USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=0.24) USER MOD Set 2.1: A 33 THR OG1 : rot 63:sc= 0.127 USER MOD Set 2.2: A 43 MET CE :methyl -134:sc= -3.82! (180deg=-4.26!) USER MOD Single : A 3 THR OG1 : rot 29:sc= 0.646 USER MOD Single : A 4 GLN : amide:sc= -0.724 K(o=-0.72,f=-3.3!) USER MOD Single : A 16 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= -0.484 (180deg=-1.92!) USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= 1.23 (180deg=0.344) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0364 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.162 USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.05) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00138 K(o=-0.0014,f=-0.79) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.554) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 73 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.077 (180deg=-0.506) USER MOD Single : A 80 GLN : amide:sc= -2.97! K(o=-3!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.583 -7.464 0.283 1.00 0.54 N ATOM 24 CA THR A 3 -11.880 -8.467 1.014 1.00 0.48 C ATOM 25 C THR A 3 -10.459 -7.939 1.272 1.00 0.39 C ATOM 26 O THR A 3 -9.796 -7.517 0.335 1.00 0.37 O ATOM 27 CB THR A 3 -11.824 -9.723 0.163 1.00 0.54 C ATOM 28 OG1 THR A 3 -13.067 -9.851 -0.555 1.00 1.05 O ATOM 29 CG2 THR A 3 -11.671 -10.916 1.056 1.00 0.94 C ATOM 0 HA THR A 3 -12.369 -8.696 1.961 1.00 0.48 H new ATOM 0 HB THR A 3 -10.985 -9.662 -0.530 1.00 0.54 H new ATOM 0 HG1 THR A 3 -13.444 -8.961 -0.718 1.00 1.05 H new ATOM 0 HG21 THR A 3 -11.630 -11.821 0.450 1.00 0.94 H new ATOM 0 HG22 THR A 3 -10.751 -10.823 1.632 1.00 0.94 H new ATOM 0 HG23 THR A 3 -12.521 -10.973 1.736 1.00 0.94 H new ATOM 37 N GLN A 4 -10.014 -7.924 2.530 1.00 0.39 N ATOM 38 CA GLN A 4 -8.708 -7.337 2.898 1.00 0.34 C ATOM 39 C GLN A 4 -7.565 -7.918 2.086 1.00 0.27 C ATOM 40 O GLN A 4 -6.660 -7.209 1.677 1.00 0.25 O ATOM 41 CB GLN A 4 -8.387 -7.505 4.380 1.00 0.47 C ATOM 42 CG GLN A 4 -9.321 -6.789 5.331 1.00 0.63 C ATOM 43 CD GLN A 4 -8.823 -6.835 6.771 1.00 0.81 C ATOM 44 OE1 GLN A 4 -9.082 -5.928 7.558 1.00 1.25 O ATOM 45 NE2 GLN A 4 -8.121 -7.877 7.134 1.00 1.20 N ATOM 0 H GLN A 4 -10.534 -8.310 3.318 1.00 0.39 H new ATOM 0 HA GLN A 4 -8.804 -6.275 2.674 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -8.398 -8.569 4.619 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -7.372 -7.149 4.557 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -9.429 -5.750 5.019 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -10.311 -7.243 5.276 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -7.920 -8.616 6.461 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -7.774 -7.950 8.091 1.00 1.20 H new ATOM 54 N GLU A 5 -7.653 -9.191 1.812 1.00 0.33 N ATOM 55 CA GLU A 5 -6.619 -9.918 1.080 1.00 0.37 C ATOM 56 C GLU A 5 -6.576 -9.456 -0.356 1.00 0.30 C ATOM 57 O GLU A 5 -5.541 -9.460 -0.985 1.00 0.32 O ATOM 58 CB GLU A 5 -6.852 -11.436 1.094 1.00 0.56 C ATOM 59 CG GLU A 5 -7.150 -12.047 2.452 1.00 0.85 C ATOM 60 CD GLU A 5 -8.585 -11.889 2.846 1.00 1.42 C ATOM 61 OE1 GLU A 5 -9.414 -12.739 2.486 1.00 1.67 O ATOM 62 OE2 GLU A 5 -8.906 -10.909 3.537 1.00 2.30 O ATOM 0 H GLU A 5 -8.447 -9.770 2.087 1.00 0.33 H new ATOM 0 HA GLU A 5 -5.674 -9.708 1.582 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -7.682 -11.663 0.425 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -5.968 -11.924 0.683 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -6.895 -13.107 2.434 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -6.516 -11.579 3.205 1.00 0.85 H new ATOM 69 N GLU A 6 -7.713 -9.020 -0.849 1.00 0.31 N ATOM 70 CA GLU A 6 -7.837 -8.558 -2.208 1.00 0.34 C ATOM 71 C GLU A 6 -7.135 -7.215 -2.317 1.00 0.25 C ATOM 72 O GLU A 6 -6.512 -6.888 -3.326 1.00 0.27 O ATOM 73 CB GLU A 6 -9.317 -8.402 -2.548 1.00 0.47 C ATOM 74 CG GLU A 6 -9.610 -8.199 -3.996 1.00 0.57 C ATOM 75 CD GLU A 6 -9.292 -9.431 -4.776 1.00 1.19 C ATOM 76 OE1 GLU A 6 -10.139 -10.342 -4.812 1.00 1.92 O ATOM 77 OE2 GLU A 6 -8.197 -9.516 -5.359 1.00 1.75 O ATOM 0 H GLU A 6 -8.580 -8.977 -0.314 1.00 0.31 H new ATOM 0 HA GLU A 6 -7.387 -9.269 -2.901 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.849 -9.289 -2.205 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.716 -7.555 -1.989 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -10.661 -7.941 -4.127 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -9.026 -7.361 -4.376 1.00 0.57 H new ATOM 84 N ILE A 7 -7.216 -6.472 -1.240 1.00 0.21 N ATOM 85 CA ILE A 7 -6.617 -5.181 -1.135 1.00 0.19 C ATOM 86 C ILE A 7 -5.108 -5.375 -1.018 1.00 0.18 C ATOM 87 O ILE A 7 -4.338 -4.794 -1.766 1.00 0.21 O ATOM 88 CB ILE A 7 -7.140 -4.481 0.123 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.671 -4.622 0.218 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.729 -3.020 0.107 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.300 -3.935 1.412 1.00 0.29 C ATOM 0 H ILE A 7 -7.713 -6.762 -0.398 1.00 0.21 H new ATOM 0 HA ILE A 7 -6.858 -4.573 -2.007 1.00 0.19 H new ATOM 0 HB ILE A 7 -6.704 -4.954 1.003 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -9.116 -4.218 -0.691 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -8.923 -5.682 0.253 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -7.104 -2.527 1.004 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.642 -2.948 0.081 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -7.146 -2.534 -0.775 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.379 -4.089 1.394 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -8.889 -4.353 2.331 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -9.085 -2.867 1.372 1.00 0.29 H new ATOM 103 N VAL A 8 -4.712 -6.203 -0.073 1.00 0.18 N ATOM 104 CA VAL A 8 -3.323 -6.575 0.132 1.00 0.20 C ATOM 105 C VAL A 8 -2.697 -7.088 -1.178 1.00 0.23 C ATOM 106 O VAL A 8 -1.603 -6.696 -1.527 1.00 0.26 O ATOM 107 CB VAL A 8 -3.208 -7.631 1.272 1.00 0.23 C ATOM 108 CG1 VAL A 8 -1.807 -8.212 1.352 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.575 -6.983 2.606 1.00 0.23 C ATOM 0 H VAL A 8 -5.354 -6.644 0.585 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.765 -5.690 0.437 1.00 0.20 H new ATOM 0 HB VAL A 8 -3.897 -8.446 1.052 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -1.762 -8.945 2.158 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.559 -8.696 0.407 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.092 -7.413 1.549 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.495 -7.722 3.404 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -2.895 -6.155 2.808 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.598 -6.609 2.560 1.00 0.23 H new ATOM 119 N ALA A 9 -3.429 -7.915 -1.912 1.00 0.24 N ATOM 120 CA ALA A 9 -2.972 -8.442 -3.203 1.00 0.28 C ATOM 121 C ALA A 9 -2.810 -7.329 -4.222 1.00 0.26 C ATOM 122 O ALA A 9 -1.855 -7.327 -5.007 1.00 0.29 O ATOM 123 CB ALA A 9 -3.939 -9.471 -3.735 1.00 0.32 C ATOM 0 H ALA A 9 -4.355 -8.242 -1.636 1.00 0.24 H new ATOM 0 HA ALA A 9 -2.003 -8.913 -3.038 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.579 -9.847 -4.693 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -4.018 -10.296 -3.027 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -4.919 -9.014 -3.870 1.00 0.32 H new ATOM 129 N GLY A 10 -3.736 -6.381 -4.198 1.00 0.24 N ATOM 130 CA GLY A 10 -3.675 -5.249 -5.083 1.00 0.25 C ATOM 131 C GLY A 10 -2.463 -4.425 -4.781 1.00 0.25 C ATOM 132 O GLY A 10 -1.762 -3.989 -5.677 1.00 0.31 O ATOM 0 H GLY A 10 -4.538 -6.383 -3.568 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.645 -5.588 -6.118 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.574 -4.642 -4.972 1.00 0.25 H new ATOM 136 N LEU A 11 -2.204 -4.239 -3.511 1.00 0.21 N ATOM 137 CA LEU A 11 -1.030 -3.535 -3.057 1.00 0.22 C ATOM 138 C LEU A 11 0.220 -4.310 -3.426 1.00 0.23 C ATOM 139 O LEU A 11 1.180 -3.743 -3.919 1.00 0.26 O ATOM 140 CB LEU A 11 -1.080 -3.319 -1.547 1.00 0.22 C ATOM 141 CG LEU A 11 -2.140 -2.351 -1.032 1.00 0.23 C ATOM 142 CD1 LEU A 11 -2.129 -2.325 0.482 1.00 0.28 C ATOM 143 CD2 LEU A 11 -1.890 -0.954 -1.579 1.00 0.29 C ATOM 0 H LEU A 11 -2.805 -4.574 -2.758 1.00 0.21 H new ATOM 0 HA LEU A 11 -1.005 -2.561 -3.547 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -1.240 -4.286 -1.069 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -0.104 -2.960 -1.221 1.00 0.22 H new ATOM 0 HG LEU A 11 -3.118 -2.691 -1.373 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -2.889 -1.631 0.840 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -2.341 -3.323 0.865 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -1.149 -2.002 0.833 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.654 -0.274 -1.203 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -0.907 -0.608 -1.259 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -1.929 -0.977 -2.668 1.00 0.29 H new ATOM 155 N ALA A 12 0.167 -5.613 -3.214 1.00 0.21 N ATOM 156 CA ALA A 12 1.264 -6.523 -3.489 1.00 0.22 C ATOM 157 C ALA A 12 1.736 -6.417 -4.921 1.00 0.23 C ATOM 158 O ALA A 12 2.935 -6.376 -5.173 1.00 0.24 O ATOM 159 CB ALA A 12 0.866 -7.953 -3.158 1.00 0.24 C ATOM 0 H ALA A 12 -0.659 -6.078 -2.837 1.00 0.21 H new ATOM 0 HA ALA A 12 2.098 -6.235 -2.850 1.00 0.22 H new ATOM 0 HB1 ALA A 12 1.700 -8.621 -3.370 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.605 -8.023 -2.102 1.00 0.24 H new ATOM 0 HB3 ALA A 12 0.007 -8.241 -3.764 1.00 0.24 H new ATOM 165 N GLU A 13 0.805 -6.339 -5.859 1.00 0.24 N ATOM 166 CA GLU A 13 1.196 -6.208 -7.259 1.00 0.28 C ATOM 167 C GLU A 13 1.826 -4.858 -7.574 1.00 0.25 C ATOM 168 O GLU A 13 2.766 -4.775 -8.379 1.00 0.33 O ATOM 169 CB GLU A 13 0.098 -6.570 -8.242 1.00 0.44 C ATOM 170 CG GLU A 13 -1.203 -5.853 -8.038 1.00 0.53 C ATOM 171 CD GLU A 13 -2.137 -6.074 -9.173 1.00 1.02 C ATOM 172 OE1 GLU A 13 -2.579 -7.217 -9.393 1.00 1.46 O ATOM 173 OE2 GLU A 13 -2.435 -5.103 -9.890 1.00 1.23 O ATOM 0 H GLU A 13 -0.200 -6.363 -5.687 1.00 0.24 H new ATOM 0 HA GLU A 13 1.973 -6.959 -7.400 1.00 0.28 H new ATOM 0 HB2 GLU A 13 0.454 -6.364 -9.252 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.083 -7.643 -8.181 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.667 -6.196 -7.113 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -1.016 -4.785 -7.923 1.00 0.53 H new ATOM 180 N ILE A 14 1.335 -3.829 -6.929 1.00 0.23 N ATOM 181 CA ILE A 14 1.884 -2.483 -7.046 1.00 0.25 C ATOM 182 C ILE A 14 3.315 -2.500 -6.533 1.00 0.22 C ATOM 183 O ILE A 14 4.243 -2.052 -7.205 1.00 0.22 O ATOM 184 CB ILE A 14 1.045 -1.529 -6.178 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.359 -1.443 -6.732 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.678 -0.147 -6.087 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.327 -0.796 -5.798 1.00 0.41 C ATOM 0 H ILE A 14 0.535 -3.893 -6.299 1.00 0.23 H new ATOM 0 HA ILE A 14 1.863 -2.151 -8.084 1.00 0.25 H new ATOM 0 HB ILE A 14 1.007 -1.930 -5.165 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -0.339 -0.884 -7.667 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.710 -2.447 -6.969 1.00 0.33 H new ATOM 0 HG21 ILE A 14 1.056 0.498 -5.466 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.671 -0.230 -5.644 1.00 0.36 H new ATOM 0 HG23 ILE A 14 1.761 0.282 -7.086 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.314 -0.768 -6.259 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.376 -1.368 -4.871 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -0.999 0.220 -5.580 1.00 0.41 H new ATOM 199 N VAL A 15 3.469 -3.029 -5.342 1.00 0.21 N ATOM 200 CA VAL A 15 4.751 -3.141 -4.688 1.00 0.19 C ATOM 201 C VAL A 15 5.702 -4.008 -5.505 1.00 0.18 C ATOM 202 O VAL A 15 6.850 -3.666 -5.667 1.00 0.22 O ATOM 203 CB VAL A 15 4.594 -3.709 -3.256 1.00 0.22 C ATOM 204 CG1 VAL A 15 5.931 -3.879 -2.563 1.00 0.23 C ATOM 205 CG2 VAL A 15 3.714 -2.806 -2.441 1.00 0.29 C ATOM 0 H VAL A 15 2.694 -3.400 -4.792 1.00 0.21 H new ATOM 0 HA VAL A 15 5.177 -2.141 -4.613 1.00 0.19 H new ATOM 0 HB VAL A 15 4.136 -4.695 -3.343 1.00 0.22 H new ATOM 0 HG11 VAL A 15 5.773 -4.280 -1.562 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.553 -4.567 -3.136 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.430 -2.912 -2.493 1.00 0.23 H new ATOM 0 HG21 VAL A 15 3.608 -3.212 -1.435 1.00 0.29 H new ATOM 0 HG22 VAL A 15 4.162 -1.814 -2.387 1.00 0.29 H new ATOM 0 HG23 VAL A 15 2.732 -2.736 -2.909 1.00 0.29 H new ATOM 215 N ASN A 16 5.218 -5.104 -6.033 1.00 0.17 N ATOM 216 CA ASN A 16 6.055 -5.996 -6.847 1.00 0.19 C ATOM 217 C ASN A 16 6.595 -5.250 -8.076 1.00 0.22 C ATOM 218 O ASN A 16 7.722 -5.474 -8.518 1.00 0.27 O ATOM 219 CB ASN A 16 5.259 -7.207 -7.320 1.00 0.23 C ATOM 220 CG ASN A 16 6.154 -8.336 -7.805 1.00 0.31 C ATOM 221 OD1 ASN A 16 5.847 -8.987 -8.808 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.158 -8.678 -7.019 1.00 0.29 N ATOM 0 H ASN A 16 4.252 -5.413 -5.923 1.00 0.17 H new ATOM 0 HA ASN A 16 6.884 -6.330 -6.224 1.00 0.19 H new ATOM 0 HB2 ASN A 16 4.633 -7.568 -6.504 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.590 -6.906 -8.126 1.00 0.23 H new ATOM 0 HD21 ASN A 16 7.712 -9.507 -7.232 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.379 -8.113 -6.199 1.00 0.29 H new ATOM 229 N GLU A 17 5.787 -4.338 -8.581 1.00 0.23 N ATOM 230 CA GLU A 17 6.124 -3.540 -9.737 1.00 0.29 C ATOM 231 C GLU A 17 7.067 -2.374 -9.366 1.00 0.30 C ATOM 232 O GLU A 17 8.229 -2.343 -9.766 1.00 0.44 O ATOM 233 CB GLU A 17 4.813 -3.007 -10.359 1.00 0.38 C ATOM 234 CG GLU A 17 4.983 -2.048 -11.521 1.00 0.63 C ATOM 235 CD GLU A 17 5.781 -2.633 -12.638 1.00 1.21 C ATOM 236 OE1 GLU A 17 5.232 -3.439 -13.413 1.00 1.48 O ATOM 237 OE2 GLU A 17 6.977 -2.304 -12.758 1.00 2.00 O ATOM 0 H GLU A 17 4.867 -4.130 -8.193 1.00 0.23 H new ATOM 0 HA GLU A 17 6.657 -4.159 -10.459 1.00 0.29 H new ATOM 0 HB2 GLU A 17 4.220 -3.857 -10.696 1.00 0.38 H new ATOM 0 HB3 GLU A 17 4.239 -2.507 -9.579 1.00 0.38 H new ATOM 0 HG2 GLU A 17 4.001 -1.758 -11.894 1.00 0.63 H new ATOM 0 HG3 GLU A 17 5.471 -1.139 -11.168 1.00 0.63 H new ATOM 244 N ILE A 18 6.570 -1.473 -8.558 1.00 0.23 N ATOM 245 CA ILE A 18 7.264 -0.240 -8.217 1.00 0.25 C ATOM 246 C ILE A 18 8.415 -0.494 -7.254 1.00 0.25 C ATOM 247 O ILE A 18 9.539 -0.078 -7.496 1.00 0.28 O ATOM 248 CB ILE A 18 6.261 0.752 -7.577 1.00 0.25 C ATOM 249 CG1 ILE A 18 5.128 1.026 -8.564 1.00 0.27 C ATOM 250 CG2 ILE A 18 6.965 2.055 -7.211 1.00 0.28 C ATOM 251 CD1 ILE A 18 3.975 1.802 -7.998 1.00 0.28 C ATOM 0 H ILE A 18 5.660 -1.569 -8.108 1.00 0.23 H new ATOM 0 HA ILE A 18 7.679 0.182 -9.132 1.00 0.25 H new ATOM 0 HB ILE A 18 5.853 0.315 -6.666 1.00 0.25 H new ATOM 0 HG12 ILE A 18 5.532 1.572 -9.417 1.00 0.27 H new ATOM 0 HG13 ILE A 18 4.756 0.074 -8.942 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.248 2.742 -6.762 1.00 0.28 H new ATOM 0 HG22 ILE A 18 7.764 1.849 -6.499 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.386 2.506 -8.110 1.00 0.28 H new ATOM 0 HD11 ILE A 18 3.220 1.948 -8.771 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.539 1.251 -7.165 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.327 2.772 -7.647 1.00 0.28 H new ATOM 263 N ALA A 19 8.118 -1.168 -6.174 1.00 0.23 N ATOM 264 CA ALA A 19 9.088 -1.415 -5.132 1.00 0.26 C ATOM 265 C ALA A 19 10.043 -2.547 -5.515 1.00 0.26 C ATOM 266 O ALA A 19 11.234 -2.494 -5.227 1.00 0.34 O ATOM 267 CB ALA A 19 8.365 -1.754 -3.840 1.00 0.28 C ATOM 0 H ALA A 19 7.196 -1.563 -5.989 1.00 0.23 H new ATOM 0 HA ALA A 19 9.684 -0.513 -4.994 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.095 -1.941 -3.053 1.00 0.28 H new ATOM 0 HB2 ALA A 19 7.725 -0.920 -3.551 1.00 0.28 H new ATOM 0 HB3 ALA A 19 7.755 -2.645 -3.988 1.00 0.28 H new ATOM 273 N GLY A 20 9.504 -3.555 -6.174 1.00 0.23 N ATOM 274 CA GLY A 20 10.279 -4.720 -6.547 1.00 0.26 C ATOM 275 C GLY A 20 10.338 -5.702 -5.408 1.00 0.29 C ATOM 276 O GLY A 20 11.345 -6.400 -5.205 1.00 0.46 O ATOM 0 H GLY A 20 8.526 -3.589 -6.463 1.00 0.23 H new ATOM 0 HA2 GLY A 20 9.834 -5.195 -7.421 1.00 0.26 H new ATOM 0 HA3 GLY A 20 11.288 -4.418 -6.827 1.00 0.26 H new ATOM 280 N ILE A 21 9.274 -5.736 -4.644 1.00 0.27 N ATOM 281 CA ILE A 21 9.175 -6.610 -3.506 1.00 0.30 C ATOM 282 C ILE A 21 8.107 -7.669 -3.794 1.00 0.28 C ATOM 283 O ILE A 21 7.051 -7.337 -4.323 1.00 0.28 O ATOM 284 CB ILE A 21 8.802 -5.816 -2.206 1.00 0.32 C ATOM 285 CG1 ILE A 21 9.821 -4.690 -1.917 1.00 0.37 C ATOM 286 CG2 ILE A 21 8.685 -6.743 -0.999 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.245 -5.164 -1.675 1.00 0.42 C ATOM 0 H ILE A 21 8.450 -5.155 -4.797 1.00 0.27 H new ATOM 0 HA ILE A 21 10.143 -7.082 -3.338 1.00 0.30 H new ATOM 0 HB ILE A 21 7.828 -5.359 -2.383 1.00 0.32 H new ATOM 0 HG12 ILE A 21 9.822 -3.996 -2.758 1.00 0.37 H new ATOM 0 HG13 ILE A 21 9.486 -4.132 -1.043 1.00 0.37 H new ATOM 0 HG21 ILE A 21 8.426 -6.159 -0.116 1.00 0.36 H new ATOM 0 HG22 ILE A 21 7.909 -7.485 -1.184 1.00 0.36 H new ATOM 0 HG23 ILE A 21 9.637 -7.247 -0.834 1.00 0.36 H new ATOM 0 HD11 ILE A 21 11.887 -4.304 -1.481 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.265 -5.833 -0.815 1.00 0.42 H new ATOM 0 HD13 ILE A 21 11.606 -5.695 -2.556 1.00 0.42 H new ATOM 299 N PRO A 22 8.438 -8.950 -3.558 1.00 0.31 N ATOM 300 CA PRO A 22 7.545 -10.102 -3.682 1.00 0.34 C ATOM 301 C PRO A 22 6.100 -9.847 -3.293 1.00 0.30 C ATOM 302 O PRO A 22 5.809 -9.377 -2.186 1.00 0.28 O ATOM 303 CB PRO A 22 8.172 -11.120 -2.706 1.00 0.39 C ATOM 304 CG PRO A 22 9.444 -10.497 -2.229 1.00 0.41 C ATOM 305 CD PRO A 22 9.757 -9.415 -3.193 1.00 0.36 C ATOM 0 HA PRO A 22 7.476 -10.418 -4.723 1.00 0.34 H new ATOM 0 HB2 PRO A 22 7.501 -11.327 -1.872 1.00 0.39 H new ATOM 0 HB3 PRO A 22 8.365 -12.071 -3.203 1.00 0.39 H new ATOM 0 HG2 PRO A 22 9.329 -10.100 -1.221 1.00 0.41 H new ATOM 0 HG3 PRO A 22 10.248 -11.232 -2.193 1.00 0.41 H new ATOM 0 HD2 PRO A 22 10.357 -8.626 -2.740 1.00 0.36 H new ATOM 0 HD3 PRO A 22 10.313 -9.784 -4.055 1.00 0.36 H new ATOM 313 N VAL A 23 5.203 -10.217 -4.206 1.00 0.31 N ATOM 314 CA VAL A 23 3.753 -10.146 -4.022 1.00 0.29 C ATOM 315 C VAL A 23 3.386 -10.941 -2.788 1.00 0.29 C ATOM 316 O VAL A 23 2.475 -10.593 -2.040 1.00 0.42 O ATOM 317 CB VAL A 23 3.007 -10.775 -5.257 1.00 0.36 C ATOM 318 CG1 VAL A 23 1.494 -10.822 -5.063 1.00 0.69 C ATOM 319 CG2 VAL A 23 3.330 -10.021 -6.526 1.00 0.41 C ATOM 0 H VAL A 23 5.471 -10.584 -5.119 1.00 0.31 H new ATOM 0 HA VAL A 23 3.459 -9.101 -3.920 1.00 0.29 H new ATOM 0 HB VAL A 23 3.366 -11.801 -5.342 1.00 0.36 H new ATOM 0 HG11 VAL A 23 1.028 -11.264 -5.943 1.00 0.69 H new ATOM 0 HG12 VAL A 23 1.258 -11.425 -4.186 1.00 0.69 H new ATOM 0 HG13 VAL A 23 1.114 -9.810 -4.921 1.00 0.69 H new ATOM 0 HG21 VAL A 23 2.802 -10.476 -7.364 1.00 0.41 H new ATOM 0 HG22 VAL A 23 3.018 -8.982 -6.421 1.00 0.41 H new ATOM 0 HG23 VAL A 23 4.404 -10.060 -6.709 1.00 0.41 H new ATOM 329 N GLU A 24 4.135 -11.981 -2.558 1.00 0.31 N ATOM 330 CA GLU A 24 3.852 -12.836 -1.459 1.00 0.36 C ATOM 331 C GLU A 24 4.471 -12.366 -0.146 1.00 0.35 C ATOM 332 O GLU A 24 3.964 -12.691 0.924 1.00 0.48 O ATOM 333 CB GLU A 24 4.092 -14.340 -1.727 1.00 0.55 C ATOM 334 CG GLU A 24 5.477 -14.727 -2.242 1.00 1.41 C ATOM 335 CD GLU A 24 5.696 -14.342 -3.683 1.00 1.82 C ATOM 336 OE1 GLU A 24 5.297 -15.105 -4.581 1.00 2.34 O ATOM 337 OE2 GLU A 24 6.259 -13.273 -3.945 1.00 2.01 O ATOM 0 H GLU A 24 4.943 -12.251 -3.119 1.00 0.31 H new ATOM 0 HA GLU A 24 2.773 -12.747 -1.337 1.00 0.36 H new ATOM 0 HB2 GLU A 24 3.907 -14.885 -0.801 1.00 0.55 H new ATOM 0 HB3 GLU A 24 3.351 -14.680 -2.451 1.00 0.55 H new ATOM 0 HG2 GLU A 24 6.236 -14.248 -1.624 1.00 1.41 H new ATOM 0 HG3 GLU A 24 5.611 -15.803 -2.134 1.00 1.41 H new ATOM 344 N ASP A 25 5.537 -11.583 -0.210 1.00 0.30 N ATOM 345 CA ASP A 25 6.157 -11.085 1.030 1.00 0.32 C ATOM 346 C ASP A 25 5.384 -9.883 1.521 1.00 0.29 C ATOM 347 O ASP A 25 5.473 -9.481 2.678 1.00 0.32 O ATOM 348 CB ASP A 25 7.634 -10.753 0.850 1.00 0.38 C ATOM 349 CG ASP A 25 8.328 -10.409 2.160 1.00 0.46 C ATOM 350 OD1 ASP A 25 7.997 -11.014 3.219 1.00 0.69 O ATOM 351 OD2 ASP A 25 9.259 -9.588 2.144 1.00 0.53 O ATOM 0 H ASP A 25 5.987 -11.280 -1.074 1.00 0.30 H new ATOM 0 HA ASP A 25 6.114 -11.878 1.776 1.00 0.32 H new ATOM 0 HB2 ASP A 25 8.139 -11.602 0.390 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.731 -9.913 0.162 1.00 0.38 H new ATOM 356 N VAL A 26 4.597 -9.340 0.632 1.00 0.27 N ATOM 357 CA VAL A 26 3.668 -8.288 0.941 1.00 0.27 C ATOM 358 C VAL A 26 2.469 -8.917 1.649 1.00 0.29 C ATOM 359 O VAL A 26 1.473 -9.314 1.047 1.00 0.37 O ATOM 360 CB VAL A 26 3.263 -7.491 -0.333 1.00 0.29 C ATOM 361 CG1 VAL A 26 2.107 -6.547 -0.060 1.00 0.40 C ATOM 362 CG2 VAL A 26 4.450 -6.675 -0.809 1.00 0.38 C ATOM 0 H VAL A 26 4.584 -9.623 -0.348 1.00 0.27 H new ATOM 0 HA VAL A 26 4.130 -7.555 1.602 1.00 0.27 H new ATOM 0 HB VAL A 26 2.952 -8.209 -1.092 1.00 0.29 H new ATOM 0 HG11 VAL A 26 1.853 -6.009 -0.973 1.00 0.40 H new ATOM 0 HG12 VAL A 26 1.242 -7.119 0.276 1.00 0.40 H new ATOM 0 HG13 VAL A 26 2.394 -5.835 0.713 1.00 0.40 H new ATOM 0 HG21 VAL A 26 4.172 -6.115 -1.702 1.00 0.38 H new ATOM 0 HG22 VAL A 26 4.753 -5.981 -0.025 1.00 0.38 H new ATOM 0 HG23 VAL A 26 5.280 -7.342 -1.043 1.00 0.38 H new ATOM 372 N LYS A 27 2.710 -9.174 2.898 1.00 0.33 N ATOM 373 CA LYS A 27 1.779 -9.765 3.823 1.00 0.38 C ATOM 374 C LYS A 27 0.915 -8.665 4.404 1.00 0.43 C ATOM 375 O LYS A 27 0.474 -7.794 3.680 1.00 0.98 O ATOM 376 CB LYS A 27 2.604 -10.458 4.903 1.00 0.57 C ATOM 377 CG LYS A 27 3.550 -11.534 4.381 1.00 0.47 C ATOM 378 CD LYS A 27 4.448 -12.018 5.495 1.00 0.96 C ATOM 379 CE LYS A 27 5.330 -13.191 5.090 1.00 1.16 C ATOM 380 NZ LYS A 27 6.299 -12.893 4.007 1.00 1.67 N ATOM 0 H LYS A 27 3.611 -8.967 3.328 1.00 0.33 H new ATOM 0 HA LYS A 27 1.122 -10.492 3.345 1.00 0.38 H new ATOM 0 HB2 LYS A 27 3.187 -9.707 5.436 1.00 0.57 H new ATOM 0 HB3 LYS A 27 1.926 -10.908 5.628 1.00 0.57 H new ATOM 0 HG2 LYS A 27 2.977 -12.368 3.976 1.00 0.47 H new ATOM 0 HG3 LYS A 27 4.152 -11.135 3.565 1.00 0.47 H new ATOM 0 HD2 LYS A 27 5.080 -11.194 5.827 1.00 0.96 H new ATOM 0 HD3 LYS A 27 3.834 -12.311 6.346 1.00 0.96 H new ATOM 0 HE2 LYS A 27 5.880 -13.534 5.966 1.00 1.16 H new ATOM 0 HE3 LYS A 27 4.692 -14.015 4.771 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 7.178 -13.424 4.172 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 5.892 -13.171 3.091 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 6.507 -11.874 3.998 1.00 1.67 H new ATOM 394 N LEU A 28 0.653 -8.697 5.686 1.00 0.37 N ATOM 395 CA LEU A 28 -0.171 -7.675 6.271 1.00 0.37 C ATOM 396 C LEU A 28 0.586 -6.936 7.399 1.00 0.41 C ATOM 397 O LEU A 28 0.306 -5.774 7.705 1.00 0.55 O ATOM 398 CB LEU A 28 -1.474 -8.314 6.727 1.00 0.51 C ATOM 399 CG LEU A 28 -2.627 -7.383 7.027 1.00 0.47 C ATOM 400 CD1 LEU A 28 -3.919 -8.118 6.810 1.00 1.08 C ATOM 401 CD2 LEU A 28 -2.582 -6.856 8.454 1.00 0.99 C ATOM 0 H LEU A 28 0.993 -9.408 6.334 1.00 0.37 H new ATOM 0 HA LEU A 28 -0.414 -6.906 5.538 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -1.796 -9.014 5.956 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.269 -8.899 7.624 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.550 -6.527 6.356 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -4.756 -7.454 7.024 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -3.978 -8.453 5.774 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -3.962 -8.982 7.474 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -3.429 -6.192 8.623 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -2.631 -7.692 9.152 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.654 -6.307 8.610 1.00 0.99 H new ATOM 413 N ASP A 29 1.616 -7.578 7.901 1.00 0.41 N ATOM 414 CA ASP A 29 2.452 -7.072 9.011 1.00 0.51 C ATOM 415 C ASP A 29 3.631 -6.272 8.451 1.00 0.45 C ATOM 416 O ASP A 29 4.438 -5.675 9.167 1.00 0.63 O ATOM 417 CB ASP A 29 2.961 -8.296 9.806 1.00 0.66 C ATOM 418 CG ASP A 29 3.936 -7.970 10.914 1.00 1.43 C ATOM 419 OD1 ASP A 29 3.502 -7.536 12.002 1.00 1.81 O ATOM 420 OD2 ASP A 29 5.158 -8.173 10.723 1.00 2.11 O ATOM 0 H ASP A 29 1.918 -8.488 7.554 1.00 0.41 H new ATOM 0 HA ASP A 29 1.876 -6.413 9.660 1.00 0.51 H new ATOM 0 HB2 ASP A 29 2.104 -8.815 10.236 1.00 0.66 H new ATOM 0 HB3 ASP A 29 3.438 -8.989 9.113 1.00 0.66 H new ATOM 425 N LYS A 30 3.675 -6.217 7.161 1.00 0.31 N ATOM 426 CA LYS A 30 4.796 -5.634 6.460 1.00 0.30 C ATOM 427 C LYS A 30 4.715 -4.132 6.285 1.00 0.28 C ATOM 428 O LYS A 30 3.879 -3.613 5.546 1.00 0.35 O ATOM 429 CB LYS A 30 4.970 -6.303 5.118 1.00 0.33 C ATOM 430 CG LYS A 30 5.470 -7.719 5.210 1.00 0.37 C ATOM 431 CD LYS A 30 6.887 -7.745 5.740 1.00 0.38 C ATOM 432 CE LYS A 30 7.452 -9.146 5.748 1.00 0.48 C ATOM 433 NZ LYS A 30 8.879 -9.157 6.102 1.00 1.02 N ATOM 0 H LYS A 30 2.938 -6.573 6.552 1.00 0.31 H new ATOM 0 HA LYS A 30 5.666 -5.811 7.093 1.00 0.30 H new ATOM 0 HB2 LYS A 30 4.015 -6.297 4.592 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.668 -5.719 4.518 1.00 0.33 H new ATOM 0 HG2 LYS A 30 4.820 -8.299 5.864 1.00 0.37 H new ATOM 0 HG3 LYS A 30 5.434 -8.189 4.227 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.517 -7.101 5.127 1.00 0.38 H new ATOM 0 HD3 LYS A 30 6.905 -7.339 6.751 1.00 0.38 H new ATOM 0 HE2 LYS A 30 6.896 -9.758 6.459 1.00 0.48 H new ATOM 0 HE3 LYS A 30 7.318 -9.598 4.765 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 9.431 -9.539 5.307 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 9.193 -8.187 6.308 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 9.024 -9.753 6.942 1.00 1.02 H new ATOM 447 N SER A 31 5.551 -3.441 6.975 1.00 0.26 N ATOM 448 CA SER A 31 5.711 -2.053 6.776 1.00 0.28 C ATOM 449 C SER A 31 6.513 -1.863 5.483 1.00 0.43 C ATOM 450 O SER A 31 7.666 -2.282 5.423 1.00 1.05 O ATOM 451 CB SER A 31 6.496 -1.528 7.949 1.00 0.28 C ATOM 452 OG SER A 31 6.032 -2.128 9.144 1.00 1.16 O ATOM 0 H SER A 31 6.149 -3.833 7.702 1.00 0.26 H new ATOM 0 HA SER A 31 4.758 -1.530 6.697 1.00 0.28 H new ATOM 0 HB2 SER A 31 7.556 -1.740 7.813 1.00 0.28 H new ATOM 0 HB3 SER A 31 6.393 -0.445 8.012 1.00 0.28 H new ATOM 0 HG SER A 31 6.547 -1.785 9.904 1.00 1.16 H new ATOM 458 N PHE A 32 5.867 -1.356 4.438 1.00 0.26 N ATOM 459 CA PHE A 32 6.510 -1.076 3.127 1.00 0.25 C ATOM 460 C PHE A 32 7.962 -0.559 3.234 1.00 0.26 C ATOM 461 O PHE A 32 8.908 -1.320 3.074 1.00 0.32 O ATOM 462 CB PHE A 32 5.718 -0.066 2.325 1.00 0.32 C ATOM 463 CG PHE A 32 4.326 -0.461 1.971 1.00 0.26 C ATOM 464 CD1 PHE A 32 4.082 -1.118 0.796 1.00 0.33 C ATOM 465 CD2 PHE A 32 3.262 -0.145 2.792 1.00 0.26 C ATOM 466 CE1 PHE A 32 2.791 -1.460 0.435 1.00 0.36 C ATOM 467 CE2 PHE A 32 1.972 -0.486 2.442 1.00 0.28 C ATOM 468 CZ PHE A 32 1.736 -1.142 1.259 1.00 0.32 C ATOM 0 H PHE A 32 4.875 -1.121 4.461 1.00 0.26 H new ATOM 0 HA PHE A 32 6.529 -2.044 2.626 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.678 0.866 2.889 1.00 0.32 H new ATOM 0 HB3 PHE A 32 6.261 0.143 1.403 1.00 0.32 H new ATOM 0 HD1 PHE A 32 4.905 -1.372 0.144 1.00 0.33 H new ATOM 0 HD2 PHE A 32 3.442 0.376 3.721 1.00 0.26 H new ATOM 0 HE1 PHE A 32 2.611 -1.978 -0.496 1.00 0.36 H new ATOM 0 HE2 PHE A 32 1.150 -0.238 3.097 1.00 0.28 H new ATOM 0 HZ PHE A 32 0.728 -1.407 0.977 1.00 0.32 H new ATOM 478 N THR A 33 8.135 0.707 3.501 1.00 0.27 N ATOM 479 CA THR A 33 9.454 1.301 3.616 1.00 0.31 C ATOM 480 C THR A 33 10.124 1.122 4.982 1.00 0.33 C ATOM 481 O THR A 33 10.832 2.013 5.442 1.00 0.47 O ATOM 482 CB THR A 33 9.350 2.770 3.285 1.00 0.37 C ATOM 483 OG1 THR A 33 7.981 3.176 3.464 1.00 0.47 O ATOM 484 CG2 THR A 33 9.771 3.000 1.867 1.00 0.39 C ATOM 0 H THR A 33 7.368 1.364 3.647 1.00 0.27 H new ATOM 0 HA THR A 33 10.095 0.771 2.912 1.00 0.31 H new ATOM 0 HB THR A 33 10.001 3.352 3.938 1.00 0.37 H new ATOM 0 HG1 THR A 33 7.727 3.064 4.404 1.00 0.47 H new ATOM 0 HG21 THR A 33 9.694 4.062 1.632 1.00 0.39 H new ATOM 0 HG22 THR A 33 10.803 2.673 1.736 1.00 0.39 H new ATOM 0 HG23 THR A 33 9.123 2.433 1.199 1.00 0.39 H new ATOM 492 N ASP A 34 9.989 -0.046 5.576 1.00 0.34 N ATOM 493 CA ASP A 34 10.610 -0.283 6.870 1.00 0.39 C ATOM 494 C ASP A 34 10.875 -1.760 7.119 1.00 0.42 C ATOM 495 O ASP A 34 11.964 -2.133 7.531 1.00 0.57 O ATOM 496 CB ASP A 34 9.781 0.341 7.993 1.00 0.43 C ATOM 497 CG ASP A 34 10.382 0.128 9.365 1.00 0.59 C ATOM 498 OD1 ASP A 34 11.523 0.543 9.591 1.00 0.72 O ATOM 499 OD2 ASP A 34 9.735 -0.516 10.226 1.00 0.73 O ATOM 0 H ASP A 34 9.466 -0.835 5.195 1.00 0.34 H new ATOM 0 HA ASP A 34 11.584 0.207 6.859 1.00 0.39 H new ATOM 0 HB2 ASP A 34 9.679 1.411 7.810 1.00 0.43 H new ATOM 0 HB3 ASP A 34 8.777 -0.083 7.973 1.00 0.43 H new ATOM 504 N ASP A 35 9.895 -2.599 6.848 1.00 0.36 N ATOM 505 CA ASP A 35 10.070 -4.045 7.017 1.00 0.43 C ATOM 506 C ASP A 35 10.448 -4.638 5.662 1.00 0.44 C ATOM 507 O ASP A 35 11.444 -5.346 5.535 1.00 0.58 O ATOM 508 CB ASP A 35 8.776 -4.717 7.524 1.00 0.48 C ATOM 509 CG ASP A 35 9.033 -6.073 8.168 1.00 0.95 C ATOM 510 OD1 ASP A 35 9.448 -7.014 7.456 1.00 1.34 O ATOM 511 OD2 ASP A 35 8.813 -6.228 9.373 1.00 1.46 O ATOM 0 H ASP A 35 8.974 -2.317 6.512 1.00 0.36 H new ATOM 0 HA ASP A 35 10.850 -4.223 7.758 1.00 0.43 H new ATOM 0 HB2 ASP A 35 8.290 -4.062 8.247 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.084 -4.840 6.691 1.00 0.48 H new ATOM 516 N LEU A 36 9.654 -4.295 4.637 1.00 0.36 N ATOM 517 CA LEU A 36 9.914 -4.751 3.262 1.00 0.39 C ATOM 518 C LEU A 36 11.167 -4.076 2.746 1.00 0.46 C ATOM 519 O LEU A 36 12.049 -4.721 2.192 1.00 0.58 O ATOM 520 CB LEU A 36 8.730 -4.415 2.339 1.00 0.35 C ATOM 521 CG LEU A 36 7.405 -5.120 2.626 1.00 0.33 C ATOM 522 CD1 LEU A 36 6.307 -4.555 1.742 1.00 0.35 C ATOM 523 CD2 LEU A 36 7.541 -6.614 2.387 1.00 0.34 C ATOM 0 H LEU A 36 8.828 -3.705 4.733 1.00 0.36 H new ATOM 0 HA LEU A 36 10.046 -5.833 3.269 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.559 -3.340 2.386 1.00 0.35 H new ATOM 0 HB3 LEU A 36 9.022 -4.647 1.315 1.00 0.35 H new ATOM 0 HG LEU A 36 7.142 -4.951 3.670 1.00 0.33 H new ATOM 0 HD11 LEU A 36 5.368 -5.066 1.956 1.00 0.35 H new ATOM 0 HD12 LEU A 36 6.193 -3.489 1.939 1.00 0.35 H new ATOM 0 HD13 LEU A 36 6.570 -4.704 0.695 1.00 0.35 H new ATOM 0 HD21 LEU A 36 6.590 -7.104 2.595 1.00 0.34 H new ATOM 0 HD22 LEU A 36 7.821 -6.792 1.349 1.00 0.34 H new ATOM 0 HD23 LEU A 36 8.310 -7.019 3.045 1.00 0.34 H new ATOM 535 N ASP A 37 11.200 -2.759 2.922 1.00 0.41 N ATOM 536 CA ASP A 37 12.341 -1.908 2.606 1.00 0.52 C ATOM 537 C ASP A 37 12.574 -1.769 1.123 1.00 0.63 C ATOM 538 O ASP A 37 13.339 -2.507 0.521 1.00 0.85 O ATOM 539 CB ASP A 37 13.627 -2.324 3.349 1.00 0.75 C ATOM 540 CG ASP A 37 14.832 -1.467 2.987 1.00 0.91 C ATOM 541 OD1 ASP A 37 14.839 -0.258 3.303 1.00 1.02 O ATOM 542 OD2 ASP A 37 15.816 -1.997 2.406 1.00 1.14 O ATOM 0 H ASP A 37 10.408 -2.239 3.300 1.00 0.41 H new ATOM 0 HA ASP A 37 12.073 -0.919 2.977 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.455 -2.262 4.423 1.00 0.75 H new ATOM 0 HB3 ASP A 37 13.849 -3.367 3.122 1.00 0.75 H new ATOM 547 N VAL A 38 11.835 -0.888 0.522 1.00 0.56 N ATOM 548 CA VAL A 38 12.057 -0.557 -0.853 1.00 0.80 C ATOM 549 C VAL A 38 12.999 0.657 -0.947 1.00 0.70 C ATOM 550 O VAL A 38 14.221 0.488 -1.032 1.00 0.96 O ATOM 551 CB VAL A 38 10.706 -0.371 -1.633 1.00 1.06 C ATOM 552 CG1 VAL A 38 9.650 0.408 -0.826 1.00 0.89 C ATOM 553 CG2 VAL A 38 10.949 0.279 -3.001 1.00 1.79 C ATOM 0 H VAL A 38 11.068 -0.382 0.965 1.00 0.56 H new ATOM 0 HA VAL A 38 12.554 -1.390 -1.350 1.00 0.80 H new ATOM 0 HB VAL A 38 10.297 -1.369 -1.791 1.00 1.06 H new ATOM 0 HG11 VAL A 38 8.739 0.505 -1.417 1.00 0.89 H new ATOM 0 HG12 VAL A 38 9.429 -0.128 0.097 1.00 0.89 H new ATOM 0 HG13 VAL A 38 10.034 1.400 -0.586 1.00 0.89 H new ATOM 0 HG21 VAL A 38 9.999 0.397 -3.522 1.00 1.79 H new ATOM 0 HG22 VAL A 38 11.411 1.257 -2.862 1.00 1.79 H new ATOM 0 HG23 VAL A 38 11.610 -0.354 -3.592 1.00 1.79 H new ATOM 563 N ASP A 39 12.441 1.839 -0.904 1.00 0.50 N ATOM 564 CA ASP A 39 13.149 3.075 -0.929 1.00 0.50 C ATOM 565 C ASP A 39 12.110 4.124 -0.701 1.00 0.53 C ATOM 566 O ASP A 39 10.913 3.835 -0.782 1.00 0.78 O ATOM 567 CB ASP A 39 13.823 3.345 -2.269 1.00 0.56 C ATOM 568 CG ASP A 39 14.858 4.441 -2.180 1.00 0.66 C ATOM 569 OD1 ASP A 39 16.052 4.139 -1.905 1.00 0.79 O ATOM 570 OD2 ASP A 39 14.518 5.615 -2.409 1.00 0.69 O ATOM 0 H ASP A 39 11.430 1.962 -0.848 1.00 0.50 H new ATOM 0 HA ASP A 39 13.941 3.063 -0.180 1.00 0.50 H new ATOM 0 HB2 ASP A 39 14.296 2.430 -2.626 1.00 0.56 H new ATOM 0 HB3 ASP A 39 13.067 3.621 -3.004 1.00 0.56 H new ATOM 575 N SER A 40 12.539 5.297 -0.558 1.00 0.59 N ATOM 576 CA SER A 40 11.737 6.392 -0.159 1.00 0.68 C ATOM 577 C SER A 40 11.039 7.025 -1.378 1.00 0.64 C ATOM 578 O SER A 40 9.947 7.569 -1.271 1.00 0.71 O ATOM 579 CB SER A 40 12.669 7.369 0.552 1.00 0.90 C ATOM 580 OG SER A 40 11.975 8.516 1.050 1.00 1.23 O ATOM 0 H SER A 40 13.513 5.551 -0.722 1.00 0.59 H new ATOM 0 HA SER A 40 10.935 6.085 0.513 1.00 0.68 H new ATOM 0 HB2 SER A 40 13.164 6.859 1.379 1.00 0.90 H new ATOM 0 HB3 SER A 40 13.450 7.690 -0.138 1.00 0.90 H new ATOM 0 HG SER A 40 12.610 9.113 1.499 1.00 1.23 H new ATOM 585 N LEU A 41 11.634 6.875 -2.535 1.00 0.60 N ATOM 586 CA LEU A 41 11.110 7.526 -3.732 1.00 0.64 C ATOM 587 C LEU A 41 9.959 6.753 -4.334 1.00 0.54 C ATOM 588 O LEU A 41 8.921 7.328 -4.687 1.00 0.60 O ATOM 589 CB LEU A 41 12.207 7.732 -4.778 1.00 0.75 C ATOM 590 CG LEU A 41 13.398 8.579 -4.340 1.00 0.89 C ATOM 591 CD1 LEU A 41 14.334 8.825 -5.503 1.00 1.02 C ATOM 592 CD2 LEU A 41 12.933 9.889 -3.750 1.00 1.02 C ATOM 0 H LEU A 41 12.474 6.316 -2.684 1.00 0.60 H new ATOM 0 HA LEU A 41 10.737 8.502 -3.421 1.00 0.64 H new ATOM 0 HB2 LEU A 41 12.576 6.754 -5.086 1.00 0.75 H new ATOM 0 HB3 LEU A 41 11.760 8.196 -5.657 1.00 0.75 H new ATOM 0 HG LEU A 41 13.941 8.030 -3.571 1.00 0.89 H new ATOM 0 HD11 LEU A 41 15.177 9.431 -5.170 1.00 1.02 H new ATOM 0 HD12 LEU A 41 14.700 7.871 -5.883 1.00 1.02 H new ATOM 0 HD13 LEU A 41 13.800 9.350 -6.295 1.00 1.02 H new ATOM 0 HD21 LEU A 41 13.798 10.478 -3.444 1.00 1.02 H new ATOM 0 HD22 LEU A 41 12.363 10.442 -4.496 1.00 1.02 H new ATOM 0 HD23 LEU A 41 12.302 9.694 -2.883 1.00 1.02 H new ATOM 604 N SER A 42 10.116 5.453 -4.389 1.00 0.43 N ATOM 605 CA SER A 42 9.173 4.552 -5.013 1.00 0.38 C ATOM 606 C SER A 42 7.855 4.532 -4.231 1.00 0.30 C ATOM 607 O SER A 42 6.794 4.211 -4.763 1.00 0.33 O ATOM 608 CB SER A 42 9.815 3.185 -4.974 1.00 0.39 C ATOM 609 OG SER A 42 11.232 3.346 -4.902 1.00 1.02 O ATOM 0 H SER A 42 10.925 4.977 -3.990 1.00 0.43 H new ATOM 0 HA SER A 42 8.944 4.863 -6.032 1.00 0.38 H new ATOM 0 HB2 SER A 42 9.454 2.623 -4.113 1.00 0.39 H new ATOM 0 HB3 SER A 42 9.544 2.615 -5.863 1.00 0.39 H new ATOM 0 HG SER A 42 11.660 2.465 -4.874 1.00 1.02 H new ATOM 615 N MET A 43 7.954 4.920 -2.976 1.00 0.26 N ATOM 616 CA MET A 43 6.854 4.935 -2.045 1.00 0.26 C ATOM 617 C MET A 43 5.663 5.773 -2.534 1.00 0.25 C ATOM 618 O MET A 43 4.517 5.346 -2.431 1.00 0.26 O ATOM 619 CB MET A 43 7.357 5.438 -0.703 1.00 0.35 C ATOM 620 CG MET A 43 6.301 5.497 0.369 1.00 0.48 C ATOM 621 SD MET A 43 5.292 4.004 0.426 1.00 0.55 S ATOM 622 CE MET A 43 6.547 2.758 0.564 1.00 0.52 C ATOM 0 H MET A 43 8.831 5.243 -2.567 1.00 0.26 H new ATOM 0 HA MET A 43 6.479 3.916 -1.950 1.00 0.26 H new ATOM 0 HB2 MET A 43 8.166 4.791 -0.365 1.00 0.35 H new ATOM 0 HB3 MET A 43 7.780 6.434 -0.836 1.00 0.35 H new ATOM 0 HG2 MET A 43 6.779 5.646 1.337 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.658 6.360 0.194 1.00 0.48 H new ATOM 0 HE1 MET A 43 6.333 1.947 -0.132 1.00 0.52 H new ATOM 0 HE2 MET A 43 7.518 3.192 0.327 1.00 0.52 H new ATOM 0 HE3 MET A 43 6.562 2.368 1.582 1.00 0.52 H new ATOM 632 N VAL A 44 5.936 6.924 -3.127 1.00 0.29 N ATOM 633 CA VAL A 44 4.865 7.811 -3.567 1.00 0.33 C ATOM 634 C VAL A 44 4.108 7.201 -4.731 1.00 0.26 C ATOM 635 O VAL A 44 2.901 7.391 -4.865 1.00 0.28 O ATOM 636 CB VAL A 44 5.382 9.225 -3.936 1.00 0.47 C ATOM 637 CG1 VAL A 44 4.236 10.151 -4.332 1.00 0.55 C ATOM 638 CG2 VAL A 44 6.134 9.813 -2.774 1.00 0.56 C ATOM 0 H VAL A 44 6.879 7.266 -3.314 1.00 0.29 H new ATOM 0 HA VAL A 44 4.184 7.929 -2.724 1.00 0.33 H new ATOM 0 HB VAL A 44 6.049 9.127 -4.793 1.00 0.47 H new ATOM 0 HG11 VAL A 44 4.633 11.134 -4.585 1.00 0.55 H new ATOM 0 HG12 VAL A 44 3.716 9.737 -5.196 1.00 0.55 H new ATOM 0 HG13 VAL A 44 3.539 10.244 -3.499 1.00 0.55 H new ATOM 0 HG21 VAL A 44 6.495 10.807 -3.039 1.00 0.56 H new ATOM 0 HG22 VAL A 44 5.472 9.886 -1.911 1.00 0.56 H new ATOM 0 HG23 VAL A 44 6.981 9.173 -2.528 1.00 0.56 H new ATOM 648 N GLU A 45 4.795 6.396 -5.511 1.00 0.24 N ATOM 649 CA GLU A 45 4.189 5.755 -6.632 1.00 0.22 C ATOM 650 C GLU A 45 3.274 4.661 -6.146 1.00 0.19 C ATOM 651 O GLU A 45 2.233 4.430 -6.720 1.00 0.21 O ATOM 652 CB GLU A 45 5.254 5.219 -7.564 1.00 0.29 C ATOM 653 CG GLU A 45 6.125 6.304 -8.151 1.00 0.47 C ATOM 654 CD GLU A 45 5.327 7.269 -8.989 1.00 1.18 C ATOM 655 OE1 GLU A 45 5.111 6.985 -10.187 1.00 1.25 O ATOM 656 OE2 GLU A 45 4.908 8.318 -8.482 1.00 2.08 O ATOM 0 H GLU A 45 5.782 6.175 -5.379 1.00 0.24 H new ATOM 0 HA GLU A 45 3.594 6.475 -7.194 1.00 0.22 H new ATOM 0 HB2 GLU A 45 5.881 4.511 -7.022 1.00 0.29 H new ATOM 0 HB3 GLU A 45 4.776 4.667 -8.373 1.00 0.29 H new ATOM 0 HG2 GLU A 45 6.622 6.846 -7.347 1.00 0.47 H new ATOM 0 HG3 GLU A 45 6.907 5.852 -8.762 1.00 0.47 H new ATOM 663 N VAL A 46 3.664 4.017 -5.047 1.00 0.20 N ATOM 664 CA VAL A 46 2.841 2.991 -4.414 1.00 0.22 C ATOM 665 C VAL A 46 1.531 3.632 -3.962 1.00 0.25 C ATOM 666 O VAL A 46 0.458 3.103 -4.223 1.00 0.31 O ATOM 667 CB VAL A 46 3.572 2.345 -3.195 1.00 0.27 C ATOM 668 CG1 VAL A 46 2.705 1.281 -2.533 1.00 0.52 C ATOM 669 CG2 VAL A 46 4.899 1.737 -3.627 1.00 0.49 C ATOM 0 H VAL A 46 4.551 4.190 -4.575 1.00 0.20 H new ATOM 0 HA VAL A 46 2.646 2.197 -5.135 1.00 0.22 H new ATOM 0 HB VAL A 46 3.763 3.134 -2.468 1.00 0.27 H new ATOM 0 HG11 VAL A 46 3.241 0.849 -1.688 1.00 0.52 H new ATOM 0 HG12 VAL A 46 1.778 1.734 -2.182 1.00 0.52 H new ATOM 0 HG13 VAL A 46 2.475 0.498 -3.255 1.00 0.52 H new ATOM 0 HG21 VAL A 46 5.393 1.292 -2.764 1.00 0.49 H new ATOM 0 HG22 VAL A 46 4.719 0.968 -4.379 1.00 0.49 H new ATOM 0 HG23 VAL A 46 5.536 2.515 -4.048 1.00 0.49 H new ATOM 679 N VAL A 47 1.651 4.785 -3.307 1.00 0.25 N ATOM 680 CA VAL A 47 0.502 5.581 -2.860 1.00 0.28 C ATOM 681 C VAL A 47 -0.411 5.890 -4.057 1.00 0.27 C ATOM 682 O VAL A 47 -1.553 5.426 -4.113 1.00 0.30 O ATOM 683 CB VAL A 47 1.011 6.924 -2.255 1.00 0.31 C ATOM 684 CG1 VAL A 47 -0.142 7.824 -1.838 1.00 0.38 C ATOM 685 CG2 VAL A 47 1.930 6.665 -1.076 1.00 0.32 C ATOM 0 H VAL A 47 2.552 5.199 -3.068 1.00 0.25 H new ATOM 0 HA VAL A 47 -0.054 5.019 -2.110 1.00 0.28 H new ATOM 0 HB VAL A 47 1.573 7.441 -3.033 1.00 0.31 H new ATOM 0 HG11 VAL A 47 0.252 8.751 -1.421 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -0.759 8.051 -2.707 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -0.747 7.316 -1.087 1.00 0.38 H new ATOM 0 HG21 VAL A 47 2.275 7.615 -0.668 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.389 6.114 -0.307 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.788 6.079 -1.405 1.00 0.32 H new ATOM 695 N VAL A 48 0.120 6.651 -5.006 1.00 0.25 N ATOM 696 CA VAL A 48 -0.593 7.029 -6.242 1.00 0.28 C ATOM 697 C VAL A 48 -1.206 5.807 -6.987 1.00 0.28 C ATOM 698 O VAL A 48 -2.349 5.863 -7.464 1.00 0.31 O ATOM 699 CB VAL A 48 0.341 7.844 -7.188 1.00 0.35 C ATOM 700 CG1 VAL A 48 -0.348 8.187 -8.502 1.00 0.56 C ATOM 701 CG2 VAL A 48 0.790 9.122 -6.494 1.00 0.58 C ATOM 0 H VAL A 48 1.065 7.031 -4.949 1.00 0.25 H new ATOM 0 HA VAL A 48 -1.430 7.659 -5.941 1.00 0.28 H new ATOM 0 HB VAL A 48 1.207 7.223 -7.417 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.335 8.755 -9.134 1.00 0.56 H new ATOM 0 HG12 VAL A 48 -0.635 7.268 -9.013 1.00 0.56 H new ATOM 0 HG13 VAL A 48 -1.238 8.784 -8.301 1.00 0.56 H new ATOM 0 HG21 VAL A 48 1.442 9.687 -7.159 1.00 0.58 H new ATOM 0 HG22 VAL A 48 -0.082 9.725 -6.242 1.00 0.58 H new ATOM 0 HG23 VAL A 48 1.332 8.870 -5.583 1.00 0.58 H new ATOM 711 N ALA A 49 -0.466 4.720 -7.082 1.00 0.29 N ATOM 712 CA ALA A 49 -0.965 3.523 -7.739 1.00 0.34 C ATOM 713 C ALA A 49 -2.092 2.880 -6.940 1.00 0.36 C ATOM 714 O ALA A 49 -3.066 2.415 -7.516 1.00 0.42 O ATOM 715 CB ALA A 49 0.145 2.522 -7.997 1.00 0.38 C ATOM 0 H ALA A 49 0.482 4.639 -6.714 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.367 3.832 -8.704 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.267 1.641 -8.489 1.00 0.38 H new ATOM 0 HB2 ALA A 49 0.902 2.975 -8.638 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.599 2.230 -7.050 1.00 0.38 H new ATOM 721 N ALA A 50 -1.968 2.877 -5.612 1.00 0.34 N ATOM 722 CA ALA A 50 -2.998 2.318 -4.732 1.00 0.37 C ATOM 723 C ALA A 50 -4.300 3.075 -4.903 1.00 0.36 C ATOM 724 O ALA A 50 -5.394 2.477 -4.878 1.00 0.38 O ATOM 725 CB ALA A 50 -2.556 2.358 -3.277 1.00 0.38 C ATOM 0 H ALA A 50 -1.160 3.257 -5.119 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.152 1.276 -5.011 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.340 1.937 -2.647 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.643 1.775 -3.158 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.369 3.390 -2.982 1.00 0.38 H new ATOM 731 N GLU A 51 -4.172 4.388 -5.116 1.00 0.36 N ATOM 732 CA GLU A 51 -5.290 5.262 -5.369 1.00 0.39 C ATOM 733 C GLU A 51 -6.117 4.724 -6.523 1.00 0.42 C ATOM 734 O GLU A 51 -7.285 4.442 -6.354 1.00 0.53 O ATOM 735 CB GLU A 51 -4.804 6.665 -5.717 1.00 0.37 C ATOM 736 CG GLU A 51 -3.965 7.345 -4.653 1.00 0.47 C ATOM 737 CD GLU A 51 -3.619 8.769 -5.023 1.00 0.94 C ATOM 738 OE1 GLU A 51 -3.012 8.987 -6.094 1.00 1.36 O ATOM 739 OE2 GLU A 51 -3.885 9.680 -4.229 1.00 1.11 O ATOM 0 H GLU A 51 -3.271 4.867 -5.115 1.00 0.36 H new ATOM 0 HA GLU A 51 -5.900 5.307 -4.467 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.221 6.612 -6.636 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -5.672 7.290 -5.926 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -4.506 7.338 -3.707 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -3.047 6.778 -4.499 1.00 0.47 H new ATOM 746 N GLU A 52 -5.467 4.518 -7.654 1.00 0.40 N ATOM 747 CA GLU A 52 -6.116 4.039 -8.878 1.00 0.48 C ATOM 748 C GLU A 52 -6.527 2.569 -8.769 1.00 0.43 C ATOM 749 O GLU A 52 -7.601 2.180 -9.214 1.00 0.55 O ATOM 750 CB GLU A 52 -5.148 4.210 -10.061 1.00 0.61 C ATOM 751 CG GLU A 52 -5.611 3.614 -11.393 1.00 0.77 C ATOM 752 CD GLU A 52 -6.801 4.319 -12.013 1.00 1.23 C ATOM 753 OE1 GLU A 52 -7.907 4.273 -11.460 1.00 2.09 O ATOM 754 OE2 GLU A 52 -6.655 4.889 -13.110 1.00 1.49 O ATOM 0 H GLU A 52 -4.465 4.678 -7.758 1.00 0.40 H new ATOM 0 HA GLU A 52 -7.020 4.627 -9.032 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -4.965 5.275 -10.205 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -4.194 3.756 -9.794 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -4.780 3.641 -12.098 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -5.865 2.565 -11.239 1.00 0.77 H new ATOM 761 N ARG A 53 -5.716 1.790 -8.081 1.00 0.34 N ATOM 762 CA ARG A 53 -5.833 0.339 -8.073 1.00 0.34 C ATOM 763 C ARG A 53 -7.127 -0.089 -7.439 1.00 0.31 C ATOM 764 O ARG A 53 -7.734 -1.089 -7.825 1.00 0.44 O ATOM 765 CB ARG A 53 -4.659 -0.252 -7.305 1.00 0.40 C ATOM 766 CG ARG A 53 -4.405 -1.725 -7.544 1.00 0.53 C ATOM 767 CD ARG A 53 -4.076 -1.991 -9.009 1.00 0.70 C ATOM 768 NE ARG A 53 -3.041 -1.052 -9.527 1.00 1.27 N ATOM 769 CZ ARG A 53 -1.831 -1.378 -10.013 1.00 1.88 C ATOM 770 NH1 ARG A 53 -1.434 -2.638 -10.096 1.00 2.23 N ATOM 771 NH2 ARG A 53 -1.028 -0.423 -10.444 1.00 2.75 N ATOM 0 H ARG A 53 -4.951 2.145 -7.507 1.00 0.34 H new ATOM 0 HA ARG A 53 -5.823 -0.023 -9.101 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.758 0.302 -7.568 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.829 -0.098 -6.239 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -3.581 -2.063 -6.915 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.284 -2.301 -7.254 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -3.724 -3.017 -9.121 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -4.982 -1.898 -9.607 1.00 0.70 H new ATOM 0 HE ARG A 53 -3.275 -0.059 -9.511 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -2.052 -3.389 -9.787 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -0.510 -2.858 -10.469 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -1.328 0.551 -10.406 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -0.108 -0.659 -10.815 1.00 2.75 H new ATOM 785 N PHE A 54 -7.538 0.665 -6.469 1.00 0.25 N ATOM 786 CA PHE A 54 -8.745 0.373 -5.761 1.00 0.31 C ATOM 787 C PHE A 54 -9.757 1.482 -5.981 1.00 0.32 C ATOM 788 O PHE A 54 -10.872 1.428 -5.472 1.00 0.36 O ATOM 789 CB PHE A 54 -8.430 0.261 -4.286 1.00 0.38 C ATOM 790 CG PHE A 54 -7.357 -0.735 -3.954 1.00 0.38 C ATOM 791 CD1 PHE A 54 -7.549 -2.081 -4.213 1.00 0.69 C ATOM 792 CD2 PHE A 54 -6.157 -0.331 -3.394 1.00 0.62 C ATOM 793 CE1 PHE A 54 -6.575 -3.003 -3.918 1.00 0.73 C ATOM 794 CE2 PHE A 54 -5.186 -1.252 -3.096 1.00 0.63 C ATOM 795 CZ PHE A 54 -5.369 -2.544 -3.331 1.00 0.46 C ATOM 0 H PHE A 54 -7.048 1.499 -6.146 1.00 0.25 H new ATOM 0 HA PHE A 54 -9.165 -0.564 -6.126 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -8.126 1.240 -3.917 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -9.340 -0.013 -3.752 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -8.478 -2.411 -4.653 1.00 0.69 H new ATOM 0 HD2 PHE A 54 -5.985 0.716 -3.191 1.00 0.62 H new ATOM 0 HE1 PHE A 54 -6.724 -4.052 -4.128 1.00 0.73 H new ATOM 0 HE2 PHE A 54 -4.255 -0.919 -2.662 1.00 0.63 H new ATOM 0 HZ PHE A 54 -4.594 -3.251 -3.074 1.00 0.46 H new ATOM 805 N ASP A 55 -9.328 2.503 -6.727 1.00 0.38 N ATOM 806 CA ASP A 55 -10.103 3.741 -7.020 1.00 0.45 C ATOM 807 C ASP A 55 -10.518 4.436 -5.711 1.00 0.50 C ATOM 808 O ASP A 55 -11.412 5.269 -5.660 1.00 0.89 O ATOM 809 CB ASP A 55 -11.311 3.442 -7.908 1.00 0.51 C ATOM 810 CG ASP A 55 -11.898 4.694 -8.527 1.00 1.10 C ATOM 811 OD1 ASP A 55 -11.131 5.618 -8.882 1.00 1.24 O ATOM 812 OD2 ASP A 55 -13.151 4.797 -8.634 1.00 2.02 O ATOM 0 H ASP A 55 -8.406 2.504 -7.163 1.00 0.38 H new ATOM 0 HA ASP A 55 -9.461 4.425 -7.575 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -11.015 2.753 -8.699 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -12.077 2.939 -7.318 1.00 0.51 H new ATOM 817 N VAL A 56 -9.764 4.143 -4.679 1.00 0.40 N ATOM 818 CA VAL A 56 -10.049 4.582 -3.333 1.00 0.48 C ATOM 819 C VAL A 56 -9.572 6.018 -3.103 1.00 0.67 C ATOM 820 O VAL A 56 -10.177 6.768 -2.339 1.00 1.61 O ATOM 821 CB VAL A 56 -9.408 3.589 -2.304 1.00 0.50 C ATOM 822 CG1 VAL A 56 -7.917 3.428 -2.537 1.00 1.07 C ATOM 823 CG2 VAL A 56 -9.675 4.004 -0.875 1.00 1.21 C ATOM 0 H VAL A 56 -8.916 3.580 -4.753 1.00 0.40 H new ATOM 0 HA VAL A 56 -11.129 4.581 -3.186 1.00 0.48 H new ATOM 0 HB VAL A 56 -9.886 2.623 -2.467 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -7.507 2.732 -1.805 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -7.745 3.040 -3.541 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -7.426 4.395 -2.433 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -9.213 3.288 -0.196 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -9.255 4.994 -0.699 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -10.750 4.030 -0.698 1.00 1.21 H new ATOM 833 N LYS A 57 -8.544 6.391 -3.850 1.00 0.51 N ATOM 834 CA LYS A 57 -7.885 7.693 -3.771 1.00 0.49 C ATOM 835 C LYS A 57 -7.373 7.990 -2.347 1.00 0.40 C ATOM 836 O LYS A 57 -8.087 8.563 -1.497 1.00 0.52 O ATOM 837 CB LYS A 57 -8.774 8.830 -4.302 1.00 0.67 C ATOM 838 CG LYS A 57 -8.020 10.112 -4.637 1.00 1.22 C ATOM 839 CD LYS A 57 -7.076 9.898 -5.816 1.00 1.26 C ATOM 840 CE LYS A 57 -6.310 11.164 -6.191 1.00 1.28 C ATOM 841 NZ LYS A 57 -5.457 11.651 -5.088 1.00 1.67 N ATOM 0 H LYS A 57 -8.129 5.778 -4.552 1.00 0.51 H new ATOM 0 HA LYS A 57 -7.015 7.642 -4.425 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -9.292 8.483 -5.196 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -9.538 9.056 -3.558 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -8.730 10.904 -4.874 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -7.452 10.442 -3.767 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -6.367 9.108 -5.570 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -7.649 9.555 -6.678 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -5.691 10.965 -7.066 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -7.017 11.944 -6.472 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -4.653 12.182 -5.479 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -6.013 12.273 -4.468 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -5.103 10.841 -4.539 1.00 1.67 H new ATOM 855 N ILE A 58 -6.170 7.531 -2.083 1.00 0.37 N ATOM 856 CA ILE A 58 -5.501 7.736 -0.814 1.00 0.33 C ATOM 857 C ILE A 58 -4.435 8.783 -1.018 1.00 0.32 C ATOM 858 O ILE A 58 -3.399 8.485 -1.597 1.00 0.35 O ATOM 859 CB ILE A 58 -4.749 6.471 -0.356 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.617 5.238 -0.472 1.00 0.39 C ATOM 861 CG2 ILE A 58 -4.250 6.642 1.087 1.00 0.38 C ATOM 862 CD1 ILE A 58 -4.852 3.966 -0.232 1.00 0.49 C ATOM 0 H ILE A 58 -5.619 6.996 -2.754 1.00 0.37 H new ATOM 0 HA ILE A 58 -6.256 8.012 -0.078 1.00 0.33 H new ATOM 0 HB ILE A 58 -3.891 6.335 -1.014 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.435 5.306 0.245 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -6.065 5.206 -1.465 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.721 5.741 1.398 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.575 7.496 1.140 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -5.100 6.810 1.748 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -5.524 3.113 -0.328 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.050 3.880 -0.965 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -4.426 3.981 0.771 1.00 0.49 H new ATOM 874 N PRO A 59 -4.656 10.003 -0.581 1.00 0.39 N ATOM 875 CA PRO A 59 -3.653 11.038 -0.718 1.00 0.44 C ATOM 876 C PRO A 59 -2.453 10.736 0.186 1.00 0.37 C ATOM 877 O PRO A 59 -2.619 10.096 1.261 1.00 0.39 O ATOM 878 CB PRO A 59 -4.384 12.303 -0.245 1.00 0.62 C ATOM 879 CG PRO A 59 -5.473 11.811 0.639 1.00 0.57 C ATOM 880 CD PRO A 59 -5.876 10.479 0.092 1.00 0.50 C ATOM 0 HA PRO A 59 -3.259 11.128 -1.730 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.710 12.970 0.293 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -4.784 12.866 -1.088 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -5.129 11.722 1.670 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -6.315 12.503 0.643 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -6.190 9.798 0.883 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.711 10.566 -0.604 1.00 0.50 H new ATOM 888 N ASP A 60 -1.251 11.160 -0.240 1.00 0.39 N ATOM 889 CA ASP A 60 -0.024 11.011 0.550 1.00 0.46 C ATOM 890 C ASP A 60 -0.215 11.509 1.995 1.00 0.50 C ATOM 891 O ASP A 60 0.447 11.026 2.912 1.00 0.63 O ATOM 892 CB ASP A 60 1.196 11.708 -0.114 1.00 0.64 C ATOM 893 CG ASP A 60 1.109 13.222 -0.189 1.00 1.34 C ATOM 894 OD1 ASP A 60 0.556 13.754 -1.180 1.00 2.00 O ATOM 895 OD2 ASP A 60 1.614 13.909 0.718 1.00 1.93 O ATOM 0 H ASP A 60 -1.106 11.615 -1.141 1.00 0.39 H new ATOM 0 HA ASP A 60 0.191 9.943 0.584 1.00 0.46 H new ATOM 0 HB2 ASP A 60 2.095 11.438 0.440 1.00 0.64 H new ATOM 0 HB3 ASP A 60 1.314 11.316 -1.124 1.00 0.64 H new ATOM 900 N ASP A 61 -1.142 12.451 2.176 1.00 0.51 N ATOM 901 CA ASP A 61 -1.539 12.983 3.487 1.00 0.63 C ATOM 902 C ASP A 61 -2.014 11.875 4.447 1.00 0.62 C ATOM 903 O ASP A 61 -1.496 11.748 5.549 1.00 0.74 O ATOM 904 CB ASP A 61 -2.639 14.040 3.321 1.00 0.74 C ATOM 905 CG ASP A 61 -3.144 14.583 4.639 1.00 1.36 C ATOM 906 OD1 ASP A 61 -2.548 15.541 5.178 1.00 1.65 O ATOM 907 OD2 ASP A 61 -4.157 14.072 5.153 1.00 2.09 O ATOM 0 H ASP A 61 -1.650 12.876 1.401 1.00 0.51 H new ATOM 0 HA ASP A 61 -0.655 13.442 3.929 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -2.255 14.864 2.719 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -3.473 13.604 2.771 1.00 0.74 H new ATOM 912 N ASP A 62 -2.979 11.052 4.022 1.00 0.57 N ATOM 913 CA ASP A 62 -3.492 9.960 4.900 1.00 0.65 C ATOM 914 C ASP A 62 -2.506 8.842 4.973 1.00 0.53 C ATOM 915 O ASP A 62 -2.442 8.097 5.951 1.00 0.59 O ATOM 916 CB ASP A 62 -4.850 9.402 4.465 1.00 0.80 C ATOM 917 CG ASP A 62 -6.016 10.300 4.777 1.00 0.98 C ATOM 918 OD1 ASP A 62 -6.296 10.530 5.969 1.00 1.58 O ATOM 919 OD2 ASP A 62 -6.633 10.849 3.837 1.00 1.54 O ATOM 0 H ASP A 62 -3.419 11.106 3.104 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.632 10.415 5.881 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -4.826 9.216 3.391 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -5.007 8.439 4.952 1.00 0.80 H new ATOM 924 N VAL A 63 -1.724 8.742 3.941 1.00 0.42 N ATOM 925 CA VAL A 63 -0.652 7.788 3.854 1.00 0.39 C ATOM 926 C VAL A 63 0.386 7.997 4.972 1.00 0.44 C ATOM 927 O VAL A 63 1.037 7.071 5.390 1.00 0.50 O ATOM 928 CB VAL A 63 -0.038 7.798 2.432 1.00 0.41 C ATOM 929 CG1 VAL A 63 1.389 7.303 2.384 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.879 6.948 1.518 1.00 0.59 C ATOM 0 H VAL A 63 -1.813 9.334 3.115 1.00 0.42 H new ATOM 0 HA VAL A 63 -1.055 6.788 4.017 1.00 0.39 H new ATOM 0 HB VAL A 63 -0.025 8.839 2.109 1.00 0.41 H new ATOM 0 HG11 VAL A 63 1.752 7.339 1.357 1.00 0.69 H new ATOM 0 HG12 VAL A 63 2.015 7.936 3.012 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.430 6.276 2.748 1.00 0.69 H new ATOM 0 HG21 VAL A 63 -0.448 6.954 0.517 1.00 0.59 H new ATOM 0 HG22 VAL A 63 -0.907 5.926 1.895 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.892 7.348 1.479 1.00 0.59 H new ATOM 940 N LYS A 64 0.442 9.209 5.519 1.00 0.49 N ATOM 941 CA LYS A 64 1.361 9.530 6.614 1.00 0.63 C ATOM 942 C LYS A 64 0.944 8.829 7.922 1.00 0.64 C ATOM 943 O LYS A 64 1.673 8.864 8.923 1.00 0.85 O ATOM 944 CB LYS A 64 1.404 11.036 6.875 1.00 0.76 C ATOM 945 CG LYS A 64 1.793 11.899 5.682 1.00 0.76 C ATOM 946 CD LYS A 64 1.887 13.375 6.078 1.00 1.04 C ATOM 947 CE LYS A 64 0.565 13.907 6.621 1.00 1.55 C ATOM 948 NZ LYS A 64 0.636 15.335 6.987 1.00 2.44 N ATOM 0 H LYS A 64 -0.141 9.991 5.221 1.00 0.49 H new ATOM 0 HA LYS A 64 2.346 9.178 6.306 1.00 0.63 H new ATOM 0 HB2 LYS A 64 0.422 11.354 7.226 1.00 0.76 H new ATOM 0 HB3 LYS A 64 2.109 11.227 7.684 1.00 0.76 H new ATOM 0 HG2 LYS A 64 2.751 11.564 5.284 1.00 0.76 H new ATOM 0 HG3 LYS A 64 1.057 11.779 4.887 1.00 0.76 H new ATOM 0 HD2 LYS A 64 2.665 13.499 6.832 1.00 1.04 H new ATOM 0 HD3 LYS A 64 2.186 13.964 5.211 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -0.214 13.766 5.872 1.00 1.55 H new ATOM 0 HE3 LYS A 64 0.275 13.325 7.496 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 -0.287 15.647 7.350 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 1.360 15.470 7.721 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 0.885 15.896 6.148 1.00 2.44 H new ATOM 962 N ASN A 65 -0.221 8.220 7.920 1.00 0.51 N ATOM 963 CA ASN A 65 -0.734 7.561 9.097 1.00 0.57 C ATOM 964 C ASN A 65 -0.674 6.064 8.865 1.00 0.50 C ATOM 965 O ASN A 65 -0.751 5.267 9.797 1.00 0.66 O ATOM 966 CB ASN A 65 -2.177 8.010 9.367 1.00 0.65 C ATOM 967 CG ASN A 65 -2.700 7.594 10.734 1.00 1.37 C ATOM 968 OD1 ASN A 65 -1.948 7.497 11.710 1.00 1.93 O ATOM 969 ND2 ASN A 65 -3.974 7.363 10.823 1.00 1.94 N ATOM 0 H ASN A 65 -0.835 8.168 7.107 1.00 0.51 H new ATOM 0 HA ASN A 65 -0.135 7.823 9.969 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -2.233 9.095 9.281 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -2.828 7.595 8.597 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -4.382 7.092 11.718 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -4.567 7.452 9.998 1.00 1.94 H new ATOM 976 N LEU A 66 -0.488 5.699 7.606 1.00 0.42 N ATOM 977 CA LEU A 66 -0.371 4.336 7.196 1.00 0.43 C ATOM 978 C LEU A 66 1.097 4.003 7.223 1.00 0.66 C ATOM 979 O LEU A 66 1.942 4.834 6.908 1.00 1.67 O ATOM 980 CB LEU A 66 -0.882 4.137 5.762 1.00 0.41 C ATOM 981 CG LEU A 66 -2.301 4.634 5.407 1.00 0.38 C ATOM 982 CD1 LEU A 66 -2.549 4.465 3.924 1.00 0.45 C ATOM 983 CD2 LEU A 66 -3.364 3.879 6.172 1.00 0.39 C ATOM 0 H LEU A 66 -0.415 6.365 6.837 1.00 0.42 H new ATOM 0 HA LEU A 66 -0.960 3.701 7.858 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -0.181 4.630 5.089 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.840 3.071 5.541 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.359 5.687 5.683 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.551 4.817 3.680 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -1.815 5.044 3.364 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -2.460 3.412 3.658 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.348 4.257 5.896 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -3.302 2.818 5.931 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.210 4.017 7.242 1.00 0.39 H new ATOM 995 N LYS A 67 1.394 2.848 7.650 1.00 0.54 N ATOM 996 CA LYS A 67 2.781 2.392 7.706 1.00 0.48 C ATOM 997 C LYS A 67 2.953 0.945 7.269 1.00 0.44 C ATOM 998 O LYS A 67 4.033 0.531 6.853 1.00 0.58 O ATOM 999 CB LYS A 67 3.450 2.690 9.082 1.00 0.60 C ATOM 1000 CG LYS A 67 2.495 2.810 10.279 1.00 0.99 C ATOM 1001 CD LYS A 67 1.671 1.561 10.511 1.00 1.79 C ATOM 1002 CE LYS A 67 0.661 1.764 11.622 1.00 2.52 C ATOM 1003 NZ LYS A 67 -0.230 2.929 11.391 1.00 3.18 N ATOM 0 H LYS A 67 0.710 2.166 7.978 1.00 0.54 H new ATOM 0 HA LYS A 67 3.320 2.985 6.968 1.00 0.48 H new ATOM 0 HB2 LYS A 67 4.169 1.899 9.294 1.00 0.60 H new ATOM 0 HB3 LYS A 67 4.014 3.619 8.997 1.00 0.60 H new ATOM 0 HG2 LYS A 67 3.073 3.028 11.177 1.00 0.99 H new ATOM 0 HG3 LYS A 67 1.825 3.655 10.118 1.00 0.99 H new ATOM 0 HD2 LYS A 67 1.153 1.289 9.591 1.00 1.79 H new ATOM 0 HD3 LYS A 67 2.330 0.730 10.763 1.00 1.79 H new ATOM 0 HE2 LYS A 67 0.054 0.864 11.723 1.00 2.52 H new ATOM 0 HE3 LYS A 67 1.190 1.899 12.566 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 -1.020 2.901 12.066 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 0.308 3.809 11.524 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 -0.602 2.894 10.421 1.00 3.18 H new ATOM 1017 N THR A 68 1.895 0.182 7.332 1.00 0.36 N ATOM 1018 CA THR A 68 1.973 -1.185 6.916 1.00 0.32 C ATOM 1019 C THR A 68 1.059 -1.454 5.754 1.00 0.30 C ATOM 1020 O THR A 68 0.162 -0.650 5.445 1.00 0.35 O ATOM 1021 CB THR A 68 1.649 -2.184 8.054 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.449 -1.791 8.727 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.782 -2.301 9.039 1.00 0.34 C ATOM 0 H THR A 68 0.979 0.483 7.665 1.00 0.36 H new ATOM 0 HA THR A 68 3.009 -1.341 6.616 1.00 0.32 H new ATOM 0 HB THR A 68 1.506 -3.165 7.600 1.00 0.35 H new ATOM 0 HG1 THR A 68 0.252 -2.430 9.444 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.513 -3.012 9.820 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.677 -2.650 8.524 1.00 0.34 H new ATOM 0 HG23 THR A 68 2.977 -1.326 9.486 1.00 0.34 H new ATOM 1031 N VAL A 69 1.276 -2.584 5.133 1.00 0.27 N ATOM 1032 CA VAL A 69 0.428 -3.099 4.078 1.00 0.26 C ATOM 1033 C VAL A 69 -1.001 -3.274 4.580 1.00 0.27 C ATOM 1034 O VAL A 69 -1.960 -2.888 3.907 1.00 0.34 O ATOM 1035 CB VAL A 69 0.974 -4.449 3.559 1.00 0.28 C ATOM 1036 CG1 VAL A 69 2.099 -4.234 2.581 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.521 -5.241 4.698 1.00 0.35 C ATOM 0 H VAL A 69 2.067 -3.191 5.349 1.00 0.27 H new ATOM 0 HA VAL A 69 0.426 -2.381 3.258 1.00 0.26 H new ATOM 0 HB VAL A 69 0.152 -4.973 3.072 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.466 -5.199 2.231 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.737 -3.653 1.732 1.00 0.29 H new ATOM 0 HG13 VAL A 69 2.909 -3.694 3.071 1.00 0.29 H new ATOM 0 HG21 VAL A 69 1.905 -6.192 4.329 1.00 0.35 H new ATOM 0 HG22 VAL A 69 2.328 -4.684 5.174 1.00 0.35 H new ATOM 0 HG23 VAL A 69 0.730 -5.427 5.425 1.00 0.35 H new ATOM 1047 N GLY A 70 -1.130 -3.832 5.775 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.419 -4.043 6.356 1.00 0.30 C ATOM 1049 C GLY A 70 -3.071 -2.760 6.771 1.00 0.28 C ATOM 1050 O GLY A 70 -4.277 -2.638 6.705 1.00 0.30 O ATOM 0 H GLY A 70 -0.347 -4.142 6.351 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -3.059 -4.558 5.639 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.322 -4.696 7.223 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.265 -1.788 7.175 1.00 0.29 N ATOM 1055 CA ASP A 71 -2.787 -0.494 7.601 1.00 0.32 C ATOM 1056 C ASP A 71 -3.342 0.231 6.396 1.00 0.27 C ATOM 1057 O ASP A 71 -4.435 0.805 6.448 1.00 0.29 O ATOM 1058 CB ASP A 71 -1.696 0.351 8.232 1.00 0.46 C ATOM 1059 CG ASP A 71 -2.213 1.509 9.003 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -3.334 1.423 9.460 1.00 1.19 O ATOM 1061 OD2 ASP A 71 -1.528 2.549 9.118 1.00 1.79 O ATOM 0 H ASP A 71 -1.249 -1.869 7.217 1.00 0.29 H new ATOM 0 HA ASP A 71 -3.569 -0.659 8.343 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.098 -0.277 8.892 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -1.031 0.714 7.449 1.00 0.46 H new ATOM 1066 N ALA A 72 -2.581 0.181 5.293 1.00 0.26 N ATOM 1067 CA ALA A 72 -3.009 0.749 4.023 1.00 0.26 C ATOM 1068 C ALA A 72 -4.321 0.111 3.619 1.00 0.25 C ATOM 1069 O ALA A 72 -5.317 0.801 3.436 1.00 0.26 O ATOM 1070 CB ALA A 72 -1.951 0.528 2.955 1.00 0.29 C ATOM 0 H ALA A 72 -1.658 -0.253 5.264 1.00 0.26 H new ATOM 0 HA ALA A 72 -3.148 1.825 4.132 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.289 0.960 2.013 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -1.021 1.007 3.260 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -1.783 -0.541 2.825 1.00 0.29 H new ATOM 1076 N THR A 73 -4.310 -1.215 3.537 1.00 0.25 N ATOM 1077 CA THR A 73 -5.478 -2.021 3.301 1.00 0.26 C ATOM 1078 C THR A 73 -6.653 -1.624 4.203 1.00 0.28 C ATOM 1079 O THR A 73 -7.734 -1.465 3.719 1.00 0.31 O ATOM 1080 CB THR A 73 -5.118 -3.485 3.562 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.139 -3.893 2.610 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.341 -4.383 3.483 1.00 0.28 C ATOM 0 H THR A 73 -3.457 -1.765 3.638 1.00 0.25 H new ATOM 0 HA THR A 73 -5.792 -1.867 2.269 1.00 0.26 H new ATOM 0 HB THR A 73 -4.717 -3.575 4.572 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.260 -3.554 2.879 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.047 -5.415 3.674 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.071 -4.070 4.229 1.00 0.28 H new ATOM 0 HG23 THR A 73 -6.783 -4.309 2.489 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.419 -1.460 5.490 1.00 0.29 N ATOM 1091 CA LYS A 74 -7.466 -1.120 6.445 1.00 0.34 C ATOM 1092 C LYS A 74 -8.114 0.225 6.094 1.00 0.31 C ATOM 1093 O LYS A 74 -9.329 0.387 6.205 1.00 0.37 O ATOM 1094 CB LYS A 74 -6.886 -1.098 7.861 1.00 0.41 C ATOM 1095 CG LYS A 74 -7.915 -1.047 8.967 1.00 0.58 C ATOM 1096 CD LYS A 74 -8.883 -2.211 8.846 1.00 1.60 C ATOM 1097 CE LYS A 74 -9.737 -2.370 10.081 1.00 2.24 C ATOM 1098 NZ LYS A 74 -8.910 -2.732 11.244 1.00 2.93 N ATOM 0 H LYS A 74 -5.494 -1.558 5.909 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.246 -1.880 6.398 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -6.268 -1.985 7.999 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -6.228 -0.234 7.956 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -7.418 -1.079 9.936 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -8.462 -0.105 8.920 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -9.525 -2.059 7.979 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -8.324 -3.130 8.671 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -10.270 -1.441 10.283 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -10.491 -3.139 9.911 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -9.508 -3.176 11.970 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -8.170 -3.400 10.949 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -8.468 -1.876 11.635 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.307 1.154 5.615 1.00 0.26 N ATOM 1113 CA TYR A 75 -7.796 2.454 5.210 1.00 0.25 C ATOM 1114 C TYR A 75 -8.625 2.302 3.944 1.00 0.23 C ATOM 1115 O TYR A 75 -9.677 2.903 3.800 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.618 3.415 4.972 1.00 0.29 C ATOM 1117 CG TYR A 75 -7.010 4.787 4.455 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -7.315 5.816 5.337 1.00 0.41 C ATOM 1119 CD2 TYR A 75 -7.075 5.051 3.095 1.00 0.36 C ATOM 1120 CE1 TYR A 75 -7.666 7.063 4.884 1.00 0.47 C ATOM 1121 CE2 TYR A 75 -7.430 6.303 2.634 1.00 0.42 C ATOM 1122 CZ TYR A 75 -7.730 7.281 3.482 1.00 0.45 C ATOM 1123 OH TYR A 75 -8.076 8.552 3.092 1.00 0.53 O ATOM 0 H TYR A 75 -6.302 1.028 5.497 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.420 2.872 6.000 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.072 3.537 5.908 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -5.932 2.957 4.260 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -7.275 5.631 6.400 1.00 0.41 H new ATOM 0 HD2 TYR A 75 -6.845 4.268 2.388 1.00 0.36 H new ATOM 0 HE1 TYR A 75 -7.888 7.860 5.578 1.00 0.47 H new ATOM 0 HE2 TYR A 75 -7.464 6.490 1.571 1.00 0.42 H new ATOM 0 HH TYR A 75 -8.092 8.601 2.113 1.00 0.53 H new ATOM 1133 N ILE A 76 -8.135 1.478 3.044 1.00 0.22 N ATOM 1134 CA ILE A 76 -8.782 1.204 1.788 1.00 0.23 C ATOM 1135 C ILE A 76 -10.071 0.452 2.041 1.00 0.24 C ATOM 1136 O ILE A 76 -11.076 0.766 1.470 1.00 0.27 O ATOM 1137 CB ILE A 76 -7.853 0.391 0.866 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.537 1.137 0.693 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.508 0.178 -0.493 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.453 0.350 0.003 1.00 0.25 C ATOM 0 H ILE A 76 -7.259 0.972 3.171 1.00 0.22 H new ATOM 0 HA ILE A 76 -9.009 2.146 1.289 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.666 -0.583 1.318 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -6.724 2.048 0.125 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -6.176 1.442 1.675 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -7.839 -0.398 -1.133 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.444 -0.365 -0.365 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -8.710 1.144 -0.955 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.554 0.961 -0.076 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.232 -0.548 0.580 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -5.788 0.067 -0.995 1.00 0.25 H new ATOM 1152 N LEU A 77 -10.007 -0.535 2.918 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.153 -1.333 3.366 1.00 0.29 C ATOM 1154 C LEU A 77 -12.292 -0.416 3.793 1.00 0.34 C ATOM 1155 O LEU A 77 -13.455 -0.653 3.479 1.00 0.43 O ATOM 1156 CB LEU A 77 -10.722 -2.177 4.578 1.00 0.30 C ATOM 1157 CG LEU A 77 -11.774 -3.089 5.196 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.106 -4.227 4.275 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -11.321 -3.599 6.543 1.00 1.15 C ATOM 0 H LEU A 77 -9.131 -0.818 3.357 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.489 -1.973 2.550 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -9.874 -2.793 4.277 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.364 -1.499 5.353 1.00 0.30 H new ATOM 0 HG LEU A 77 -12.681 -2.503 5.346 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -12.859 -4.863 4.740 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -12.493 -3.833 3.335 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.207 -4.812 4.081 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -12.089 -4.248 6.964 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -10.395 -4.162 6.426 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -11.151 -2.756 7.213 1.00 1.15 H new ATOM 1171 N ASP A 78 -11.920 0.641 4.455 1.00 0.32 N ATOM 1172 CA ASP A 78 -12.867 1.609 4.995 1.00 0.39 C ATOM 1173 C ASP A 78 -13.295 2.633 3.938 1.00 0.41 C ATOM 1174 O ASP A 78 -14.457 3.026 3.867 1.00 0.50 O ATOM 1175 CB ASP A 78 -12.238 2.323 6.200 1.00 0.45 C ATOM 1176 CG ASP A 78 -13.159 3.330 6.853 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -14.019 2.916 7.679 1.00 0.67 O ATOM 1178 OD2 ASP A 78 -13.026 4.541 6.577 1.00 0.64 O ATOM 0 H ASP A 78 -10.944 0.869 4.644 1.00 0.32 H new ATOM 0 HA ASP A 78 -13.761 1.071 5.311 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -11.943 1.579 6.940 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -11.328 2.830 5.878 1.00 0.45 H new ATOM 1183 N HIS A 79 -12.357 3.020 3.112 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.525 4.074 2.100 1.00 0.43 C ATOM 1185 C HIS A 79 -12.908 3.579 0.709 1.00 0.51 C ATOM 1186 O HIS A 79 -12.930 4.371 -0.232 1.00 0.91 O ATOM 1187 CB HIS A 79 -11.269 4.942 2.036 1.00 0.48 C ATOM 1188 CG HIS A 79 -11.298 6.103 2.962 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -11.197 7.403 2.538 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -11.413 6.159 4.301 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -11.255 8.203 3.567 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -11.384 7.475 4.649 1.00 1.52 N ATOM 0 H HIS A 79 -11.423 2.610 3.111 1.00 0.37 H new ATOM 0 HA HIS A 79 -13.379 4.664 2.431 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.400 4.326 2.267 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -11.140 5.305 1.016 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -11.510 5.319 4.973 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -11.205 9.281 3.533 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -11.452 7.837 5.600 1.00 1.52 H new ATOM 1201 N GLN A 80 -13.157 2.281 0.588 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.559 1.606 -0.681 1.00 0.55 C ATOM 1203 C GLN A 80 -14.506 2.442 -1.548 1.00 0.62 C ATOM 1204 O GLN A 80 -15.480 3.027 -1.047 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.261 0.291 -0.371 1.00 0.87 C ATOM 1206 CG GLN A 80 -13.392 -0.817 0.161 1.00 0.64 C ATOM 1207 CD GLN A 80 -12.307 -1.242 -0.795 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -12.447 -1.159 -2.008 1.00 0.57 O ATOM 1209 NE2 GLN A 80 -11.225 -1.707 -0.251 1.00 0.51 N ATOM 0 H GLN A 80 -13.089 1.637 1.376 1.00 0.41 H new ATOM 0 HA GLN A 80 -12.635 1.453 -1.238 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.050 0.487 0.355 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -14.746 -0.061 -1.281 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -12.935 -0.492 1.096 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -14.018 -1.679 0.394 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -11.147 -1.760 0.765 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -10.452 -2.020 -0.839 1.00 0.51 H new ATOM 1218 N ALA A 81 -14.212 2.498 -2.828 1.00 0.68 N ATOM 1219 CA ALA A 81 -15.038 3.204 -3.764 1.00 0.96 C ATOM 1220 C ALA A 81 -15.939 2.210 -4.452 1.00 1.47 C ATOM 1221 O ALA A 81 -17.083 2.023 -4.015 1.00 1.72 O ATOM 1222 CB ALA A 81 -14.182 3.935 -4.777 1.00 1.11 C ATOM 1223 OXT ALA A 81 -15.480 1.542 -5.397 1.00 2.36 O ATOM 0 H ALA A 81 -13.393 2.054 -3.243 1.00 0.68 H new ATOM 0 HA ALA A 81 -15.641 3.946 -3.240 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -14.824 4.466 -5.480 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -13.539 4.649 -4.262 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -13.566 3.217 -5.319 1.00 1.11 H new