USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 897 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 62 SER OG : rot -150:sc= -0.0788 USER MOD Set 1.2: A 90 ASN : amide:sc= 0.243 K(o=0.16,f=-2.4!) USER MOD Single : A 1 SER N :NH3+ -179:sc= 0 (180deg=-0.000426) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.414 X(o=0.41,f=-0.0048) USER MOD Single : A 13 THR OG1 : rot 180:sc=0.000477 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.038) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -178:sc= 0 (180deg=-0.0042) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -169:sc= 1.2 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.32 (180deg=1.27) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 130:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -68:sc= 1.2 USER MOD Single : A 91 GLN : amide:sc= -0.0665 X(o=-0.067,f=-0.067) USER MOD Single : A 92 ASN : amide:sc=-0.00485 X(o=-0.0048,f=-0.0048) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 98 CYS SG : rot -25:sc= -0.213 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0799 K(o=-0.08,f=-4.1!) USER MOD Single : A 106 THR OG1 : rot 40:sc= 0.326 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= 0.134 X(o=0.13,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.668 -5.973 13.681 1.00 2.28 N ATOM 2 CA SER A 1 16.461 -4.914 14.692 1.00 2.24 C ATOM 3 C SER A 1 16.549 -3.494 14.108 1.00 2.07 C ATOM 4 O SER A 1 15.915 -2.576 14.625 1.00 2.19 O ATOM 5 CB SER A 1 17.404 -5.075 15.893 1.00 2.73 C ATOM 6 OG SER A 1 18.765 -4.883 15.546 1.00 2.60 O ATOM 0 H1 SER A 1 16.580 -6.906 14.132 1.00 2.28 H new ATOM 0 H2 SER A 1 15.953 -5.882 12.932 1.00 2.28 H new ATOM 0 H3 SER A 1 17.617 -5.877 13.267 1.00 2.28 H new ATOM 0 HA SER A 1 15.438 -5.043 15.047 1.00 2.24 H new ATOM 0 HB2 SER A 1 17.126 -4.360 16.667 1.00 2.73 H new ATOM 0 HB3 SER A 1 17.278 -6.071 16.318 1.00 2.73 H new ATOM 0 HG SER A 1 19.325 -4.994 16.343 1.00 2.60 H new ATOM 12 N GLU A 2 17.266 -3.307 12.993 1.00 2.05 N ATOM 13 CA GLU A 2 17.256 -2.054 12.215 1.00 1.99 C ATOM 14 C GLU A 2 16.046 -2.014 11.260 1.00 1.72 C ATOM 15 O GLU A 2 15.361 -0.994 11.144 1.00 1.86 O ATOM 16 CB GLU A 2 18.589 -1.900 11.452 1.00 2.19 C ATOM 17 CG GLU A 2 19.784 -1.704 12.399 1.00 3.12 C ATOM 18 CD GLU A 2 21.128 -1.579 11.666 1.00 3.52 C ATOM 19 OE1 GLU A 2 21.293 -0.704 10.782 1.00 3.58 O ATOM 20 OE2 GLU A 2 22.087 -2.299 12.038 1.00 4.70 O ATOM 0 H GLU A 2 17.875 -4.024 12.599 1.00 2.05 H new ATOM 0 HA GLU A 2 17.156 -1.210 12.898 1.00 1.99 H new ATOM 0 HB2 GLU A 2 18.757 -2.784 10.837 1.00 2.19 H new ATOM 0 HB3 GLU A 2 18.521 -1.048 10.775 1.00 2.19 H new ATOM 0 HG2 GLU A 2 19.620 -0.808 12.998 1.00 3.12 H new ATOM 0 HG3 GLU A 2 19.832 -2.545 13.090 1.00 3.12 H new ATOM 27 N ALA A 3 15.709 -3.162 10.657 1.00 1.53 N ATOM 28 CA ALA A 3 14.527 -3.307 9.804 1.00 1.38 C ATOM 29 C ALA A 3 13.230 -2.959 10.565 1.00 1.24 C ATOM 30 O ALA A 3 12.389 -2.231 10.043 1.00 1.17 O ATOM 31 CB ALA A 3 14.485 -4.724 9.220 1.00 1.60 C ATOM 0 H ALA A 3 16.253 -4.020 10.749 1.00 1.53 H new ATOM 0 HA ALA A 3 14.599 -2.596 8.981 1.00 1.38 H new ATOM 0 HB1 ALA A 3 13.605 -4.830 8.586 1.00 1.60 H new ATOM 0 HB2 ALA A 3 15.383 -4.900 8.628 1.00 1.60 H new ATOM 0 HB3 ALA A 3 14.437 -5.451 10.031 1.00 1.60 H new ATOM 37 N LEU A 4 13.103 -3.407 11.819 1.00 1.46 N ATOM 38 CA LEU A 4 11.978 -3.124 12.721 1.00 1.46 C ATOM 39 C LEU A 4 11.633 -1.623 12.858 1.00 1.45 C ATOM 40 O LEU A 4 10.459 -1.285 13.017 1.00 1.53 O ATOM 41 CB LEU A 4 12.333 -3.767 14.079 1.00 1.78 C ATOM 42 CG LEU A 4 11.304 -3.625 15.210 1.00 1.77 C ATOM 43 CD1 LEU A 4 9.973 -4.238 14.814 1.00 1.87 C ATOM 44 CD2 LEU A 4 11.784 -4.368 16.452 1.00 2.58 C ATOM 0 H LEU A 4 13.810 -4.001 12.252 1.00 1.46 H new ATOM 0 HA LEU A 4 11.066 -3.551 12.303 1.00 1.46 H new ATOM 0 HB2 LEU A 4 12.510 -4.830 13.914 1.00 1.78 H new ATOM 0 HB3 LEU A 4 13.274 -3.336 14.422 1.00 1.78 H new ATOM 0 HG LEU A 4 11.187 -2.560 15.408 1.00 1.77 H new ATOM 0 HD11 LEU A 4 9.262 -4.124 15.632 1.00 1.87 H new ATOM 0 HD12 LEU A 4 9.589 -3.733 13.927 1.00 1.87 H new ATOM 0 HD13 LEU A 4 10.110 -5.297 14.598 1.00 1.87 H new ATOM 0 HD21 LEU A 4 11.047 -4.261 17.248 1.00 2.58 H new ATOM 0 HD22 LEU A 4 11.913 -5.424 16.217 1.00 2.58 H new ATOM 0 HD23 LEU A 4 12.736 -3.951 16.781 1.00 2.58 H new ATOM 56 N ALA A 5 12.625 -0.726 12.808 1.00 1.57 N ATOM 57 CA ALA A 5 12.397 0.720 12.688 1.00 1.72 C ATOM 58 C ALA A 5 12.073 1.171 11.251 1.00 1.52 C ATOM 59 O ALA A 5 11.146 1.959 11.035 1.00 1.66 O ATOM 60 CB ALA A 5 13.618 1.451 13.258 1.00 2.14 C ATOM 0 H ALA A 5 13.611 -0.983 12.850 1.00 1.57 H new ATOM 0 HA ALA A 5 11.508 0.978 13.263 1.00 1.72 H new ATOM 0 HB1 ALA A 5 13.468 2.528 13.178 1.00 2.14 H new ATOM 0 HB2 ALA A 5 13.748 1.180 14.306 1.00 2.14 H new ATOM 0 HB3 ALA A 5 14.508 1.166 12.696 1.00 2.14 H new ATOM 66 N LYS A 6 12.827 0.671 10.259 1.00 1.32 N ATOM 67 CA LYS A 6 12.703 1.050 8.845 1.00 1.40 C ATOM 68 C LYS A 6 11.331 0.727 8.250 1.00 1.13 C ATOM 69 O LYS A 6 10.831 1.521 7.456 1.00 1.26 O ATOM 70 CB LYS A 6 13.848 0.377 8.074 1.00 1.55 C ATOM 71 CG LYS A 6 13.873 0.774 6.592 1.00 1.72 C ATOM 72 CD LYS A 6 15.225 0.511 5.922 1.00 2.15 C ATOM 73 CE LYS A 6 15.694 -0.939 6.059 1.00 3.00 C ATOM 74 NZ LYS A 6 16.888 -1.185 5.224 1.00 3.10 N ATOM 0 H LYS A 6 13.556 -0.024 10.423 1.00 1.32 H new ATOM 0 HA LYS A 6 12.783 2.134 8.760 1.00 1.40 H new ATOM 0 HB2 LYS A 6 14.799 0.646 8.535 1.00 1.55 H new ATOM 0 HB3 LYS A 6 13.749 -0.705 8.155 1.00 1.55 H new ATOM 0 HG2 LYS A 6 13.098 0.222 6.061 1.00 1.72 H new ATOM 0 HG3 LYS A 6 13.629 1.833 6.501 1.00 1.72 H new ATOM 0 HD2 LYS A 6 15.154 0.765 4.864 1.00 2.15 H new ATOM 0 HD3 LYS A 6 15.974 1.171 6.359 1.00 2.15 H new ATOM 0 HE2 LYS A 6 15.924 -1.155 7.102 1.00 3.00 H new ATOM 0 HE3 LYS A 6 14.892 -1.615 5.763 1.00 3.00 H new ATOM 0 HZ1 LYS A 6 17.189 -2.175 5.332 1.00 3.10 H new ATOM 0 HZ2 LYS A 6 16.658 -1.000 4.227 1.00 3.10 H new ATOM 0 HZ3 LYS A 6 17.658 -0.554 5.525 1.00 3.10 H new ATOM 88 N LEU A 7 10.698 -0.372 8.678 1.00 0.83 N ATOM 89 CA LEU A 7 9.350 -0.797 8.267 1.00 0.75 C ATOM 90 C LEU A 7 8.359 0.378 8.229 1.00 0.80 C ATOM 91 O LEU A 7 7.681 0.580 7.227 1.00 0.97 O ATOM 92 CB LEU A 7 8.834 -1.902 9.232 1.00 0.72 C ATOM 93 CG LEU A 7 8.787 -3.342 8.681 1.00 0.70 C ATOM 94 CD1 LEU A 7 7.766 -3.477 7.553 1.00 0.89 C ATOM 95 CD2 LEU A 7 10.135 -3.859 8.184 1.00 0.76 C ATOM 0 H LEU A 7 11.125 -1.015 9.345 1.00 0.83 H new ATOM 0 HA LEU A 7 9.420 -1.193 7.254 1.00 0.75 H new ATOM 0 HB2 LEU A 7 9.466 -1.899 10.120 1.00 0.72 H new ATOM 0 HB3 LEU A 7 7.829 -1.629 9.554 1.00 0.72 H new ATOM 0 HG LEU A 7 8.492 -3.953 9.534 1.00 0.70 H new ATOM 0 HD11 LEU A 7 7.760 -4.504 7.189 1.00 0.89 H new ATOM 0 HD12 LEU A 7 6.775 -3.218 7.926 1.00 0.89 H new ATOM 0 HD13 LEU A 7 8.033 -2.805 6.738 1.00 0.89 H new ATOM 0 HD21 LEU A 7 10.020 -4.877 7.812 1.00 0.76 H new ATOM 0 HD22 LEU A 7 10.496 -3.218 7.380 1.00 0.76 H new ATOM 0 HD23 LEU A 7 10.853 -3.851 9.004 1.00 0.76 H new ATOM 107 N ILE A 8 8.305 1.169 9.302 1.00 0.97 N ATOM 108 CA ILE A 8 7.409 2.327 9.426 1.00 1.23 C ATOM 109 C ILE A 8 7.847 3.544 8.593 1.00 1.19 C ATOM 110 O ILE A 8 6.997 4.295 8.105 1.00 1.21 O ATOM 111 CB ILE A 8 7.207 2.645 10.921 1.00 1.75 C ATOM 112 CG1 ILE A 8 6.533 1.467 11.663 1.00 2.02 C ATOM 113 CG2 ILE A 8 6.388 3.925 11.130 1.00 2.08 C ATOM 114 CD1 ILE A 8 5.186 1.013 11.086 1.00 2.22 C ATOM 0 H ILE A 8 8.891 1.023 10.124 1.00 0.97 H new ATOM 0 HA ILE A 8 6.445 2.063 8.992 1.00 1.23 H new ATOM 0 HB ILE A 8 8.201 2.803 11.340 1.00 1.75 H new ATOM 0 HG12 ILE A 8 7.216 0.618 11.658 1.00 2.02 H new ATOM 0 HG13 ILE A 8 6.386 1.752 12.705 1.00 2.02 H new ATOM 0 HG21 ILE A 8 6.270 4.111 12.197 1.00 2.08 H new ATOM 0 HG22 ILE A 8 6.905 4.767 10.670 1.00 2.08 H new ATOM 0 HG23 ILE A 8 5.406 3.808 10.671 1.00 2.08 H new ATOM 0 HD11 ILE A 8 4.798 0.184 11.677 1.00 2.22 H new ATOM 0 HD12 ILE A 8 4.479 1.842 11.116 1.00 2.22 H new ATOM 0 HD13 ILE A 8 5.323 0.690 10.054 1.00 2.22 H new ATOM 126 N SER A 9 9.152 3.728 8.372 1.00 1.26 N ATOM 127 CA SER A 9 9.687 4.840 7.572 1.00 1.48 C ATOM 128 C SER A 9 9.310 4.723 6.087 1.00 1.40 C ATOM 129 O SER A 9 9.151 5.746 5.415 1.00 1.64 O ATOM 130 CB SER A 9 11.211 4.923 7.725 1.00 1.74 C ATOM 131 OG SER A 9 11.558 5.290 9.049 1.00 1.99 O ATOM 0 H SER A 9 9.872 3.109 8.743 1.00 1.26 H new ATOM 0 HA SER A 9 9.235 5.756 7.952 1.00 1.48 H new ATOM 0 HB2 SER A 9 11.660 3.961 7.479 1.00 1.74 H new ATOM 0 HB3 SER A 9 11.614 5.652 7.022 1.00 1.74 H new ATOM 0 HG SER A 9 12.533 5.337 9.130 1.00 1.99 H new ATOM 137 N LEU A 10 9.095 3.498 5.583 1.00 1.20 N ATOM 138 CA LEU A 10 8.677 3.212 4.201 1.00 1.32 C ATOM 139 C LEU A 10 7.276 3.738 3.821 1.00 1.28 C ATOM 140 O LEU A 10 6.958 3.775 2.633 1.00 1.41 O ATOM 141 CB LEU A 10 8.727 1.690 3.944 1.00 1.33 C ATOM 142 CG LEU A 10 10.026 1.171 3.309 1.00 1.58 C ATOM 143 CD1 LEU A 10 11.177 1.141 4.304 1.00 2.60 C ATOM 144 CD2 LEU A 10 9.808 -0.264 2.829 1.00 1.40 C ATOM 0 H LEU A 10 9.211 2.653 6.143 1.00 1.20 H new ATOM 0 HA LEU A 10 9.384 3.751 3.571 1.00 1.32 H new ATOM 0 HB2 LEU A 10 8.574 1.174 4.892 1.00 1.33 H new ATOM 0 HB3 LEU A 10 7.893 1.421 3.296 1.00 1.33 H new ATOM 0 HG LEU A 10 10.278 1.845 2.490 1.00 1.58 H new ATOM 0 HD11 LEU A 10 12.074 0.767 3.811 1.00 2.60 H new ATOM 0 HD12 LEU A 10 11.361 2.148 4.678 1.00 2.60 H new ATOM 0 HD13 LEU A 10 10.921 0.486 5.137 1.00 2.60 H new ATOM 0 HD21 LEU A 10 10.726 -0.640 2.377 1.00 1.40 H new ATOM 0 HD22 LEU A 10 9.537 -0.894 3.676 1.00 1.40 H new ATOM 0 HD23 LEU A 10 9.006 -0.283 2.091 1.00 1.40 H new ATOM 156 N GLN A 11 6.420 4.135 4.767 1.00 1.22 N ATOM 157 CA GLN A 11 5.079 4.631 4.421 1.00 1.28 C ATOM 158 C GLN A 11 5.136 5.924 3.582 1.00 1.27 C ATOM 159 O GLN A 11 5.790 6.901 3.962 1.00 1.37 O ATOM 160 CB GLN A 11 4.200 4.813 5.671 1.00 1.46 C ATOM 161 CG GLN A 11 3.834 3.485 6.324 1.00 1.47 C ATOM 162 CD GLN A 11 2.912 3.721 7.510 1.00 1.79 C ATOM 163 OE1 GLN A 11 3.340 3.962 8.632 1.00 2.14 O ATOM 164 NE2 GLN A 11 1.616 3.722 7.308 1.00 3.09 N ATOM 0 H GLN A 11 6.625 4.124 5.766 1.00 1.22 H new ATOM 0 HA GLN A 11 4.613 3.866 3.799 1.00 1.28 H new ATOM 0 HB2 GLN A 11 4.726 5.437 6.394 1.00 1.46 H new ATOM 0 HB3 GLN A 11 3.288 5.343 5.396 1.00 1.46 H new ATOM 0 HG2 GLN A 11 3.345 2.836 5.597 1.00 1.47 H new ATOM 0 HG3 GLN A 11 4.738 2.971 6.653 1.00 1.47 H new ATOM 0 HE21 GLN A 11 1.244 3.523 6.379 1.00 3.09 H new ATOM 0 HE22 GLN A 11 0.980 3.922 8.080 1.00 3.09 H new ATOM 173 N ALA A 12 4.416 5.941 2.456 1.00 1.38 N ATOM 174 CA ALA A 12 4.221 7.117 1.599 1.00 1.39 C ATOM 175 C ALA A 12 3.353 8.203 2.285 1.00 1.39 C ATOM 176 O ALA A 12 2.627 7.907 3.239 1.00 1.87 O ATOM 177 CB ALA A 12 3.646 6.624 0.265 1.00 1.63 C ATOM 0 H ALA A 12 3.938 5.112 2.104 1.00 1.38 H new ATOM 0 HA ALA A 12 5.172 7.617 1.413 1.00 1.39 H new ATOM 0 HB1 ALA A 12 3.488 7.474 -0.399 1.00 1.63 H new ATOM 0 HB2 ALA A 12 4.345 5.927 -0.197 1.00 1.63 H new ATOM 0 HB3 ALA A 12 2.696 6.120 0.442 1.00 1.63 H new ATOM 183 N THR A 13 3.443 9.462 1.844 1.00 1.62 N ATOM 184 CA THR A 13 2.868 10.638 2.545 1.00 1.60 C ATOM 185 C THR A 13 1.514 11.132 2.030 1.00 1.41 C ATOM 186 O THR A 13 0.760 11.737 2.791 1.00 1.34 O ATOM 187 CB THR A 13 3.867 11.809 2.544 1.00 1.82 C ATOM 188 OG1 THR A 13 4.500 11.969 1.291 1.00 3.15 O ATOM 189 CG2 THR A 13 4.989 11.557 3.545 1.00 2.13 C ATOM 0 H THR A 13 3.923 9.707 0.978 1.00 1.62 H new ATOM 0 HA THR A 13 2.679 10.274 3.555 1.00 1.60 H new ATOM 0 HB THR A 13 3.284 12.695 2.794 1.00 1.82 H new ATOM 0 HG1 THR A 13 5.124 12.723 1.334 1.00 3.15 H new ATOM 0 HG21 THR A 13 5.685 12.396 3.530 1.00 2.13 H new ATOM 0 HG22 THR A 13 4.568 11.453 4.545 1.00 2.13 H new ATOM 0 HG23 THR A 13 5.517 10.642 3.277 1.00 2.13 H new ATOM 197 N GLU A 14 1.176 10.863 0.769 1.00 1.36 N ATOM 198 CA GLU A 14 -0.091 11.294 0.144 1.00 1.23 C ATOM 199 C GLU A 14 -0.835 10.167 -0.600 1.00 1.09 C ATOM 200 O GLU A 14 -0.241 9.144 -0.950 1.00 1.09 O ATOM 201 CB GLU A 14 0.135 12.550 -0.724 1.00 1.42 C ATOM 202 CG GLU A 14 1.032 12.322 -1.947 1.00 1.62 C ATOM 203 CD GLU A 14 1.284 13.617 -2.731 1.00 2.78 C ATOM 204 OE1 GLU A 14 1.867 14.575 -2.163 1.00 3.14 O ATOM 205 OE2 GLU A 14 0.957 13.657 -3.942 1.00 4.21 O ATOM 0 H GLU A 14 1.777 10.333 0.138 1.00 1.36 H new ATOM 0 HA GLU A 14 -0.769 11.566 0.953 1.00 1.23 H new ATOM 0 HB2 GLU A 14 -0.832 12.922 -1.062 1.00 1.42 H new ATOM 0 HB3 GLU A 14 0.577 13.330 -0.104 1.00 1.42 H new ATOM 0 HG2 GLU A 14 1.985 11.904 -1.623 1.00 1.62 H new ATOM 0 HG3 GLU A 14 0.568 11.586 -2.604 1.00 1.62 H new ATOM 212 N ALA A 15 -2.142 10.339 -0.823 1.00 0.99 N ATOM 213 CA ALA A 15 -3.027 9.381 -1.495 1.00 0.90 C ATOM 214 C ALA A 15 -4.060 10.092 -2.400 1.00 0.93 C ATOM 215 O ALA A 15 -4.486 11.200 -2.085 1.00 1.07 O ATOM 216 CB ALA A 15 -3.721 8.539 -0.414 1.00 0.76 C ATOM 0 H ALA A 15 -2.632 11.184 -0.528 1.00 0.99 H new ATOM 0 HA ALA A 15 -2.439 8.739 -2.151 1.00 0.90 H new ATOM 0 HB1 ALA A 15 -4.387 7.817 -0.887 1.00 0.76 H new ATOM 0 HB2 ALA A 15 -2.970 8.010 0.173 1.00 0.76 H new ATOM 0 HB3 ALA A 15 -4.300 9.192 0.240 1.00 0.76 H new ATOM 222 N THR A 16 -4.490 9.455 -3.496 1.00 0.88 N ATOM 223 CA THR A 16 -5.538 9.994 -4.399 1.00 0.90 C ATOM 224 C THR A 16 -6.935 9.462 -4.065 1.00 0.76 C ATOM 225 O THR A 16 -7.227 8.307 -4.366 1.00 0.91 O ATOM 226 CB THR A 16 -5.248 9.699 -5.880 1.00 1.28 C ATOM 227 OG1 THR A 16 -3.963 10.143 -6.240 1.00 1.57 O ATOM 228 CG2 THR A 16 -6.219 10.422 -6.815 1.00 1.34 C ATOM 0 H THR A 16 -4.126 8.549 -3.790 1.00 0.88 H new ATOM 0 HA THR A 16 -5.517 11.071 -4.236 1.00 0.90 H new ATOM 0 HB THR A 16 -5.348 8.619 -5.986 1.00 1.28 H new ATOM 0 HG1 THR A 16 -3.801 9.943 -7.186 1.00 1.57 H new ATOM 0 HG21 THR A 16 -5.974 10.183 -7.850 1.00 1.34 H new ATOM 0 HG22 THR A 16 -7.238 10.101 -6.600 1.00 1.34 H new ATOM 0 HG23 THR A 16 -6.138 11.498 -6.663 1.00 1.34 H new ATOM 236 N ILE A 17 -7.823 10.300 -3.523 1.00 0.65 N ATOM 237 CA ILE A 17 -9.256 10.008 -3.357 1.00 0.78 C ATOM 238 C ILE A 17 -9.966 10.267 -4.691 1.00 0.74 C ATOM 239 O ILE A 17 -9.669 11.257 -5.357 1.00 0.69 O ATOM 240 CB ILE A 17 -9.874 10.872 -2.225 1.00 0.93 C ATOM 241 CG1 ILE A 17 -9.140 10.604 -0.890 1.00 0.90 C ATOM 242 CG2 ILE A 17 -11.389 10.605 -2.085 1.00 1.33 C ATOM 243 CD1 ILE A 17 -9.712 11.314 0.343 1.00 1.01 C ATOM 0 H ILE A 17 -7.562 11.224 -3.178 1.00 0.65 H new ATOM 0 HA ILE A 17 -9.383 8.964 -3.070 1.00 0.78 H new ATOM 0 HB ILE A 17 -9.748 11.923 -2.486 1.00 0.93 H new ATOM 0 HG12 ILE A 17 -9.147 9.530 -0.703 1.00 0.90 H new ATOM 0 HG13 ILE A 17 -8.097 10.901 -1.005 1.00 0.90 H new ATOM 0 HG21 ILE A 17 -11.795 11.224 -1.285 1.00 1.33 H new ATOM 0 HG22 ILE A 17 -11.890 10.849 -3.022 1.00 1.33 H new ATOM 0 HG23 ILE A 17 -11.553 9.553 -1.849 1.00 1.33 H new ATOM 0 HD11 ILE A 17 -9.120 11.054 1.220 1.00 1.01 H new ATOM 0 HD12 ILE A 17 -9.679 12.393 0.190 1.00 1.01 H new ATOM 0 HD13 ILE A 17 -10.745 11.001 0.497 1.00 1.01 H new ATOM 255 N VAL A 18 -10.925 9.415 -5.070 1.00 0.89 N ATOM 256 CA VAL A 18 -11.780 9.654 -6.250 1.00 0.94 C ATOM 257 C VAL A 18 -13.272 9.619 -5.900 1.00 1.09 C ATOM 258 O VAL A 18 -13.784 8.667 -5.298 1.00 1.24 O ATOM 259 CB VAL A 18 -11.388 8.758 -7.441 1.00 1.01 C ATOM 260 CG1 VAL A 18 -12.157 9.109 -8.721 1.00 2.05 C ATOM 261 CG2 VAL A 18 -9.885 8.869 -7.725 1.00 1.72 C ATOM 0 H VAL A 18 -11.133 8.547 -4.576 1.00 0.89 H new ATOM 0 HA VAL A 18 -11.594 10.673 -6.589 1.00 0.94 H new ATOM 0 HB VAL A 18 -11.647 7.738 -7.156 1.00 1.01 H new ATOM 0 HG11 VAL A 18 -11.842 8.447 -9.528 1.00 2.05 H new ATOM 0 HG12 VAL A 18 -13.226 8.987 -8.548 1.00 2.05 H new ATOM 0 HG13 VAL A 18 -11.950 10.143 -8.998 1.00 2.05 H new ATOM 0 HG21 VAL A 18 -9.626 8.230 -8.569 1.00 1.72 H new ATOM 0 HG22 VAL A 18 -9.635 9.903 -7.963 1.00 1.72 H new ATOM 0 HG23 VAL A 18 -9.324 8.553 -6.845 1.00 1.72 H new ATOM 271 N THR A 19 -13.961 10.690 -6.291 1.00 1.15 N ATOM 272 CA THR A 19 -15.340 11.048 -5.937 1.00 1.41 C ATOM 273 C THR A 19 -16.196 11.146 -7.202 1.00 1.39 C ATOM 274 O THR A 19 -15.791 11.769 -8.186 1.00 1.30 O ATOM 275 CB THR A 19 -15.353 12.398 -5.186 1.00 1.64 C ATOM 276 OG1 THR A 19 -14.583 12.327 -4.002 1.00 1.76 O ATOM 277 CG2 THR A 19 -16.754 12.821 -4.751 1.00 2.13 C ATOM 0 H THR A 19 -13.541 11.384 -6.910 1.00 1.15 H new ATOM 0 HA THR A 19 -15.754 10.275 -5.289 1.00 1.41 H new ATOM 0 HB THR A 19 -14.946 13.119 -5.895 1.00 1.64 H new ATOM 0 HG1 THR A 19 -14.605 13.194 -3.545 1.00 1.76 H new ATOM 0 HG21 THR A 19 -16.700 13.776 -4.229 1.00 2.13 H new ATOM 0 HG22 THR A 19 -17.392 12.923 -5.629 1.00 2.13 H new ATOM 0 HG23 THR A 19 -17.171 12.066 -4.085 1.00 2.13 H new ATOM 285 N LEU A 20 -17.395 10.555 -7.173 1.00 1.59 N ATOM 286 CA LEU A 20 -18.406 10.653 -8.225 1.00 1.74 C ATOM 287 C LEU A 20 -19.491 11.665 -7.817 1.00 1.98 C ATOM 288 O LEU A 20 -19.796 11.789 -6.626 1.00 2.29 O ATOM 289 CB LEU A 20 -18.952 9.251 -8.550 1.00 1.96 C ATOM 290 CG LEU A 20 -17.836 8.209 -8.794 1.00 1.99 C ATOM 291 CD1 LEU A 20 -17.479 7.404 -7.536 1.00 2.99 C ATOM 292 CD2 LEU A 20 -18.292 7.200 -9.832 1.00 2.54 C ATOM 0 H LEU A 20 -17.696 9.976 -6.389 1.00 1.59 H new ATOM 0 HA LEU A 20 -17.967 11.035 -9.147 1.00 1.74 H new ATOM 0 HB2 LEU A 20 -19.583 8.913 -7.728 1.00 1.96 H new ATOM 0 HB3 LEU A 20 -19.586 9.310 -9.435 1.00 1.96 H new ATOM 0 HG LEU A 20 -16.964 8.778 -9.118 1.00 1.99 H new ATOM 0 HD11 LEU A 20 -16.690 6.690 -7.773 1.00 2.99 H new ATOM 0 HD12 LEU A 20 -17.133 8.082 -6.756 1.00 2.99 H new ATOM 0 HD13 LEU A 20 -18.361 6.868 -7.185 1.00 2.99 H new ATOM 0 HD21 LEU A 20 -17.502 6.468 -10.000 1.00 2.54 H new ATOM 0 HD22 LEU A 20 -19.188 6.691 -9.476 1.00 2.54 H new ATOM 0 HD23 LEU A 20 -18.514 7.715 -10.767 1.00 2.54 H new ATOM 304 N ASP A 21 -20.061 12.407 -8.775 1.00 2.28 N ATOM 305 CA ASP A 21 -20.899 13.591 -8.477 1.00 2.55 C ATOM 306 C ASP A 21 -22.109 13.836 -9.408 1.00 2.73 C ATOM 307 O ASP A 21 -22.797 14.851 -9.267 1.00 3.06 O ATOM 308 CB ASP A 21 -19.978 14.833 -8.477 1.00 2.57 C ATOM 309 CG ASP A 21 -20.116 15.738 -7.255 1.00 3.00 C ATOM 310 OD1 ASP A 21 -20.758 15.371 -6.241 1.00 3.53 O ATOM 311 OD2 ASP A 21 -19.545 16.854 -7.306 1.00 3.48 O ATOM 0 H ASP A 21 -19.960 12.212 -9.771 1.00 2.28 H new ATOM 0 HA ASP A 21 -21.357 13.395 -7.507 1.00 2.55 H new ATOM 0 HB2 ASP A 21 -18.943 14.499 -8.548 1.00 2.57 H new ATOM 0 HB3 ASP A 21 -20.186 15.421 -9.371 1.00 2.57 H new ATOM 316 N SER A 22 -22.376 12.918 -10.341 1.00 2.69 N ATOM 317 CA SER A 22 -23.525 12.960 -11.272 1.00 2.90 C ATOM 318 C SER A 22 -24.216 11.604 -11.325 1.00 3.26 C ATOM 319 O SER A 22 -25.384 11.454 -10.965 1.00 4.55 O ATOM 320 CB SER A 22 -23.090 13.401 -12.678 1.00 2.80 C ATOM 321 OG SER A 22 -22.850 14.794 -12.672 1.00 2.84 O ATOM 0 H SER A 22 -21.786 12.098 -10.480 1.00 2.69 H new ATOM 0 HA SER A 22 -24.234 13.699 -10.897 1.00 2.90 H new ATOM 0 HB2 SER A 22 -22.189 12.866 -12.978 1.00 2.80 H new ATOM 0 HB3 SER A 22 -23.864 13.156 -13.405 1.00 2.80 H new ATOM 0 HG SER A 22 -22.570 15.082 -13.566 1.00 2.84 H new ATOM 327 N ASP A 23 -23.431 10.617 -11.736 1.00 2.79 N ATOM 328 CA ASP A 23 -23.673 9.181 -11.694 1.00 2.99 C ATOM 329 C ASP A 23 -22.288 8.507 -11.774 1.00 2.97 C ATOM 330 O ASP A 23 -21.265 9.202 -11.791 1.00 3.80 O ATOM 331 CB ASP A 23 -24.571 8.769 -12.878 1.00 3.35 C ATOM 332 CG ASP A 23 -25.526 7.640 -12.498 1.00 3.80 C ATOM 333 OD1 ASP A 23 -25.065 6.541 -12.106 1.00 4.12 O ATOM 334 OD2 ASP A 23 -26.752 7.893 -12.549 1.00 4.41 O ATOM 0 H ASP A 23 -22.520 10.822 -12.147 1.00 2.79 H new ATOM 0 HA ASP A 23 -24.190 8.879 -10.783 1.00 2.99 H new ATOM 0 HB2 ASP A 23 -25.144 9.632 -13.217 1.00 3.35 H new ATOM 0 HB3 ASP A 23 -23.948 8.452 -13.714 1.00 3.35 H new ATOM 339 N ASN A 24 -22.238 7.188 -11.968 1.00 3.11 N ATOM 340 CA ASN A 24 -21.007 6.458 -12.306 1.00 3.16 C ATOM 341 C ASN A 24 -20.287 7.003 -13.574 1.00 3.17 C ATOM 342 O ASN A 24 -19.118 6.702 -13.819 1.00 3.23 O ATOM 343 CB ASN A 24 -21.403 4.978 -12.418 1.00 3.58 C ATOM 344 CG ASN A 24 -20.337 4.100 -12.998 1.00 3.64 C ATOM 345 OD1 ASN A 24 -20.305 3.826 -14.189 1.00 4.30 O ATOM 346 ND2 ASN A 24 -19.445 3.595 -12.207 1.00 4.06 N ATOM 0 H ASN A 24 -23.058 6.586 -11.895 1.00 3.11 H new ATOM 0 HA ASN A 24 -20.258 6.597 -11.527 1.00 3.16 H new ATOM 0 HB2 ASN A 24 -21.664 4.607 -11.427 1.00 3.58 H new ATOM 0 HB3 ASN A 24 -22.299 4.899 -13.034 1.00 3.58 H new ATOM 0 HD21 ASN A 24 -18.725 2.976 -12.579 1.00 4.06 H new ATOM 0 HD22 ASN A 24 -19.462 3.817 -11.212 1.00 4.06 H new ATOM 353 N ILE A 25 -20.972 7.838 -14.360 1.00 3.26 N ATOM 354 CA ILE A 25 -20.474 8.552 -15.544 1.00 3.34 C ATOM 355 C ILE A 25 -19.438 9.650 -15.237 1.00 3.11 C ATOM 356 O ILE A 25 -18.682 10.021 -16.140 1.00 3.26 O ATOM 357 CB ILE A 25 -21.668 9.158 -16.325 1.00 3.48 C ATOM 358 CG1 ILE A 25 -22.310 10.350 -15.569 1.00 3.15 C ATOM 359 CG2 ILE A 25 -22.685 8.050 -16.657 1.00 3.83 C ATOM 360 CD1 ILE A 25 -23.610 10.884 -16.178 1.00 3.44 C ATOM 0 H ILE A 25 -21.953 8.048 -14.176 1.00 3.26 H new ATOM 0 HA ILE A 25 -19.950 7.810 -16.146 1.00 3.34 H new ATOM 0 HB ILE A 25 -21.300 9.571 -17.264 1.00 3.48 H new ATOM 0 HG12 ILE A 25 -22.508 10.044 -14.542 1.00 3.15 H new ATOM 0 HG13 ILE A 25 -21.587 11.164 -15.526 1.00 3.15 H new ATOM 0 HG21 ILE A 25 -23.524 8.478 -17.206 1.00 3.83 H new ATOM 0 HG22 ILE A 25 -22.204 7.286 -17.267 1.00 3.83 H new ATOM 0 HG23 ILE A 25 -23.048 7.601 -15.733 1.00 3.83 H new ATOM 0 HD11 ILE A 25 -23.979 11.715 -15.577 1.00 3.44 H new ATOM 0 HD12 ILE A 25 -23.421 11.227 -17.195 1.00 3.44 H new ATOM 0 HD13 ILE A 25 -24.356 10.090 -16.196 1.00 3.44 H new ATOM 372 N LEU A 26 -19.398 10.193 -14.010 1.00 2.82 N ATOM 373 CA LEU A 26 -18.495 11.283 -13.623 1.00 2.59 C ATOM 374 C LEU A 26 -17.505 10.834 -12.538 1.00 2.38 C ATOM 375 O LEU A 26 -17.904 10.329 -11.494 1.00 3.06 O ATOM 376 CB LEU A 26 -19.333 12.500 -13.207 1.00 2.61 C ATOM 377 CG LEU A 26 -18.470 13.718 -12.802 1.00 2.51 C ATOM 378 CD1 LEU A 26 -18.996 14.993 -13.450 1.00 2.83 C ATOM 379 CD2 LEU A 26 -18.482 13.913 -11.296 1.00 2.70 C ATOM 0 H LEU A 26 -20.002 9.881 -13.249 1.00 2.82 H new ATOM 0 HA LEU A 26 -17.879 11.572 -14.474 1.00 2.59 H new ATOM 0 HB2 LEU A 26 -19.987 12.783 -14.032 1.00 2.61 H new ATOM 0 HB3 LEU A 26 -19.976 12.223 -12.371 1.00 2.61 H new ATOM 0 HG LEU A 26 -17.453 13.520 -13.142 1.00 2.51 H new ATOM 0 HD11 LEU A 26 -18.374 15.837 -13.151 1.00 2.83 H new ATOM 0 HD12 LEU A 26 -18.968 14.888 -14.535 1.00 2.83 H new ATOM 0 HD13 LEU A 26 -20.023 15.168 -13.128 1.00 2.83 H new ATOM 0 HD21 LEU A 26 -17.868 14.775 -11.036 1.00 2.70 H new ATOM 0 HD22 LEU A 26 -19.505 14.081 -10.959 1.00 2.70 H new ATOM 0 HD23 LEU A 26 -18.081 13.023 -10.811 1.00 2.70 H new ATOM 391 N LEU A 27 -16.220 11.083 -12.795 1.00 1.82 N ATOM 392 CA LEU A 27 -15.114 10.817 -11.868 1.00 1.57 C ATOM 393 C LEU A 27 -14.208 12.047 -11.723 1.00 1.50 C ATOM 394 O LEU A 27 -13.714 12.583 -12.723 1.00 1.93 O ATOM 395 CB LEU A 27 -14.304 9.568 -12.280 1.00 1.89 C ATOM 396 CG LEU A 27 -15.054 8.220 -12.179 1.00 2.45 C ATOM 397 CD1 LEU A 27 -15.811 7.852 -13.459 1.00 2.59 C ATOM 398 CD2 LEU A 27 -14.056 7.088 -11.921 1.00 3.17 C ATOM 0 H LEU A 27 -15.909 11.487 -13.679 1.00 1.82 H new ATOM 0 HA LEU A 27 -15.552 10.606 -10.893 1.00 1.57 H new ATOM 0 HB2 LEU A 27 -13.967 9.699 -13.308 1.00 1.89 H new ATOM 0 HB3 LEU A 27 -13.412 9.514 -11.656 1.00 1.89 H new ATOM 0 HG LEU A 27 -15.769 8.340 -11.365 1.00 2.45 H new ATOM 0 HD11 LEU A 27 -16.315 6.896 -13.321 1.00 2.59 H new ATOM 0 HD12 LEU A 27 -16.549 8.623 -13.679 1.00 2.59 H new ATOM 0 HD13 LEU A 27 -15.108 7.775 -14.288 1.00 2.59 H new ATOM 0 HD21 LEU A 27 -14.591 6.141 -11.851 1.00 3.17 H new ATOM 0 HD22 LEU A 27 -13.340 7.041 -12.741 1.00 3.17 H new ATOM 0 HD23 LEU A 27 -13.526 7.276 -10.987 1.00 3.17 H new ATOM 410 N SER A 28 -13.971 12.453 -10.473 1.00 1.22 N ATOM 411 CA SER A 28 -13.165 13.608 -10.064 1.00 1.32 C ATOM 412 C SER A 28 -12.206 13.206 -8.939 1.00 1.11 C ATOM 413 O SER A 28 -12.590 12.450 -8.049 1.00 1.14 O ATOM 414 CB SER A 28 -14.097 14.717 -9.571 1.00 1.52 C ATOM 415 OG SER A 28 -13.416 15.954 -9.588 1.00 2.00 O ATOM 0 H SER A 28 -14.359 11.955 -9.672 1.00 1.22 H new ATOM 0 HA SER A 28 -12.583 13.964 -10.914 1.00 1.32 H new ATOM 0 HB2 SER A 28 -14.982 14.770 -10.205 1.00 1.52 H new ATOM 0 HB3 SER A 28 -14.441 14.494 -8.561 1.00 1.52 H new ATOM 0 HG SER A 28 -14.016 16.662 -9.273 1.00 2.00 H new ATOM 421 N GLU A 29 -10.966 13.693 -8.954 1.00 1.06 N ATOM 422 CA GLU A 29 -9.883 13.206 -8.080 1.00 0.94 C ATOM 423 C GLU A 29 -9.382 14.291 -7.097 1.00 0.97 C ATOM 424 O GLU A 29 -9.383 15.478 -7.431 1.00 1.10 O ATOM 425 CB GLU A 29 -8.727 12.644 -8.939 1.00 1.01 C ATOM 426 CG GLU A 29 -9.172 11.711 -10.088 1.00 1.09 C ATOM 427 CD GLU A 29 -8.015 11.144 -10.932 1.00 1.59 C ATOM 428 OE1 GLU A 29 -6.818 11.412 -10.663 1.00 2.54 O ATOM 429 OE2 GLU A 29 -8.296 10.415 -11.918 1.00 2.67 O ATOM 0 H GLU A 29 -10.675 14.445 -9.578 1.00 1.06 H new ATOM 0 HA GLU A 29 -10.288 12.403 -7.463 1.00 0.94 H new ATOM 0 HB2 GLU A 29 -8.168 13.478 -9.362 1.00 1.01 H new ATOM 0 HB3 GLU A 29 -8.042 12.098 -8.290 1.00 1.01 H new ATOM 0 HG2 GLU A 29 -9.739 10.881 -9.667 1.00 1.09 H new ATOM 0 HG3 GLU A 29 -9.849 12.259 -10.743 1.00 1.09 H new ATOM 436 N GLU A 30 -8.916 13.906 -5.903 1.00 0.90 N ATOM 437 CA GLU A 30 -8.208 14.766 -4.932 1.00 1.02 C ATOM 438 C GLU A 30 -6.958 14.057 -4.386 1.00 0.91 C ATOM 439 O GLU A 30 -7.070 12.959 -3.847 1.00 0.69 O ATOM 440 CB GLU A 30 -9.078 15.157 -3.711 1.00 1.19 C ATOM 441 CG GLU A 30 -10.528 15.561 -3.992 1.00 1.36 C ATOM 442 CD GLU A 30 -11.110 16.420 -2.853 1.00 1.60 C ATOM 443 OE1 GLU A 30 -10.825 17.643 -2.783 1.00 2.69 O ATOM 444 OE2 GLU A 30 -11.888 15.920 -2.003 1.00 2.43 O ATOM 0 H GLU A 30 -9.023 12.949 -5.568 1.00 0.90 H new ATOM 0 HA GLU A 30 -7.949 15.668 -5.486 1.00 1.02 H new ATOM 0 HB2 GLU A 30 -9.089 14.315 -3.019 1.00 1.19 H new ATOM 0 HB3 GLU A 30 -8.589 15.985 -3.198 1.00 1.19 H new ATOM 0 HG2 GLU A 30 -10.576 16.117 -4.928 1.00 1.36 H new ATOM 0 HG3 GLU A 30 -11.137 14.666 -4.121 1.00 1.36 H new ATOM 451 N GLN A 31 -5.771 14.668 -4.457 1.00 1.27 N ATOM 452 CA GLN A 31 -4.596 14.172 -3.726 1.00 1.20 C ATOM 453 C GLN A 31 -4.601 14.776 -2.316 1.00 1.18 C ATOM 454 O GLN A 31 -4.691 16.000 -2.167 1.00 1.41 O ATOM 455 CB GLN A 31 -3.288 14.471 -4.473 1.00 1.45 C ATOM 456 CG GLN A 31 -3.153 13.659 -5.767 1.00 1.71 C ATOM 457 CD GLN A 31 -1.736 13.755 -6.263 1.00 1.88 C ATOM 458 OE1 GLN A 31 -1.287 14.750 -6.825 1.00 2.05 O ATOM 459 NE2 GLN A 31 -0.940 12.814 -5.833 1.00 1.99 N ATOM 0 H GLN A 31 -5.597 15.506 -5.012 1.00 1.27 H new ATOM 0 HA GLN A 31 -4.654 13.086 -3.650 1.00 1.20 H new ATOM 0 HB2 GLN A 31 -3.243 15.534 -4.708 1.00 1.45 H new ATOM 0 HB3 GLN A 31 -2.443 14.253 -3.821 1.00 1.45 H new ATOM 0 HG2 GLN A 31 -3.418 12.617 -5.587 1.00 1.71 H new ATOM 0 HG3 GLN A 31 -3.842 14.037 -6.522 1.00 1.71 H new ATOM 0 HE21 GLN A 31 -1.326 11.993 -5.368 1.00 1.99 H new ATOM 0 HE22 GLN A 31 0.068 12.900 -5.962 1.00 1.99 H new ATOM 468 N VAL A 32 -4.510 13.938 -1.283 1.00 1.02 N ATOM 469 CA VAL A 32 -4.611 14.324 0.136 1.00 1.09 C ATOM 470 C VAL A 32 -3.460 13.750 0.963 1.00 1.05 C ATOM 471 O VAL A 32 -2.833 12.769 0.566 1.00 0.96 O ATOM 472 CB VAL A 32 -5.968 13.915 0.753 1.00 1.12 C ATOM 473 CG1 VAL A 32 -7.158 14.456 -0.050 1.00 1.21 C ATOM 474 CG2 VAL A 32 -6.142 12.398 0.912 1.00 1.01 C ATOM 0 H VAL A 32 -4.359 12.937 -1.409 1.00 1.02 H new ATOM 0 HA VAL A 32 -4.543 15.412 0.163 1.00 1.09 H new ATOM 0 HB VAL A 32 -5.954 14.365 1.746 1.00 1.12 H new ATOM 0 HG11 VAL A 32 -8.089 14.142 0.423 1.00 1.21 H new ATOM 0 HG12 VAL A 32 -7.114 15.545 -0.077 1.00 1.21 H new ATOM 0 HG13 VAL A 32 -7.118 14.066 -1.067 1.00 1.21 H new ATOM 0 HG21 VAL A 32 -7.117 12.188 1.351 1.00 1.01 H new ATOM 0 HG22 VAL A 32 -6.073 11.919 -0.065 1.00 1.01 H new ATOM 0 HG23 VAL A 32 -5.359 12.008 1.563 1.00 1.01 H new ATOM 484 N ASP A 33 -3.228 14.306 2.151 1.00 1.20 N ATOM 485 CA ASP A 33 -2.244 13.773 3.102 1.00 1.24 C ATOM 486 C ASP A 33 -2.760 12.482 3.771 1.00 1.15 C ATOM 487 O ASP A 33 -3.957 12.323 4.017 1.00 1.11 O ATOM 488 CB ASP A 33 -1.919 14.835 4.167 1.00 1.42 C ATOM 489 CG ASP A 33 -0.692 15.674 3.812 1.00 2.54 C ATOM 490 OD1 ASP A 33 -0.764 16.577 2.944 1.00 3.91 O ATOM 491 OD2 ASP A 33 0.370 15.477 4.446 1.00 2.92 O ATOM 0 H ASP A 33 -3.715 15.138 2.485 1.00 1.20 H new ATOM 0 HA ASP A 33 -1.335 13.525 2.554 1.00 1.24 H new ATOM 0 HB2 ASP A 33 -2.779 15.493 4.292 1.00 1.42 H new ATOM 0 HB3 ASP A 33 -1.752 14.343 5.125 1.00 1.42 H new ATOM 496 N VAL A 34 -1.848 11.558 4.097 1.00 1.14 N ATOM 497 CA VAL A 34 -2.160 10.205 4.618 1.00 1.08 C ATOM 498 C VAL A 34 -3.028 10.190 5.894 1.00 1.16 C ATOM 499 O VAL A 34 -3.763 9.233 6.140 1.00 1.18 O ATOM 500 CB VAL A 34 -0.854 9.396 4.787 1.00 1.10 C ATOM 501 CG1 VAL A 34 0.096 9.988 5.839 1.00 1.40 C ATOM 502 CG2 VAL A 34 -1.108 7.922 5.124 1.00 1.10 C ATOM 0 H VAL A 34 -0.846 11.726 4.007 1.00 1.14 H new ATOM 0 HA VAL A 34 -2.789 9.721 3.871 1.00 1.08 H new ATOM 0 HB VAL A 34 -0.373 9.460 3.811 1.00 1.10 H new ATOM 0 HG11 VAL A 34 0.993 9.372 5.907 1.00 1.40 H new ATOM 0 HG12 VAL A 34 0.373 11.002 5.549 1.00 1.40 H new ATOM 0 HG13 VAL A 34 -0.403 10.011 6.808 1.00 1.40 H new ATOM 0 HG21 VAL A 34 -0.155 7.404 5.231 1.00 1.10 H new ATOM 0 HG22 VAL A 34 -1.665 7.853 6.058 1.00 1.10 H new ATOM 0 HG23 VAL A 34 -1.684 7.460 4.323 1.00 1.10 H new ATOM 512 N GLU A 35 -3.024 11.266 6.682 1.00 1.28 N ATOM 513 CA GLU A 35 -3.904 11.432 7.852 1.00 1.39 C ATOM 514 C GLU A 35 -5.376 11.749 7.508 1.00 1.37 C ATOM 515 O GLU A 35 -6.240 11.649 8.382 1.00 1.51 O ATOM 516 CB GLU A 35 -3.320 12.493 8.787 1.00 1.54 C ATOM 517 CG GLU A 35 -2.136 11.951 9.599 1.00 2.29 C ATOM 518 CD GLU A 35 -1.611 12.997 10.585 1.00 2.66 C ATOM 519 OE1 GLU A 35 -2.099 13.060 11.741 1.00 2.77 O ATOM 520 OE2 GLU A 35 -0.693 13.763 10.216 1.00 3.84 O ATOM 0 H GLU A 35 -2.403 12.060 6.528 1.00 1.28 H new ATOM 0 HA GLU A 35 -3.936 10.464 8.352 1.00 1.39 H new ATOM 0 HB2 GLU A 35 -2.995 13.353 8.202 1.00 1.54 H new ATOM 0 HB3 GLU A 35 -4.096 12.844 9.467 1.00 1.54 H new ATOM 0 HG2 GLU A 35 -2.444 11.058 10.143 1.00 2.29 H new ATOM 0 HG3 GLU A 35 -1.335 11.652 8.923 1.00 2.29 H new ATOM 527 N LEU A 36 -5.685 12.119 6.261 1.00 1.24 N ATOM 528 CA LEU A 36 -6.988 12.660 5.840 1.00 1.24 C ATOM 529 C LEU A 36 -7.837 11.670 5.019 1.00 1.14 C ATOM 530 O LEU A 36 -9.035 11.882 4.834 1.00 1.11 O ATOM 531 CB LEU A 36 -6.739 13.963 5.052 1.00 1.27 C ATOM 532 CG LEU A 36 -5.774 14.973 5.711 1.00 1.38 C ATOM 533 CD1 LEU A 36 -5.655 16.217 4.837 1.00 1.44 C ATOM 534 CD2 LEU A 36 -6.212 15.426 7.103 1.00 1.47 C ATOM 0 H LEU A 36 -5.018 12.050 5.492 1.00 1.24 H new ATOM 0 HA LEU A 36 -7.575 12.856 6.737 1.00 1.24 H new ATOM 0 HB2 LEU A 36 -6.346 13.702 4.069 1.00 1.27 H new ATOM 0 HB3 LEU A 36 -7.697 14.457 4.891 1.00 1.27 H new ATOM 0 HG LEU A 36 -4.823 14.450 5.812 1.00 1.38 H new ATOM 0 HD11 LEU A 36 -4.973 16.927 5.305 1.00 1.44 H new ATOM 0 HD12 LEU A 36 -5.270 15.937 3.856 1.00 1.44 H new ATOM 0 HD13 LEU A 36 -6.637 16.677 4.724 1.00 1.44 H new ATOM 0 HD21 LEU A 36 -5.485 16.134 7.501 1.00 1.47 H new ATOM 0 HD22 LEU A 36 -7.188 15.906 7.039 1.00 1.47 H new ATOM 0 HD23 LEU A 36 -6.276 14.561 7.764 1.00 1.47 H new ATOM 546 N VAL A 37 -7.235 10.577 4.546 1.00 1.13 N ATOM 547 CA VAL A 37 -7.924 9.438 3.912 1.00 1.04 C ATOM 548 C VAL A 37 -8.468 8.474 4.976 1.00 1.11 C ATOM 549 O VAL A 37 -7.812 8.246 5.996 1.00 1.56 O ATOM 550 CB VAL A 37 -6.998 8.753 2.882 1.00 0.98 C ATOM 551 CG1 VAL A 37 -5.657 8.285 3.463 1.00 1.00 C ATOM 552 CG2 VAL A 37 -7.666 7.560 2.195 1.00 1.08 C ATOM 0 H VAL A 37 -6.224 10.451 4.592 1.00 1.13 H new ATOM 0 HA VAL A 37 -8.789 9.801 3.357 1.00 1.04 H new ATOM 0 HB VAL A 37 -6.800 9.538 2.152 1.00 0.98 H new ATOM 0 HG11 VAL A 37 -5.065 7.815 2.678 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -5.115 9.142 3.863 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -5.838 7.565 4.261 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -6.972 7.116 1.482 1.00 1.08 H new ATOM 0 HG22 VAL A 37 -7.942 6.817 2.943 1.00 1.08 H new ATOM 0 HG23 VAL A 37 -8.560 7.896 1.670 1.00 1.08 H new ATOM 562 N GLN A 38 -9.653 7.897 4.751 1.00 1.11 N ATOM 563 CA GLN A 38 -10.313 6.964 5.675 1.00 1.09 C ATOM 564 C GLN A 38 -10.450 5.547 5.111 1.00 0.90 C ATOM 565 O GLN A 38 -10.459 5.321 3.900 1.00 0.82 O ATOM 566 CB GLN A 38 -11.704 7.482 6.066 1.00 1.23 C ATOM 567 CG GLN A 38 -11.643 8.717 6.963 1.00 1.90 C ATOM 568 CD GLN A 38 -12.977 8.961 7.616 1.00 2.05 C ATOM 569 OE1 GLN A 38 -13.187 8.689 8.797 1.00 2.96 O ATOM 570 NE2 GLN A 38 -13.957 9.405 6.886 1.00 2.14 N ATOM 0 H GLN A 38 -10.193 8.068 3.903 1.00 1.11 H new ATOM 0 HA GLN A 38 -9.668 6.909 6.552 1.00 1.09 H new ATOM 0 HB2 GLN A 38 -12.265 7.722 5.163 1.00 1.23 H new ATOM 0 HB3 GLN A 38 -12.250 6.691 6.580 1.00 1.23 H new ATOM 0 HG2 GLN A 38 -10.877 8.582 7.727 1.00 1.90 H new ATOM 0 HG3 GLN A 38 -11.355 9.588 6.374 1.00 1.90 H new ATOM 0 HE21 GLN A 38 -13.799 9.635 5.905 1.00 2.14 H new ATOM 0 HE22 GLN A 38 -14.884 9.523 7.294 1.00 2.14 H new ATOM 579 N ARG A 39 -10.672 4.579 6.008 1.00 0.91 N ATOM 580 CA ARG A 39 -10.844 3.136 5.680 1.00 0.87 C ATOM 581 C ARG A 39 -12.213 2.749 5.086 1.00 0.86 C ATOM 582 O ARG A 39 -12.726 1.646 5.291 1.00 1.56 O ATOM 583 CB ARG A 39 -10.396 2.254 6.851 1.00 1.10 C ATOM 584 CG ARG A 39 -11.314 2.349 8.072 1.00 1.34 C ATOM 585 CD ARG A 39 -10.676 1.627 9.254 1.00 1.57 C ATOM 586 NE ARG A 39 -11.536 1.706 10.443 1.00 1.85 N ATOM 587 CZ ARG A 39 -11.204 1.458 11.694 1.00 3.04 C ATOM 588 NH1 ARG A 39 -10.040 1.007 12.072 1.00 4.31 N ATOM 589 NH2 ARG A 39 -12.090 1.683 12.612 1.00 3.21 N ATOM 0 H ARG A 39 -10.741 4.769 7.008 1.00 0.91 H new ATOM 0 HA ARG A 39 -10.173 2.937 4.844 1.00 0.87 H new ATOM 0 HB2 ARG A 39 -10.353 1.217 6.519 1.00 1.10 H new ATOM 0 HB3 ARG A 39 -9.385 2.538 7.143 1.00 1.10 H new ATOM 0 HG2 ARG A 39 -11.491 3.394 8.325 1.00 1.34 H new ATOM 0 HG3 ARG A 39 -12.284 1.907 7.845 1.00 1.34 H new ATOM 0 HD2 ARG A 39 -10.501 0.583 8.996 1.00 1.57 H new ATOM 0 HD3 ARG A 39 -9.704 2.069 9.473 1.00 1.57 H new ATOM 0 HE ARG A 39 -12.503 1.986 10.281 1.00 1.85 H new ATOM 0 HH11 ARG A 39 -9.315 0.823 11.379 1.00 4.31 H new ATOM 0 HH12 ARG A 39 -9.855 0.838 13.061 1.00 4.31 H new ATOM 0 HH21 ARG A 39 -13.010 2.041 12.356 1.00 3.21 H new ATOM 0 HH22 ARG A 39 -11.867 1.502 13.591 1.00 3.21 H new ATOM 603 N GLY A 40 -12.785 3.701 4.359 1.00 1.11 N ATOM 604 CA GLY A 40 -13.961 3.586 3.493 1.00 1.01 C ATOM 605 C GLY A 40 -13.763 4.200 2.094 1.00 0.82 C ATOM 606 O GLY A 40 -14.691 4.156 1.283 1.00 0.81 O ATOM 0 H GLY A 40 -12.412 4.650 4.357 1.00 1.11 H new ATOM 0 HA2 GLY A 40 -14.219 2.533 3.384 1.00 1.01 H new ATOM 0 HA3 GLY A 40 -14.807 4.074 3.978 1.00 1.01 H new ATOM 610 N ASP A 41 -12.583 4.762 1.790 1.00 0.87 N ATOM 611 CA ASP A 41 -12.233 5.358 0.489 1.00 0.77 C ATOM 612 C ASP A 41 -11.611 4.319 -0.482 1.00 0.58 C ATOM 613 O ASP A 41 -11.103 3.272 -0.059 1.00 0.66 O ATOM 614 CB ASP A 41 -11.288 6.563 0.704 1.00 0.91 C ATOM 615 CG ASP A 41 -11.892 7.729 1.508 1.00 1.29 C ATOM 616 OD1 ASP A 41 -13.074 8.100 1.304 1.00 1.90 O ATOM 617 OD2 ASP A 41 -11.197 8.355 2.338 1.00 2.19 O ATOM 0 H ASP A 41 -11.820 4.816 2.465 1.00 0.87 H new ATOM 0 HA ASP A 41 -13.152 5.708 0.018 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -10.391 6.215 1.216 1.00 0.91 H new ATOM 0 HB3 ASP A 41 -10.974 6.938 -0.270 1.00 0.91 H new ATOM 622 N ILE A 42 -11.626 4.619 -1.789 1.00 0.52 N ATOM 623 CA ILE A 42 -10.962 3.842 -2.858 1.00 0.59 C ATOM 624 C ILE A 42 -9.923 4.743 -3.536 1.00 0.50 C ATOM 625 O ILE A 42 -10.247 5.860 -3.949 1.00 0.60 O ATOM 626 CB ILE A 42 -11.975 3.246 -3.868 1.00 0.89 C ATOM 627 CG1 ILE A 42 -12.993 2.335 -3.141 1.00 1.08 C ATOM 628 CG2 ILE A 42 -11.236 2.455 -4.968 1.00 1.13 C ATOM 629 CD1 ILE A 42 -14.075 1.724 -4.041 1.00 1.22 C ATOM 0 H ILE A 42 -12.117 5.438 -2.149 1.00 0.52 H new ATOM 0 HA ILE A 42 -10.459 2.980 -2.419 1.00 0.59 H new ATOM 0 HB ILE A 42 -12.519 4.067 -4.336 1.00 0.89 H new ATOM 0 HG12 ILE A 42 -12.450 1.527 -2.652 1.00 1.08 H new ATOM 0 HG13 ILE A 42 -13.479 2.913 -2.355 1.00 1.08 H new ATOM 0 HG21 ILE A 42 -11.961 2.043 -5.669 1.00 1.13 H new ATOM 0 HG22 ILE A 42 -10.555 3.120 -5.499 1.00 1.13 H new ATOM 0 HG23 ILE A 42 -10.669 1.643 -4.513 1.00 1.13 H new ATOM 0 HD11 ILE A 42 -14.739 1.103 -3.441 1.00 1.22 H new ATOM 0 HD12 ILE A 42 -14.650 2.522 -4.511 1.00 1.22 H new ATOM 0 HD13 ILE A 42 -13.605 1.113 -4.812 1.00 1.22 H new ATOM 641 N ILE A 43 -8.685 4.254 -3.650 1.00 0.44 N ATOM 642 CA ILE A 43 -7.494 5.035 -4.002 1.00 0.43 C ATOM 643 C ILE A 43 -6.788 4.554 -5.281 1.00 0.48 C ATOM 644 O ILE A 43 -6.523 3.359 -5.457 1.00 0.64 O ATOM 645 CB ILE A 43 -6.530 5.005 -2.784 1.00 0.49 C ATOM 646 CG1 ILE A 43 -7.182 5.482 -1.460 1.00 0.70 C ATOM 647 CG2 ILE A 43 -5.224 5.780 -3.027 1.00 0.55 C ATOM 648 CD1 ILE A 43 -7.752 6.907 -1.478 1.00 0.85 C ATOM 0 H ILE A 43 -8.476 3.268 -3.494 1.00 0.44 H new ATOM 0 HA ILE A 43 -7.809 6.053 -4.229 1.00 0.43 H new ATOM 0 HB ILE A 43 -6.286 3.949 -2.672 1.00 0.49 H new ATOM 0 HG12 ILE A 43 -7.985 4.792 -1.202 1.00 0.70 H new ATOM 0 HG13 ILE A 43 -6.438 5.417 -0.666 1.00 0.70 H new ATOM 0 HG21 ILE A 43 -4.595 5.720 -2.139 1.00 0.55 H new ATOM 0 HG22 ILE A 43 -4.696 5.346 -3.876 1.00 0.55 H new ATOM 0 HG23 ILE A 43 -5.455 6.824 -3.239 1.00 0.55 H new ATOM 0 HD11 ILE A 43 -8.183 7.139 -0.504 1.00 0.85 H new ATOM 0 HD12 ILE A 43 -6.954 7.615 -1.699 1.00 0.85 H new ATOM 0 HD13 ILE A 43 -8.524 6.980 -2.244 1.00 0.85 H new ATOM 660 N LYS A 44 -6.387 5.510 -6.132 1.00 0.51 N ATOM 661 CA LYS A 44 -5.550 5.278 -7.324 1.00 0.56 C ATOM 662 C LYS A 44 -4.079 5.103 -6.972 1.00 0.71 C ATOM 663 O LYS A 44 -3.537 5.831 -6.137 1.00 1.02 O ATOM 664 CB LYS A 44 -5.585 6.469 -8.304 1.00 0.83 C ATOM 665 CG LYS A 44 -6.966 6.998 -8.677 1.00 2.00 C ATOM 666 CD LYS A 44 -7.835 6.034 -9.486 1.00 2.36 C ATOM 667 CE LYS A 44 -7.259 5.613 -10.842 1.00 1.55 C ATOM 668 NZ LYS A 44 -7.014 6.765 -11.746 1.00 1.95 N ATOM 0 H LYS A 44 -6.641 6.490 -6.010 1.00 0.51 H new ATOM 0 HA LYS A 44 -5.966 4.376 -7.772 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -5.012 7.287 -7.868 1.00 0.83 H new ATOM 0 HB3 LYS A 44 -5.073 6.173 -9.220 1.00 0.83 H new ATOM 0 HG2 LYS A 44 -7.497 7.260 -7.762 1.00 2.00 H new ATOM 0 HG3 LYS A 44 -6.843 7.918 -9.248 1.00 2.00 H new ATOM 0 HD2 LYS A 44 -8.007 5.138 -8.889 1.00 2.36 H new ATOM 0 HD3 LYS A 44 -8.807 6.499 -9.651 1.00 2.36 H new ATOM 0 HE2 LYS A 44 -6.324 5.076 -10.683 1.00 1.55 H new ATOM 0 HE3 LYS A 44 -7.947 4.919 -11.324 1.00 1.55 H new ATOM 0 HZ1 LYS A 44 -6.625 6.422 -12.648 1.00 1.95 H new ATOM 0 HZ2 LYS A 44 -7.909 7.264 -11.923 1.00 1.95 H new ATOM 0 HZ3 LYS A 44 -6.336 7.417 -11.302 1.00 1.95 H new ATOM 682 N VAL A 45 -3.412 4.220 -7.708 1.00 0.55 N ATOM 683 CA VAL A 45 -1.942 4.097 -7.706 1.00 0.56 C ATOM 684 C VAL A 45 -1.393 4.093 -9.140 1.00 0.66 C ATOM 685 O VAL A 45 -1.931 3.407 -10.015 1.00 0.78 O ATOM 686 CB VAL A 45 -1.467 2.909 -6.849 1.00 0.52 C ATOM 687 CG1 VAL A 45 -1.730 1.556 -7.508 1.00 0.66 C ATOM 688 CG2 VAL A 45 0.025 3.026 -6.517 1.00 0.49 C ATOM 0 H VAL A 45 -3.873 3.558 -8.332 1.00 0.55 H new ATOM 0 HA VAL A 45 -1.520 4.978 -7.223 1.00 0.56 H new ATOM 0 HB VAL A 45 -2.053 2.954 -5.931 1.00 0.52 H new ATOM 0 HG11 VAL A 45 -1.373 0.758 -6.856 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -2.800 1.435 -7.677 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -1.204 1.507 -8.462 1.00 0.66 H new ATOM 0 HG21 VAL A 45 0.331 2.173 -5.911 1.00 0.49 H new ATOM 0 HG22 VAL A 45 0.603 3.041 -7.441 1.00 0.49 H new ATOM 0 HG23 VAL A 45 0.203 3.947 -5.963 1.00 0.49 H new ATOM 698 N VAL A 46 -0.355 4.892 -9.387 1.00 0.67 N ATOM 699 CA VAL A 46 0.181 5.207 -10.731 1.00 0.73 C ATOM 700 C VAL A 46 1.468 4.420 -11.046 1.00 0.60 C ATOM 701 O VAL A 46 2.062 3.832 -10.131 1.00 0.57 O ATOM 702 CB VAL A 46 0.368 6.740 -10.875 1.00 0.95 C ATOM 703 CG1 VAL A 46 -0.926 7.479 -10.502 1.00 1.17 C ATOM 704 CG2 VAL A 46 1.562 7.288 -10.084 1.00 0.97 C ATOM 0 H VAL A 46 0.160 5.358 -8.640 1.00 0.67 H new ATOM 0 HA VAL A 46 -0.545 4.883 -11.477 1.00 0.73 H new ATOM 0 HB VAL A 46 0.595 6.925 -11.925 1.00 0.95 H new ATOM 0 HG11 VAL A 46 -0.775 8.553 -10.609 1.00 1.17 H new ATOM 0 HG12 VAL A 46 -1.732 7.158 -11.162 1.00 1.17 H new ATOM 0 HG13 VAL A 46 -1.191 7.251 -9.469 1.00 1.17 H new ATOM 0 HG21 VAL A 46 1.632 8.366 -10.231 1.00 0.97 H new ATOM 0 HG22 VAL A 46 1.425 7.075 -9.024 1.00 0.97 H new ATOM 0 HG23 VAL A 46 2.479 6.814 -10.434 1.00 0.97 H new ATOM 714 N PRO A 47 1.949 4.376 -12.306 1.00 0.65 N ATOM 715 CA PRO A 47 3.255 3.792 -12.615 1.00 0.68 C ATOM 716 C PRO A 47 4.394 4.539 -11.899 1.00 0.69 C ATOM 717 O PRO A 47 4.606 5.738 -12.096 1.00 0.87 O ATOM 718 CB PRO A 47 3.379 3.832 -14.143 1.00 0.82 C ATOM 719 CG PRO A 47 2.413 4.932 -14.573 1.00 0.97 C ATOM 720 CD PRO A 47 1.298 4.801 -13.543 1.00 0.79 C ATOM 0 HA PRO A 47 3.335 2.766 -12.255 1.00 0.68 H new ATOM 0 HB2 PRO A 47 4.400 4.056 -14.453 1.00 0.82 H new ATOM 0 HB3 PRO A 47 3.113 2.873 -14.589 1.00 0.82 H new ATOM 0 HG2 PRO A 47 2.879 5.917 -14.546 1.00 0.97 H new ATOM 0 HG3 PRO A 47 2.049 4.780 -15.589 1.00 0.97 H new ATOM 0 HD2 PRO A 47 0.778 5.749 -13.406 1.00 0.79 H new ATOM 0 HD3 PRO A 47 0.553 4.073 -13.863 1.00 0.79 H new ATOM 728 N GLY A 48 5.146 3.813 -11.073 1.00 0.67 N ATOM 729 CA GLY A 48 6.250 4.299 -10.240 1.00 0.74 C ATOM 730 C GLY A 48 5.851 4.755 -8.827 1.00 0.76 C ATOM 731 O GLY A 48 6.739 5.073 -8.032 1.00 0.95 O ATOM 0 H GLY A 48 4.994 2.811 -10.959 1.00 0.67 H new ATOM 0 HA2 GLY A 48 6.994 3.507 -10.153 1.00 0.74 H new ATOM 0 HA3 GLY A 48 6.730 5.133 -10.752 1.00 0.74 H new ATOM 735 N GLY A 49 4.553 4.801 -8.499 1.00 0.67 N ATOM 736 CA GLY A 49 4.051 5.248 -7.193 1.00 0.71 C ATOM 737 C GLY A 49 4.243 4.229 -6.060 1.00 0.74 C ATOM 738 O GLY A 49 4.302 3.019 -6.295 1.00 1.01 O ATOM 0 H GLY A 49 3.812 4.525 -9.143 1.00 0.67 H new ATOM 0 HA2 GLY A 49 4.555 6.175 -6.921 1.00 0.71 H new ATOM 0 HA3 GLY A 49 2.989 5.477 -7.284 1.00 0.71 H new ATOM 742 N LYS A 50 4.315 4.718 -4.814 1.00 0.85 N ATOM 743 CA LYS A 50 4.481 3.902 -3.593 1.00 0.95 C ATOM 744 C LYS A 50 3.202 3.876 -2.745 1.00 1.15 C ATOM 745 O LYS A 50 2.401 4.815 -2.773 1.00 1.37 O ATOM 746 CB LYS A 50 5.694 4.393 -2.778 1.00 1.07 C ATOM 747 CG LYS A 50 6.974 4.535 -3.622 1.00 1.16 C ATOM 748 CD LYS A 50 8.185 4.935 -2.767 1.00 1.35 C ATOM 749 CE LYS A 50 9.433 5.160 -3.626 1.00 1.58 C ATOM 750 NZ LYS A 50 10.572 5.668 -2.824 1.00 1.99 N ATOM 0 H LYS A 50 4.258 5.717 -4.618 1.00 0.85 H new ATOM 0 HA LYS A 50 4.672 2.874 -3.900 1.00 0.95 H new ATOM 0 HB2 LYS A 50 5.455 5.356 -2.327 1.00 1.07 H new ATOM 0 HB3 LYS A 50 5.881 3.696 -1.961 1.00 1.07 H new ATOM 0 HG2 LYS A 50 7.182 3.591 -4.127 1.00 1.16 H new ATOM 0 HG3 LYS A 50 6.815 5.283 -4.398 1.00 1.16 H new ATOM 0 HD2 LYS A 50 7.955 5.845 -2.213 1.00 1.35 H new ATOM 0 HD3 LYS A 50 8.385 4.156 -2.031 1.00 1.35 H new ATOM 0 HE2 LYS A 50 9.716 4.224 -4.107 1.00 1.58 H new ATOM 0 HE3 LYS A 50 9.204 5.870 -4.421 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 11.397 5.807 -3.442 1.00 1.99 H new ATOM 0 HZ2 LYS A 50 10.311 6.574 -2.386 1.00 1.99 H new ATOM 0 HZ3 LYS A 50 10.808 4.979 -2.081 1.00 1.99 H new ATOM 764 N PHE A 51 3.014 2.802 -1.973 1.00 1.24 N ATOM 765 CA PHE A 51 1.807 2.588 -1.155 1.00 1.35 C ATOM 766 C PHE A 51 1.903 3.189 0.273 1.00 1.40 C ATOM 767 O PHE A 51 2.824 2.833 1.013 1.00 1.39 O ATOM 768 CB PHE A 51 1.480 1.088 -1.091 1.00 1.36 C ATOM 769 CG PHE A 51 0.946 0.504 -2.386 1.00 1.28 C ATOM 770 CD1 PHE A 51 -0.360 0.814 -2.809 1.00 2.17 C ATOM 771 CD2 PHE A 51 1.737 -0.363 -3.162 1.00 1.75 C ATOM 772 CE1 PHE A 51 -0.864 0.265 -4.001 1.00 2.29 C ATOM 773 CE2 PHE A 51 1.231 -0.919 -4.350 1.00 1.62 C ATOM 774 CZ PHE A 51 -0.072 -0.608 -4.769 1.00 1.33 C ATOM 0 H PHE A 51 3.697 2.049 -1.894 1.00 1.24 H new ATOM 0 HA PHE A 51 0.997 3.126 -1.648 1.00 1.35 H new ATOM 0 HB2 PHE A 51 2.381 0.545 -0.807 1.00 1.36 H new ATOM 0 HB3 PHE A 51 0.746 0.923 -0.303 1.00 1.36 H new ATOM 0 HD1 PHE A 51 -0.976 1.475 -2.217 1.00 2.17 H new ATOM 0 HD2 PHE A 51 2.740 -0.603 -2.843 1.00 1.75 H new ATOM 0 HE1 PHE A 51 -1.863 0.514 -4.328 1.00 2.29 H new ATOM 0 HE2 PHE A 51 1.844 -1.585 -4.939 1.00 1.62 H new ATOM 0 HZ PHE A 51 -0.465 -1.038 -5.678 1.00 1.33 H new ATOM 784 N PRO A 52 0.942 4.028 0.724 1.00 1.42 N ATOM 785 CA PRO A 52 0.913 4.594 2.086 1.00 1.36 C ATOM 786 C PRO A 52 0.271 3.676 3.148 1.00 1.24 C ATOM 787 O PRO A 52 0.547 3.811 4.343 1.00 1.22 O ATOM 788 CB PRO A 52 0.123 5.903 1.939 1.00 1.41 C ATOM 789 CG PRO A 52 -0.846 5.625 0.794 1.00 1.44 C ATOM 790 CD PRO A 52 -0.071 4.669 -0.109 1.00 1.47 C ATOM 0 HA PRO A 52 1.929 4.735 2.455 1.00 1.36 H new ATOM 0 HB2 PRO A 52 -0.407 6.154 2.858 1.00 1.41 H new ATOM 0 HB3 PRO A 52 0.780 6.742 1.710 1.00 1.41 H new ATOM 0 HG2 PRO A 52 -1.772 5.175 1.153 1.00 1.44 H new ATOM 0 HG3 PRO A 52 -1.119 6.540 0.269 1.00 1.44 H new ATOM 0 HD2 PRO A 52 -0.737 3.926 -0.547 1.00 1.47 H new ATOM 0 HD3 PRO A 52 0.393 5.208 -0.935 1.00 1.47 H new ATOM 798 N VAL A 53 -0.571 2.732 2.715 1.00 1.19 N ATOM 799 CA VAL A 53 -1.353 1.789 3.537 1.00 1.09 C ATOM 800 C VAL A 53 -1.429 0.431 2.823 1.00 1.17 C ATOM 801 O VAL A 53 -1.002 0.310 1.675 1.00 1.32 O ATOM 802 CB VAL A 53 -2.770 2.313 3.867 1.00 1.01 C ATOM 803 CG1 VAL A 53 -2.727 3.547 4.775 1.00 1.00 C ATOM 804 CG2 VAL A 53 -3.592 2.639 2.618 1.00 0.98 C ATOM 0 H VAL A 53 -0.739 2.593 1.718 1.00 1.19 H new ATOM 0 HA VAL A 53 -0.839 1.678 4.492 1.00 1.09 H new ATOM 0 HB VAL A 53 -3.261 1.495 4.394 1.00 1.01 H new ATOM 0 HG11 VAL A 53 -3.743 3.882 4.982 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -2.231 3.292 5.712 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -2.176 4.345 4.278 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -4.576 3.002 2.915 1.00 0.98 H new ATOM 0 HG22 VAL A 53 -3.082 3.407 2.037 1.00 0.98 H new ATOM 0 HG23 VAL A 53 -3.704 1.740 2.012 1.00 0.98 H new ATOM 814 N ASP A 54 -1.931 -0.600 3.502 1.00 1.11 N ATOM 815 CA ASP A 54 -2.274 -1.885 2.873 1.00 1.10 C ATOM 816 C ASP A 54 -3.684 -1.834 2.259 1.00 1.26 C ATOM 817 O ASP A 54 -4.459 -0.920 2.556 1.00 1.64 O ATOM 818 CB ASP A 54 -2.101 -3.018 3.899 1.00 0.93 C ATOM 819 CG ASP A 54 -3.146 -2.994 5.015 1.00 1.15 C ATOM 820 OD1 ASP A 54 -4.283 -3.463 4.788 1.00 1.73 O ATOM 821 OD2 ASP A 54 -2.842 -2.512 6.126 1.00 2.54 O ATOM 0 H ASP A 54 -2.113 -0.573 4.505 1.00 1.11 H new ATOM 0 HA ASP A 54 -1.595 -2.087 2.045 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -2.154 -3.976 3.383 1.00 0.93 H new ATOM 0 HB3 ASP A 54 -1.107 -2.949 4.341 1.00 0.93 H new ATOM 826 N GLY A 55 -4.044 -2.809 1.423 1.00 1.07 N ATOM 827 CA GLY A 55 -5.428 -2.945 0.949 1.00 1.07 C ATOM 828 C GLY A 55 -5.673 -4.034 -0.097 1.00 0.91 C ATOM 829 O GLY A 55 -4.770 -4.790 -0.464 1.00 0.90 O ATOM 0 H GLY A 55 -3.403 -3.514 1.060 1.00 1.07 H new ATOM 0 HA2 GLY A 55 -6.068 -3.144 1.809 1.00 1.07 H new ATOM 0 HA3 GLY A 55 -5.744 -1.989 0.531 1.00 1.07 H new ATOM 833 N ARG A 56 -6.917 -4.085 -0.588 1.00 0.93 N ATOM 834 CA ARG A 56 -7.396 -5.026 -1.616 1.00 1.01 C ATOM 835 C ARG A 56 -7.568 -4.329 -2.972 1.00 0.93 C ATOM 836 O ARG A 56 -7.962 -3.168 -3.031 1.00 0.90 O ATOM 837 CB ARG A 56 -8.675 -5.710 -1.098 1.00 1.28 C ATOM 838 CG ARG A 56 -9.030 -7.007 -1.838 1.00 1.43 C ATOM 839 CD ARG A 56 -10.266 -7.671 -1.212 1.00 1.70 C ATOM 840 NE ARG A 56 -11.522 -6.978 -1.570 1.00 1.90 N ATOM 841 CZ ARG A 56 -12.240 -7.160 -2.667 1.00 2.51 C ATOM 842 NH1 ARG A 56 -11.910 -8.015 -3.590 1.00 3.04 N ATOM 843 NH2 ARG A 56 -13.326 -6.480 -2.873 1.00 3.72 N ATOM 0 H ARG A 56 -7.648 -3.449 -0.270 1.00 0.93 H new ATOM 0 HA ARG A 56 -6.655 -5.805 -1.796 1.00 1.01 H new ATOM 0 HB2 ARG A 56 -8.554 -5.930 -0.037 1.00 1.28 H new ATOM 0 HB3 ARG A 56 -9.509 -5.013 -1.186 1.00 1.28 H new ATOM 0 HG2 ARG A 56 -9.221 -6.791 -2.889 1.00 1.43 H new ATOM 0 HG3 ARG A 56 -8.185 -7.694 -1.802 1.00 1.43 H new ATOM 0 HD2 ARG A 56 -10.322 -8.709 -1.539 1.00 1.70 H new ATOM 0 HD3 ARG A 56 -10.158 -7.684 -0.127 1.00 1.70 H new ATOM 0 HE ARG A 56 -11.871 -6.289 -0.903 1.00 1.90 H new ATOM 0 HH11 ARG A 56 -11.067 -8.579 -3.485 1.00 3.04 H new ATOM 0 HH12 ARG A 56 -12.494 -8.121 -4.419 1.00 3.04 H new ATOM 0 HH21 ARG A 56 -13.637 -5.794 -2.185 1.00 3.72 H new ATOM 0 HH22 ARG A 56 -13.869 -6.631 -3.723 1.00 3.72 H new ATOM 857 N VAL A 57 -7.236 -5.029 -4.054 1.00 0.98 N ATOM 858 CA VAL A 57 -7.134 -4.539 -5.439 1.00 0.99 C ATOM 859 C VAL A 57 -8.356 -4.973 -6.245 1.00 0.96 C ATOM 860 O VAL A 57 -8.695 -6.156 -6.247 1.00 1.02 O ATOM 861 CB VAL A 57 -5.867 -5.100 -6.117 1.00 1.11 C ATOM 862 CG1 VAL A 57 -5.722 -4.608 -7.561 1.00 1.17 C ATOM 863 CG2 VAL A 57 -4.574 -4.742 -5.373 1.00 1.13 C ATOM 0 H VAL A 57 -7.015 -6.023 -3.989 1.00 0.98 H new ATOM 0 HA VAL A 57 -7.080 -3.451 -5.409 1.00 0.99 H new ATOM 0 HB VAL A 57 -6.004 -6.181 -6.096 1.00 1.11 H new ATOM 0 HG11 VAL A 57 -4.817 -5.028 -7.999 1.00 1.17 H new ATOM 0 HG12 VAL A 57 -6.588 -4.926 -8.142 1.00 1.17 H new ATOM 0 HG13 VAL A 57 -5.659 -3.520 -7.570 1.00 1.17 H new ATOM 0 HG21 VAL A 57 -3.721 -5.167 -5.902 1.00 1.13 H new ATOM 0 HG22 VAL A 57 -4.469 -3.658 -5.326 1.00 1.13 H new ATOM 0 HG23 VAL A 57 -4.612 -5.147 -4.362 1.00 1.13 H new ATOM 873 N ILE A 58 -8.991 -4.048 -6.970 1.00 0.88 N ATOM 874 CA ILE A 58 -10.247 -4.305 -7.714 1.00 0.89 C ATOM 875 C ILE A 58 -10.304 -3.604 -9.090 1.00 0.91 C ATOM 876 O ILE A 58 -11.378 -3.328 -9.628 1.00 0.90 O ATOM 877 CB ILE A 58 -11.451 -3.902 -6.816 1.00 0.85 C ATOM 878 CG1 ILE A 58 -11.172 -2.549 -6.119 1.00 0.82 C ATOM 879 CG2 ILE A 58 -11.754 -4.999 -5.780 1.00 0.98 C ATOM 880 CD1 ILE A 58 -12.408 -1.882 -5.513 1.00 1.00 C ATOM 0 H ILE A 58 -8.653 -3.090 -7.064 1.00 0.88 H new ATOM 0 HA ILE A 58 -10.291 -5.370 -7.941 1.00 0.89 H new ATOM 0 HB ILE A 58 -12.330 -3.789 -7.450 1.00 0.85 H new ATOM 0 HG12 ILE A 58 -10.436 -2.706 -5.331 1.00 0.82 H new ATOM 0 HG13 ILE A 58 -10.724 -1.867 -6.842 1.00 0.82 H new ATOM 0 HG21 ILE A 58 -12.600 -4.694 -5.164 1.00 0.98 H new ATOM 0 HG22 ILE A 58 -11.997 -5.929 -6.295 1.00 0.98 H new ATOM 0 HG23 ILE A 58 -10.880 -5.152 -5.146 1.00 0.98 H new ATOM 0 HD11 ILE A 58 -12.121 -0.940 -5.046 1.00 1.00 H new ATOM 0 HD12 ILE A 58 -13.139 -1.689 -6.298 1.00 1.00 H new ATOM 0 HD13 ILE A 58 -12.846 -2.541 -4.763 1.00 1.00 H new ATOM 892 N GLU A 59 -9.144 -3.418 -9.718 1.00 1.00 N ATOM 893 CA GLU A 59 -8.922 -3.004 -11.114 1.00 1.14 C ATOM 894 C GLU A 59 -7.421 -3.168 -11.404 1.00 1.32 C ATOM 895 O GLU A 59 -6.613 -2.877 -10.517 1.00 1.43 O ATOM 896 CB GLU A 59 -9.275 -1.515 -11.310 1.00 1.13 C ATOM 897 CG GLU A 59 -9.284 -0.989 -12.754 1.00 1.50 C ATOM 898 CD GLU A 59 -10.617 -1.202 -13.476 1.00 1.64 C ATOM 899 OE1 GLU A 59 -10.859 -2.317 -13.997 1.00 3.15 O ATOM 900 OE2 GLU A 59 -11.397 -0.226 -13.600 1.00 2.00 O ATOM 0 H GLU A 59 -8.260 -3.563 -9.230 1.00 1.00 H new ATOM 0 HA GLU A 59 -9.545 -3.607 -11.774 1.00 1.14 H new ATOM 0 HB2 GLU A 59 -10.261 -1.340 -10.879 1.00 1.13 H new ATOM 0 HB3 GLU A 59 -8.565 -0.919 -10.736 1.00 1.13 H new ATOM 0 HG2 GLU A 59 -9.051 0.076 -12.745 1.00 1.50 H new ATOM 0 HG3 GLU A 59 -8.492 -1.484 -13.317 1.00 1.50 H new ATOM 907 N GLY A 60 -7.034 -3.553 -12.621 1.00 1.36 N ATOM 908 CA GLY A 60 -5.641 -3.483 -13.071 1.00 1.48 C ATOM 909 C GLY A 60 -4.764 -4.704 -12.780 1.00 1.51 C ATOM 910 O GLY A 60 -5.198 -5.696 -12.196 1.00 1.53 O ATOM 0 H GLY A 60 -7.676 -3.922 -13.323 1.00 1.36 H new ATOM 0 HA2 GLY A 60 -5.639 -3.311 -14.147 1.00 1.48 H new ATOM 0 HA3 GLY A 60 -5.177 -2.612 -12.608 1.00 1.48 H new ATOM 914 N HIS A 61 -3.503 -4.605 -13.213 1.00 1.55 N ATOM 915 CA HIS A 61 -2.583 -5.753 -13.301 1.00 1.54 C ATOM 916 C HIS A 61 -1.078 -5.425 -13.161 1.00 1.72 C ATOM 917 O HIS A 61 -0.233 -5.965 -13.881 1.00 2.98 O ATOM 918 CB HIS A 61 -2.902 -6.519 -14.600 1.00 1.43 C ATOM 919 CG HIS A 61 -2.797 -5.678 -15.850 1.00 1.44 C ATOM 920 ND1 HIS A 61 -3.837 -5.041 -16.493 1.00 1.82 N ATOM 921 CD2 HIS A 61 -1.661 -5.427 -16.572 1.00 2.13 C ATOM 922 CE1 HIS A 61 -3.344 -4.429 -17.581 1.00 1.89 C ATOM 923 NE2 HIS A 61 -2.020 -4.652 -17.683 1.00 2.08 N ATOM 0 H HIS A 61 -3.086 -3.724 -13.515 1.00 1.55 H new ATOM 0 HA HIS A 61 -2.762 -6.377 -12.426 1.00 1.54 H new ATOM 0 HB2 HIS A 61 -2.222 -7.366 -14.686 1.00 1.43 H new ATOM 0 HB3 HIS A 61 -3.911 -6.926 -14.532 1.00 1.43 H new ATOM 0 HD2 HIS A 61 -0.665 -5.766 -16.328 1.00 2.13 H new ATOM 0 HE1 HIS A 61 -3.926 -3.842 -18.276 1.00 1.89 H new ATOM 0 HE2 HIS A 61 -1.400 -4.322 -18.423 1.00 2.08 H new ATOM 931 N SER A 62 -0.708 -4.540 -12.231 1.00 0.92 N ATOM 932 CA SER A 62 0.696 -4.140 -12.046 1.00 0.88 C ATOM 933 C SER A 62 1.532 -5.196 -11.331 1.00 0.95 C ATOM 934 O SER A 62 1.018 -6.021 -10.572 1.00 1.20 O ATOM 935 CB SER A 62 0.816 -2.808 -11.299 1.00 0.84 C ATOM 936 OG SER A 62 0.922 -1.733 -12.194 1.00 1.08 O ATOM 0 H SER A 62 -1.360 -4.085 -11.592 1.00 0.92 H new ATOM 0 HA SER A 62 1.094 -4.025 -13.054 1.00 0.88 H new ATOM 0 HB2 SER A 62 -0.055 -2.667 -10.659 1.00 0.84 H new ATOM 0 HB3 SER A 62 1.690 -2.830 -10.648 1.00 0.84 H new ATOM 0 HG SER A 62 1.449 -1.016 -11.783 1.00 1.08 H new ATOM 942 N MET A 63 2.847 -5.141 -11.552 1.00 0.79 N ATOM 943 CA MET A 63 3.823 -5.913 -10.791 1.00 0.83 C ATOM 944 C MET A 63 4.394 -5.031 -9.676 1.00 0.75 C ATOM 945 O MET A 63 4.854 -3.911 -9.922 1.00 0.77 O ATOM 946 CB MET A 63 4.894 -6.472 -11.727 1.00 0.94 C ATOM 947 CG MET A 63 5.891 -7.332 -10.943 1.00 1.08 C ATOM 948 SD MET A 63 6.945 -8.383 -11.972 1.00 1.31 S ATOM 949 CE MET A 63 5.767 -9.720 -12.296 1.00 1.26 C ATOM 0 H MET A 63 3.265 -4.552 -12.272 1.00 0.79 H new ATOM 0 HA MET A 63 3.352 -6.774 -10.317 1.00 0.83 H new ATOM 0 HB2 MET A 63 4.426 -7.069 -12.510 1.00 0.94 H new ATOM 0 HB3 MET A 63 5.419 -5.654 -12.220 1.00 0.94 H new ATOM 0 HG2 MET A 63 6.525 -6.677 -10.345 1.00 1.08 H new ATOM 0 HG3 MET A 63 5.339 -7.963 -10.247 1.00 1.08 H new ATOM 0 HE1 MET A 63 6.249 -10.493 -12.894 1.00 1.26 H new ATOM 0 HE2 MET A 63 5.433 -10.148 -11.351 1.00 1.26 H new ATOM 0 HE3 MET A 63 4.908 -9.325 -12.838 1.00 1.26 H new ATOM 959 N VAL A 64 4.343 -5.532 -8.445 1.00 0.77 N ATOM 960 CA VAL A 64 4.646 -4.777 -7.227 1.00 0.74 C ATOM 961 C VAL A 64 5.916 -5.309 -6.564 1.00 0.82 C ATOM 962 O VAL A 64 6.050 -6.511 -6.330 1.00 1.05 O ATOM 963 CB VAL A 64 3.433 -4.771 -6.278 1.00 0.80 C ATOM 964 CG1 VAL A 64 3.733 -3.999 -4.993 1.00 0.87 C ATOM 965 CG2 VAL A 64 2.213 -4.108 -6.939 1.00 0.70 C ATOM 0 H VAL A 64 4.083 -6.501 -8.259 1.00 0.77 H new ATOM 0 HA VAL A 64 4.844 -3.738 -7.491 1.00 0.74 H new ATOM 0 HB VAL A 64 3.220 -5.815 -6.048 1.00 0.80 H new ATOM 0 HG11 VAL A 64 2.856 -4.015 -4.346 1.00 0.87 H new ATOM 0 HG12 VAL A 64 4.573 -4.464 -4.477 1.00 0.87 H new ATOM 0 HG13 VAL A 64 3.984 -2.967 -5.239 1.00 0.87 H new ATOM 0 HG21 VAL A 64 1.373 -4.119 -6.245 1.00 0.70 H new ATOM 0 HG22 VAL A 64 2.455 -3.078 -7.199 1.00 0.70 H new ATOM 0 HG23 VAL A 64 1.945 -4.657 -7.842 1.00 0.70 H new ATOM 975 N ASP A 65 6.855 -4.413 -6.253 1.00 0.73 N ATOM 976 CA ASP A 65 8.115 -4.758 -5.591 1.00 0.81 C ATOM 977 C ASP A 65 7.978 -4.644 -4.066 1.00 0.98 C ATOM 978 O ASP A 65 7.948 -3.541 -3.512 1.00 1.11 O ATOM 979 CB ASP A 65 9.257 -3.885 -6.133 1.00 0.80 C ATOM 980 CG ASP A 65 10.583 -4.257 -5.468 1.00 0.88 C ATOM 981 OD1 ASP A 65 10.854 -5.461 -5.284 1.00 1.54 O ATOM 982 OD2 ASP A 65 11.365 -3.362 -5.066 1.00 2.25 O ATOM 0 H ASP A 65 6.761 -3.418 -6.456 1.00 0.73 H new ATOM 0 HA ASP A 65 8.359 -5.797 -5.814 1.00 0.81 H new ATOM 0 HB2 ASP A 65 9.338 -4.012 -7.213 1.00 0.80 H new ATOM 0 HB3 ASP A 65 9.035 -2.833 -5.951 1.00 0.80 H new ATOM 987 N GLU A 66 7.904 -5.796 -3.399 1.00 1.05 N ATOM 988 CA GLU A 66 7.721 -5.967 -1.948 1.00 1.21 C ATOM 989 C GLU A 66 8.913 -6.686 -1.268 1.00 1.15 C ATOM 990 O GLU A 66 8.777 -7.276 -0.193 1.00 1.16 O ATOM 991 CB GLU A 66 6.335 -6.593 -1.660 1.00 1.42 C ATOM 992 CG GLU A 66 5.972 -7.856 -2.465 1.00 1.30 C ATOM 993 CD GLU A 66 4.612 -8.438 -2.033 1.00 1.30 C ATOM 994 OE1 GLU A 66 3.548 -7.867 -2.391 1.00 2.08 O ATOM 995 OE2 GLU A 66 4.597 -9.468 -1.319 1.00 2.41 O ATOM 0 H GLU A 66 7.974 -6.692 -3.882 1.00 1.05 H new ATOM 0 HA GLU A 66 7.723 -4.984 -1.477 1.00 1.21 H new ATOM 0 HB2 GLU A 66 6.285 -6.838 -0.599 1.00 1.42 H new ATOM 0 HB3 GLU A 66 5.573 -5.837 -1.849 1.00 1.42 H new ATOM 0 HG2 GLU A 66 5.943 -7.614 -3.527 1.00 1.30 H new ATOM 0 HG3 GLU A 66 6.749 -8.609 -2.330 1.00 1.30 H new ATOM 1002 N SER A 67 10.098 -6.625 -1.890 1.00 1.18 N ATOM 1003 CA SER A 67 11.288 -7.411 -1.525 1.00 1.18 C ATOM 1004 C SER A 67 11.890 -7.145 -0.140 1.00 1.30 C ATOM 1005 O SER A 67 12.622 -8.005 0.355 1.00 1.43 O ATOM 1006 CB SER A 67 12.363 -7.249 -2.603 1.00 1.21 C ATOM 1007 OG SER A 67 12.848 -5.918 -2.653 1.00 1.68 O ATOM 0 H SER A 67 10.262 -6.009 -2.686 1.00 1.18 H new ATOM 0 HA SER A 67 10.927 -8.437 -1.463 1.00 1.18 H new ATOM 0 HB2 SER A 67 13.189 -7.931 -2.401 1.00 1.21 H new ATOM 0 HB3 SER A 67 11.951 -7.525 -3.574 1.00 1.21 H new ATOM 0 HG SER A 67 13.534 -5.846 -3.349 1.00 1.68 H new ATOM 1013 N LEU A 68 11.586 -6.012 0.505 1.00 1.35 N ATOM 1014 CA LEU A 68 11.909 -5.745 1.916 1.00 1.40 C ATOM 1015 C LEU A 68 10.766 -6.244 2.819 1.00 1.38 C ATOM 1016 O LEU A 68 11.007 -6.980 3.777 1.00 1.38 O ATOM 1017 CB LEU A 68 12.212 -4.233 2.055 1.00 1.42 C ATOM 1018 CG LEU A 68 12.573 -3.633 3.433 1.00 1.35 C ATOM 1019 CD1 LEU A 68 11.383 -3.525 4.390 1.00 1.36 C ATOM 1020 CD2 LEU A 68 13.706 -4.363 4.151 1.00 1.25 C ATOM 0 H LEU A 68 11.099 -5.238 0.053 1.00 1.35 H new ATOM 0 HA LEU A 68 12.795 -6.290 2.243 1.00 1.40 H new ATOM 0 HB2 LEU A 68 13.036 -4.006 1.378 1.00 1.42 H new ATOM 0 HB3 LEU A 68 11.339 -3.694 1.687 1.00 1.42 H new ATOM 0 HG LEU A 68 12.912 -2.630 3.176 1.00 1.35 H new ATOM 0 HD11 LEU A 68 11.714 -3.095 5.335 1.00 1.36 H new ATOM 0 HD12 LEU A 68 10.618 -2.886 3.949 1.00 1.36 H new ATOM 0 HD13 LEU A 68 10.968 -4.517 4.568 1.00 1.36 H new ATOM 0 HD21 LEU A 68 13.899 -3.882 5.110 1.00 1.25 H new ATOM 0 HD22 LEU A 68 13.421 -5.402 4.318 1.00 1.25 H new ATOM 0 HD23 LEU A 68 14.607 -4.327 3.539 1.00 1.25 H new ATOM 1032 N ILE A 69 9.523 -5.878 2.476 1.00 1.47 N ATOM 1033 CA ILE A 69 8.318 -6.122 3.291 1.00 1.51 C ATOM 1034 C ILE A 69 8.065 -7.622 3.496 1.00 1.54 C ATOM 1035 O ILE A 69 8.019 -8.088 4.635 1.00 1.64 O ATOM 1036 CB ILE A 69 7.067 -5.435 2.683 1.00 1.50 C ATOM 1037 CG1 ILE A 69 7.222 -3.912 2.462 1.00 1.54 C ATOM 1038 CG2 ILE A 69 5.832 -5.717 3.564 1.00 1.42 C ATOM 1039 CD1 ILE A 69 7.254 -3.068 3.742 1.00 1.42 C ATOM 0 H ILE A 69 9.319 -5.392 1.603 1.00 1.47 H new ATOM 0 HA ILE A 69 8.504 -5.677 4.269 1.00 1.51 H new ATOM 0 HB ILE A 69 6.939 -5.869 1.691 1.00 1.50 H new ATOM 0 HG12 ILE A 69 8.142 -3.733 1.905 1.00 1.54 H new ATOM 0 HG13 ILE A 69 6.398 -3.566 1.838 1.00 1.54 H new ATOM 0 HG21 ILE A 69 4.958 -5.231 3.131 1.00 1.42 H new ATOM 0 HG22 ILE A 69 5.661 -6.792 3.617 1.00 1.42 H new ATOM 0 HG23 ILE A 69 6.004 -5.327 4.567 1.00 1.42 H new ATOM 0 HD11 ILE A 69 7.365 -2.016 3.481 1.00 1.42 H new ATOM 0 HD12 ILE A 69 6.325 -3.209 4.294 1.00 1.42 H new ATOM 0 HD13 ILE A 69 8.095 -3.379 4.362 1.00 1.42 H new ATOM 1051 N THR A 70 7.911 -8.385 2.411 1.00 1.47 N ATOM 1052 CA THR A 70 7.613 -9.832 2.446 1.00 1.53 C ATOM 1053 C THR A 70 8.835 -10.693 2.125 1.00 1.53 C ATOM 1054 O THR A 70 8.841 -11.900 2.382 1.00 1.66 O ATOM 1055 CB THR A 70 6.452 -10.175 1.500 1.00 1.44 C ATOM 1056 OG1 THR A 70 6.806 -9.839 0.181 1.00 1.42 O ATOM 1057 CG2 THR A 70 5.186 -9.402 1.869 1.00 1.75 C ATOM 0 H THR A 70 7.990 -8.015 1.464 1.00 1.47 H new ATOM 0 HA THR A 70 7.318 -10.064 3.469 1.00 1.53 H new ATOM 0 HB THR A 70 6.254 -11.243 1.589 1.00 1.44 H new ATOM 0 HG1 THR A 70 6.015 -9.896 -0.395 1.00 1.42 H new ATOM 0 HG21 THR A 70 4.384 -9.668 1.180 1.00 1.75 H new ATOM 0 HG22 THR A 70 4.889 -9.655 2.887 1.00 1.75 H new ATOM 0 HG23 THR A 70 5.381 -8.332 1.803 1.00 1.75 H new ATOM 1065 N GLY A 71 9.910 -10.084 1.618 1.00 1.47 N ATOM 1066 CA GLY A 71 11.171 -10.757 1.294 1.00 1.49 C ATOM 1067 C GLY A 71 11.245 -11.331 -0.123 1.00 1.49 C ATOM 1068 O GLY A 71 12.298 -11.853 -0.491 1.00 1.79 O ATOM 0 H GLY A 71 9.928 -9.084 1.416 1.00 1.47 H new ATOM 0 HA2 GLY A 71 11.989 -10.049 1.428 1.00 1.49 H new ATOM 0 HA3 GLY A 71 11.329 -11.566 2.008 1.00 1.49 H new ATOM 1072 N GLU A 72 10.166 -11.234 -0.911 1.00 1.27 N ATOM 1073 CA GLU A 72 10.096 -11.724 -2.295 1.00 1.29 C ATOM 1074 C GLU A 72 11.083 -10.959 -3.193 1.00 1.61 C ATOM 1075 O GLU A 72 10.825 -9.824 -3.589 1.00 3.13 O ATOM 1076 CB GLU A 72 8.664 -11.562 -2.849 1.00 1.18 C ATOM 1077 CG GLU A 72 7.582 -12.396 -2.152 1.00 1.08 C ATOM 1078 CD GLU A 72 7.727 -13.896 -2.414 1.00 1.29 C ATOM 1079 OE1 GLU A 72 7.348 -14.383 -3.511 1.00 1.82 O ATOM 1080 OE2 GLU A 72 8.209 -14.625 -1.517 1.00 2.33 O ATOM 0 H GLU A 72 9.297 -10.803 -0.597 1.00 1.27 H new ATOM 0 HA GLU A 72 10.365 -12.780 -2.294 1.00 1.29 H new ATOM 0 HB2 GLU A 72 8.385 -10.510 -2.782 1.00 1.18 H new ATOM 0 HB3 GLU A 72 8.672 -11.823 -3.907 1.00 1.18 H new ATOM 0 HG2 GLU A 72 7.625 -12.214 -1.078 1.00 1.08 H new ATOM 0 HG3 GLU A 72 6.600 -12.066 -2.492 1.00 1.08 H new ATOM 1087 N ALA A 73 12.220 -11.565 -3.546 1.00 1.19 N ATOM 1088 CA ALA A 73 13.228 -10.922 -4.394 1.00 1.22 C ATOM 1089 C ALA A 73 12.763 -10.835 -5.860 1.00 1.06 C ATOM 1090 O ALA A 73 13.297 -10.049 -6.647 1.00 1.62 O ATOM 1091 CB ALA A 73 14.544 -11.697 -4.252 1.00 1.57 C ATOM 0 H ALA A 73 12.467 -12.510 -3.254 1.00 1.19 H new ATOM 0 HA ALA A 73 13.381 -9.893 -4.069 1.00 1.22 H new ATOM 0 HB1 ALA A 73 15.308 -11.234 -4.876 1.00 1.57 H new ATOM 0 HB2 ALA A 73 14.866 -11.679 -3.211 1.00 1.57 H new ATOM 0 HB3 ALA A 73 14.394 -12.729 -4.568 1.00 1.57 H new ATOM 1097 N MET A 74 11.754 -11.637 -6.202 1.00 0.87 N ATOM 1098 CA MET A 74 11.087 -11.741 -7.491 1.00 0.79 C ATOM 1099 C MET A 74 9.716 -11.041 -7.375 1.00 0.74 C ATOM 1100 O MET A 74 8.818 -11.606 -6.738 1.00 0.97 O ATOM 1101 CB MET A 74 10.966 -13.238 -7.825 1.00 1.00 C ATOM 1102 CG MET A 74 12.190 -13.786 -8.575 1.00 2.34 C ATOM 1103 SD MET A 74 13.791 -13.695 -7.713 1.00 4.20 S ATOM 1104 CE MET A 74 14.838 -14.473 -8.971 1.00 5.12 C ATOM 0 H MET A 74 11.352 -12.283 -5.523 1.00 0.87 H new ATOM 0 HA MET A 74 11.638 -11.256 -8.297 1.00 0.79 H new ATOM 0 HB2 MET A 74 10.830 -13.801 -6.902 1.00 1.00 H new ATOM 0 HB3 MET A 74 10.074 -13.399 -8.430 1.00 1.00 H new ATOM 0 HG2 MET A 74 11.997 -14.830 -8.823 1.00 2.34 H new ATOM 0 HG3 MET A 74 12.281 -13.246 -9.517 1.00 2.34 H new ATOM 0 HE1 MET A 74 15.868 -14.507 -8.617 1.00 5.12 H new ATOM 0 HE2 MET A 74 14.486 -15.487 -9.161 1.00 5.12 H new ATOM 0 HE3 MET A 74 14.790 -13.894 -9.893 1.00 5.12 H new ATOM 1114 N PRO A 75 9.554 -9.815 -7.924 1.00 0.94 N ATOM 1115 CA PRO A 75 8.373 -8.974 -7.704 1.00 1.16 C ATOM 1116 C PRO A 75 7.043 -9.653 -8.057 1.00 1.05 C ATOM 1117 O PRO A 75 6.961 -10.464 -8.983 1.00 0.99 O ATOM 1118 CB PRO A 75 8.618 -7.694 -8.506 1.00 1.54 C ATOM 1119 CG PRO A 75 10.137 -7.570 -8.477 1.00 2.35 C ATOM 1120 CD PRO A 75 10.569 -9.027 -8.618 1.00 1.42 C ATOM 0 HA PRO A 75 8.257 -8.763 -6.641 1.00 1.16 H new ATOM 0 HB2 PRO A 75 8.237 -7.774 -9.524 1.00 1.54 H new ATOM 0 HB3 PRO A 75 8.132 -6.831 -8.051 1.00 1.54 H new ATOM 0 HG2 PRO A 75 10.513 -6.951 -9.292 1.00 2.35 H new ATOM 0 HG3 PRO A 75 10.494 -7.125 -7.548 1.00 2.35 H new ATOM 0 HD2 PRO A 75 10.637 -9.314 -9.667 1.00 1.42 H new ATOM 0 HD3 PRO A 75 11.554 -9.186 -8.180 1.00 1.42 H new ATOM 1128 N VAL A 76 5.995 -9.301 -7.311 1.00 1.23 N ATOM 1129 CA VAL A 76 4.702 -10.001 -7.299 1.00 1.19 C ATOM 1130 C VAL A 76 3.702 -9.370 -8.267 1.00 1.07 C ATOM 1131 O VAL A 76 3.386 -8.185 -8.154 1.00 1.03 O ATOM 1132 CB VAL A 76 4.144 -10.037 -5.860 1.00 1.19 C ATOM 1133 CG1 VAL A 76 2.792 -10.754 -5.794 1.00 1.21 C ATOM 1134 CG2 VAL A 76 5.097 -10.769 -4.903 1.00 1.24 C ATOM 0 H VAL A 76 6.019 -8.500 -6.680 1.00 1.23 H new ATOM 0 HA VAL A 76 4.863 -11.023 -7.642 1.00 1.19 H new ATOM 0 HB VAL A 76 4.032 -8.995 -5.559 1.00 1.19 H new ATOM 0 HG11 VAL A 76 2.432 -10.759 -4.765 1.00 1.21 H new ATOM 0 HG12 VAL A 76 2.073 -10.234 -6.427 1.00 1.21 H new ATOM 0 HG13 VAL A 76 2.907 -11.780 -6.143 1.00 1.21 H new ATOM 0 HG21 VAL A 76 4.671 -10.775 -3.900 1.00 1.24 H new ATOM 0 HG22 VAL A 76 5.237 -11.795 -5.243 1.00 1.24 H new ATOM 0 HG23 VAL A 76 6.059 -10.258 -4.886 1.00 1.24 H new ATOM 1144 N ALA A 77 3.139 -10.162 -9.182 1.00 1.08 N ATOM 1145 CA ALA A 77 2.078 -9.706 -10.081 1.00 1.03 C ATOM 1146 C ALA A 77 0.711 -9.659 -9.372 1.00 1.00 C ATOM 1147 O ALA A 77 0.377 -10.534 -8.564 1.00 1.11 O ATOM 1148 CB ALA A 77 2.040 -10.597 -11.327 1.00 1.13 C ATOM 0 H ALA A 77 3.406 -11.137 -9.320 1.00 1.08 H new ATOM 0 HA ALA A 77 2.300 -8.685 -10.390 1.00 1.03 H new ATOM 0 HB1 ALA A 77 1.249 -10.255 -11.995 1.00 1.13 H new ATOM 0 HB2 ALA A 77 2.999 -10.543 -11.843 1.00 1.13 H new ATOM 0 HB3 ALA A 77 1.845 -11.628 -11.031 1.00 1.13 H new ATOM 1154 N LYS A 78 -0.074 -8.624 -9.693 1.00 0.91 N ATOM 1155 CA LYS A 78 -1.422 -8.368 -9.160 1.00 0.94 C ATOM 1156 C LYS A 78 -2.492 -8.458 -10.263 1.00 1.16 C ATOM 1157 O LYS A 78 -2.186 -8.545 -11.455 1.00 1.54 O ATOM 1158 CB LYS A 78 -1.442 -7.006 -8.428 1.00 0.76 C ATOM 1159 CG LYS A 78 -0.321 -6.793 -7.387 1.00 0.64 C ATOM 1160 CD LYS A 78 -0.381 -7.736 -6.177 1.00 0.78 C ATOM 1161 CE LYS A 78 0.872 -7.570 -5.300 1.00 0.81 C ATOM 1162 NZ LYS A 78 0.762 -8.336 -4.036 1.00 1.05 N ATOM 0 H LYS A 78 0.223 -7.911 -10.359 1.00 0.91 H new ATOM 0 HA LYS A 78 -1.671 -9.144 -8.436 1.00 0.94 H new ATOM 0 HB2 LYS A 78 -1.378 -6.212 -9.172 1.00 0.76 H new ATOM 0 HB3 LYS A 78 -2.404 -6.897 -7.927 1.00 0.76 H new ATOM 0 HG2 LYS A 78 0.643 -6.918 -7.880 1.00 0.64 H new ATOM 0 HG3 LYS A 78 -0.365 -5.764 -7.031 1.00 0.64 H new ATOM 0 HD2 LYS A 78 -1.274 -7.525 -5.589 1.00 0.78 H new ATOM 0 HD3 LYS A 78 -0.460 -8.769 -6.517 1.00 0.78 H new ATOM 0 HE2 LYS A 78 1.750 -7.904 -5.853 1.00 0.81 H new ATOM 0 HE3 LYS A 78 1.021 -6.514 -5.074 1.00 0.81 H new ATOM 0 HZ1 LYS A 78 1.638 -8.227 -3.487 1.00 1.05 H new ATOM 0 HZ2 LYS A 78 -0.041 -7.977 -3.481 1.00 1.05 H new ATOM 0 HZ3 LYS A 78 0.611 -9.342 -4.252 1.00 1.05 H new ATOM 1176 N LYS A 79 -3.755 -8.456 -9.834 1.00 1.10 N ATOM 1177 CA LYS A 79 -4.985 -8.577 -10.644 1.00 1.28 C ATOM 1178 C LYS A 79 -6.193 -7.978 -9.895 1.00 1.13 C ATOM 1179 O LYS A 79 -6.064 -7.722 -8.695 1.00 1.03 O ATOM 1180 CB LYS A 79 -5.220 -10.076 -10.946 1.00 1.65 C ATOM 1181 CG LYS A 79 -5.335 -10.949 -9.681 1.00 3.04 C ATOM 1182 CD LYS A 79 -5.906 -12.340 -9.961 1.00 3.46 C ATOM 1183 CE LYS A 79 -5.063 -13.143 -10.956 1.00 3.42 C ATOM 1184 NZ LYS A 79 -5.568 -14.527 -11.072 1.00 3.89 N ATOM 0 H LYS A 79 -3.969 -8.364 -8.841 1.00 1.10 H new ATOM 0 HA LYS A 79 -4.871 -8.023 -11.576 1.00 1.28 H new ATOM 0 HB2 LYS A 79 -6.132 -10.181 -11.534 1.00 1.65 H new ATOM 0 HB3 LYS A 79 -4.400 -10.447 -11.560 1.00 1.65 H new ATOM 0 HG2 LYS A 79 -4.349 -11.052 -9.227 1.00 3.04 H new ATOM 0 HG3 LYS A 79 -5.969 -10.442 -8.954 1.00 3.04 H new ATOM 0 HD2 LYS A 79 -5.977 -12.893 -9.024 1.00 3.46 H new ATOM 0 HD3 LYS A 79 -6.919 -12.239 -10.350 1.00 3.46 H new ATOM 0 HE2 LYS A 79 -5.086 -12.659 -11.933 1.00 3.42 H new ATOM 0 HE3 LYS A 79 -4.023 -13.156 -10.631 1.00 3.42 H new ATOM 0 HZ1 LYS A 79 -4.983 -15.054 -11.751 1.00 3.89 H new ATOM 0 HZ2 LYS A 79 -5.524 -14.992 -10.143 1.00 3.89 H new ATOM 0 HZ3 LYS A 79 -6.553 -14.510 -11.404 1.00 3.89 H new ATOM 1198 N PRO A 80 -7.376 -7.780 -10.512 1.00 1.16 N ATOM 1199 CA PRO A 80 -8.589 -7.519 -9.737 1.00 1.13 C ATOM 1200 C PRO A 80 -8.887 -8.758 -8.866 1.00 1.16 C ATOM 1201 O PRO A 80 -8.794 -9.895 -9.339 1.00 1.28 O ATOM 1202 CB PRO A 80 -9.686 -7.227 -10.766 1.00 1.18 C ATOM 1203 CG PRO A 80 -9.204 -7.961 -12.019 1.00 1.35 C ATOM 1204 CD PRO A 80 -7.683 -7.823 -11.936 1.00 1.29 C ATOM 0 HA PRO A 80 -8.504 -6.673 -9.055 1.00 1.13 H new ATOM 0 HB2 PRO A 80 -10.657 -7.595 -10.433 1.00 1.18 H new ATOM 0 HB3 PRO A 80 -9.795 -6.157 -10.944 1.00 1.18 H new ATOM 0 HG2 PRO A 80 -9.515 -9.006 -12.019 1.00 1.35 H new ATOM 0 HG3 PRO A 80 -9.601 -7.510 -12.929 1.00 1.35 H new ATOM 0 HD2 PRO A 80 -7.185 -8.663 -12.420 1.00 1.29 H new ATOM 0 HD3 PRO A 80 -7.342 -6.918 -12.439 1.00 1.29 H new ATOM 1212 N GLY A 81 -9.221 -8.544 -7.593 1.00 1.12 N ATOM 1213 CA GLY A 81 -9.308 -9.595 -6.574 1.00 1.17 C ATOM 1214 C GLY A 81 -7.939 -10.002 -6.003 1.00 1.11 C ATOM 1215 O GLY A 81 -7.692 -11.195 -5.806 1.00 1.17 O ATOM 0 H GLY A 81 -9.444 -7.616 -7.232 1.00 1.12 H new ATOM 0 HA2 GLY A 81 -9.946 -9.251 -5.760 1.00 1.17 H new ATOM 0 HA3 GLY A 81 -9.789 -10.472 -7.007 1.00 1.17 H new ATOM 1219 N SER A 82 -7.034 -9.037 -5.780 1.00 1.07 N ATOM 1220 CA SER A 82 -5.664 -9.243 -5.248 1.00 0.99 C ATOM 1221 C SER A 82 -5.419 -8.389 -3.995 1.00 0.95 C ATOM 1222 O SER A 82 -6.271 -7.579 -3.635 1.00 1.17 O ATOM 1223 CB SER A 82 -4.644 -8.917 -6.346 1.00 0.88 C ATOM 1224 OG SER A 82 -3.342 -9.371 -6.050 1.00 1.95 O ATOM 0 H SER A 82 -7.236 -8.055 -5.969 1.00 1.07 H new ATOM 0 HA SER A 82 -5.551 -10.286 -4.951 1.00 0.99 H new ATOM 0 HB2 SER A 82 -4.973 -9.366 -7.283 1.00 0.88 H new ATOM 0 HB3 SER A 82 -4.619 -7.838 -6.500 1.00 0.88 H new ATOM 0 HG SER A 82 -2.990 -9.875 -6.813 1.00 1.95 H new ATOM 1230 N THR A 83 -4.282 -8.527 -3.309 1.00 0.90 N ATOM 1231 CA THR A 83 -3.962 -7.781 -2.071 1.00 0.91 C ATOM 1232 C THR A 83 -2.547 -7.188 -2.090 1.00 0.87 C ATOM 1233 O THR A 83 -1.649 -7.721 -2.743 1.00 0.86 O ATOM 1234 CB THR A 83 -4.180 -8.652 -0.816 1.00 0.99 C ATOM 1235 OG1 THR A 83 -3.724 -9.984 -0.995 1.00 0.86 O ATOM 1236 CG2 THR A 83 -5.663 -8.736 -0.448 1.00 1.27 C ATOM 0 H THR A 83 -3.541 -9.167 -3.595 1.00 0.90 H new ATOM 0 HA THR A 83 -4.657 -6.942 -2.028 1.00 0.91 H new ATOM 0 HB THR A 83 -3.607 -8.167 -0.026 1.00 0.99 H new ATOM 0 HG1 THR A 83 -3.881 -10.497 -0.175 1.00 0.86 H new ATOM 0 HG21 THR A 83 -5.783 -9.357 0.440 1.00 1.27 H new ATOM 0 HG22 THR A 83 -6.045 -7.735 -0.246 1.00 1.27 H new ATOM 0 HG23 THR A 83 -6.219 -9.176 -1.276 1.00 1.27 H new ATOM 1244 N VAL A 84 -2.347 -6.062 -1.394 1.00 0.87 N ATOM 1245 CA VAL A 84 -1.074 -5.308 -1.329 1.00 0.85 C ATOM 1246 C VAL A 84 -0.761 -4.790 0.082 1.00 0.90 C ATOM 1247 O VAL A 84 -1.654 -4.675 0.929 1.00 0.94 O ATOM 1248 CB VAL A 84 -1.046 -4.126 -2.328 1.00 0.83 C ATOM 1249 CG1 VAL A 84 -1.072 -4.595 -3.787 1.00 0.74 C ATOM 1250 CG2 VAL A 84 -2.190 -3.124 -2.122 1.00 0.94 C ATOM 0 H VAL A 84 -3.087 -5.631 -0.840 1.00 0.87 H new ATOM 0 HA VAL A 84 -0.302 -6.025 -1.607 1.00 0.85 H new ATOM 0 HB VAL A 84 -0.102 -3.622 -2.120 1.00 0.83 H new ATOM 0 HG11 VAL A 84 -1.051 -3.729 -4.448 1.00 0.74 H new ATOM 0 HG12 VAL A 84 -0.202 -5.222 -3.983 1.00 0.74 H new ATOM 0 HG13 VAL A 84 -1.981 -5.168 -3.969 1.00 0.74 H new ATOM 0 HG21 VAL A 84 -2.108 -2.322 -2.856 1.00 0.94 H new ATOM 0 HG22 VAL A 84 -3.146 -3.633 -2.245 1.00 0.94 H new ATOM 0 HG23 VAL A 84 -2.129 -2.704 -1.118 1.00 0.94 H new ATOM 1260 N ILE A 85 0.509 -4.438 0.319 1.00 0.92 N ATOM 1261 CA ILE A 85 1.034 -3.846 1.566 1.00 0.97 C ATOM 1262 C ILE A 85 1.776 -2.517 1.347 1.00 0.97 C ATOM 1263 O ILE A 85 2.402 -2.279 0.310 1.00 1.15 O ATOM 1264 CB ILE A 85 1.916 -4.832 2.384 1.00 1.04 C ATOM 1265 CG1 ILE A 85 2.648 -5.929 1.579 1.00 1.06 C ATOM 1266 CG2 ILE A 85 1.066 -5.516 3.462 1.00 1.32 C ATOM 1267 CD1 ILE A 85 3.646 -5.387 0.554 1.00 1.11 C ATOM 0 H ILE A 85 1.237 -4.562 -0.384 1.00 0.92 H new ATOM 0 HA ILE A 85 0.144 -3.627 2.157 1.00 0.97 H new ATOM 0 HB ILE A 85 2.700 -4.200 2.801 1.00 1.04 H new ATOM 0 HG12 ILE A 85 3.175 -6.584 2.273 1.00 1.06 H new ATOM 0 HG13 ILE A 85 1.908 -6.541 1.062 1.00 1.06 H new ATOM 0 HG21 ILE A 85 1.688 -6.206 4.032 1.00 1.32 H new ATOM 0 HG22 ILE A 85 0.652 -4.762 4.132 1.00 1.32 H new ATOM 0 HG23 ILE A 85 0.253 -6.067 2.989 1.00 1.32 H new ATOM 0 HD11 ILE A 85 4.118 -6.219 0.031 1.00 1.11 H new ATOM 0 HD12 ILE A 85 3.123 -4.756 -0.165 1.00 1.11 H new ATOM 0 HD13 ILE A 85 4.409 -4.800 1.065 1.00 1.11 H new ATOM 1279 N ALA A 86 1.724 -1.661 2.372 1.00 0.94 N ATOM 1280 CA ALA A 86 2.388 -0.360 2.413 1.00 0.96 C ATOM 1281 C ALA A 86 3.912 -0.457 2.211 1.00 0.92 C ATOM 1282 O ALA A 86 4.544 -1.431 2.615 1.00 0.93 O ATOM 1283 CB ALA A 86 2.077 0.299 3.761 1.00 1.06 C ATOM 0 H ALA A 86 1.200 -1.864 3.223 1.00 0.94 H new ATOM 0 HA ALA A 86 2.007 0.240 1.587 1.00 0.96 H new ATOM 0 HB1 ALA A 86 2.564 1.273 3.811 1.00 1.06 H new ATOM 0 HB2 ALA A 86 0.999 0.427 3.863 1.00 1.06 H new ATOM 0 HB3 ALA A 86 2.446 -0.333 4.569 1.00 1.06 H new ATOM 1289 N GLY A 87 4.501 0.574 1.601 1.00 0.91 N ATOM 1290 CA GLY A 87 5.944 0.664 1.354 1.00 0.91 C ATOM 1291 C GLY A 87 6.453 -0.129 0.146 1.00 0.88 C ATOM 1292 O GLY A 87 7.633 -0.021 -0.191 1.00 0.96 O ATOM 0 H GLY A 87 3.982 1.383 1.259 1.00 0.91 H new ATOM 0 HA2 GLY A 87 6.207 1.713 1.216 1.00 0.91 H new ATOM 0 HA3 GLY A 87 6.470 0.317 2.243 1.00 0.91 H new ATOM 1296 N SER A 88 5.586 -0.893 -0.527 1.00 0.83 N ATOM 1297 CA SER A 88 5.897 -1.547 -1.804 1.00 0.79 C ATOM 1298 C SER A 88 5.676 -0.604 -3.004 1.00 0.67 C ATOM 1299 O SER A 88 4.996 0.421 -2.880 1.00 0.68 O ATOM 1300 CB SER A 88 5.168 -2.893 -1.910 1.00 0.84 C ATOM 1301 OG SER A 88 3.760 -2.780 -1.987 1.00 1.34 O ATOM 0 H SER A 88 4.638 -1.077 -0.197 1.00 0.83 H new ATOM 0 HA SER A 88 6.962 -1.778 -1.833 1.00 0.79 H new ATOM 0 HB2 SER A 88 5.529 -3.421 -2.793 1.00 0.84 H new ATOM 0 HB3 SER A 88 5.427 -3.504 -1.045 1.00 0.84 H new ATOM 0 HG SER A 88 3.411 -2.446 -1.134 1.00 1.34 H new ATOM 1307 N ILE A 89 6.297 -0.921 -4.149 1.00 0.61 N ATOM 1308 CA ILE A 89 6.403 -0.023 -5.321 1.00 0.58 C ATOM 1309 C ILE A 89 5.613 -0.550 -6.530 1.00 0.56 C ATOM 1310 O ILE A 89 5.837 -1.686 -6.960 1.00 0.64 O ATOM 1311 CB ILE A 89 7.885 0.188 -5.727 1.00 0.63 C ATOM 1312 CG1 ILE A 89 8.913 0.199 -4.572 1.00 0.80 C ATOM 1313 CG2 ILE A 89 8.017 1.452 -6.595 1.00 0.70 C ATOM 1314 CD1 ILE A 89 8.766 1.328 -3.548 1.00 0.95 C ATOM 0 H ILE A 89 6.750 -1.823 -4.295 1.00 0.61 H new ATOM 0 HA ILE A 89 5.969 0.931 -5.020 1.00 0.58 H new ATOM 0 HB ILE A 89 8.148 -0.702 -6.299 1.00 0.63 H new ATOM 0 HG12 ILE A 89 8.846 -0.753 -4.045 1.00 0.80 H new ATOM 0 HG13 ILE A 89 9.912 0.255 -5.003 1.00 0.80 H new ATOM 0 HG21 ILE A 89 9.061 1.593 -6.876 1.00 0.70 H new ATOM 0 HG22 ILE A 89 7.411 1.341 -7.494 1.00 0.70 H new ATOM 0 HG23 ILE A 89 7.673 2.319 -6.030 1.00 0.70 H new ATOM 0 HD11 ILE A 89 9.541 1.232 -2.787 1.00 0.95 H new ATOM 0 HD12 ILE A 89 8.868 2.290 -4.050 1.00 0.95 H new ATOM 0 HD13 ILE A 89 7.785 1.266 -3.077 1.00 0.95 H new ATOM 1326 N ASN A 90 4.732 0.263 -7.120 1.00 0.57 N ATOM 1327 CA ASN A 90 3.875 -0.098 -8.257 1.00 0.63 C ATOM 1328 C ASN A 90 4.490 0.281 -9.624 1.00 0.84 C ATOM 1329 O ASN A 90 5.094 1.341 -9.754 1.00 0.97 O ATOM 1330 CB ASN A 90 2.515 0.592 -8.046 1.00 0.73 C ATOM 1331 CG ASN A 90 1.492 0.113 -9.033 1.00 0.96 C ATOM 1332 OD1 ASN A 90 0.968 -0.979 -8.917 1.00 1.91 O ATOM 1333 ND2 ASN A 90 1.212 0.878 -10.050 1.00 0.42 N ATOM 0 H ASN A 90 4.590 1.224 -6.810 1.00 0.57 H new ATOM 0 HA ASN A 90 3.762 -1.182 -8.288 1.00 0.63 H new ATOM 0 HB2 ASN A 90 2.162 0.399 -7.033 1.00 0.73 H new ATOM 0 HB3 ASN A 90 2.636 1.671 -8.141 1.00 0.73 H new ATOM 0 HD21 ASN A 90 0.548 0.563 -10.758 1.00 0.42 H new ATOM 0 HD22 ASN A 90 1.656 1.792 -10.138 1.00 0.42 H new ATOM 1340 N GLN A 91 4.290 -0.530 -10.671 1.00 1.00 N ATOM 1341 CA GLN A 91 4.751 -0.263 -12.042 1.00 1.31 C ATOM 1342 C GLN A 91 3.926 -1.051 -13.073 1.00 1.55 C ATOM 1343 O GLN A 91 3.532 -2.183 -12.783 1.00 2.99 O ATOM 1344 CB GLN A 91 6.214 -0.726 -12.171 1.00 1.48 C ATOM 1345 CG GLN A 91 7.017 -0.058 -13.297 1.00 2.08 C ATOM 1346 CD GLN A 91 7.181 1.437 -13.063 1.00 3.01 C ATOM 1347 OE1 GLN A 91 7.977 1.895 -12.252 1.00 3.60 O ATOM 1348 NE2 GLN A 91 6.401 2.257 -13.719 1.00 3.86 N ATOM 0 H GLN A 91 3.789 -1.415 -10.587 1.00 1.00 H new ATOM 0 HA GLN A 91 4.644 0.805 -12.233 1.00 1.31 H new ATOM 0 HB2 GLN A 91 6.722 -0.539 -11.225 1.00 1.48 H new ATOM 0 HB3 GLN A 91 6.224 -1.804 -12.330 1.00 1.48 H new ATOM 0 HG2 GLN A 91 7.999 -0.525 -13.369 1.00 2.08 H new ATOM 0 HG3 GLN A 91 6.514 -0.224 -14.250 1.00 2.08 H new ATOM 0 HE21 GLN A 91 5.733 1.892 -14.398 1.00 3.86 H new ATOM 0 HE22 GLN A 91 6.461 3.261 -13.552 1.00 3.86 H new ATOM 1357 N ASN A 92 3.697 -0.483 -14.263 1.00 1.06 N ATOM 1358 CA ASN A 92 3.153 -1.121 -15.468 1.00 1.38 C ATOM 1359 C ASN A 92 1.913 -1.985 -15.199 1.00 2.09 C ATOM 1360 O ASN A 92 2.041 -3.186 -14.958 1.00 3.68 O ATOM 1361 CB ASN A 92 4.277 -1.888 -16.193 1.00 1.82 C ATOM 1362 CG ASN A 92 3.754 -2.623 -17.392 1.00 2.51 C ATOM 1363 OD1 ASN A 92 3.592 -3.836 -17.406 1.00 3.90 O ATOM 1364 ND2 ASN A 92 3.361 -1.910 -18.397 1.00 2.63 N ATOM 0 H ASN A 92 3.901 0.504 -14.420 1.00 1.06 H new ATOM 0 HA ASN A 92 2.787 -0.335 -16.128 1.00 1.38 H new ATOM 0 HB2 ASN A 92 5.054 -1.190 -16.503 1.00 1.82 H new ATOM 0 HB3 ASN A 92 4.740 -2.595 -15.504 1.00 1.82 H new ATOM 0 HD21 ASN A 92 2.917 -2.359 -19.198 1.00 2.63 H new ATOM 0 HD22 ASN A 92 3.495 -0.899 -18.388 1.00 2.63 H new ATOM 1371 N GLY A 93 0.719 -1.391 -15.218 1.00 1.76 N ATOM 1372 CA GLY A 93 -0.539 -2.133 -15.068 1.00 2.66 C ATOM 1373 C GLY A 93 -1.656 -1.428 -14.272 1.00 2.67 C ATOM 1374 O GLY A 93 -2.801 -1.876 -14.348 1.00 3.89 O ATOM 0 H GLY A 93 0.594 -0.386 -15.337 1.00 1.76 H new ATOM 0 HA2 GLY A 93 -0.921 -2.364 -16.062 1.00 2.66 H new ATOM 0 HA3 GLY A 93 -0.320 -3.084 -14.582 1.00 2.66 H new ATOM 1378 N SER A 94 -1.331 -0.344 -13.552 1.00 2.17 N ATOM 1379 CA SER A 94 -2.182 0.650 -12.852 1.00 1.86 C ATOM 1380 C SER A 94 -3.415 0.121 -12.106 1.00 1.62 C ATOM 1381 O SER A 94 -4.430 -0.230 -12.707 1.00 1.64 O ATOM 1382 CB SER A 94 -2.582 1.782 -13.800 1.00 2.04 C ATOM 1383 OG SER A 94 -1.430 2.537 -14.122 1.00 2.61 O ATOM 0 H SER A 94 -0.346 -0.108 -13.427 1.00 2.17 H new ATOM 0 HA SER A 94 -1.534 1.012 -12.054 1.00 1.86 H new ATOM 0 HB2 SER A 94 -3.031 1.374 -14.706 1.00 2.04 H new ATOM 0 HB3 SER A 94 -3.332 2.419 -13.331 1.00 2.04 H new ATOM 0 HG SER A 94 -1.675 3.265 -14.731 1.00 2.61 H new ATOM 1389 N LEU A 95 -3.360 0.143 -10.772 1.00 1.49 N ATOM 1390 CA LEU A 95 -4.340 -0.510 -9.894 1.00 1.41 C ATOM 1391 C LEU A 95 -5.302 0.470 -9.189 1.00 1.14 C ATOM 1392 O LEU A 95 -4.992 1.656 -9.029 1.00 0.95 O ATOM 1393 CB LEU A 95 -3.589 -1.358 -8.849 1.00 1.37 C ATOM 1394 CG LEU A 95 -2.554 -2.372 -9.337 1.00 1.61 C ATOM 1395 CD1 LEU A 95 -1.914 -3.096 -8.152 1.00 1.59 C ATOM 1396 CD2 LEU A 95 -3.192 -3.397 -10.257 1.00 1.88 C ATOM 0 H LEU A 95 -2.620 0.624 -10.260 1.00 1.49 H new ATOM 0 HA LEU A 95 -4.968 -1.135 -10.529 1.00 1.41 H new ATOM 0 HB2 LEU A 95 -3.085 -0.673 -8.167 1.00 1.37 H new ATOM 0 HB3 LEU A 95 -4.333 -1.899 -8.265 1.00 1.37 H new ATOM 0 HG LEU A 95 -1.789 -1.825 -9.887 1.00 1.61 H new ATOM 0 HD11 LEU A 95 -1.180 -3.814 -8.518 1.00 1.59 H new ATOM 0 HD12 LEU A 95 -1.421 -2.370 -7.505 1.00 1.59 H new ATOM 0 HD13 LEU A 95 -2.684 -3.621 -7.587 1.00 1.59 H new ATOM 0 HD21 LEU A 95 -2.435 -4.107 -10.591 1.00 1.88 H new ATOM 0 HD22 LEU A 95 -3.977 -3.929 -9.720 1.00 1.88 H new ATOM 0 HD23 LEU A 95 -3.622 -2.892 -11.122 1.00 1.88 H new ATOM 1408 N LEU A 96 -6.440 -0.054 -8.718 1.00 1.18 N ATOM 1409 CA LEU A 96 -7.402 0.611 -7.818 1.00 1.01 C ATOM 1410 C LEU A 96 -7.454 -0.170 -6.500 1.00 0.93 C ATOM 1411 O LEU A 96 -7.768 -1.365 -6.523 1.00 1.07 O ATOM 1412 CB LEU A 96 -8.818 0.627 -8.427 1.00 1.33 C ATOM 1413 CG LEU A 96 -9.151 1.699 -9.484 1.00 1.55 C ATOM 1414 CD1 LEU A 96 -9.546 2.989 -8.777 1.00 2.15 C ATOM 1415 CD2 LEU A 96 -8.047 2.045 -10.486 1.00 3.11 C ATOM 0 H LEU A 96 -6.733 -1.000 -8.964 1.00 1.18 H new ATOM 0 HA LEU A 96 -7.077 1.639 -7.661 1.00 1.01 H new ATOM 0 HB2 LEU A 96 -8.996 -0.349 -8.877 1.00 1.33 H new ATOM 0 HB3 LEU A 96 -9.530 0.736 -7.609 1.00 1.33 H new ATOM 0 HG LEU A 96 -9.954 1.252 -10.070 1.00 1.55 H new ATOM 0 HD11 LEU A 96 -9.783 3.752 -9.518 1.00 2.15 H new ATOM 0 HD12 LEU A 96 -10.419 2.808 -8.151 1.00 2.15 H new ATOM 0 HD13 LEU A 96 -8.719 3.331 -8.156 1.00 2.15 H new ATOM 0 HD21 LEU A 96 -8.407 2.810 -11.174 1.00 3.11 H new ATOM 0 HD22 LEU A 96 -7.174 2.419 -9.951 1.00 3.11 H new ATOM 0 HD23 LEU A 96 -7.773 1.152 -11.048 1.00 3.11 H new ATOM 1427 N ILE A 97 -7.147 0.479 -5.371 1.00 0.78 N ATOM 1428 CA ILE A 97 -7.107 -0.162 -4.047 1.00 0.76 C ATOM 1429 C ILE A 97 -8.213 0.383 -3.134 1.00 0.65 C ATOM 1430 O ILE A 97 -8.281 1.587 -2.891 1.00 0.57 O ATOM 1431 CB ILE A 97 -5.705 -0.013 -3.401 1.00 0.78 C ATOM 1432 CG1 ILE A 97 -4.620 -0.866 -4.097 1.00 1.41 C ATOM 1433 CG2 ILE A 97 -5.717 -0.456 -1.923 1.00 1.11 C ATOM 1434 CD1 ILE A 97 -4.186 -0.426 -5.498 1.00 1.36 C ATOM 0 H ILE A 97 -6.917 1.472 -5.348 1.00 0.78 H new ATOM 0 HA ILE A 97 -7.294 -1.227 -4.181 1.00 0.76 H new ATOM 0 HB ILE A 97 -5.467 1.046 -3.504 1.00 0.78 H new ATOM 0 HG12 ILE A 97 -3.738 -0.880 -3.457 1.00 1.41 H new ATOM 0 HG13 ILE A 97 -4.984 -1.891 -4.161 1.00 1.41 H new ATOM 0 HG21 ILE A 97 -4.719 -0.339 -1.500 1.00 1.11 H new ATOM 0 HG22 ILE A 97 -6.422 0.159 -1.364 1.00 1.11 H new ATOM 0 HG23 ILE A 97 -6.018 -1.502 -1.859 1.00 1.11 H new ATOM 0 HD11 ILE A 97 -3.422 -1.107 -5.873 1.00 1.36 H new ATOM 0 HD12 ILE A 97 -5.046 -0.442 -6.167 1.00 1.36 H new ATOM 0 HD13 ILE A 97 -3.781 0.585 -5.453 1.00 1.36 H new ATOM 1446 N CYS A 98 -9.042 -0.490 -2.558 1.00 0.70 N ATOM 1447 CA CYS A 98 -9.974 -0.113 -1.491 1.00 0.67 C ATOM 1448 C CYS A 98 -9.281 -0.231 -0.120 1.00 0.72 C ATOM 1449 O CYS A 98 -8.782 -1.299 0.250 1.00 0.80 O ATOM 1450 CB CYS A 98 -11.282 -0.913 -1.606 1.00 0.70 C ATOM 1451 SG CYS A 98 -10.996 -2.702 -1.546 1.00 1.61 S ATOM 0 H CYS A 98 -9.087 -1.476 -2.816 1.00 0.70 H new ATOM 0 HA CYS A 98 -10.262 0.933 -1.598 1.00 0.67 H new ATOM 0 HB2 CYS A 98 -11.954 -0.627 -0.797 1.00 0.70 H new ATOM 0 HB3 CYS A 98 -11.782 -0.657 -2.540 1.00 0.70 H new ATOM 0 HG CYS A 98 -9.785 -2.961 -1.940 1.00 1.61 H new ATOM 1457 N ALA A 99 -9.221 0.873 0.632 1.00 0.72 N ATOM 1458 CA ALA A 99 -8.518 0.932 1.914 1.00 0.77 C ATOM 1459 C ALA A 99 -9.376 0.390 3.072 1.00 0.89 C ATOM 1460 O ALA A 99 -10.515 0.823 3.255 1.00 0.96 O ATOM 1461 CB ALA A 99 -8.072 2.379 2.163 1.00 0.76 C ATOM 0 H ALA A 99 -9.661 1.754 0.366 1.00 0.72 H new ATOM 0 HA ALA A 99 -7.641 0.286 1.869 1.00 0.77 H new ATOM 0 HB1 ALA A 99 -7.546 2.439 3.116 1.00 0.76 H new ATOM 0 HB2 ALA A 99 -7.407 2.698 1.361 1.00 0.76 H new ATOM 0 HB3 ALA A 99 -8.946 3.030 2.190 1.00 0.76 H new ATOM 1467 N THR A 100 -8.807 -0.517 3.870 1.00 1.03 N ATOM 1468 CA THR A 100 -9.434 -1.143 5.058 1.00 1.22 C ATOM 1469 C THR A 100 -8.706 -0.844 6.379 1.00 1.26 C ATOM 1470 O THR A 100 -9.234 -1.116 7.457 1.00 1.44 O ATOM 1471 CB THR A 100 -9.611 -2.662 4.852 1.00 1.49 C ATOM 1472 OG1 THR A 100 -8.401 -3.327 4.551 1.00 2.35 O ATOM 1473 CG2 THR A 100 -10.550 -2.974 3.685 1.00 1.58 C ATOM 0 H THR A 100 -7.859 -0.855 3.708 1.00 1.03 H new ATOM 0 HA THR A 100 -10.417 -0.681 5.154 1.00 1.22 H new ATOM 0 HB THR A 100 -10.014 -3.012 5.802 1.00 1.49 H new ATOM 0 HG1 THR A 100 -8.574 -4.284 4.433 1.00 2.35 H new ATOM 0 HG21 THR A 100 -10.647 -4.054 3.575 1.00 1.58 H new ATOM 0 HG22 THR A 100 -11.530 -2.540 3.881 1.00 1.58 H new ATOM 0 HG23 THR A 100 -10.143 -2.551 2.767 1.00 1.58 H new ATOM 1481 N HIS A 101 -7.549 -0.181 6.315 1.00 1.14 N ATOM 1482 CA HIS A 101 -6.775 0.336 7.444 1.00 1.24 C ATOM 1483 C HIS A 101 -6.218 1.732 7.113 1.00 1.09 C ATOM 1484 O HIS A 101 -5.911 2.023 5.956 1.00 0.91 O ATOM 1485 CB HIS A 101 -5.608 -0.610 7.765 1.00 1.43 C ATOM 1486 CG HIS A 101 -5.968 -2.053 8.018 1.00 1.66 C ATOM 1487 ND1 HIS A 101 -5.392 -3.146 7.416 1.00 2.11 N ATOM 1488 CD2 HIS A 101 -6.894 -2.530 8.902 1.00 1.72 C ATOM 1489 CE1 HIS A 101 -5.966 -4.253 7.912 1.00 2.29 C ATOM 1490 NE2 HIS A 101 -6.910 -3.932 8.818 1.00 2.00 N ATOM 0 H HIS A 101 -7.102 0.021 5.421 1.00 1.14 H new ATOM 0 HA HIS A 101 -7.434 0.405 8.309 1.00 1.24 H new ATOM 0 HB2 HIS A 101 -4.901 -0.574 6.937 1.00 1.43 H new ATOM 0 HB3 HIS A 101 -5.089 -0.228 8.644 1.00 1.43 H new ATOM 0 HD2 HIS A 101 -7.510 -1.930 9.555 1.00 1.72 H new ATOM 0 HE1 HIS A 101 -5.707 -5.261 7.625 1.00 2.29 H new ATOM 0 HE2 HIS A 101 -7.511 -4.573 9.335 1.00 2.00 H new ATOM 1498 N VAL A 102 -6.068 2.589 8.128 1.00 1.28 N ATOM 1499 CA VAL A 102 -5.433 3.920 8.016 1.00 1.35 C ATOM 1500 C VAL A 102 -3.926 3.886 8.330 1.00 1.66 C ATOM 1501 O VAL A 102 -3.346 2.812 8.496 1.00 1.84 O ATOM 1502 CB VAL A 102 -6.213 4.977 8.826 1.00 1.48 C ATOM 1503 CG1 VAL A 102 -7.599 5.206 8.217 1.00 1.94 C ATOM 1504 CG2 VAL A 102 -6.368 4.623 10.310 1.00 1.56 C ATOM 0 H VAL A 102 -6.389 2.379 9.073 1.00 1.28 H new ATOM 0 HA VAL A 102 -5.490 4.228 6.972 1.00 1.35 H new ATOM 0 HB VAL A 102 -5.617 5.888 8.772 1.00 1.48 H new ATOM 0 HG11 VAL A 102 -8.134 5.954 8.802 1.00 1.94 H new ATOM 0 HG12 VAL A 102 -7.492 5.556 7.190 1.00 1.94 H new ATOM 0 HG13 VAL A 102 -8.159 4.271 8.225 1.00 1.94 H new ATOM 0 HG21 VAL A 102 -6.926 5.411 10.816 1.00 1.56 H new ATOM 0 HG22 VAL A 102 -6.905 3.679 10.405 1.00 1.56 H new ATOM 0 HG23 VAL A 102 -5.383 4.527 10.766 1.00 1.56 H new ATOM 1514 N GLY A 103 -3.255 5.045 8.383 1.00 1.85 N ATOM 1515 CA GLY A 103 -1.794 5.134 8.503 1.00 2.25 C ATOM 1516 C GLY A 103 -1.257 4.618 9.842 1.00 2.42 C ATOM 1517 O GLY A 103 -0.155 4.067 9.878 1.00 2.78 O ATOM 0 H GLY A 103 -3.715 5.954 8.343 1.00 1.85 H new ATOM 0 HA2 GLY A 103 -1.336 4.565 7.694 1.00 2.25 H new ATOM 0 HA3 GLY A 103 -1.490 6.173 8.375 1.00 2.25 H new ATOM 1521 N ALA A 104 -2.022 4.793 10.924 1.00 2.30 N ATOM 1522 CA ALA A 104 -1.803 4.159 12.226 1.00 2.36 C ATOM 1523 C ALA A 104 -2.237 2.676 12.253 1.00 2.26 C ATOM 1524 O ALA A 104 -1.472 1.807 12.665 1.00 2.29 O ATOM 1525 CB ALA A 104 -2.523 4.990 13.297 1.00 2.51 C ATOM 0 H ALA A 104 -2.840 5.402 10.916 1.00 2.30 H new ATOM 0 HA ALA A 104 -0.733 4.142 12.433 1.00 2.36 H new ATOM 0 HB1 ALA A 104 -2.371 4.533 14.275 1.00 2.51 H new ATOM 0 HB2 ALA A 104 -2.120 6.003 13.303 1.00 2.51 H new ATOM 0 HB3 ALA A 104 -3.589 5.025 13.074 1.00 2.51 H new ATOM 1531 N ASP A 105 -3.473 2.388 11.826 1.00 2.22 N ATOM 1532 CA ASP A 105 -4.167 1.087 11.952 1.00 2.27 C ATOM 1533 C ASP A 105 -3.646 -0.039 11.029 1.00 2.01 C ATOM 1534 O ASP A 105 -4.080 -1.188 11.122 1.00 2.16 O ATOM 1535 CB ASP A 105 -5.667 1.340 11.725 1.00 2.51 C ATOM 1536 CG ASP A 105 -6.569 0.205 12.215 1.00 2.80 C ATOM 1537 OD1 ASP A 105 -6.388 -0.248 13.373 1.00 3.58 O ATOM 1538 OD2 ASP A 105 -7.513 -0.164 11.477 1.00 3.31 O ATOM 0 H ASP A 105 -4.051 3.087 11.359 1.00 2.22 H new ATOM 0 HA ASP A 105 -3.963 0.706 12.953 1.00 2.27 H new ATOM 0 HB2 ASP A 105 -5.951 2.262 12.233 1.00 2.51 H new ATOM 0 HB3 ASP A 105 -5.842 1.496 10.661 1.00 2.51 H new ATOM 1543 N THR A 106 -2.751 0.297 10.101 1.00 1.76 N ATOM 1544 CA THR A 106 -2.171 -0.581 9.071 1.00 1.68 C ATOM 1545 C THR A 106 -1.656 -1.924 9.587 1.00 1.63 C ATOM 1546 O THR A 106 -1.068 -2.021 10.669 1.00 1.46 O ATOM 1547 CB THR A 106 -1.053 0.169 8.332 1.00 1.58 C ATOM 1548 OG1 THR A 106 -0.376 -0.647 7.404 1.00 1.63 O ATOM 1549 CG2 THR A 106 -0.005 0.824 9.226 1.00 2.80 C ATOM 0 H THR A 106 -2.385 1.247 10.040 1.00 1.76 H new ATOM 0 HA THR A 106 -2.988 -0.831 8.394 1.00 1.68 H new ATOM 0 HB THR A 106 -1.600 0.963 7.823 1.00 1.58 H new ATOM 0 HG1 THR A 106 -1.021 -1.222 6.943 1.00 1.63 H new ATOM 0 HG21 THR A 106 0.738 1.327 8.607 1.00 2.80 H new ATOM 0 HG22 THR A 106 -0.487 1.553 9.878 1.00 2.80 H new ATOM 0 HG23 THR A 106 0.484 0.062 9.833 1.00 2.80 H new ATOM 1557 N THR A 107 -1.774 -2.961 8.751 1.00 1.88 N ATOM 1558 CA THR A 107 -1.149 -4.269 9.001 1.00 1.98 C ATOM 1559 C THR A 107 0.386 -4.173 9.057 1.00 1.74 C ATOM 1560 O THR A 107 1.030 -4.964 9.736 1.00 1.75 O ATOM 1561 CB THR A 107 -1.658 -5.310 7.989 1.00 2.41 C ATOM 1562 OG1 THR A 107 -1.621 -6.600 8.554 1.00 2.66 O ATOM 1563 CG2 THR A 107 -0.879 -5.359 6.675 1.00 2.54 C ATOM 0 H THR A 107 -2.305 -2.920 7.881 1.00 1.88 H new ATOM 0 HA THR A 107 -1.451 -4.613 9.990 1.00 1.98 H new ATOM 0 HB THR A 107 -2.674 -4.992 7.756 1.00 2.41 H new ATOM 0 HG1 THR A 107 -1.949 -7.253 7.901 1.00 2.66 H new ATOM 0 HG21 THR A 107 -1.309 -6.121 6.025 1.00 2.54 H new ATOM 0 HG22 THR A 107 -0.935 -4.388 6.182 1.00 2.54 H new ATOM 0 HG23 THR A 107 0.164 -5.603 6.879 1.00 2.54 H new ATOM 1571 N LEU A 108 0.988 -3.131 8.467 1.00 1.62 N ATOM 1572 CA LEU A 108 2.411 -2.789 8.613 1.00 1.47 C ATOM 1573 C LEU A 108 2.788 -2.509 10.084 1.00 1.31 C ATOM 1574 O LEU A 108 3.824 -2.967 10.563 1.00 1.30 O ATOM 1575 CB LEU A 108 2.665 -1.546 7.743 1.00 1.46 C ATOM 1576 CG LEU A 108 4.143 -1.182 7.519 1.00 1.32 C ATOM 1577 CD1 LEU A 108 4.734 -1.957 6.343 1.00 1.57 C ATOM 1578 CD2 LEU A 108 4.228 0.306 7.196 1.00 1.71 C ATOM 0 H LEU A 108 0.486 -2.485 7.858 1.00 1.62 H new ATOM 0 HA LEU A 108 3.030 -3.628 8.294 1.00 1.47 H new ATOM 0 HB2 LEU A 108 2.197 -1.703 6.771 1.00 1.46 H new ATOM 0 HB3 LEU A 108 2.165 -0.694 8.204 1.00 1.46 H new ATOM 0 HG LEU A 108 4.702 -1.432 8.421 1.00 1.32 H new ATOM 0 HD11 LEU A 108 5.779 -1.677 6.211 1.00 1.57 H new ATOM 0 HD12 LEU A 108 4.667 -3.027 6.542 1.00 1.57 H new ATOM 0 HD13 LEU A 108 4.178 -1.721 5.436 1.00 1.57 H new ATOM 0 HD21 LEU A 108 5.269 0.584 7.034 1.00 1.71 H new ATOM 0 HD22 LEU A 108 3.652 0.516 6.295 1.00 1.71 H new ATOM 0 HD23 LEU A 108 3.824 0.883 8.028 1.00 1.71 H new ATOM 1590 N SER A 109 1.917 -1.799 10.811 1.00 1.27 N ATOM 1591 CA SER A 109 2.030 -1.575 12.258 1.00 1.30 C ATOM 1592 C SER A 109 1.690 -2.844 13.054 1.00 1.43 C ATOM 1593 O SER A 109 2.235 -3.067 14.135 1.00 1.60 O ATOM 1594 CB SER A 109 1.150 -0.392 12.688 1.00 1.35 C ATOM 1595 OG SER A 109 1.487 0.019 14.002 1.00 2.68 O ATOM 0 H SER A 109 1.096 -1.354 10.401 1.00 1.27 H new ATOM 0 HA SER A 109 3.068 -1.327 12.481 1.00 1.30 H new ATOM 0 HB2 SER A 109 1.281 0.439 11.995 1.00 1.35 H new ATOM 0 HB3 SER A 109 0.099 -0.678 12.647 1.00 1.35 H new ATOM 0 HG SER A 109 0.920 0.774 14.264 1.00 2.68 H new ATOM 1601 N GLN A 110 0.851 -3.727 12.501 1.00 1.49 N ATOM 1602 CA GLN A 110 0.550 -5.021 13.143 1.00 1.70 C ATOM 1603 C GLN A 110 1.760 -5.985 13.108 1.00 1.89 C ATOM 1604 O GLN A 110 2.063 -6.662 14.094 1.00 2.12 O ATOM 1605 CB GLN A 110 -0.687 -5.642 12.476 1.00 1.81 C ATOM 1606 CG GLN A 110 -1.378 -6.688 13.356 1.00 2.08 C ATOM 1607 CD GLN A 110 -2.304 -6.005 14.345 1.00 2.30 C ATOM 1608 OE1 GLN A 110 -2.000 -5.832 15.516 1.00 2.41 O ATOM 1609 NE2 GLN A 110 -3.445 -5.550 13.893 1.00 2.43 N ATOM 0 H GLN A 110 0.368 -3.575 11.615 1.00 1.49 H new ATOM 0 HA GLN A 110 0.336 -4.844 14.197 1.00 1.70 H new ATOM 0 HB2 GLN A 110 -1.398 -4.852 12.234 1.00 1.81 H new ATOM 0 HB3 GLN A 110 -0.392 -6.105 11.534 1.00 1.81 H new ATOM 0 HG2 GLN A 110 -1.944 -7.381 12.734 1.00 2.08 H new ATOM 0 HG3 GLN A 110 -0.632 -7.276 13.890 1.00 2.08 H new ATOM 0 HE21 GLN A 110 -3.700 -5.694 12.916 1.00 2.43 H new ATOM 0 HE22 GLN A 110 -4.079 -5.052 14.518 1.00 2.43 H new ATOM 1618 N ILE A 111 2.493 -6.004 11.988 1.00 1.84 N ATOM 1619 CA ILE A 111 3.701 -6.819 11.765 1.00 2.01 C ATOM 1620 C ILE A 111 4.806 -6.485 12.780 1.00 2.00 C ATOM 1621 O ILE A 111 5.386 -7.395 13.372 1.00 2.22 O ATOM 1622 CB ILE A 111 4.178 -6.648 10.299 1.00 2.05 C ATOM 1623 CG1 ILE A 111 3.211 -7.369 9.330 1.00 2.20 C ATOM 1624 CG2 ILE A 111 5.608 -7.176 10.070 1.00 2.20 C ATOM 1625 CD1 ILE A 111 3.346 -6.895 7.876 1.00 2.27 C ATOM 0 H ILE A 111 2.254 -5.431 11.179 1.00 1.84 H new ATOM 0 HA ILE A 111 3.454 -7.869 11.924 1.00 2.01 H new ATOM 0 HB ILE A 111 4.184 -5.576 10.100 1.00 2.05 H new ATOM 0 HG12 ILE A 111 3.396 -8.442 9.374 1.00 2.20 H new ATOM 0 HG13 ILE A 111 2.186 -7.209 9.664 1.00 2.20 H new ATOM 0 HG21 ILE A 111 5.887 -7.030 9.027 1.00 2.20 H new ATOM 0 HG22 ILE A 111 6.303 -6.634 10.711 1.00 2.20 H new ATOM 0 HG23 ILE A 111 5.646 -8.239 10.310 1.00 2.20 H new ATOM 0 HD11 ILE A 111 2.640 -7.440 7.249 1.00 2.27 H new ATOM 0 HD12 ILE A 111 3.132 -5.828 7.820 1.00 2.27 H new ATOM 0 HD13 ILE A 111 4.361 -7.081 7.526 1.00 2.27 H new ATOM 1637 N VAL A 112 5.083 -5.207 13.064 1.00 1.83 N ATOM 1638 CA VAL A 112 6.162 -4.811 14.000 1.00 1.90 C ATOM 1639 C VAL A 112 5.917 -5.174 15.476 1.00 2.11 C ATOM 1640 O VAL A 112 6.824 -5.077 16.303 1.00 2.12 O ATOM 1641 CB VAL A 112 6.568 -3.339 13.840 1.00 1.78 C ATOM 1642 CG1 VAL A 112 7.283 -3.120 12.499 1.00 1.56 C ATOM 1643 CG2 VAL A 112 5.408 -2.351 13.928 1.00 1.76 C ATOM 0 H VAL A 112 4.576 -4.419 12.660 1.00 1.83 H new ATOM 0 HA VAL A 112 7.007 -5.430 13.697 1.00 1.90 H new ATOM 0 HB VAL A 112 7.230 -3.139 14.683 1.00 1.78 H new ATOM 0 HG11 VAL A 112 7.563 -2.071 12.403 1.00 1.56 H new ATOM 0 HG12 VAL A 112 8.179 -3.740 12.459 1.00 1.56 H new ATOM 0 HG13 VAL A 112 6.615 -3.393 11.682 1.00 1.56 H new ATOM 0 HG21 VAL A 112 5.785 -1.336 13.804 1.00 1.76 H new ATOM 0 HG22 VAL A 112 4.685 -2.568 13.142 1.00 1.76 H new ATOM 0 HG23 VAL A 112 4.925 -2.443 14.901 1.00 1.76 H new ATOM 1653 N LYS A 113 4.710 -5.629 15.820 1.00 2.35 N ATOM 1654 CA LYS A 113 4.421 -6.288 17.112 1.00 2.76 C ATOM 1655 C LYS A 113 4.964 -7.729 17.148 1.00 2.91 C ATOM 1656 O LYS A 113 5.459 -8.188 18.176 1.00 3.28 O ATOM 1657 CB LYS A 113 2.913 -6.295 17.393 1.00 3.04 C ATOM 1658 CG LYS A 113 2.296 -4.890 17.472 1.00 3.18 C ATOM 1659 CD LYS A 113 0.770 -4.945 17.543 1.00 3.60 C ATOM 1660 CE LYS A 113 0.328 -5.466 18.905 1.00 4.22 C ATOM 1661 NZ LYS A 113 -1.115 -5.793 18.927 1.00 4.88 N ATOM 0 H LYS A 113 3.895 -5.554 15.211 1.00 2.35 H new ATOM 0 HA LYS A 113 4.927 -5.713 17.888 1.00 2.76 H new ATOM 0 HB2 LYS A 113 2.408 -6.861 16.610 1.00 3.04 H new ATOM 0 HB3 LYS A 113 2.729 -6.817 18.332 1.00 3.04 H new ATOM 0 HG2 LYS A 113 2.683 -4.372 18.350 1.00 3.18 H new ATOM 0 HG3 LYS A 113 2.599 -4.310 16.600 1.00 3.18 H new ATOM 0 HD2 LYS A 113 0.354 -3.952 17.372 1.00 3.60 H new ATOM 0 HD3 LYS A 113 0.385 -5.592 16.755 1.00 3.60 H new ATOM 0 HE2 LYS A 113 0.906 -6.355 19.159 1.00 4.22 H new ATOM 0 HE3 LYS A 113 0.543 -4.717 19.668 1.00 4.22 H new ATOM 0 HZ1 LYS A 113 -1.377 -6.144 19.870 1.00 4.88 H new ATOM 0 HZ2 LYS A 113 -1.668 -4.939 18.709 1.00 4.88 H new ATOM 0 HZ3 LYS A 113 -1.316 -6.526 18.217 1.00 4.88 H new ATOM 1675 N LEU A 114 4.845 -8.435 16.017 1.00 2.76 N ATOM 1676 CA LEU A 114 5.277 -9.821 15.773 1.00 3.13 C ATOM 1677 C LEU A 114 6.796 -9.950 15.533 1.00 3.31 C ATOM 1678 O LEU A 114 7.438 -10.887 16.010 1.00 3.90 O ATOM 1679 CB LEU A 114 4.461 -10.351 14.566 1.00 3.04 C ATOM 1680 CG LEU A 114 3.861 -11.754 14.722 1.00 3.63 C ATOM 1681 CD1 LEU A 114 3.087 -12.113 13.451 1.00 3.51 C ATOM 1682 CD2 LEU A 114 4.931 -12.820 14.934 1.00 4.45 C ATOM 0 H LEU A 114 4.414 -8.026 15.188 1.00 2.76 H new ATOM 0 HA LEU A 114 5.086 -10.419 16.664 1.00 3.13 H new ATOM 0 HB2 LEU A 114 3.650 -9.651 14.366 1.00 3.04 H new ATOM 0 HB3 LEU A 114 5.107 -10.350 13.688 1.00 3.04 H new ATOM 0 HG LEU A 114 3.213 -11.733 15.598 1.00 3.63 H new ATOM 0 HD11 LEU A 114 2.658 -13.110 13.556 1.00 3.51 H new ATOM 0 HD12 LEU A 114 2.288 -11.388 13.295 1.00 3.51 H new ATOM 0 HD13 LEU A 114 3.763 -12.097 12.596 1.00 3.51 H new ATOM 0 HD21 LEU A 114 4.457 -13.796 15.039 1.00 4.45 H new ATOM 0 HD22 LEU A 114 5.605 -12.834 14.077 1.00 4.45 H new ATOM 0 HD23 LEU A 114 5.497 -12.593 15.837 1.00 4.45 H new ATOM 1694 N VAL A 115 7.370 -9.014 14.765 1.00 2.94 N ATOM 1695 CA VAL A 115 8.805 -8.966 14.402 1.00 3.19 C ATOM 1696 C VAL A 115 9.693 -8.598 15.595 1.00 3.36 C ATOM 1697 O VAL A 115 10.862 -8.962 15.622 1.00 3.86 O ATOM 1698 CB VAL A 115 9.029 -8.014 13.204 1.00 2.96 C ATOM 1699 CG1 VAL A 115 10.503 -7.802 12.825 1.00 3.34 C ATOM 1700 CG2 VAL A 115 8.344 -8.569 11.949 1.00 3.31 C ATOM 0 H VAL A 115 6.837 -8.242 14.363 1.00 2.94 H new ATOM 0 HA VAL A 115 9.103 -9.970 14.098 1.00 3.19 H new ATOM 0 HB VAL A 115 8.612 -7.062 13.533 1.00 2.96 H new ATOM 0 HG11 VAL A 115 10.566 -7.121 11.976 1.00 3.34 H new ATOM 0 HG12 VAL A 115 11.039 -7.375 13.673 1.00 3.34 H new ATOM 0 HG13 VAL A 115 10.951 -8.759 12.557 1.00 3.34 H new ATOM 0 HG21 VAL A 115 8.510 -7.889 11.113 1.00 3.31 H new ATOM 0 HG22 VAL A 115 8.761 -9.547 11.709 1.00 3.31 H new ATOM 0 HG23 VAL A 115 7.274 -8.666 12.131 1.00 3.31 H new ATOM 1710 N GLU A 116 9.147 -7.944 16.619 1.00 3.18 N ATOM 1711 CA GLU A 116 9.821 -7.705 17.900 1.00 3.56 C ATOM 1712 C GLU A 116 10.234 -9.035 18.555 1.00 4.54 C ATOM 1713 O GLU A 116 11.422 -9.321 18.708 1.00 5.42 O ATOM 1714 CB GLU A 116 8.842 -6.880 18.748 1.00 3.71 C ATOM 1715 CG GLU A 116 9.384 -6.332 20.064 1.00 4.11 C ATOM 1716 CD GLU A 116 8.379 -5.310 20.604 1.00 4.08 C ATOM 1717 OE1 GLU A 116 7.403 -5.712 21.275 1.00 5.16 O ATOM 1718 OE2 GLU A 116 8.513 -4.103 20.280 1.00 3.73 O ATOM 0 H GLU A 116 8.204 -7.556 16.583 1.00 3.18 H new ATOM 0 HA GLU A 116 10.754 -7.154 17.782 1.00 3.56 H new ATOM 0 HB2 GLU A 116 8.491 -6.041 18.147 1.00 3.71 H new ATOM 0 HB3 GLU A 116 7.973 -7.500 18.968 1.00 3.71 H new ATOM 0 HG2 GLU A 116 9.529 -7.139 20.782 1.00 4.11 H new ATOM 0 HG3 GLU A 116 10.357 -5.865 19.910 1.00 4.11 H new ATOM 1725 N GLU A 117 9.274 -9.916 18.836 1.00 4.56 N ATOM 1726 CA GLU A 117 9.530 -11.262 19.368 1.00 5.52 C ATOM 1727 C GLU A 117 10.275 -12.231 18.426 1.00 6.04 C ATOM 1728 O GLU A 117 10.573 -13.357 18.840 1.00 7.01 O ATOM 1729 CB GLU A 117 8.213 -11.877 19.868 1.00 5.45 C ATOM 1730 CG GLU A 117 7.597 -11.063 21.018 1.00 5.47 C ATOM 1731 CD GLU A 117 7.042 -11.974 22.116 1.00 6.55 C ATOM 1732 OE1 GLU A 117 5.997 -12.637 21.890 1.00 7.27 O ATOM 1733 OE2 GLU A 117 7.648 -12.047 23.214 1.00 7.03 O ATOM 0 H GLU A 117 8.283 -9.716 18.700 1.00 4.56 H new ATOM 0 HA GLU A 117 10.228 -11.119 20.192 1.00 5.52 H new ATOM 0 HB2 GLU A 117 7.503 -11.933 19.043 1.00 5.45 H new ATOM 0 HB3 GLU A 117 8.394 -12.898 20.203 1.00 5.45 H new ATOM 0 HG2 GLU A 117 8.352 -10.400 21.441 1.00 5.47 H new ATOM 0 HG3 GLU A 117 6.798 -10.431 20.630 1.00 5.47 H new ATOM 1740 N ALA A 118 10.552 -11.862 17.168 1.00 5.60 N ATOM 1741 CA ALA A 118 11.318 -12.704 16.244 1.00 6.30 C ATOM 1742 C ALA A 118 12.809 -12.800 16.623 1.00 6.79 C ATOM 1743 O ALA A 118 13.433 -13.837 16.377 1.00 7.95 O ATOM 1744 CB ALA A 118 11.160 -12.168 14.816 1.00 5.90 C ATOM 0 H ALA A 118 10.252 -10.974 16.765 1.00 5.60 H new ATOM 0 HA ALA A 118 10.917 -13.715 16.309 1.00 6.30 H new ATOM 0 HB1 ALA A 118 11.729 -12.793 14.128 1.00 5.90 H new ATOM 0 HB2 ALA A 118 10.107 -12.185 14.535 1.00 5.90 H new ATOM 0 HB3 ALA A 118 11.532 -11.144 14.768 1.00 5.90 H new ATOM 1750 N GLN A 119 13.380 -11.736 17.202 1.00 6.02 N ATOM 1751 CA GLN A 119 14.791 -11.653 17.618 1.00 6.46 C ATOM 1752 C GLN A 119 15.149 -12.463 18.871 1.00 7.43 C ATOM 1753 O GLN A 119 16.360 -12.539 19.167 1.00 8.04 O ATOM 1754 CB GLN A 119 15.219 -10.174 17.708 1.00 5.58 C ATOM 1755 CG GLN A 119 15.533 -9.564 16.331 1.00 5.16 C ATOM 1756 CD GLN A 119 14.273 -9.235 15.574 1.00 4.58 C ATOM 1757 OE1 GLN A 119 13.862 -9.919 14.647 1.00 5.51 O ATOM 1758 NE2 GLN A 119 13.587 -8.216 16.014 1.00 3.62 N ATOM 0 H GLN A 119 12.859 -10.882 17.401 1.00 6.02 H new ATOM 0 HA GLN A 119 15.377 -12.144 16.841 1.00 6.46 H new ATOM 0 HB2 GLN A 119 14.425 -9.598 18.184 1.00 5.58 H new ATOM 0 HB3 GLN A 119 16.099 -10.092 18.347 1.00 5.58 H new ATOM 0 HG2 GLN A 119 16.128 -8.660 16.459 1.00 5.16 H new ATOM 0 HG3 GLN A 119 16.136 -10.263 15.751 1.00 5.16 H new ATOM 0 HE21 GLN A 119 13.945 -7.656 16.788 1.00 3.62 H new ATOM 0 HE22 GLN A 119 12.693 -7.979 15.584 1.00 3.62 H new TER 1767 GLN A 119