545 5.433 1.00 0.10 H new ATOM 0 HA VAL A 15 -5.934 0.292 5.024 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.565 -2.484 3.818 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -6.758 -1.587 1.837 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -7.780 -1.581 3.294 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.045 -0.067 2.717 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.381 -1.313 1.993 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.552 0.217 2.885 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.571 -1.104 3.563 1.00 0.15 H new ATOM 215 N ASN A 16 -6.930 -2.514 6.432 1.00 0.11 N ATOM 216 CA ASN A 16 -8.035 -3.193 7.122 1.00 0.15 C ATOM 217 C ASN A 16 -8.649 -2.255 8.129 1.00 0.19 C ATOM 218 O ASN A 16 -9.858 -2.118 8.218 1.00 0.27 O ATOM 219 CB ASN A 16 -7.580 -4.426 7.948 1.00 0.18 C ATOM 220 CG ASN A 16 -6.802 -5.527 7.273 1.00 0.32 C ATOM 221 OD1 ASN A 16 -6.024 -6.192 7.939 1.00 0.85 O ATOM 222 ND2 ASN A 16 -6.940 -5.722 5.993 1.00 0.15 N ATOM 0 H ASN A 16 -6.036 -2.997 6.513 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.722 -3.506 6.335 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.974 -4.059 8.776 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -8.473 -4.876 8.382 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -6.391 -6.443 5.525 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -7.597 -5.153 5.458 1.00 0.15 H new ATOM 229 N GLU A 17 -7.797 -1.583 8.855 1.00 0.21 N ATOM 230 CA GLU A 17 -8.218 -0.767 9.955 1.00 0.29 C ATOM 231 C GLU A 17 -8.724 0.600 9.522 1.00 0.27 C ATOM 232 O GLU A 17 -9.671 1.126 10.111 1.00 0.39 O ATOM 233 CB GLU A 17 -7.090 -0.642 10.966 1.00 0.40 C ATOM 234 CG GLU A 17 -6.593 -1.985 11.480 1.00 0.51 C ATOM 235 CD GLU A 17 -7.691 -2.812 12.108 1.00 1.42 C ATOM 236 OE1 GLU A 17 -8.023 -2.575 13.286 1.00 1.56 O ATOM 237 OE2 GLU A 17 -8.226 -3.734 11.450 1.00 2.35 O ATOM 0 H GLU A 17 -6.789 -1.588 8.698 1.00 0.21 H new ATOM 0 HA GLU A 17 -9.068 -1.264 10.423 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -6.259 -0.105 10.509 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -7.432 -0.042 11.809 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -6.150 -2.543 10.656 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -5.804 -1.819 12.213 1.00 0.51 H new ATOM 244 N ILE A 18 -8.125 1.193 8.502 1.00 0.21 N ATOM 245 CA ILE A 18 -8.575 2.524 8.119 1.00 0.22 C ATOM 246 C ILE A 18 -9.670 2.434 7.041 1.00 0.23 C ATOM 247 O ILE A 18 -10.764 2.952 7.229 1.00 0.28 O ATOM 248 CB ILE A 18 -7.424 3.384 7.562 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.155 3.265 8.399 1.00 0.24 C ATOM 250 CG2 ILE A 18 -7.864 4.844 7.574 1.00 0.28 C ATOM 251 CD1 ILE A 18 -4.969 3.903 7.734 1.00 0.27 C ATOM 0 H ILE A 18 -7.364 0.800 7.948 1.00 0.21 H new ATOM 0 HA ILE A 18 -8.965 2.993 9.023 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.201 3.032 6.555 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.318 3.732 9.370 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -5.942 2.212 8.583 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.061 5.469 7.183 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -8.752 4.962 6.952 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.094 5.146 8.596 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.091 3.791 8.370 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -4.786 3.419 6.775 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.168 4.963 7.574 1.00 0.27 H new ATOM 263 N ALA A 19 -9.392 1.749 5.924 1.00 0.21 N ATOM 264 CA ALA A 19 -10.419 1.619 4.873 1.00 0.26 C ATOM 265 C ALA A 19 -11.443 0.559 5.245 1.00 0.26 C ATOM 266 O ALA A 19 -12.652 0.811 5.255 1.00 0.44 O ATOM 267 CB ALA A 19 -9.801 1.290 3.513 1.00 0.28 C ATOM 0 H ALA A 19 -8.502 1.291 5.725 1.00 0.21 H new ATOM 0 HA ALA A 19 -10.919 2.584 4.793 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.590 1.203 2.766 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.114 2.085 3.224 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.258 0.347 3.579 1.00 0.28 H new ATOM 273 N GLY A 20 -10.949 -0.604 5.590 1.00 0.18 N ATOM 274 CA GLY A 20 -11.816 -1.709 5.900 1.00 0.22 C ATOM 275 C GLY A 20 -11.669 -2.835 4.911 1.00 0.18 C ATOM 276 O GLY A 20 -12.465 -3.766 4.904 1.00 0.27 O ATOM 0 H GLY A 20 -9.952 -0.808 5.663 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.593 -2.075 6.902 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.851 -1.367 5.909 1.00 0.22 H new ATOM 280 N ILE A 21 -10.648 -2.755 4.074 1.00 0.14 N ATOM 281 CA ILE A 21 -10.399 -3.781 3.088 1.00 0.15 C ATOM 282 C ILE A 21 -9.745 -4.959 3.768 1.00 0.16 C ATOM 283 O ILE A 21 -8.697 -4.778 4.354 1.00 0.17 O ATOM 284 CB ILE A 21 -9.438 -3.273 2.004 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.049 -2.059 1.342 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.190 -4.371 0.982 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.449 -2.319 0.882 1.00 0.25 C ATOM 0 H ILE A 21 -9.979 -1.985 4.062 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.348 -4.060 2.631 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.482 -2.997 2.449 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.046 -1.224 2.042 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.436 -1.763 0.491 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.507 -4.006 0.214 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.750 -5.236 1.477 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.135 -4.659 0.520 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -11.850 -1.421 0.412 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.449 -3.137 0.161 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.069 -2.589 1.737 1.00 0.25 H new ATOM 299 N PRO A 22 -10.354 -6.158 3.726 1.00 0.21 N ATOM 300 CA PRO A 22 -9.815 -7.376 4.378 1.00 0.24 C ATOM 301 C PRO A 22 -8.403 -7.770 3.899 1.00 0.21 C ATOM 302 O PRO A 22 -7.975 -7.401 2.787 1.00 0.21 O ATOM 303 CB PRO A 22 -10.824 -8.457 3.981 1.00 0.33 C ATOM 304 CG PRO A 22 -12.075 -7.706 3.736 1.00 0.33 C ATOM 305 CD PRO A 22 -11.647 -6.434 3.074 1.00 0.25 C ATOM 0 HA PRO A 22 -9.701 -7.227 5.452 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.501 -8.996 3.091 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.950 -9.195 4.773 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.755 -8.272 3.099 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.603 -7.506 4.668 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.541 -6.553 1.996 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.364 -5.630 3.237 1.00 0.25 H new ATOM 313 N VAL A 23 -7.706 -8.565 4.723 1.00 0.24 N ATOM 314 CA VAL A 23 -6.331 -8.999 4.455 1.00 0.29 C ATOM 315 C VAL A 23 -6.245 -9.835 3.189 1.00 0.35 C ATOM 316 O VAL A 23 -5.212 -9.881 2.521 1.00 0.51 O ATOM 317 CB VAL A 23 -5.705 -9.831 5.624 1.00 0.37 C ATOM 318 CG1 VAL A 23 -5.639 -9.034 6.887 1.00 0.84 C ATOM 319 CG2 VAL A 23 -6.459 -11.136 5.867 1.00 0.90 C ATOM 0 H VAL A 23 -8.084 -8.926 5.599 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.765 -8.074 4.342 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.690 -10.082 5.317 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -5.199 -9.642 7.678 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -5.025 -8.148 6.726 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -6.644 -8.731 7.179 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.990 -11.680 6.687 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -7.495 -10.915 6.124 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -6.432 -11.746 4.964 1.00 0.90 H new ATOM 329 N GLU A 24 -7.340 -10.489 2.863 1.00 0.37 N ATOM 330 CA GLU A 24 -7.383 -11.346 1.715 1.00 0.54 C ATOM 331 C GLU A 24 -7.993 -10.643 0.533 1.00 0.40 C ATOM 332 O GLU A 24 -8.093 -11.217 -0.546 1.00 0.46 O ATOM 333 CB GLU A 24 -8.169 -12.618 1.995 1.00 0.87 C ATOM 334 CG GLU A 24 -9.607 -12.380 2.397 1.00 1.32 C ATOM 335 CD GLU A 24 -10.430 -13.619 2.258 1.00 2.07 C ATOM 336 OE1 GLU A 24 -10.522 -14.402 3.211 1.00 2.34 O ATOM 337 OE2 GLU A 24 -11.009 -13.830 1.168 1.00 2.99 O ATOM 0 H GLU A 24 -8.214 -10.437 3.386 1.00 0.37 H new ATOM 0 HA GLU A 24 -6.351 -11.611 1.484 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -8.151 -13.247 1.105 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -7.669 -13.174 2.788 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -9.644 -12.032 3.429 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -10.032 -11.589 1.779 1.00 1.32 H new ATOM 344 N ASP A 25 -8.442 -9.422 0.721 1.00 0.30 N ATOM 345 CA ASP A 25 -9.018 -8.718 -0.384 1.00 0.25 C ATOM 346 C ASP A 25 -7.895 -7.979 -1.064 1.00 0.20 C ATOM 347 O ASP A 25 -7.769 -8.014 -2.281 1.00 0.20 O ATOM 348 CB ASP A 25 -10.161 -7.801 0.059 1.00 0.31 C ATOM 349 CG ASP A 25 -11.023 -7.319 -1.098 1.00 0.42 C ATOM 350 OD1 ASP A 25 -11.437 -8.161 -1.945 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.368 -6.131 -1.142 1.00 0.53 O ATOM 0 H ASP A 25 -8.418 -8.914 1.605 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.481 -9.408 -1.089 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -10.788 -8.332 0.775 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -9.745 -6.938 0.579 1.00 0.31 H new ATOM 356 N VAL A 26 -7.038 -7.357 -0.252 1.00 0.18 N ATOM 357 CA VAL A 26 -5.782 -6.768 -0.704 1.00 0.16 C ATOM 358 C VAL A 26 -4.888 -7.900 -1.249 1.00 0.16 C ATOM 359 O VAL A 26 -4.304 -8.659 -0.480 1.00 0.19 O ATOM 360 CB VAL A 26 -5.059 -6.085 0.512 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.680 -5.564 0.147 1.00 0.16 C ATOM 362 CG2 VAL A 26 -5.894 -4.955 1.069 1.00 0.18 C ATOM 0 H VAL A 26 -7.201 -7.248 0.749 1.00 0.18 H new ATOM 0 HA VAL A 26 -5.972 -6.024 -1.477 1.00 0.16 H new ATOM 0 HB VAL A 26 -4.936 -6.857 1.272 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.223 -5.101 1.022 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.057 -6.391 -0.193 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -3.769 -4.825 -0.649 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.373 -4.498 1.910 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.058 -4.207 0.293 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.855 -5.344 1.406 1.00 0.18 H new ATOM 372 N LYS A 27 -4.905 -8.096 -2.551 1.00 0.21 N ATOM 373 CA LYS A 27 -4.094 -9.128 -3.165 1.00 0.25 C ATOM 374 C LYS A 27 -2.930 -8.544 -3.955 1.00 0.44 C ATOM 375 O LYS A 27 -1.935 -8.163 -3.379 1.00 1.20 O ATOM 376 CB LYS A 27 -4.943 -10.097 -3.994 1.00 0.26 C ATOM 377 CG LYS A 27 -5.919 -10.926 -3.177 1.00 0.36 C ATOM 378 CD LYS A 27 -6.728 -11.861 -4.061 1.00 1.43 C ATOM 379 CE LYS A 27 -7.763 -12.638 -3.256 1.00 1.66 C ATOM 380 NZ LYS A 27 -7.150 -13.555 -2.257 1.00 2.03 N ATOM 0 H LYS A 27 -5.471 -7.555 -3.205 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.651 -9.714 -2.360 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.501 -9.528 -4.738 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.280 -10.769 -4.538 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -5.372 -11.507 -2.434 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.593 -10.265 -2.632 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -7.229 -11.285 -4.839 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -6.058 -12.559 -4.563 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -8.419 -11.935 -2.742 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -8.387 -13.216 -3.938 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -7.659 -14.462 -2.260 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -6.152 -13.717 -2.501 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -7.210 -13.128 -1.311 1.00 2.03 H new ATOM 394 N LEU A 28 -3.064 -8.458 -5.255 1.00 0.34 N ATOM 395 CA LEU A 28 -2.023 -7.858 -6.103 1.00 0.34 C ATOM 396 C LEU A 28 -2.651 -6.919 -7.089 1.00 0.32 C ATOM 397 O LEU A 28 -2.576 -5.707 -6.955 1.00 0.46 O ATOM 398 CB LEU A 28 -1.243 -8.921 -6.879 1.00 0.56 C ATOM 399 CG LEU A 28 -0.522 -9.966 -6.057 1.00 0.58 C ATOM 400 CD1 LEU A 28 0.100 -11.016 -6.966 1.00 1.20 C ATOM 401 CD2 LEU A 28 0.539 -9.325 -5.173 1.00 1.12 C ATOM 0 H LEU A 28 -3.881 -8.793 -5.766 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.334 -7.326 -5.446 1.00 0.34 H new ATOM 0 HB2 LEU A 28 -1.936 -9.432 -7.548 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -0.509 -8.415 -7.506 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.250 -10.454 -5.409 1.00 0.58 H new ATOM 0 HD11 LEU A 28 0.616 -11.762 -6.361 1.00 1.20 H new ATOM 0 HD12 LEU A 28 -0.682 -11.501 -7.550 1.00 1.20 H new ATOM 0 HD13 LEU A 28 0.813 -10.539 -7.639 1.00 1.20 H new ATOM 0 HD21 LEU A 28 1.043 -10.097 -4.592 1.00 1.12 H new ATOM 0 HD22 LEU A 28 1.267 -8.806 -5.796 1.00 1.12 H new ATOM 0 HD23 LEU A 28 0.067 -8.612 -4.497 1.00 1.12 H new ATOM 413 N ASP A 29 -3.382 -7.472 -8.007 1.00 0.34 N ATOM 414 CA ASP A 29 -3.994 -6.717 -9.088 1.00 0.46 C ATOM 415 C ASP A 29 -5.349 -6.190 -8.608 1.00 0.34 C ATOM 416 O ASP A 29 -6.313 -6.025 -9.336 1.00 0.56 O ATOM 417 CB ASP A 29 -4.105 -7.618 -10.317 1.00 0.79 C ATOM 418 CG ASP A 29 -4.627 -6.892 -11.541 1.00 1.41 C ATOM 419 OD1 ASP A 29 -4.120 -5.808 -11.887 1.00 1.85 O ATOM 420 OD2 ASP A 29 -5.597 -7.380 -12.157 1.00 2.12 O ATOM 0 H ASP A 29 -3.581 -8.472 -8.038 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.390 -5.856 -9.373 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -3.125 -8.038 -10.542 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -4.766 -8.454 -10.089 1.00 0.79 H new ATOM 425 N LYS A 30 -5.340 -5.850 -7.360 1.00 0.26 N ATOM 426 CA LYS A 30 -6.431 -5.355 -6.656 1.00 0.21 C ATOM 427 C LYS A 30 -6.148 -3.930 -6.406 1.00 0.22 C ATOM 428 O LYS A 30 -5.368 -3.583 -5.527 1.00 0.32 O ATOM 429 CB LYS A 30 -6.609 -6.116 -5.344 1.00 0.23 C ATOM 430 CG LYS A 30 -7.619 -7.256 -5.387 1.00 0.43 C ATOM 431 CD LYS A 30 -7.377 -8.243 -6.497 1.00 0.61 C ATOM 432 CE LYS A 30 -8.415 -9.352 -6.469 1.00 0.66 C ATOM 433 NZ LYS A 30 -9.776 -8.843 -6.752 1.00 1.38 N ATOM 0 H LYS A 30 -4.501 -5.924 -6.784 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.357 -5.476 -7.218 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -5.642 -6.520 -5.043 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -6.915 -5.410 -4.572 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -7.597 -7.784 -4.434 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -8.620 -6.838 -5.497 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -7.411 -7.731 -7.459 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -6.379 -8.670 -6.399 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -8.152 -10.113 -7.203 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -8.404 -9.835 -5.492 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -10.454 -9.631 -6.723 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -10.038 -8.135 -6.037 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -9.794 -8.405 -7.695 1.00 1.38 H new ATOM 447 N SER A 31 -6.641 -3.140 -7.267 1.00 0.20 N ATOM 448 CA SER A 31 -6.502 -1.738 -7.187 1.00 0.21 C ATOM 449 C SER A 31 -7.217 -1.282 -5.937 1.00 0.19 C ATOM 450 O SER A 31 -8.426 -1.503 -5.800 1.00 0.21 O ATOM 451 CB SER A 31 -7.136 -1.119 -8.421 1.00 0.26 C ATOM 452 OG SER A 31 -6.799 -1.872 -9.587 1.00 1.23 O ATOM 0 H SER A 31 -7.172 -3.456 -8.078 1.00 0.20 H new ATOM 0 HA SER A 31 -5.455 -1.437 -7.143 1.00 0.21 H new ATOM 0 HB2 SER A 31 -8.219 -1.086 -8.303 1.00 0.26 H new ATOM 0 HB3 SER A 31 -6.796 -0.090 -8.535 1.00 0.26 H new ATOM 0 HG SER A 31 -7.216 -1.462 -10.373 1.00 1.23 H new ATOM 458 N PHE A 32 -6.472 -0.761 -5.000 1.00 0.21 N ATOM 459 CA PHE A 32 -7.041 -0.274 -3.754 1.00 0.20 C ATOM 460 C PHE A 32 -8.243 0.649 -3.980 1.00 0.23 C ATOM 461 O PHE A 32 -9.348 0.351 -3.531 1.00 0.28 O ATOM 462 CB PHE A 32 -6.005 0.421 -2.920 1.00 0.21 C ATOM 463 CG PHE A 32 -5.093 -0.487 -2.178 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.434 -0.997 -0.940 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.889 -0.854 -2.747 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.588 -1.860 -0.292 1.00 0.22 C ATOM 467 CE2 PHE A 32 -3.033 -1.704 -2.101 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.412 -2.132 -0.730 1.00 0.18 C ATOM 0 H PHE A 32 -5.460 -0.659 -5.069 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.398 -1.151 -3.215 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.408 1.063 -3.568 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.510 1.070 -2.205 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.370 -0.715 -0.481 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.619 -0.464 -3.717 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.924 -2.329 0.621 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -2.122 -2.049 -2.567 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.707 -2.665 -0.109 1.00 0.18 H new ATOM 478 N THR A 33 -8.029 1.744 -4.654 1.00 0.25 N ATOM 479 CA THR A 33 -9.072 2.684 -5.015 1.00 0.37 C ATOM 480 C THR A 33 -9.887 2.238 -6.261 1.00 0.37 C ATOM 481 O THR A 33 -10.155 3.050 -7.154 1.00 0.59 O ATOM 482 CB THR A 33 -8.394 4.024 -5.298 1.00 0.56 C ATOM 483 OG1 THR A 33 -6.972 3.779 -5.420 1.00 1.39 O ATOM 484 CG2 THR A 33 -8.646 5.014 -4.177 1.00 0.88 C ATOM 0 H THR A 33 -7.103 2.022 -4.979 1.00 0.25 H new ATOM 0 HA THR A 33 -9.784 2.749 -4.192 1.00 0.37 H new ATOM 0 HB THR A 33 -8.800 4.453 -6.214 1.00 0.56 H new ATOM 0 HG1 THR A 33 -6.579 4.432 -6.037 1.00 1.39 H new ATOM 0 HG21 THR A 33 -8.151 5.958 -4.407 1.00 0.88 H new ATOM 0 HG22 THR A 33 -9.718 5.182 -4.074 1.00 0.88 H new ATOM 0 HG23 THR A 33 -8.250 4.615 -3.243 1.00 0.88 H new ATOM 492 N ASP A 34 -10.317 0.969 -6.300 1.00 0.27 N ATOM 493 CA ASP A 34 -11.118 0.463 -7.439 1.00 0.29 C ATOM 494 C ASP A 34 -11.715 -0.908 -7.150 1.00 0.30 C ATOM 495 O ASP A 34 -12.923 -1.087 -7.198 1.00 0.46 O ATOM 496 CB ASP A 34 -10.287 0.402 -8.737 1.00 0.34 C ATOM 497 CG ASP A 34 -11.089 -0.067 -9.941 1.00 0.44 C ATOM 498 OD1 ASP A 34 -11.857 0.732 -10.512 1.00 0.59 O ATOM 499 OD2 ASP A 34 -10.997 -1.262 -10.302 1.00 0.54 O ATOM 0 H ASP A 34 -10.131 0.279 -5.572 1.00 0.27 H new ATOM 0 HA ASP A 34 -11.934 1.173 -7.578 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -9.877 1.390 -8.945 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.441 -0.269 -8.588 1.00 0.34 H new ATOM 504 N ASP A 35 -10.863 -1.859 -6.829 1.00 0.22 N ATOM 505 CA ASP A 35 -11.293 -3.246 -6.597 1.00 0.25 C ATOM 506 C ASP A 35 -11.692 -3.430 -5.173 1.00 0.28 C ATOM 507 O ASP A 35 -12.731 -4.000 -4.856 1.00 0.47 O ATOM 508 CB ASP A 35 -10.154 -4.240 -6.875 1.00 0.29 C ATOM 509 CG ASP A 35 -10.659 -5.670 -6.884 1.00 0.88 C ATOM 510 OD1 ASP A 35 -11.257 -6.105 -7.869 1.00 1.31 O ATOM 511 OD2 ASP A 35 -10.445 -6.389 -5.893 1.00 1.28 O ATOM 0 H ASP A 35 -9.860 -1.708 -6.719 1.00 0.22 H new ATOM 0 HA ASP A 35 -12.129 -3.435 -7.271 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -9.693 -4.009 -7.836 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.380 -4.130 -6.116 1.00 0.29 H new ATOM 516 N LEU A 36 -10.858 -2.927 -4.327 1.00 0.19 N ATOM 517 CA LEU A 36 -10.988 -3.102 -2.912 1.00 0.18 C ATOM 518 C LEU A 36 -11.974 -2.105 -2.343 1.00 0.22 C ATOM 519 O LEU A 36 -13.068 -2.463 -1.911 1.00 0.41 O ATOM 520 CB LEU A 36 -9.604 -2.900 -2.287 1.00 0.16 C ATOM 521 CG LEU A 36 -8.492 -3.774 -2.855 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.213 -3.605 -2.089 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.910 -5.205 -2.880 1.00 0.21 C ATOM 0 H LEU A 36 -10.048 -2.370 -4.601 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.363 -4.101 -2.688 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.319 -1.855 -2.409 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.678 -3.087 -1.216 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.306 -3.451 -3.879 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.443 -4.243 -2.522 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -6.893 -2.564 -2.140 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.373 -3.885 -1.048 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -8.103 -5.813 -3.289 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -9.136 -5.536 -1.866 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.798 -5.314 -3.503 1.00 0.21 H new ATOM 535 N ASP A 37 -11.530 -0.883 -2.374 1.00 0.21 N ATOM 536 CA ASP A 37 -12.182 0.357 -1.923 1.00 0.31 C ATOM 537 C ASP A 37 -11.511 0.917 -0.731 1.00 0.32 C ATOM 538 O ASP A 37 -11.958 0.776 0.410 1.00 0.65 O ATOM 539 CB ASP A 37 -13.711 0.356 -1.776 1.00 0.49 C ATOM 540 CG ASP A 37 -14.258 1.719 -1.369 1.00 0.82 C ATOM 541 OD1 ASP A 37 -14.231 2.663 -2.186 1.00 1.24 O ATOM 542 OD2 ASP A 37 -14.723 1.874 -0.222 1.00 1.05 O ATOM 0 H ASP A 37 -10.604 -0.687 -2.753 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.041 1.021 -2.776 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.164 0.053 -2.720 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -14.001 -0.386 -1.032 1.00 0.49 H new ATOM 547 N VAL A 38 -10.364 1.450 -0.974 1.00 0.30 N ATOM 548 CA VAL A 38 -9.670 2.142 0.036 1.00 0.32 C ATOM 549 C VAL A 38 -10.242 3.542 0.018 1.00 0.38 C ATOM 550 O VAL A 38 -10.728 3.995 -1.020 1.00 0.52 O ATOM 551 CB VAL A 38 -8.125 2.155 -0.209 1.00 0.37 C ATOM 552 CG1 VAL A 38 -7.731 3.047 -1.370 1.00 0.65 C ATOM 553 CG2 VAL A 38 -7.359 2.521 1.046 1.00 0.79 C ATOM 0 H VAL A 38 -9.889 1.415 -1.876 1.00 0.30 H new ATOM 0 HA VAL A 38 -9.797 1.659 1.005 1.00 0.32 H new ATOM 0 HB VAL A 38 -7.849 1.136 -0.481 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -6.649 3.021 -1.498 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.213 2.692 -2.281 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.048 4.070 -1.167 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.290 2.519 0.833 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -7.661 3.514 1.380 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -7.575 1.794 1.829 1.00 0.79 H new ATOM 563 N ASP A 39 -10.188 4.236 1.105 1.00 0.47 N ATOM 564 CA ASP A 39 -10.776 5.549 1.148 1.00 0.61 C ATOM 565 C ASP A 39 -9.770 6.583 0.782 1.00 0.60 C ATOM 566 O ASP A 39 -10.010 7.759 0.969 1.00 1.08 O ATOM 567 CB ASP A 39 -11.360 5.843 2.520 1.00 0.82 C ATOM 568 CG ASP A 39 -12.553 4.983 2.848 1.00 1.49 C ATOM 569 OD1 ASP A 39 -13.689 5.352 2.480 1.00 1.92 O ATOM 570 OD2 ASP A 39 -12.372 3.925 3.473 1.00 2.28 O ATOM 0 H ASP A 39 -9.749 3.927 1.972 1.00 0.47 H new ATOM 0 HA ASP A 39 -11.588 5.577 0.421 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -10.590 5.691 3.277 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -11.651 6.892 2.568 1.00 0.82 H new ATOM 575 N SER A 40 -8.619 6.099 0.260 1.00 0.38 N ATOM 576 CA SER A 40 -7.430 6.863 -0.189 1.00 0.37 C ATOM 577 C SER A 40 -6.781 7.738 0.909 1.00 0.32 C ATOM 578 O SER A 40 -5.573 7.875 0.967 1.00 0.37 O ATOM 579 CB SER A 40 -7.730 7.652 -1.436 1.00 0.56 C ATOM 580 OG SER A 40 -8.700 8.675 -1.143 1.00 0.75 O ATOM 0 H SER A 40 -8.487 5.096 0.132 1.00 0.38 H new ATOM 0 HA SER A 40 -6.674 6.116 -0.429 1.00 0.37 H new ATOM 0 HB2 SER A 40 -6.816 8.104 -1.820 1.00 0.56 H new ATOM 0 HB3 SER A 40 -8.110 6.990 -2.214 1.00 0.56 H new ATOM 585 N LEU A 41 -7.586 8.246 1.796 1.00 0.31 N ATOM 586 CA LEU A 41 -7.157 9.035 2.922 1.00 0.32 C ATOM 587 C LEU A 41 -6.553 8.064 3.893 1.00 0.26 C ATOM 588 O LEU A 41 -5.634 8.383 4.651 1.00 0.36 O ATOM 589 CB LEU A 41 -8.369 9.730 3.551 1.00 0.39 C ATOM 590 CG LEU A 41 -9.215 10.597 2.602 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.420 11.171 3.328 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.382 11.716 1.995 1.00 0.77 C ATOM 0 H LEU A 41 -8.597 8.119 1.757 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.443 9.807 2.635 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.014 8.968 3.987 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -8.019 10.358 4.370 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.569 9.958 1.793 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -11.004 11.780 2.638 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -11.039 10.357 3.706 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -10.083 11.788 4.161 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -9.005 12.313 1.329 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -7.990 12.350 2.790 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -7.554 11.288 1.431 1.00 0.77 H new ATOM 604 N SER A 42 -7.060 6.824 3.788 1.00 0.16 N ATOM 605 CA SER A 42 -6.577 5.704 4.500 1.00 0.19 C ATOM 606 C SER A 42 -5.143 5.551 4.133 1.00 0.15 C ATOM 607 O SER A 42 -4.275 5.474 4.979 1.00 0.15 O ATOM 608 CB SER A 42 -7.292 4.459 3.978 1.00 0.30 C ATOM 609 OG SER A 42 -8.664 4.708 3.741 1.00 0.71 O ATOM 0 H SER A 42 -7.844 6.601 3.175 1.00 0.16 H new ATOM 0 HA SER A 42 -6.728 5.826 5.573 1.00 0.19 H new ATOM 0 HB2 SER A 42 -6.817 4.126 3.055 1.00 0.30 H new ATOM 0 HB3 SER A 42 -7.188 3.649 4.700 1.00 0.30 H new ATOM 0 HG SER A 42 -9.206 4.110 4.297 1.00 0.71 H new ATOM 615 N MET A 43 -4.918 5.626 2.824 1.00 0.18 N ATOM 616 CA MET A 43 -3.656 5.348 2.220 1.00 0.21 C ATOM 617 C MET A 43 -2.612 6.284 2.723 1.00 0.18 C ATOM 618 O MET A 43 -1.515 5.895 2.904 1.00 0.21 O ATOM 619 CB MET A 43 -3.734 5.473 0.718 1.00 0.28 C ATOM 620 CG MET A 43 -2.589 4.804 0.026 1.00 0.39 C ATOM 621 SD MET A 43 -2.723 3.031 0.152 1.00 0.42 S ATOM 622 CE MET A 43 -4.201 2.816 -0.819 1.00 0.34 C ATOM 0 H MET A 43 -5.639 5.890 2.153 1.00 0.18 H new ATOM 0 HA MET A 43 -3.390 4.325 2.484 1.00 0.21 H new ATOM 0 HB2 MET A 43 -4.670 5.037 0.369 1.00 0.28 H new ATOM 0 HB3 MET A 43 -3.753 6.528 0.445 1.00 0.28 H new ATOM 0 HG2 MET A 43 -2.570 5.098 -1.023 1.00 0.39 H new ATOM 0 HG3 MET A 43 -1.648 5.135 0.467 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.547 1.786 -0.732 1.00 0.34 H new ATOM 0 HE2 MET A 43 -4.976 3.491 -0.456 1.00 0.34 H new ATOM 0 HE3 MET A 43 -3.985 3.039 -1.864 1.00 0.34 H new ATOM 632 N VAL A 44 -2.987 7.507 3.000 1.00 0.19 N ATOM 633 CA VAL A 44 -2.034 8.487 3.460 1.00 0.22 C ATOM 634 C VAL A 44 -1.480 8.108 4.858 1.00 0.20 C ATOM 635 O VAL A 44 -0.311 8.363 5.178 1.00 0.35 O ATOM 636 CB VAL A 44 -2.620 9.921 3.428 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.562 10.955 3.765 1.00 0.45 C ATOM 638 CG2 VAL A 44 -3.224 10.211 2.059 1.00 0.49 C ATOM 0 H VAL A 44 -3.944 7.849 2.915 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.193 8.485 2.767 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.403 9.983 4.184 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -2.004 11.951 3.734 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -1.170 10.762 4.764 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.751 10.895 3.039 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -3.633 11.221 2.048 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -2.452 10.124 1.295 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -4.020 9.495 1.854 1.00 0.49 H new ATOM 648 N GLU A 45 -2.296 7.437 5.652 1.00 0.13 N ATOM 649 CA GLU A 45 -1.855 6.940 6.935 1.00 0.14 C ATOM 650 C GLU A 45 -1.165 5.599 6.716 1.00 0.16 C ATOM 651 O GLU A 45 -0.194 5.260 7.408 1.00 0.25 O ATOM 652 CB GLU A 45 -3.039 6.788 7.883 1.00 0.20 C ATOM 653 CG GLU A 45 -3.798 8.077 8.148 1.00 0.31 C ATOM 654 CD GLU A 45 -2.954 9.102 8.856 1.00 1.00 C ATOM 655 OE1 GLU A 45 -2.876 9.084 10.099 1.00 1.07 O ATOM 656 OE2 GLU A 45 -2.349 9.953 8.171 1.00 1.85 O ATOM 0 H GLU A 45 -3.268 7.226 5.427 1.00 0.13 H new ATOM 0 HA GLU A 45 -1.158 7.644 7.389 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.729 6.053 7.469 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.681 6.390 8.832 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -4.150 8.490 7.202 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -4.681 7.859 8.749 1.00 0.31 H new ATOM 663 N VAL A 46 -1.652 4.864 5.706 1.00 0.15 N ATOM 664 CA VAL A 46 -1.079 3.578 5.309 1.00 0.20 C ATOM 665 C VAL A 46 0.359 3.800 4.819 1.00 0.24 C ATOM 666 O VAL A 46 1.213 2.990 5.044 1.00 0.30 O ATOM 667 CB VAL A 46 -1.946 2.848 4.192 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.376 1.502 3.811 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.374 2.631 4.647 1.00 0.22 C ATOM 0 H VAL A 46 -2.454 5.148 5.144 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.079 2.922 6.179 1.00 0.20 H new ATOM 0 HB VAL A 46 -1.922 3.511 3.327 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.003 1.045 3.046 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.366 1.631 3.422 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.347 0.857 4.689 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -3.935 2.130 3.858 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.380 2.013 5.545 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -3.836 3.593 4.866 1.00 0.22 H new ATOM 679 N VAL A 47 0.588 4.954 4.207 1.00 0.30 N ATOM 680 CA VAL A 47 1.889 5.402 3.713 1.00 0.51 C ATOM 681 C VAL A 47 2.843 5.503 4.833 1.00 0.37 C ATOM 682 O VAL A 47 3.774 4.749 4.877 1.00 0.31 O ATOM 683 CB VAL A 47 1.744 6.790 2.999 1.00 0.91 C ATOM 684 CG1 VAL A 47 3.078 7.488 2.803 1.00 1.49 C ATOM 685 CG2 VAL A 47 1.086 6.616 1.660 1.00 0.96 C ATOM 0 H VAL A 47 -0.154 5.632 4.033 1.00 0.30 H new ATOM 0 HA VAL A 47 2.265 4.676 2.993 1.00 0.51 H new ATOM 0 HB VAL A 47 1.130 7.413 3.649 1.00 0.91 H new ATOM 0 HG11 VAL A 47 2.919 8.444 2.304 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.546 7.658 3.773 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.729 6.864 2.191 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.990 7.586 1.173 1.00 0.96 H new ATOM 0 HG22 VAL A 47 1.693 5.957 1.039 1.00 0.96 H new ATOM 0 HG23 VAL A 47 0.097 6.179 1.795 1.00 0.96 H new ATOM 695 N VAL A 48 2.575 6.390 5.759 1.00 0.39 N ATOM 696 CA VAL A 48 3.462 6.633 6.880 1.00 0.39 C ATOM 697 C VAL A 48 3.745 5.349 7.647 1.00 0.30 C ATOM 698 O VAL A 48 4.866 5.110 8.079 1.00 0.37 O ATOM 699 CB VAL A 48 2.898 7.747 7.790 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.764 7.973 9.018 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.808 9.017 6.982 1.00 0.76 C ATOM 0 H VAL A 48 1.734 6.968 5.761 1.00 0.39 H new ATOM 0 HA VAL A 48 4.419 6.984 6.493 1.00 0.39 H new ATOM 0 HB VAL A 48 1.914 7.443 8.146 1.00 0.48 H new ATOM 0 HG11 VAL A 48 3.330 8.764 9.629 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.817 7.053 9.600 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.767 8.264 8.707 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.412 9.818 7.606 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.800 9.292 6.625 1.00 0.76 H new ATOM 0 HG23 VAL A 48 2.147 8.860 6.130 1.00 0.76 H new ATOM 711 N ALA A 49 2.755 4.489 7.694 1.00 0.20 N ATOM 712 CA ALA A 49 2.883 3.217 8.366 1.00 0.19 C ATOM 713 C ALA A 49 3.745 2.253 7.523 1.00 0.18 C ATOM 714 O ALA A 49 4.647 1.582 8.034 1.00 0.25 O ATOM 715 CB ALA A 49 1.501 2.649 8.629 1.00 0.22 C ATOM 0 H ALA A 49 1.842 4.650 7.269 1.00 0.20 H new ATOM 0 HA ALA A 49 3.387 3.352 9.323 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.593 1.689 9.136 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.938 3.339 9.257 1.00 0.22 H new ATOM 0 HB3 ALA A 49 0.978 2.511 7.683 1.00 0.22 H new ATOM 721 N ALA A 50 3.487 2.222 6.225 1.00 0.15 N ATOM 722 CA ALA A 50 4.238 1.388 5.299 1.00 0.18 C ATOM 723 C ALA A 50 5.680 1.859 5.205 1.00 0.18 C ATOM 724 O ALA A 50 6.602 1.044 5.156 1.00 0.20 O ATOM 725 CB ALA A 50 3.603 1.386 3.916 1.00 0.21 C ATOM 0 H ALA A 50 2.751 2.774 5.784 1.00 0.15 H new ATOM 0 HA ALA A 50 4.220 0.369 5.685 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.188 0.754 3.248 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.586 1.000 3.983 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.580 2.403 3.525 1.00 0.21 H new ATOM 731 N GLU A 51 5.873 3.176 5.207 1.00 0.20 N ATOM 732 CA GLU A 51 7.194 3.771 5.153 1.00 0.23 C ATOM 733 C GLU A 51 8.023 3.267 6.312 1.00 0.24 C ATOM 734 O GLU A 51 9.174 2.905 6.147 1.00 0.29 O ATOM 735 CB GLU A 51 7.144 5.298 5.222 1.00 0.23 C ATOM 736 CG GLU A 51 6.373 5.999 4.101 1.00 0.29 C ATOM 737 CD GLU A 51 6.267 7.495 4.334 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.072 7.915 5.487 1.00 0.59 O ATOM 739 OE2 GLU A 51 6.379 8.263 3.354 1.00 0.73 O ATOM 0 H GLU A 51 5.114 3.856 5.246 1.00 0.20 H new ATOM 0 HA GLU A 51 7.638 3.485 4.199 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.699 5.584 6.175 1.00 0.23 H new ATOM 0 HB3 GLU A 51 8.167 5.675 5.222 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.870 5.815 3.149 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.373 5.572 4.026 1.00 0.29 H new ATOM 746 N GLU A 52 7.383 3.156 7.455 1.00 0.24 N ATOM 747 CA GLU A 52 8.058 2.751 8.684 1.00 0.30 C ATOM 748 C GLU A 52 8.363 1.271 8.702 1.00 0.28 C ATOM 749 O GLU A 52 9.486 0.853 8.982 1.00 0.41 O ATOM 750 CB GLU A 52 7.209 3.086 9.901 1.00 0.41 C ATOM 751 CG GLU A 52 7.040 4.551 10.165 1.00 1.14 C ATOM 752 CD GLU A 52 6.205 4.798 11.377 1.00 1.75 C ATOM 753 OE1 GLU A 52 4.973 4.710 11.286 1.00 2.26 O ATOM 754 OE2 GLU A 52 6.767 5.087 12.445 1.00 2.46 O ATOM 0 H GLU A 52 6.386 3.341 7.566 1.00 0.24 H new ATOM 0 HA GLU A 52 8.997 3.303 8.719 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.224 2.638 9.773 1.00 0.41 H new ATOM 0 HB3 GLU A 52 7.659 2.622 10.779 1.00 0.41 H new ATOM 0 HG2 GLU A 52 8.019 5.013 10.296 1.00 1.14 H new ATOM 0 HG3 GLU A 52 6.577 5.026 9.300 1.00 1.14 H new ATOM 761 N ARG A 53 7.376 0.485 8.360 1.00 0.21 N ATOM 762 CA ARG A 53 7.469 -0.947 8.497 1.00 0.23 C ATOM 763 C ARG A 53 8.319 -1.564 7.379 1.00 0.23 C ATOM 764 O ARG A 53 8.874 -2.651 7.522 1.00 0.32 O ATOM 765 CB ARG A 53 6.062 -1.554 8.518 1.00 0.25 C ATOM 766 CG ARG A 53 5.397 -1.648 7.171 1.00 0.23 C ATOM 767 CD ARG A 53 3.963 -2.145 7.251 1.00 0.34 C ATOM 768 NE ARG A 53 3.751 -3.345 8.111 1.00 0.86 N ATOM 769 CZ ARG A 53 4.234 -4.606 7.910 1.00 0.84 C ATOM 770 NH1 ARG A 53 5.308 -4.814 7.156 1.00 1.08 N ATOM 771 NH2 ARG A 53 3.663 -5.639 8.514 1.00 1.72 N ATOM 0 H ARG A 53 6.489 0.816 7.980 1.00 0.21 H new ATOM 0 HA ARG A 53 7.967 -1.174 9.439 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.119 -2.553 8.951 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.433 -0.956 9.178 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.410 -0.667 6.696 1.00 0.23 H new ATOM 0 HG3 ARG A 53 5.973 -2.318 6.533 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.336 -1.336 7.624 1.00 0.34 H new ATOM 0 HD3 ARG A 53 3.619 -2.376 6.243 1.00 0.34 H new ATOM 0 HE ARG A 53 3.180 -3.208 8.945 1.00 0.86 H new ATOM 0 HH11 ARG A 53 5.784 -4.025 6.718 1.00 1.08 H new ATOM 0 HH12 ARG A 53 5.657 -5.762 7.015 1.00 1.08 H new ATOM 0 HH21 ARG A 53 2.863 -5.492 9.129 1.00 1.72 H new ATOM 0 HH22 ARG A 53 4.024 -6.581 8.364 1.00 1.72 H new ATOM 785 N PHE A 54 8.401 -0.880 6.268 1.00 0.17 N ATOM 786 CA PHE A 54 9.151 -1.381 5.152 1.00 0.19 C ATOM 787 C PHE A 54 10.499 -0.705 5.038 1.00 0.20 C ATOM 788 O PHE A 54 11.419 -1.256 4.436 1.00 0.28 O ATOM 789 CB PHE A 54 8.353 -1.244 3.857 1.00 0.19 C ATOM 790 CG PHE A 54 7.090 -2.056 3.834 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.120 -3.412 4.096 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.876 -1.465 3.541 1.00 0.27 C ATOM 793 CE1 PHE A 54 5.966 -4.156 4.075 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.717 -2.204 3.518 1.00 0.32 C ATOM 795 CZ PHE A 54 4.762 -3.548 3.784 1.00 0.34 C ATOM 0 H PHE A 54 7.957 0.025 6.114 1.00 0.17 H new ATOM 0 HA PHE A 54 9.335 -2.441 5.326 1.00 0.19 H new ATOM 0 HB2 PHE A 54 8.102 -0.194 3.706 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.983 -1.545 3.020 1.00 0.19 H new ATOM 0 HD1 PHE A 54 8.061 -3.892 4.320 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.837 -0.407 3.327 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.001 -5.215 4.286 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.775 -1.728 3.291 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.854 -4.132 3.766 1.00 0.34 H new ATOM 805 N ASP A 55 10.595 0.503 5.613 1.00 0.19 N ATOM 806 CA ASP A 55 11.811 1.360 5.587 1.00 0.26 C ATOM 807 C ASP A 55 12.139 1.757 4.138 1.00 0.29 C ATOM 808 O ASP A 55 13.237 2.187 3.797 1.00 0.47 O ATOM 809 CB ASP A 55 12.997 0.671 6.299 1.00 0.36 C ATOM 810 CG ASP A 55 14.148 1.612 6.597 1.00 0.93 C ATOM 811 OD1 ASP A 55 13.919 2.735 7.080 1.00 1.06 O ATOM 812 OD2 ASP A 55 15.314 1.252 6.322 1.00 1.56 O ATOM 0 H ASP A 55 9.820 0.929 6.121 1.00 0.19 H new ATOM 0 HA ASP A 55 11.615 2.276 6.144 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.645 0.232 7.232 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.358 -0.148 5.677 1.00 0.36 H new ATOM 817 N VAL A 56 11.121 1.641 3.309 1.00 0.22 N ATOM 818 CA VAL A 56 11.180 1.961 1.899 1.00 0.29 C ATOM 819 C VAL A 56 10.810 3.402 1.699 1.00 0.25 C ATOM 820 O VAL A 56 11.560 4.186 1.110 1.00 0.34 O ATOM 821 CB VAL A 56 10.173 1.061 1.131 1.00 0.42 C ATOM 822 CG1 VAL A 56 9.985 1.495 -0.308 1.00 0.93 C ATOM 823 CG2 VAL A 56 10.654 -0.328 1.140 1.00 1.16 C ATOM 0 H VAL A 56 10.203 1.312 3.608 1.00 0.22 H new ATOM 0 HA VAL A 56 12.189 1.789 1.525 1.00 0.29 H new ATOM 0 HB VAL A 56 9.212 1.150 1.638 1.00 0.42 H new ATOM 0 HG11 VAL A 56 9.272 0.832 -0.798 1.00 0.93 H new ATOM 0 HG12 VAL A 56 9.607 2.517 -0.333 1.00 0.93 H new ATOM 0 HG13 VAL A 56 10.941 1.449 -0.830 1.00 0.93 H new ATOM 0 HG21 VAL A 56 9.949 -0.961 0.602 1.00 1.16 H new ATOM 0 HG22 VAL A 56 11.629 -0.378 0.656 1.00 1.16 H new ATOM 0 HG23 VAL A 56 10.741 -0.676 2.169 1.00 1.16 H new ATOM 833 N LYS A 57 9.643 3.717 2.205 1.00 0.20 N ATOM 834 CA LYS A 57 9.001 5.000 2.051 1.00 0.23 C ATOM 835 C LYS A 57 8.391 5.167 0.676 1.00 0.22 C ATOM 836 O LYS A 57 9.089 5.205 -0.343 1.00 0.31 O ATOM 837 CB LYS A 57 9.873 6.218 2.464 1.00 0.33 C ATOM 838 CG LYS A 57 9.250 7.562 2.098 1.00 0.72 C ATOM 839 CD LYS A 57 9.962 8.769 2.705 1.00 1.20 C ATOM 840 CE LYS A 57 9.670 8.941 4.205 1.00 1.08 C ATOM 841 NZ LYS A 57 10.368 7.965 5.073 1.00 1.48 N ATOM 0 H LYS A 57 9.092 3.060 2.758 1.00 0.20 H new ATOM 0 HA LYS A 57 8.186 4.993 2.775 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.042 6.186 3.540 1.00 0.33 H new ATOM 0 HB3 LYS A 57 10.849 6.136 1.985 1.00 0.33 H new ATOM 0 HG2 LYS A 57 9.246 7.664 1.013 1.00 0.72 H new ATOM 0 HG3 LYS A 57 8.209 7.568 2.422 1.00 0.72 H new ATOM 0 HD2 LYS A 57 11.037 8.662 2.559 1.00 1.20 H new ATOM 0 HD3 LYS A 57 9.656 9.670 2.174 1.00 1.20 H new ATOM 0 HE2 LYS A 57 9.956 9.949 4.507 1.00 1.08 H new ATOM 0 HE3 LYS A 57 8.596 8.852 4.368 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 10.647 8.428 5.962 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 9.732 7.169 5.282 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 11.216 7.612 4.586 1.00 1.48 H new ATOM 855 N ILE A 58 7.087 5.204 0.655 1.00 0.18 N ATOM 856 CA ILE A 58 6.351 5.458 -0.547 1.00 0.20 C ATOM 857 C ILE A 58 5.440 6.561 -0.204 1.00 0.22 C ATOM 858 O ILE A 58 4.404 6.307 0.382 1.00 0.34 O ATOM 859 CB ILE A 58 5.445 4.279 -1.061 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.143 2.913 -0.939 1.00 0.25 C ATOM 861 CG2 ILE A 58 4.984 4.556 -2.501 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.109 2.327 0.471 1.00 0.52 C ATOM 0 H ILE A 58 6.504 5.057 1.479 1.00 0.18 H new ATOM 0 HA ILE A 58 7.075 5.646 -1.340 1.00 0.20 H new ATOM 0 HB ILE A 58 4.565 4.228 -0.420 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.670 2.211 -1.626 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.181 3.017 -1.254 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.358 3.734 -2.847 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.413 5.484 -2.528 1.00 0.28 H new ATOM 0 HG23 ILE A 58 5.855 4.647 -3.151 1.00 0.28 H new ATOM 0 HD11 ILE A 58 6.620 1.364 0.477 1.00 0.52 H new ATOM 0 HD12 ILE A 58 6.609 3.008 1.160 1.00 0.52 H new ATOM 0 HD13 ILE A 58 5.074 2.190 0.783 1.00 0.52 H new ATOM 874 N PRO A 59 5.837 7.804 -0.467 1.00 0.23 N ATOM 875 CA PRO A 59 4.993 8.955 -0.187 1.00 0.25 C ATOM 876 C PRO A 59 3.669 8.779 -0.900 1.00 0.19 C ATOM 877 O PRO A 59 3.637 8.169 -1.978 1.00 0.19 O ATOM 878 CB PRO A 59 5.766 10.123 -0.809 1.00 0.34 C ATOM 879 CG PRO A 59 7.180 9.660 -0.865 1.00 0.41 C ATOM 880 CD PRO A 59 7.125 8.180 -1.070 1.00 0.34 C ATOM 0 HA PRO A 59 4.785 9.099 0.873 1.00 0.25 H new ATOM 0 HB2 PRO A 59 5.389 10.362 -1.803 1.00 0.34 H new ATOM 0 HB3 PRO A 59 5.670 11.026 -0.206 1.00 0.34 H new ATOM 0 HG2 PRO A 59 7.717 10.146 -1.679 1.00 0.41 H new ATOM 0 HG3 PRO A 59 7.707 9.906 0.057 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.166 7.918 -2.127 1.00 0.34 H new ATOM 0 HD3 PRO A 59 7.960 7.675 -0.584 1.00 0.34 H new ATOM 888 N ASP A 60 2.578 9.304 -0.347 1.00 0.21 N ATOM 889 CA ASP A 60 1.249 9.136 -0.984 1.00 0.26 C ATOM 890 C ASP A 60 1.224 9.753 -2.400 1.00 0.25 C ATOM 891 O ASP A 60 0.360 9.451 -3.214 1.00 0.35 O ATOM 892 CB ASP A 60 0.093 9.673 -0.118 1.00 0.36 C ATOM 893 CG ASP A 60 -0.011 11.166 -0.124 1.00 0.65 C ATOM 894 OD1 ASP A 60 0.848 11.831 0.461 1.00 0.88 O ATOM 895 OD2 ASP A 60 -0.970 11.692 -0.713 1.00 0.95 O ATOM 0 H ASP A 60 2.572 9.840 0.521 1.00 0.21 H new ATOM 0 HA ASP A 60 1.087 8.062 -1.077 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.846 9.249 -0.475 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.228 9.330 0.908 1.00 0.36 H new ATOM 900 N ASP A 61 2.223 10.561 -2.679 1.00 0.22 N ATOM 901 CA ASP A 61 2.441 11.166 -3.987 1.00 0.26 C ATOM 902 C ASP A 61 2.990 10.126 -4.978 1.00 0.27 C ATOM 903 O ASP A 61 2.681 10.159 -6.139 1.00 0.33 O ATOM 904 CB ASP A 61 3.398 12.351 -3.847 1.00 0.36 C ATOM 905 CG ASP A 61 3.733 13.009 -5.161 1.00 0.75 C ATOM 906 OD1 ASP A 61 2.878 13.731 -5.714 1.00 0.81 O ATOM 907 OD2 ASP A 61 4.868 12.843 -5.651 1.00 1.16 O ATOM 0 H ASP A 61 2.927 10.826 -1.990 1.00 0.22 H new ATOM 0 HA ASP A 61 1.491 11.527 -4.380 1.00 0.26 H new ATOM 0 HB2 ASP A 61 2.953 13.091 -3.182 1.00 0.36 H new ATOM 0 HB3 ASP A 61 4.319 12.010 -3.374 1.00 0.36 H new ATOM 912 N ASP A 62 3.768 9.186 -4.486 1.00 0.25 N ATOM 913 CA ASP A 62 4.325 8.085 -5.320 1.00 0.28 C ATOM 914 C ASP A 62 3.334 6.969 -5.367 1.00 0.26 C ATOM 915 O ASP A 62 3.264 6.197 -6.312 1.00 0.36 O ATOM 916 CB ASP A 62 5.656 7.552 -4.780 1.00 0.33 C ATOM 917 CG ASP A 62 6.826 8.432 -5.100 1.00 0.89 C ATOM 918 OD1 ASP A 62 7.107 9.370 -4.318 1.00 1.58 O ATOM 919 OD2 ASP A 62 7.470 8.226 -6.135 1.00 1.58 O ATOM 0 H ASP A 62 4.045 9.142 -3.505 1.00 0.25 H new ATOM 0 HA ASP A 62 4.516 8.487 -6.315 1.00 0.28 H new ATOM 0 HB2 ASP A 62 5.581 7.439 -3.698 1.00 0.33 H new ATOM 0 HB3 ASP A 62 5.835 6.559 -5.192 1.00 0.33 H new ATOM 924 N VAL A 63 2.554 6.928 -4.320 1.00 0.21 N ATOM 925 CA VAL A 63 1.451 6.003 -4.113 1.00 0.25 C ATOM 926 C VAL A 63 0.459 6.026 -5.275 1.00 0.24 C ATOM 927 O VAL A 63 -0.184 5.034 -5.566 1.00 0.26 O ATOM 928 CB VAL A 63 0.771 6.355 -2.757 1.00 0.40 C ATOM 929 CG1 VAL A 63 -0.673 5.922 -2.648 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.565 5.737 -1.635 1.00 0.73 C ATOM 0 H VAL A 63 2.671 7.573 -3.539 1.00 0.21 H new ATOM 0 HA VAL A 63 1.832 4.982 -4.076 1.00 0.25 H new ATOM 0 HB VAL A 63 0.761 7.443 -2.693 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -1.066 6.207 -1.672 1.00 0.51 H new ATOM 0 HG12 VAL A 63 -1.258 6.406 -3.430 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.738 4.840 -2.763 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.096 5.979 -0.681 1.00 0.73 H new ATOM 0 HG22 VAL A 63 1.593 4.655 -1.762 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.582 6.130 -1.649 1.00 0.73 H new ATOM 940 N LYS A 64 0.417 7.135 -5.992 1.00 0.29 N ATOM 941 CA LYS A 64 -0.492 7.267 -7.117 1.00 0.37 C ATOM 942 C LYS A 64 -0.089 6.348 -8.245 1.00 0.34 C ATOM 943 O LYS A 64 -0.895 5.943 -9.063 1.00 0.42 O ATOM 944 CB LYS A 64 -0.551 8.700 -7.643 1.00 0.51 C ATOM 945 CG LYS A 64 0.754 9.208 -8.217 1.00 0.58 C ATOM 946 CD LYS A 64 0.651 10.635 -8.707 1.00 0.72 C ATOM 947 CE LYS A 64 0.317 11.603 -7.576 1.00 0.61 C ATOM 948 NZ LYS A 64 0.267 13.004 -8.027 1.00 0.87 N ATOM 0 H LYS A 64 0.999 7.954 -5.817 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.481 6.991 -6.750 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.321 8.761 -8.412 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -0.859 9.360 -6.832 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.532 9.143 -7.456 1.00 0.58 H new ATOM 0 HG3 LYS A 64 1.060 8.565 -9.042 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.593 10.929 -9.170 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.117 10.699 -9.478 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -0.645 11.330 -7.141 1.00 0.61 H new ATOM 0 HE3 LYS A 64 1.063 11.505 -6.787 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 0.037 13.620 -7.221 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 1.192 13.276 -8.418 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -0.463 13.107 -8.761 1.00 0.87 H new ATOM 962 N ASN A 65 1.157 6.015 -8.255 1.00 0.30 N ATOM 963 CA ASN A 65 1.722 5.212 -9.293 1.00 0.36 C ATOM 964 C ASN A 65 1.542 3.763 -8.938 1.00 0.34 C ATOM 965 O ASN A 65 1.777 2.890 -9.740 1.00 0.56 O ATOM 966 CB ASN A 65 3.210 5.551 -9.448 1.00 0.49 C ATOM 967 CG ASN A 65 3.442 7.031 -9.722 1.00 0.64 C ATOM 968 OD1 ASN A 65 2.649 7.691 -10.403 1.00 1.09 O ATOM 969 ND2 ASN A 65 4.481 7.576 -9.149 1.00 0.67 N ATOM 0 H ASN A 65 1.823 6.295 -7.535 1.00 0.30 H new ATOM 0 HA ASN A 65 1.222 5.411 -10.241 1.00 0.36 H new ATOM 0 HB2 ASN A 65 3.742 5.264 -8.541 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.631 4.963 -10.263 1.00 0.49 H new ATOM 0 HD21 ASN A 65 4.657 8.575 -9.257 1.00 0.67 H new ATOM 0 HD22 ASN A 65 5.116 7.003 -8.593 1.00 0.67 H new ATOM 976 N LEU A 66 1.052 3.517 -7.745 1.00 0.22 N ATOM 977 CA LEU A 66 0.934 2.163 -7.254 1.00 0.23 C ATOM 978 C LEU A 66 -0.498 1.758 -7.109 1.00 0.37 C ATOM 979 O LEU A 66 -0.798 1.017 -6.235 1.00 0.89 O ATOM 980 CB LEU A 66 1.607 2.011 -5.906 1.00 0.25 C ATOM 981 CG LEU A 66 3.040 2.491 -5.798 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.557 2.274 -4.410 1.00 0.41 C ATOM 983 CD2 LEU A 66 3.938 1.823 -6.800 1.00 0.31 C ATOM 0 H LEU A 66 0.729 4.235 -7.097 1.00 0.22 H new ATOM 0 HA LEU A 66 1.423 1.522 -7.988 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.012 2.549 -5.167 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.581 0.957 -5.630 1.00 0.25 H new ATOM 0 HG LEU A 66 3.043 3.558 -6.020 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.588 2.623 -4.347 1.00 0.41 H new ATOM 0 HD12 LEU A 66 2.942 2.829 -3.702 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.519 1.212 -4.169 1.00 0.41 H new ATOM 0 HD21 LEU A 66 4.955 2.199 -6.685 1.00 0.31 H new ATOM 0 HD22 LEU A 66 3.928 0.745 -6.636 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.583 2.040 -7.808 1.00 0.31 H new ATOM 995 N LYS A 67 -1.348 2.260 -7.993 1.00 0.26 N ATOM 996 CA LYS A 67 -2.816 1.938 -8.102 1.00 0.30 C ATOM 997 C LYS A 67 -3.235 0.539 -7.547 1.00 0.36 C ATOM 998 O LYS A 67 -4.316 0.391 -6.969 1.00 0.72 O ATOM 999 CB LYS A 67 -3.265 2.043 -9.580 1.00 0.45 C ATOM 1000 CG LYS A 67 -2.475 1.123 -10.527 1.00 1.06 C ATOM 1001 CD LYS A 67 -3.109 1.010 -11.915 1.00 1.55 C ATOM 1002 CE LYS A 67 -3.042 2.301 -12.721 1.00 1.97 C ATOM 1003 NZ LYS A 67 -1.656 2.680 -13.074 1.00 2.81 N ATOM 0 H LYS A 67 -1.049 2.935 -8.697 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.314 2.674 -7.471 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.325 1.798 -9.648 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -3.155 3.075 -9.913 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -1.458 1.501 -10.628 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.403 0.130 -10.084 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -2.608 0.218 -12.471 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -4.152 0.713 -11.806 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -3.627 2.186 -13.634 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -3.500 3.107 -12.148 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -1.673 3.485 -13.732 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -1.139 2.949 -12.212 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -1.180 1.873 -13.526 1.00 2.81 H new ATOM 1017 N THR A 68 -2.411 -0.464 -7.746 1.00 0.21 N ATOM 1018 CA THR A 68 -2.708 -1.763 -7.255 1.00 0.19 C ATOM 1019 C THR A 68 -1.775 -2.184 -6.148 1.00 0.18 C ATOM 1020 O THR A 68 -0.671 -1.654 -5.998 1.00 0.25 O ATOM 1021 CB THR A 68 -2.633 -2.814 -8.336 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.367 -2.721 -9.010 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.759 -2.694 -9.317 1.00 0.22 C ATOM 0 H THR A 68 -1.527 -0.390 -8.250 1.00 0.21 H new ATOM 0 HA THR A 68 -3.727 -1.692 -6.875 1.00 0.19 H new ATOM 0 HB THR A 68 -2.726 -3.791 -7.862 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.318 -3.405 -9.710 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.664 -3.470 -10.076 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.709 -2.810 -8.796 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.724 -1.714 -9.793 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.181 -3.206 -5.429 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.353 -3.767 -4.383 1.00 0.14 C ATOM 1033 C VAL A 69 -0.059 -4.320 -4.978 1.00 0.16 C ATOM 1034 O VAL A 69 1.014 -4.200 -4.397 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.037 -4.917 -3.671 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.263 -5.196 -2.436 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.487 -4.628 -3.346 1.00 0.15 C ATOM 0 H VAL A 69 -3.083 -3.668 -5.549 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.159 -2.960 -3.676 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.054 -5.786 -4.329 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.726 -6.021 -1.895 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.240 -5.465 -2.700 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.253 -4.308 -1.804 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -3.924 -5.487 -2.837 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.547 -3.753 -2.698 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.035 -4.435 -4.268 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.188 -4.903 -6.131 1.00 0.17 N ATOM 1048 CA GLY A 70 0.915 -5.501 -6.811 1.00 0.20 C ATOM 1049 C GLY A 70 1.884 -4.481 -7.295 1.00 0.16 C ATOM 1050 O GLY A 70 3.071 -4.740 -7.364 1.00 0.17 O ATOM 0 H GLY A 70 -1.074 -4.976 -6.630 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.422 -6.195 -6.141 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.548 -6.084 -7.656 1.00 0.20 H new ATOM 1054 N ASP A 71 1.397 -3.292 -7.597 1.00 0.15 N ATOM 1055 CA ASP A 71 2.284 -2.260 -8.065 1.00 0.16 C ATOM 1056 C ASP A 71 3.038 -1.735 -6.882 1.00 0.14 C ATOM 1057 O ASP A 71 4.245 -1.504 -6.947 1.00 0.15 O ATOM 1058 CB ASP A 71 1.547 -1.119 -8.694 1.00 0.21 C ATOM 1059 CG ASP A 71 2.411 -0.422 -9.727 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.316 0.320 -9.384 1.00 0.46 O ATOM 1061 OD2 ASP A 71 2.202 -0.653 -10.947 1.00 0.62 O ATOM 0 H ASP A 71 0.415 -3.026 -7.527 1.00 0.15 H new ATOM 0 HA ASP A 71 2.942 -2.690 -8.820 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.634 -1.485 -9.164 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.246 -0.407 -7.925 1.00 0.21 H new ATOM 1066 N ALA A 72 2.308 -1.577 -5.774 1.00 0.15 N ATOM 1067 CA ALA A 72 2.890 -1.168 -4.515 1.00 0.16 C ATOM 1068 C ALA A 72 3.989 -2.124 -4.151 1.00 0.15 C ATOM 1069 O ALA A 72 5.125 -1.731 -3.999 1.00 0.17 O ATOM 1070 CB ALA A 72 1.838 -1.177 -3.440 1.00 0.21 C ATOM 0 H ALA A 72 1.300 -1.731 -5.736 1.00 0.15 H new ATOM 0 HA ALA A 72 3.293 -0.160 -4.609 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.282 -0.868 -2.494 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.038 -0.487 -3.708 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.430 -2.183 -3.338 1.00 0.21 H new ATOM 1076 N THR A 73 3.646 -3.387 -4.101 1.00 0.14 N ATOM 1077 CA THR A 73 4.562 -4.458 -3.771 1.00 0.16 C ATOM 1078 C THR A 73 5.757 -4.506 -4.754 1.00 0.18 C ATOM 1079 O THR A 73 6.878 -4.857 -4.373 1.00 0.28 O ATOM 1080 CB THR A 73 3.786 -5.800 -3.766 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.674 -5.669 -2.874 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.644 -6.951 -3.289 1.00 0.19 C ATOM 0 H THR A 73 2.698 -3.710 -4.293 1.00 0.14 H new ATOM 0 HA THR A 73 4.979 -4.277 -2.780 1.00 0.16 H new ATOM 0 HB THR A 73 3.468 -6.014 -4.786 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.886 -5.373 -3.375 1.00 0.19 H new ATOM 0 HG21 THR A 73 4.059 -7.871 -3.302 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.506 -7.060 -3.948 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.986 -6.753 -2.273 1.00 0.19 H new ATOM 1090 N LYS A 74 5.531 -4.064 -5.975 1.00 0.15 N ATOM 1091 CA LYS A 74 6.539 -4.083 -7.005 1.00 0.18 C ATOM 1092 C LYS A 74 7.583 -3.012 -6.692 1.00 0.18 C ATOM 1093 O LYS A 74 8.791 -3.246 -6.786 1.00 0.26 O ATOM 1094 CB LYS A 74 5.899 -3.796 -8.364 1.00 0.23 C ATOM 1095 CG LYS A 74 6.560 -4.493 -9.532 1.00 0.39 C ATOM 1096 CD LYS A 74 6.262 -5.991 -9.515 1.00 1.21 C ATOM 1097 CE LYS A 74 4.765 -6.297 -9.744 1.00 1.65 C ATOM 1098 NZ LYS A 74 4.282 -5.797 -11.057 1.00 2.01 N ATOM 0 H LYS A 74 4.636 -3.680 -6.278 1.00 0.15 H new ATOM 0 HA LYS A 74 7.012 -5.064 -7.039 1.00 0.18 H new ATOM 0 HB2 LYS A 74 4.851 -4.093 -8.327 1.00 0.23 H new ATOM 0 HB3 LYS A 74 5.920 -2.721 -8.541 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.206 -4.059 -10.467 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.637 -4.332 -9.494 1.00 0.39 H new ATOM 0 HD2 LYS A 74 6.853 -6.485 -10.286 1.00 1.21 H new ATOM 0 HD3 LYS A 74 6.573 -6.410 -8.558 1.00 1.21 H new ATOM 0 HE2 LYS A 74 4.603 -7.373 -9.686 1.00 1.65 H new ATOM 0 HE3 LYS A 74 4.177 -5.843 -8.946 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 3.335 -6.182 -11.248 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 4.236 -4.758 -11.037 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 4.937 -6.100 -11.806 1.00 2.01 H new ATOM 1112 N TYR A 75 7.102 -1.852 -6.297 1.00 0.15 N ATOM 1113 CA TYR A 75 7.933 -0.740 -5.943 1.00 0.16 C ATOM 1114 C TYR A 75 8.586 -0.965 -4.579 1.00 0.16 C ATOM 1115 O TYR A 75 9.804 -0.851 -4.425 1.00 0.18 O ATOM 1116 CB TYR A 75 7.061 0.519 -5.920 1.00 0.22 C ATOM 1117 CG TYR A 75 7.768 1.772 -5.483 1.00 0.26 C ATOM 1118 CD1 TYR A 75 8.658 2.416 -6.325 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.535 2.315 -4.240 1.00 0.32 C ATOM 1120 CE1 TYR A 75 9.296 3.566 -5.935 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.169 3.464 -3.837 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.088 4.064 -4.672 1.00 0.44 C ATOM 1123 OH TYR A 75 9.680 5.259 -4.293 1.00 0.50 O ATOM 0 H TYR A 75 6.104 -1.661 -6.214 1.00 0.15 H new ATOM 0 HA TYR A 75 8.733 -0.628 -6.674 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.653 0.679 -6.918 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.216 0.345 -5.254 1.00 0.22 H new ATOM 0 HD1 TYR A 75 8.853 2.006 -7.305 1.00 0.49 H new ATOM 0 HD2 TYR A 75 6.841 1.829 -3.570 1.00 0.32 H new ATOM 0 HE1 TYR A 75 9.959 4.077 -6.618 1.00 0.56 H new ATOM 0 HE2 TYR A 75 7.949 3.896 -2.872 1.00 0.37 H new ATOM 0 HH TYR A 75 9.430 5.469 -3.369 1.00 0.50 H new ATOM 1133 N ILE A 76 7.766 -1.315 -3.615 1.00 0.16 N ATOM 1134 CA ILE A 76 8.170 -1.488 -2.236 1.00 0.18 C ATOM 1135 C ILE A 76 9.248 -2.573 -2.074 1.00 0.21 C ATOM 1136 O ILE A 76 10.262 -2.320 -1.465 1.00 0.32 O ATOM 1137 CB ILE A 76 6.932 -1.785 -1.319 1.00 0.18 C ATOM 1138 CG1 ILE A 76 5.937 -0.625 -1.379 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.358 -2.004 0.120 1.00 0.28 C ATOM 1140 CD1 ILE A 76 4.686 -0.831 -0.543 1.00 0.21 C ATOM 0 H ILE A 76 6.774 -1.492 -3.771 1.00 0.16 H new ATOM 0 HA ILE A 76 8.616 -0.546 -1.916 1.00 0.18 H new ATOM 0 HB ILE A 76 6.457 -2.694 -1.687 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.437 0.285 -1.046 1.00 0.20 H new ATOM 0 HG13 ILE A 76 5.644 -0.466 -2.417 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.480 -2.208 0.732 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.041 -2.852 0.172 1.00 0.28 H new ATOM 0 HG23 ILE A 76 7.860 -1.110 0.491 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.035 0.038 -0.642 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.160 -1.721 -0.889 1.00 0.21 H new ATOM 0 HD13 ILE A 76 4.964 -0.958 0.503 1.00 0.21 H new ATOM 1152 N LEU A 77 9.031 -3.761 -2.635 1.00 0.19 N ATOM 1153 CA LEU A 77 9.967 -4.895 -2.461 1.00 0.23 C ATOM 1154 C LEU A 77 11.336 -4.564 -3.083 1.00 0.29 C ATOM 1155 O LEU A 77 12.385 -4.919 -2.553 1.00 0.34 O ATOM 1156 CB LEU A 77 9.358 -6.174 -3.089 1.00 0.23 C ATOM 1157 CG LEU A 77 9.973 -7.547 -2.721 1.00 0.34 C ATOM 1158 CD1 LEU A 77 9.002 -8.646 -3.107 1.00 0.92 C ATOM 1159 CD2 LEU A 77 11.296 -7.791 -3.434 1.00 0.87 C ATOM 0 H LEU A 77 8.219 -3.974 -3.215 1.00 0.19 H new ATOM 0 HA LEU A 77 10.123 -5.073 -1.397 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.302 -6.203 -2.822 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.411 -6.068 -4.173 1.00 0.23 H new ATOM 0 HG LEU A 77 10.161 -7.549 -1.647 1.00 0.34 H new ATOM 0 HD11 LEU A 77 9.429 -9.615 -2.851 1.00 0.92 H new ATOM 0 HD12 LEU A 77 8.064 -8.509 -2.569 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.814 -8.605 -4.180 1.00 0.92 H new ATOM 0 HD21 LEU A 77 11.690 -8.765 -3.146 1.00 0.87 H new ATOM 0 HD22 LEU A 77 11.138 -7.768 -4.512 1.00 0.87 H new ATOM 0 HD23 LEU A 77 12.008 -7.014 -3.155 1.00 0.87 H new ATOM 1171 N ASP A 78 11.306 -3.850 -4.177 1.00 0.33 N ATOM 1172 CA ASP A 78 12.523 -3.477 -4.896 1.00 0.41 C ATOM 1173 C ASP A 78 13.293 -2.393 -4.144 1.00 0.45 C ATOM 1174 O ASP A 78 14.517 -2.360 -4.138 1.00 0.53 O ATOM 1175 CB ASP A 78 12.155 -2.980 -6.292 1.00 0.43 C ATOM 1176 CG ASP A 78 13.351 -2.568 -7.106 1.00 0.52 C ATOM 1177 OD1 ASP A 78 14.053 -3.450 -7.653 1.00 0.68 O ATOM 1178 OD2 ASP A 78 13.607 -1.360 -7.233 1.00 0.54 O ATOM 0 H ASP A 78 10.446 -3.505 -4.604 1.00 0.33 H new ATOM 0 HA ASP A 78 13.164 -4.355 -4.975 1.00 0.41 H new ATOM 0 HB2 ASP A 78 11.616 -3.766 -6.821 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.475 -2.133 -6.202 1.00 0.43 H new ATOM 1183 N HIS A 79 12.555 -1.547 -3.472 1.00 0.41 N ATOM 1184 CA HIS A 79 13.103 -0.400 -2.744 1.00 0.47 C ATOM 1185 C HIS A 79 13.295 -0.693 -1.261 1.00 0.52 C ATOM 1186 O HIS A 79 13.579 0.213 -0.464 1.00 0.74 O ATOM 1187 CB HIS A 79 12.245 0.850 -2.965 1.00 0.47 C ATOM 1188 CG HIS A 79 12.415 1.464 -4.324 1.00 0.52 C ATOM 1189 ND1 HIS A 79 13.004 2.685 -4.531 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.068 1.012 -5.548 1.00 0.53 C ATOM 1191 CE1 HIS A 79 13.013 2.956 -5.814 1.00 0.79 C ATOM 1192 NE2 HIS A 79 12.450 1.954 -6.457 1.00 0.67 N ATOM 0 H HIS A 79 11.540 -1.625 -3.406 1.00 0.41 H new ATOM 0 HA HIS A 79 14.095 -0.204 -3.152 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.196 0.590 -2.822 1.00 0.47 H new ATOM 0 HB3 HIS A 79 12.496 1.592 -2.207 1.00 0.47 H new ATOM 0 HD2 HIS A 79 11.577 0.075 -5.767 1.00 0.53 H new ATOM 0 HE1 HIS A 79 13.415 3.850 -6.267 1.00 0.79 H new ATOM 0 HE2 HIS A 79 12.321 1.893 -7.467 1.00 0.67 H new ATOM 1201 N GLN A 80 13.073 -1.946 -0.899 1.00 0.47 N ATOM 1202 CA GLN A 80 13.203 -2.442 0.471 1.00 0.52 C ATOM 1203 C GLN A 80 14.524 -2.127 1.119 1.00 0.62 C ATOM 1204 O GLN A 80 15.536 -1.879 0.454 1.00 0.89 O ATOM 1205 CB GLN A 80 13.035 -3.943 0.509 1.00 0.64 C ATOM 1206 CG GLN A 80 11.617 -4.413 0.509 1.00 0.53 C ATOM 1207 CD GLN A 80 10.874 -4.016 1.754 1.00 0.58 C ATOM 1208 OE1 GLN A 80 9.612 -3.802 1.612 1.00 1.07 O flip ATOM 1209 NE2 GLN A 80 11.448 -3.890 2.837 1.00 0.53 N flip ATOM 0 H GLN A 80 12.790 -2.668 -1.562 1.00 0.47 H new ATOM 0 HA GLN A 80 12.419 -1.927 1.027 1.00 0.52 H new ATOM 0 HB2 GLN A 80 13.546 -4.374 -0.352 1.00 0.64 H new ATOM 0 HB3 GLN A 80 13.531 -4.328 1.400 1.00 0.64 H new ATOM 0 HG2 GLN A 80 11.103 -4.005 -0.361 1.00 0.53 H new ATOM 0 HG3 GLN A 80 11.598 -5.498 0.410 1.00 0.53 H new ATOM 0 HE21 GLN A 80 12.450 -4.069 2.907 1.00 0.53 H new ATOM 0 HE22 GLN A 80 10.921 -3.607 3.663 1.00 0.53 H new ATOM 1218 N ALA A 81 14.501 -2.154 2.413 1.00 0.73 N ATOM 1219 CA ALA A 81 15.659 -2.011 3.214 1.00 0.89 C ATOM 1220 C ALA A 81 15.552 -3.033 4.322 1.00 1.93 C ATOM 1221 O ALA A 81 14.968 -2.731 5.378 1.00 2.48 O ATOM 1222 CB ALA A 81 15.755 -0.602 3.768 1.00 1.57 C ATOM 1223 OXT ALA A 81 15.971 -4.189 4.114 1.00 2.75 O ATOM 0 H ALA A 81 13.644 -2.281 2.952 1.00 0.73 H new ATOM 0 HA ALA A 81 16.564 -2.177 2.630 1.00 0.89 H new ATOM 0 HB1 ALA A 81 16.652 -0.512 4.381 1.00 1.57 H new ATOM 0 HB2 ALA A 81 15.806 0.110 2.944 1.00 1.57 H new ATOM 0 HB3 ALA A 81 14.876 -0.390 4.377 1.00 1.57 H new TER 1229 ALA A 81 HETATM 1230 P24 SXH A 101 -8.829 9.873 -2.113 1.00 0.86 P HETATM 1231 O26 SXH A 101 -10.133 10.516 -1.825 1.00 1.13 O HETATM 1232 O23 SXH A 101 -8.594 9.361 -3.487 1.00 1.10 O HETATM 1233 O27 SXH A 101 -7.678 10.886 -1.730 1.00 0.87 O HETATM 1234 C28 SXH A 101 -6.246 10.483 -1.857 1.00 0.52 C HETATM 1235 C29 SXH A 101 -5.317 11.697 -1.628 1.00 0.73 C HETATM 1236 C30 SXH A 101 -5.855 12.855 -2.433 1.00 1.22 C HETATM 1237 C31 SXH A 101 -5.331 12.071 -0.147 1.00 1.14 C HETATM 1238 C32 SXH A 101 -3.819 11.355 -2.034 1.00 1.23 C HETATM 1239 O33 SXH A 101 -3.246 10.297 -1.241 1.00 1.96 O HETATM 1240 C34 SXH A 101 -3.640 10.988 -3.481 1.00 1.30 C HETATM 1241 O35 SXH A 101 -4.217 11.550 -4.426 1.00 2.26 O HETATM 1242 N36 SXH A 101 -2.772 10.064 -3.608 1.00 0.83 N HETATM 1243 C37 SXH A 101 -2.295 9.446 -4.854 1.00 1.02 C HETATM 1244 C38 SXH A 101 -3.398 9.195 -5.913 1.00 1.13 C HETATM 1245 C39 SXH A 101 -4.486 8.207 -5.533 1.00 0.88 C HETATM 1246 O40 SXH A 101 -5.541 8.153 -6.169 1.00 1.41 O HETATM 1247 N41 SXH A 101 -4.232 7.435 -4.512 1.00 0.55 N HETATM 1248 C42 SXH A 101 -5.165 6.450 -4.043 1.00 0.93 C HETATM 1249 C43 SXH A 101 -4.486 5.180 -3.635 1.00 0.65 C HETATM 1250 S1 SXH A 101 -3.240 4.778 -4.742 1.00 1.15 S HETATM 1251 C1 SXH A 101 -3.110 3.108 -4.313 1.00 0.81 C HETATM 1252 O1 SXH A 101 -4.074 2.350 -4.239 1.00 1.38 O HETATM 1253 C2 SXH A 101 -1.710 2.641 -3.999 1.00 0.61 C HETATM 1254 C3 SXH A 101 -1.665 1.490 -3.028 1.00 0.46 C HETATM 1255 C4 SXH A 101 -0.269 1.212 -2.505 1.00 0.62 C HETATM 1256 C5 SXH A 101 0.271 2.350 -1.656 1.00 0.60 C HETATM 1257 C6 SXH A 101 1.629 1.977 -1.105 1.00 0.67 C HETATM 0 HO33 SXH A 101 -2.393 10.597 -0.862 1.00 1.96 H new HETATM 0 HN41 SXH A 101 -3.339 7.535 -4.030 1.00 0.55 H new HETATM 0 HN36 SXH A 101 -2.360 9.712 -2.744 1.00 0.83 H new HETATM 0 H43A SXH A 101 -4.069 5.290 -2.634 1.00 0.65 H new HETATM 0 H42A SXH A 101 -5.720 6.852 -3.196 1.00 0.93 H new HETATM 0 H38A SXH A 101 -3.870 10.149 -6.148 1.00 1.13 H new HETATM 0 H37A SXH A 101 -1.529 10.086 -5.291 1.00 1.02 H new HETATM 0 H31B SXH A 101 -6.347 12.327 0.154 1.00 1.14 H new HETATM 0 H31A SXH A 101 -4.979 11.226 0.445 1.00 1.14 H new HETATM 0 H30B SXH A 101 -5.871 12.588 -3.490 1.00 1.22 H new HETATM 0 H30A SXH A 101 -6.867 13.089 -2.103 1.00 1.22 H new HETATM 0 H28A SXH A 101 -6.017 9.701 -1.133 1.00 0.52 H new HETATM 0 H6B SXH A 101 1.539 1.081 -0.491 1.00 0.67 H new HETATM 0 H6A SXH A 101 2.316 1.785 -1.929 1.00 0.67 H new HETATM 0 H6 SXH A 101 2.012 2.796 -0.497 1.00 0.67 H new HETATM 0 H5A SXH A 101 0.348 3.258 -2.254 1.00 0.60 H new HETATM 0 H5 SXH A 101 -0.417 2.564 -0.838 1.00 0.60 H new HETATM 0 H4A SXH A 101 -0.282 0.296 -1.914 1.00 0.62 H new HETATM 0 H43 SXH A 101 -5.214 4.370 -3.590 1.00 0.65 H new HETATM 0 H42 SXH A 101 -5.891 6.237 -4.828 1.00 0.93 H new HETATM 0 H4 SXH A 101 0.403 1.040 -3.346 1.00 0.62 H new HETATM 0 H3A SXH A 101 -2.326 1.704 -2.188 1.00 0.46 H new HETATM 0 H38 SXH A 101 -2.920 8.842 -6.827 1.00 1.13 H new HETATM 0 H37 SXH A 101 -1.818 8.496 -4.613 1.00 1.02 H new HETATM 0 H32 SXH A 101 -3.296 12.292 -1.842 1.00 1.23 H new HETATM 0 H31 SXH A 101 -4.677 12.927 0.018 1.00 1.14 H new HETATM 0 H30 SXH A 101 -5.216 13.726 -2.289 1.00 1.22 H new HETATM 0 H3 SXH A 101 -2.049 0.594 -3.516 1.00 0.46 H new HETATM 0 H2A SXH A 101 -1.218 2.344 -4.925 1.00 0.61 H new HETATM 0 H28 SXH A 101 -6.067 10.063 -2.847 1.00 0.52 H new HETATM 0 H2 SXH A 101 -1.141 3.475 -3.589 1.00 0.61 H new