USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=15 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+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00761 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.617 F(o=-2.4,f=-0.62) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.19 F(o=-2.1,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 1.12 (180deg=0.0517) USER MOD Single : A 31 SER OG : rot 44:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.116 USER MOD Single : A 42 SER OG : rot -126:sc= 1.22 USER MOD Single : A 43 MET CE :methyl -145:sc= -3.91! (180deg=-6.07!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.875 K(o=0.88,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= -0.0846 (180deg=-0.813) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 73 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 0.861 (180deg=0.771) 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=-0.15) USER MOD Single : A 80 GLN : amide:sc= -4.43! C(o=-4.4!,f=-8.2!) USER MOD Single : A 101 SXH O33 : rot -127:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.628 -6.597 4.560 1.00 1.43 N ATOM 2 CA ALA A 1 13.253 -6.847 3.180 1.00 0.89 C ATOM 3 C ALA A 1 12.043 -7.761 3.096 1.00 0.84 C ATOM 4 O ALA A 1 12.160 -8.993 3.199 1.00 1.31 O ATOM 5 CB ALA A 1 14.411 -7.441 2.403 1.00 1.02 C ATOM 0 H1 ALA A 1 14.467 -5.984 4.586 1.00 1.43 H new ATOM 0 H2 ALA A 1 12.842 -6.129 5.054 1.00 1.43 H new ATOM 0 H3 ALA A 1 13.844 -7.499 5.030 1.00 1.43 H new ATOM 0 HA ALA A 1 12.990 -5.888 2.733 1.00 0.89 H new ATOM 0 HB1 ALA A 1 14.104 -7.619 1.372 1.00 1.02 H new ATOM 0 HB2 ALA A 1 15.252 -6.748 2.417 1.00 1.02 H new ATOM 0 HB3 ALA A 1 14.710 -8.384 2.860 1.00 1.02 H new ATOM 13 N ALA A 2 10.880 -7.157 2.948 1.00 0.70 N ATOM 14 CA ALA A 2 9.635 -7.881 2.765 1.00 0.62 C ATOM 15 C ALA A 2 9.539 -8.397 1.336 1.00 0.65 C ATOM 16 O ALA A 2 10.314 -7.987 0.472 1.00 0.87 O ATOM 17 CB ALA A 2 8.457 -6.986 3.082 1.00 0.59 C ATOM 0 H ALA A 2 10.771 -6.143 2.951 1.00 0.70 H new ATOM 0 HA ALA A 2 9.617 -8.731 3.447 1.00 0.62 H new ATOM 0 HB1 ALA A 2 7.530 -7.541 2.941 1.00 0.59 H new ATOM 0 HB2 ALA A 2 8.524 -6.649 4.116 1.00 0.59 H new ATOM 0 HB3 ALA A 2 8.467 -6.122 2.418 1.00 0.59 H new ATOM 23 N THR A 3 8.577 -9.241 1.074 1.00 0.51 N ATOM 24 CA THR A 3 8.458 -9.871 -0.210 1.00 0.54 C ATOM 25 C THR A 3 7.089 -9.562 -0.785 1.00 0.42 C ATOM 26 O THR A 3 6.420 -8.662 -0.273 1.00 0.37 O ATOM 27 CB THR A 3 8.663 -11.384 -0.076 1.00 0.64 C ATOM 28 OG1 THR A 3 7.798 -11.860 0.948 1.00 0.63 O ATOM 29 CG2 THR A 3 10.092 -11.714 0.294 1.00 0.82 C ATOM 0 H THR A 3 7.856 -9.510 1.744 1.00 0.51 H new ATOM 0 HA THR A 3 9.224 -9.486 -0.883 1.00 0.54 H new ATOM 0 HB THR A 3 8.442 -11.858 -1.032 1.00 0.64 H new ATOM 0 HG1 THR A 3 7.912 -12.828 1.049 1.00 0.63 H new ATOM 0 HG21 THR A 3 10.205 -12.795 0.381 1.00 0.82 H new ATOM 0 HG22 THR A 3 10.764 -11.340 -0.479 1.00 0.82 H new ATOM 0 HG23 THR A 3 10.339 -11.245 1.247 1.00 0.82 H new ATOM 37 N GLN A 4 6.637 -10.324 -1.779 1.00 0.44 N ATOM 38 CA GLN A 4 5.366 -10.042 -2.430 1.00 0.42 C ATOM 39 C GLN A 4 4.225 -10.115 -1.442 1.00 0.38 C ATOM 40 O GLN A 4 3.549 -9.128 -1.222 1.00 0.38 O ATOM 41 CB GLN A 4 5.148 -10.976 -3.656 1.00 0.52 C ATOM 42 CG GLN A 4 3.912 -10.690 -4.546 1.00 0.66 C ATOM 43 CD GLN A 4 2.602 -11.309 -4.057 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.849 -10.579 -3.284 1.00 1.24 O flip ATOM 45 NE2 GLN A 4 2.270 -12.440 -4.420 1.00 0.63 N flip ATOM 0 H GLN A 4 7.131 -11.137 -2.147 1.00 0.44 H new ATOM 0 HA GLN A 4 5.393 -9.021 -2.810 1.00 0.42 H new ATOM 0 HB2 GLN A 4 6.037 -10.924 -4.284 1.00 0.52 H new ATOM 0 HB3 GLN A 4 5.074 -12.001 -3.292 1.00 0.52 H new ATOM 0 HG2 GLN A 4 3.780 -9.611 -4.621 1.00 0.66 H new ATOM 0 HG3 GLN A 4 4.116 -11.057 -5.552 1.00 0.66 H new ATOM 0 HE21 GLN A 4 2.886 -12.982 -5.026 1.00 0.63 H new ATOM 0 HE22 GLN A 4 1.380 -12.833 -4.114 1.00 0.63 H new ATOM 54 N GLU A 5 4.068 -11.237 -0.782 1.00 0.40 N ATOM 55 CA GLU A 5 2.941 -11.409 0.125 1.00 0.46 C ATOM 56 C GLU A 5 3.151 -10.637 1.416 1.00 0.37 C ATOM 57 O GLU A 5 2.199 -10.204 2.052 1.00 0.37 O ATOM 58 CB GLU A 5 2.697 -12.882 0.405 1.00 0.63 C ATOM 59 CG GLU A 5 2.392 -13.682 -0.844 1.00 1.35 C ATOM 60 CD GLU A 5 2.222 -15.143 -0.560 1.00 1.79 C ATOM 61 OE1 GLU A 5 3.224 -15.837 -0.298 1.00 2.43 O ATOM 62 OE2 GLU A 5 1.072 -15.628 -0.554 1.00 2.08 O ATOM 0 H GLU A 5 4.693 -12.040 -0.849 1.00 0.40 H new ATOM 0 HA GLU A 5 2.054 -11.004 -0.361 1.00 0.46 H new ATOM 0 HB2 GLU A 5 3.576 -13.303 0.893 1.00 0.63 H new ATOM 0 HB3 GLU A 5 1.866 -12.980 1.104 1.00 0.63 H new ATOM 0 HG2 GLU A 5 1.483 -13.296 -1.306 1.00 1.35 H new ATOM 0 HG3 GLU A 5 3.198 -13.546 -1.565 1.00 1.35 H new ATOM 69 N GLU A 6 4.403 -10.425 1.765 1.00 0.36 N ATOM 70 CA GLU A 6 4.743 -9.707 2.974 1.00 0.37 C ATOM 71 C GLU A 6 4.394 -8.239 2.892 1.00 0.29 C ATOM 72 O GLU A 6 3.789 -7.695 3.822 1.00 0.31 O ATOM 73 CB GLU A 6 6.186 -9.947 3.378 1.00 0.46 C ATOM 74 CG GLU A 6 6.360 -11.142 4.306 1.00 0.67 C ATOM 75 CD GLU A 6 5.547 -12.351 3.895 1.00 1.38 C ATOM 76 OE1 GLU A 6 5.900 -12.997 2.893 1.00 2.07 O ATOM 77 OE2 GLU A 6 4.541 -12.671 4.553 1.00 1.91 O ATOM 0 H GLU A 6 5.207 -10.743 1.223 1.00 0.36 H new ATOM 0 HA GLU A 6 4.122 -10.113 3.773 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.786 -10.101 2.481 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.572 -9.054 3.870 1.00 0.46 H new ATOM 0 HG2 GLU A 6 7.414 -11.417 4.337 1.00 0.67 H new ATOM 0 HG3 GLU A 6 6.077 -10.851 5.317 1.00 0.67 H new ATOM 84 N ILE A 7 4.760 -7.582 1.792 1.00 0.24 N ATOM 85 CA ILE A 7 4.341 -6.216 1.583 1.00 0.19 C ATOM 86 C ILE A 7 2.823 -6.155 1.552 1.00 0.17 C ATOM 87 O ILE A 7 2.223 -5.346 2.256 1.00 0.20 O ATOM 88 CB ILE A 7 4.920 -5.678 0.279 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.433 -5.693 0.382 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.410 -4.267 -0.004 1.00 0.19 C ATOM 91 CD1 ILE A 7 7.118 -5.351 -0.890 1.00 0.25 C ATOM 0 H ILE A 7 5.337 -7.975 1.048 1.00 0.24 H new ATOM 0 HA ILE A 7 4.709 -5.597 2.401 1.00 0.19 H new ATOM 0 HB ILE A 7 4.601 -6.309 -0.550 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.743 -4.988 1.153 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.757 -6.682 0.705 1.00 0.23 H new ATOM 0 HG21 ILE A 7 4.838 -3.906 -0.939 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.323 -4.282 -0.084 1.00 0.19 H new ATOM 0 HG23 ILE A 7 4.705 -3.604 0.809 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.197 -5.381 -0.742 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.837 -6.070 -1.659 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.823 -4.350 -1.204 1.00 0.25 H new ATOM 103 N VAL A 8 2.229 -7.045 0.774 1.00 0.15 N ATOM 104 CA VAL A 8 0.761 -7.120 0.631 1.00 0.15 C ATOM 105 C VAL A 8 0.066 -7.196 1.998 1.00 0.17 C ATOM 106 O VAL A 8 -0.745 -6.329 2.330 1.00 0.19 O ATOM 107 CB VAL A 8 0.337 -8.333 -0.254 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.166 -8.534 -0.238 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.777 -8.107 -1.676 1.00 0.18 C ATOM 0 H VAL A 8 2.735 -7.737 0.222 1.00 0.15 H new ATOM 0 HA VAL A 8 0.443 -6.203 0.135 1.00 0.15 H new ATOM 0 HB VAL A 8 0.815 -9.223 0.156 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.426 -9.387 -0.865 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.497 -8.720 0.784 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.657 -7.639 -0.621 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.478 -8.957 -2.289 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.311 -7.200 -2.061 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.861 -8.000 -1.709 1.00 0.18 H new ATOM 119 N ALA A 9 0.400 -8.212 2.785 1.00 0.19 N ATOM 120 CA ALA A 9 -0.215 -8.429 4.094 1.00 0.22 C ATOM 121 C ALA A 9 0.025 -7.250 5.045 1.00 0.18 C ATOM 122 O ALA A 9 -0.846 -6.915 5.855 1.00 0.20 O ATOM 123 CB ALA A 9 0.299 -9.723 4.708 1.00 0.28 C ATOM 0 H ALA A 9 1.103 -8.908 2.537 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.292 -8.508 3.943 1.00 0.22 H new ATOM 0 HB1 ALA A 9 -0.166 -9.873 5.682 1.00 0.28 H new ATOM 0 HB2 ALA A 9 0.051 -10.559 4.055 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.381 -9.664 4.828 1.00 0.28 H new ATOM 129 N GLY A 10 1.169 -6.599 4.896 1.00 0.17 N ATOM 130 CA GLY A 10 1.535 -5.501 5.740 1.00 0.17 C ATOM 131 C GLY A 10 0.729 -4.287 5.408 1.00 0.15 C ATOM 132 O GLY A 10 0.235 -3.617 6.290 1.00 0.18 O ATOM 0 H GLY A 10 1.861 -6.827 4.183 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.380 -5.772 6.784 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.596 -5.283 5.621 1.00 0.17 H new ATOM 136 N LEU A 11 0.584 -4.016 4.122 1.00 0.14 N ATOM 137 CA LEU A 11 -0.244 -2.911 3.659 1.00 0.14 C ATOM 138 C LEU A 11 -1.662 -3.173 4.071 1.00 0.13 C ATOM 139 O LEU A 11 -2.322 -2.309 4.635 1.00 0.15 O ATOM 140 CB LEU A 11 -0.203 -2.789 2.130 1.00 0.14 C ATOM 141 CG LEU A 11 1.160 -2.574 1.488 1.00 0.18 C ATOM 142 CD1 LEU A 11 1.027 -2.504 -0.025 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.809 -1.322 2.027 1.00 0.26 C ATOM 0 H LEU A 11 1.031 -4.548 3.375 1.00 0.14 H new ATOM 0 HA LEU A 11 0.135 -1.987 4.096 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.637 -3.695 1.707 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -0.848 -1.960 1.839 1.00 0.14 H new ATOM 0 HG LEU A 11 1.799 -3.421 1.738 1.00 0.18 H new ATOM 0 HD11 LEU A 11 2.010 -2.350 -0.470 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.603 -3.437 -0.396 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.373 -1.675 -0.295 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.783 -1.185 1.556 1.00 0.26 H new ATOM 0 HD22 LEU A 11 1.176 -0.462 1.809 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.937 -1.414 3.105 1.00 0.26 H new ATOM 155 N ALA A 12 -2.095 -4.398 3.824 1.00 0.12 N ATOM 156 CA ALA A 12 -3.433 -4.833 4.108 1.00 0.13 C ATOM 157 C ALA A 12 -3.815 -4.614 5.534 1.00 0.13 C ATOM 158 O ALA A 12 -4.841 -4.036 5.780 1.00 0.15 O ATOM 159 CB ALA A 12 -3.626 -6.271 3.756 1.00 0.14 C ATOM 0 H ALA A 12 -1.508 -5.124 3.413 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.085 -4.221 3.486 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.650 -6.567 3.984 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.435 -6.414 2.692 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.934 -6.883 4.334 1.00 0.14 H new ATOM 165 N GLU A 13 -2.978 -5.043 6.479 1.00 0.13 N ATOM 166 CA GLU A 13 -3.308 -4.893 7.897 1.00 0.18 C ATOM 167 C GLU A 13 -3.487 -3.435 8.288 1.00 0.18 C ATOM 168 O GLU A 13 -4.259 -3.119 9.183 1.00 0.27 O ATOM 169 CB GLU A 13 -2.333 -5.637 8.818 1.00 0.27 C ATOM 170 CG GLU A 13 -0.887 -5.240 8.665 1.00 0.28 C ATOM 171 CD GLU A 13 0.024 -6.021 9.560 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.375 -7.184 9.208 1.00 0.76 O ATOM 173 OE2 GLU A 13 0.420 -5.505 10.627 1.00 0.66 O ATOM 0 H GLU A 13 -2.080 -5.490 6.293 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.274 -5.376 8.041 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.633 -5.469 9.852 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.423 -6.707 8.630 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.583 -5.384 7.628 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -0.781 -4.177 8.883 1.00 0.28 H new ATOM 180 N ILE A 14 -2.818 -2.562 7.582 1.00 0.13 N ATOM 181 CA ILE A 14 -2.993 -1.131 7.792 1.00 0.13 C ATOM 182 C ILE A 14 -4.370 -0.708 7.204 1.00 0.13 C ATOM 183 O ILE A 14 -5.196 -0.077 7.885 1.00 0.17 O ATOM 184 CB ILE A 14 -1.871 -0.359 7.092 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.522 -0.896 7.545 1.00 0.19 C ATOM 186 CG2 ILE A 14 -1.977 1.110 7.465 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.621 -0.472 6.663 1.00 0.25 C ATOM 0 H ILE A 14 -2.145 -2.806 6.855 1.00 0.13 H new ATOM 0 HA ILE A 14 -2.958 -0.906 8.858 1.00 0.13 H new ATOM 0 HB ILE A 14 -1.962 -0.477 6.012 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.329 -0.558 8.563 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.564 -1.985 7.573 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.182 1.669 6.971 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -2.945 1.497 7.146 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -1.880 1.219 8.545 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.551 -0.891 7.046 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.451 -0.833 5.649 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.690 0.616 6.654 1.00 0.25 H new ATOM 199 N VAL A 15 -4.587 -1.058 5.931 1.00 0.10 N ATOM 200 CA VAL A 15 -5.845 -0.841 5.204 1.00 0.11 C ATOM 201 C VAL A 15 -7.030 -1.382 6.012 1.00 0.12 C ATOM 202 O VAL A 15 -8.072 -0.750 6.062 1.00 0.17 O ATOM 203 CB VAL A 15 -5.800 -1.566 3.834 1.00 0.12 C ATOM 204 CG1 VAL A 15 -7.053 -1.297 3.019 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.595 -1.136 3.058 1.00 0.15 C ATOM 0 H VAL A 15 -3.873 -1.513 5.362 1.00 0.10 H new ATOM 0 HA VAL A 15 -5.969 0.231 5.051 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.744 -2.637 4.031 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -6.986 -1.821 2.066 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -7.926 -1.651 3.567 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.147 -0.226 2.839 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.577 -1.653 2.099 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.636 -0.060 2.890 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.694 -1.381 3.620 1.00 0.15 H new ATOM 215 N ASN A 16 -6.840 -2.548 6.637 1.00 0.11 N ATOM 216 CA ASN A 16 -7.848 -3.198 7.516 1.00 0.15 C ATOM 217 C ASN A 16 -8.395 -2.213 8.533 1.00 0.19 C ATOM 218 O ASN A 16 -9.604 -2.105 8.726 1.00 0.27 O ATOM 219 CB ASN A 16 -7.239 -4.394 8.307 1.00 0.18 C ATOM 220 CG ASN A 16 -7.108 -5.739 7.574 1.00 0.32 C ATOM 221 OD1 ASN A 16 -6.906 -5.727 6.299 1.00 0.85 O flip ATOM 222 ND2 ASN A 16 -7.174 -6.799 8.197 1.00 0.15 N flip ATOM 0 H ASN A 16 -5.975 -3.083 6.553 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.641 -3.555 6.859 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.247 -4.100 8.649 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -7.849 -4.554 9.196 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -7.334 -6.789 9.204 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -7.068 -7.687 7.706 1.00 0.15 H new ATOM 229 N GLU A 17 -7.506 -1.462 9.144 1.00 0.21 N ATOM 230 CA GLU A 17 -7.886 -0.548 10.191 1.00 0.29 C ATOM 231 C GLU A 17 -8.511 0.733 9.667 1.00 0.27 C ATOM 232 O GLU A 17 -9.512 1.200 10.216 1.00 0.39 O ATOM 233 CB GLU A 17 -6.707 -0.219 11.090 1.00 0.40 C ATOM 234 CG GLU A 17 -6.124 -1.419 11.795 1.00 0.51 C ATOM 235 CD GLU A 17 -5.052 -1.032 12.770 1.00 1.42 C ATOM 236 OE1 GLU A 17 -5.375 -0.736 13.935 1.00 1.56 O ATOM 237 OE2 GLU A 17 -3.866 -1.011 12.400 1.00 2.35 O ATOM 0 H GLU A 17 -6.509 -1.469 8.930 1.00 0.21 H new ATOM 0 HA GLU A 17 -8.649 -1.065 10.773 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -5.927 0.254 10.492 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -7.023 0.510 11.836 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -6.917 -1.951 12.320 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -5.712 -2.108 11.058 1.00 0.51 H new ATOM 244 N ILE A 18 -7.968 1.301 8.605 1.00 0.21 N ATOM 245 CA ILE A 18 -8.487 2.597 8.177 1.00 0.22 C ATOM 246 C ILE A 18 -9.594 2.441 7.125 1.00 0.23 C ATOM 247 O ILE A 18 -10.690 2.932 7.316 1.00 0.28 O ATOM 248 CB ILE A 18 -7.399 3.474 7.547 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.046 3.307 8.218 1.00 0.24 C ATOM 250 CG2 ILE A 18 -7.828 4.930 7.687 1.00 0.28 C ATOM 251 CD1 ILE A 18 -4.948 3.976 7.446 1.00 0.27 C ATOM 0 H ILE A 18 -7.208 0.915 8.045 1.00 0.21 H new ATOM 0 HA ILE A 18 -8.874 3.067 9.081 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.288 3.173 6.505 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.087 3.724 9.224 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -5.821 2.245 8.321 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.070 5.577 7.246 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -8.777 5.081 7.173 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -7.944 5.175 8.743 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -3.999 3.831 7.963 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -4.888 3.542 6.448 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.158 5.043 7.365 1.00 0.27 H new ATOM 263 N ALA A 19 -9.311 1.736 6.026 1.00 0.21 N ATOM 264 CA ALA A 19 -10.320 1.577 4.959 1.00 0.26 C ATOM 265 C ALA A 19 -11.292 0.485 5.299 1.00 0.26 C ATOM 266 O ALA A 19 -12.470 0.571 4.997 1.00 0.44 O ATOM 267 CB ALA A 19 -9.678 1.285 3.607 1.00 0.28 C ATOM 0 H ALA A 19 -8.419 1.275 5.848 1.00 0.21 H new ATOM 0 HA ALA A 19 -10.853 2.525 4.886 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.456 1.175 2.851 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.018 2.108 3.332 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.101 0.363 3.670 1.00 0.28 H new ATOM 273 N GLY A 20 -10.789 -0.540 5.923 1.00 0.18 N ATOM 274 CA GLY A 20 -11.616 -1.641 6.277 1.00 0.22 C ATOM 275 C GLY A 20 -11.573 -2.735 5.247 1.00 0.18 C ATOM 276 O GLY A 20 -12.410 -3.638 5.277 1.00 0.27 O ATOM 0 H GLY A 20 -9.810 -0.630 6.194 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.297 -2.038 7.241 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.643 -1.298 6.398 1.00 0.22 H new ATOM 280 N ILE A 21 -10.595 -2.668 4.324 1.00 0.14 N ATOM 281 CA ILE A 21 -10.454 -3.697 3.337 1.00 0.15 C ATOM 282 C ILE A 21 -9.760 -4.850 3.988 1.00 0.16 C ATOM 283 O ILE A 21 -8.657 -4.666 4.508 1.00 0.17 O ATOM 284 CB ILE A 21 -9.611 -3.238 2.137 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.302 -2.067 1.455 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.413 -4.395 1.163 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.725 -2.376 1.070 1.00 0.25 C ATOM 0 H ILE A 21 -9.911 -1.914 4.260 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.444 -3.963 2.965 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.629 -2.915 2.481 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.289 -1.205 2.122 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.741 -1.789 0.563 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.814 -4.059 0.316 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.900 -5.213 1.669 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.383 -4.741 0.807 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -12.169 -1.505 0.588 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.740 -3.220 0.380 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.297 -2.627 1.963 1.00 0.25 H new ATOM 299 N PRO A 22 -10.381 -6.032 4.001 1.00 0.21 N ATOM 300 CA PRO A 22 -9.827 -7.198 4.656 1.00 0.24 C ATOM 301 C PRO A 22 -8.503 -7.626 4.050 1.00 0.21 C ATOM 302 O PRO A 22 -8.209 -7.364 2.865 1.00 0.21 O ATOM 303 CB PRO A 22 -10.876 -8.285 4.436 1.00 0.33 C ATOM 304 CG PRO A 22 -12.112 -7.563 4.084 1.00 0.33 C ATOM 305 CD PRO A 22 -11.677 -6.331 3.367 1.00 0.25 C ATOM 0 HA PRO A 22 -9.619 -6.999 5.707 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.577 -8.966 3.639 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -11.014 -8.887 5.334 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.755 -8.176 3.452 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.686 -7.313 4.976 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.575 -6.500 2.295 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.389 -5.515 3.494 1.00 0.25 H new ATOM 313 N VAL A 23 -7.729 -8.336 4.838 1.00 0.24 N ATOM 314 CA VAL A 23 -6.420 -8.797 4.431 1.00 0.29 C ATOM 315 C VAL A 23 -6.578 -9.927 3.401 1.00 0.35 C ATOM 316 O VAL A 23 -5.660 -10.264 2.663 1.00 0.51 O ATOM 317 CB VAL A 23 -5.588 -9.272 5.660 1.00 0.37 C ATOM 318 CG1 VAL A 23 -6.186 -10.519 6.288 1.00 0.84 C ATOM 319 CG2 VAL A 23 -4.119 -9.464 5.319 1.00 0.90 C ATOM 0 H VAL A 23 -7.990 -8.612 5.785 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.877 -7.971 3.973 1.00 0.29 H new ATOM 0 HB VAL A 23 -5.636 -8.476 6.403 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -5.581 -10.822 7.142 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -7.202 -10.307 6.620 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -6.205 -11.323 5.553 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -3.580 -9.795 6.206 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -4.023 -10.215 4.535 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -3.700 -8.520 4.971 1.00 0.90 H new ATOM 329 N GLU A 24 -7.786 -10.454 3.338 1.00 0.37 N ATOM 330 CA GLU A 24 -8.158 -11.468 2.403 1.00 0.54 C ATOM 331 C GLU A 24 -8.392 -10.839 1.041 1.00 0.40 C ATOM 332 O GLU A 24 -8.165 -11.460 -0.004 1.00 0.46 O ATOM 333 CB GLU A 24 -9.458 -12.106 2.864 1.00 0.87 C ATOM 334 CG GLU A 24 -9.965 -13.192 1.949 1.00 1.32 C ATOM 335 CD GLU A 24 -11.400 -13.546 2.207 1.00 2.07 C ATOM 336 OE1 GLU A 24 -11.674 -14.308 3.178 1.00 2.34 O ATOM 337 OE2 GLU A 24 -12.280 -13.085 1.464 1.00 2.99 O ATOM 0 H GLU A 24 -8.547 -10.173 3.957 1.00 0.37 H new ATOM 0 HA GLU A 24 -7.365 -12.213 2.339 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -9.313 -12.523 3.861 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -10.221 -11.332 2.950 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -9.856 -12.869 0.914 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -9.348 -14.082 2.072 1.00 1.32 H new ATOM 344 N ASP A 25 -8.830 -9.606 1.044 1.00 0.30 N ATOM 345 CA ASP A 25 -9.212 -8.991 -0.182 1.00 0.25 C ATOM 346 C ASP A 25 -8.048 -8.274 -0.832 1.00 0.20 C ATOM 347 O ASP A 25 -7.919 -8.293 -2.061 1.00 0.20 O ATOM 348 CB ASP A 25 -10.423 -8.096 -0.003 1.00 0.31 C ATOM 349 CG ASP A 25 -11.086 -7.810 -1.323 1.00 0.42 C ATOM 350 OD1 ASP A 25 -11.134 -8.731 -2.170 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.614 -6.711 -1.531 1.00 0.53 O ATOM 0 H ASP A 25 -8.927 -9.022 1.875 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.511 -9.782 -0.870 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -11.136 -8.574 0.669 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -10.121 -7.160 0.466 1.00 0.31 H new ATOM 356 N VAL A 26 -7.196 -7.641 -0.009 1.00 0.18 N ATOM 357 CA VAL A 26 -5.959 -7.015 -0.488 1.00 0.16 C ATOM 358 C VAL A 26 -5.034 -8.066 -1.102 1.00 0.16 C ATOM 359 O VAL A 26 -4.393 -8.854 -0.392 1.00 0.19 O ATOM 360 CB VAL A 26 -5.203 -6.291 0.661 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.827 -5.796 0.193 1.00 0.16 C ATOM 362 CG2 VAL A 26 -6.020 -5.125 1.185 1.00 0.18 C ATOM 0 H VAL A 26 -7.345 -7.551 0.996 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.240 -6.279 -1.241 1.00 0.16 H new ATOM 0 HB VAL A 26 -5.055 -7.011 1.466 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.321 -5.294 1.018 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.228 -6.645 -0.137 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -3.954 -5.098 -0.634 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.474 -4.631 1.989 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.200 -4.415 0.378 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.974 -5.491 1.565 1.00 0.18 H new ATOM 372 N LYS A 27 -5.049 -8.120 -2.398 1.00 0.21 N ATOM 373 CA LYS A 27 -4.233 -9.019 -3.165 1.00 0.25 C ATOM 374 C LYS A 27 -3.514 -8.214 -4.242 1.00 0.44 C ATOM 375 O LYS A 27 -3.903 -7.091 -4.517 1.00 1.20 O ATOM 376 CB LYS A 27 -5.104 -10.134 -3.757 1.00 0.26 C ATOM 377 CG LYS A 27 -5.698 -11.071 -2.712 1.00 0.36 C ATOM 378 CD LYS A 27 -4.609 -11.896 -2.044 1.00 1.43 C ATOM 379 CE LYS A 27 -5.145 -12.693 -0.875 1.00 1.66 C ATOM 380 NZ LYS A 27 -4.124 -13.623 -0.339 1.00 2.03 N ATOM 0 H LYS A 27 -5.646 -7.524 -2.971 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.484 -9.500 -2.536 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.914 -9.684 -4.330 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.505 -10.718 -4.456 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -6.234 -10.491 -1.960 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.425 -11.733 -3.182 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -4.167 -12.574 -2.774 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -3.813 -11.236 -1.699 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -5.469 -12.013 -0.087 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -6.023 -13.257 -1.190 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -4.524 -14.154 0.461 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -3.834 -14.287 -1.085 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -3.297 -13.082 -0.016 1.00 2.03 H new ATOM 394 N LEU A 28 -2.529 -8.799 -4.863 1.00 0.34 N ATOM 395 CA LEU A 28 -1.631 -8.167 -5.790 1.00 0.34 C ATOM 396 C LEU A 28 -2.360 -7.436 -6.963 1.00 0.32 C ATOM 397 O LEU A 28 -1.953 -6.353 -7.386 1.00 0.46 O ATOM 398 CB LEU A 28 -0.748 -9.289 -6.327 1.00 0.56 C ATOM 399 CG LEU A 28 0.274 -8.906 -7.331 1.00 0.58 C ATOM 400 CD1 LEU A 28 1.618 -8.631 -6.679 1.00 1.20 C ATOM 401 CD2 LEU A 28 0.373 -9.916 -8.451 1.00 1.12 C ATOM 0 H LEU A 28 -2.319 -9.788 -4.728 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.065 -7.385 -5.284 1.00 0.34 H new ATOM 0 HB2 LEU A 28 -0.239 -9.756 -5.484 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -1.393 -10.048 -6.770 1.00 0.56 H new ATOM 0 HG LEU A 28 -0.053 -7.972 -7.788 1.00 0.58 H new ATOM 0 HD11 LEU A 28 2.343 -8.353 -7.444 1.00 1.20 H new ATOM 0 HD12 LEU A 28 1.515 -7.816 -5.963 1.00 1.20 H new ATOM 0 HD13 LEU A 28 1.961 -9.527 -6.162 1.00 1.20 H new ATOM 0 HD21 LEU A 28 1.133 -9.596 -9.163 1.00 1.12 H new ATOM 0 HD22 LEU A 28 0.646 -10.888 -8.041 1.00 1.12 H new ATOM 0 HD23 LEU A 28 -0.589 -9.993 -8.957 1.00 1.12 H new ATOM 413 N ASP A 29 -3.449 -7.989 -7.407 1.00 0.34 N ATOM 414 CA ASP A 29 -4.191 -7.523 -8.573 1.00 0.46 C ATOM 415 C ASP A 29 -5.207 -6.468 -8.182 1.00 0.34 C ATOM 416 O ASP A 29 -5.872 -5.871 -9.027 1.00 0.56 O ATOM 417 CB ASP A 29 -4.890 -8.759 -9.196 1.00 0.79 C ATOM 418 CG ASP A 29 -5.941 -8.479 -10.256 1.00 1.41 C ATOM 419 OD1 ASP A 29 -5.589 -8.211 -11.421 1.00 1.85 O ATOM 420 OD2 ASP A 29 -7.155 -8.582 -9.949 1.00 2.12 O ATOM 0 H ASP A 29 -3.871 -8.805 -6.963 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.517 -7.060 -9.294 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -4.125 -9.399 -9.635 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -5.358 -9.327 -8.393 1.00 0.79 H new ATOM 425 N LYS A 30 -5.269 -6.160 -6.914 1.00 0.26 N ATOM 426 CA LYS A 30 -6.320 -5.361 -6.445 1.00 0.21 C ATOM 427 C LYS A 30 -5.915 -3.930 -6.384 1.00 0.22 C ATOM 428 O LYS A 30 -4.989 -3.553 -5.671 1.00 0.32 O ATOM 429 CB LYS A 30 -6.795 -5.814 -5.078 1.00 0.23 C ATOM 430 CG LYS A 30 -7.110 -7.285 -4.930 1.00 0.43 C ATOM 431 CD LYS A 30 -7.913 -7.849 -6.081 1.00 0.61 C ATOM 432 CE LYS A 30 -8.693 -9.070 -5.654 1.00 0.66 C ATOM 433 NZ LYS A 30 -9.707 -8.707 -4.636 1.00 1.38 N ATOM 0 H LYS A 30 -4.598 -6.458 -6.206 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.144 -5.468 -7.151 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -6.030 -5.553 -4.347 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.689 -5.246 -4.821 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -6.177 -7.841 -4.842 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -7.662 -7.439 -4.003 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -8.598 -7.089 -6.457 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -7.244 -8.109 -6.902 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -9.182 -9.518 -6.519 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -8.014 -9.820 -5.248 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -10.484 -9.398 -4.658 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -9.268 -8.708 -3.693 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -10.082 -7.759 -4.842 1.00 1.38 H new ATOM 447 N SER A 31 -6.535 -3.166 -7.166 1.00 0.20 N ATOM 448 CA SER A 31 -6.394 -1.755 -7.093 1.00 0.21 C ATOM 449 C SER A 31 -7.199 -1.285 -5.895 1.00 0.19 C ATOM 450 O SER A 31 -8.410 -1.383 -5.890 1.00 0.21 O ATOM 451 CB SER A 31 -6.884 -1.077 -8.386 1.00 0.26 C ATOM 452 OG SER A 31 -6.641 0.328 -8.360 1.00 1.23 O ATOM 0 H SER A 31 -7.171 -3.490 -7.895 1.00 0.20 H new ATOM 0 HA SER A 31 -5.344 -1.485 -6.980 1.00 0.21 H new ATOM 0 HB2 SER A 31 -6.379 -1.519 -9.245 1.00 0.26 H new ATOM 0 HB3 SER A 31 -7.951 -1.261 -8.514 1.00 0.26 H new ATOM 0 HG SER A 31 -5.741 0.498 -8.011 1.00 1.23 H new ATOM 458 N PHE A 32 -6.505 -0.916 -4.847 1.00 0.21 N ATOM 459 CA PHE A 32 -7.121 -0.353 -3.622 1.00 0.20 C ATOM 460 C PHE A 32 -8.327 0.574 -3.889 1.00 0.23 C ATOM 461 O PHE A 32 -9.451 0.286 -3.461 1.00 0.28 O ATOM 462 CB PHE A 32 -6.099 0.421 -2.826 1.00 0.21 C ATOM 463 CG PHE A 32 -5.119 -0.410 -2.110 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.423 -1.000 -0.901 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.884 -0.622 -2.672 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.508 -1.789 -0.272 1.00 0.22 C ATOM 467 CE2 PHE A 32 -2.954 -1.396 -2.053 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.313 -1.939 -0.702 1.00 0.18 C ATOM 0 H PHE A 32 -5.489 -0.989 -4.797 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.488 -1.216 -3.067 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.564 1.090 -3.500 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.621 1.048 -2.103 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.391 -0.836 -0.451 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.648 -0.166 -3.622 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.804 -2.309 0.627 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -2.001 -1.610 -2.513 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.574 -2.449 -0.102 1.00 0.18 H new ATOM 478 N THR A 33 -8.079 1.660 -4.565 1.00 0.25 N ATOM 479 CA THR A 33 -9.059 2.666 -4.894 1.00 0.37 C ATOM 480 C THR A 33 -9.912 2.249 -6.136 1.00 0.37 C ATOM 481 O THR A 33 -10.276 3.084 -6.975 1.00 0.59 O ATOM 482 CB THR A 33 -8.254 3.944 -5.202 1.00 0.56 C ATOM 483 OG1 THR A 33 -7.110 3.954 -4.343 1.00 1.39 O ATOM 484 CG2 THR A 33 -9.029 5.183 -4.896 1.00 0.88 C ATOM 0 H THR A 33 -7.148 1.881 -4.919 1.00 0.25 H new ATOM 0 HA THR A 33 -9.762 2.811 -4.073 1.00 0.37 H new ATOM 0 HB THR A 33 -7.999 3.936 -6.262 1.00 0.56 H new ATOM 0 HG1 THR A 33 -7.044 4.824 -3.896 1.00 1.39 H new ATOM 0 HG21 THR A 33 -8.422 6.058 -5.128 1.00 0.88 H new ATOM 0 HG22 THR A 33 -9.938 5.201 -5.497 1.00 0.88 H new ATOM 0 HG23 THR A 33 -9.293 5.195 -3.839 1.00 0.88 H new ATOM 492 N ASP A 34 -10.295 0.973 -6.201 1.00 0.27 N ATOM 493 CA ASP A 34 -11.072 0.461 -7.343 1.00 0.29 C ATOM 494 C ASP A 34 -11.700 -0.898 -7.034 1.00 0.30 C ATOM 495 O ASP A 34 -12.912 -1.045 -7.028 1.00 0.46 O ATOM 496 CB ASP A 34 -10.178 0.340 -8.590 1.00 0.34 C ATOM 497 CG ASP A 34 -10.923 -0.146 -9.811 1.00 0.44 C ATOM 498 OD1 ASP A 34 -11.514 0.674 -10.530 1.00 0.59 O ATOM 499 OD2 ASP A 34 -10.939 -1.372 -10.061 1.00 0.54 O ATOM 0 H ASP A 34 -10.085 0.277 -5.486 1.00 0.27 H new ATOM 0 HA ASP A 34 -11.874 1.174 -7.535 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -9.734 1.312 -8.806 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.358 -0.345 -8.376 1.00 0.34 H new ATOM 504 N ASP A 35 -10.854 -1.858 -6.745 1.00 0.22 N ATOM 505 CA ASP A 35 -11.245 -3.257 -6.500 1.00 0.25 C ATOM 506 C ASP A 35 -11.737 -3.435 -5.104 1.00 0.28 C ATOM 507 O ASP A 35 -12.827 -3.940 -4.860 1.00 0.47 O ATOM 508 CB ASP A 35 -10.015 -4.157 -6.654 1.00 0.29 C ATOM 509 CG ASP A 35 -10.350 -5.646 -6.618 1.00 0.88 C ATOM 510 OD1 ASP A 35 -10.559 -6.194 -5.512 1.00 1.28 O ATOM 511 OD2 ASP A 35 -10.462 -6.289 -7.691 1.00 1.31 O ATOM 0 H ASP A 35 -9.849 -1.702 -6.668 1.00 0.22 H new ATOM 0 HA ASP A 35 -12.030 -3.515 -7.211 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -9.519 -3.926 -7.597 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.306 -3.931 -5.857 1.00 0.29 H new ATOM 516 N LEU A 36 -10.901 -3.022 -4.202 1.00 0.19 N ATOM 517 CA LEU A 36 -11.104 -3.195 -2.800 1.00 0.18 C ATOM 518 C LEU A 36 -12.159 -2.231 -2.301 1.00 0.22 C ATOM 519 O LEU A 36 -13.307 -2.621 -2.068 1.00 0.41 O ATOM 520 CB LEU A 36 -9.762 -2.956 -2.096 1.00 0.16 C ATOM 521 CG LEU A 36 -8.612 -3.848 -2.552 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.363 -3.554 -1.785 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.978 -5.293 -2.421 1.00 0.21 C ATOM 0 H LEU A 36 -10.032 -2.540 -4.431 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.457 -4.204 -2.586 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.473 -1.916 -2.246 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.904 -3.096 -1.024 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.421 -3.633 -3.603 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.561 -4.205 -2.132 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -7.078 -2.513 -1.939 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.538 -3.729 -0.723 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -8.143 -5.911 -2.752 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -9.205 -5.518 -1.379 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.852 -5.504 -3.037 1.00 0.21 H new ATOM 535 N ASP A 37 -11.712 -0.996 -2.170 1.00 0.21 N ATOM 536 CA ASP A 37 -12.447 0.238 -1.774 1.00 0.31 C ATOM 537 C ASP A 37 -11.738 0.915 -0.649 1.00 0.32 C ATOM 538 O ASP A 37 -12.123 0.815 0.516 1.00 0.65 O ATOM 539 CB ASP A 37 -13.933 0.092 -1.408 1.00 0.49 C ATOM 540 CG ASP A 37 -14.617 1.447 -1.235 1.00 0.82 C ATOM 541 OD1 ASP A 37 -14.746 2.219 -2.212 1.00 1.24 O ATOM 542 OD2 ASP A 37 -15.053 1.754 -0.108 1.00 1.05 O ATOM 0 H ASP A 37 -10.730 -0.788 -2.351 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.449 0.830 -2.689 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.444 -0.475 -2.186 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -14.024 -0.480 -0.485 1.00 0.49 H new ATOM 547 N VAL A 38 -10.637 1.505 -0.960 1.00 0.30 N ATOM 548 CA VAL A 38 -9.951 2.276 0.018 1.00 0.32 C ATOM 549 C VAL A 38 -10.552 3.672 -0.050 1.00 0.38 C ATOM 550 O VAL A 38 -11.113 4.053 -1.083 1.00 0.52 O ATOM 551 CB VAL A 38 -8.407 2.297 -0.223 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.033 3.126 -1.426 1.00 0.65 C ATOM 553 CG2 VAL A 38 -7.636 2.743 1.005 1.00 0.79 C ATOM 0 H VAL A 38 -10.194 1.470 -1.878 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.075 1.841 1.010 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.119 1.266 -0.429 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -6.951 3.112 -1.555 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.510 2.713 -2.315 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.368 4.153 -1.279 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.568 2.740 0.785 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -7.947 3.750 1.284 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -7.838 2.060 1.830 1.00 0.79 H new ATOM 563 N ASP A 39 -10.434 4.432 0.994 1.00 0.47 N ATOM 564 CA ASP A 39 -11.038 5.747 1.036 1.00 0.61 C ATOM 565 C ASP A 39 -10.064 6.751 0.488 1.00 0.60 C ATOM 566 O ASP A 39 -10.313 7.941 0.564 1.00 1.08 O ATOM 567 CB ASP A 39 -11.321 6.153 2.477 1.00 0.82 C ATOM 568 CG ASP A 39 -11.847 5.050 3.336 1.00 1.49 C ATOM 569 OD1 ASP A 39 -13.061 4.774 3.242 1.00 1.92 O ATOM 570 OD2 ASP A 39 -11.082 4.435 4.099 1.00 2.28 O ATOM 0 H ASP A 39 -9.924 4.171 1.838 1.00 0.47 H new ATOM 0 HA ASP A 39 -11.961 5.719 0.457 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -10.402 6.536 2.921 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -12.041 6.972 2.477 1.00 0.82 H new ATOM 575 N SER A 40 -8.909 6.239 0.003 1.00 0.38 N ATOM 576 CA SER A 40 -7.746 6.999 -0.493 1.00 0.37 C ATOM 577 C SER A 40 -7.099 7.927 0.592 1.00 0.32 C ATOM 578 O SER A 40 -5.944 8.293 0.495 1.00 0.37 O ATOM 579 CB SER A 40 -8.052 7.724 -1.814 1.00 0.56 C ATOM 580 OG SER A 40 -9.071 8.723 -1.608 1.00 0.75 O ATOM 0 H SER A 40 -8.759 5.232 -0.054 1.00 0.38 H new ATOM 0 HA SER A 40 -6.975 6.263 -0.720 1.00 0.37 H new ATOM 0 HB2 SER A 40 -7.146 8.192 -2.199 1.00 0.56 H new ATOM 0 HB3 SER A 40 -8.383 7.005 -2.564 1.00 0.56 H new ATOM 585 N LEU A 41 -7.842 8.226 1.637 1.00 0.31 N ATOM 586 CA LEU A 41 -7.391 9.043 2.732 1.00 0.32 C ATOM 587 C LEU A 41 -6.701 8.133 3.701 1.00 0.26 C ATOM 588 O LEU A 41 -5.740 8.509 4.373 1.00 0.36 O ATOM 589 CB LEU A 41 -8.582 9.738 3.400 1.00 0.39 C ATOM 590 CG LEU A 41 -9.456 10.605 2.482 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.595 11.233 3.261 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.630 11.679 1.798 1.00 0.77 C ATOM 0 H LEU A 41 -8.801 7.896 1.746 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.712 9.821 2.385 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.213 8.975 3.856 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -8.205 10.365 4.208 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.877 9.957 1.713 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -11.201 11.843 2.591 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -11.214 10.449 3.697 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -10.190 11.860 4.056 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -9.274 12.278 1.154 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -8.172 12.320 2.551 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -7.850 11.211 1.197 1.00 0.77 H new ATOM 604 N SER A 42 -7.167 6.889 3.714 1.00 0.16 N ATOM 605 CA SER A 42 -6.598 5.856 4.478 1.00 0.19 C ATOM 606 C SER A 42 -5.258 5.557 3.911 1.00 0.15 C ATOM 607 O SER A 42 -4.325 5.294 4.628 1.00 0.15 O ATOM 608 CB SER A 42 -7.511 4.635 4.379 1.00 0.30 C ATOM 609 OG SER A 42 -8.462 4.816 3.322 1.00 0.71 O ATOM 0 H SER A 42 -7.976 6.593 3.167 1.00 0.16 H new ATOM 0 HA SER A 42 -6.492 6.137 5.526 1.00 0.19 H new ATOM 0 HB2 SER A 42 -6.916 3.740 4.194 1.00 0.30 H new ATOM 0 HB3 SER A 42 -8.031 4.482 5.325 1.00 0.30 H new ATOM 0 HG SER A 42 -9.368 4.680 3.670 1.00 0.71 H new ATOM 615 N MET A 43 -5.170 5.721 2.598 1.00 0.18 N ATOM 616 CA MET A 43 -3.988 5.436 1.841 1.00 0.21 C ATOM 617 C MET A 43 -2.812 6.212 2.362 1.00 0.18 C ATOM 618 O MET A 43 -1.751 5.671 2.512 1.00 0.21 O ATOM 619 CB MET A 43 -4.197 5.779 0.382 1.00 0.28 C ATOM 620 CG MET A 43 -3.054 5.343 -0.476 1.00 0.39 C ATOM 621 SD MET A 43 -2.872 3.573 -0.396 1.00 0.42 S ATOM 622 CE MET A 43 -4.426 3.064 -1.094 1.00 0.34 C ATOM 0 H MET A 43 -5.944 6.064 2.029 1.00 0.18 H new ATOM 0 HA MET A 43 -3.784 4.370 1.941 1.00 0.21 H new ATOM 0 HB2 MET A 43 -5.114 5.307 0.028 1.00 0.28 H new ATOM 0 HB3 MET A 43 -4.333 6.856 0.281 1.00 0.28 H new ATOM 0 HG2 MET A 43 -3.224 5.653 -1.507 1.00 0.39 H new ATOM 0 HG3 MET A 43 -2.135 5.827 -0.145 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.765 2.153 -0.601 1.00 0.34 H new ATOM 0 HE2 MET A 43 -5.165 3.852 -0.949 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.301 2.875 -2.160 1.00 0.34 H new ATOM 632 N VAL A 44 -3.036 7.461 2.698 1.00 0.19 N ATOM 633 CA VAL A 44 -1.967 8.322 3.149 1.00 0.22 C ATOM 634 C VAL A 44 -1.389 7.828 4.492 1.00 0.20 C ATOM 635 O VAL A 44 -0.175 7.858 4.717 1.00 0.35 O ATOM 636 CB VAL A 44 -2.423 9.799 3.229 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.262 10.715 3.608 1.00 0.45 C ATOM 638 CG2 VAL A 44 -3.030 10.229 1.895 1.00 0.49 C ATOM 0 H VAL A 44 -3.954 7.905 2.667 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.167 8.276 2.410 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.180 9.883 4.008 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -1.613 11.746 3.656 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -0.868 10.420 4.580 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.475 10.634 2.858 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -3.349 11.269 1.959 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -2.285 10.125 1.106 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -3.890 9.599 1.667 1.00 0.49 H new ATOM 648 N GLU A 45 -2.251 7.307 5.345 1.00 0.13 N ATOM 649 CA GLU A 45 -1.813 6.765 6.607 1.00 0.14 C ATOM 650 C GLU A 45 -1.225 5.370 6.396 1.00 0.16 C ATOM 651 O GLU A 45 -0.277 4.986 7.071 1.00 0.25 O ATOM 652 CB GLU A 45 -2.955 6.732 7.596 1.00 0.20 C ATOM 653 CG GLU A 45 -3.514 8.093 7.933 1.00 0.31 C ATOM 654 CD GLU A 45 -4.695 8.001 8.847 1.00 1.00 C ATOM 655 OE1 GLU A 45 -4.521 7.626 10.026 1.00 1.07 O ATOM 656 OE2 GLU A 45 -5.817 8.327 8.421 1.00 1.85 O ATOM 0 H GLU A 45 -3.256 7.250 5.183 1.00 0.13 H new ATOM 0 HA GLU A 45 -1.036 7.408 7.020 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.755 6.112 7.191 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.614 6.253 8.514 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -2.738 8.698 8.402 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -3.805 8.604 7.015 1.00 0.31 H new ATOM 663 N VAL A 46 -1.779 4.634 5.413 1.00 0.15 N ATOM 664 CA VAL A 46 -1.264 3.313 5.033 1.00 0.20 C ATOM 665 C VAL A 46 0.164 3.481 4.530 1.00 0.24 C ATOM 666 O VAL A 46 1.024 2.660 4.783 1.00 0.30 O ATOM 667 CB VAL A 46 -2.153 2.608 3.931 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.576 1.266 3.517 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.568 2.389 4.428 1.00 0.22 C ATOM 0 H VAL A 46 -2.586 4.938 4.868 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.292 2.668 5.911 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.163 3.276 3.069 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.215 0.813 2.759 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.576 1.410 3.109 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.523 0.609 4.385 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.156 1.903 3.649 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.548 1.757 5.316 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -4.019 3.350 4.677 1.00 0.22 H new ATOM 679 N VAL A 47 0.382 4.597 3.876 1.00 0.30 N ATOM 680 CA VAL A 47 1.657 5.017 3.355 1.00 0.51 C ATOM 681 C VAL A 47 2.631 5.197 4.472 1.00 0.37 C ATOM 682 O VAL A 47 3.584 4.462 4.540 1.00 0.31 O ATOM 683 CB VAL A 47 1.471 6.322 2.513 1.00 0.91 C ATOM 684 CG1 VAL A 47 2.739 7.137 2.406 1.00 1.49 C ATOM 685 CG2 VAL A 47 0.985 5.968 1.121 1.00 0.96 C ATOM 0 H VAL A 47 -0.362 5.268 3.685 1.00 0.30 H new ATOM 0 HA VAL A 47 2.064 4.251 2.695 1.00 0.51 H new ATOM 0 HB VAL A 47 0.734 6.933 3.034 1.00 0.91 H new ATOM 0 HG11 VAL A 47 2.548 8.030 1.811 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.069 7.429 3.403 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.516 6.541 1.927 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.857 6.880 0.538 1.00 0.96 H new ATOM 0 HG22 VAL A 47 1.717 5.325 0.633 1.00 0.96 H new ATOM 0 HG23 VAL A 47 0.031 5.445 1.191 1.00 0.96 H new ATOM 695 N VAL A 48 2.371 6.129 5.367 1.00 0.39 N ATOM 696 CA VAL A 48 3.288 6.410 6.471 1.00 0.39 C ATOM 697 C VAL A 48 3.548 5.160 7.313 1.00 0.30 C ATOM 698 O VAL A 48 4.663 4.936 7.787 1.00 0.37 O ATOM 699 CB VAL A 48 2.786 7.590 7.340 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.732 7.868 8.500 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.651 8.825 6.473 1.00 0.76 C ATOM 0 H VAL A 48 1.532 6.710 5.358 1.00 0.39 H new ATOM 0 HA VAL A 48 4.241 6.712 6.036 1.00 0.39 H new ATOM 0 HB VAL A 48 1.816 7.323 7.760 1.00 0.48 H new ATOM 0 HG11 VAL A 48 3.350 8.702 9.089 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.805 6.982 9.130 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.719 8.120 8.112 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.298 9.659 7.080 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.621 9.075 6.042 1.00 0.76 H new ATOM 0 HG23 VAL A 48 1.937 8.631 5.672 1.00 0.76 H new ATOM 711 N ALA A 49 2.553 4.307 7.413 1.00 0.20 N ATOM 712 CA ALA A 49 2.709 3.067 8.141 1.00 0.19 C ATOM 713 C ALA A 49 3.597 2.097 7.344 1.00 0.18 C ATOM 714 O ALA A 49 4.475 1.438 7.895 1.00 0.25 O ATOM 715 CB ALA A 49 1.358 2.458 8.454 1.00 0.22 C ATOM 0 H ALA A 49 1.630 4.448 7.001 1.00 0.20 H new ATOM 0 HA ALA A 49 3.202 3.272 9.092 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.497 1.526 9.002 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.778 3.153 9.061 1.00 0.22 H new ATOM 0 HB3 ALA A 49 0.826 2.256 7.524 1.00 0.22 H new ATOM 721 N ALA A 50 3.394 2.048 6.038 1.00 0.15 N ATOM 722 CA ALA A 50 4.195 1.216 5.150 1.00 0.18 C ATOM 723 C ALA A 50 5.627 1.718 5.094 1.00 0.18 C ATOM 724 O ALA A 50 6.564 0.933 5.110 1.00 0.20 O ATOM 725 CB ALA A 50 3.611 1.188 3.752 1.00 0.21 C ATOM 0 H ALA A 50 2.669 2.584 5.561 1.00 0.15 H new ATOM 0 HA ALA A 50 4.186 0.203 5.551 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.230 0.559 3.112 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.599 0.784 3.788 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.583 2.200 3.349 1.00 0.21 H new ATOM 731 N GLU A 51 5.787 3.028 5.065 1.00 0.20 N ATOM 732 CA GLU A 51 7.091 3.662 5.034 1.00 0.23 C ATOM 733 C GLU A 51 7.849 3.264 6.273 1.00 0.24 C ATOM 734 O GLU A 51 9.029 2.988 6.229 1.00 0.29 O ATOM 735 CB GLU A 51 6.963 5.167 5.076 1.00 0.23 C ATOM 736 CG GLU A 51 6.145 5.826 3.967 1.00 0.29 C ATOM 737 CD GLU A 51 5.986 7.321 4.193 1.00 0.36 C ATOM 738 OE1 GLU A 51 5.878 7.751 5.350 1.00 0.59 O ATOM 739 OE2 GLU A 51 5.970 8.089 3.204 1.00 0.73 O ATOM 0 H GLU A 51 5.009 3.687 5.062 1.00 0.20 H new ATOM 0 HA GLU A 51 7.596 3.353 4.119 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.520 5.442 6.033 1.00 0.23 H new ATOM 0 HB3 GLU A 51 7.966 5.593 5.055 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.630 5.653 3.006 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.161 5.360 3.915 1.00 0.29 H new ATOM 746 N GLU A 52 7.114 3.178 7.350 1.00 0.24 N ATOM 747 CA GLU A 52 7.657 2.910 8.660 1.00 0.30 C ATOM 748 C GLU A 52 8.051 1.449 8.799 1.00 0.28 C ATOM 749 O GLU A 52 9.165 1.122 9.206 1.00 0.41 O ATOM 750 CB GLU A 52 6.602 3.258 9.703 1.00 0.41 C ATOM 751 CG GLU A 52 7.002 2.998 11.135 1.00 1.14 C ATOM 752 CD GLU A 52 5.851 3.199 12.070 1.00 1.75 C ATOM 753 OE1 GLU A 52 5.106 2.232 12.336 1.00 2.46 O ATOM 754 OE2 GLU A 52 5.682 4.324 12.566 1.00 2.26 O ATOM 0 H GLU A 52 6.101 3.294 7.344 1.00 0.24 H new ATOM 0 HA GLU A 52 8.552 3.515 8.806 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.347 4.313 9.600 1.00 0.41 H new ATOM 0 HB3 GLU A 52 5.698 2.688 9.486 1.00 0.41 H new ATOM 0 HG2 GLU A 52 7.376 1.979 11.230 1.00 1.14 H new ATOM 0 HG3 GLU A 52 7.819 3.664 11.413 1.00 1.14 H new ATOM 761 N ARG A 53 7.152 0.581 8.419 1.00 0.21 N ATOM 762 CA ARG A 53 7.342 -0.828 8.625 1.00 0.23 C ATOM 763 C ARG A 53 8.259 -1.439 7.574 1.00 0.23 C ATOM 764 O ARG A 53 8.982 -2.390 7.846 1.00 0.32 O ATOM 765 CB ARG A 53 5.994 -1.540 8.661 1.00 0.25 C ATOM 766 CG ARG A 53 5.259 -1.602 7.340 1.00 0.23 C ATOM 767 CD ARG A 53 3.961 -2.369 7.458 1.00 0.34 C ATOM 768 NE ARG A 53 4.169 -3.770 7.877 1.00 0.86 N ATOM 769 CZ ARG A 53 3.358 -4.476 8.686 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.355 -3.888 9.338 1.00 1.08 N ATOM 771 NH2 ARG A 53 3.594 -5.765 8.868 1.00 1.72 N ATOM 0 H ARG A 53 6.275 0.829 7.962 1.00 0.21 H new ATOM 0 HA ARG A 53 7.834 -0.962 9.588 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.149 -2.558 9.020 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.356 -1.039 9.389 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.053 -0.590 6.990 1.00 0.23 H new ATOM 0 HG3 ARG A 53 5.895 -2.075 6.592 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.312 -1.870 8.178 1.00 0.34 H new ATOM 0 HD3 ARG A 53 3.444 -2.353 6.498 1.00 0.34 H new ATOM 0 HE ARG A 53 5.000 -4.244 7.522 1.00 0.86 H new ATOM 0 HH11 ARG A 53 2.192 -2.887 9.228 1.00 1.08 H new ATOM 0 HH12 ARG A 53 1.750 -4.439 9.947 1.00 1.08 H new ATOM 0 HH21 ARG A 53 4.382 -6.211 8.398 1.00 1.72 H new ATOM 0 HH22 ARG A 53 2.988 -6.313 9.478 1.00 1.72 H new ATOM 785 N PHE A 54 8.232 -0.887 6.385 1.00 0.17 N ATOM 786 CA PHE A 54 9.028 -1.407 5.306 1.00 0.19 C ATOM 787 C PHE A 54 10.330 -0.650 5.152 1.00 0.20 C ATOM 788 O PHE A 54 11.231 -1.109 4.452 1.00 0.28 O ATOM 789 CB PHE A 54 8.237 -1.411 3.990 1.00 0.19 C ATOM 790 CG PHE A 54 7.022 -2.305 4.003 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.142 -3.658 4.247 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.763 -1.786 3.763 1.00 0.27 C ATOM 793 CE1 PHE A 54 6.036 -4.477 4.248 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.653 -2.602 3.765 1.00 0.32 C ATOM 795 CZ PHE A 54 4.790 -3.947 4.050 1.00 0.34 C ATOM 0 H PHE A 54 7.664 -0.075 6.142 1.00 0.17 H new ATOM 0 HA PHE A 54 9.278 -2.438 5.556 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.922 -0.392 3.765 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.898 -1.726 3.183 1.00 0.19 H new ATOM 0 HD1 PHE A 54 8.117 -4.080 4.440 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.649 -0.729 3.572 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.152 -5.539 4.405 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.679 -2.192 3.544 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.916 -4.578 4.116 1.00 0.34 H new ATOM 805 N ASP A 55 10.405 0.537 5.783 1.00 0.19 N ATOM 806 CA ASP A 55 11.590 1.466 5.744 1.00 0.26 C ATOM 807 C ASP A 55 11.741 2.107 4.358 1.00 0.29 C ATOM 808 O ASP A 55 12.427 3.109 4.187 1.00 0.47 O ATOM 809 CB ASP A 55 12.906 0.754 6.160 1.00 0.36 C ATOM 810 CG ASP A 55 14.107 1.694 6.287 1.00 0.93 C ATOM 811 OD1 ASP A 55 14.792 1.972 5.282 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.395 2.148 7.414 1.00 1.06 O ATOM 0 H ASP A 55 9.638 0.900 6.349 1.00 0.19 H new ATOM 0 HA ASP A 55 11.400 2.253 6.474 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.749 0.250 7.114 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.137 -0.018 5.426 1.00 0.36 H new ATOM 817 N VAL A 56 10.970 1.605 3.419 1.00 0.22 N ATOM 818 CA VAL A 56 11.093 1.938 2.011 1.00 0.29 C ATOM 819 C VAL A 56 10.708 3.371 1.773 1.00 0.25 C ATOM 820 O VAL A 56 11.428 4.117 1.104 1.00 0.34 O ATOM 821 CB VAL A 56 10.225 0.962 1.161 1.00 0.42 C ATOM 822 CG1 VAL A 56 10.056 1.419 -0.278 1.00 0.93 C ATOM 823 CG2 VAL A 56 10.878 -0.380 1.169 1.00 1.16 C ATOM 0 H VAL A 56 10.223 0.939 3.614 1.00 0.22 H new ATOM 0 HA VAL A 56 12.132 1.825 1.703 1.00 0.29 H new ATOM 0 HB VAL A 56 9.231 0.931 1.607 1.00 0.42 H new ATOM 0 HG11 VAL A 56 9.442 0.699 -0.819 1.00 0.93 H new ATOM 0 HG12 VAL A 56 9.570 2.395 -0.295 1.00 0.93 H new ATOM 0 HG13 VAL A 56 11.034 1.492 -0.754 1.00 0.93 H new ATOM 0 HG21 VAL A 56 10.284 -1.077 0.578 1.00 1.16 H new ATOM 0 HG22 VAL A 56 11.877 -0.301 0.740 1.00 1.16 H new ATOM 0 HG23 VAL A 56 10.951 -0.743 2.194 1.00 1.16 H new ATOM 833 N LYS A 57 9.606 3.738 2.378 1.00 0.20 N ATOM 834 CA LYS A 57 9.016 5.058 2.265 1.00 0.23 C ATOM 835 C LYS A 57 8.511 5.342 0.865 1.00 0.22 C ATOM 836 O LYS A 57 9.285 5.578 -0.070 1.00 0.31 O ATOM 837 CB LYS A 57 9.928 6.192 2.784 1.00 0.33 C ATOM 838 CG LYS A 57 9.313 7.587 2.633 1.00 0.72 C ATOM 839 CD LYS A 57 10.170 8.673 3.256 1.00 1.20 C ATOM 840 CE LYS A 57 10.228 8.560 4.774 1.00 1.08 C ATOM 841 NZ LYS A 57 11.086 9.608 5.356 1.00 1.48 N ATOM 0 H LYS A 57 9.075 3.111 2.982 1.00 0.20 H new ATOM 0 HA LYS A 57 8.152 5.043 2.929 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.153 6.014 3.836 1.00 0.33 H new ATOM 0 HB3 LYS A 57 10.875 6.161 2.246 1.00 0.33 H new ATOM 0 HG2 LYS A 57 9.170 7.804 1.574 1.00 0.72 H new ATOM 0 HG3 LYS A 57 8.326 7.597 3.096 1.00 0.72 H new ATOM 0 HD2 LYS A 57 11.180 8.614 2.850 1.00 1.20 H new ATOM 0 HD3 LYS A 57 9.772 9.650 2.981 1.00 1.20 H new ATOM 0 HE2 LYS A 57 9.222 8.640 5.186 1.00 1.08 H new ATOM 0 HE3 LYS A 57 10.609 7.578 5.054 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 11.106 9.505 6.391 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 12.051 9.515 4.980 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 10.707 10.544 5.108 1.00 1.48 H new ATOM 855 N ILE A 58 7.223 5.276 0.720 1.00 0.18 N ATOM 856 CA ILE A 58 6.577 5.579 -0.525 1.00 0.20 C ATOM 857 C ILE A 58 5.571 6.604 -0.204 1.00 0.22 C ATOM 858 O ILE A 58 4.494 6.242 0.226 1.00 0.34 O ATOM 859 CB ILE A 58 5.757 4.404 -1.157 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.426 3.028 -0.983 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.449 4.701 -2.634 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.302 2.454 0.423 1.00 0.52 C ATOM 0 H ILE A 58 6.583 5.008 1.468 1.00 0.18 H new ATOM 0 HA ILE A 58 7.361 5.853 -1.231 1.00 0.20 H new ATOM 0 HB ILE A 58 4.818 4.342 -0.607 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.983 2.328 -1.691 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.482 3.114 -1.238 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.879 3.876 -3.060 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.867 5.620 -2.707 1.00 0.28 H new ATOM 0 HG23 ILE A 58 6.383 4.819 -3.184 1.00 0.28 H new ATOM 0 HD11 ILE A 58 6.798 1.484 0.465 1.00 0.52 H new ATOM 0 HD12 ILE A 58 6.771 3.133 1.136 1.00 0.52 H new ATOM 0 HD13 ILE A 58 5.248 2.334 0.675 1.00 0.52 H new ATOM 874 N PRO A 59 5.908 7.880 -0.309 1.00 0.23 N ATOM 875 CA PRO A 59 4.955 8.949 -0.063 1.00 0.25 C ATOM 876 C PRO A 59 3.723 8.756 -0.947 1.00 0.19 C ATOM 877 O PRO A 59 3.844 8.242 -2.071 1.00 0.19 O ATOM 878 CB PRO A 59 5.724 10.214 -0.484 1.00 0.34 C ATOM 879 CG PRO A 59 6.905 9.714 -1.245 1.00 0.41 C ATOM 880 CD PRO A 59 7.231 8.391 -0.661 1.00 0.34 C ATOM 0 HA PRO A 59 4.602 8.989 0.968 1.00 0.25 H new ATOM 0 HB2 PRO A 59 5.104 10.865 -1.100 1.00 0.34 H new ATOM 0 HB3 PRO A 59 6.032 10.796 0.385 1.00 0.34 H new ATOM 0 HG2 PRO A 59 6.677 9.627 -2.307 1.00 0.41 H new ATOM 0 HG3 PRO A 59 7.747 10.400 -1.155 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.741 7.744 -1.375 1.00 0.34 H new ATOM 0 HD3 PRO A 59 7.880 8.478 0.211 1.00 0.34 H new ATOM 888 N ASP A 60 2.550 9.158 -0.470 1.00 0.21 N ATOM 889 CA ASP A 60 1.296 8.984 -1.232 1.00 0.26 C ATOM 890 C ASP A 60 1.332 9.713 -2.588 1.00 0.25 C ATOM 891 O ASP A 60 0.529 9.448 -3.474 1.00 0.35 O ATOM 892 CB ASP A 60 0.042 9.362 -0.418 1.00 0.36 C ATOM 893 CG ASP A 60 -0.077 10.831 -0.144 1.00 0.65 C ATOM 894 OD1 ASP A 60 0.700 11.359 0.676 1.00 0.88 O ATOM 895 OD2 ASP A 60 -0.947 11.485 -0.742 1.00 0.95 O ATOM 0 H ASP A 60 2.430 9.607 0.438 1.00 0.21 H new ATOM 0 HA ASP A 60 1.221 7.917 -1.440 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.845 9.029 -0.957 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.059 8.825 0.530 1.00 0.36 H new ATOM 900 N ASP A 61 2.288 10.596 -2.732 1.00 0.22 N ATOM 901 CA ASP A 61 2.570 11.278 -3.996 1.00 0.26 C ATOM 902 C ASP A 61 3.142 10.298 -4.993 1.00 0.27 C ATOM 903 O ASP A 61 2.767 10.280 -6.133 1.00 0.33 O ATOM 904 CB ASP A 61 3.559 12.435 -3.768 1.00 0.36 C ATOM 905 CG ASP A 61 4.098 13.055 -5.058 1.00 0.75 C ATOM 906 OD1 ASP A 61 3.440 13.963 -5.620 1.00 0.81 O ATOM 907 OD2 ASP A 61 5.159 12.631 -5.544 1.00 1.16 O ATOM 0 H ASP A 61 2.908 10.874 -1.971 1.00 0.22 H new ATOM 0 HA ASP A 61 1.639 11.686 -4.391 1.00 0.26 H new ATOM 0 HB2 ASP A 61 3.066 13.211 -3.182 1.00 0.36 H new ATOM 0 HB3 ASP A 61 4.397 12.071 -3.174 1.00 0.36 H new ATOM 912 N ASP A 62 4.014 9.456 -4.544 1.00 0.25 N ATOM 913 CA ASP A 62 4.657 8.516 -5.450 1.00 0.28 C ATOM 914 C ASP A 62 3.808 7.288 -5.564 1.00 0.26 C ATOM 915 O ASP A 62 3.732 6.654 -6.612 1.00 0.36 O ATOM 916 CB ASP A 62 6.063 8.164 -4.996 1.00 0.33 C ATOM 917 CG ASP A 62 6.899 7.642 -6.137 1.00 0.89 C ATOM 918 OD1 ASP A 62 7.335 8.470 -6.977 1.00 1.58 O ATOM 919 OD2 ASP A 62 7.162 6.437 -6.220 1.00 1.58 O ATOM 0 H ASP A 62 4.306 9.387 -3.569 1.00 0.25 H new ATOM 0 HA ASP A 62 4.753 8.986 -6.429 1.00 0.28 H new ATOM 0 HB2 ASP A 62 6.540 9.046 -4.568 1.00 0.33 H new ATOM 0 HB3 ASP A 62 6.014 7.414 -4.207 1.00 0.33 H new ATOM 924 N VAL A 63 3.106 7.017 -4.475 1.00 0.21 N ATOM 925 CA VAL A 63 2.196 5.899 -4.326 1.00 0.25 C ATOM 926 C VAL A 63 1.080 5.909 -5.391 1.00 0.24 C ATOM 927 O VAL A 63 0.455 4.906 -5.643 1.00 0.26 O ATOM 928 CB VAL A 63 1.635 5.784 -2.869 1.00 0.40 C ATOM 929 CG1 VAL A 63 0.203 6.281 -2.717 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.801 4.387 -2.335 1.00 0.73 C ATOM 0 H VAL A 63 3.159 7.596 -3.637 1.00 0.21 H new ATOM 0 HA VAL A 63 2.779 4.995 -4.502 1.00 0.25 H new ATOM 0 HB VAL A 63 2.237 6.459 -2.261 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -0.113 6.168 -1.680 1.00 0.51 H new ATOM 0 HG12 VAL A 63 0.151 7.332 -3.000 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.455 5.698 -3.362 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.403 4.335 -1.322 1.00 0.73 H new ATOM 0 HG22 VAL A 63 1.261 3.687 -2.973 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.859 4.125 -2.323 1.00 0.73 H new ATOM 940 N LYS A 64 0.832 7.082 -5.994 1.00 0.29 N ATOM 941 CA LYS A 64 -0.167 7.230 -7.051 1.00 0.37 C ATOM 942 C LYS A 64 0.156 6.312 -8.208 1.00 0.34 C ATOM 943 O LYS A 64 -0.724 5.789 -8.878 1.00 0.42 O ATOM 944 CB LYS A 64 -0.250 8.680 -7.583 1.00 0.51 C ATOM 945 CG LYS A 64 0.984 9.173 -8.328 1.00 0.58 C ATOM 946 CD LYS A 64 0.817 10.583 -8.872 1.00 0.72 C ATOM 947 CE LYS A 64 0.681 11.619 -7.769 1.00 0.61 C ATOM 948 NZ LYS A 64 0.585 12.985 -8.304 1.00 0.87 N ATOM 0 H LYS A 64 1.318 7.948 -5.760 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.129 6.969 -6.610 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.110 8.757 -8.248 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -0.437 9.348 -6.742 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.843 9.146 -7.658 1.00 0.58 H new ATOM 0 HG3 LYS A 64 1.201 8.493 -9.152 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.675 10.832 -9.496 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.065 10.620 -9.512 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -0.205 11.400 -7.173 1.00 0.61 H new ATOM 0 HE3 LYS A 64 1.539 11.551 -7.100 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 0.494 13.660 -7.518 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 1.442 13.205 -8.851 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -0.248 13.058 -8.922 1.00 0.87 H new ATOM 962 N ASN A 65 1.435 6.091 -8.389 1.00 0.30 N ATOM 963 CA ASN A 65 1.932 5.268 -9.470 1.00 0.36 C ATOM 964 C ASN A 65 1.798 3.822 -9.113 1.00 0.34 C ATOM 965 O ASN A 65 2.129 2.953 -9.896 1.00 0.56 O ATOM 966 CB ASN A 65 3.398 5.590 -9.794 1.00 0.49 C ATOM 967 CG ASN A 65 3.615 7.041 -10.163 1.00 0.64 C ATOM 968 OD1 ASN A 65 3.462 7.433 -11.313 1.00 1.09 O ATOM 969 ND2 ASN A 65 4.005 7.848 -9.200 1.00 0.67 N ATOM 0 H ASN A 65 2.165 6.477 -7.790 1.00 0.30 H new ATOM 0 HA ASN A 65 1.335 5.483 -10.356 1.00 0.36 H new ATOM 0 HB2 ASN A 65 4.018 5.343 -8.932 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.730 4.958 -10.617 1.00 0.49 H new ATOM 0 HD21 ASN A 65 4.189 8.831 -9.401 1.00 0.67 H new ATOM 0 HD22 ASN A 65 4.123 7.491 -8.252 1.00 0.67 H new ATOM 976 N LEU A 66 1.273 3.573 -7.936 1.00 0.22 N ATOM 977 CA LEU A 66 1.132 2.241 -7.422 1.00 0.23 C ATOM 978 C LEU A 66 -0.318 1.938 -7.196 1.00 0.37 C ATOM 979 O LEU A 66 -0.658 1.327 -6.213 1.00 0.89 O ATOM 980 CB LEU A 66 1.853 2.119 -6.102 1.00 0.25 C ATOM 981 CG LEU A 66 3.296 2.575 -6.078 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.838 2.485 -4.680 1.00 0.41 C ATOM 983 CD2 LEU A 66 4.152 1.785 -7.049 1.00 0.31 C ATOM 0 H LEU A 66 0.930 4.299 -7.307 1.00 0.22 H new ATOM 0 HA LEU A 66 1.556 1.543 -8.144 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.301 2.692 -5.357 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.819 1.075 -5.790 1.00 0.25 H new ATOM 0 HG LEU A 66 3.329 3.615 -6.402 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.877 2.815 -4.671 1.00 0.41 H new ATOM 0 HD12 LEU A 66 3.249 3.122 -4.020 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.782 1.453 -4.334 1.00 0.41 H new ATOM 0 HD21 LEU A 66 5.181 2.143 -7.002 1.00 0.31 H new ATOM 0 HD22 LEU A 66 4.123 0.728 -6.783 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.769 1.915 -8.061 1.00 0.31 H new ATOM 995 N LYS A 67 -1.154 2.392 -8.119 1.00 0.26 N ATOM 996 CA LYS A 67 -2.628 2.130 -8.136 1.00 0.30 C ATOM 997 C LYS A 67 -3.079 0.729 -7.618 1.00 0.36 C ATOM 998 O LYS A 67 -4.223 0.581 -7.173 1.00 0.72 O ATOM 999 CB LYS A 67 -3.214 2.331 -9.541 1.00 0.45 C ATOM 1000 CG LYS A 67 -2.518 1.513 -10.615 1.00 1.06 C ATOM 1001 CD LYS A 67 -3.344 1.325 -11.905 1.00 1.55 C ATOM 1002 CE LYS A 67 -3.738 2.624 -12.625 1.00 1.97 C ATOM 1003 NZ LYS A 67 -4.909 3.317 -12.017 1.00 2.81 N ATOM 0 H LYS A 67 -0.843 2.966 -8.902 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.016 2.863 -7.429 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.272 2.068 -9.525 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -3.152 3.387 -9.803 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -1.574 1.996 -10.869 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.274 0.532 -10.207 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -2.773 0.704 -12.596 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -4.252 0.775 -11.659 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -2.885 3.303 -12.623 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -3.963 2.397 -13.667 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -5.456 3.794 -12.762 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -5.513 2.621 -11.536 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -4.576 4.021 -11.328 1.00 2.81 H new ATOM 1017 N THR A 68 -2.253 -0.286 -7.714 1.00 0.21 N ATOM 1018 CA THR A 68 -2.636 -1.569 -7.198 1.00 0.19 C ATOM 1019 C THR A 68 -1.774 -1.998 -6.029 1.00 0.18 C ATOM 1020 O THR A 68 -0.700 -1.441 -5.802 1.00 0.25 O ATOM 1021 CB THR A 68 -2.635 -2.676 -8.258 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.353 -2.746 -8.894 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.706 -2.458 -9.291 1.00 0.22 C ATOM 0 H THR A 68 -1.326 -0.246 -8.139 1.00 0.21 H new ATOM 0 HA THR A 68 -3.662 -1.432 -6.856 1.00 0.19 H new ATOM 0 HB THR A 68 -2.845 -3.619 -7.752 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.361 -3.457 -9.568 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.673 -3.263 -10.025 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.682 -2.448 -8.806 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.540 -1.504 -9.792 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.223 -3.023 -5.311 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.436 -3.575 -4.217 1.00 0.14 C ATOM 1033 C VAL A 69 -0.114 -4.075 -4.748 1.00 0.16 C ATOM 1034 O VAL A 69 0.944 -3.771 -4.204 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.123 -4.760 -3.538 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.319 -5.126 -2.330 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.547 -4.431 -3.137 1.00 0.15 C ATOM 0 H VAL A 69 -3.120 -3.484 -5.466 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.310 -2.773 -3.490 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.175 -5.594 -4.238 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.786 -5.971 -1.824 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.309 -5.399 -2.634 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.275 -4.275 -1.650 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -4.000 -5.299 -2.658 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.544 -3.592 -2.441 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.122 -4.165 -4.024 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.187 -4.840 -5.805 1.00 0.17 N ATOM 1048 CA GLY A 70 0.975 -5.410 -6.399 1.00 0.20 C ATOM 1049 C GLY A 70 1.893 -4.385 -6.975 1.00 0.16 C ATOM 1050 O GLY A 70 3.099 -4.605 -7.034 1.00 0.17 O ATOM 0 H GLY A 70 -1.060 -5.081 -6.273 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.512 -5.992 -5.650 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.673 -6.103 -7.184 1.00 0.20 H new ATOM 1054 N ASP A 71 1.344 -3.254 -7.367 1.00 0.15 N ATOM 1055 CA ASP A 71 2.150 -2.200 -7.937 1.00 0.16 C ATOM 1056 C ASP A 71 2.991 -1.625 -6.829 1.00 0.14 C ATOM 1057 O ASP A 71 4.209 -1.461 -6.964 1.00 0.15 O ATOM 1058 CB ASP A 71 1.288 -1.104 -8.499 1.00 0.21 C ATOM 1059 CG ASP A 71 1.911 -0.449 -9.709 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.083 -0.073 -9.675 1.00 0.46 O ATOM 1061 OD2 ASP A 71 1.220 -0.329 -10.752 1.00 0.62 O ATOM 0 H ASP A 71 0.348 -3.044 -7.301 1.00 0.15 H new ATOM 0 HA ASP A 71 2.760 -2.606 -8.744 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.315 -1.513 -8.771 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.114 -0.351 -7.730 1.00 0.21 H new ATOM 1066 N ALA A 72 2.332 -1.358 -5.699 1.00 0.15 N ATOM 1067 CA ALA A 72 3.005 -0.894 -4.504 1.00 0.16 C ATOM 1068 C ALA A 72 4.038 -1.890 -4.096 1.00 0.15 C ATOM 1069 O ALA A 72 5.188 -1.546 -3.920 1.00 0.17 O ATOM 1070 CB ALA A 72 2.024 -0.717 -3.388 1.00 0.21 C ATOM 0 H ALA A 72 1.322 -1.460 -5.596 1.00 0.15 H new ATOM 0 HA ALA A 72 3.477 0.065 -4.718 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.546 -0.368 -2.497 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.271 0.016 -3.678 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.540 -1.670 -3.175 1.00 0.21 H new ATOM 1076 N THR A 73 3.619 -3.137 -4.019 1.00 0.14 N ATOM 1077 CA THR A 73 4.466 -4.256 -3.651 1.00 0.16 C ATOM 1078 C THR A 73 5.726 -4.305 -4.534 1.00 0.18 C ATOM 1079 O THR A 73 6.801 -4.601 -4.065 1.00 0.28 O ATOM 1080 CB THR A 73 3.664 -5.573 -3.778 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.502 -5.506 -2.941 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.487 -6.763 -3.358 1.00 0.19 C ATOM 0 H THR A 73 2.656 -3.408 -4.215 1.00 0.14 H new ATOM 0 HA THR A 73 4.788 -4.129 -2.618 1.00 0.16 H new ATOM 0 HB THR A 73 3.383 -5.693 -4.824 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.760 -5.107 -3.442 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.892 -7.671 -3.460 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.371 -6.835 -3.991 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.793 -6.645 -2.319 1.00 0.19 H new ATOM 1090 N LYS A 74 5.578 -3.922 -5.775 1.00 0.15 N ATOM 1091 CA LYS A 74 6.651 -3.906 -6.726 1.00 0.18 C ATOM 1092 C LYS A 74 7.667 -2.870 -6.319 1.00 0.18 C ATOM 1093 O LYS A 74 8.845 -3.180 -6.160 1.00 0.26 O ATOM 1094 CB LYS A 74 6.054 -3.670 -8.135 1.00 0.23 C ATOM 1095 CG LYS A 74 7.012 -3.394 -9.299 1.00 0.39 C ATOM 1096 CD LYS A 74 7.495 -1.941 -9.344 1.00 1.21 C ATOM 1097 CE LYS A 74 6.328 -0.948 -9.431 1.00 1.65 C ATOM 1098 NZ LYS A 74 5.443 -1.200 -10.585 1.00 2.01 N ATOM 0 H LYS A 74 4.687 -3.606 -6.158 1.00 0.15 H new ATOM 0 HA LYS A 74 7.180 -4.859 -6.753 1.00 0.18 H new ATOM 0 HB2 LYS A 74 5.461 -4.547 -8.395 1.00 0.23 H new ATOM 0 HB3 LYS A 74 5.365 -2.828 -8.066 1.00 0.23 H new ATOM 0 HG2 LYS A 74 7.874 -4.056 -9.217 1.00 0.39 H new ATOM 0 HG3 LYS A 74 6.513 -3.635 -10.238 1.00 0.39 H new ATOM 0 HD2 LYS A 74 8.086 -1.728 -8.453 1.00 1.21 H new ATOM 0 HD3 LYS A 74 8.152 -1.804 -10.203 1.00 1.21 H new ATOM 0 HE2 LYS A 74 5.743 -1.001 -8.513 1.00 1.65 H new ATOM 0 HE3 LYS A 74 6.724 0.065 -9.498 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 4.580 -0.627 -10.492 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 5.936 -0.942 -11.464 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 5.188 -2.208 -10.614 1.00 2.01 H new ATOM 1112 N TYR A 75 7.188 -1.668 -6.086 1.00 0.15 N ATOM 1113 CA TYR A 75 8.013 -0.560 -5.714 1.00 0.16 C ATOM 1114 C TYR A 75 8.667 -0.822 -4.378 1.00 0.16 C ATOM 1115 O TYR A 75 9.883 -0.665 -4.213 1.00 0.18 O ATOM 1116 CB TYR A 75 7.145 0.671 -5.585 1.00 0.22 C ATOM 1117 CG TYR A 75 7.914 1.890 -5.262 1.00 0.26 C ATOM 1118 CD1 TYR A 75 8.635 2.541 -6.226 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.937 2.371 -3.981 1.00 0.32 C ATOM 1120 CE1 TYR A 75 9.373 3.648 -5.920 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.659 3.480 -3.658 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.383 4.119 -4.627 1.00 0.44 C ATOM 1123 OH TYR A 75 10.136 5.221 -4.301 1.00 0.50 O ATOM 0 H TYR A 75 6.196 -1.438 -6.153 1.00 0.15 H new ATOM 0 HA TYR A 75 8.781 -0.417 -6.474 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.604 0.826 -6.518 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.399 0.503 -4.808 1.00 0.22 H new ATOM 0 HD1 TYR A 75 8.620 2.174 -7.242 1.00 0.49 H new ATOM 0 HD2 TYR A 75 7.373 1.863 -3.213 1.00 0.32 H new ATOM 0 HE1 TYR A 75 9.944 4.150 -6.687 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.660 3.852 -2.644 1.00 0.37 H new ATOM 0 HH TYR A 75 10.029 5.420 -3.347 1.00 0.50 H new ATOM 1133 N ILE A 76 7.851 -1.228 -3.440 1.00 0.16 N ATOM 1134 CA ILE A 76 8.266 -1.443 -2.097 1.00 0.18 C ATOM 1135 C ILE A 76 9.283 -2.572 -2.010 1.00 0.21 C ATOM 1136 O ILE A 76 10.241 -2.459 -1.291 1.00 0.32 O ATOM 1137 CB ILE A 76 7.051 -1.692 -1.148 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.051 -0.543 -1.270 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.511 -1.794 0.297 1.00 0.28 C ATOM 1140 CD1 ILE A 76 4.805 -0.696 -0.425 1.00 0.21 C ATOM 0 H ILE A 76 6.862 -1.419 -3.602 1.00 0.16 H new ATOM 0 HA ILE A 76 8.755 -0.530 -1.757 1.00 0.18 H new ATOM 0 HB ILE A 76 6.578 -2.629 -1.440 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.550 0.386 -0.993 1.00 0.20 H new ATOM 0 HG13 ILE A 76 5.755 -0.446 -2.315 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.649 -1.967 0.942 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.212 -2.622 0.398 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.002 -0.865 0.589 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.155 0.166 -0.576 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.277 -1.604 -0.716 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.084 -0.760 0.627 1.00 0.21 H new ATOM 1152 N LEU A 77 9.090 -3.630 -2.783 1.00 0.19 N ATOM 1153 CA LEU A 77 9.996 -4.770 -2.752 1.00 0.23 C ATOM 1154 C LEU A 77 11.329 -4.368 -3.410 1.00 0.29 C ATOM 1155 O LEU A 77 12.395 -4.681 -2.910 1.00 0.34 O ATOM 1156 CB LEU A 77 9.349 -5.976 -3.476 1.00 0.23 C ATOM 1157 CG LEU A 77 9.911 -7.389 -3.200 1.00 0.34 C ATOM 1158 CD1 LEU A 77 8.957 -8.430 -3.754 1.00 0.92 C ATOM 1159 CD2 LEU A 77 11.291 -7.599 -3.813 1.00 0.87 C ATOM 0 H LEU A 77 8.315 -3.724 -3.439 1.00 0.19 H new ATOM 0 HA LEU A 77 10.192 -5.068 -1.722 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.289 -5.985 -3.222 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.418 -5.795 -4.549 1.00 0.23 H new ATOM 0 HG LEU A 77 10.011 -7.492 -2.119 1.00 0.34 H new ATOM 0 HD11 LEU A 77 9.353 -9.427 -3.560 1.00 0.92 H new ATOM 0 HD12 LEU A 77 7.985 -8.326 -3.272 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.847 -8.287 -4.829 1.00 0.92 H new ATOM 0 HD21 LEU A 77 11.639 -8.607 -3.589 1.00 0.87 H new ATOM 0 HD22 LEU A 77 11.233 -7.467 -4.893 1.00 0.87 H new ATOM 0 HD23 LEU A 77 11.989 -6.873 -3.395 1.00 0.87 H new ATOM 1171 N ASP A 78 11.237 -3.616 -4.501 1.00 0.33 N ATOM 1172 CA ASP A 78 12.416 -3.150 -5.277 1.00 0.41 C ATOM 1173 C ASP A 78 13.274 -2.184 -4.455 1.00 0.45 C ATOM 1174 O ASP A 78 14.488 -2.117 -4.603 1.00 0.53 O ATOM 1175 CB ASP A 78 11.933 -2.452 -6.561 1.00 0.43 C ATOM 1176 CG ASP A 78 13.046 -1.967 -7.475 1.00 0.52 C ATOM 1177 OD1 ASP A 78 13.635 -2.793 -8.221 1.00 0.68 O ATOM 1178 OD2 ASP A 78 13.400 -0.774 -7.410 1.00 0.54 O ATOM 0 H ASP A 78 10.346 -3.303 -4.886 1.00 0.33 H new ATOM 0 HA ASP A 78 13.029 -4.015 -5.529 1.00 0.41 H new ATOM 0 HB2 ASP A 78 11.299 -3.142 -7.117 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.311 -1.601 -6.284 1.00 0.43 H new ATOM 1183 N HIS A 79 12.618 -1.457 -3.589 1.00 0.41 N ATOM 1184 CA HIS A 79 13.251 -0.455 -2.733 1.00 0.47 C ATOM 1185 C HIS A 79 13.450 -0.939 -1.299 1.00 0.52 C ATOM 1186 O HIS A 79 13.815 -0.146 -0.432 1.00 0.74 O ATOM 1187 CB HIS A 79 12.452 0.846 -2.720 1.00 0.47 C ATOM 1188 CG HIS A 79 12.635 1.719 -3.914 1.00 0.52 C ATOM 1189 ND1 HIS A 79 13.323 2.907 -3.864 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.177 1.606 -5.177 1.00 0.53 C ATOM 1191 CE1 HIS A 79 13.279 3.490 -5.036 1.00 0.79 C ATOM 1192 NE2 HIS A 79 12.588 2.724 -5.853 1.00 0.67 N ATOM 0 H HIS A 79 11.611 -1.536 -3.447 1.00 0.41 H new ATOM 0 HA HIS A 79 14.236 -0.276 -3.165 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.394 0.602 -2.628 1.00 0.47 H new ATOM 0 HB3 HIS A 79 12.727 1.413 -1.831 1.00 0.47 H new ATOM 0 HD2 HIS A 79 11.596 0.789 -5.579 1.00 0.53 H new ATOM 0 HE1 HIS A 79 13.732 4.437 -5.289 1.00 0.79 H new ATOM 0 HE2 HIS A 79 12.390 2.930 -6.832 1.00 0.67 H new ATOM 1201 N GLN A 80 13.157 -2.206 -1.045 1.00 0.47 N ATOM 1202 CA GLN A 80 13.226 -2.785 0.318 1.00 0.52 C ATOM 1203 C GLN A 80 14.553 -2.552 1.045 1.00 0.62 C ATOM 1204 O GLN A 80 15.620 -2.342 0.428 1.00 0.89 O ATOM 1205 CB GLN A 80 12.976 -4.291 0.305 1.00 0.64 C ATOM 1206 CG GLN A 80 11.540 -4.691 0.277 1.00 0.53 C ATOM 1207 CD GLN A 80 10.824 -4.315 1.543 1.00 0.58 C ATOM 1208 OE1 GLN A 80 11.412 -4.284 2.622 1.00 1.07 O ATOM 1209 NE2 GLN A 80 9.582 -4.015 1.430 1.00 0.53 N ATOM 0 H GLN A 80 12.865 -2.870 -1.762 1.00 0.47 H new ATOM 0 HA GLN A 80 12.442 -2.255 0.859 1.00 0.52 H new ATOM 0 HB2 GLN A 80 13.474 -4.719 -0.565 1.00 0.64 H new ATOM 0 HB3 GLN A 80 13.443 -4.729 1.187 1.00 0.64 H new ATOM 0 HG2 GLN A 80 11.048 -4.216 -0.572 1.00 0.53 H new ATOM 0 HG3 GLN A 80 11.467 -5.768 0.126 1.00 0.53 H new ATOM 0 HE21 GLN A 80 9.129 -4.053 0.517 1.00 0.53 H new ATOM 0 HE22 GLN A 80 9.047 -3.739 2.253 1.00 0.53 H new ATOM 1218 N ALA A 81 14.469 -2.634 2.344 1.00 0.73 N ATOM 1219 CA ALA A 81 15.596 -2.528 3.213 1.00 0.89 C ATOM 1220 C ALA A 81 15.384 -3.513 4.349 1.00 1.93 C ATOM 1221 O ALA A 81 14.987 -3.104 5.457 1.00 2.48 O ATOM 1222 CB ALA A 81 15.731 -1.104 3.732 1.00 1.57 C ATOM 1223 OXT ALA A 81 15.504 -4.729 4.103 1.00 2.75 O ATOM 0 H ALA A 81 13.587 -2.781 2.836 1.00 0.73 H new ATOM 0 HA ALA A 81 16.520 -2.762 2.685 1.00 0.89 H new ATOM 0 HB1 ALA A 81 16.595 -1.038 4.394 1.00 1.57 H new ATOM 0 HB2 ALA A 81 15.864 -0.422 2.892 1.00 1.57 H new ATOM 0 HB3 ALA A 81 14.831 -0.830 4.282 1.00 1.57 H new TER 1229 ALA A 81 HETATM 1230 P24 SXH A 101 -9.008 10.089 -2.364 1.00 0.86 P HETATM 1231 O26 SXH A 101 -10.233 10.859 -1.949 1.00 1.13 O HETATM 1232 O23 SXH A 101 -8.796 9.843 -3.832 1.00 1.10 O HETATM 1233 O27 SXH A 101 -7.760 10.908 -1.815 1.00 0.87 O HETATM 1234 C28 SXH A 101 -6.354 10.439 -2.047 1.00 0.52 C HETATM 1235 C29 SXH A 101 -5.363 11.581 -1.730 1.00 0.73 C HETATM 1236 C30 SXH A 101 -5.841 12.808 -2.448 1.00 1.22 C HETATM 1237 C31 SXH A 101 -5.373 11.825 -0.234 1.00 1.14 C HETATM 1238 C32 SXH A 101 -3.873 11.237 -2.166 1.00 1.23 C HETATM 1239 O33 SXH A 101 -3.250 10.217 -1.372 1.00 1.96 O HETATM 1240 C34 SXH A 101 -3.726 10.877 -3.619 1.00 1.30 C HETATM 1241 O35 SXH A 101 -4.513 11.251 -4.505 1.00 2.26 O HETATM 1242 N36 SXH A 101 -2.680 10.139 -3.817 1.00 0.83 N HETATM 1243 C37 SXH A 101 -2.194 9.574 -5.095 1.00 1.02 C HETATM 1244 C38 SXH A 101 -3.278 9.246 -6.139 1.00 1.13 C HETATM 1245 C39 SXH A 101 -4.358 8.310 -5.650 1.00 0.88 C HETATM 1246 O40 SXH A 101 -5.446 8.214 -6.237 1.00 1.41 O HETATM 1247 N41 SXH A 101 -4.041 7.633 -4.577 1.00 0.55 N HETATM 1248 C42 SXH A 101 -4.890 6.704 -3.926 1.00 0.93 C HETATM 1249 C43 SXH A 101 -4.354 5.354 -4.120 1.00 0.65 C HETATM 1250 S1 SXH A 101 -2.703 5.310 -3.678 1.00 1.15 S HETATM 1251 C1 SXH A 101 -2.370 3.722 -4.273 1.00 0.81 C HETATM 1252 O1 SXH A 101 -3.053 3.157 -5.143 1.00 1.38 O HETATM 1253 C2 SXH A 101 -1.193 3.050 -3.617 1.00 0.61 C HETATM 1254 C3 SXH A 101 -1.529 1.681 -3.073 1.00 0.46 C HETATM 1255 C4 SXH A 101 -0.401 1.100 -2.232 1.00 0.62 C HETATM 1256 C5 SXH A 101 -0.143 1.893 -0.958 1.00 0.60 C HETATM 1257 C6 SXH A 101 1.010 1.294 -0.203 1.00 0.67 C HETATM 0 HO33 SXH A 101 -2.391 10.545 -1.033 1.00 1.96 H new HETATM 0 HN41 SXH A 101 -3.114 7.785 -4.179 1.00 0.55 H new HETATM 0 HN36 SXH A 101 -2.123 9.921 -2.991 1.00 0.83 H new HETATM 0 H43A SXH A 101 -4.919 4.640 -3.520 1.00 0.65 H new HETATM 0 H42A SXH A 101 -4.956 6.934 -2.863 1.00 0.93 H new HETATM 0 H38A SXH A 101 -3.742 10.176 -6.466 1.00 1.13 H new HETATM 0 H37A SXH A 101 -1.491 10.279 -5.538 1.00 1.02 H new HETATM 0 H31B SXH A 101 -6.378 12.106 0.082 1.00 1.14 H new HETATM 0 H31A SXH A 101 -5.070 10.915 0.285 1.00 1.14 H new HETATM 0 H30B SXH A 101 -5.868 12.615 -3.520 1.00 1.22 H new HETATM 0 H30A SXH A 101 -6.842 13.066 -2.101 1.00 1.22 H new HETATM 0 H28A SXH A 101 -6.141 9.575 -1.418 1.00 0.52 H new HETATM 0 H6B SXH A 101 0.777 0.262 0.059 1.00 0.67 H new HETATM 0 H6A SXH A 101 1.904 1.317 -0.826 1.00 0.67 H new HETATM 0 H6 SXH A 101 1.187 1.868 0.707 1.00 0.67 H new HETATM 0 H5A SXH A 101 0.074 2.932 -1.205 1.00 0.60 H new HETATM 0 H5 SXH A 101 -1.036 1.894 -0.333 1.00 0.60 H new HETATM 0 H4A SXH A 101 -0.643 0.070 -1.970 1.00 0.62 H new HETATM 0 H43 SXH A 101 -4.468 5.055 -5.162 1.00 0.65 H new HETATM 0 H42 SXH A 101 -5.900 6.770 -4.329 1.00 0.93 H new HETATM 0 H4 SXH A 101 0.512 1.071 -2.827 1.00 0.62 H new HETATM 0 H3A SXH A 101 -2.434 1.745 -2.469 1.00 0.46 H new HETATM 0 H38 SXH A 101 -2.800 8.804 -7.013 1.00 1.13 H new HETATM 0 H37 SXH A 101 -1.637 8.662 -4.879 1.00 1.02 H new HETATM 0 H32 SXH A 101 -3.353 12.178 -1.988 1.00 1.23 H new HETATM 0 H31 SXH A 101 -4.678 12.629 0.008 1.00 1.14 H new HETATM 0 H30 SXH A 101 -5.162 13.636 -2.245 1.00 1.22 H new HETATM 0 H3 SXH A 101 -1.746 1.007 -3.901 1.00 0.46 H new HETATM 0 H2A SXH A 101 -0.382 2.960 -4.340 1.00 0.61 H new HETATM 0 H28 SXH A 101 -6.234 10.118 -3.082 1.00 0.52 H new HETATM 0 H2 SXH A 101 -0.827 3.679 -2.805 1.00 0.61 H new