USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 583 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.37) USER MOD Single : A 16 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.16) USER MOD Single : A 31 SER OG : rot -116:sc= 1.3 USER MOD Single : A 33 THR OG1 : rot -53:sc= 0.137 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -149:sc= -0.0426 (180deg=-0.425) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 128:sc= 0.0356 (180deg=-0.2) USER MOD Single : A 65 ASN : amide:sc=-0.00184 X(o=-0.0018,f=-0.0018) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.741 USER MOD Single : A 73 THR OG1 : rot -84:sc= 1.14 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -0.0792 (180deg=-0.49) USER MOD Single : A 75 TYR OH : rot 10:sc= -0.293 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.869 8.252 -3.402 1.00 1.12 N ATOM 14 CA ALA A 2 8.745 8.996 -2.839 1.00 0.91 C ATOM 15 C ALA A 2 8.734 8.802 -1.336 1.00 0.87 C ATOM 16 O ALA A 2 9.234 7.786 -0.848 1.00 1.07 O ATOM 17 CB ALA A 2 7.431 8.509 -3.443 1.00 0.92 C ATOM 0 HA ALA A 2 8.855 10.055 -3.072 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.602 9.072 -3.014 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.450 8.657 -4.523 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.301 7.449 -3.224 1.00 0.92 H new ATOM 23 N THR A 3 8.212 9.751 -0.594 1.00 0.76 N ATOM 24 CA THR A 3 8.174 9.608 0.845 1.00 0.76 C ATOM 25 C THR A 3 6.714 9.389 1.320 1.00 0.56 C ATOM 26 O THR A 3 5.867 9.130 0.494 1.00 0.48 O ATOM 27 CB THR A 3 8.894 10.789 1.551 1.00 0.97 C ATOM 28 OG1 THR A 3 9.994 11.200 0.700 1.00 1.45 O ATOM 29 CG2 THR A 3 9.504 10.342 2.883 1.00 1.57 C ATOM 0 H THR A 3 7.813 10.618 -0.954 1.00 0.76 H new ATOM 0 HA THR A 3 8.733 8.718 1.135 1.00 0.76 H new ATOM 0 HB THR A 3 8.174 11.588 1.729 1.00 0.97 H new ATOM 0 HG1 THR A 3 10.469 11.948 1.118 1.00 1.45 H new ATOM 0 HG21 THR A 3 10.002 11.188 3.357 1.00 1.57 H new ATOM 0 HG22 THR A 3 8.716 9.972 3.538 1.00 1.57 H new ATOM 0 HG23 THR A 3 10.229 9.548 2.703 1.00 1.57 H new ATOM 37 N GLN A 4 6.428 9.588 2.603 1.00 0.58 N ATOM 38 CA GLN A 4 5.185 9.134 3.245 1.00 0.52 C ATOM 39 C GLN A 4 3.904 9.588 2.560 1.00 0.49 C ATOM 40 O GLN A 4 3.101 8.746 2.140 1.00 0.51 O ATOM 41 CB GLN A 4 5.192 9.540 4.705 1.00 0.65 C ATOM 42 CG GLN A 4 3.976 9.123 5.498 1.00 1.14 C ATOM 43 CD GLN A 4 4.056 9.571 6.937 1.00 1.21 C ATOM 44 OE1 GLN A 4 3.039 9.848 7.569 1.00 1.64 O ATOM 45 NE2 GLN A 4 5.248 9.669 7.466 1.00 1.76 N ATOM 0 H GLN A 4 7.058 10.075 3.240 1.00 0.58 H new ATOM 0 HA GLN A 4 5.175 8.048 3.150 1.00 0.52 H new ATOM 0 HB2 GLN A 4 6.077 9.115 5.179 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.289 10.624 4.763 1.00 0.65 H new ATOM 0 HG2 GLN A 4 3.082 9.543 5.037 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.874 8.038 5.461 1.00 1.14 H new ATOM 0 HE21 GLN A 4 6.072 9.431 6.914 1.00 1.76 H new ATOM 0 HE22 GLN A 4 5.354 9.983 8.431 1.00 1.76 H new ATOM 54 N GLU A 5 3.729 10.882 2.395 1.00 0.53 N ATOM 55 CA GLU A 5 2.506 11.399 1.812 1.00 0.58 C ATOM 56 C GLU A 5 2.395 11.001 0.359 1.00 0.53 C ATOM 57 O GLU A 5 1.298 10.682 -0.134 1.00 0.60 O ATOM 58 CB GLU A 5 2.375 12.914 1.966 1.00 0.72 C ATOM 59 CG GLU A 5 2.405 13.413 3.400 1.00 1.48 C ATOM 60 CD GLU A 5 3.803 13.613 3.941 1.00 2.18 C ATOM 61 OE1 GLU A 5 4.396 14.685 3.686 1.00 2.49 O ATOM 62 OE2 GLU A 5 4.335 12.725 4.626 1.00 3.05 O ATOM 0 H GLU A 5 4.413 11.593 2.654 1.00 0.53 H new ATOM 0 HA GLU A 5 1.681 10.951 2.366 1.00 0.58 H new ATOM 0 HB2 GLU A 5 3.183 13.393 1.413 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.440 13.233 1.505 1.00 0.72 H new ATOM 0 HG2 GLU A 5 1.863 14.357 3.459 1.00 1.48 H new ATOM 0 HG3 GLU A 5 1.877 12.702 4.035 1.00 1.48 H new ATOM 69 N GLU A 6 3.529 10.972 -0.311 1.00 0.50 N ATOM 70 CA GLU A 6 3.591 10.565 -1.693 1.00 0.50 C ATOM 71 C GLU A 6 3.293 9.083 -1.843 1.00 0.42 C ATOM 72 O GLU A 6 2.708 8.662 -2.846 1.00 0.43 O ATOM 73 CB GLU A 6 4.939 10.915 -2.302 1.00 0.59 C ATOM 74 CG GLU A 6 5.154 12.403 -2.456 1.00 1.06 C ATOM 75 CD GLU A 6 4.126 13.010 -3.371 1.00 1.75 C ATOM 76 OE1 GLU A 6 4.251 12.870 -4.598 1.00 2.16 O ATOM 77 OE2 GLU A 6 3.198 13.683 -2.873 1.00 2.53 O ATOM 0 H GLU A 6 4.431 11.230 0.090 1.00 0.50 H new ATOM 0 HA GLU A 6 2.823 11.114 -2.237 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.731 10.503 -1.677 1.00 0.59 H new ATOM 0 HB3 GLU A 6 5.024 10.439 -3.279 1.00 0.59 H new ATOM 0 HG2 GLU A 6 5.104 12.883 -1.479 1.00 1.06 H new ATOM 0 HG3 GLU A 6 6.152 12.590 -2.852 1.00 1.06 H new ATOM 84 N ILE A 7 3.668 8.294 -0.842 1.00 0.36 N ATOM 85 CA ILE A 7 3.385 6.874 -0.869 1.00 0.33 C ATOM 86 C ILE A 7 1.884 6.696 -0.749 1.00 0.30 C ATOM 87 O ILE A 7 1.269 6.027 -1.561 1.00 0.30 O ATOM 88 CB ILE A 7 4.083 6.082 0.277 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.601 6.227 0.218 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.704 4.610 0.213 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.223 5.838 -1.098 1.00 0.45 C ATOM 0 H ILE A 7 4.164 8.615 -0.011 1.00 0.36 H new ATOM 0 HA ILE A 7 3.775 6.475 -1.806 1.00 0.33 H new ATOM 0 HB ILE A 7 3.739 6.503 1.221 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.861 7.263 0.435 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.041 5.616 1.006 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.200 4.071 1.020 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.624 4.507 0.318 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.016 4.195 -0.745 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.303 5.974 -1.044 1.00 0.45 H new ATOM 0 HD12 ILE A 7 5.999 4.793 -1.311 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.817 6.465 -1.892 1.00 0.45 H new ATOM 103 N VAL A 8 1.315 7.337 0.271 1.00 0.31 N ATOM 104 CA VAL A 8 -0.132 7.339 0.537 1.00 0.35 C ATOM 105 C VAL A 8 -0.929 7.679 -0.736 1.00 0.34 C ATOM 106 O VAL A 8 -1.915 7.003 -1.073 1.00 0.36 O ATOM 107 CB VAL A 8 -0.454 8.378 1.655 1.00 0.45 C ATOM 108 CG1 VAL A 8 -1.938 8.583 1.811 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.108 7.914 2.967 1.00 0.49 C ATOM 0 H VAL A 8 1.850 7.879 0.949 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.424 6.341 0.865 1.00 0.35 H new ATOM 0 HB VAL A 8 0.002 9.324 1.361 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.124 9.313 2.599 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.356 8.948 0.872 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.410 7.637 2.075 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.122 8.646 3.741 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.334 6.954 3.233 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.189 7.804 2.881 1.00 0.49 H new ATOM 119 N ALA A 9 -0.502 8.724 -1.420 1.00 0.37 N ATOM 120 CA ALA A 9 -1.143 9.162 -2.648 1.00 0.41 C ATOM 121 C ALA A 9 -1.069 8.080 -3.726 1.00 0.37 C ATOM 122 O ALA A 9 -2.072 7.764 -4.367 1.00 0.43 O ATOM 123 CB ALA A 9 -0.505 10.448 -3.136 1.00 0.48 C ATOM 0 H ALA A 9 0.297 9.293 -1.142 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.196 9.348 -2.438 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -0.992 10.769 -4.057 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -0.619 11.222 -2.377 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.555 10.279 -3.326 1.00 0.48 H new ATOM 129 N GLY A 10 0.104 7.476 -3.861 1.00 0.33 N ATOM 130 CA GLY A 10 0.317 6.467 -4.873 1.00 0.34 C ATOM 131 C GLY A 10 -0.451 5.204 -4.579 1.00 0.31 C ATOM 132 O GLY A 10 -0.968 4.562 -5.484 1.00 0.37 O ATOM 0 H GLY A 10 0.919 7.672 -3.279 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.014 6.858 -5.844 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.381 6.238 -4.939 1.00 0.34 H new ATOM 136 N LEU A 11 -0.527 4.859 -3.301 1.00 0.26 N ATOM 137 CA LEU A 11 -1.260 3.691 -2.844 1.00 0.25 C ATOM 138 C LEU A 11 -2.698 3.780 -3.283 1.00 0.23 C ATOM 139 O LEU A 11 -3.249 2.834 -3.858 1.00 0.24 O ATOM 140 CB LEU A 11 -1.194 3.571 -1.316 1.00 0.28 C ATOM 141 CG LEU A 11 0.169 3.230 -0.715 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.105 3.278 0.801 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.622 1.855 -1.177 1.00 0.32 C ATOM 0 H LEU A 11 -0.079 5.385 -2.550 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.801 2.806 -3.284 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.530 4.514 -0.885 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.905 2.807 -1.003 1.00 0.28 H new ATOM 0 HG LEU A 11 0.893 3.970 -1.058 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.083 3.033 1.214 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.184 4.279 1.121 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.630 2.557 1.157 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.594 1.627 -0.741 1.00 0.32 H new ATOM 0 HD22 LEU A 11 -0.104 1.107 -0.858 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.701 1.844 -2.264 1.00 0.32 H new ATOM 155 N ALA A 12 -3.284 4.937 -3.077 1.00 0.23 N ATOM 156 CA ALA A 12 -4.653 5.145 -3.431 1.00 0.23 C ATOM 157 C ALA A 12 -4.845 5.192 -4.931 1.00 0.21 C ATOM 158 O ALA A 12 -5.916 4.907 -5.406 1.00 0.24 O ATOM 159 CB ALA A 12 -5.209 6.373 -2.784 1.00 0.28 C ATOM 0 H ALA A 12 -2.824 5.748 -2.663 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.210 4.287 -3.054 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.252 6.498 -3.077 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -5.146 6.274 -1.700 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.636 7.244 -3.103 1.00 0.28 H new ATOM 165 N GLU A 13 -3.803 5.546 -5.673 1.00 0.24 N ATOM 166 CA GLU A 13 -3.878 5.534 -7.127 1.00 0.29 C ATOM 167 C GLU A 13 -4.152 4.138 -7.629 1.00 0.28 C ATOM 168 O GLU A 13 -5.036 3.934 -8.466 1.00 0.37 O ATOM 169 CB GLU A 13 -2.619 6.090 -7.784 1.00 0.42 C ATOM 170 CG GLU A 13 -2.391 7.566 -7.562 1.00 0.94 C ATOM 171 CD GLU A 13 -1.171 8.059 -8.287 1.00 1.53 C ATOM 172 OE1 GLU A 13 -1.191 8.123 -9.521 1.00 1.55 O ATOM 173 OE2 GLU A 13 -0.155 8.371 -7.643 1.00 2.48 O ATOM 0 H GLU A 13 -2.903 5.843 -5.295 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.703 6.190 -7.406 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -1.756 5.542 -7.406 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -2.672 5.902 -8.856 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -3.264 8.123 -7.900 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -2.283 7.760 -6.495 1.00 0.94 H new ATOM 180 N ILE A 14 -3.420 3.172 -7.117 1.00 0.24 N ATOM 181 CA ILE A 14 -3.657 1.807 -7.516 1.00 0.28 C ATOM 182 C ILE A 14 -4.960 1.303 -6.878 1.00 0.25 C ATOM 183 O ILE A 14 -5.801 0.711 -7.552 1.00 0.32 O ATOM 184 CB ILE A 14 -2.467 0.812 -7.218 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.196 1.131 -8.043 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.892 -0.607 -7.518 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.428 2.354 -7.622 1.00 0.44 C ATOM 0 H ILE A 14 -2.671 3.304 -6.437 1.00 0.24 H new ATOM 0 HA ILE A 14 -3.743 1.821 -8.603 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.222 0.930 -6.163 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.528 0.271 -7.992 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.485 1.249 -9.087 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.065 -1.286 -7.310 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.745 -0.871 -6.893 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.173 -0.688 -8.568 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.440 2.479 -8.269 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.069 3.232 -7.702 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.098 2.239 -6.590 1.00 0.44 H new ATOM 199 N VAL A 15 -5.164 1.593 -5.598 1.00 0.22 N ATOM 200 CA VAL A 15 -6.371 1.133 -4.929 1.00 0.22 C ATOM 201 C VAL A 15 -7.671 1.760 -5.549 1.00 0.22 C ATOM 202 O VAL A 15 -8.749 1.170 -5.492 1.00 0.25 O ATOM 203 CB VAL A 15 -6.326 1.268 -3.362 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.575 0.712 -2.746 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.155 0.510 -2.772 1.00 0.34 C ATOM 0 H VAL A 15 -4.524 2.132 -5.015 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.412 0.060 -5.118 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.228 2.332 -3.145 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.523 0.815 -1.662 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.440 1.258 -3.122 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.671 -0.342 -3.006 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.156 0.626 -1.688 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.241 -0.547 -3.024 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.224 0.905 -3.178 1.00 0.34 H new ATOM 215 N ASN A 16 -7.545 2.910 -6.196 1.00 0.24 N ATOM 216 CA ASN A 16 -8.684 3.552 -6.883 1.00 0.30 C ATOM 217 C ASN A 16 -9.088 2.766 -8.114 1.00 0.34 C ATOM 218 O ASN A 16 -10.271 2.596 -8.386 1.00 0.43 O ATOM 219 CB ASN A 16 -8.390 5.022 -7.263 1.00 0.37 C ATOM 220 CG ASN A 16 -9.505 5.675 -8.098 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.481 5.630 -9.328 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.478 6.265 -7.453 1.00 0.48 N ATOM 0 H ASN A 16 -6.669 3.427 -6.266 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.513 3.555 -6.175 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.242 5.602 -6.352 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.456 5.064 -7.823 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.241 6.702 -7.970 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.474 6.288 -6.433 1.00 0.48 H new ATOM 229 N GLU A 17 -8.119 2.253 -8.846 1.00 0.37 N ATOM 230 CA GLU A 17 -8.443 1.481 -10.027 1.00 0.48 C ATOM 231 C GLU A 17 -8.861 0.059 -9.659 1.00 0.47 C ATOM 232 O GLU A 17 -9.677 -0.549 -10.342 1.00 0.60 O ATOM 233 CB GLU A 17 -7.323 1.513 -11.085 1.00 0.63 C ATOM 234 CG GLU A 17 -5.970 1.004 -10.624 1.00 1.05 C ATOM 235 CD GLU A 17 -4.932 1.089 -11.710 1.00 1.51 C ATOM 236 OE1 GLU A 17 -4.304 2.152 -11.871 1.00 1.70 O ATOM 237 OE2 GLU A 17 -4.708 0.087 -12.418 1.00 2.11 O ATOM 0 H GLU A 17 -7.123 2.353 -8.650 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.302 1.960 -10.497 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.641 0.920 -11.943 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -7.206 2.539 -11.433 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -5.640 1.584 -9.762 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -6.066 -0.031 -10.295 1.00 1.05 H new ATOM 244 N ILE A 18 -8.343 -0.439 -8.553 1.00 0.39 N ATOM 245 CA ILE A 18 -8.676 -1.783 -8.097 1.00 0.43 C ATOM 246 C ILE A 18 -10.016 -1.810 -7.332 1.00 0.44 C ATOM 247 O ILE A 18 -10.919 -2.545 -7.692 1.00 0.53 O ATOM 248 CB ILE A 18 -7.541 -2.339 -7.176 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.215 -2.442 -7.950 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.915 -3.695 -6.560 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.274 -3.336 -9.173 1.00 0.71 C ATOM 0 H ILE A 18 -7.690 0.063 -7.951 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.774 -2.412 -8.982 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.413 -1.633 -6.356 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.910 -1.442 -8.260 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.443 -2.817 -7.277 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.099 -4.045 -5.928 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.818 -3.585 -5.959 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.094 -4.419 -7.355 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.299 -3.352 -9.659 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.546 -4.348 -8.872 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -7.020 -2.952 -9.869 1.00 0.71 H new ATOM 263 N ALA A 19 -10.155 -0.981 -6.320 1.00 0.40 N ATOM 264 CA ALA A 19 -11.335 -1.055 -5.459 1.00 0.46 C ATOM 265 C ALA A 19 -12.311 0.097 -5.670 1.00 0.45 C ATOM 266 O ALA A 19 -13.471 0.015 -5.258 1.00 0.68 O ATOM 267 CB ALA A 19 -10.913 -1.147 -4.007 1.00 0.52 C ATOM 0 H ALA A 19 -9.483 -0.256 -6.069 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.875 -1.959 -5.740 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.798 -1.202 -3.374 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.306 -2.041 -3.860 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.330 -0.265 -3.741 1.00 0.52 H new ATOM 273 N GLY A 20 -11.845 1.169 -6.278 1.00 0.44 N ATOM 274 CA GLY A 20 -12.719 2.302 -6.563 1.00 0.46 C ATOM 275 C GLY A 20 -12.844 3.278 -5.407 1.00 0.52 C ATOM 276 O GLY A 20 -13.834 4.001 -5.302 1.00 0.93 O ATOM 0 H GLY A 20 -10.879 1.285 -6.583 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.339 2.833 -7.436 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.710 1.930 -6.822 1.00 0.46 H new ATOM 280 N ILE A 21 -11.851 3.311 -4.551 1.00 0.38 N ATOM 281 CA ILE A 21 -11.877 4.212 -3.403 1.00 0.39 C ATOM 282 C ILE A 21 -11.477 5.634 -3.783 1.00 0.43 C ATOM 283 O ILE A 21 -10.790 5.837 -4.793 1.00 0.50 O ATOM 284 CB ILE A 21 -10.986 3.698 -2.216 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.555 3.313 -2.646 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.642 2.535 -1.511 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.625 4.444 -3.051 1.00 0.43 C ATOM 0 H ILE A 21 -11.015 2.731 -4.619 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.912 4.227 -3.061 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.896 4.538 -1.527 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.089 2.771 -1.823 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.629 2.620 -3.484 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.004 2.198 -0.694 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.607 2.848 -1.113 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.789 1.718 -2.217 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.654 4.035 -3.329 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.050 4.978 -3.900 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.502 5.132 -2.214 1.00 0.43 H new ATOM 299 N PRO A 22 -11.923 6.632 -3.018 1.00 0.52 N ATOM 300 CA PRO A 22 -11.465 8.005 -3.192 1.00 0.60 C ATOM 301 C PRO A 22 -9.981 8.087 -2.854 1.00 0.55 C ATOM 302 O PRO A 22 -9.504 7.370 -1.967 1.00 0.52 O ATOM 303 CB PRO A 22 -12.275 8.796 -2.152 1.00 0.74 C ATOM 304 CG PRO A 22 -13.424 7.921 -1.803 1.00 0.75 C ATOM 305 CD PRO A 22 -12.932 6.515 -1.953 1.00 0.63 C ATOM 0 HA PRO A 22 -11.597 8.378 -4.208 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.672 9.023 -1.273 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.615 9.748 -2.559 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.763 8.109 -0.784 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.272 8.110 -2.461 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.500 6.137 -1.026 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.736 5.833 -2.231 1.00 0.63 H new ATOM 313 N VAL A 23 -9.251 8.966 -3.500 1.00 0.62 N ATOM 314 CA VAL A 23 -7.819 9.041 -3.264 1.00 0.65 C ATOM 315 C VAL A 23 -7.512 9.632 -1.870 1.00 0.73 C ATOM 316 O VAL A 23 -6.433 9.441 -1.310 1.00 1.02 O ATOM 317 CB VAL A 23 -7.046 9.784 -4.408 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.424 11.252 -4.505 1.00 1.48 C ATOM 319 CG2 VAL A 23 -5.544 9.611 -4.269 1.00 1.35 C ATOM 0 H VAL A 23 -9.613 9.631 -4.183 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.445 8.017 -3.277 1.00 0.65 H new ATOM 0 HB VAL A 23 -7.352 9.316 -5.344 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -6.861 11.720 -5.312 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -8.491 11.340 -4.708 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.192 11.750 -3.564 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -5.040 10.139 -5.079 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -5.218 10.018 -3.312 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -5.294 8.551 -4.316 1.00 1.35 H new ATOM 329 N GLU A 24 -8.505 10.273 -1.286 1.00 0.66 N ATOM 330 CA GLU A 24 -8.383 10.824 0.050 1.00 0.76 C ATOM 331 C GLU A 24 -8.759 9.771 1.101 1.00 0.69 C ATOM 332 O GLU A 24 -8.618 10.001 2.298 1.00 0.80 O ATOM 333 CB GLU A 24 -9.306 12.026 0.219 1.00 0.99 C ATOM 334 CG GLU A 24 -10.780 11.677 0.068 1.00 1.22 C ATOM 335 CD GLU A 24 -11.682 12.795 0.467 1.00 1.54 C ATOM 336 OE1 GLU A 24 -11.780 13.071 1.672 1.00 2.03 O ATOM 337 OE2 GLU A 24 -12.339 13.395 -0.397 1.00 1.89 O ATOM 0 H GLU A 24 -9.415 10.426 -1.721 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.347 11.132 0.189 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.142 12.466 1.203 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.042 12.785 -0.517 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -10.980 11.407 -0.969 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.005 10.800 0.675 1.00 1.22 H new ATOM 344 N ASP A 25 -9.244 8.633 0.649 1.00 0.60 N ATOM 345 CA ASP A 25 -9.738 7.606 1.560 1.00 0.64 C ATOM 346 C ASP A 25 -8.598 6.808 2.162 1.00 0.55 C ATOM 347 O ASP A 25 -8.579 6.546 3.369 1.00 0.58 O ATOM 348 CB ASP A 25 -10.714 6.682 0.846 1.00 0.72 C ATOM 349 CG ASP A 25 -11.332 5.649 1.760 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.123 6.004 2.610 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.002 4.442 1.628 1.00 0.98 O ATOM 0 H ASP A 25 -9.309 8.391 -0.340 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.262 8.108 2.373 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.506 7.279 0.395 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.195 6.174 0.033 1.00 0.72 H new ATOM 356 N VAL A 26 -7.646 6.452 1.333 1.00 0.51 N ATOM 357 CA VAL A 26 -6.474 5.698 1.762 1.00 0.47 C ATOM 358 C VAL A 26 -5.457 6.654 2.358 1.00 0.47 C ATOM 359 O VAL A 26 -4.713 7.306 1.641 1.00 0.51 O ATOM 360 CB VAL A 26 -5.841 4.928 0.568 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.606 4.145 0.995 1.00 0.73 C ATOM 362 CG2 VAL A 26 -6.853 3.994 -0.056 1.00 0.70 C ATOM 0 H VAL A 26 -7.655 6.674 0.337 1.00 0.51 H new ATOM 0 HA VAL A 26 -6.780 4.968 2.511 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.532 5.668 -0.170 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.192 3.620 0.134 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -3.860 4.832 1.395 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -4.881 3.422 1.763 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.393 3.464 -0.890 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.192 3.274 0.689 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.705 4.570 -0.418 1.00 0.70 H new ATOM 372 N LYS A 27 -5.532 6.818 3.656 1.00 0.49 N ATOM 373 CA LYS A 27 -4.632 7.675 4.398 1.00 0.54 C ATOM 374 C LYS A 27 -3.983 6.894 5.518 1.00 0.47 C ATOM 375 O LYS A 27 -4.335 5.739 5.734 1.00 0.51 O ATOM 376 CB LYS A 27 -5.372 8.908 4.913 1.00 0.65 C ATOM 377 CG LYS A 27 -5.793 9.840 3.799 1.00 0.83 C ATOM 378 CD LYS A 27 -4.593 10.538 3.178 1.00 1.53 C ATOM 379 CE LYS A 27 -4.930 11.098 1.815 1.00 2.02 C ATOM 380 NZ LYS A 27 -3.903 12.049 1.316 1.00 2.83 N ATOM 0 H LYS A 27 -6.230 6.354 4.238 1.00 0.49 H new ATOM 0 HA LYS A 27 -3.840 8.028 3.737 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.254 8.592 5.470 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.731 9.447 5.610 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.325 9.277 3.033 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -6.488 10.584 4.188 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -4.259 11.343 3.832 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -3.765 9.834 3.090 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -5.035 10.277 1.105 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -5.895 11.603 1.863 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -4.183 12.402 0.379 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -3.819 12.848 1.977 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -2.986 11.563 1.243 1.00 2.83 H new ATOM 394 N LEU A 28 -3.080 7.537 6.250 1.00 0.49 N ATOM 395 CA LEU A 28 -2.236 6.889 7.274 1.00 0.47 C ATOM 396 C LEU A 28 -3.051 6.136 8.321 1.00 0.50 C ATOM 397 O LEU A 28 -2.659 5.052 8.767 1.00 0.56 O ATOM 398 CB LEU A 28 -1.318 7.916 7.990 1.00 0.54 C ATOM 399 CG LEU A 28 -0.188 8.596 7.180 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.702 7.574 6.503 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.706 9.631 6.184 1.00 0.99 C ATOM 0 H LEU A 28 -2.903 8.537 6.155 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.624 6.167 6.734 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.955 8.703 8.393 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.858 7.412 8.840 1.00 0.54 H new ATOM 0 HG LEU A 28 0.417 9.144 7.903 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.484 8.087 5.943 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.157 6.931 7.257 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.106 6.967 5.821 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.134 10.072 5.647 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.377 9.148 5.474 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.245 10.413 6.719 1.00 0.99 H new ATOM 413 N ASP A 29 -4.201 6.684 8.650 1.00 0.56 N ATOM 414 CA ASP A 29 -5.075 6.162 9.700 1.00 0.65 C ATOM 415 C ASP A 29 -5.873 4.934 9.246 1.00 0.61 C ATOM 416 O ASP A 29 -6.585 4.313 10.042 1.00 1.03 O ATOM 417 CB ASP A 29 -6.041 7.265 10.171 1.00 0.87 C ATOM 418 CG ASP A 29 -7.013 7.733 9.093 1.00 1.73 C ATOM 419 OD1 ASP A 29 -6.569 8.382 8.111 1.00 2.34 O ATOM 420 OD2 ASP A 29 -8.227 7.424 9.188 1.00 2.47 O ATOM 0 H ASP A 29 -4.569 7.519 8.193 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.435 5.845 10.524 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.610 6.897 11.025 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.460 8.119 10.519 1.00 0.87 H new ATOM 425 N LYS A 30 -5.738 4.567 8.001 1.00 0.43 N ATOM 426 CA LYS A 30 -6.501 3.468 7.452 1.00 0.39 C ATOM 427 C LYS A 30 -5.647 2.208 7.326 1.00 0.38 C ATOM 428 O LYS A 30 -4.461 2.287 7.059 1.00 0.57 O ATOM 429 CB LYS A 30 -7.027 3.840 6.061 1.00 0.44 C ATOM 430 CG LYS A 30 -7.904 5.085 6.005 1.00 0.51 C ATOM 431 CD LYS A 30 -9.202 4.908 6.767 1.00 0.75 C ATOM 432 CE LYS A 30 -10.074 6.147 6.680 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.566 6.421 5.304 1.00 1.06 N ATOM 0 H LYS A 30 -5.103 5.014 7.339 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.330 3.270 8.132 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -6.176 3.986 5.396 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.596 2.997 5.669 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.356 5.932 6.417 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -8.125 5.324 4.965 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.745 4.051 6.368 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.984 4.688 7.812 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -10.928 6.030 7.348 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.507 7.008 7.035 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.261 7.194 5.331 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -9.767 6.695 4.698 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.015 5.566 4.919 1.00 1.06 H new ATOM 447 N SER A 31 -6.243 1.078 7.593 1.00 0.46 N ATOM 448 CA SER A 31 -5.658 -0.209 7.298 1.00 0.44 C ATOM 449 C SER A 31 -6.442 -0.817 6.130 1.00 0.45 C ATOM 450 O SER A 31 -7.666 -0.569 6.008 1.00 0.57 O ATOM 451 CB SER A 31 -5.663 -1.103 8.544 1.00 0.49 C ATOM 452 OG SER A 31 -5.289 -2.434 8.251 1.00 1.31 O ATOM 0 H SER A 31 -7.164 1.021 8.029 1.00 0.46 H new ATOM 0 HA SER A 31 -4.612 -0.108 7.008 1.00 0.44 H new ATOM 0 HB2 SER A 31 -4.980 -0.691 9.287 1.00 0.49 H new ATOM 0 HB3 SER A 31 -6.658 -1.097 8.989 1.00 0.49 H new ATOM 0 HG SER A 31 -6.045 -3.032 8.427 1.00 1.31 H new ATOM 458 N PHE A 32 -5.778 -1.625 5.311 1.00 0.41 N ATOM 459 CA PHE A 32 -6.322 -2.058 4.027 1.00 0.46 C ATOM 460 C PHE A 32 -7.599 -2.857 4.110 1.00 0.55 C ATOM 461 O PHE A 32 -8.560 -2.519 3.447 1.00 1.03 O ATOM 462 CB PHE A 32 -5.261 -2.704 3.141 1.00 0.51 C ATOM 463 CG PHE A 32 -4.246 -1.705 2.630 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.211 -1.278 3.445 1.00 0.52 C ATOM 465 CD2 PHE A 32 -4.316 -1.210 1.334 1.00 0.55 C ATOM 466 CE1 PHE A 32 -2.273 -0.373 2.986 1.00 0.58 C ATOM 467 CE2 PHE A 32 -3.381 -0.304 0.871 1.00 0.59 C ATOM 468 CZ PHE A 32 -2.402 0.149 1.682 1.00 0.60 C ATOM 0 H PHE A 32 -4.851 -1.998 5.516 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.632 -1.138 3.531 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.747 -3.483 3.704 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.746 -3.190 2.294 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -3.136 -1.658 4.453 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -5.111 -1.537 0.680 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -1.451 -0.069 3.618 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -3.434 0.045 -0.150 1.00 0.59 H new ATOM 0 HZ PHE A 32 -1.719 0.909 1.333 1.00 0.60 H new ATOM 478 N THR A 33 -7.659 -3.862 4.924 1.00 0.47 N ATOM 479 CA THR A 33 -8.904 -4.567 5.030 1.00 0.50 C ATOM 480 C THR A 33 -9.439 -4.489 6.464 1.00 0.60 C ATOM 481 O THR A 33 -9.880 -5.467 7.066 1.00 1.13 O ATOM 482 CB THR A 33 -8.839 -6.016 4.428 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.135 -6.648 4.411 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.842 -6.902 5.153 1.00 1.21 C ATOM 0 H THR A 33 -6.895 -4.206 5.506 1.00 0.47 H new ATOM 0 HA THR A 33 -9.640 -4.067 4.401 1.00 0.50 H new ATOM 0 HB THR A 33 -8.496 -5.896 3.400 1.00 0.65 H new ATOM 0 HG1 THR A 33 -10.527 -6.614 5.308 1.00 1.37 H new ATOM 0 HG21 THR A 33 -7.836 -7.892 4.697 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.846 -6.464 5.081 1.00 1.21 H new ATOM 0 HG23 THR A 33 -8.126 -6.987 6.202 1.00 1.21 H new ATOM 492 N ASP A 34 -9.390 -3.280 6.991 1.00 0.55 N ATOM 493 CA ASP A 34 -9.933 -2.959 8.314 1.00 0.60 C ATOM 494 C ASP A 34 -10.686 -1.670 8.218 1.00 0.58 C ATOM 495 O ASP A 34 -11.797 -1.531 8.721 1.00 0.75 O ATOM 496 CB ASP A 34 -8.847 -2.756 9.378 1.00 0.72 C ATOM 497 CG ASP A 34 -8.075 -3.981 9.771 1.00 1.46 C ATOM 498 OD1 ASP A 34 -8.602 -4.817 10.525 1.00 1.58 O ATOM 499 OD2 ASP A 34 -6.950 -4.163 9.292 1.00 2.31 O ATOM 0 H ASP A 34 -8.971 -2.481 6.516 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.558 -3.801 8.611 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.143 -2.009 9.012 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -9.314 -2.343 10.272 1.00 0.72 H new ATOM 504 N ASP A 35 -10.057 -0.698 7.601 1.00 0.48 N ATOM 505 CA ASP A 35 -10.649 0.616 7.453 1.00 0.50 C ATOM 506 C ASP A 35 -11.057 0.841 6.047 1.00 0.56 C ATOM 507 O ASP A 35 -12.013 1.546 5.779 1.00 0.86 O ATOM 508 CB ASP A 35 -9.682 1.706 7.855 1.00 0.47 C ATOM 509 CG ASP A 35 -9.270 1.623 9.279 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.062 2.016 10.137 1.00 1.67 O ATOM 511 OD2 ASP A 35 -8.149 1.157 9.559 1.00 1.47 O ATOM 0 H ASP A 35 -9.128 -0.791 7.190 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.520 0.654 8.108 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.796 1.649 7.223 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -10.142 2.677 7.672 1.00 0.47 H new ATOM 516 N LEU A 36 -10.321 0.265 5.139 1.00 0.44 N ATOM 517 CA LEU A 36 -10.644 0.386 3.755 1.00 0.49 C ATOM 518 C LEU A 36 -11.569 -0.748 3.395 1.00 0.53 C ATOM 519 O LEU A 36 -11.568 -1.786 4.064 1.00 0.64 O ATOM 520 CB LEU A 36 -9.379 0.336 2.897 1.00 0.51 C ATOM 521 CG LEU A 36 -8.297 1.364 3.219 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.095 1.168 2.317 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.838 2.761 3.069 1.00 0.69 C ATOM 0 H LEU A 36 -9.491 -0.294 5.338 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.128 1.344 3.567 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.943 -0.659 2.990 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.669 0.461 1.854 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.983 1.221 4.253 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.333 1.909 2.560 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.688 0.168 2.465 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.398 1.286 1.277 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.054 3.482 3.302 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.177 2.912 2.044 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.676 2.902 3.752 1.00 0.69 H new ATOM 535 N ASP A 37 -12.341 -0.572 2.362 1.00 0.63 N ATOM 536 CA ASP A 37 -13.301 -1.605 1.922 1.00 0.76 C ATOM 537 C ASP A 37 -12.649 -2.486 0.872 1.00 0.78 C ATOM 538 O ASP A 37 -13.294 -3.249 0.142 1.00 1.33 O ATOM 539 CB ASP A 37 -14.619 -0.988 1.394 1.00 1.14 C ATOM 540 CG ASP A 37 -14.488 -0.174 0.117 1.00 1.49 C ATOM 541 OD1 ASP A 37 -13.980 0.968 0.165 1.00 2.15 O ATOM 542 OD2 ASP A 37 -14.798 -0.698 -0.973 1.00 1.96 O ATOM 0 H ASP A 37 -12.342 0.273 1.791 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.569 -2.213 2.786 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -15.334 -1.792 1.221 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -15.039 -0.350 2.171 1.00 1.14 H new ATOM 547 N VAL A 38 -11.361 -2.421 0.867 1.00 0.65 N ATOM 548 CA VAL A 38 -10.526 -3.135 -0.038 1.00 0.96 C ATOM 549 C VAL A 38 -10.205 -4.472 0.585 1.00 0.89 C ATOM 550 O VAL A 38 -9.413 -4.546 1.520 1.00 1.43 O ATOM 551 CB VAL A 38 -9.211 -2.359 -0.242 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.363 -2.981 -1.348 1.00 2.23 C ATOM 553 CG2 VAL A 38 -9.497 -0.895 -0.520 1.00 2.14 C ATOM 0 H VAL A 38 -10.838 -1.842 1.524 1.00 0.65 H new ATOM 0 HA VAL A 38 -11.028 -3.260 -0.997 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.633 -2.423 0.680 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.443 -2.409 -1.466 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -8.120 -4.010 -1.085 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -8.920 -2.968 -2.285 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -8.557 -0.361 -0.662 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -10.103 -0.808 -1.421 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -10.036 -0.463 0.323 1.00 2.14 H new ATOM 563 N ASP A 39 -10.901 -5.499 0.147 1.00 0.82 N ATOM 564 CA ASP A 39 -10.652 -6.848 0.637 1.00 1.15 C ATOM 565 C ASP A 39 -9.187 -7.220 0.404 1.00 1.18 C ATOM 566 O ASP A 39 -8.562 -6.749 -0.559 1.00 2.04 O ATOM 567 CB ASP A 39 -11.581 -7.861 -0.041 1.00 1.60 C ATOM 568 CG ASP A 39 -11.355 -9.270 0.457 1.00 2.37 C ATOM 569 OD1 ASP A 39 -11.858 -9.613 1.535 1.00 2.78 O ATOM 570 OD2 ASP A 39 -10.666 -10.055 -0.236 1.00 2.96 O ATOM 0 H ASP A 39 -11.645 -5.431 -0.548 1.00 0.82 H new ATOM 0 HA ASP A 39 -10.860 -6.873 1.707 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -12.618 -7.577 0.139 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -11.424 -7.830 -1.119 1.00 1.60 H new ATOM 575 N SER A 40 -8.652 -8.037 1.263 1.00 0.85 N ATOM 576 CA SER A 40 -7.264 -8.396 1.232 1.00 0.86 C ATOM 577 C SER A 40 -6.865 -9.086 -0.067 1.00 0.74 C ATOM 578 O SER A 40 -5.843 -8.753 -0.658 1.00 0.81 O ATOM 579 CB SER A 40 -6.964 -9.230 2.434 1.00 1.19 C ATOM 580 OG SER A 40 -7.898 -10.349 2.502 1.00 1.18 O ATOM 0 H SER A 40 -9.176 -8.480 2.017 1.00 0.85 H new ATOM 0 HA SER A 40 -6.661 -7.488 1.263 1.00 0.86 H new ATOM 0 HB2 SER A 40 -5.940 -9.601 2.385 1.00 1.19 H new ATOM 0 HB3 SER A 40 -7.041 -8.624 3.337 1.00 1.19 H new ATOM 0 HG SER A 40 -7.697 -10.895 3.291 1.00 1.18 H new ATOM 585 N LEU A 41 -7.718 -9.961 -0.575 1.00 0.71 N ATOM 586 CA LEU A 41 -7.405 -10.670 -1.810 1.00 0.70 C ATOM 587 C LEU A 41 -7.344 -9.690 -2.989 1.00 0.65 C ATOM 588 O LEU A 41 -6.688 -9.941 -4.002 1.00 0.71 O ATOM 589 CB LEU A 41 -8.402 -11.809 -2.111 1.00 0.83 C ATOM 590 CG LEU A 41 -8.359 -13.062 -1.211 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.821 -12.773 0.210 1.00 1.29 C ATOM 592 CD2 LEU A 41 -9.183 -14.174 -1.824 1.00 1.34 C ATOM 0 H LEU A 41 -8.620 -10.197 -0.161 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.427 -11.131 -1.671 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -9.409 -11.395 -2.060 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -8.242 -12.131 -3.140 1.00 0.83 H new ATOM 0 HG LEU A 41 -7.318 -13.379 -1.146 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -8.772 -13.687 0.802 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.175 -12.017 0.656 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.848 -12.408 0.192 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -9.145 -15.053 -1.180 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -10.217 -13.845 -1.929 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -8.781 -14.426 -2.805 1.00 1.34 H new ATOM 604 N SER A 42 -8.008 -8.571 -2.824 1.00 0.65 N ATOM 605 CA SER A 42 -8.038 -7.517 -3.798 1.00 0.66 C ATOM 606 C SER A 42 -6.780 -6.632 -3.682 1.00 0.50 C ATOM 607 O SER A 42 -6.280 -6.104 -4.676 1.00 0.47 O ATOM 608 CB SER A 42 -9.289 -6.689 -3.561 1.00 0.84 C ATOM 609 OG SER A 42 -10.461 -7.498 -3.680 1.00 1.26 O ATOM 0 H SER A 42 -8.554 -8.368 -1.987 1.00 0.65 H new ATOM 0 HA SER A 42 -8.052 -7.941 -4.802 1.00 0.66 H new ATOM 0 HB2 SER A 42 -9.251 -6.239 -2.569 1.00 0.84 H new ATOM 0 HB3 SER A 42 -9.331 -5.871 -4.280 1.00 0.84 H new ATOM 0 HG SER A 42 -11.256 -6.947 -3.522 1.00 1.26 H new ATOM 615 N MET A 43 -6.244 -6.516 -2.468 1.00 0.45 N ATOM 616 CA MET A 43 -5.064 -5.681 -2.207 1.00 0.35 C ATOM 617 C MET A 43 -3.841 -6.335 -2.850 1.00 0.30 C ATOM 618 O MET A 43 -2.876 -5.678 -3.202 1.00 0.27 O ATOM 619 CB MET A 43 -4.866 -5.499 -0.685 1.00 0.39 C ATOM 620 CG MET A 43 -3.960 -4.325 -0.252 1.00 0.47 C ATOM 621 SD MET A 43 -2.201 -4.472 -0.671 1.00 0.97 S ATOM 622 CE MET A 43 -1.734 -5.943 0.241 1.00 0.54 C ATOM 0 H MET A 43 -6.608 -6.992 -1.642 1.00 0.45 H new ATOM 0 HA MET A 43 -5.205 -4.692 -2.642 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.845 -5.364 -0.226 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.449 -6.421 -0.281 1.00 0.39 H new ATOM 0 HG2 MET A 43 -4.344 -3.411 -0.704 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.046 -4.207 0.828 1.00 0.47 H new ATOM 0 HE1 MET A 43 -0.690 -5.867 0.545 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.363 -6.038 1.126 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.864 -6.820 -0.392 1.00 0.54 H new ATOM 632 N VAL A 44 -3.935 -7.624 -3.059 1.00 0.36 N ATOM 633 CA VAL A 44 -2.873 -8.411 -3.698 1.00 0.39 C ATOM 634 C VAL A 44 -2.540 -7.838 -5.100 1.00 0.37 C ATOM 635 O VAL A 44 -1.386 -7.866 -5.549 1.00 0.42 O ATOM 636 CB VAL A 44 -3.273 -9.914 -3.825 1.00 0.54 C ATOM 637 CG1 VAL A 44 -2.135 -10.757 -4.396 1.00 0.65 C ATOM 638 CG2 VAL A 44 -3.715 -10.469 -2.485 1.00 0.57 C ATOM 0 H VAL A 44 -4.751 -8.175 -2.794 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.990 -8.344 -3.063 1.00 0.39 H new ATOM 0 HB VAL A 44 -4.110 -9.967 -4.522 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -2.454 -11.797 -4.469 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -1.871 -10.388 -5.387 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -1.267 -10.688 -3.740 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -3.989 -11.518 -2.598 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.898 -10.383 -1.768 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -4.576 -9.906 -2.124 1.00 0.57 H new ATOM 648 N GLU A 45 -3.549 -7.279 -5.759 1.00 0.37 N ATOM 649 CA GLU A 45 -3.370 -6.679 -7.077 1.00 0.38 C ATOM 650 C GLU A 45 -2.650 -5.338 -6.940 1.00 0.31 C ATOM 651 O GLU A 45 -1.890 -4.924 -7.806 1.00 0.37 O ATOM 652 CB GLU A 45 -4.728 -6.476 -7.758 1.00 0.46 C ATOM 653 CG GLU A 45 -5.554 -7.748 -7.896 1.00 0.64 C ATOM 654 CD GLU A 45 -4.837 -8.820 -8.674 1.00 1.21 C ATOM 655 OE1 GLU A 45 -4.065 -9.600 -8.079 1.00 2.06 O ATOM 656 OE2 GLU A 45 -5.037 -8.916 -9.891 1.00 1.31 O ATOM 0 H GLU A 45 -4.503 -7.229 -5.401 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.768 -7.349 -7.691 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -5.301 -5.744 -7.189 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -4.565 -6.053 -8.749 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -5.800 -8.127 -6.904 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -6.497 -7.513 -8.391 1.00 0.64 H new ATOM 663 N VAL A 46 -2.861 -4.714 -5.806 1.00 0.30 N ATOM 664 CA VAL A 46 -2.307 -3.417 -5.486 1.00 0.30 C ATOM 665 C VAL A 46 -0.829 -3.540 -5.152 1.00 0.29 C ATOM 666 O VAL A 46 0.003 -2.921 -5.799 1.00 0.39 O ATOM 667 CB VAL A 46 -3.045 -2.798 -4.270 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.454 -1.444 -3.897 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.530 -2.670 -4.555 1.00 1.43 C ATOM 0 H VAL A 46 -3.437 -5.103 -5.060 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.433 -2.773 -6.356 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.911 -3.468 -3.421 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -2.992 -1.035 -3.042 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.402 -1.565 -3.640 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.545 -0.762 -4.742 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -5.030 -2.234 -3.690 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.680 -2.028 -5.423 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.948 -3.656 -4.757 1.00 1.43 H new ATOM 679 N VAL A 47 -0.517 -4.336 -4.136 1.00 0.28 N ATOM 680 CA VAL A 47 0.855 -4.482 -3.636 1.00 0.33 C ATOM 681 C VAL A 47 1.881 -4.814 -4.748 1.00 0.31 C ATOM 682 O VAL A 47 2.950 -4.211 -4.799 1.00 0.35 O ATOM 683 CB VAL A 47 0.954 -5.499 -2.452 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.538 -6.911 -2.858 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.351 -5.492 -1.848 1.00 0.53 C ATOM 0 H VAL A 47 -1.202 -4.899 -3.633 1.00 0.28 H new ATOM 0 HA VAL A 47 1.124 -3.499 -3.249 1.00 0.33 H new ATOM 0 HB VAL A 47 0.246 -5.171 -1.691 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.625 -7.577 -2.000 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.495 -6.900 -3.205 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.187 -7.265 -3.659 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.396 -6.207 -1.026 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.079 -5.770 -2.611 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.581 -4.494 -1.474 1.00 0.53 H new ATOM 695 N VAL A 48 1.522 -5.706 -5.672 1.00 0.29 N ATOM 696 CA VAL A 48 2.447 -6.094 -6.736 1.00 0.31 C ATOM 697 C VAL A 48 2.662 -4.930 -7.738 1.00 0.29 C ATOM 698 O VAL A 48 3.695 -4.833 -8.402 1.00 0.35 O ATOM 699 CB VAL A 48 1.993 -7.401 -7.470 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.700 -7.198 -8.250 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.097 -7.961 -8.363 1.00 0.65 C ATOM 0 H VAL A 48 0.613 -6.167 -5.706 1.00 0.29 H new ATOM 0 HA VAL A 48 3.404 -6.315 -6.263 1.00 0.31 H new ATOM 0 HB VAL A 48 1.790 -8.141 -6.696 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.422 -8.130 -8.743 1.00 0.61 H new ATOM 0 HG12 VAL A 48 -0.094 -6.899 -7.566 1.00 0.61 H new ATOM 0 HG13 VAL A 48 0.846 -6.420 -9.000 1.00 0.61 H new ATOM 0 HG21 VAL A 48 2.743 -8.867 -8.854 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.366 -7.221 -9.117 1.00 0.65 H new ATOM 0 HG23 VAL A 48 3.972 -8.195 -7.756 1.00 0.65 H new ATOM 711 N ALA A 49 1.706 -4.022 -7.791 1.00 0.28 N ATOM 712 CA ALA A 49 1.809 -2.856 -8.644 1.00 0.28 C ATOM 713 C ALA A 49 2.559 -1.757 -7.903 1.00 0.27 C ATOM 714 O ALA A 49 3.248 -0.936 -8.498 1.00 0.32 O ATOM 715 CB ALA A 49 0.424 -2.375 -9.060 1.00 0.32 C ATOM 0 H ALA A 49 0.844 -4.072 -7.249 1.00 0.28 H new ATOM 0 HA ALA A 49 2.358 -3.118 -9.548 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.520 -1.498 -9.700 1.00 0.32 H new ATOM 0 HB2 ALA A 49 -0.088 -3.168 -9.605 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.152 -2.114 -8.172 1.00 0.32 H new ATOM 721 N ALA A 50 2.440 -1.769 -6.593 1.00 0.27 N ATOM 722 CA ALA A 50 3.087 -0.785 -5.751 1.00 0.30 C ATOM 723 C ALA A 50 4.594 -1.001 -5.697 1.00 0.29 C ATOM 724 O ALA A 50 5.355 -0.036 -5.516 1.00 0.32 O ATOM 725 CB ALA A 50 2.480 -0.785 -4.356 1.00 0.36 C ATOM 0 H ALA A 50 1.892 -2.461 -6.081 1.00 0.27 H new ATOM 0 HA ALA A 50 2.916 0.196 -6.194 1.00 0.30 H new ATOM 0 HB1 ALA A 50 2.982 -0.038 -3.741 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.418 -0.548 -4.421 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.605 -1.769 -3.905 1.00 0.36 H new ATOM 731 N GLU A 51 5.020 -2.259 -5.884 1.00 0.32 N ATOM 732 CA GLU A 51 6.445 -2.616 -5.906 1.00 0.39 C ATOM 733 C GLU A 51 7.188 -1.759 -6.925 1.00 0.39 C ATOM 734 O GLU A 51 8.203 -1.127 -6.623 1.00 0.47 O ATOM 735 CB GLU A 51 6.640 -4.078 -6.297 1.00 0.49 C ATOM 736 CG GLU A 51 5.959 -5.098 -5.407 1.00 0.36 C ATOM 737 CD GLU A 51 6.219 -6.505 -5.886 1.00 0.44 C ATOM 738 OE1 GLU A 51 6.592 -6.700 -7.054 1.00 0.70 O ATOM 739 OE2 GLU A 51 6.016 -7.457 -5.104 1.00 0.78 O ATOM 0 H GLU A 51 4.392 -3.051 -6.023 1.00 0.32 H new ATOM 0 HA GLU A 51 6.836 -2.447 -4.903 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.276 -4.213 -7.316 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.709 -4.291 -6.309 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.318 -4.988 -4.384 1.00 0.36 H new ATOM 0 HG3 GLU A 51 4.885 -4.910 -5.390 1.00 0.36 H new ATOM 746 N GLU A 52 6.662 -1.728 -8.121 1.00 0.36 N ATOM 747 CA GLU A 52 7.252 -0.971 -9.199 1.00 0.41 C ATOM 748 C GLU A 52 6.903 0.509 -9.097 1.00 0.38 C ATOM 749 O GLU A 52 7.695 1.359 -9.475 1.00 0.47 O ATOM 750 CB GLU A 52 6.806 -1.525 -10.548 1.00 0.49 C ATOM 751 CG GLU A 52 5.301 -1.647 -10.692 1.00 0.53 C ATOM 752 CD GLU A 52 4.880 -1.931 -12.094 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.782 -0.981 -12.890 1.00 0.94 O ATOM 754 OE2 GLU A 52 4.647 -3.096 -12.431 1.00 0.96 O ATOM 0 H GLU A 52 5.811 -2.227 -8.378 1.00 0.36 H new ATOM 0 HA GLU A 52 8.335 -1.068 -9.117 1.00 0.41 H new ATOM 0 HB2 GLU A 52 7.186 -0.879 -11.339 1.00 0.49 H new ATOM 0 HB3 GLU A 52 7.256 -2.507 -10.694 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.941 -2.443 -10.040 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.831 -0.723 -10.356 1.00 0.53 H new ATOM 761 N ARG A 53 5.722 0.799 -8.566 1.00 0.32 N ATOM 762 CA ARG A 53 5.217 2.163 -8.462 1.00 0.36 C ATOM 763 C ARG A 53 6.111 3.009 -7.562 1.00 0.35 C ATOM 764 O ARG A 53 6.466 4.130 -7.904 1.00 0.48 O ATOM 765 CB ARG A 53 3.790 2.153 -7.893 1.00 0.46 C ATOM 766 CG ARG A 53 3.029 3.470 -8.014 1.00 1.11 C ATOM 767 CD ARG A 53 2.724 3.784 -9.472 1.00 1.21 C ATOM 768 NE ARG A 53 1.854 4.964 -9.639 1.00 2.17 N ATOM 769 CZ ARG A 53 1.062 5.159 -10.714 1.00 2.78 C ATOM 770 NH1 ARG A 53 0.924 4.194 -11.622 1.00 2.79 N ATOM 771 NH2 ARG A 53 0.358 6.277 -10.849 1.00 3.85 N ATOM 0 H ARG A 53 5.086 0.094 -8.194 1.00 0.32 H new ATOM 0 HA ARG A 53 5.213 2.598 -9.461 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.220 1.375 -8.401 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.839 1.876 -6.840 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.100 3.412 -7.447 1.00 1.11 H new ATOM 0 HG3 ARG A 53 3.618 4.277 -7.579 1.00 1.11 H new ATOM 0 HD2 ARG A 53 3.660 3.951 -10.005 1.00 1.21 H new ATOM 0 HD3 ARG A 53 2.246 2.919 -9.932 1.00 1.21 H new ATOM 0 HE ARG A 53 1.851 5.670 -8.903 1.00 2.17 H new ATOM 0 HH11 ARG A 53 1.417 3.309 -11.504 1.00 2.79 H new ATOM 0 HH12 ARG A 53 0.326 4.340 -12.435 1.00 2.79 H new ATOM 0 HH21 ARG A 53 0.412 7.003 -10.134 1.00 3.85 H new ATOM 0 HH22 ARG A 53 -0.236 6.410 -11.667 1.00 3.85 H new ATOM 785 N PHE A 54 6.481 2.465 -6.420 1.00 0.29 N ATOM 786 CA PHE A 54 7.263 3.221 -5.464 1.00 0.30 C ATOM 787 C PHE A 54 8.720 2.804 -5.461 1.00 0.33 C ATOM 788 O PHE A 54 9.485 3.264 -4.616 1.00 0.40 O ATOM 789 CB PHE A 54 6.683 3.081 -4.068 1.00 0.31 C ATOM 790 CG PHE A 54 5.259 3.470 -3.986 1.00 0.30 C ATOM 791 CD1 PHE A 54 4.890 4.784 -4.172 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.285 2.532 -3.726 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.581 5.157 -4.094 1.00 0.39 C ATOM 794 CE2 PHE A 54 2.972 2.899 -3.648 1.00 0.38 C ATOM 795 CZ PHE A 54 2.610 4.169 -3.835 1.00 0.37 C ATOM 0 H PHE A 54 6.256 1.512 -6.134 1.00 0.29 H new ATOM 0 HA PHE A 54 7.217 4.266 -5.771 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.790 2.047 -3.739 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.261 3.696 -3.378 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.646 5.527 -4.382 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.562 1.498 -3.583 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.294 6.189 -4.228 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.220 2.154 -3.433 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.566 4.442 -3.788 1.00 0.37 H new ATOM 805 N ASP A 55 9.091 1.924 -6.409 1.00 0.36 N ATOM 806 CA ASP A 55 10.491 1.445 -6.573 1.00 0.44 C ATOM 807 C ASP A 55 10.947 0.662 -5.314 1.00 0.46 C ATOM 808 O ASP A 55 12.110 0.688 -4.891 1.00 0.77 O ATOM 809 CB ASP A 55 11.413 2.653 -6.876 1.00 0.53 C ATOM 810 CG ASP A 55 12.834 2.277 -7.247 1.00 1.14 C ATOM 811 OD1 ASP A 55 13.057 1.722 -8.334 1.00 1.23 O ATOM 812 OD2 ASP A 55 13.761 2.504 -6.425 1.00 1.95 O ATOM 0 H ASP A 55 8.439 1.522 -7.083 1.00 0.36 H new ATOM 0 HA ASP A 55 10.551 0.754 -7.414 1.00 0.44 H new ATOM 0 HB2 ASP A 55 10.978 3.231 -7.691 1.00 0.53 H new ATOM 0 HB3 ASP A 55 11.438 3.304 -6.002 1.00 0.53 H new ATOM 817 N VAL A 56 10.030 -0.094 -4.771 1.00 0.35 N ATOM 818 CA VAL A 56 10.261 -0.824 -3.557 1.00 0.40 C ATOM 819 C VAL A 56 9.810 -2.274 -3.699 1.00 0.52 C ATOM 820 O VAL A 56 8.620 -2.587 -3.761 1.00 1.14 O ATOM 821 CB VAL A 56 9.579 -0.125 -2.352 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.094 0.079 -2.581 1.00 1.00 C ATOM 823 CG2 VAL A 56 9.831 -0.882 -1.057 1.00 1.37 C ATOM 0 H VAL A 56 9.097 -0.220 -5.162 1.00 0.35 H new ATOM 0 HA VAL A 56 11.334 -0.834 -3.363 1.00 0.40 H new ATOM 0 HB VAL A 56 10.032 0.862 -2.259 1.00 0.55 H new ATOM 0 HG11 VAL A 56 7.656 0.571 -1.713 1.00 1.00 H new ATOM 0 HG12 VAL A 56 7.944 0.700 -3.464 1.00 1.00 H new ATOM 0 HG13 VAL A 56 7.613 -0.887 -2.731 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.340 -0.366 -0.232 1.00 1.37 H new ATOM 0 HG22 VAL A 56 9.431 -1.892 -1.142 1.00 1.37 H new ATOM 0 HG23 VAL A 56 10.903 -0.931 -0.867 1.00 1.37 H new ATOM 833 N LYS A 57 10.764 -3.134 -3.839 1.00 0.41 N ATOM 834 CA LYS A 57 10.500 -4.549 -3.919 1.00 0.40 C ATOM 835 C LYS A 57 10.105 -5.055 -2.544 1.00 0.45 C ATOM 836 O LYS A 57 10.958 -5.325 -1.697 1.00 0.67 O ATOM 837 CB LYS A 57 11.716 -5.311 -4.462 1.00 0.57 C ATOM 838 CG LYS A 57 11.528 -6.827 -4.535 1.00 1.30 C ATOM 839 CD LYS A 57 12.739 -7.519 -5.145 1.00 1.77 C ATOM 840 CE LYS A 57 14.017 -7.223 -4.370 1.00 2.45 C ATOM 841 NZ LYS A 57 15.181 -7.921 -4.950 1.00 3.34 N ATOM 0 H LYS A 57 11.751 -2.885 -3.902 1.00 0.41 H new ATOM 0 HA LYS A 57 9.680 -4.723 -4.616 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.949 -4.937 -5.459 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.578 -5.094 -3.831 1.00 0.57 H new ATOM 0 HG2 LYS A 57 11.351 -7.220 -3.534 1.00 1.30 H new ATOM 0 HG3 LYS A 57 10.642 -7.055 -5.128 1.00 1.30 H new ATOM 0 HD2 LYS A 57 12.569 -8.595 -5.166 1.00 1.77 H new ATOM 0 HD3 LYS A 57 12.859 -7.195 -6.179 1.00 1.77 H new ATOM 0 HE2 LYS A 57 14.201 -6.149 -4.368 1.00 2.45 H new ATOM 0 HE3 LYS A 57 13.891 -7.527 -3.331 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 16.032 -7.696 -4.396 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 15.016 -8.948 -4.929 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 15.316 -7.612 -5.934 1.00 3.34 H new ATOM 855 N ILE A 58 8.822 -5.093 -2.307 1.00 0.36 N ATOM 856 CA ILE A 58 8.272 -5.528 -1.050 1.00 0.42 C ATOM 857 C ILE A 58 8.066 -7.030 -1.084 1.00 0.46 C ATOM 858 O ILE A 58 7.246 -7.526 -1.863 1.00 0.52 O ATOM 859 CB ILE A 58 6.917 -4.820 -0.763 1.00 0.47 C ATOM 860 CG1 ILE A 58 7.112 -3.301 -0.734 1.00 0.48 C ATOM 861 CG2 ILE A 58 6.307 -5.309 0.551 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.835 -2.513 -0.558 1.00 0.57 C ATOM 0 H ILE A 58 8.118 -4.819 -2.992 1.00 0.36 H new ATOM 0 HA ILE A 58 8.971 -5.267 -0.255 1.00 0.42 H new ATOM 0 HB ILE A 58 6.224 -5.071 -1.566 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.795 -3.050 0.078 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.592 -2.990 -1.662 1.00 0.48 H new ATOM 0 HG21 ILE A 58 5.361 -4.797 0.726 1.00 0.55 H new ATOM 0 HG22 ILE A 58 6.133 -6.383 0.494 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.992 -5.096 1.372 1.00 0.55 H new ATOM 0 HD11 ILE A 58 6.063 -1.447 -0.548 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.156 -2.731 -1.383 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.363 -2.791 0.384 1.00 0.57 H new ATOM 874 N PRO A 59 8.828 -7.775 -0.281 1.00 0.47 N ATOM 875 CA PRO A 59 8.716 -9.225 -0.213 1.00 0.53 C ATOM 876 C PRO A 59 7.352 -9.636 0.308 1.00 0.53 C ATOM 877 O PRO A 59 6.767 -8.938 1.149 1.00 0.46 O ATOM 878 CB PRO A 59 9.806 -9.627 0.793 1.00 0.59 C ATOM 879 CG PRO A 59 10.722 -8.463 0.840 1.00 0.63 C ATOM 880 CD PRO A 59 9.857 -7.268 0.633 1.00 0.50 C ATOM 0 HA PRO A 59 8.832 -9.700 -1.187 1.00 0.53 H new ATOM 0 HB2 PRO A 59 9.381 -9.836 1.775 1.00 0.59 H new ATOM 0 HB3 PRO A 59 10.328 -10.529 0.472 1.00 0.59 H new ATOM 0 HG2 PRO A 59 11.241 -8.411 1.797 1.00 0.63 H new ATOM 0 HG3 PRO A 59 11.486 -8.533 0.066 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.428 -6.911 1.569 1.00 0.50 H new ATOM 0 HD3 PRO A 59 10.411 -6.436 0.199 1.00 0.50 H new ATOM 888 N ASP A 60 6.855 -10.761 -0.180 1.00 0.68 N ATOM 889 CA ASP A 60 5.537 -11.304 0.208 1.00 0.77 C ATOM 890 C ASP A 60 5.424 -11.444 1.720 1.00 0.70 C ATOM 891 O ASP A 60 4.346 -11.267 2.295 1.00 0.69 O ATOM 892 CB ASP A 60 5.272 -12.674 -0.449 1.00 1.08 C ATOM 893 CG ASP A 60 5.156 -12.630 -1.959 1.00 1.50 C ATOM 894 OD1 ASP A 60 6.185 -12.787 -2.654 1.00 2.30 O ATOM 895 OD2 ASP A 60 4.028 -12.454 -2.482 1.00 1.84 O ATOM 0 H ASP A 60 7.348 -11.337 -0.862 1.00 0.68 H new ATOM 0 HA ASP A 60 4.789 -10.594 -0.145 1.00 0.77 H new ATOM 0 HB2 ASP A 60 6.078 -13.356 -0.178 1.00 1.08 H new ATOM 0 HB3 ASP A 60 4.352 -13.089 -0.038 1.00 1.08 H new ATOM 900 N ASP A 61 6.551 -11.745 2.356 1.00 0.75 N ATOM 901 CA ASP A 61 6.625 -11.871 3.815 1.00 0.85 C ATOM 902 C ASP A 61 6.300 -10.546 4.488 1.00 0.71 C ATOM 903 O ASP A 61 5.520 -10.496 5.436 1.00 0.79 O ATOM 904 CB ASP A 61 8.013 -12.341 4.279 1.00 1.13 C ATOM 905 CG ASP A 61 8.360 -13.758 3.880 1.00 1.80 C ATOM 906 OD1 ASP A 61 8.072 -14.697 4.653 1.00 2.31 O ATOM 907 OD2 ASP A 61 8.973 -13.954 2.803 1.00 2.38 O ATOM 0 H ASP A 61 7.438 -11.909 1.881 1.00 0.75 H new ATOM 0 HA ASP A 61 5.889 -12.621 4.104 1.00 0.85 H new ATOM 0 HB2 ASP A 61 8.766 -11.667 3.871 1.00 1.13 H new ATOM 0 HB3 ASP A 61 8.067 -12.259 5.365 1.00 1.13 H new ATOM 912 N ASP A 62 6.868 -9.470 3.964 1.00 0.60 N ATOM 913 CA ASP A 62 6.666 -8.129 4.521 1.00 0.62 C ATOM 914 C ASP A 62 5.283 -7.614 4.257 1.00 0.51 C ATOM 915 O ASP A 62 4.752 -6.852 5.048 1.00 0.61 O ATOM 916 CB ASP A 62 7.704 -7.118 4.028 1.00 0.74 C ATOM 917 CG ASP A 62 9.037 -7.277 4.696 1.00 0.82 C ATOM 918 OD1 ASP A 62 9.234 -6.726 5.793 1.00 1.17 O ATOM 919 OD2 ASP A 62 9.918 -7.972 4.127 1.00 1.52 O ATOM 0 H ASP A 62 7.478 -9.494 3.147 1.00 0.60 H new ATOM 0 HA ASP A 62 6.797 -8.239 5.598 1.00 0.62 H new ATOM 0 HB2 ASP A 62 7.828 -7.228 2.951 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.333 -6.108 4.205 1.00 0.74 H new ATOM 924 N VAL A 63 4.692 -8.042 3.156 1.00 0.43 N ATOM 925 CA VAL A 63 3.315 -7.668 2.816 1.00 0.46 C ATOM 926 C VAL A 63 2.375 -8.163 3.919 1.00 0.46 C ATOM 927 O VAL A 63 1.472 -7.456 4.358 1.00 0.55 O ATOM 928 CB VAL A 63 2.883 -8.295 1.463 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.463 -7.887 1.096 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.842 -7.893 0.366 1.00 0.73 C ATOM 0 H VAL A 63 5.140 -8.653 2.473 1.00 0.43 H new ATOM 0 HA VAL A 63 3.263 -6.583 2.727 1.00 0.46 H new ATOM 0 HB VAL A 63 2.906 -9.379 1.573 1.00 0.53 H new ATOM 0 HG11 VAL A 63 1.188 -8.341 0.144 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.775 -8.225 1.871 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.407 -6.802 1.010 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.525 -8.341 -0.576 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.848 -6.807 0.268 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.845 -8.241 0.614 1.00 0.73 H new ATOM 940 N LYS A 64 2.641 -9.367 4.385 1.00 0.46 N ATOM 941 CA LYS A 64 1.851 -9.985 5.436 1.00 0.55 C ATOM 942 C LYS A 64 2.193 -9.393 6.803 1.00 0.54 C ATOM 943 O LYS A 64 1.473 -9.588 7.772 1.00 0.63 O ATOM 944 CB LYS A 64 2.066 -11.499 5.438 1.00 0.68 C ATOM 945 CG LYS A 64 1.688 -12.173 4.129 1.00 0.77 C ATOM 946 CD LYS A 64 1.943 -13.666 4.181 1.00 0.99 C ATOM 947 CE LYS A 64 1.614 -14.341 2.858 1.00 1.17 C ATOM 948 NZ LYS A 64 2.455 -13.841 1.744 1.00 1.24 N ATOM 0 H LYS A 64 3.410 -9.946 4.047 1.00 0.46 H new ATOM 0 HA LYS A 64 0.799 -9.780 5.237 1.00 0.55 H new ATOM 0 HB2 LYS A 64 3.114 -11.708 5.654 1.00 0.68 H new ATOM 0 HB3 LYS A 64 1.480 -11.939 6.245 1.00 0.68 H new ATOM 0 HG2 LYS A 64 0.635 -11.990 3.915 1.00 0.77 H new ATOM 0 HG3 LYS A 64 2.261 -11.733 3.313 1.00 0.77 H new ATOM 0 HD2 LYS A 64 2.988 -13.848 4.432 1.00 0.99 H new ATOM 0 HD3 LYS A 64 1.343 -14.110 4.975 1.00 0.99 H new ATOM 0 HE2 LYS A 64 1.751 -15.418 2.958 1.00 1.17 H new ATOM 0 HE3 LYS A 64 0.563 -14.175 2.620 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 2.893 -14.645 1.252 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.864 -13.306 1.076 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 3.199 -13.220 2.122 1.00 1.24 H new ATOM 962 N ASN A 65 3.283 -8.663 6.868 1.00 0.50 N ATOM 963 CA ASN A 65 3.706 -8.047 8.113 1.00 0.56 C ATOM 964 C ASN A 65 3.104 -6.659 8.263 1.00 0.52 C ATOM 965 O ASN A 65 2.912 -6.166 9.383 1.00 0.65 O ATOM 966 CB ASN A 65 5.245 -8.007 8.222 1.00 0.64 C ATOM 967 CG ASN A 65 5.745 -7.324 9.498 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.828 -7.943 10.556 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.153 -6.088 9.399 1.00 2.07 N ATOM 0 H ASN A 65 3.896 -8.479 6.074 1.00 0.50 H new ATOM 0 HA ASN A 65 3.336 -8.661 8.934 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.631 -9.026 8.188 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.650 -7.484 7.356 1.00 0.64 H new ATOM 0 HD21 ASN A 65 6.551 -5.616 10.211 1.00 2.07 H new ATOM 0 HD22 ASN A 65 6.074 -5.594 8.510 1.00 2.07 H new ATOM 976 N LEU A 66 2.757 -6.048 7.148 1.00 0.43 N ATOM 977 CA LEU A 66 2.212 -4.711 7.161 1.00 0.43 C ATOM 978 C LEU A 66 0.750 -4.741 7.585 1.00 0.43 C ATOM 979 O LEU A 66 0.135 -5.816 7.670 1.00 0.47 O ATOM 980 CB LEU A 66 2.371 -4.044 5.788 1.00 0.44 C ATOM 981 CG LEU A 66 3.809 -3.885 5.276 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.816 -3.254 3.900 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.645 -3.059 6.242 1.00 0.60 C ATOM 0 H LEU A 66 2.844 -6.461 6.219 1.00 0.43 H new ATOM 0 HA LEU A 66 2.768 -4.118 7.887 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.809 -4.626 5.057 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.911 -3.057 5.831 1.00 0.44 H new ATOM 0 HG LEU A 66 4.253 -4.878 5.207 1.00 0.50 H new ATOM 0 HD11 LEU A 66 4.844 -3.149 3.553 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.262 -3.887 3.207 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.347 -2.271 3.948 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.659 -2.962 5.855 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.202 -2.069 6.352 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.673 -3.553 7.213 1.00 0.60 H new ATOM 995 N LYS A 67 0.196 -3.581 7.843 1.00 0.45 N ATOM 996 CA LYS A 67 -1.173 -3.480 8.300 1.00 0.50 C ATOM 997 C LYS A 67 -1.848 -2.189 7.835 1.00 0.43 C ATOM 998 O LYS A 67 -2.627 -2.201 6.884 1.00 0.52 O ATOM 999 CB LYS A 67 -1.249 -3.714 9.828 1.00 0.64 C ATOM 1000 CG LYS A 67 -0.201 -2.959 10.640 1.00 0.85 C ATOM 1001 CD LYS A 67 -0.140 -3.479 12.061 1.00 0.88 C ATOM 1002 CE LYS A 67 0.945 -2.790 12.866 1.00 1.86 C ATOM 1003 NZ LYS A 67 1.084 -3.378 14.214 1.00 2.69 N ATOM 0 H LYS A 67 0.675 -2.686 7.744 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.754 -4.275 7.832 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -2.239 -3.423 10.178 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.142 -4.781 10.025 1.00 0.64 H new ATOM 0 HG2 LYS A 67 0.776 -3.064 10.168 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -0.438 -1.895 10.648 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -1.104 -3.327 12.546 1.00 0.88 H new ATOM 0 HD3 LYS A 67 0.044 -4.553 12.048 1.00 0.88 H new ATOM 0 HE2 LYS A 67 1.895 -2.866 12.336 1.00 1.86 H new ATOM 0 HE3 LYS A 67 0.714 -1.729 12.954 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 1.835 -2.881 14.734 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 0.185 -3.283 14.729 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 1.330 -4.385 14.130 1.00 2.69 H new ATOM 1017 N THR A 68 -1.517 -1.085 8.439 1.00 0.37 N ATOM 1018 CA THR A 68 -2.121 0.156 8.064 1.00 0.35 C ATOM 1019 C THR A 68 -1.366 0.777 6.902 1.00 0.32 C ATOM 1020 O THR A 68 -0.302 0.279 6.503 1.00 0.33 O ATOM 1021 CB THR A 68 -2.111 1.147 9.242 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.757 1.337 9.667 1.00 0.36 O ATOM 1023 CG2 THR A 68 -2.931 0.625 10.408 1.00 0.46 C ATOM 0 H THR A 68 -0.833 -1.020 9.192 1.00 0.37 H new ATOM 0 HA THR A 68 -3.151 -0.050 7.772 1.00 0.35 H new ATOM 0 HB THR A 68 -2.550 2.088 8.912 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.735 1.968 10.417 1.00 0.36 H new ATOM 0 HG21 THR A 68 -2.904 1.347 11.224 1.00 0.46 H new ATOM 0 HG22 THR A 68 -3.963 0.476 10.089 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.516 -0.323 10.749 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.874 1.875 6.397 1.00 0.33 N ATOM 1032 CA VAL A 69 -1.217 2.640 5.414 1.00 0.33 C ATOM 1033 C VAL A 69 -0.019 3.309 6.087 1.00 0.34 C ATOM 1034 O VAL A 69 1.059 3.403 5.511 1.00 0.36 O ATOM 1035 CB VAL A 69 -2.204 3.688 4.856 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -1.543 4.614 3.887 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -3.382 2.995 4.197 1.00 0.56 C ATOM 0 H VAL A 69 -2.778 2.254 6.678 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.872 2.026 4.582 1.00 0.33 H new ATOM 0 HB VAL A 69 -2.559 4.288 5.694 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -2.272 5.336 3.518 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -0.730 5.142 4.385 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -1.144 4.041 3.050 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -4.072 3.743 3.807 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -3.025 2.369 3.379 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -3.896 2.375 4.931 1.00 0.56 H new ATOM 1047 N GLY A 70 -0.217 3.716 7.338 1.00 0.36 N ATOM 1048 CA GLY A 70 0.841 4.324 8.121 1.00 0.38 C ATOM 1049 C GLY A 70 2.001 3.379 8.368 1.00 0.39 C ATOM 1050 O GLY A 70 3.159 3.790 8.363 1.00 0.46 O ATOM 0 H GLY A 70 -1.108 3.633 7.828 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.205 5.213 7.605 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.436 4.654 9.078 1.00 0.38 H new ATOM 1054 N ASP A 71 1.704 2.116 8.581 1.00 0.42 N ATOM 1055 CA ASP A 71 2.753 1.133 8.807 1.00 0.50 C ATOM 1056 C ASP A 71 3.417 0.757 7.496 1.00 0.49 C ATOM 1057 O ASP A 71 4.645 0.583 7.427 1.00 0.58 O ATOM 1058 CB ASP A 71 2.205 -0.121 9.487 1.00 0.62 C ATOM 1059 CG ASP A 71 3.307 -1.052 9.941 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.920 -0.773 10.990 1.00 1.00 O ATOM 1061 OD2 ASP A 71 3.580 -2.060 9.272 1.00 1.62 O ATOM 0 H ASP A 71 0.755 1.743 8.603 1.00 0.42 H new ATOM 0 HA ASP A 71 3.492 1.585 9.469 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.599 0.169 10.346 1.00 0.62 H new ATOM 0 HB3 ASP A 71 1.547 -0.649 8.796 1.00 0.62 H new ATOM 1066 N ALA A 72 2.609 0.692 6.442 1.00 0.43 N ATOM 1067 CA ALA A 72 3.076 0.298 5.129 1.00 0.48 C ATOM 1068 C ALA A 72 4.042 1.320 4.574 1.00 0.44 C ATOM 1069 O ALA A 72 5.167 0.979 4.223 1.00 0.47 O ATOM 1070 CB ALA A 72 1.904 0.103 4.176 1.00 0.51 C ATOM 0 H ALA A 72 1.614 0.912 6.480 1.00 0.43 H new ATOM 0 HA ALA A 72 3.601 -0.652 5.229 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.278 -0.193 3.196 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.246 -0.675 4.563 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.349 1.037 4.086 1.00 0.51 H new ATOM 1076 N THR A 73 3.601 2.575 4.545 1.00 0.40 N ATOM 1077 CA THR A 73 4.374 3.696 4.024 1.00 0.39 C ATOM 1078 C THR A 73 5.779 3.732 4.619 1.00 0.39 C ATOM 1079 O THR A 73 6.772 3.768 3.884 1.00 0.41 O ATOM 1080 CB THR A 73 3.654 5.019 4.348 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.226 5.017 5.710 1.00 0.36 O ATOM 1082 CG2 THR A 73 2.463 5.239 3.445 1.00 0.46 C ATOM 0 H THR A 73 2.680 2.845 4.889 1.00 0.40 H new ATOM 0 HA THR A 73 4.461 3.568 2.945 1.00 0.39 H new ATOM 0 HB THR A 73 4.361 5.832 4.182 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.366 4.553 5.782 1.00 0.36 H new ATOM 0 HG21 THR A 73 1.980 6.182 3.703 1.00 0.46 H new ATOM 0 HG22 THR A 73 2.795 5.273 2.407 1.00 0.46 H new ATOM 0 HG23 THR A 73 1.754 4.421 3.573 1.00 0.46 H new ATOM 1090 N LYS A 74 5.825 3.707 5.941 1.00 0.47 N ATOM 1091 CA LYS A 74 7.037 3.754 6.740 1.00 0.53 C ATOM 1092 C LYS A 74 8.061 2.696 6.274 1.00 0.48 C ATOM 1093 O LYS A 74 9.261 2.969 6.209 1.00 0.55 O ATOM 1094 CB LYS A 74 6.648 3.526 8.198 1.00 0.65 C ATOM 1095 CG LYS A 74 7.701 3.885 9.223 1.00 1.26 C ATOM 1096 CD LYS A 74 8.011 5.374 9.193 1.00 1.88 C ATOM 1097 CE LYS A 74 8.905 5.784 10.354 1.00 2.66 C ATOM 1098 NZ LYS A 74 8.259 5.518 11.659 1.00 3.54 N ATOM 0 H LYS A 74 4.981 3.651 6.511 1.00 0.47 H new ATOM 0 HA LYS A 74 7.515 4.727 6.624 1.00 0.53 H new ATOM 0 HB2 LYS A 74 5.749 4.105 8.410 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.387 2.475 8.325 1.00 0.65 H new ATOM 0 HG2 LYS A 74 7.356 3.602 10.218 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.611 3.317 9.028 1.00 1.26 H new ATOM 0 HD2 LYS A 74 8.499 5.626 8.251 1.00 1.88 H new ATOM 0 HD3 LYS A 74 7.081 5.941 9.232 1.00 1.88 H new ATOM 0 HE2 LYS A 74 9.848 5.241 10.297 1.00 2.66 H new ATOM 0 HE3 LYS A 74 9.142 6.845 10.274 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 8.713 6.095 12.395 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 7.249 5.761 11.603 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 8.360 4.511 11.897 1.00 3.54 H new ATOM 1112 N TYR A 75 7.574 1.504 5.939 1.00 0.45 N ATOM 1113 CA TYR A 75 8.431 0.445 5.425 1.00 0.44 C ATOM 1114 C TYR A 75 8.795 0.708 3.961 1.00 0.40 C ATOM 1115 O TYR A 75 9.958 0.629 3.580 1.00 0.48 O ATOM 1116 CB TYR A 75 7.767 -0.946 5.568 1.00 0.49 C ATOM 1117 CG TYR A 75 8.503 -2.038 4.804 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.695 -2.564 5.287 1.00 0.68 C ATOM 1119 CD2 TYR A 75 7.976 -2.580 3.641 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.336 -3.593 4.635 1.00 0.77 C ATOM 1121 CE2 TYR A 75 8.619 -3.605 2.977 1.00 0.61 C ATOM 1122 CZ TYR A 75 9.893 -3.944 3.340 1.00 0.69 C ATOM 1123 OH TYR A 75 10.421 -5.151 2.849 1.00 0.83 O ATOM 0 H TYR A 75 6.589 1.249 6.015 1.00 0.45 H new ATOM 0 HA TYR A 75 9.343 0.444 6.022 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.723 -1.215 6.623 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.739 -0.890 5.211 1.00 0.49 H new ATOM 0 HD1 TYR A 75 10.126 -2.158 6.190 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.047 -2.193 3.249 1.00 0.52 H new ATOM 0 HE1 TYR A 75 11.156 -4.118 5.101 1.00 0.77 H new ATOM 0 HE2 TYR A 75 8.121 -4.134 2.178 1.00 0.61 H new ATOM 0 HH TYR A 75 10.893 -5.618 3.569 1.00 0.83 H new ATOM 1133 N ILE A 76 7.788 1.021 3.162 1.00 0.37 N ATOM 1134 CA ILE A 76 7.932 1.283 1.722 1.00 0.43 C ATOM 1135 C ILE A 76 9.041 2.294 1.450 1.00 0.52 C ATOM 1136 O ILE A 76 9.997 1.997 0.744 1.00 0.65 O ATOM 1137 CB ILE A 76 6.589 1.802 1.149 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.540 0.703 1.220 1.00 0.48 C ATOM 1139 CG2 ILE A 76 6.743 2.302 -0.284 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.167 1.167 0.846 1.00 0.55 C ATOM 0 H ILE A 76 6.827 1.104 3.493 1.00 0.37 H new ATOM 0 HA ILE A 76 8.203 0.348 1.231 1.00 0.43 H new ATOM 0 HB ILE A 76 6.267 2.648 1.755 1.00 0.45 H new ATOM 0 HG12 ILE A 76 5.833 -0.112 0.558 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.516 0.299 2.232 1.00 0.48 H new ATOM 0 HG21 ILE A 76 5.780 2.658 -0.651 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.465 3.118 -0.309 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.094 1.488 -0.918 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.469 0.333 0.918 1.00 0.55 H new ATOM 0 HD12 ILE A 76 3.854 1.962 1.523 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.176 1.545 -0.176 1.00 0.55 H new ATOM 1152 N LEU A 77 8.921 3.465 2.035 1.00 0.52 N ATOM 1153 CA LEU A 77 9.886 4.542 1.830 1.00 0.71 C ATOM 1154 C LEU A 77 11.261 4.208 2.359 1.00 0.78 C ATOM 1155 O LEU A 77 12.253 4.784 1.935 1.00 0.96 O ATOM 1156 CB LEU A 77 9.355 5.874 2.358 1.00 0.86 C ATOM 1157 CG LEU A 77 8.950 5.939 3.827 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.131 6.191 4.760 1.00 1.74 C ATOM 1159 CD2 LEU A 77 7.881 6.963 3.994 1.00 0.99 C ATOM 0 H LEU A 77 8.157 3.705 2.666 1.00 0.52 H new ATOM 0 HA LEU A 77 10.012 4.654 0.753 1.00 0.71 H new ATOM 0 HB2 LEU A 77 10.119 6.632 2.186 1.00 0.86 H new ATOM 0 HB3 LEU A 77 8.489 6.152 1.758 1.00 0.86 H new ATOM 0 HG LEU A 77 8.562 4.962 4.116 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.779 6.227 5.791 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.858 5.386 4.652 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.601 7.141 4.504 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.587 7.014 5.042 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.255 7.935 3.674 1.00 0.99 H new ATOM 0 HD23 LEU A 77 7.017 6.690 3.388 1.00 0.99 H new ATOM 1171 N ASP A 78 11.319 3.283 3.270 1.00 0.71 N ATOM 1172 CA ASP A 78 12.589 2.918 3.870 1.00 0.84 C ATOM 1173 C ASP A 78 13.291 1.827 3.063 1.00 0.94 C ATOM 1174 O ASP A 78 14.516 1.767 3.011 1.00 1.09 O ATOM 1175 CB ASP A 78 12.399 2.476 5.315 1.00 0.91 C ATOM 1176 CG ASP A 78 13.709 2.231 6.018 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.413 3.197 6.354 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.074 1.058 6.216 1.00 1.26 O ATOM 0 H ASP A 78 10.513 2.764 3.619 1.00 0.71 H new ATOM 0 HA ASP A 78 13.225 3.803 3.862 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.837 3.239 5.854 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.802 1.565 5.338 1.00 0.91 H new