USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 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 92 ASN : amide:sc= -0.642 K(o=-0.58,f=-3.2) USER MOD Set 1.2: A 103 LYS NZ :NH3+ 169:sc= 0.0586 (180deg=-0.174) USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 1.02 USER MOD Set 2.2: A 66 CYS SG : rot 43:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 1.28 (180deg=-0.731) USER MOD Single : A 4 SER OG : rot 65:sc= 0.426 USER MOD Single : A 5 MET CE :methyl 133:sc= -0.213 (180deg=-0.825) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 8 THR OG1 : rot -4:sc= -0.723 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -111:sc= -0.449 (180deg=-0.829) USER MOD Single : A 34 ASN : amide:sc= -0.0581 K(o=-0.058,f=-6.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.757 K(o=0.76,f=-0.6) USER MOD Single : A 53 THR OG1 : rot 170:sc= -1.42! USER MOD Single : A 59 MET CE :methyl 168:sc= -1.23 (180deg=-1.63) USER MOD Single : A 60 THR OG1 : rot 115:sc= 0.734 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00227 USER MOD Single : A 69 THR OG1 : rot 78:sc= 1.38 USER MOD Single : A 75 GLN : amide:sc= -0.897 K(o=-0.9,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 156:sc= 0.77 USER MOD Single : A 96 ASN : amide:sc= -0.907 X(o=-0.91,f=-0.59) USER MOD Single : A 105 THR OG1 : rot 47:sc= 2.2 USER MOD Single : A 111 GLN : amide:sc= -0.001 K(o=-0.001,f=-0.85) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0617 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.282 -4.683 6.182 1.00 74.14 N ATOM 2 CA GLY A 1 13.077 -5.692 5.116 1.00 13.11 C ATOM 3 C GLY A 1 12.408 -5.103 3.889 1.00 61.52 C ATOM 4 O GLY A 1 11.276 -4.626 3.976 1.00 32.24 O ATOM 0 H1 GLY A 1 14.196 -4.852 6.649 1.00 74.14 H new ATOM 0 H2 GLY A 1 13.277 -3.731 5.764 1.00 74.14 H new ATOM 0 H3 GLY A 1 12.517 -4.757 6.882 1.00 74.14 H new ATOM 0 HA2 GLY A 1 14.039 -6.119 4.833 1.00 13.11 H new ATOM 0 HA3 GLY A 1 12.467 -6.508 5.503 1.00 13.11 H new ATOM 10 N PRO A 2 13.092 -5.102 2.726 1.00 2.15 N ATOM 11 CA PRO A 2 12.519 -4.599 1.475 1.00 53.45 C ATOM 12 C PRO A 2 11.623 -5.637 0.797 1.00 3.11 C ATOM 13 O PRO A 2 11.714 -6.835 1.092 1.00 74.35 O ATOM 14 CB PRO A 2 13.760 -4.316 0.624 1.00 2.54 C ATOM 15 CG PRO A 2 14.752 -5.338 1.069 1.00 2.42 C ATOM 16 CD PRO A 2 14.481 -5.578 2.538 1.00 22.34 C ATOM 0 HA PRO A 2 11.879 -3.729 1.626 1.00 53.45 H new ATOM 0 HB2 PRO A 2 13.543 -4.409 -0.440 1.00 2.54 H new ATOM 0 HB3 PRO A 2 14.131 -3.304 0.786 1.00 2.54 H new ATOM 0 HG2 PRO A 2 14.644 -6.260 0.498 1.00 2.42 H new ATOM 0 HG3 PRO A 2 15.771 -4.984 0.914 1.00 2.42 H new ATOM 0 HD2 PRO A 2 14.580 -6.632 2.796 1.00 22.34 H new ATOM 0 HD3 PRO A 2 15.180 -5.029 3.168 1.00 22.34 H new ATOM 24 N GLY A 3 10.763 -5.172 -0.106 1.00 41.23 N ATOM 25 CA GLY A 3 9.888 -6.068 -0.841 1.00 64.21 C ATOM 26 C GLY A 3 10.666 -7.146 -1.575 1.00 4.15 C ATOM 27 O GLY A 3 11.579 -6.840 -2.347 1.00 22.41 O ATOM 0 H GLY A 3 10.657 -4.185 -0.342 1.00 41.23 H new ATOM 0 HA2 GLY A 3 9.184 -6.534 -0.151 1.00 64.21 H new ATOM 0 HA3 GLY A 3 9.300 -5.494 -1.557 1.00 64.21 H new ATOM 31 N SER A 4 10.314 -8.404 -1.328 1.00 44.32 N ATOM 32 CA SER A 4 11.009 -9.538 -1.925 1.00 53.20 C ATOM 33 C SER A 4 9.998 -10.548 -2.466 1.00 44.44 C ATOM 34 O SER A 4 9.361 -11.273 -1.698 1.00 51.23 O ATOM 35 CB SER A 4 11.930 -10.190 -0.885 1.00 70.54 C ATOM 36 OG SER A 4 12.791 -9.226 -0.299 1.00 5.20 O ATOM 0 H SER A 4 9.544 -8.665 -0.712 1.00 44.32 H new ATOM 0 HA SER A 4 11.620 -9.188 -2.757 1.00 53.20 H new ATOM 0 HB2 SER A 4 11.330 -10.667 -0.110 1.00 70.54 H new ATOM 0 HB3 SER A 4 12.522 -10.974 -1.358 1.00 70.54 H new ATOM 0 HG SER A 4 12.259 -8.575 0.204 1.00 5.20 H new ATOM 42 N MET A 5 9.828 -10.557 -3.791 1.00 72.53 N ATOM 43 CA MET A 5 8.880 -11.450 -4.471 1.00 24.31 C ATOM 44 C MET A 5 7.444 -11.163 -4.027 1.00 11.30 C ATOM 45 O MET A 5 6.525 -11.925 -4.329 1.00 44.31 O ATOM 46 CB MET A 5 9.225 -12.938 -4.238 1.00 73.15 C ATOM 47 CG MET A 5 10.589 -13.366 -4.778 1.00 72.04 C ATOM 48 SD MET A 5 11.967 -12.797 -3.756 1.00 12.22 S ATOM 49 CE MET A 5 11.662 -13.700 -2.235 1.00 65.13 C ATOM 0 H MET A 5 10.343 -9.946 -4.425 1.00 72.53 H new ATOM 0 HA MET A 5 8.963 -11.252 -5.540 1.00 24.31 H new ATOM 0 HB2 MET A 5 9.192 -13.142 -3.168 1.00 73.15 H new ATOM 0 HB3 MET A 5 8.455 -13.553 -4.703 1.00 73.15 H new ATOM 0 HG2 MET A 5 10.621 -14.453 -4.847 1.00 72.04 H new ATOM 0 HG3 MET A 5 10.710 -12.978 -5.790 1.00 72.04 H new ATOM 0 HE1 MET A 5 12.590 -14.158 -1.891 1.00 65.13 H new ATOM 0 HE2 MET A 5 11.292 -13.014 -1.473 1.00 65.13 H new ATOM 0 HE3 MET A 5 10.919 -14.477 -2.416 1.00 65.13 H new ATOM 59 N SER A 6 7.256 -10.048 -3.334 1.00 2.43 N ATOM 60 CA SER A 6 5.946 -9.651 -2.832 1.00 20.01 C ATOM 61 C SER A 6 5.304 -8.633 -3.771 1.00 21.15 C ATOM 62 O SER A 6 4.121 -8.318 -3.663 1.00 51.51 O ATOM 63 CB SER A 6 6.111 -9.063 -1.426 1.00 12.44 C ATOM 64 OG SER A 6 7.235 -8.190 -1.369 1.00 2.15 O ATOM 0 H SER A 6 8.005 -9.394 -3.104 1.00 2.43 H new ATOM 0 HA SER A 6 5.291 -10.521 -2.785 1.00 20.01 H new ATOM 0 HB2 SER A 6 5.209 -8.519 -1.147 1.00 12.44 H new ATOM 0 HB3 SER A 6 6.234 -9.869 -0.703 1.00 12.44 H new ATOM 0 HG SER A 6 7.320 -7.825 -0.463 1.00 2.15 H new ATOM 70 N GLU A 7 6.108 -8.144 -4.701 1.00 34.02 N ATOM 71 CA GLU A 7 5.711 -7.069 -5.610 1.00 41.25 C ATOM 72 C GLU A 7 5.883 -7.505 -7.062 1.00 71.03 C ATOM 73 O GLU A 7 5.509 -6.785 -7.989 1.00 31.25 O ATOM 74 CB GLU A 7 6.558 -5.810 -5.329 1.00 23.14 C ATOM 75 CG GLU A 7 8.048 -5.938 -5.687 1.00 75.52 C ATOM 76 CD GLU A 7 8.716 -7.177 -5.100 1.00 41.45 C ATOM 77 OE1 GLU A 7 8.632 -7.382 -3.873 1.00 41.04 O ATOM 78 OE2 GLU A 7 9.313 -7.965 -5.868 1.00 14.04 O ATOM 0 H GLU A 7 7.059 -8.480 -4.851 1.00 34.02 H new ATOM 0 HA GLU A 7 4.659 -6.838 -5.443 1.00 41.25 H new ATOM 0 HB2 GLU A 7 6.136 -4.974 -5.887 1.00 23.14 H new ATOM 0 HB3 GLU A 7 6.474 -5.562 -4.271 1.00 23.14 H new ATOM 0 HG2 GLU A 7 8.151 -5.960 -6.772 1.00 75.52 H new ATOM 0 HG3 GLU A 7 8.575 -5.051 -5.335 1.00 75.52 H new ATOM 85 N THR A 8 6.453 -8.690 -7.250 1.00 0.25 N ATOM 86 CA THR A 8 6.783 -9.191 -8.574 1.00 41.23 C ATOM 87 C THR A 8 5.523 -9.412 -9.419 1.00 3.23 C ATOM 88 O THR A 8 4.867 -10.452 -9.323 1.00 75.33 O ATOM 89 CB THR A 8 7.597 -10.499 -8.470 1.00 3.43 C ATOM 90 OG1 THR A 8 8.683 -10.305 -7.548 1.00 52.31 O ATOM 91 CG2 THR A 8 8.152 -10.921 -9.828 1.00 23.12 C ATOM 0 H THR A 8 6.697 -9.326 -6.491 1.00 0.25 H new ATOM 0 HA THR A 8 7.392 -8.437 -9.072 1.00 41.23 H new ATOM 0 HB THR A 8 6.934 -11.289 -8.117 1.00 3.43 H new ATOM 0 HG1 THR A 8 8.699 -9.370 -7.254 1.00 52.31 H new ATOM 0 HG21 THR A 8 8.719 -11.845 -9.718 1.00 23.12 H new ATOM 0 HG22 THR A 8 7.328 -11.082 -10.524 1.00 23.12 H new ATOM 0 HG23 THR A 8 8.805 -10.138 -10.213 1.00 23.12 H new ATOM 99 N SER A 9 5.184 -8.402 -10.210 1.00 11.41 N ATOM 100 CA SER A 9 4.045 -8.450 -11.117 1.00 4.13 C ATOM 101 C SER A 9 4.228 -7.389 -12.202 1.00 34.11 C ATOM 102 O SER A 9 5.122 -6.545 -12.089 1.00 54.45 O ATOM 103 CB SER A 9 2.739 -8.227 -10.340 1.00 23.24 C ATOM 104 OG SER A 9 2.801 -7.045 -9.556 1.00 22.10 O ATOM 0 H SER A 9 5.696 -7.520 -10.240 1.00 11.41 H new ATOM 0 HA SER A 9 3.987 -9.431 -11.588 1.00 4.13 H new ATOM 0 HB2 SER A 9 1.905 -8.159 -11.038 1.00 23.24 H new ATOM 0 HB3 SER A 9 2.546 -9.084 -9.695 1.00 23.24 H new ATOM 0 HG SER A 9 1.956 -6.928 -9.074 1.00 22.10 H new ATOM 110 N ALA A 10 3.395 -7.442 -13.248 1.00 12.54 N ATOM 111 CA ALA A 10 3.492 -6.509 -14.377 1.00 4.04 C ATOM 112 C ALA A 10 4.803 -6.739 -15.149 1.00 74.01 C ATOM 113 O ALA A 10 5.687 -7.455 -14.668 1.00 53.05 O ATOM 114 CB ALA A 10 3.381 -5.062 -13.883 1.00 20.53 C ATOM 0 H ALA A 10 2.642 -8.125 -13.336 1.00 12.54 H new ATOM 0 HA ALA A 10 2.664 -6.693 -15.061 1.00 4.04 H new ATOM 0 HB1 ALA A 10 3.455 -4.381 -14.731 1.00 20.53 H new ATOM 0 HB2 ALA A 10 2.421 -4.920 -13.386 1.00 20.53 H new ATOM 0 HB3 ALA A 10 4.188 -4.855 -13.180 1.00 20.53 H new ATOM 120 N PRO A 11 4.943 -6.182 -16.373 1.00 43.52 N ATOM 121 CA PRO A 11 6.202 -6.272 -17.126 1.00 32.21 C ATOM 122 C PRO A 11 7.330 -5.514 -16.423 1.00 64.54 C ATOM 123 O PRO A 11 7.076 -4.545 -15.701 1.00 61.43 O ATOM 124 CB PRO A 11 5.865 -5.630 -18.482 1.00 13.03 C ATOM 125 CG PRO A 11 4.690 -4.754 -18.204 1.00 75.05 C ATOM 126 CD PRO A 11 3.902 -5.457 -17.131 1.00 73.13 C ATOM 0 HA PRO A 11 6.558 -7.298 -17.221 1.00 32.21 H new ATOM 0 HB2 PRO A 11 6.706 -5.054 -18.867 1.00 13.03 H new ATOM 0 HB3 PRO A 11 5.627 -6.386 -19.230 1.00 13.03 H new ATOM 0 HG2 PRO A 11 5.008 -3.766 -17.872 1.00 75.05 H new ATOM 0 HG3 PRO A 11 4.088 -4.610 -19.101 1.00 75.05 H new ATOM 0 HD2 PRO A 11 3.361 -4.752 -16.500 1.00 73.13 H new ATOM 0 HD3 PRO A 11 3.163 -6.138 -17.554 1.00 73.13 H new ATOM 134 N ALA A 12 8.568 -5.945 -16.660 1.00 71.34 N ATOM 135 CA ALA A 12 9.740 -5.389 -15.981 1.00 70.43 C ATOM 136 C ALA A 12 9.808 -3.868 -16.112 1.00 51.32 C ATOM 137 O ALA A 12 10.287 -3.179 -15.210 1.00 23.42 O ATOM 138 CB ALA A 12 11.015 -6.027 -16.527 1.00 51.10 C ATOM 0 H ALA A 12 8.788 -6.686 -17.325 1.00 71.34 H new ATOM 0 HA ALA A 12 9.647 -5.620 -14.920 1.00 70.43 H new ATOM 0 HB1 ALA A 12 11.880 -5.606 -16.015 1.00 51.10 H new ATOM 0 HB2 ALA A 12 10.983 -7.104 -16.361 1.00 51.10 H new ATOM 0 HB3 ALA A 12 11.093 -5.827 -17.596 1.00 51.10 H new ATOM 144 N GLU A 13 9.326 -3.353 -17.239 1.00 21.50 N ATOM 145 CA GLU A 13 9.341 -1.915 -17.501 1.00 35.04 C ATOM 146 C GLU A 13 8.491 -1.153 -16.480 1.00 20.43 C ATOM 147 O GLU A 13 8.971 -0.215 -15.839 1.00 53.42 O ATOM 148 CB GLU A 13 8.867 -1.636 -18.933 1.00 74.23 C ATOM 149 CG GLU A 13 7.547 -2.310 -19.300 1.00 22.30 C ATOM 150 CD GLU A 13 7.178 -2.114 -20.761 1.00 63.43 C ATOM 151 OE1 GLU A 13 7.687 -2.873 -21.613 1.00 25.20 O ATOM 152 OE2 GLU A 13 6.389 -1.193 -21.065 1.00 12.51 O ATOM 0 H GLU A 13 8.918 -3.911 -17.989 1.00 21.50 H new ATOM 0 HA GLU A 13 10.366 -1.558 -17.398 1.00 35.04 H new ATOM 0 HB2 GLU A 13 8.761 -0.559 -19.065 1.00 74.23 H new ATOM 0 HB3 GLU A 13 9.637 -1.968 -19.629 1.00 74.23 H new ATOM 0 HG2 GLU A 13 7.616 -3.377 -19.086 1.00 22.30 H new ATOM 0 HG3 GLU A 13 6.752 -1.910 -18.671 1.00 22.30 H new ATOM 159 N GLU A 14 7.238 -1.574 -16.312 1.00 31.51 N ATOM 160 CA GLU A 14 6.337 -0.927 -15.362 1.00 52.34 C ATOM 161 C GLU A 14 6.752 -1.255 -13.935 1.00 23.41 C ATOM 162 O GLU A 14 6.714 -0.398 -13.060 1.00 34.34 O ATOM 163 CB GLU A 14 4.882 -1.356 -15.598 1.00 40.34 C ATOM 164 CG GLU A 14 4.331 -0.950 -16.960 1.00 24.30 C ATOM 165 CD GLU A 14 2.851 -1.267 -17.105 1.00 3.05 C ATOM 166 OE1 GLU A 14 2.016 -0.361 -16.901 1.00 73.12 O ATOM 167 OE2 GLU A 14 2.513 -2.424 -17.426 1.00 25.03 O ATOM 0 H GLU A 14 6.826 -2.357 -16.819 1.00 31.51 H new ATOM 0 HA GLU A 14 6.404 0.150 -15.515 1.00 52.34 H new ATOM 0 HB2 GLU A 14 4.812 -2.439 -15.497 1.00 40.34 H new ATOM 0 HB3 GLU A 14 4.255 -0.922 -14.819 1.00 40.34 H new ATOM 0 HG2 GLU A 14 4.487 0.119 -17.108 1.00 24.30 H new ATOM 0 HG3 GLU A 14 4.888 -1.465 -17.742 1.00 24.30 H new ATOM 174 N LEU A 15 7.167 -2.503 -13.724 1.00 35.11 N ATOM 175 CA LEU A 15 7.579 -2.976 -12.407 1.00 23.02 C ATOM 176 C LEU A 15 8.733 -2.124 -11.881 1.00 64.44 C ATOM 177 O LEU A 15 8.714 -1.687 -10.735 1.00 34.50 O ATOM 178 CB LEU A 15 7.969 -4.470 -12.485 1.00 10.24 C ATOM 179 CG LEU A 15 8.255 -5.195 -11.146 1.00 13.43 C ATOM 180 CD1 LEU A 15 9.642 -4.855 -10.594 1.00 21.24 C ATOM 181 CD2 LEU A 15 7.174 -4.872 -10.116 1.00 41.12 C ATOM 0 H LEU A 15 7.226 -3.210 -14.457 1.00 35.11 H new ATOM 0 HA LEU A 15 6.748 -2.879 -11.709 1.00 23.02 H new ATOM 0 HB2 LEU A 15 7.166 -5.003 -12.994 1.00 10.24 H new ATOM 0 HB3 LEU A 15 8.856 -4.556 -13.113 1.00 10.24 H new ATOM 0 HG LEU A 15 8.239 -6.266 -11.349 1.00 13.43 H new ATOM 0 HD11 LEU A 15 9.800 -5.385 -9.655 1.00 21.24 H new ATOM 0 HD12 LEU A 15 10.404 -5.156 -11.313 1.00 21.24 H new ATOM 0 HD13 LEU A 15 9.711 -3.781 -10.421 1.00 21.24 H new ATOM 0 HD21 LEU A 15 7.394 -5.391 -9.183 1.00 41.12 H new ATOM 0 HD22 LEU A 15 7.152 -3.797 -9.937 1.00 41.12 H new ATOM 0 HD23 LEU A 15 6.204 -5.197 -10.492 1.00 41.12 H new ATOM 193 N LEU A 16 9.728 -1.877 -12.731 1.00 70.14 N ATOM 194 CA LEU A 16 10.899 -1.092 -12.342 1.00 62.03 C ATOM 195 C LEU A 16 10.486 0.302 -11.867 1.00 12.05 C ATOM 196 O LEU A 16 10.791 0.703 -10.736 1.00 4.34 O ATOM 197 CB LEU A 16 11.882 -0.978 -13.517 1.00 4.42 C ATOM 198 CG LEU A 16 13.177 -0.196 -13.227 1.00 41.04 C ATOM 199 CD1 LEU A 16 13.978 -0.866 -12.109 1.00 31.52 C ATOM 200 CD2 LEU A 16 14.022 -0.069 -14.492 1.00 31.24 C ATOM 0 H LEU A 16 9.747 -2.210 -13.695 1.00 70.14 H new ATOM 0 HA LEU A 16 11.392 -1.606 -11.517 1.00 62.03 H new ATOM 0 HB2 LEU A 16 12.151 -1.983 -13.842 1.00 4.42 H new ATOM 0 HB3 LEU A 16 11.369 -0.500 -14.352 1.00 4.42 H new ATOM 0 HG LEU A 16 12.903 0.805 -12.895 1.00 41.04 H new ATOM 0 HD11 LEU A 16 14.888 -0.296 -11.922 1.00 31.52 H new ATOM 0 HD12 LEU A 16 13.377 -0.899 -11.200 1.00 31.52 H new ATOM 0 HD13 LEU A 16 14.240 -1.881 -12.407 1.00 31.52 H new ATOM 0 HD21 LEU A 16 14.933 0.486 -14.267 1.00 31.24 H new ATOM 0 HD22 LEU A 16 14.284 -1.063 -14.856 1.00 31.24 H new ATOM 0 HD23 LEU A 16 13.454 0.460 -15.257 1.00 31.24 H new ATOM 212 N ALA A 17 9.781 1.027 -12.731 1.00 20.44 N ATOM 213 CA ALA A 17 9.361 2.392 -12.433 1.00 34.13 C ATOM 214 C ALA A 17 8.454 2.431 -11.203 1.00 44.42 C ATOM 215 O ALA A 17 8.707 3.178 -10.254 1.00 15.12 O ATOM 216 CB ALA A 17 8.655 3.000 -13.641 1.00 45.12 C ATOM 0 H ALA A 17 9.488 0.689 -13.648 1.00 20.44 H new ATOM 0 HA ALA A 17 10.249 2.984 -12.212 1.00 34.13 H new ATOM 0 HB1 ALA A 17 8.346 4.019 -13.407 1.00 45.12 H new ATOM 0 HB2 ALA A 17 9.336 3.014 -14.492 1.00 45.12 H new ATOM 0 HB3 ALA A 17 7.778 2.402 -13.888 1.00 45.12 H new ATOM 222 N ASP A 18 7.413 1.600 -11.221 1.00 44.51 N ATOM 223 CA ASP A 18 6.418 1.576 -10.148 1.00 50.33 C ATOM 224 C ASP A 18 7.061 1.224 -8.813 1.00 63.25 C ATOM 225 O ASP A 18 6.853 1.917 -7.819 1.00 0.22 O ATOM 226 CB ASP A 18 5.300 0.572 -10.462 1.00 42.33 C ATOM 227 CG ASP A 18 4.282 0.453 -9.332 1.00 1.22 C ATOM 228 OD1 ASP A 18 3.358 1.296 -9.270 1.00 4.35 O ATOM 229 OD2 ASP A 18 4.402 -0.482 -8.513 1.00 0.21 O ATOM 0 H ASP A 18 7.236 0.931 -11.970 1.00 44.51 H new ATOM 0 HA ASP A 18 5.988 2.575 -10.078 1.00 50.33 H new ATOM 0 HB2 ASP A 18 4.789 0.877 -11.375 1.00 42.33 H new ATOM 0 HB3 ASP A 18 5.740 -0.407 -10.654 1.00 42.33 H new ATOM 234 N VAL A 19 7.871 0.167 -8.798 1.00 52.02 N ATOM 235 CA VAL A 19 8.484 -0.291 -7.557 1.00 23.40 C ATOM 236 C VAL A 19 9.483 0.741 -7.044 1.00 3.35 C ATOM 237 O VAL A 19 9.592 0.952 -5.838 1.00 12.40 O ATOM 238 CB VAL A 19 9.175 -1.679 -7.701 1.00 3.32 C ATOM 239 CG1 VAL A 19 10.577 -1.561 -8.303 1.00 62.21 C ATOM 240 CG2 VAL A 19 9.223 -2.401 -6.354 1.00 51.45 C ATOM 0 H VAL A 19 8.115 -0.382 -9.622 1.00 52.02 H new ATOM 0 HA VAL A 19 7.677 -0.409 -6.834 1.00 23.40 H new ATOM 0 HB VAL A 19 8.575 -2.270 -8.392 1.00 3.32 H new ATOM 0 HG11 VAL A 19 11.022 -2.553 -8.385 1.00 62.21 H new ATOM 0 HG12 VAL A 19 10.511 -1.109 -9.293 1.00 62.21 H new ATOM 0 HG13 VAL A 19 11.198 -0.937 -7.660 1.00 62.21 H new ATOM 0 HG21 VAL A 19 9.710 -3.369 -6.477 1.00 51.45 H new ATOM 0 HG22 VAL A 19 9.785 -1.800 -5.639 1.00 51.45 H new ATOM 0 HG23 VAL A 19 8.208 -2.550 -5.984 1.00 51.45 H new ATOM 250 N GLU A 20 10.200 1.397 -7.962 1.00 41.51 N ATOM 251 CA GLU A 20 11.158 2.429 -7.578 1.00 52.34 C ATOM 252 C GLU A 20 10.437 3.572 -6.874 1.00 61.31 C ATOM 253 O GLU A 20 10.865 4.032 -5.810 1.00 50.33 O ATOM 254 CB GLU A 20 11.926 2.958 -8.797 1.00 10.34 C ATOM 255 CG GLU A 20 12.965 4.020 -8.445 1.00 42.52 C ATOM 256 CD GLU A 20 13.755 4.506 -9.647 1.00 5.22 C ATOM 257 OE1 GLU A 20 13.306 5.464 -10.317 1.00 22.04 O ATOM 258 OE2 GLU A 20 14.835 3.943 -9.921 1.00 54.25 O ATOM 0 H GLU A 20 10.134 1.231 -8.966 1.00 41.51 H new ATOM 0 HA GLU A 20 11.881 1.984 -6.894 1.00 52.34 H new ATOM 0 HB2 GLU A 20 12.423 2.125 -9.294 1.00 10.34 H new ATOM 0 HB3 GLU A 20 11.216 3.377 -9.510 1.00 10.34 H new ATOM 0 HG2 GLU A 20 12.464 4.869 -7.980 1.00 42.52 H new ATOM 0 HG3 GLU A 20 13.655 3.613 -7.705 1.00 42.52 H new ATOM 265 N GLU A 21 9.333 4.020 -7.468 1.00 41.23 N ATOM 266 CA GLU A 21 8.516 5.066 -6.868 1.00 61.23 C ATOM 267 C GLU A 21 7.947 4.593 -5.536 1.00 41.30 C ATOM 268 O GLU A 21 8.117 5.248 -4.506 1.00 33.05 O ATOM 269 CB GLU A 21 7.372 5.464 -7.813 1.00 0.31 C ATOM 270 CG GLU A 21 7.839 6.168 -9.079 1.00 63.42 C ATOM 271 CD GLU A 21 8.611 7.442 -8.778 1.00 14.22 C ATOM 272 OE1 GLU A 21 8.029 8.361 -8.161 1.00 20.52 O ATOM 273 OE2 GLU A 21 9.798 7.532 -9.156 1.00 11.03 O ATOM 0 H GLU A 21 8.986 3.674 -8.363 1.00 41.23 H new ATOM 0 HA GLU A 21 9.147 5.938 -6.695 1.00 61.23 H new ATOM 0 HB2 GLU A 21 6.814 4.570 -8.090 1.00 0.31 H new ATOM 0 HB3 GLU A 21 6.682 6.117 -7.279 1.00 0.31 H new ATOM 0 HG2 GLU A 21 8.469 5.492 -9.657 1.00 63.42 H new ATOM 0 HG3 GLU A 21 6.975 6.407 -9.699 1.00 63.42 H new ATOM 280 N ALA A 22 7.326 3.419 -5.560 1.00 45.11 N ATOM 281 CA ALA A 22 6.663 2.861 -4.391 1.00 52.24 C ATOM 282 C ALA A 22 7.624 2.775 -3.216 1.00 11.24 C ATOM 283 O ALA A 22 7.329 3.251 -2.130 1.00 1.54 O ATOM 284 CB ALA A 22 6.083 1.487 -4.714 1.00 72.13 C ATOM 0 H ALA A 22 7.269 2.829 -6.390 1.00 45.11 H new ATOM 0 HA ALA A 22 5.845 3.524 -4.111 1.00 52.24 H new ATOM 0 HB1 ALA A 22 5.590 1.083 -3.830 1.00 72.13 H new ATOM 0 HB2 ALA A 22 5.358 1.579 -5.523 1.00 72.13 H new ATOM 0 HB3 ALA A 22 6.886 0.816 -5.021 1.00 72.13 H new ATOM 290 N MET A 23 8.792 2.209 -3.451 1.00 11.23 N ATOM 291 CA MET A 23 9.781 2.039 -2.394 1.00 22.00 C ATOM 292 C MET A 23 10.224 3.378 -1.809 1.00 11.15 C ATOM 293 O MET A 23 10.748 3.426 -0.707 1.00 23.03 O ATOM 294 CB MET A 23 11.005 1.305 -2.920 1.00 73.41 C ATOM 295 CG MET A 23 10.756 -0.146 -3.327 1.00 25.01 C ATOM 296 SD MET A 23 10.304 -1.200 -1.936 1.00 2.33 S ATOM 297 CE MET A 23 10.123 -2.781 -2.761 1.00 52.33 C ATOM 0 H MET A 23 9.083 1.858 -4.363 1.00 11.23 H new ATOM 0 HA MET A 23 9.305 1.454 -1.607 1.00 22.00 H new ATOM 0 HB2 MET A 23 11.394 1.848 -3.782 1.00 73.41 H new ATOM 0 HB3 MET A 23 11.780 1.325 -2.154 1.00 73.41 H new ATOM 0 HG2 MET A 23 9.962 -0.177 -4.073 1.00 25.01 H new ATOM 0 HG3 MET A 23 11.653 -0.544 -3.801 1.00 25.01 H new ATOM 0 HE1 MET A 23 9.072 -3.071 -2.766 1.00 52.33 H new ATOM 0 HE2 MET A 23 10.481 -2.699 -3.787 1.00 52.33 H new ATOM 0 HE3 MET A 23 10.705 -3.536 -2.233 1.00 52.33 H new ATOM 307 N ARG A 24 10.018 4.457 -2.553 1.00 2.31 N ATOM 308 CA ARG A 24 10.439 5.791 -2.121 1.00 23.35 C ATOM 309 C ARG A 24 9.249 6.577 -1.582 1.00 54.32 C ATOM 310 O ARG A 24 9.415 7.595 -0.910 1.00 64.33 O ATOM 311 CB ARG A 24 11.065 6.533 -3.315 1.00 71.33 C ATOM 312 CG ARG A 24 11.418 7.993 -3.045 1.00 60.31 C ATOM 313 CD ARG A 24 11.774 8.731 -4.331 1.00 50.44 C ATOM 314 NE ARG A 24 11.923 10.174 -4.117 1.00 23.40 N ATOM 315 CZ ARG A 24 11.031 11.090 -4.508 1.00 73.04 C ATOM 316 NH1 ARG A 24 9.890 10.714 -5.076 1.00 13.11 N ATOM 317 NH2 ARG A 24 11.275 12.377 -4.313 1.00 4.41 N ATOM 0 H ARG A 24 9.560 4.438 -3.464 1.00 2.31 H new ATOM 0 HA ARG A 24 11.175 5.695 -1.323 1.00 23.35 H new ATOM 0 HB2 ARG A 24 11.969 6.005 -3.620 1.00 71.33 H new ATOM 0 HB3 ARG A 24 10.372 6.490 -4.155 1.00 71.33 H new ATOM 0 HG2 ARG A 24 10.576 8.488 -2.562 1.00 60.31 H new ATOM 0 HG3 ARG A 24 12.258 8.043 -2.352 1.00 60.31 H new ATOM 0 HD2 ARG A 24 12.703 8.327 -4.735 1.00 50.44 H new ATOM 0 HD3 ARG A 24 10.999 8.554 -5.076 1.00 50.44 H new ATOM 0 HE ARG A 24 12.762 10.500 -3.638 1.00 23.40 H new ATOM 0 HH11 ARG A 24 9.692 9.723 -5.215 1.00 13.11 H new ATOM 0 HH12 ARG A 24 9.212 11.416 -5.373 1.00 13.11 H new ATOM 0 HH21 ARG A 24 12.143 12.669 -3.865 1.00 4.41 H new ATOM 0 HH22 ARG A 24 10.595 13.076 -4.611 1.00 4.41 H new ATOM 331 N ASP A 25 8.044 6.084 -1.842 1.00 63.43 N ATOM 332 CA ASP A 25 6.843 6.871 -1.601 1.00 54.23 C ATOM 333 C ASP A 25 5.960 6.166 -0.591 1.00 11.41 C ATOM 334 O ASP A 25 4.999 6.730 -0.085 1.00 25.02 O ATOM 335 CB ASP A 25 6.094 7.081 -2.927 1.00 72.42 C ATOM 336 CG ASP A 25 5.135 8.258 -2.885 1.00 24.24 C ATOM 337 OD1 ASP A 25 5.615 9.413 -2.871 1.00 44.15 O ATOM 338 OD2 ASP A 25 3.906 8.043 -2.912 1.00 74.15 O ATOM 0 H ASP A 25 7.874 5.151 -2.217 1.00 63.43 H new ATOM 0 HA ASP A 25 7.118 7.845 -1.196 1.00 54.23 H new ATOM 0 HB2 ASP A 25 6.818 7.237 -3.727 1.00 72.42 H new ATOM 0 HB3 ASP A 25 5.539 6.175 -3.172 1.00 72.42 H new ATOM 343 N VAL A 26 6.315 4.924 -0.290 1.00 53.03 N ATOM 344 CA VAL A 26 5.518 4.081 0.588 1.00 41.01 C ATOM 345 C VAL A 26 6.315 3.703 1.835 1.00 0.22 C ATOM 346 O VAL A 26 5.754 3.324 2.867 1.00 14.30 O ATOM 347 CB VAL A 26 5.067 2.810 -0.179 1.00 10.15 C ATOM 348 CG1 VAL A 26 4.404 1.812 0.748 1.00 52.05 C ATOM 349 CG2 VAL A 26 4.133 3.181 -1.333 1.00 53.22 C ATOM 0 H VAL A 26 7.159 4.475 -0.646 1.00 53.03 H new ATOM 0 HA VAL A 26 4.634 4.634 0.907 1.00 41.01 H new ATOM 0 HB VAL A 26 5.957 2.336 -0.593 1.00 10.15 H new ATOM 0 HG11 VAL A 26 4.100 0.933 0.179 1.00 52.05 H new ATOM 0 HG12 VAL A 26 5.107 1.515 1.526 1.00 52.05 H new ATOM 0 HG13 VAL A 26 3.527 2.269 1.207 1.00 52.05 H new ATOM 0 HG21 VAL A 26 3.827 2.277 -1.859 1.00 53.22 H new ATOM 0 HG22 VAL A 26 3.252 3.687 -0.939 1.00 53.22 H new ATOM 0 HG23 VAL A 26 4.654 3.844 -2.024 1.00 53.22 H new ATOM 359 N VAL A 27 7.631 3.824 1.730 1.00 24.52 N ATOM 360 CA VAL A 27 8.537 3.487 2.822 1.00 1.33 C ATOM 361 C VAL A 27 8.552 4.599 3.870 1.00 3.43 C ATOM 362 O VAL A 27 8.103 5.717 3.603 1.00 75.34 O ATOM 363 CB VAL A 27 9.982 3.283 2.285 1.00 62.34 C ATOM 364 CG1 VAL A 27 10.590 4.616 1.848 1.00 3.54 C ATOM 365 CG2 VAL A 27 10.873 2.596 3.314 1.00 23.11 C ATOM 0 H VAL A 27 8.101 4.158 0.888 1.00 24.52 H new ATOM 0 HA VAL A 27 8.182 2.563 3.278 1.00 1.33 H new ATOM 0 HB VAL A 27 9.919 2.629 1.415 1.00 62.34 H new ATOM 0 HG11 VAL A 27 11.601 4.450 1.476 1.00 3.54 H new ATOM 0 HG12 VAL A 27 9.979 5.053 1.058 1.00 3.54 H new ATOM 0 HG13 VAL A 27 10.624 5.297 2.699 1.00 3.54 H new ATOM 0 HG21 VAL A 27 11.875 2.471 2.902 1.00 23.11 H new ATOM 0 HG22 VAL A 27 10.925 3.206 4.216 1.00 23.11 H new ATOM 0 HG23 VAL A 27 10.457 1.619 3.561 1.00 23.11 H new ATOM 375 N ASP A 28 9.055 4.284 5.056 1.00 44.40 N ATOM 376 CA ASP A 28 9.401 5.295 6.044 1.00 3.30 C ATOM 377 C ASP A 28 10.919 5.467 6.005 1.00 24.14 C ATOM 378 O ASP A 28 11.648 4.771 6.718 1.00 2.44 O ATOM 379 CB ASP A 28 8.938 4.864 7.449 1.00 11.11 C ATOM 380 CG ASP A 28 9.104 5.960 8.505 1.00 33.23 C ATOM 381 OD1 ASP A 28 8.089 6.379 9.102 1.00 15.12 O ATOM 382 OD2 ASP A 28 10.252 6.398 8.746 1.00 1.24 O ATOM 0 H ASP A 28 9.234 3.326 5.358 1.00 44.40 H new ATOM 0 HA ASP A 28 8.903 6.238 5.817 1.00 3.30 H new ATOM 0 HB2 ASP A 28 7.890 4.569 7.404 1.00 11.11 H new ATOM 0 HB3 ASP A 28 9.504 3.985 7.756 1.00 11.11 H new ATOM 387 N PRO A 29 11.429 6.354 5.125 1.00 11.31 N ATOM 388 CA PRO A 29 12.861 6.475 4.888 1.00 55.11 C ATOM 389 C PRO A 29 13.542 7.344 5.944 1.00 41.21 C ATOM 390 O PRO A 29 14.770 7.413 6.007 1.00 45.20 O ATOM 391 CB PRO A 29 12.934 7.096 3.483 1.00 3.03 C ATOM 392 CG PRO A 29 11.644 7.837 3.289 1.00 51.22 C ATOM 393 CD PRO A 29 10.657 7.322 4.321 1.00 2.01 C ATOM 0 HA PRO A 29 13.386 5.522 4.952 1.00 55.11 H new ATOM 0 HB2 PRO A 29 13.787 7.769 3.398 1.00 3.03 H new ATOM 0 HB3 PRO A 29 13.059 6.326 2.722 1.00 3.03 H new ATOM 0 HG2 PRO A 29 11.797 8.910 3.408 1.00 51.22 H new ATOM 0 HG3 PRO A 29 11.260 7.680 2.281 1.00 51.22 H new ATOM 0 HD2 PRO A 29 10.271 8.132 4.939 1.00 2.01 H new ATOM 0 HD3 PRO A 29 9.799 6.847 3.846 1.00 2.01 H new ATOM 401 N GLU A 30 12.728 7.996 6.771 1.00 31.53 N ATOM 402 CA GLU A 30 13.230 8.763 7.905 1.00 74.15 C ATOM 403 C GLU A 30 13.807 7.830 8.967 1.00 65.25 C ATOM 404 O GLU A 30 14.978 7.950 9.341 1.00 13.20 O ATOM 405 CB GLU A 30 12.114 9.641 8.497 1.00 10.23 C ATOM 406 CG GLU A 30 11.960 10.996 7.803 1.00 72.32 C ATOM 407 CD GLU A 30 11.868 10.896 6.287 1.00 30.45 C ATOM 408 OE1 GLU A 30 12.921 11.003 5.613 1.00 64.50 O ATOM 409 OE2 GLU A 30 10.749 10.722 5.760 1.00 51.42 O ATOM 0 H GLU A 30 11.713 8.007 6.675 1.00 31.53 H new ATOM 0 HA GLU A 30 14.029 9.417 7.555 1.00 74.15 H new ATOM 0 HB2 GLU A 30 11.169 9.102 8.434 1.00 10.23 H new ATOM 0 HB3 GLU A 30 12.317 9.806 9.555 1.00 10.23 H new ATOM 0 HG2 GLU A 30 11.065 11.489 8.181 1.00 72.32 H new ATOM 0 HG3 GLU A 30 12.808 11.628 8.066 1.00 72.32 H new ATOM 416 N LEU A 31 12.991 6.899 9.444 1.00 23.54 N ATOM 417 CA LEU A 31 13.429 5.935 10.450 1.00 55.12 C ATOM 418 C LEU A 31 14.075 4.719 9.783 1.00 30.13 C ATOM 419 O LEU A 31 14.816 3.969 10.423 1.00 4.42 O ATOM 420 CB LEU A 31 12.239 5.506 11.320 1.00 13.34 C ATOM 421 CG LEU A 31 11.595 6.625 12.157 1.00 10.31 C ATOM 422 CD1 LEU A 31 10.366 6.104 12.902 1.00 11.22 C ATOM 423 CD2 LEU A 31 12.610 7.215 13.134 1.00 55.33 C ATOM 0 H LEU A 31 12.020 6.789 9.151 1.00 23.54 H new ATOM 0 HA LEU A 31 14.175 6.408 11.088 1.00 55.12 H new ATOM 0 HB2 LEU A 31 11.475 5.074 10.673 1.00 13.34 H new ATOM 0 HB3 LEU A 31 12.570 4.716 11.994 1.00 13.34 H new ATOM 0 HG LEU A 31 11.271 7.416 11.481 1.00 10.31 H new ATOM 0 HD11 LEU A 31 9.926 6.911 13.488 1.00 11.22 H new ATOM 0 HD12 LEU A 31 9.634 5.736 12.183 1.00 11.22 H new ATOM 0 HD13 LEU A 31 10.661 5.292 13.567 1.00 11.22 H new ATOM 0 HD21 LEU A 31 12.137 8.005 13.717 1.00 55.33 H new ATOM 0 HD22 LEU A 31 12.967 6.433 13.804 1.00 55.33 H new ATOM 0 HD23 LEU A 31 13.452 7.629 12.579 1.00 55.33 H new ATOM 435 N GLY A 32 13.791 4.539 8.494 1.00 34.21 N ATOM 436 CA GLY A 32 14.444 3.498 7.715 1.00 40.11 C ATOM 437 C GLY A 32 13.725 2.158 7.770 1.00 62.15 C ATOM 438 O GLY A 32 14.369 1.111 7.856 1.00 11.14 O ATOM 0 H GLY A 32 13.116 5.099 7.973 1.00 34.21 H new ATOM 0 HA2 GLY A 32 14.513 3.822 6.677 1.00 40.11 H new ATOM 0 HA3 GLY A 32 15.464 3.369 8.078 1.00 40.11 H new ATOM 442 N ILE A 33 12.390 2.179 7.725 1.00 40.13 N ATOM 443 CA ILE A 33 11.602 0.941 7.705 1.00 75.21 C ATOM 444 C ILE A 33 10.616 0.962 6.540 1.00 11.34 C ATOM 445 O ILE A 33 10.021 1.993 6.239 1.00 24.22 O ATOM 446 CB ILE A 33 10.787 0.700 9.012 1.00 45.45 C ATOM 447 CG1 ILE A 33 11.673 0.808 10.266 1.00 74.22 C ATOM 448 CG2 ILE A 33 10.086 -0.660 8.971 1.00 2.11 C ATOM 449 CD1 ILE A 33 11.893 2.229 10.726 1.00 14.53 C ATOM 0 H ILE A 33 11.834 3.034 7.702 1.00 40.13 H new ATOM 0 HA ILE A 33 12.328 0.134 7.603 1.00 75.21 H new ATOM 0 HB ILE A 33 10.031 1.483 9.072 1.00 45.45 H new ATOM 0 HG12 ILE A 33 11.215 0.239 11.075 1.00 74.22 H new ATOM 0 HG13 ILE A 33 12.639 0.347 10.060 1.00 74.22 H new ATOM 0 HG21 ILE A 33 9.523 -0.807 9.893 1.00 2.11 H new ATOM 0 HG22 ILE A 33 9.405 -0.693 8.121 1.00 2.11 H new ATOM 0 HG23 ILE A 33 10.830 -1.450 8.870 1.00 2.11 H new ATOM 0 HD11 ILE A 33 12.526 2.230 11.614 1.00 14.53 H new ATOM 0 HD12 ILE A 33 12.379 2.797 9.933 1.00 14.53 H new ATOM 0 HD13 ILE A 33 10.933 2.687 10.964 1.00 14.53 H new ATOM 461 N ASN A 34 10.451 -0.179 5.890 1.00 63.33 N ATOM 462 CA ASN A 34 9.445 -0.337 4.848 1.00 63.43 C ATOM 463 C ASN A 34 8.251 -1.081 5.438 1.00 41.54 C ATOM 464 O ASN A 34 8.421 -1.917 6.317 1.00 21.24 O ATOM 465 CB ASN A 34 10.018 -1.114 3.654 1.00 50.31 C ATOM 466 CG ASN A 34 9.078 -1.114 2.459 1.00 2.54 C ATOM 467 OD1 ASN A 34 8.155 -1.919 2.383 1.00 20.44 O ATOM 468 ND2 ASN A 34 9.319 -0.221 1.508 1.00 35.53 N ATOM 0 H ASN A 34 11.005 -1.017 6.067 1.00 63.33 H new ATOM 0 HA ASN A 34 9.134 0.644 4.489 1.00 63.43 H new ATOM 0 HB2 ASN A 34 10.972 -0.675 3.362 1.00 50.31 H new ATOM 0 HB3 ASN A 34 10.219 -2.142 3.955 1.00 50.31 H new ATOM 0 HD21 ASN A 34 8.727 -0.188 0.678 1.00 35.53 H new ATOM 0 HD22 ASN A 34 10.096 0.432 1.607 1.00 35.53 H new ATOM 475 N VAL A 35 7.053 -0.781 4.961 1.00 53.33 N ATOM 476 CA VAL A 35 5.841 -1.398 5.502 1.00 13.45 C ATOM 477 C VAL A 35 5.894 -2.930 5.373 1.00 31.32 C ATOM 478 O VAL A 35 5.457 -3.660 6.271 1.00 31.44 O ATOM 479 CB VAL A 35 4.575 -0.833 4.809 1.00 33.23 C ATOM 480 CG1 VAL A 35 4.457 0.673 5.074 1.00 50.04 C ATOM 481 CG2 VAL A 35 4.590 -1.123 3.307 1.00 45.13 C ATOM 0 H VAL A 35 6.889 -0.118 4.204 1.00 53.33 H new ATOM 0 HA VAL A 35 5.787 -1.151 6.562 1.00 13.45 H new ATOM 0 HB VAL A 35 3.702 -1.331 5.230 1.00 33.23 H new ATOM 0 HG11 VAL A 35 3.564 1.060 4.583 1.00 50.04 H new ATOM 0 HG12 VAL A 35 4.386 0.849 6.147 1.00 50.04 H new ATOM 0 HG13 VAL A 35 5.337 1.182 4.681 1.00 50.04 H new ATOM 0 HG21 VAL A 35 3.689 -0.715 2.849 1.00 45.13 H new ATOM 0 HG22 VAL A 35 5.468 -0.661 2.856 1.00 45.13 H new ATOM 0 HG23 VAL A 35 4.623 -2.200 3.145 1.00 45.13 H new ATOM 491 N VAL A 36 6.481 -3.408 4.274 1.00 52.41 N ATOM 492 CA VAL A 36 6.625 -4.843 4.025 1.00 42.10 C ATOM 493 C VAL A 36 7.397 -5.521 5.161 1.00 62.31 C ATOM 494 O VAL A 36 7.235 -6.717 5.403 1.00 61.43 O ATOM 495 CB VAL A 36 7.332 -5.113 2.669 1.00 51.42 C ATOM 496 CG1 VAL A 36 7.494 -6.614 2.413 1.00 70.41 C ATOM 497 CG2 VAL A 36 6.561 -4.448 1.527 1.00 3.32 C ATOM 0 H VAL A 36 6.867 -2.817 3.538 1.00 52.41 H new ATOM 0 HA VAL A 36 5.622 -5.267 3.980 1.00 42.10 H new ATOM 0 HB VAL A 36 8.330 -4.678 2.716 1.00 51.42 H new ATOM 0 HG11 VAL A 36 7.992 -6.768 1.456 1.00 70.41 H new ATOM 0 HG12 VAL A 36 8.093 -7.056 3.209 1.00 70.41 H new ATOM 0 HG13 VAL A 36 6.512 -7.087 2.391 1.00 70.41 H new ATOM 0 HG21 VAL A 36 7.068 -4.645 0.582 1.00 3.32 H new ATOM 0 HG22 VAL A 36 5.549 -4.852 1.487 1.00 3.32 H new ATOM 0 HG23 VAL A 36 6.516 -3.372 1.697 1.00 3.32 H new ATOM 507 N ASP A 37 8.218 -4.739 5.866 1.00 10.32 N ATOM 508 CA ASP A 37 9.031 -5.242 6.980 1.00 62.31 C ATOM 509 C ASP A 37 8.155 -5.880 8.062 1.00 33.44 C ATOM 510 O ASP A 37 8.595 -6.792 8.771 1.00 2.45 O ATOM 511 CB ASP A 37 9.865 -4.101 7.580 1.00 63.10 C ATOM 512 CG ASP A 37 10.787 -4.554 8.705 1.00 42.41 C ATOM 513 OD1 ASP A 37 11.919 -4.996 8.407 1.00 10.21 O ATOM 514 OD2 ASP A 37 10.401 -4.441 9.887 1.00 45.11 O ATOM 0 H ASP A 37 8.339 -3.743 5.683 1.00 10.32 H new ATOM 0 HA ASP A 37 9.700 -6.010 6.592 1.00 62.31 H new ATOM 0 HB2 ASP A 37 10.463 -3.644 6.791 1.00 63.10 H new ATOM 0 HB3 ASP A 37 9.194 -3.330 7.958 1.00 63.10 H new ATOM 519 N LEU A 38 6.907 -5.415 8.173 1.00 10.13 N ATOM 520 CA LEU A 38 5.962 -5.970 9.154 1.00 33.20 C ATOM 521 C LEU A 38 5.611 -7.417 8.793 1.00 13.13 C ATOM 522 O LEU A 38 5.053 -8.162 9.602 1.00 64.20 O ATOM 523 CB LEU A 38 4.682 -5.115 9.225 1.00 61.03 C ATOM 524 CG LEU A 38 4.807 -3.765 9.963 1.00 3.53 C ATOM 525 CD1 LEU A 38 5.218 -3.981 11.418 1.00 44.34 C ATOM 526 CD2 LEU A 38 5.789 -2.829 9.259 1.00 23.21 C ATOM 0 H LEU A 38 6.527 -4.661 7.601 1.00 10.13 H new ATOM 0 HA LEU A 38 6.439 -5.956 10.134 1.00 33.20 H new ATOM 0 HB2 LEU A 38 4.343 -4.920 8.208 1.00 61.03 H new ATOM 0 HB3 LEU A 38 3.904 -5.702 9.713 1.00 61.03 H new ATOM 0 HG LEU A 38 3.827 -3.289 9.947 1.00 3.53 H new ATOM 0 HD11 LEU A 38 5.300 -3.017 11.920 1.00 44.34 H new ATOM 0 HD12 LEU A 38 4.467 -4.589 11.922 1.00 44.34 H new ATOM 0 HD13 LEU A 38 6.181 -4.491 11.452 1.00 44.34 H new ATOM 0 HD21 LEU A 38 5.851 -1.889 9.807 1.00 23.21 H new ATOM 0 HD22 LEU A 38 6.774 -3.295 9.224 1.00 23.21 H new ATOM 0 HD23 LEU A 38 5.443 -2.635 8.244 1.00 23.21 H new ATOM 538 N GLY A 39 5.934 -7.782 7.559 1.00 44.00 N ATOM 539 CA GLY A 39 5.712 -9.124 7.043 1.00 24.45 C ATOM 540 C GLY A 39 4.267 -9.578 7.106 1.00 73.04 C ATOM 541 O GLY A 39 3.985 -10.775 7.088 1.00 31.23 O ATOM 0 H GLY A 39 6.361 -7.148 6.883 1.00 44.00 H new ATOM 0 HA2 GLY A 39 6.050 -9.164 6.007 1.00 24.45 H new ATOM 0 HA3 GLY A 39 6.327 -9.825 7.607 1.00 24.45 H new ATOM 545 N LEU A 40 3.355 -8.617 7.174 1.00 5.32 N ATOM 546 CA LEU A 40 1.930 -8.875 6.990 1.00 35.43 C ATOM 547 C LEU A 40 1.557 -8.512 5.550 1.00 14.42 C ATOM 548 O LEU A 40 0.678 -9.118 4.935 1.00 54.40 O ATOM 549 CB LEU A 40 1.120 -8.059 8.023 1.00 10.51 C ATOM 550 CG LEU A 40 -0.355 -8.470 8.248 1.00 43.13 C ATOM 551 CD1 LEU A 40 -1.252 -8.009 7.106 1.00 73.45 C ATOM 552 CD2 LEU A 40 -0.479 -9.979 8.446 1.00 32.45 C ATOM 0 H LEU A 40 3.580 -7.639 7.358 1.00 5.32 H new ATOM 0 HA LEU A 40 1.697 -9.927 7.153 1.00 35.43 H new ATOM 0 HB2 LEU A 40 1.637 -8.118 8.981 1.00 10.51 H new ATOM 0 HB3 LEU A 40 1.136 -7.013 7.716 1.00 10.51 H new ATOM 0 HG LEU A 40 -0.691 -7.971 9.157 1.00 43.13 H new ATOM 0 HD11 LEU A 40 -2.279 -8.317 7.303 1.00 73.45 H new ATOM 0 HD12 LEU A 40 -1.209 -6.923 7.025 1.00 73.45 H new ATOM 0 HD13 LEU A 40 -0.911 -8.456 6.172 1.00 73.45 H new ATOM 0 HD21 LEU A 40 -1.526 -10.241 8.602 1.00 32.45 H new ATOM 0 HD22 LEU A 40 -0.104 -10.494 7.562 1.00 32.45 H new ATOM 0 HD23 LEU A 40 0.104 -10.281 9.316 1.00 32.45 H new ATOM 564 N VAL A 41 2.306 -7.549 5.007 1.00 42.22 N ATOM 565 CA VAL A 41 2.002 -6.929 3.716 1.00 10.24 C ATOM 566 C VAL A 41 2.229 -7.902 2.550 1.00 14.43 C ATOM 567 O VAL A 41 2.054 -7.547 1.386 1.00 63.23 O ATOM 568 CB VAL A 41 2.853 -5.643 3.518 1.00 43.25 C ATOM 569 CG1 VAL A 41 2.389 -4.839 2.301 1.00 75.22 C ATOM 570 CG2 VAL A 41 2.812 -4.782 4.780 1.00 10.41 C ATOM 0 H VAL A 41 3.144 -7.176 5.453 1.00 42.22 H new ATOM 0 HA VAL A 41 0.946 -6.660 3.722 1.00 10.24 H new ATOM 0 HB VAL A 41 3.882 -5.950 3.333 1.00 43.25 H new ATOM 0 HG11 VAL A 41 3.008 -3.948 2.196 1.00 75.22 H new ATOM 0 HG12 VAL A 41 2.480 -5.452 1.404 1.00 75.22 H new ATOM 0 HG13 VAL A 41 1.348 -4.544 2.435 1.00 75.22 H new ATOM 0 HG21 VAL A 41 3.412 -3.885 4.628 1.00 10.41 H new ATOM 0 HG22 VAL A 41 1.782 -4.498 4.993 1.00 10.41 H new ATOM 0 HG23 VAL A 41 3.213 -5.349 5.620 1.00 10.41 H new ATOM 580 N TYR A 42 2.619 -9.135 2.864 1.00 72.23 N ATOM 581 CA TYR A 42 2.679 -10.189 1.852 1.00 14.34 C ATOM 582 C TYR A 42 1.269 -10.479 1.340 1.00 24.03 C ATOM 583 O TYR A 42 1.085 -10.991 0.233 1.00 34.42 O ATOM 584 CB TYR A 42 3.308 -11.470 2.422 1.00 21.13 C ATOM 585 CG TYR A 42 4.800 -11.373 2.688 1.00 3.21 C ATOM 586 CD1 TYR A 42 5.726 -11.930 1.805 1.00 43.51 C ATOM 587 CD2 TYR A 42 5.285 -10.735 3.823 1.00 54.45 C ATOM 588 CE1 TYR A 42 7.084 -11.855 2.052 1.00 23.11 C ATOM 589 CE2 TYR A 42 6.640 -10.654 4.071 1.00 70.10 C ATOM 590 CZ TYR A 42 7.535 -11.214 3.186 1.00 0.23 C ATOM 591 OH TYR A 42 8.884 -11.137 3.443 1.00 43.03 O ATOM 0 H TYR A 42 2.896 -9.428 3.801 1.00 72.23 H new ATOM 0 HA TYR A 42 3.306 -9.847 1.029 1.00 14.34 H new ATOM 0 HB2 TYR A 42 2.801 -11.726 3.353 1.00 21.13 H new ATOM 0 HB3 TYR A 42 3.128 -12.289 1.726 1.00 21.13 H new ATOM 0 HD1 TYR A 42 5.376 -12.428 0.913 1.00 43.51 H new ATOM 0 HD2 TYR A 42 4.590 -10.295 4.523 1.00 54.45 H new ATOM 0 HE1 TYR A 42 7.787 -12.296 1.361 1.00 23.11 H new ATOM 0 HE2 TYR A 42 6.998 -10.152 4.958 1.00 70.10 H new ATOM 0 HH TYR A 42 9.030 -10.651 4.282 1.00 43.03 H new ATOM 601 N GLY A 43 0.280 -10.135 2.164 1.00 73.21 N ATOM 602 CA GLY A 43 -1.108 -10.305 1.791 1.00 14.42 C ATOM 603 C GLY A 43 -1.574 -9.241 0.816 1.00 20.55 C ATOM 604 O GLY A 43 -2.312 -8.326 1.184 1.00 73.12 O ATOM 0 H GLY A 43 0.423 -9.738 3.092 1.00 73.21 H new ATOM 0 HA2 GLY A 43 -1.244 -11.290 1.344 1.00 14.42 H new ATOM 0 HA3 GLY A 43 -1.729 -10.273 2.686 1.00 14.42 H new ATOM 608 N LEU A 44 -1.111 -9.339 -0.425 1.00 10.22 N ATOM 609 CA LEU A 44 -1.573 -8.461 -1.495 1.00 40.32 C ATOM 610 C LEU A 44 -2.445 -9.262 -2.455 1.00 40.42 C ATOM 611 O LEU A 44 -1.987 -10.257 -3.030 1.00 32.31 O ATOM 612 CB LEU A 44 -0.377 -7.855 -2.248 1.00 33.12 C ATOM 613 CG LEU A 44 0.592 -7.024 -1.387 1.00 43.55 C ATOM 614 CD1 LEU A 44 1.755 -6.500 -2.228 1.00 14.23 C ATOM 615 CD2 LEU A 44 -0.143 -5.873 -0.703 1.00 52.14 C ATOM 0 H LEU A 44 -0.412 -10.022 -0.717 1.00 10.22 H new ATOM 0 HA LEU A 44 -2.154 -7.645 -1.065 1.00 40.32 H new ATOM 0 HB2 LEU A 44 0.183 -8.664 -2.717 1.00 33.12 H new ATOM 0 HB3 LEU A 44 -0.757 -7.223 -3.051 1.00 33.12 H new ATOM 0 HG LEU A 44 1.000 -7.675 -0.614 1.00 43.55 H new ATOM 0 HD11 LEU A 44 2.426 -5.916 -1.598 1.00 14.23 H new ATOM 0 HD12 LEU A 44 2.301 -7.340 -2.658 1.00 14.23 H new ATOM 0 HD13 LEU A 44 1.370 -5.870 -3.029 1.00 14.23 H new ATOM 0 HD21 LEU A 44 0.561 -5.299 -0.100 1.00 52.14 H new ATOM 0 HD22 LEU A 44 -0.587 -5.224 -1.458 1.00 52.14 H new ATOM 0 HD23 LEU A 44 -0.928 -6.273 -0.062 1.00 52.14 H new ATOM 627 N ASP A 45 -3.694 -8.839 -2.631 1.00 44.34 N ATOM 628 CA ASP A 45 -4.635 -9.568 -3.465 1.00 20.10 C ATOM 629 C ASP A 45 -5.395 -8.602 -4.359 1.00 2.33 C ATOM 630 O ASP A 45 -6.224 -7.832 -3.890 1.00 64.33 O ATOM 631 CB ASP A 45 -5.597 -10.360 -2.570 1.00 14.42 C ATOM 632 CG ASP A 45 -6.594 -11.197 -3.353 1.00 74.22 C ATOM 633 OD1 ASP A 45 -6.169 -12.142 -4.056 1.00 51.20 O ATOM 634 OD2 ASP A 45 -7.808 -10.945 -3.240 1.00 64.20 O ATOM 0 H ASP A 45 -4.075 -7.994 -2.205 1.00 44.34 H new ATOM 0 HA ASP A 45 -4.096 -10.266 -4.105 1.00 20.10 H new ATOM 0 HB2 ASP A 45 -5.019 -11.013 -1.916 1.00 14.42 H new ATOM 0 HB3 ASP A 45 -6.140 -9.666 -1.929 1.00 14.42 H new ATOM 639 N VAL A 46 -5.098 -8.632 -5.647 1.00 24.54 N ATOM 640 CA VAL A 46 -5.730 -7.730 -6.599 1.00 50.30 C ATOM 641 C VAL A 46 -6.678 -8.516 -7.497 1.00 53.45 C ATOM 642 O VAL A 46 -6.282 -9.511 -8.109 1.00 43.23 O ATOM 643 CB VAL A 46 -4.681 -6.987 -7.462 1.00 34.12 C ATOM 644 CG1 VAL A 46 -5.353 -5.983 -8.398 1.00 73.31 C ATOM 645 CG2 VAL A 46 -3.634 -6.309 -6.577 1.00 65.32 C ATOM 0 H VAL A 46 -4.421 -9.273 -6.060 1.00 24.54 H new ATOM 0 HA VAL A 46 -6.289 -6.982 -6.037 1.00 50.30 H new ATOM 0 HB VAL A 46 -4.168 -7.722 -8.082 1.00 34.12 H new ATOM 0 HG11 VAL A 46 -4.594 -5.475 -8.993 1.00 73.31 H new ATOM 0 HG12 VAL A 46 -6.042 -6.508 -9.060 1.00 73.31 H new ATOM 0 HG13 VAL A 46 -5.904 -5.249 -7.810 1.00 73.31 H new ATOM 0 HG21 VAL A 46 -2.907 -5.793 -7.204 1.00 65.32 H new ATOM 0 HG22 VAL A 46 -4.123 -5.589 -5.921 1.00 65.32 H new ATOM 0 HG23 VAL A 46 -3.125 -7.061 -5.975 1.00 65.32 H new ATOM 655 N GLN A 47 -7.922 -8.071 -7.563 1.00 52.11 N ATOM 656 CA GLN A 47 -8.961 -8.765 -8.314 1.00 22.23 C ATOM 657 C GLN A 47 -9.297 -8.007 -9.597 1.00 55.23 C ATOM 658 O GLN A 47 -9.417 -6.778 -9.590 1.00 24.42 O ATOM 659 CB GLN A 47 -10.215 -8.926 -7.442 1.00 74.25 C ATOM 660 CG GLN A 47 -9.999 -9.799 -6.208 1.00 0.22 C ATOM 661 CD GLN A 47 -9.648 -11.238 -6.558 1.00 24.23 C ATOM 662 OE1 GLN A 47 -10.074 -11.764 -7.589 1.00 21.43 O ATOM 663 NE2 GLN A 47 -8.880 -11.887 -5.704 1.00 24.21 N ATOM 0 H GLN A 47 -8.242 -7.221 -7.099 1.00 52.11 H new ATOM 0 HA GLN A 47 -8.592 -9.753 -8.591 1.00 22.23 H new ATOM 0 HB2 GLN A 47 -10.554 -7.940 -7.123 1.00 74.25 H new ATOM 0 HB3 GLN A 47 -11.013 -9.358 -8.046 1.00 74.25 H new ATOM 0 HG2 GLN A 47 -9.200 -9.372 -5.602 1.00 0.22 H new ATOM 0 HG3 GLN A 47 -10.902 -9.788 -5.598 1.00 0.22 H new ATOM 0 HE21 GLN A 47 -8.546 -11.419 -4.861 1.00 24.21 H new ATOM 0 HE22 GLN A 47 -8.620 -12.856 -5.887 1.00 24.21 H new ATOM 672 N ASP A 48 -9.431 -8.747 -10.694 1.00 51.02 N ATOM 673 CA ASP A 48 -9.788 -8.172 -11.990 1.00 14.24 C ATOM 674 C ASP A 48 -11.299 -8.199 -12.194 1.00 64.51 C ATOM 675 O ASP A 48 -11.990 -9.091 -11.696 1.00 73.34 O ATOM 676 CB ASP A 48 -9.110 -8.944 -13.133 1.00 70.00 C ATOM 677 CG ASP A 48 -7.621 -8.652 -13.257 1.00 14.23 C ATOM 678 OD1 ASP A 48 -7.214 -7.991 -14.237 1.00 22.24 O ATOM 679 OD2 ASP A 48 -6.849 -9.093 -12.383 1.00 33.23 O ATOM 0 H ASP A 48 -9.296 -9.758 -10.711 1.00 51.02 H new ATOM 0 HA ASP A 48 -9.442 -7.138 -12.000 1.00 14.24 H new ATOM 0 HB2 ASP A 48 -9.251 -10.013 -12.974 1.00 70.00 H new ATOM 0 HB3 ASP A 48 -9.602 -8.694 -14.073 1.00 70.00 H new ATOM 684 N GLY A 49 -11.803 -7.208 -12.916 1.00 53.33 N ATOM 685 CA GLY A 49 -13.206 -7.160 -13.278 1.00 41.22 C ATOM 686 C GLY A 49 -13.441 -6.157 -14.383 1.00 24.13 C ATOM 687 O GLY A 49 -12.523 -5.422 -14.753 1.00 35.34 O ATOM 0 H GLY A 49 -11.253 -6.422 -13.263 1.00 53.33 H new ATOM 0 HA2 GLY A 49 -13.537 -8.147 -13.600 1.00 41.22 H new ATOM 0 HA3 GLY A 49 -13.802 -6.893 -12.406 1.00 41.22 H new ATOM 691 N ASP A 50 -14.662 -6.100 -14.910 1.00 40.40 N ATOM 692 CA ASP A 50 -14.976 -5.160 -15.987 1.00 23.40 C ATOM 693 C ASP A 50 -14.974 -3.729 -15.449 1.00 32.41 C ATOM 694 O ASP A 50 -14.872 -2.770 -16.211 1.00 42.30 O ATOM 695 CB ASP A 50 -16.323 -5.487 -16.647 1.00 4.32 C ATOM 696 CG ASP A 50 -17.519 -5.193 -15.755 1.00 12.23 C ATOM 697 OD1 ASP A 50 -18.094 -4.087 -15.866 1.00 34.02 O ATOM 698 OD2 ASP A 50 -17.895 -6.070 -14.947 1.00 2.41 O ATOM 0 H ASP A 50 -15.443 -6.686 -14.614 1.00 40.40 H new ATOM 0 HA ASP A 50 -14.206 -5.254 -16.753 1.00 23.40 H new ATOM 0 HB2 ASP A 50 -16.417 -4.913 -17.569 1.00 4.32 H new ATOM 0 HB3 ASP A 50 -16.337 -6.541 -16.925 1.00 4.32 H new ATOM 703 N GLU A 51 -15.086 -3.606 -14.127 1.00 24.12 N ATOM 704 CA GLU A 51 -14.948 -2.319 -13.442 1.00 23.04 C ATOM 705 C GLU A 51 -13.498 -1.843 -13.533 1.00 65.30 C ATOM 706 O GLU A 51 -13.217 -0.643 -13.591 1.00 53.54 O ATOM 707 CB GLU A 51 -15.357 -2.469 -11.965 1.00 2.01 C ATOM 708 CG GLU A 51 -15.229 -1.192 -11.132 1.00 2.51 C ATOM 709 CD GLU A 51 -16.327 -0.180 -11.417 1.00 72.54 C ATOM 710 OE1 GLU A 51 -16.185 0.619 -12.364 1.00 54.01 O ATOM 711 OE2 GLU A 51 -17.342 -0.181 -10.690 1.00 52.33 O ATOM 0 H GLU A 51 -15.274 -4.390 -13.503 1.00 24.12 H new ATOM 0 HA GLU A 51 -15.598 -1.585 -13.919 1.00 23.04 H new ATOM 0 HB2 GLU A 51 -16.391 -2.812 -11.922 1.00 2.01 H new ATOM 0 HB3 GLU A 51 -14.743 -3.246 -11.510 1.00 2.01 H new ATOM 0 HG2 GLU A 51 -15.249 -1.452 -10.074 1.00 2.51 H new ATOM 0 HG3 GLU A 51 -14.260 -0.733 -11.329 1.00 2.51 H new ATOM 718 N GLY A 52 -12.588 -2.810 -13.556 1.00 1.11 N ATOM 719 CA GLY A 52 -11.166 -2.531 -13.579 1.00 21.01 C ATOM 720 C GLY A 52 -10.420 -3.414 -12.595 1.00 4.13 C ATOM 721 O GLY A 52 -10.955 -4.428 -12.141 1.00 2.40 O ATOM 0 H GLY A 52 -12.819 -3.804 -13.559 1.00 1.11 H new ATOM 0 HA2 GLY A 52 -10.777 -2.692 -14.584 1.00 21.01 H new ATOM 0 HA3 GLY A 52 -10.994 -1.483 -13.335 1.00 21.01 H new ATOM 725 N THR A 53 -9.188 -3.041 -12.274 1.00 41.11 N ATOM 726 CA THR A 53 -8.396 -3.759 -11.284 1.00 0.34 C ATOM 727 C THR A 53 -8.567 -3.130 -9.902 1.00 34.22 C ATOM 728 O THR A 53 -8.263 -1.947 -9.701 1.00 64.00 O ATOM 729 CB THR A 53 -6.899 -3.763 -11.678 1.00 35.34 C ATOM 730 OG1 THR A 53 -6.560 -2.516 -12.302 1.00 73.12 O ATOM 731 CG2 THR A 53 -6.573 -4.913 -12.621 1.00 45.52 C ATOM 0 H THR A 53 -8.713 -2.239 -12.688 1.00 41.11 H new ATOM 0 HA THR A 53 -8.752 -4.789 -11.250 1.00 0.34 H new ATOM 0 HB THR A 53 -6.312 -3.895 -10.769 1.00 35.34 H new ATOM 0 HG1 THR A 53 -5.587 -2.452 -12.398 1.00 73.12 H new ATOM 0 HG21 THR A 53 -5.514 -4.885 -12.877 1.00 45.52 H new ATOM 0 HG22 THR A 53 -6.803 -5.860 -12.133 1.00 45.52 H new ATOM 0 HG23 THR A 53 -7.168 -4.819 -13.529 1.00 45.52 H new ATOM 739 N VAL A 54 -9.084 -3.911 -8.957 1.00 53.42 N ATOM 740 CA VAL A 54 -9.207 -3.470 -7.572 1.00 63.44 C ATOM 741 C VAL A 54 -8.177 -4.193 -6.706 1.00 11.14 C ATOM 742 O VAL A 54 -8.125 -5.424 -6.680 1.00 74.20 O ATOM 743 CB VAL A 54 -10.641 -3.696 -7.018 1.00 14.22 C ATOM 744 CG1 VAL A 54 -11.065 -5.161 -7.141 1.00 53.22 C ATOM 745 CG2 VAL A 54 -10.742 -3.211 -5.570 1.00 5.40 C ATOM 0 H VAL A 54 -9.426 -4.857 -9.127 1.00 53.42 H new ATOM 0 HA VAL A 54 -9.016 -2.397 -7.542 1.00 63.44 H new ATOM 0 HB VAL A 54 -11.330 -3.107 -7.623 1.00 14.22 H new ATOM 0 HG11 VAL A 54 -12.073 -5.283 -6.744 1.00 53.22 H new ATOM 0 HG12 VAL A 54 -11.050 -5.457 -8.190 1.00 53.22 H new ATOM 0 HG13 VAL A 54 -10.375 -5.788 -6.577 1.00 53.22 H new ATOM 0 HG21 VAL A 54 -11.754 -3.378 -5.200 1.00 5.40 H new ATOM 0 HG22 VAL A 54 -10.034 -3.762 -4.951 1.00 5.40 H new ATOM 0 HG23 VAL A 54 -10.510 -2.147 -5.526 1.00 5.40 H new ATOM 755 N ALA A 55 -7.343 -3.426 -6.017 1.00 24.44 N ATOM 756 CA ALA A 55 -6.245 -3.983 -5.235 1.00 11.54 C ATOM 757 C ALA A 55 -6.591 -4.024 -3.745 1.00 10.51 C ATOM 758 O ALA A 55 -6.891 -2.991 -3.137 1.00 12.23 O ATOM 759 CB ALA A 55 -4.980 -3.159 -5.458 1.00 21.32 C ATOM 0 H ALA A 55 -7.406 -2.409 -5.983 1.00 24.44 H new ATOM 0 HA ALA A 55 -6.073 -5.007 -5.568 1.00 11.54 H new ATOM 0 HB1 ALA A 55 -4.163 -3.580 -4.871 1.00 21.32 H new ATOM 0 HB2 ALA A 55 -4.715 -3.178 -6.515 1.00 21.32 H new ATOM 0 HB3 ALA A 55 -5.157 -2.129 -5.147 1.00 21.32 H new ATOM 765 N LEU A 56 -6.554 -5.215 -3.167 1.00 33.55 N ATOM 766 CA LEU A 56 -6.767 -5.392 -1.733 1.00 42.02 C ATOM 767 C LEU A 56 -5.415 -5.517 -1.045 1.00 53.41 C ATOM 768 O LEU A 56 -4.563 -6.300 -1.476 1.00 11.13 O ATOM 769 CB LEU A 56 -7.615 -6.643 -1.467 1.00 10.23 C ATOM 770 CG LEU A 56 -8.847 -6.784 -2.372 1.00 73.24 C ATOM 771 CD1 LEU A 56 -9.582 -8.094 -2.097 1.00 11.13 C ATOM 772 CD2 LEU A 56 -9.790 -5.584 -2.210 1.00 13.21 C ATOM 0 H LEU A 56 -6.377 -6.083 -3.672 1.00 33.55 H new ATOM 0 HA LEU A 56 -7.302 -4.529 -1.337 1.00 42.02 H new ATOM 0 HB2 LEU A 56 -6.987 -7.525 -1.591 1.00 10.23 H new ATOM 0 HB3 LEU A 56 -7.943 -6.629 -0.428 1.00 10.23 H new ATOM 0 HG LEU A 56 -8.501 -6.803 -3.405 1.00 73.24 H new ATOM 0 HD11 LEU A 56 -10.450 -8.168 -2.752 1.00 11.13 H new ATOM 0 HD12 LEU A 56 -8.913 -8.933 -2.286 1.00 11.13 H new ATOM 0 HD13 LEU A 56 -9.908 -8.117 -1.057 1.00 11.13 H new ATOM 0 HD21 LEU A 56 -10.654 -5.710 -2.862 1.00 13.21 H new ATOM 0 HD22 LEU A 56 -10.123 -5.521 -1.174 1.00 13.21 H new ATOM 0 HD23 LEU A 56 -9.263 -4.668 -2.478 1.00 13.21 H new ATOM 784 N ILE A 57 -5.209 -4.736 0.003 1.00 33.42 N ATOM 785 CA ILE A 57 -3.933 -4.714 0.698 1.00 14.21 C ATOM 786 C ILE A 57 -4.129 -4.990 2.187 1.00 11.33 C ATOM 787 O ILE A 57 -4.750 -4.196 2.899 1.00 62.22 O ATOM 788 CB ILE A 57 -3.216 -3.352 0.505 1.00 4.13 C ATOM 789 CG1 ILE A 57 -2.978 -3.077 -0.990 1.00 55.45 C ATOM 790 CG2 ILE A 57 -1.899 -3.322 1.274 1.00 60.23 C ATOM 791 CD1 ILE A 57 -2.263 -1.771 -1.270 1.00 35.24 C ATOM 0 H ILE A 57 -5.912 -4.107 0.392 1.00 33.42 H new ATOM 0 HA ILE A 57 -3.308 -5.498 0.270 1.00 14.21 H new ATOM 0 HB ILE A 57 -3.859 -2.566 0.902 1.00 4.13 H new ATOM 0 HG12 ILE A 57 -2.395 -3.896 -1.411 1.00 55.45 H new ATOM 0 HG13 ILE A 57 -3.938 -3.071 -1.505 1.00 55.45 H new ATOM 0 HG21 ILE A 57 -1.413 -2.358 1.125 1.00 60.23 H new ATOM 0 HG22 ILE A 57 -2.094 -3.469 2.336 1.00 60.23 H new ATOM 0 HG23 ILE A 57 -1.248 -4.117 0.911 1.00 60.23 H new ATOM 0 HD11 ILE A 57 -2.133 -1.651 -2.346 1.00 35.24 H new ATOM 0 HD12 ILE A 57 -2.854 -0.942 -0.881 1.00 35.24 H new ATOM 0 HD13 ILE A 57 -1.287 -1.780 -0.785 1.00 35.24 H new ATOM 803 N ASP A 58 -3.625 -6.131 2.643 1.00 71.00 N ATOM 804 CA ASP A 58 -3.656 -6.479 4.060 1.00 42.40 C ATOM 805 C ASP A 58 -2.498 -5.795 4.784 1.00 32.43 C ATOM 806 O ASP A 58 -1.329 -6.051 4.482 1.00 32.11 O ATOM 807 CB ASP A 58 -3.555 -8.003 4.262 1.00 42.34 C ATOM 808 CG ASP A 58 -4.752 -8.767 3.714 1.00 1.41 C ATOM 809 OD1 ASP A 58 -5.811 -8.787 4.377 1.00 4.31 O ATOM 810 OD2 ASP A 58 -4.641 -9.364 2.622 1.00 4.34 O ATOM 0 H ASP A 58 -3.187 -6.835 2.049 1.00 71.00 H new ATOM 0 HA ASP A 58 -4.606 -6.138 4.471 1.00 42.40 H new ATOM 0 HB2 ASP A 58 -2.649 -8.367 3.778 1.00 42.34 H new ATOM 0 HB3 ASP A 58 -3.455 -8.215 5.326 1.00 42.34 H new ATOM 815 N MET A 59 -2.817 -4.922 5.734 1.00 34.41 N ATOM 816 CA MET A 59 -1.799 -4.227 6.521 1.00 23.45 C ATOM 817 C MET A 59 -2.234 -4.107 7.972 1.00 30.54 C ATOM 818 O MET A 59 -3.365 -4.452 8.326 1.00 13.21 O ATOM 819 CB MET A 59 -1.481 -2.835 5.940 1.00 71.52 C ATOM 820 CG MET A 59 -0.643 -2.876 4.667 1.00 64.01 C ATOM 821 SD MET A 59 -0.239 -1.235 4.033 1.00 4.21 S ATOM 822 CE MET A 59 0.783 -0.590 5.356 1.00 50.43 C ATOM 0 H MET A 59 -3.776 -4.677 5.980 1.00 34.41 H new ATOM 0 HA MET A 59 -0.887 -4.822 6.474 1.00 23.45 H new ATOM 0 HB2 MET A 59 -2.417 -2.316 5.731 1.00 71.52 H new ATOM 0 HB3 MET A 59 -0.953 -2.249 6.693 1.00 71.52 H new ATOM 0 HG2 MET A 59 0.281 -3.420 4.864 1.00 64.01 H new ATOM 0 HG3 MET A 59 -1.183 -3.432 3.901 1.00 64.01 H new ATOM 0 HE1 MET A 59 1.279 0.321 5.021 1.00 50.43 H new ATOM 0 HE2 MET A 59 0.159 -0.366 6.222 1.00 50.43 H new ATOM 0 HE3 MET A 59 1.533 -1.332 5.631 1.00 50.43 H new ATOM 832 N THR A 60 -1.310 -3.662 8.813 1.00 4.04 N ATOM 833 CA THR A 60 -1.578 -3.460 10.223 1.00 22.12 C ATOM 834 C THR A 60 -0.557 -2.488 10.812 1.00 72.42 C ATOM 835 O THR A 60 0.519 -2.282 10.240 1.00 0.54 O ATOM 836 CB THR A 60 -1.537 -4.801 10.996 1.00 61.30 C ATOM 837 OG1 THR A 60 -1.950 -4.604 12.354 1.00 44.11 O ATOM 838 CG2 THR A 60 -0.139 -5.417 10.970 1.00 21.30 C ATOM 0 H THR A 60 -0.356 -3.432 8.534 1.00 4.04 H new ATOM 0 HA THR A 60 -2.579 -3.040 10.323 1.00 22.12 H new ATOM 0 HB THR A 60 -2.224 -5.488 10.502 1.00 61.30 H new ATOM 0 HG1 THR A 60 -2.782 -5.095 12.517 1.00 44.11 H new ATOM 0 HG21 THR A 60 -0.145 -6.357 11.522 1.00 21.30 H new ATOM 0 HG22 THR A 60 0.157 -5.604 9.938 1.00 21.30 H new ATOM 0 HG23 THR A 60 0.570 -4.730 11.432 1.00 21.30 H new ATOM 846 N LEU A 61 -0.907 -1.882 11.937 1.00 12.12 N ATOM 847 CA LEU A 61 -0.013 -0.977 12.650 1.00 13.12 C ATOM 848 C LEU A 61 0.198 -1.515 14.063 1.00 64.20 C ATOM 849 O LEU A 61 -0.655 -2.242 14.574 1.00 54.02 O ATOM 850 CB LEU A 61 -0.597 0.447 12.693 1.00 41.34 C ATOM 851 CG LEU A 61 -0.894 1.091 11.317 1.00 3.43 C ATOM 852 CD1 LEU A 61 -1.519 2.479 11.474 1.00 11.02 C ATOM 853 CD2 LEU A 61 0.375 1.175 10.473 1.00 71.51 C ATOM 0 H LEU A 61 -1.817 -2.002 12.382 1.00 12.12 H new ATOM 0 HA LEU A 61 0.943 -0.923 12.130 1.00 13.12 H new ATOM 0 HB2 LEU A 61 -1.521 0.424 13.270 1.00 41.34 H new ATOM 0 HB3 LEU A 61 0.099 1.090 13.232 1.00 41.34 H new ATOM 0 HG LEU A 61 -1.613 0.452 10.804 1.00 3.43 H new ATOM 0 HD11 LEU A 61 -1.715 2.903 10.489 1.00 11.02 H new ATOM 0 HD12 LEU A 61 -2.455 2.396 12.026 1.00 11.02 H new ATOM 0 HD13 LEU A 61 -0.833 3.128 12.018 1.00 11.02 H new ATOM 0 HD21 LEU A 61 0.142 1.631 9.511 1.00 71.51 H new ATOM 0 HD22 LEU A 61 1.117 1.781 10.992 1.00 71.51 H new ATOM 0 HD23 LEU A 61 0.773 0.173 10.313 1.00 71.51 H new ATOM 865 N THR A 62 1.316 -1.148 14.685 1.00 44.24 N ATOM 866 CA THR A 62 1.704 -1.691 15.991 1.00 63.32 C ATOM 867 C THR A 62 0.547 -1.656 16.995 1.00 32.41 C ATOM 868 O THR A 62 0.117 -2.697 17.498 1.00 13.32 O ATOM 869 CB THR A 62 2.918 -0.921 16.565 1.00 54.14 C ATOM 870 OG1 THR A 62 2.686 0.494 16.473 1.00 1.43 O ATOM 871 CG2 THR A 62 4.202 -1.279 15.819 1.00 5.33 C ATOM 0 H THR A 62 1.977 -0.471 14.304 1.00 44.24 H new ATOM 0 HA THR A 62 1.980 -2.734 15.832 1.00 63.32 H new ATOM 0 HB THR A 62 3.037 -1.207 17.610 1.00 54.14 H new ATOM 0 HG1 THR A 62 3.457 0.976 16.839 1.00 1.43 H new ATOM 0 HG21 THR A 62 5.037 -0.723 16.245 1.00 5.33 H new ATOM 0 HG22 THR A 62 4.392 -2.348 15.914 1.00 5.33 H new ATOM 0 HG23 THR A 62 4.094 -1.022 14.765 1.00 5.33 H new ATOM 879 N SER A 63 0.039 -0.461 17.269 1.00 42.14 N ATOM 880 CA SER A 63 -1.061 -0.292 18.214 1.00 34.20 C ATOM 881 C SER A 63 -2.402 -0.218 17.485 1.00 51.41 C ATOM 882 O SER A 63 -3.461 -0.317 18.106 1.00 64.51 O ATOM 883 CB SER A 63 -0.839 0.979 19.034 1.00 74.42 C ATOM 884 OG SER A 63 -0.727 2.114 18.187 1.00 3.22 O ATOM 0 H SER A 63 0.371 0.408 16.850 1.00 42.14 H new ATOM 0 HA SER A 63 -1.085 -1.156 18.879 1.00 34.20 H new ATOM 0 HB2 SER A 63 -1.668 1.118 19.728 1.00 74.42 H new ATOM 0 HB3 SER A 63 0.065 0.877 19.634 1.00 74.42 H new ATOM 0 HG SER A 63 -0.587 2.916 18.732 1.00 3.22 H new ATOM 890 N ALA A 64 -2.335 -0.032 16.164 1.00 32.24 N ATOM 891 CA ALA A 64 -3.523 0.152 15.324 1.00 64.42 C ATOM 892 C ALA A 64 -4.278 1.436 15.691 1.00 40.45 C ATOM 893 O ALA A 64 -5.373 1.684 15.188 1.00 24.53 O ATOM 894 CB ALA A 64 -4.444 -1.064 15.409 1.00 4.43 C ATOM 0 H ALA A 64 -1.457 -0.005 15.646 1.00 32.24 H new ATOM 0 HA ALA A 64 -3.184 0.252 14.293 1.00 64.42 H new ATOM 0 HB1 ALA A 64 -5.318 -0.903 14.778 1.00 4.43 H new ATOM 0 HB2 ALA A 64 -3.909 -1.950 15.069 1.00 4.43 H new ATOM 0 HB3 ALA A 64 -4.764 -1.207 16.441 1.00 4.43 H new ATOM 900 N ALA A 65 -3.675 2.257 16.552 1.00 62.23 N ATOM 901 CA ALA A 65 -4.278 3.521 16.978 1.00 72.05 C ATOM 902 C ALA A 65 -3.481 4.707 16.441 1.00 10.22 C ATOM 903 O ALA A 65 -3.902 5.861 16.553 1.00 45.42 O ATOM 904 CB ALA A 65 -4.361 3.576 18.500 1.00 32.44 C ATOM 0 H ALA A 65 -2.764 2.068 16.970 1.00 62.23 H new ATOM 0 HA ALA A 65 -5.287 3.579 16.571 1.00 72.05 H new ATOM 0 HB1 ALA A 65 -4.811 4.520 18.806 1.00 32.44 H new ATOM 0 HB2 ALA A 65 -4.972 2.749 18.861 1.00 32.44 H new ATOM 0 HB3 ALA A 65 -3.359 3.498 18.922 1.00 32.44 H new ATOM 910 N CYS A 66 -2.323 4.406 15.858 1.00 32.52 N ATOM 911 CA CYS A 66 -1.450 5.424 15.289 1.00 53.43 C ATOM 912 C CYS A 66 -2.100 6.066 14.057 1.00 43.22 C ATOM 913 O CYS A 66 -2.641 5.365 13.199 1.00 31.05 O ATOM 914 CB CYS A 66 -0.101 4.796 14.916 1.00 13.32 C ATOM 915 SG CYS A 66 0.740 3.984 16.295 1.00 25.52 S ATOM 0 H CYS A 66 -1.967 3.454 15.768 1.00 32.52 H new ATOM 0 HA CYS A 66 -1.287 6.205 16.032 1.00 53.43 H new ATOM 0 HB2 CYS A 66 -0.259 4.068 14.121 1.00 13.32 H new ATOM 0 HB3 CYS A 66 0.550 5.572 14.513 1.00 13.32 H new ATOM 0 HG CYS A 66 -0.121 3.295 16.983 1.00 25.52 H new ATOM 921 N PRO A 67 -2.029 7.407 13.938 1.00 34.43 N ATOM 922 CA PRO A 67 -2.669 8.152 12.841 1.00 44.41 C ATOM 923 C PRO A 67 -1.892 8.045 11.522 1.00 30.42 C ATOM 924 O PRO A 67 -1.839 8.993 10.740 1.00 53.13 O ATOM 925 CB PRO A 67 -2.665 9.593 13.367 1.00 1.32 C ATOM 926 CG PRO A 67 -1.453 9.669 14.232 1.00 61.34 C ATOM 927 CD PRO A 67 -1.315 8.309 14.869 1.00 63.11 C ATOM 0 HA PRO A 67 -3.661 7.770 12.601 1.00 44.41 H new ATOM 0 HB2 PRO A 67 -2.616 10.314 12.551 1.00 1.32 H new ATOM 0 HB3 PRO A 67 -3.571 9.812 13.932 1.00 1.32 H new ATOM 0 HG2 PRO A 67 -0.569 9.917 13.645 1.00 61.34 H new ATOM 0 HG3 PRO A 67 -1.561 10.446 14.989 1.00 61.34 H new ATOM 0 HD2 PRO A 67 -0.269 8.023 14.979 1.00 63.11 H new ATOM 0 HD3 PRO A 67 -1.758 8.287 15.865 1.00 63.11 H new ATOM 935 N LEU A 68 -1.305 6.877 11.276 1.00 13.02 N ATOM 936 CA LEU A 68 -0.543 6.633 10.053 1.00 3.13 C ATOM 937 C LEU A 68 -1.414 5.918 9.021 1.00 2.02 C ATOM 938 O LEU A 68 -0.958 5.604 7.925 1.00 41.22 O ATOM 939 CB LEU A 68 0.721 5.802 10.349 1.00 31.11 C ATOM 940 CG LEU A 68 1.877 6.558 11.040 1.00 73.13 C ATOM 941 CD1 LEU A 68 1.477 7.041 12.433 1.00 35.11 C ATOM 942 CD2 LEU A 68 3.124 5.676 11.113 1.00 32.01 C ATOM 0 H LEU A 68 -1.343 6.080 11.911 1.00 13.02 H new ATOM 0 HA LEU A 68 -0.232 7.596 9.648 1.00 3.13 H new ATOM 0 HB2 LEU A 68 0.438 4.957 10.977 1.00 31.11 H new ATOM 0 HB3 LEU A 68 1.091 5.391 9.410 1.00 31.11 H new ATOM 0 HG LEU A 68 2.106 7.438 10.439 1.00 73.13 H new ATOM 0 HD11 LEU A 68 2.314 7.569 12.890 1.00 35.11 H new ATOM 0 HD12 LEU A 68 0.624 7.715 12.353 1.00 35.11 H new ATOM 0 HD13 LEU A 68 1.207 6.185 13.051 1.00 35.11 H new ATOM 0 HD21 LEU A 68 3.929 6.224 11.603 1.00 32.01 H new ATOM 0 HD22 LEU A 68 2.899 4.775 11.683 1.00 32.01 H new ATOM 0 HD23 LEU A 68 3.434 5.400 10.105 1.00 32.01 H new ATOM 954 N THR A 69 -2.668 5.674 9.387 1.00 14.35 N ATOM 955 CA THR A 69 -3.620 4.992 8.510 1.00 42.55 C ATOM 956 C THR A 69 -3.849 5.781 7.205 1.00 54.43 C ATOM 957 O THR A 69 -3.569 5.283 6.105 1.00 34.24 O ATOM 958 CB THR A 69 -4.970 4.719 9.246 1.00 63.20 C ATOM 959 OG1 THR A 69 -5.995 4.388 8.307 1.00 65.34 O ATOM 960 CG2 THR A 69 -5.431 5.906 10.102 1.00 75.22 C ATOM 0 H THR A 69 -3.054 5.940 10.293 1.00 14.35 H new ATOM 0 HA THR A 69 -3.186 4.029 8.241 1.00 42.55 H new ATOM 0 HB THR A 69 -4.790 3.878 9.916 1.00 63.20 H new ATOM 0 HG1 THR A 69 -5.887 3.458 8.019 1.00 65.34 H new ATOM 0 HG21 THR A 69 -6.374 5.659 10.589 1.00 75.22 H new ATOM 0 HG22 THR A 69 -4.677 6.123 10.859 1.00 75.22 H new ATOM 0 HG23 THR A 69 -5.570 6.781 9.467 1.00 75.22 H new ATOM 968 N ASP A 70 -4.303 7.023 7.330 1.00 73.11 N ATOM 969 CA ASP A 70 -4.578 7.862 6.165 1.00 2.21 C ATOM 970 C ASP A 70 -3.283 8.157 5.422 1.00 75.03 C ATOM 971 O ASP A 70 -3.283 8.398 4.213 1.00 75.11 O ATOM 972 CB ASP A 70 -5.247 9.174 6.592 1.00 43.41 C ATOM 973 CG ASP A 70 -4.358 10.003 7.503 1.00 65.34 C ATOM 974 OD1 ASP A 70 -3.798 11.018 7.036 1.00 21.12 O ATOM 975 OD2 ASP A 70 -4.207 9.633 8.686 1.00 43.13 O ATOM 0 H ASP A 70 -4.489 7.473 8.226 1.00 73.11 H new ATOM 0 HA ASP A 70 -5.258 7.326 5.503 1.00 2.21 H new ATOM 0 HB2 ASP A 70 -5.499 9.756 5.706 1.00 43.41 H new ATOM 0 HB3 ASP A 70 -6.183 8.952 7.105 1.00 43.41 H new ATOM 980 N VAL A 71 -2.178 8.139 6.161 1.00 44.21 N ATOM 981 CA VAL A 71 -0.863 8.381 5.582 1.00 35.04 C ATOM 982 C VAL A 71 -0.464 7.235 4.651 1.00 72.14 C ATOM 983 O VAL A 71 -0.126 7.464 3.485 1.00 74.33 O ATOM 984 CB VAL A 71 0.218 8.557 6.680 1.00 25.52 C ATOM 985 CG1 VAL A 71 1.590 8.838 6.065 1.00 55.23 C ATOM 986 CG2 VAL A 71 -0.180 9.668 7.653 1.00 52.53 C ATOM 0 H VAL A 71 -2.168 7.959 7.165 1.00 44.21 H new ATOM 0 HA VAL A 71 -0.927 9.306 5.009 1.00 35.04 H new ATOM 0 HB VAL A 71 0.289 7.622 7.236 1.00 25.52 H new ATOM 0 HG11 VAL A 71 2.327 8.957 6.859 1.00 55.23 H new ATOM 0 HG12 VAL A 71 1.879 8.005 5.423 1.00 55.23 H new ATOM 0 HG13 VAL A 71 1.543 9.752 5.474 1.00 55.23 H new ATOM 0 HG21 VAL A 71 0.591 9.777 8.416 1.00 52.53 H new ATOM 0 HG22 VAL A 71 -0.287 10.607 7.109 1.00 52.53 H new ATOM 0 HG23 VAL A 71 -1.128 9.414 8.128 1.00 52.53 H new ATOM 996 N ILE A 72 -0.532 5.995 5.149 1.00 41.01 N ATOM 997 CA ILE A 72 -0.162 4.839 4.337 1.00 15.44 C ATOM 998 C ILE A 72 -1.107 4.690 3.147 1.00 11.23 C ATOM 999 O ILE A 72 -0.671 4.363 2.038 1.00 13.14 O ATOM 1000 CB ILE A 72 -0.116 3.527 5.153 1.00 63.34 C ATOM 1001 CG1 ILE A 72 -1.477 3.212 5.778 1.00 1.54 C ATOM 1002 CG2 ILE A 72 0.972 3.610 6.225 1.00 53.32 C ATOM 1003 CD1 ILE A 72 -1.474 1.945 6.591 1.00 53.02 C ATOM 0 H ILE A 72 -0.836 5.772 6.097 1.00 41.01 H new ATOM 0 HA ILE A 72 0.848 5.025 3.972 1.00 15.44 H new ATOM 0 HB ILE A 72 0.127 2.711 4.473 1.00 63.34 H new ATOM 0 HG12 ILE A 72 -1.780 4.044 6.414 1.00 1.54 H new ATOM 0 HG13 ILE A 72 -2.223 3.128 4.987 1.00 1.54 H new ATOM 0 HG21 ILE A 72 0.995 2.680 6.793 1.00 53.32 H new ATOM 0 HG22 ILE A 72 1.940 3.768 5.750 1.00 53.32 H new ATOM 0 HG23 ILE A 72 0.758 4.441 6.897 1.00 53.32 H new ATOM 0 HD11 ILE A 72 -2.467 1.777 7.007 1.00 53.02 H new ATOM 0 HD12 ILE A 72 -1.201 1.104 5.953 1.00 53.02 H new ATOM 0 HD13 ILE A 72 -0.751 2.035 7.402 1.00 53.02 H new ATOM 1015 N GLU A 73 -2.397 4.955 3.369 1.00 45.10 N ATOM 1016 CA GLU A 73 -3.378 4.915 2.287 1.00 51.43 C ATOM 1017 C GLU A 73 -3.079 5.972 1.224 1.00 0.54 C ATOM 1018 O GLU A 73 -3.140 5.685 0.025 1.00 54.40 O ATOM 1019 CB GLU A 73 -4.802 5.102 2.817 1.00 34.44 C ATOM 1020 CG GLU A 73 -5.352 3.887 3.562 1.00 41.12 C ATOM 1021 CD GLU A 73 -6.759 3.529 3.115 1.00 41.33 C ATOM 1022 OE1 GLU A 73 -6.911 2.554 2.348 1.00 51.42 O ATOM 1023 OE2 GLU A 73 -7.712 4.253 3.490 1.00 43.54 O ATOM 0 H GLU A 73 -2.782 5.198 4.282 1.00 45.10 H new ATOM 0 HA GLU A 73 -3.304 3.929 1.828 1.00 51.43 H new ATOM 0 HB2 GLU A 73 -4.820 5.964 3.485 1.00 34.44 H new ATOM 0 HB3 GLU A 73 -5.463 5.333 1.981 1.00 34.44 H new ATOM 0 HG2 GLU A 73 -4.693 3.034 3.400 1.00 41.12 H new ATOM 0 HG3 GLU A 73 -5.353 4.089 4.633 1.00 41.12 H new ATOM 1030 N ASP A 74 -2.761 7.190 1.661 1.00 5.53 N ATOM 1031 CA ASP A 74 -2.464 8.283 0.732 1.00 4.42 C ATOM 1032 C ASP A 74 -1.270 7.927 -0.143 1.00 54.25 C ATOM 1033 O ASP A 74 -1.344 8.004 -1.371 1.00 11.33 O ATOM 1034 CB ASP A 74 -2.187 9.589 1.490 1.00 31.42 C ATOM 1035 CG ASP A 74 -1.814 10.736 0.560 1.00 31.10 C ATOM 1036 OD1 ASP A 74 -2.692 11.204 -0.201 1.00 60.53 O ATOM 1037 OD2 ASP A 74 -0.645 11.178 0.585 1.00 11.55 O ATOM 0 H ASP A 74 -2.702 7.445 2.647 1.00 5.53 H new ATOM 0 HA ASP A 74 -3.338 8.431 0.098 1.00 4.42 H new ATOM 0 HB2 ASP A 74 -3.070 9.865 2.066 1.00 31.42 H new ATOM 0 HB3 ASP A 74 -1.379 9.427 2.203 1.00 31.42 H new ATOM 1042 N GLN A 75 -0.184 7.506 0.500 1.00 24.23 N ATOM 1043 CA GLN A 75 1.032 7.113 -0.211 1.00 40.10 C ATOM 1044 C GLN A 75 0.734 6.011 -1.229 1.00 1.33 C ATOM 1045 O GLN A 75 1.058 6.136 -2.413 1.00 44.34 O ATOM 1046 CB GLN A 75 2.100 6.625 0.780 1.00 33.34 C ATOM 1047 CG GLN A 75 2.565 7.685 1.779 1.00 51.41 C ATOM 1048 CD GLN A 75 3.658 7.183 2.720 1.00 0.35 C ATOM 1049 OE1 GLN A 75 4.505 7.954 3.176 1.00 43.05 O ATOM 1050 NE2 GLN A 75 3.642 5.890 3.028 1.00 31.00 N ATOM 0 H GLN A 75 -0.120 7.428 1.515 1.00 24.23 H new ATOM 0 HA GLN A 75 1.409 7.988 -0.741 1.00 40.10 H new ATOM 0 HB2 GLN A 75 1.704 5.772 1.331 1.00 33.34 H new ATOM 0 HB3 GLN A 75 2.964 6.268 0.219 1.00 33.34 H new ATOM 0 HG2 GLN A 75 2.934 8.553 1.233 1.00 51.41 H new ATOM 0 HG3 GLN A 75 1.711 8.019 2.369 1.00 51.41 H new ATOM 0 HE21 GLN A 75 2.926 5.280 2.632 1.00 31.00 H new ATOM 0 HE22 GLN A 75 4.345 5.508 3.660 1.00 31.00 H new ATOM 1059 N SER A 76 0.090 4.946 -0.758 1.00 72.41 N ATOM 1060 CA SER A 76 -0.192 3.782 -1.592 1.00 14.14 C ATOM 1061 C SER A 76 -1.100 4.152 -2.771 1.00 54.20 C ATOM 1062 O SER A 76 -0.744 3.923 -3.928 1.00 14.10 O ATOM 1063 CB SER A 76 -0.834 2.671 -0.748 1.00 4.24 C ATOM 1064 OG SER A 76 -0.994 1.476 -1.496 1.00 40.42 O ATOM 0 H SER A 76 -0.247 4.866 0.201 1.00 72.41 H new ATOM 0 HA SER A 76 0.751 3.418 -1.999 1.00 14.14 H new ATOM 0 HB2 SER A 76 -0.215 2.474 0.127 1.00 4.24 H new ATOM 0 HB3 SER A 76 -1.805 3.005 -0.382 1.00 4.24 H new ATOM 0 HG SER A 76 -1.403 0.788 -0.930 1.00 40.42 H new ATOM 1070 N ARG A 77 -2.258 4.744 -2.475 1.00 25.13 N ATOM 1071 CA ARG A 77 -3.218 5.118 -3.516 1.00 71.41 C ATOM 1072 C ARG A 77 -2.586 6.077 -4.522 1.00 73.22 C ATOM 1073 O ARG A 77 -2.786 5.935 -5.727 1.00 41.22 O ATOM 1074 CB ARG A 77 -4.489 5.738 -2.907 1.00 72.40 C ATOM 1075 CG ARG A 77 -5.429 4.708 -2.288 1.00 35.34 C ATOM 1076 CD ARG A 77 -6.720 5.326 -1.759 1.00 5.21 C ATOM 1077 NE ARG A 77 -7.697 4.291 -1.396 1.00 52.43 N ATOM 1078 CZ ARG A 77 -8.198 4.109 -0.173 1.00 21.14 C ATOM 1079 NH1 ARG A 77 -7.870 4.931 0.817 1.00 65.30 N ATOM 1080 NH2 ARG A 77 -9.038 3.106 0.053 1.00 74.34 N ATOM 0 H ARG A 77 -2.554 4.974 -1.526 1.00 25.13 H new ATOM 0 HA ARG A 77 -3.505 4.207 -4.042 1.00 71.41 H new ATOM 0 HB2 ARG A 77 -4.202 6.461 -2.144 1.00 72.40 H new ATOM 0 HB3 ARG A 77 -5.024 6.287 -3.682 1.00 72.40 H new ATOM 0 HG2 ARG A 77 -5.673 3.952 -3.034 1.00 35.34 H new ATOM 0 HG3 ARG A 77 -4.915 4.198 -1.473 1.00 35.34 H new ATOM 0 HD2 ARG A 77 -6.500 5.943 -0.888 1.00 5.21 H new ATOM 0 HD3 ARG A 77 -7.148 5.984 -2.516 1.00 5.21 H new ATOM 0 HE ARG A 77 -8.016 3.664 -2.135 1.00 52.43 H new ATOM 0 HH11 ARG A 77 -7.231 5.707 0.645 1.00 65.30 H new ATOM 0 HH12 ARG A 77 -8.257 4.786 1.750 1.00 65.30 H new ATOM 0 HH21 ARG A 77 -9.298 2.478 -0.707 1.00 74.34 H new ATOM 0 HH22 ARG A 77 -9.423 2.964 0.987 1.00 74.34 H new ATOM 1094 N SER A 78 -1.809 7.032 -4.020 1.00 72.34 N ATOM 1095 CA SER A 78 -1.146 8.014 -4.869 1.00 24.34 C ATOM 1096 C SER A 78 -0.281 7.321 -5.923 1.00 10.03 C ATOM 1097 O SER A 78 -0.348 7.653 -7.111 1.00 20.05 O ATOM 1098 CB SER A 78 -0.288 8.963 -4.015 1.00 12.42 C ATOM 1099 OG SER A 78 0.394 9.915 -4.816 1.00 12.02 O ATOM 0 H SER A 78 -1.623 7.146 -3.024 1.00 72.34 H new ATOM 0 HA SER A 78 -1.911 8.597 -5.382 1.00 24.34 H new ATOM 0 HB2 SER A 78 -0.923 9.480 -3.296 1.00 12.42 H new ATOM 0 HB3 SER A 78 0.436 8.383 -3.442 1.00 12.42 H new ATOM 0 HG SER A 78 0.928 10.503 -4.242 1.00 12.02 H new ATOM 1105 N ALA A 79 0.512 6.346 -5.488 1.00 61.14 N ATOM 1106 CA ALA A 79 1.428 5.659 -6.389 1.00 71.55 C ATOM 1107 C ALA A 79 0.677 4.705 -7.319 1.00 51.41 C ATOM 1108 O ALA A 79 0.793 4.806 -8.541 1.00 22.14 O ATOM 1109 CB ALA A 79 2.485 4.903 -5.588 1.00 31.30 C ATOM 0 H ALA A 79 0.538 6.016 -4.523 1.00 61.14 H new ATOM 0 HA ALA A 79 1.922 6.408 -7.008 1.00 71.55 H new ATOM 0 HB1 ALA A 79 3.164 4.393 -6.272 1.00 31.30 H new ATOM 0 HB2 ALA A 79 3.048 5.606 -4.974 1.00 31.30 H new ATOM 0 HB3 ALA A 79 1.999 4.169 -4.945 1.00 31.30 H new ATOM 1115 N LEU A 80 -0.163 3.846 -6.740 1.00 51.53 N ATOM 1116 CA LEU A 80 -0.866 2.808 -7.504 1.00 21.02 C ATOM 1117 C LEU A 80 -1.732 3.424 -8.601 1.00 40.31 C ATOM 1118 O LEU A 80 -1.820 2.892 -9.713 1.00 51.34 O ATOM 1119 CB LEU A 80 -1.720 1.936 -6.571 1.00 55.33 C ATOM 1120 CG LEU A 80 -0.930 1.127 -5.528 1.00 65.11 C ATOM 1121 CD1 LEU A 80 -1.865 0.271 -4.679 1.00 22.00 C ATOM 1122 CD2 LEU A 80 0.130 0.255 -6.204 1.00 65.53 C ATOM 0 H LEU A 80 -0.375 3.847 -5.742 1.00 51.53 H new ATOM 0 HA LEU A 80 -0.116 2.176 -7.981 1.00 21.02 H new ATOM 0 HB2 LEU A 80 -2.430 2.577 -6.049 1.00 55.33 H new ATOM 0 HB3 LEU A 80 -2.303 1.244 -7.179 1.00 55.33 H new ATOM 0 HG LEU A 80 -0.424 1.833 -4.870 1.00 65.11 H new ATOM 0 HD11 LEU A 80 -1.282 -0.291 -3.950 1.00 22.00 H new ATOM 0 HD12 LEU A 80 -2.575 0.914 -4.158 1.00 22.00 H new ATOM 0 HD13 LEU A 80 -2.407 -0.422 -5.322 1.00 22.00 H new ATOM 0 HD21 LEU A 80 0.676 -0.308 -5.446 1.00 65.53 H new ATOM 0 HD22 LEU A 80 -0.354 -0.438 -6.892 1.00 65.53 H new ATOM 0 HD23 LEU A 80 0.825 0.889 -6.756 1.00 65.53 H new ATOM 1134 N VAL A 81 -2.365 4.547 -8.282 1.00 21.11 N ATOM 1135 CA VAL A 81 -3.151 5.291 -9.259 1.00 22.21 C ATOM 1136 C VAL A 81 -2.222 6.046 -10.211 1.00 1.41 C ATOM 1137 O VAL A 81 -2.560 6.270 -11.375 1.00 13.01 O ATOM 1138 CB VAL A 81 -4.142 6.280 -8.579 1.00 31.50 C ATOM 1139 CG1 VAL A 81 -4.909 7.095 -9.622 1.00 64.12 C ATOM 1140 CG2 VAL A 81 -5.113 5.522 -7.670 1.00 62.44 C ATOM 0 H VAL A 81 -2.349 4.963 -7.351 1.00 21.11 H new ATOM 0 HA VAL A 81 -3.744 4.571 -9.823 1.00 22.21 H new ATOM 0 HB VAL A 81 -3.563 6.974 -7.970 1.00 31.50 H new ATOM 0 HG11 VAL A 81 -5.594 7.777 -9.119 1.00 64.12 H new ATOM 0 HG12 VAL A 81 -4.205 7.667 -10.226 1.00 64.12 H new ATOM 0 HG13 VAL A 81 -5.475 6.422 -10.265 1.00 64.12 H new ATOM 0 HG21 VAL A 81 -5.799 6.228 -7.202 1.00 62.44 H new ATOM 0 HG22 VAL A 81 -5.680 4.803 -8.262 1.00 62.44 H new ATOM 0 HG23 VAL A 81 -4.552 4.995 -6.898 1.00 62.44 H new ATOM 1150 N GLY A 82 -1.031 6.396 -9.721 1.00 75.25 N ATOM 1151 CA GLY A 82 -0.097 7.181 -10.508 1.00 44.24 C ATOM 1152 C GLY A 82 0.451 6.392 -11.677 1.00 22.32 C ATOM 1153 O GLY A 82 0.473 6.876 -12.810 1.00 44.24 O ATOM 0 H GLY A 82 -0.698 6.147 -8.789 1.00 75.25 H new ATOM 0 HA2 GLY A 82 -0.595 8.078 -10.876 1.00 44.24 H new ATOM 0 HA3 GLY A 82 0.726 7.511 -9.874 1.00 44.24 H new ATOM 1157 N SER A 83 0.879 5.165 -11.398 1.00 20.23 N ATOM 1158 CA SER A 83 1.365 4.261 -12.436 1.00 4.50 C ATOM 1159 C SER A 83 0.200 3.734 -13.279 1.00 31.34 C ATOM 1160 O SER A 83 0.408 3.124 -14.330 1.00 30.13 O ATOM 1161 CB SER A 83 2.129 3.096 -11.798 1.00 62.40 C ATOM 1162 OG SER A 83 3.194 3.570 -10.996 1.00 45.32 O ATOM 0 H SER A 83 0.899 4.772 -10.457 1.00 20.23 H new ATOM 0 HA SER A 83 2.040 4.812 -13.091 1.00 4.50 H new ATOM 0 HB2 SER A 83 1.449 2.499 -11.191 1.00 62.40 H new ATOM 0 HB3 SER A 83 2.519 2.441 -12.577 1.00 62.40 H new ATOM 0 HG SER A 83 3.420 2.897 -10.321 1.00 45.32 H new ATOM 1168 N GLY A 84 -1.023 3.976 -12.803 1.00 63.25 N ATOM 1169 CA GLY A 84 -2.211 3.551 -13.524 1.00 14.21 C ATOM 1170 C GLY A 84 -2.325 2.042 -13.618 1.00 25.35 C ATOM 1171 O GLY A 84 -2.733 1.505 -14.650 1.00 23.25 O ATOM 0 H GLY A 84 -1.210 4.462 -11.926 1.00 63.25 H new ATOM 0 HA2 GLY A 84 -3.096 3.949 -13.026 1.00 14.21 H new ATOM 0 HA3 GLY A 84 -2.193 3.974 -14.528 1.00 14.21 H new ATOM 1175 N LEU A 85 -1.958 1.354 -12.540 1.00 55.42 N ATOM 1176 CA LEU A 85 -2.017 -0.106 -12.506 1.00 54.51 C ATOM 1177 C LEU A 85 -3.397 -0.581 -12.055 1.00 31.34 C ATOM 1178 O LEU A 85 -3.882 -1.622 -12.499 1.00 32.02 O ATOM 1179 CB LEU A 85 -0.935 -0.666 -11.571 1.00 44.53 C ATOM 1180 CG LEU A 85 0.514 -0.363 -11.987 1.00 61.54 C ATOM 1181 CD1 LEU A 85 1.499 -0.998 -11.010 1.00 74.22 C ATOM 1182 CD2 LEU A 85 0.783 -0.850 -13.411 1.00 35.13 C ATOM 0 H LEU A 85 -1.617 1.782 -11.679 1.00 55.42 H new ATOM 0 HA LEU A 85 -1.835 -0.476 -13.515 1.00 54.51 H new ATOM 0 HB2 LEU A 85 -1.100 -0.265 -10.571 1.00 44.53 H new ATOM 0 HB3 LEU A 85 -1.058 -1.747 -11.506 1.00 44.53 H new ATOM 0 HG LEU A 85 0.654 0.718 -11.963 1.00 61.54 H new ATOM 0 HD11 LEU A 85 2.518 -0.772 -11.322 1.00 74.22 H new ATOM 0 HD12 LEU A 85 1.329 -0.598 -10.010 1.00 74.22 H new ATOM 0 HD13 LEU A 85 1.355 -2.078 -10.998 1.00 74.22 H new ATOM 0 HD21 LEU A 85 1.814 -0.625 -13.684 1.00 35.13 H new ATOM 0 HD22 LEU A 85 0.620 -1.926 -13.464 1.00 35.13 H new ATOM 0 HD23 LEU A 85 0.107 -0.346 -14.102 1.00 35.13 H new ATOM 1194 N VAL A 86 -4.025 0.193 -11.172 1.00 23.22 N ATOM 1195 CA VAL A 86 -5.345 -0.151 -10.644 1.00 35.41 C ATOM 1196 C VAL A 86 -6.255 1.074 -10.612 1.00 61.14 C ATOM 1197 O VAL A 86 -5.801 2.205 -10.826 1.00 75.33 O ATOM 1198 CB VAL A 86 -5.257 -0.766 -9.220 1.00 63.12 C ATOM 1199 CG1 VAL A 86 -4.531 -2.115 -9.248 1.00 23.23 C ATOM 1200 CG2 VAL A 86 -4.578 0.203 -8.254 1.00 4.32 C ATOM 0 H VAL A 86 -3.641 1.064 -10.806 1.00 23.22 H new ATOM 0 HA VAL A 86 -5.768 -0.898 -11.315 1.00 35.41 H new ATOM 0 HB VAL A 86 -6.272 -0.942 -8.864 1.00 63.12 H new ATOM 0 HG11 VAL A 86 -4.483 -2.524 -8.239 1.00 23.23 H new ATOM 0 HG12 VAL A 86 -5.072 -2.806 -9.894 1.00 23.23 H new ATOM 0 HG13 VAL A 86 -3.520 -1.976 -9.631 1.00 23.23 H new ATOM 0 HG21 VAL A 86 -4.527 -0.248 -7.263 1.00 4.32 H new ATOM 0 HG22 VAL A 86 -3.570 0.421 -8.606 1.00 4.32 H new ATOM 0 HG23 VAL A 86 -5.152 1.128 -8.203 1.00 4.32 H new ATOM 1210 N ASP A 87 -7.540 0.845 -10.360 1.00 42.44 N ATOM 1211 CA ASP A 87 -8.524 1.928 -10.289 1.00 24.11 C ATOM 1212 C ASP A 87 -8.872 2.248 -8.838 1.00 41.44 C ATOM 1213 O ASP A 87 -8.977 3.416 -8.454 1.00 4.03 O ATOM 1214 CB ASP A 87 -9.801 1.553 -11.058 1.00 32.54 C ATOM 1215 CG ASP A 87 -10.868 2.641 -10.983 1.00 54.24 C ATOM 1216 OD1 ASP A 87 -10.813 3.593 -11.795 1.00 3.13 O ATOM 1217 OD2 ASP A 87 -11.762 2.553 -10.114 1.00 23.22 O ATOM 0 H ASP A 87 -7.929 -0.084 -10.200 1.00 42.44 H new ATOM 0 HA ASP A 87 -8.082 2.812 -10.748 1.00 24.11 H new ATOM 0 HB2 ASP A 87 -9.551 1.365 -12.102 1.00 32.54 H new ATOM 0 HB3 ASP A 87 -10.205 0.624 -10.655 1.00 32.54 H new ATOM 1222 N ASP A 88 -9.030 1.201 -8.035 1.00 61.21 N ATOM 1223 CA ASP A 88 -9.459 1.342 -6.643 1.00 63.24 C ATOM 1224 C ASP A 88 -8.633 0.405 -5.761 1.00 11.12 C ATOM 1225 O ASP A 88 -8.274 -0.697 -6.185 1.00 25.13 O ATOM 1226 CB ASP A 88 -10.960 1.002 -6.531 1.00 54.10 C ATOM 1227 CG ASP A 88 -11.621 1.502 -5.247 1.00 44.01 C ATOM 1228 OD1 ASP A 88 -12.742 2.055 -5.331 1.00 4.42 O ATOM 1229 OD2 ASP A 88 -11.049 1.327 -4.154 1.00 61.55 O ATOM 0 H ASP A 88 -8.866 0.237 -8.325 1.00 61.21 H new ATOM 0 HA ASP A 88 -9.305 2.368 -6.310 1.00 63.24 H new ATOM 0 HB2 ASP A 88 -11.483 1.430 -7.386 1.00 54.10 H new ATOM 0 HB3 ASP A 88 -11.082 -0.079 -6.592 1.00 54.10 H new ATOM 1234 N ILE A 89 -8.311 0.850 -4.547 1.00 43.34 N ATOM 1235 CA ILE A 89 -7.551 0.037 -3.597 1.00 74.31 C ATOM 1236 C ILE A 89 -8.166 0.161 -2.205 1.00 43.33 C ATOM 1237 O ILE A 89 -8.691 1.218 -1.841 1.00 5.35 O ATOM 1238 CB ILE A 89 -6.029 0.428 -3.529 1.00 53.41 C ATOM 1239 CG1 ILE A 89 -5.700 1.183 -2.219 1.00 23.35 C ATOM 1240 CG2 ILE A 89 -5.613 1.267 -4.741 1.00 64.21 C ATOM 1241 CD1 ILE A 89 -4.231 1.497 -2.028 1.00 2.44 C ATOM 0 H ILE A 89 -8.566 1.773 -4.197 1.00 43.34 H new ATOM 0 HA ILE A 89 -7.604 -0.992 -3.952 1.00 74.31 H new ATOM 0 HB ILE A 89 -5.459 -0.501 -3.543 1.00 53.41 H new ATOM 0 HG12 ILE A 89 -6.263 2.116 -2.201 1.00 23.35 H new ATOM 0 HG13 ILE A 89 -6.044 0.586 -1.374 1.00 23.35 H new ATOM 0 HG21 ILE A 89 -4.556 1.520 -4.663 1.00 64.21 H new ATOM 0 HG22 ILE A 89 -5.783 0.696 -5.654 1.00 64.21 H new ATOM 0 HG23 ILE A 89 -6.204 2.182 -4.770 1.00 64.21 H new ATOM 0 HD11 ILE A 89 -4.092 2.026 -1.085 1.00 2.44 H new ATOM 0 HD12 ILE A 89 -3.660 0.569 -2.011 1.00 2.44 H new ATOM 0 HD13 ILE A 89 -3.883 2.122 -2.850 1.00 2.44 H new ATOM 1253 N ARG A 90 -8.100 -0.919 -1.434 1.00 32.54 N ATOM 1254 CA ARG A 90 -8.527 -0.909 -0.038 1.00 41.55 C ATOM 1255 C ARG A 90 -7.446 -1.523 0.838 1.00 55.31 C ATOM 1256 O ARG A 90 -7.156 -2.721 0.729 1.00 30.05 O ATOM 1257 CB ARG A 90 -9.853 -1.672 0.161 1.00 21.42 C ATOM 1258 CG ARG A 90 -11.104 -0.822 -0.053 1.00 21.24 C ATOM 1259 CD ARG A 90 -11.426 -0.596 -1.525 1.00 11.15 C ATOM 1260 NE ARG A 90 -12.092 -1.756 -2.122 1.00 50.25 N ATOM 1261 CZ ARG A 90 -12.978 -1.678 -3.114 1.00 64.25 C ATOM 1262 NH1 ARG A 90 -13.236 -0.510 -3.687 1.00 44.13 N ATOM 1263 NH2 ARG A 90 -13.593 -2.771 -3.545 1.00 34.02 N ATOM 0 H ARG A 90 -7.751 -1.822 -1.756 1.00 32.54 H new ATOM 0 HA ARG A 90 -8.692 0.129 0.250 1.00 41.55 H new ATOM 0 HB2 ARG A 90 -9.880 -2.517 -0.527 1.00 21.42 H new ATOM 0 HB3 ARG A 90 -9.875 -2.082 1.171 1.00 21.42 H new ATOM 0 HG2 ARG A 90 -11.953 -1.307 0.429 1.00 21.24 H new ATOM 0 HG3 ARG A 90 -10.969 0.143 0.436 1.00 21.24 H new ATOM 0 HD2 ARG A 90 -12.065 0.281 -1.626 1.00 11.15 H new ATOM 0 HD3 ARG A 90 -10.506 -0.385 -2.070 1.00 11.15 H new ATOM 0 HE ARG A 90 -11.863 -2.680 -1.756 1.00 50.25 H new ATOM 0 HH11 ARG A 90 -12.756 0.332 -3.368 1.00 44.13 H new ATOM 0 HH12 ARG A 90 -13.915 -0.453 -4.446 1.00 44.13 H new ATOM 0 HH21 ARG A 90 -13.388 -3.674 -3.117 1.00 34.02 H new ATOM 0 HH22 ARG A 90 -14.271 -2.709 -4.305 1.00 34.02 H new ATOM 1277 N ILE A 91 -6.835 -0.701 1.683 1.00 71.34 N ATOM 1278 CA ILE A 91 -5.858 -1.179 2.651 1.00 14.14 C ATOM 1279 C ILE A 91 -6.571 -1.531 3.948 1.00 53.23 C ATOM 1280 O ILE A 91 -6.888 -0.654 4.750 1.00 72.24 O ATOM 1281 CB ILE A 91 -4.757 -0.125 2.936 1.00 51.33 C ATOM 1282 CG1 ILE A 91 -4.007 0.230 1.642 1.00 22.41 C ATOM 1283 CG2 ILE A 91 -3.784 -0.630 4.004 1.00 71.24 C ATOM 1284 CD1 ILE A 91 -2.885 1.229 1.835 1.00 45.42 C ATOM 0 H ILE A 91 -7.001 0.305 1.716 1.00 71.34 H new ATOM 0 HA ILE A 91 -5.371 -2.059 2.230 1.00 14.14 H new ATOM 0 HB ILE A 91 -5.236 0.777 3.316 1.00 51.33 H new ATOM 0 HG12 ILE A 91 -3.597 -0.683 1.210 1.00 22.41 H new ATOM 0 HG13 ILE A 91 -4.718 0.633 0.921 1.00 22.41 H new ATOM 0 HG21 ILE A 91 -3.021 0.126 4.187 1.00 71.24 H new ATOM 0 HG22 ILE A 91 -4.328 -0.828 4.928 1.00 71.24 H new ATOM 0 HG23 ILE A 91 -3.309 -1.549 3.659 1.00 71.24 H new ATOM 0 HD11 ILE A 91 -2.405 1.427 0.876 1.00 45.42 H new ATOM 0 HD12 ILE A 91 -3.290 2.158 2.237 1.00 45.42 H new ATOM 0 HD13 ILE A 91 -2.151 0.822 2.531 1.00 45.42 H new ATOM 1296 N ASN A 92 -6.846 -2.813 4.147 1.00 2.13 N ATOM 1297 CA ASN A 92 -7.576 -3.252 5.327 1.00 74.21 C ATOM 1298 C ASN A 92 -6.606 -3.526 6.462 1.00 63.24 C ATOM 1299 O ASN A 92 -5.689 -4.346 6.337 1.00 41.41 O ATOM 1300 CB ASN A 92 -8.440 -4.491 5.044 1.00 3.41 C ATOM 1301 CG ASN A 92 -7.657 -5.677 4.513 1.00 50.24 C ATOM 1302 OD1 ASN A 92 -7.590 -5.896 3.304 1.00 63.04 O ATOM 1303 ND2 ASN A 92 -7.065 -6.451 5.406 1.00 0.42 N ATOM 0 H ASN A 92 -6.576 -3.563 3.510 1.00 2.13 H new ATOM 0 HA ASN A 92 -8.254 -2.449 5.617 1.00 74.21 H new ATOM 0 HB2 ASN A 92 -8.948 -4.785 5.962 1.00 3.41 H new ATOM 0 HB3 ASN A 92 -9.213 -4.226 4.323 1.00 3.41 H new ATOM 0 HD21 ASN A 92 -6.529 -7.264 5.101 1.00 0.42 H new ATOM 0 HD22 ASN A 92 -7.144 -6.236 6.400 1.00 0.42 H new ATOM 1310 N TRP A 93 -6.802 -2.820 7.563 1.00 73.34 N ATOM 1311 CA TRP A 93 -5.932 -2.938 8.716 1.00 54.43 C ATOM 1312 C TRP A 93 -6.467 -4.017 9.647 1.00 21.21 C ATOM 1313 O TRP A 93 -7.476 -3.816 10.320 1.00 45.22 O ATOM 1314 CB TRP A 93 -5.843 -1.590 9.451 1.00 41.53 C ATOM 1315 CG TRP A 93 -5.722 -0.420 8.516 1.00 22.03 C ATOM 1316 CD1 TRP A 93 -4.579 0.073 7.955 1.00 41.04 C ATOM 1317 CD2 TRP A 93 -6.794 0.396 8.029 1.00 3.54 C ATOM 1318 NE1 TRP A 93 -4.878 1.141 7.143 1.00 1.20 N ATOM 1319 CE2 TRP A 93 -6.231 1.360 7.173 1.00 5.40 C ATOM 1320 CE3 TRP A 93 -8.178 0.400 8.230 1.00 45.20 C ATOM 1321 CZ2 TRP A 93 -7.002 2.320 6.525 1.00 4.12 C ATOM 1322 CZ3 TRP A 93 -8.942 1.355 7.587 1.00 21.44 C ATOM 1323 CH2 TRP A 93 -8.351 2.303 6.741 1.00 13.33 C ATOM 0 H TRP A 93 -7.565 -2.153 7.680 1.00 73.34 H new ATOM 0 HA TRP A 93 -4.931 -3.217 8.387 1.00 54.43 H new ATOM 0 HB2 TRP A 93 -6.729 -1.462 10.072 1.00 41.53 H new ATOM 0 HB3 TRP A 93 -4.983 -1.603 10.121 1.00 41.53 H new ATOM 0 HD1 TRP A 93 -3.587 -0.318 8.124 1.00 41.04 H new ATOM 0 HE1 TRP A 93 -4.202 1.683 6.605 1.00 1.20 H new ATOM 0 HE3 TRP A 93 -8.641 -0.331 8.876 1.00 45.20 H new ATOM 0 HZ2 TRP A 93 -6.550 3.053 5.874 1.00 4.12 H new ATOM 0 HZ3 TRP A 93 -10.011 1.371 7.739 1.00 21.44 H new ATOM 0 HH2 TRP A 93 -8.975 3.035 6.250 1.00 13.33 H new ATOM 1334 N VAL A 94 -5.804 -5.165 9.677 1.00 11.22 N ATOM 1335 CA VAL A 94 -6.212 -6.239 10.569 1.00 64.52 C ATOM 1336 C VAL A 94 -5.388 -6.202 11.842 1.00 34.03 C ATOM 1337 O VAL A 94 -4.159 -6.250 11.812 1.00 53.41 O ATOM 1338 CB VAL A 94 -6.112 -7.631 9.895 1.00 65.21 C ATOM 1339 CG1 VAL A 94 -4.784 -7.798 9.149 1.00 34.44 C ATOM 1340 CG2 VAL A 94 -6.311 -8.754 10.917 1.00 65.31 C ATOM 0 H VAL A 94 -4.990 -5.375 9.100 1.00 11.22 H new ATOM 0 HA VAL A 94 -7.262 -6.079 10.816 1.00 64.52 H new ATOM 0 HB VAL A 94 -6.914 -7.698 9.160 1.00 65.21 H new ATOM 0 HG11 VAL A 94 -4.747 -8.785 8.688 1.00 34.44 H new ATOM 0 HG12 VAL A 94 -4.702 -7.034 8.376 1.00 34.44 H new ATOM 0 HG13 VAL A 94 -3.957 -7.694 9.851 1.00 34.44 H new ATOM 0 HG21 VAL A 94 -6.236 -9.719 10.416 1.00 65.31 H new ATOM 0 HG22 VAL A 94 -5.544 -8.684 11.688 1.00 65.31 H new ATOM 0 HG23 VAL A 94 -7.295 -8.659 11.375 1.00 65.31 H new ATOM 1350 N TRP A 95 -6.085 -6.112 12.958 1.00 64.14 N ATOM 1351 CA TRP A 95 -5.453 -6.006 14.264 1.00 23.34 C ATOM 1352 C TRP A 95 -6.149 -6.897 15.288 1.00 12.13 C ATOM 1353 O TRP A 95 -5.646 -7.072 16.395 1.00 41.20 O ATOM 1354 CB TRP A 95 -5.475 -4.541 14.723 1.00 74.41 C ATOM 1355 CG TRP A 95 -6.816 -3.881 14.534 1.00 35.41 C ATOM 1356 CD1 TRP A 95 -7.346 -3.431 13.358 1.00 73.11 C ATOM 1357 CD2 TRP A 95 -7.792 -3.596 15.544 1.00 75.53 C ATOM 1358 NE1 TRP A 95 -8.591 -2.900 13.570 1.00 41.31 N ATOM 1359 CE2 TRP A 95 -8.886 -2.982 14.903 1.00 62.24 C ATOM 1360 CE3 TRP A 95 -7.849 -3.806 16.926 1.00 3.43 C ATOM 1361 CZ2 TRP A 95 -10.019 -2.573 15.596 1.00 30.31 C ATOM 1362 CZ3 TRP A 95 -8.977 -3.396 17.611 1.00 10.30 C ATOM 1363 CH2 TRP A 95 -10.048 -2.789 16.946 1.00 62.51 C ATOM 0 H TRP A 95 -7.105 -6.110 12.988 1.00 64.14 H new ATOM 0 HA TRP A 95 -4.420 -6.345 14.181 1.00 23.34 H new ATOM 0 HB2 TRP A 95 -5.198 -4.493 15.776 1.00 74.41 H new ATOM 0 HB3 TRP A 95 -4.721 -3.982 14.169 1.00 74.41 H new ATOM 0 HD1 TRP A 95 -6.854 -3.486 12.398 1.00 73.11 H new ATOM 0 HE1 TRP A 95 -9.199 -2.508 12.851 1.00 41.31 H new ATOM 0 HE3 TRP A 95 -7.029 -4.278 17.446 1.00 3.43 H new ATOM 0 HZ2 TRP A 95 -10.847 -2.102 15.087 1.00 30.31 H new ATOM 0 HZ3 TRP A 95 -9.033 -3.547 18.679 1.00 10.30 H new ATOM 0 HH2 TRP A 95 -10.916 -2.484 17.511 1.00 62.51 H new ATOM 1374 N ASN A 96 -7.284 -7.484 14.902 1.00 54.22 N ATOM 1375 CA ASN A 96 -8.119 -8.260 15.833 1.00 42.53 C ATOM 1376 C ASN A 96 -9.356 -8.826 15.120 1.00 74.40 C ATOM 1377 O ASN A 96 -9.579 -10.037 15.147 1.00 25.15 O ATOM 1378 CB ASN A 96 -8.569 -7.414 17.057 1.00 5.20 C ATOM 1379 CG ASN A 96 -7.847 -7.776 18.351 1.00 33.31 C ATOM 1380 OD1 ASN A 96 -8.247 -8.700 19.060 1.00 24.24 O ATOM 1381 ND2 ASN A 96 -6.797 -7.039 18.681 1.00 32.12 N ATOM 0 H ASN A 96 -7.650 -7.439 13.951 1.00 54.22 H new ATOM 0 HA ASN A 96 -7.502 -9.082 16.195 1.00 42.53 H new ATOM 0 HB2 ASN A 96 -8.401 -6.359 16.840 1.00 5.20 H new ATOM 0 HB3 ASN A 96 -9.642 -7.542 17.202 1.00 5.20 H new ATOM 0 HD21 ASN A 96 -6.292 -7.229 19.547 1.00 32.12 H new ATOM 0 HD22 ASN A 96 -6.493 -6.281 18.070 1.00 32.12 H new ATOM 1388 N PRO A 97 -10.182 -7.966 14.471 1.00 50.14 N ATOM 1389 CA PRO A 97 -11.426 -8.406 13.833 1.00 44.43 C ATOM 1390 C PRO A 97 -11.207 -8.884 12.396 1.00 54.14 C ATOM 1391 O PRO A 97 -10.118 -8.712 11.838 1.00 24.10 O ATOM 1392 CB PRO A 97 -12.270 -7.129 13.870 1.00 62.44 C ATOM 1393 CG PRO A 97 -11.283 -6.024 13.686 1.00 2.25 C ATOM 1394 CD PRO A 97 -9.982 -6.506 14.290 1.00 31.12 C ATOM 0 HA PRO A 97 -11.884 -9.260 14.332 1.00 44.43 H new ATOM 0 HB2 PRO A 97 -13.021 -7.126 13.080 1.00 62.44 H new ATOM 0 HB3 PRO A 97 -12.803 -7.032 14.816 1.00 62.44 H new ATOM 0 HG2 PRO A 97 -11.157 -5.789 12.629 1.00 2.25 H new ATOM 0 HG3 PRO A 97 -11.625 -5.113 14.177 1.00 2.25 H new ATOM 0 HD2 PRO A 97 -9.137 -6.298 13.633 1.00 31.12 H new ATOM 0 HD3 PRO A 97 -9.777 -6.012 15.239 1.00 31.12 H new ATOM 1402 N PRO A 98 -12.234 -9.521 11.789 1.00 43.32 N ATOM 1403 CA PRO A 98 -12.196 -9.907 10.373 1.00 72.14 C ATOM 1404 C PRO A 98 -11.981 -8.696 9.467 1.00 35.25 C ATOM 1405 O PRO A 98 -12.252 -7.561 9.864 1.00 72.42 O ATOM 1406 CB PRO A 98 -13.582 -10.527 10.127 1.00 31.24 C ATOM 1407 CG PRO A 98 -14.067 -10.934 11.478 1.00 71.03 C ATOM 1408 CD PRO A 98 -13.499 -9.925 12.437 1.00 10.12 C ATOM 0 HA PRO A 98 -11.375 -10.589 10.152 1.00 72.14 H new ATOM 0 HB2 PRO A 98 -14.259 -9.809 9.664 1.00 31.24 H new ATOM 0 HB3 PRO A 98 -13.518 -11.383 9.456 1.00 31.24 H new ATOM 0 HG2 PRO A 98 -15.156 -10.941 11.517 1.00 71.03 H new ATOM 0 HG3 PRO A 98 -13.733 -11.941 11.727 1.00 71.03 H new ATOM 0 HD2 PRO A 98 -14.170 -9.077 12.574 1.00 10.12 H new ATOM 0 HD3 PRO A 98 -13.327 -10.358 13.422 1.00 10.12 H new ATOM 1416 N TRP A 99 -11.517 -8.942 8.248 1.00 55.11 N ATOM 1417 CA TRP A 99 -11.194 -7.864 7.319 1.00 12.23 C ATOM 1418 C TRP A 99 -12.469 -7.158 6.841 1.00 13.13 C ATOM 1419 O TRP A 99 -12.416 -6.012 6.405 1.00 63.43 O ATOM 1420 CB TRP A 99 -10.415 -8.411 6.115 1.00 33.44 C ATOM 1421 CG TRP A 99 -9.243 -9.277 6.489 1.00 32.40 C ATOM 1422 CD1 TRP A 99 -8.018 -8.863 6.929 1.00 61.54 C ATOM 1423 CD2 TRP A 99 -9.187 -10.709 6.447 1.00 25.44 C ATOM 1424 NE1 TRP A 99 -7.207 -9.946 7.158 1.00 70.34 N ATOM 1425 CE2 TRP A 99 -7.902 -11.091 6.873 1.00 34.35 C ATOM 1426 CE3 TRP A 99 -10.102 -11.703 6.094 1.00 23.21 C ATOM 1427 CZ2 TRP A 99 -7.509 -12.426 6.949 1.00 15.55 C ATOM 1428 CZ3 TRP A 99 -9.713 -13.026 6.170 1.00 54.41 C ATOM 1429 CH2 TRP A 99 -8.427 -13.378 6.597 1.00 4.43 C ATOM 0 H TRP A 99 -11.356 -9.879 7.879 1.00 55.11 H new ATOM 0 HA TRP A 99 -10.572 -7.139 7.844 1.00 12.23 H new ATOM 0 HB2 TRP A 99 -11.094 -8.987 5.487 1.00 33.44 H new ATOM 0 HB3 TRP A 99 -10.059 -7.574 5.515 1.00 33.44 H new ATOM 0 HD1 TRP A 99 -7.729 -7.833 7.075 1.00 61.54 H new ATOM 0 HE1 TRP A 99 -6.242 -9.905 7.487 1.00 70.34 H new ATOM 0 HE3 TRP A 99 -11.098 -11.442 5.767 1.00 23.21 H new ATOM 0 HZ2 TRP A 99 -6.516 -12.699 7.274 1.00 15.55 H new ATOM 0 HZ3 TRP A 99 -10.412 -13.802 5.896 1.00 54.41 H new ATOM 0 HH2 TRP A 99 -8.154 -14.422 6.650 1.00 4.43 H new ATOM 1440 N GLY A 100 -13.601 -7.865 6.941 1.00 54.23 N ATOM 1441 CA GLY A 100 -14.892 -7.368 6.466 1.00 15.42 C ATOM 1442 C GLY A 100 -15.137 -5.887 6.733 1.00 2.22 C ATOM 1443 O GLY A 100 -15.283 -5.107 5.788 1.00 62.21 O ATOM 0 H GLY A 100 -13.645 -8.797 7.354 1.00 54.23 H new ATOM 0 HA2 GLY A 100 -14.964 -7.547 5.393 1.00 15.42 H new ATOM 0 HA3 GLY A 100 -15.686 -7.946 6.939 1.00 15.42 H new ATOM 1447 N PRO A 101 -15.210 -5.464 8.009 1.00 23.13 N ATOM 1448 CA PRO A 101 -15.436 -4.051 8.354 1.00 75.24 C ATOM 1449 C PRO A 101 -14.270 -3.163 7.919 1.00 3.45 C ATOM 1450 O PRO A 101 -14.465 -2.113 7.297 1.00 35.33 O ATOM 1451 CB PRO A 101 -15.569 -4.072 9.888 1.00 54.44 C ATOM 1452 CG PRO A 101 -14.874 -5.322 10.318 1.00 41.32 C ATOM 1453 CD PRO A 101 -15.096 -6.315 9.209 1.00 43.53 C ATOM 0 HA PRO A 101 -16.310 -3.637 7.851 1.00 75.24 H new ATOM 0 HB2 PRO A 101 -15.110 -3.191 10.336 1.00 54.44 H new ATOM 0 HB3 PRO A 101 -16.615 -4.077 10.194 1.00 54.44 H new ATOM 0 HG2 PRO A 101 -13.810 -5.144 10.476 1.00 41.32 H new ATOM 0 HG3 PRO A 101 -15.279 -5.691 11.260 1.00 41.32 H new ATOM 0 HD2 PRO A 101 -14.267 -7.018 9.126 1.00 43.53 H new ATOM 0 HD3 PRO A 101 -15.998 -6.904 9.371 1.00 43.53 H new ATOM 1461 N ASP A 102 -13.058 -3.614 8.226 1.00 3.23 N ATOM 1462 CA ASP A 102 -11.841 -2.852 7.951 1.00 2.21 C ATOM 1463 C ASP A 102 -11.534 -2.806 6.451 1.00 65.35 C ATOM 1464 O ASP A 102 -10.588 -2.143 6.024 1.00 71.15 O ATOM 1465 CB ASP A 102 -10.654 -3.425 8.744 1.00 11.22 C ATOM 1466 CG ASP A 102 -10.872 -3.331 10.253 1.00 63.13 C ATOM 1467 OD1 ASP A 102 -10.476 -2.307 10.864 1.00 71.41 O ATOM 1468 OD2 ASP A 102 -11.466 -4.266 10.831 1.00 14.22 O ATOM 0 H ASP A 102 -12.890 -4.516 8.672 1.00 3.23 H new ATOM 0 HA ASP A 102 -12.007 -1.826 8.279 1.00 2.21 H new ATOM 0 HB2 ASP A 102 -10.501 -4.467 8.464 1.00 11.22 H new ATOM 0 HB3 ASP A 102 -9.745 -2.886 8.475 1.00 11.22 H new ATOM 1473 N LYS A 103 -12.338 -3.514 5.653 1.00 62.14 N ATOM 1474 CA LYS A 103 -12.232 -3.449 4.195 1.00 4.35 C ATOM 1475 C LYS A 103 -12.848 -2.146 3.688 1.00 50.02 C ATOM 1476 O LYS A 103 -12.580 -1.723 2.565 1.00 15.00 O ATOM 1477 CB LYS A 103 -12.938 -4.652 3.536 1.00 53.03 C ATOM 1478 CG LYS A 103 -12.051 -5.881 3.323 1.00 10.21 C ATOM 1479 CD LYS A 103 -10.972 -5.626 2.267 1.00 21.00 C ATOM 1480 CE LYS A 103 -10.357 -6.923 1.742 1.00 71.41 C ATOM 1481 NZ LYS A 103 -9.706 -7.727 2.811 1.00 11.25 N ATOM 0 H LYS A 103 -13.069 -4.139 5.993 1.00 62.14 H new ATOM 0 HA LYS A 103 -11.176 -3.481 3.926 1.00 4.35 H new ATOM 0 HB2 LYS A 103 -13.789 -4.939 4.154 1.00 53.03 H new ATOM 0 HB3 LYS A 103 -13.336 -4.337 2.571 1.00 53.03 H new ATOM 0 HG2 LYS A 103 -11.579 -6.157 4.266 1.00 10.21 H new ATOM 0 HG3 LYS A 103 -12.668 -6.726 3.016 1.00 10.21 H new ATOM 0 HD2 LYS A 103 -11.404 -5.069 1.436 1.00 21.00 H new ATOM 0 HD3 LYS A 103 -10.188 -5.002 2.695 1.00 21.00 H new ATOM 0 HE2 LYS A 103 -11.134 -7.521 1.266 1.00 71.41 H new ATOM 0 HE3 LYS A 103 -9.621 -6.686 0.973 1.00 71.41 H new ATOM 0 HZ1 LYS A 103 -9.473 -8.671 2.442 1.00 11.25 H new ATOM 0 HZ2 LYS A 103 -8.835 -7.251 3.121 1.00 11.25 H new ATOM 0 HZ3 LYS A 103 -10.355 -7.822 3.618 1.00 11.25 H new ATOM 1495 N ILE A 104 -13.675 -1.514 4.519 1.00 23.50 N ATOM 1496 CA ILE A 104 -14.218 -0.201 4.195 1.00 52.14 C ATOM 1497 C ILE A 104 -13.292 0.873 4.758 1.00 31.12 C ATOM 1498 O ILE A 104 -13.434 1.307 5.908 1.00 11.14 O ATOM 1499 CB ILE A 104 -15.656 -0.006 4.745 1.00 75.44 C ATOM 1500 CG1 ILE A 104 -16.575 -1.143 4.265 1.00 63.40 C ATOM 1501 CG2 ILE A 104 -16.215 1.355 4.317 1.00 61.33 C ATOM 1502 CD1 ILE A 104 -18.008 -1.025 4.751 1.00 41.33 C ATOM 0 H ILE A 104 -13.981 -1.890 5.417 1.00 23.50 H new ATOM 0 HA ILE A 104 -14.279 -0.119 3.110 1.00 52.14 H new ATOM 0 HB ILE A 104 -15.615 -0.033 5.834 1.00 75.44 H new ATOM 0 HG12 ILE A 104 -16.572 -1.163 3.175 1.00 63.40 H new ATOM 0 HG13 ILE A 104 -16.165 -2.095 4.602 1.00 63.40 H new ATOM 0 HG21 ILE A 104 -17.224 1.474 4.712 1.00 61.33 H new ATOM 0 HG22 ILE A 104 -15.577 2.149 4.706 1.00 61.33 H new ATOM 0 HG23 ILE A 104 -16.242 1.411 3.229 1.00 61.33 H new ATOM 0 HD11 ILE A 104 -18.592 -1.863 4.370 1.00 41.33 H new ATOM 0 HD12 ILE A 104 -18.025 -1.037 5.841 1.00 41.33 H new ATOM 0 HD13 ILE A 104 -18.438 -0.090 4.391 1.00 41.33 H new ATOM 1514 N THR A 105 -12.319 1.262 3.947 1.00 51.04 N ATOM 1515 CA THR A 105 -11.276 2.186 4.361 1.00 63.33 C ATOM 1516 C THR A 105 -11.805 3.619 4.531 1.00 51.32 C ATOM 1517 O THR A 105 -12.991 3.885 4.296 1.00 61.23 O ATOM 1518 CB THR A 105 -10.107 2.130 3.355 1.00 23.34 C ATOM 1519 OG1 THR A 105 -10.603 2.199 2.011 1.00 61.33 O ATOM 1520 CG2 THR A 105 -9.315 0.838 3.528 1.00 13.25 C ATOM 0 H THR A 105 -12.231 0.945 2.982 1.00 51.04 H new ATOM 0 HA THR A 105 -10.915 1.877 5.342 1.00 63.33 H new ATOM 0 HB THR A 105 -9.455 2.982 3.547 1.00 23.34 H new ATOM 0 HG1 THR A 105 -11.263 2.920 1.943 1.00 61.33 H new ATOM 0 HG21 THR A 105 -8.495 0.815 2.811 1.00 13.25 H new ATOM 0 HG22 THR A 105 -8.913 0.790 4.540 1.00 13.25 H new ATOM 0 HG23 THR A 105 -9.970 -0.016 3.357 1.00 13.25 H new ATOM 1528 N GLU A 106 -10.925 4.538 4.941 1.00 11.32 N ATOM 1529 CA GLU A 106 -11.342 5.878 5.366 1.00 4.52 C ATOM 1530 C GLU A 106 -12.075 6.643 4.263 1.00 53.13 C ATOM 1531 O GLU A 106 -12.932 7.476 4.557 1.00 15.33 O ATOM 1532 CB GLU A 106 -10.149 6.699 5.877 1.00 2.00 C ATOM 1533 CG GLU A 106 -9.583 6.194 7.203 1.00 22.33 C ATOM 1534 CD GLU A 106 -8.610 7.171 7.848 1.00 15.34 C ATOM 1535 OE1 GLU A 106 -7.389 6.937 7.786 1.00 44.44 O ATOM 1536 OE2 GLU A 106 -9.071 8.179 8.429 1.00 24.23 O ATOM 0 H GLU A 106 -9.919 4.378 4.988 1.00 11.32 H new ATOM 0 HA GLU A 106 -12.045 5.732 6.186 1.00 4.52 H new ATOM 0 HB2 GLU A 106 -9.360 6.684 5.125 1.00 2.00 H new ATOM 0 HB3 GLU A 106 -10.457 7.738 5.995 1.00 2.00 H new ATOM 0 HG2 GLU A 106 -10.405 6.001 7.892 1.00 22.33 H new ATOM 0 HG3 GLU A 106 -9.077 5.243 7.036 1.00 22.33 H new ATOM 1543 N ASP A 107 -11.762 6.347 3.005 1.00 2.42 N ATOM 1544 CA ASP A 107 -12.408 7.022 1.872 1.00 73.42 C ATOM 1545 C ASP A 107 -13.924 6.807 1.924 1.00 22.15 C ATOM 1546 O ASP A 107 -14.707 7.714 1.629 1.00 12.43 O ATOM 1547 CB ASP A 107 -11.841 6.513 0.531 1.00 4.11 C ATOM 1548 CG ASP A 107 -12.205 5.061 0.238 1.00 22.44 C ATOM 1549 OD1 ASP A 107 -12.575 4.753 -0.917 1.00 72.42 O ATOM 1550 OD2 ASP A 107 -12.127 4.231 1.165 1.00 41.24 O ATOM 0 H ASP A 107 -11.068 5.648 2.740 1.00 2.42 H new ATOM 0 HA ASP A 107 -12.199 8.089 1.945 1.00 73.42 H new ATOM 0 HB2 ASP A 107 -12.213 7.144 -0.276 1.00 4.11 H new ATOM 0 HB3 ASP A 107 -10.756 6.614 0.541 1.00 4.11 H new ATOM 1555 N GLY A 108 -14.326 5.598 2.308 1.00 52.11 N ATOM 1556 CA GLY A 108 -15.737 5.279 2.460 1.00 22.53 C ATOM 1557 C GLY A 108 -16.300 5.756 3.788 1.00 40.22 C ATOM 1558 O GLY A 108 -17.490 6.041 3.902 1.00 33.45 O ATOM 0 H GLY A 108 -13.693 4.826 2.519 1.00 52.11 H new ATOM 0 HA2 GLY A 108 -16.299 5.735 1.645 1.00 22.53 H new ATOM 0 HA3 GLY A 108 -15.874 4.201 2.377 1.00 22.53 H new ATOM 1562 N ARG A 109 -15.434 5.838 4.795 1.00 70.24 N ATOM 1563 CA ARG A 109 -15.847 6.197 6.154 1.00 35.33 C ATOM 1564 C ARG A 109 -16.188 7.687 6.265 1.00 50.42 C ATOM 1565 O ARG A 109 -17.237 8.054 6.793 1.00 74.44 O ATOM 1566 CB ARG A 109 -14.724 5.862 7.150 1.00 33.33 C ATOM 1567 CG ARG A 109 -14.312 4.387 7.180 1.00 53.20 C ATOM 1568 CD ARG A 109 -15.203 3.538 8.085 1.00 3.43 C ATOM 1569 NE ARG A 109 -16.587 3.446 7.614 1.00 74.05 N ATOM 1570 CZ ARG A 109 -17.268 2.301 7.518 1.00 11.53 C ATOM 1571 NH1 ARG A 109 -16.669 1.138 7.754 1.00 4.45 N ATOM 1572 NH2 ARG A 109 -18.543 2.313 7.160 1.00 32.31 N ATOM 0 H ARG A 109 -14.435 5.660 4.697 1.00 70.24 H new ATOM 0 HA ARG A 109 -16.741 5.620 6.389 1.00 35.33 H new ATOM 0 HB2 ARG A 109 -13.849 6.464 6.906 1.00 33.33 H new ATOM 0 HB3 ARG A 109 -15.044 6.156 8.150 1.00 33.33 H new ATOM 0 HG2 ARG A 109 -14.344 3.986 6.167 1.00 53.20 H new ATOM 0 HG3 ARG A 109 -13.279 4.310 7.520 1.00 53.20 H new ATOM 0 HD2 ARG A 109 -14.784 2.534 8.158 1.00 3.43 H new ATOM 0 HD3 ARG A 109 -15.196 3.960 9.090 1.00 3.43 H new ATOM 0 HE ARG A 109 -17.059 4.309 7.343 1.00 74.05 H new ATOM 0 HH11 ARG A 109 -15.682 1.115 8.011 1.00 4.45 H new ATOM 0 HH12 ARG A 109 -17.196 0.268 7.679 1.00 4.45 H new ATOM 0 HH21 ARG A 109 -19.007 3.198 6.957 1.00 32.31 H new ATOM 0 HH22 ARG A 109 -19.061 1.437 7.087 1.00 32.31 H new ATOM 1586 N GLU A 110 -15.291 8.533 5.761 1.00 32.10 N ATOM 1587 CA GLU A 110 -15.369 9.980 5.982 1.00 22.13 C ATOM 1588 C GLU A 110 -16.481 10.643 5.183 1.00 32.22 C ATOM 1589 O GLU A 110 -17.171 11.537 5.679 1.00 71.32 O ATOM 1590 CB GLU A 110 -14.025 10.643 5.646 1.00 43.32 C ATOM 1591 CG GLU A 110 -12.850 10.089 6.446 1.00 1.01 C ATOM 1592 CD GLU A 110 -11.561 10.857 6.209 1.00 43.11 C ATOM 1593 OE1 GLU A 110 -11.098 10.907 5.051 1.00 72.40 O ATOM 1594 OE2 GLU A 110 -11.003 11.413 7.181 1.00 53.22 O ATOM 0 H GLU A 110 -14.496 8.241 5.193 1.00 32.10 H new ATOM 0 HA GLU A 110 -15.602 10.121 7.037 1.00 22.13 H new ATOM 0 HB2 GLU A 110 -13.822 10.514 4.583 1.00 43.32 H new ATOM 0 HB3 GLU A 110 -14.103 11.715 5.828 1.00 43.32 H new ATOM 0 HG2 GLU A 110 -13.094 10.117 7.508 1.00 1.01 H new ATOM 0 HG3 GLU A 110 -12.698 9.043 6.182 1.00 1.01 H new ATOM 1601 N GLN A 111 -16.665 10.203 3.957 1.00 5.31 N ATOM 1602 CA GLN A 111 -17.504 10.927 3.017 1.00 2.31 C ATOM 1603 C GLN A 111 -18.951 10.437 3.056 1.00 74.23 C ATOM 1604 O GLN A 111 -19.365 9.591 2.260 1.00 45.34 O ATOM 1605 CB GLN A 111 -16.891 10.818 1.622 1.00 30.01 C ATOM 1606 CG GLN A 111 -15.385 11.075 1.637 1.00 13.43 C ATOM 1607 CD GLN A 111 -14.785 11.197 0.244 1.00 14.51 C ATOM 1608 OE1 GLN A 111 -15.444 11.644 -0.696 1.00 74.10 O ATOM 1609 NE2 GLN A 111 -13.531 10.804 0.100 1.00 23.15 N ATOM 0 H GLN A 111 -16.248 9.350 3.585 1.00 5.31 H new ATOM 0 HA GLN A 111 -17.542 11.979 3.301 1.00 2.31 H new ATOM 0 HB2 GLN A 111 -17.085 9.825 1.217 1.00 30.01 H new ATOM 0 HB3 GLN A 111 -17.374 11.533 0.957 1.00 30.01 H new ATOM 0 HG2 GLN A 111 -15.184 11.990 2.194 1.00 13.43 H new ATOM 0 HG3 GLN A 111 -14.889 10.263 2.169 1.00 13.43 H new ATOM 0 HE21 GLN A 111 -13.016 10.439 0.901 1.00 23.15 H new ATOM 0 HE22 GLN A 111 -13.079 10.866 -0.812 1.00 23.15 H new ATOM 1618 N LEU A 112 -19.703 10.960 4.019 1.00 14.23 N ATOM 1619 CA LEU A 112 -21.125 10.659 4.150 1.00 71.43 C ATOM 1620 C LEU A 112 -21.944 11.716 3.414 1.00 53.30 C ATOM 1621 O LEU A 112 -21.478 12.838 3.206 1.00 55.34 O ATOM 1622 CB LEU A 112 -21.527 10.611 5.633 1.00 45.14 C ATOM 1623 CG LEU A 112 -22.977 10.179 5.923 1.00 2.35 C ATOM 1624 CD1 LEU A 112 -23.237 8.759 5.420 1.00 14.10 C ATOM 1625 CD2 LEU A 112 -23.283 10.288 7.417 1.00 21.22 C ATOM 0 H LEU A 112 -19.347 11.601 4.728 1.00 14.23 H new ATOM 0 HA LEU A 112 -21.323 9.683 3.708 1.00 71.43 H new ATOM 0 HB2 LEU A 112 -20.854 9.927 6.150 1.00 45.14 H new ATOM 0 HB3 LEU A 112 -21.370 11.600 6.064 1.00 45.14 H new ATOM 0 HG LEU A 112 -23.644 10.853 5.386 1.00 2.35 H new ATOM 0 HD11 LEU A 112 -24.268 8.479 5.637 1.00 14.10 H new ATOM 0 HD12 LEU A 112 -23.069 8.718 4.344 1.00 14.10 H new ATOM 0 HD13 LEU A 112 -22.560 8.066 5.920 1.00 14.10 H new ATOM 0 HD21 LEU A 112 -24.312 9.979 7.601 1.00 21.22 H new ATOM 0 HD22 LEU A 112 -22.605 9.643 7.975 1.00 21.22 H new ATOM 0 HD23 LEU A 112 -23.151 11.320 7.741 1.00 21.22 H new ATOM 1637 N ARG A 113 -23.170 11.361 3.051 1.00 32.44 N ATOM 1638 CA ARG A 113 -24.021 12.221 2.223 1.00 4.03 C ATOM 1639 C ARG A 113 -24.388 13.513 2.961 1.00 61.33 C ATOM 1640 O ARG A 113 -24.408 14.594 2.367 1.00 22.32 O ATOM 1641 CB ARG A 113 -25.297 11.472 1.816 1.00 40.51 C ATOM 1642 CG ARG A 113 -25.035 10.114 1.172 1.00 10.11 C ATOM 1643 CD ARG A 113 -26.330 9.423 0.754 1.00 74.33 C ATOM 1644 NE ARG A 113 -27.311 9.382 1.845 1.00 5.31 N ATOM 1645 CZ ARG A 113 -27.736 8.266 2.441 1.00 43.11 C ATOM 1646 NH1 ARG A 113 -27.227 7.088 2.102 1.00 40.31 N ATOM 1647 NH2 ARG A 113 -28.649 8.335 3.400 1.00 22.34 N ATOM 0 H ARG A 113 -23.604 10.477 3.317 1.00 32.44 H new ATOM 0 HA ARG A 113 -23.459 12.486 1.328 1.00 4.03 H new ATOM 0 HB2 ARG A 113 -25.921 11.331 2.698 1.00 40.51 H new ATOM 0 HB3 ARG A 113 -25.864 12.090 1.120 1.00 40.51 H new ATOM 0 HG2 ARG A 113 -24.395 10.243 0.299 1.00 10.11 H new ATOM 0 HG3 ARG A 113 -24.494 9.478 1.873 1.00 10.11 H new ATOM 0 HD2 ARG A 113 -26.760 9.946 -0.100 1.00 74.33 H new ATOM 0 HD3 ARG A 113 -26.109 8.407 0.427 1.00 74.33 H new ATOM 0 HE ARG A 113 -27.695 10.269 2.171 1.00 5.31 H new ATOM 0 HH11 ARG A 113 -26.507 7.032 1.382 1.00 40.31 H new ATOM 0 HH12 ARG A 113 -27.556 6.239 2.561 1.00 40.31 H new ATOM 0 HH21 ARG A 113 -29.026 9.240 3.681 1.00 22.34 H new ATOM 0 HH22 ARG A 113 -28.975 7.483 3.856 1.00 22.34 H new ATOM 1661 N ALA A 114 -24.672 13.391 4.257 1.00 72.10 N ATOM 1662 CA ALA A 114 -25.054 14.538 5.087 1.00 32.01 C ATOM 1663 C ALA A 114 -23.970 15.615 5.094 1.00 71.01 C ATOM 1664 O ALA A 114 -24.258 16.797 5.314 1.00 32.14 O ATOM 1665 CB ALA A 114 -25.346 14.084 6.513 1.00 72.44 C ATOM 0 H ALA A 114 -24.645 12.504 4.760 1.00 72.10 H new ATOM 0 HA ALA A 114 -25.955 14.972 4.654 1.00 32.01 H new ATOM 0 HB1 ALA A 114 -25.628 14.945 7.118 1.00 72.44 H new ATOM 0 HB2 ALA A 114 -26.163 13.363 6.505 1.00 72.44 H new ATOM 0 HB3 ALA A 114 -24.456 13.619 6.936 1.00 72.44 H new ATOM 1671 N LEU A 115 -22.731 15.205 4.824 1.00 33.12 N ATOM 1672 CA LEU A 115 -21.575 16.102 4.886 1.00 24.42 C ATOM 1673 C LEU A 115 -21.363 16.827 3.554 1.00 14.24 C ATOM 1674 O LEU A 115 -20.249 17.245 3.235 1.00 13.13 O ATOM 1675 CB LEU A 115 -20.319 15.300 5.271 1.00 62.15 C ATOM 1676 CG LEU A 115 -20.389 14.592 6.636 1.00 0.04 C ATOM 1677 CD1 LEU A 115 -19.106 13.806 6.902 1.00 63.54 C ATOM 1678 CD2 LEU A 115 -20.649 15.603 7.753 1.00 33.44 C ATOM 0 H LEU A 115 -22.500 14.248 4.558 1.00 33.12 H new ATOM 0 HA LEU A 115 -21.765 16.860 5.646 1.00 24.42 H new ATOM 0 HB2 LEU A 115 -20.134 14.552 4.500 1.00 62.15 H new ATOM 0 HB3 LEU A 115 -19.463 15.974 5.272 1.00 62.15 H new ATOM 0 HG LEU A 115 -21.220 13.887 6.615 1.00 0.04 H new ATOM 0 HD11 LEU A 115 -19.176 13.313 7.872 1.00 63.54 H new ATOM 0 HD12 LEU A 115 -18.971 13.056 6.123 1.00 63.54 H new ATOM 0 HD13 LEU A 115 -18.255 14.487 6.902 1.00 63.54 H new ATOM 0 HD21 LEU A 115 -20.695 15.084 8.710 1.00 33.44 H new ATOM 0 HD22 LEU A 115 -19.842 16.335 7.776 1.00 33.44 H new ATOM 0 HD23 LEU A 115 -21.595 16.112 7.570 1.00 33.44 H new ATOM 1690 N GLY A 116 -22.443 16.986 2.791 1.00 71.01 N ATOM 1691 CA GLY A 116 -22.383 17.714 1.534 1.00 3.54 C ATOM 1692 C GLY A 116 -21.894 19.139 1.718 1.00 4.10 C ATOM 1693 O GLY A 116 -21.211 19.688 0.851 1.00 13.24 O ATOM 0 H GLY A 116 -23.366 16.620 3.024 1.00 71.01 H new ATOM 0 HA2 GLY A 116 -21.720 17.191 0.845 1.00 3.54 H new ATOM 0 HA3 GLY A 116 -23.372 17.728 1.077 1.00 3.54 H new ATOM 1697 N PHE A 117 -22.247 19.744 2.851 1.00 44.12 N ATOM 1698 CA PHE A 117 -21.767 21.080 3.192 1.00 50.42 C ATOM 1699 C PHE A 117 -21.085 21.048 4.559 1.00 13.53 C ATOM 1700 O PHE A 117 -21.630 20.502 5.524 1.00 24.12 O ATOM 1701 CB PHE A 117 -22.912 22.111 3.171 1.00 51.55 C ATOM 1702 CG PHE A 117 -23.963 21.919 4.242 1.00 55.43 C ATOM 1703 CD1 PHE A 117 -24.917 20.918 4.130 1.00 41.24 C ATOM 1704 CD2 PHE A 117 -24.000 22.750 5.355 1.00 73.31 C ATOM 1705 CE1 PHE A 117 -25.882 20.748 5.105 1.00 0.25 C ATOM 1706 CE2 PHE A 117 -24.964 22.583 6.332 1.00 10.33 C ATOM 1707 CZ PHE A 117 -25.905 21.581 6.207 1.00 11.34 C ATOM 0 H PHE A 117 -22.865 19.329 3.549 1.00 44.12 H new ATOM 0 HA PHE A 117 -21.041 21.390 2.440 1.00 50.42 H new ATOM 0 HB2 PHE A 117 -22.485 23.108 3.276 1.00 51.55 H new ATOM 0 HB3 PHE A 117 -23.397 22.073 2.196 1.00 51.55 H new ATOM 0 HD1 PHE A 117 -24.906 20.264 3.271 1.00 41.24 H new ATOM 0 HD2 PHE A 117 -23.267 23.536 5.458 1.00 73.31 H new ATOM 0 HE1 PHE A 117 -26.618 19.964 5.005 1.00 0.25 H new ATOM 0 HE2 PHE A 117 -24.981 23.236 7.192 1.00 10.33 H new ATOM 0 HZ PHE A 117 -26.658 21.448 6.970 1.00 11.34 H new ATOM 1717 N THR A 118 -19.891 21.623 4.631 1.00 63.41 N ATOM 1718 CA THR A 118 -19.099 21.616 5.853 1.00 72.32 C ATOM 1719 C THR A 118 -18.434 22.975 6.061 1.00 74.32 C ATOM 1720 O THR A 118 -18.298 23.762 5.116 1.00 64.31 O ATOM 1721 CB THR A 118 -18.018 20.505 5.814 1.00 44.34 C ATOM 1722 OG1 THR A 118 -17.265 20.497 7.036 1.00 74.22 O ATOM 1723 CG2 THR A 118 -17.070 20.699 4.634 1.00 32.22 C ATOM 0 H THR A 118 -19.447 22.104 3.849 1.00 63.41 H new ATOM 0 HA THR A 118 -19.772 21.412 6.686 1.00 72.32 H new ATOM 0 HB THR A 118 -18.529 19.550 5.696 1.00 44.34 H new ATOM 0 HG1 THR A 118 -16.588 19.790 6.998 1.00 74.22 H new ATOM 0 HG21 THR A 118 -16.323 19.905 4.633 1.00 32.22 H new ATOM 0 HG22 THR A 118 -17.636 20.666 3.703 1.00 32.22 H new ATOM 0 HG23 THR A 118 -16.573 21.665 4.722 1.00 32.22 H new ATOM 1731 N VAL A 119 -18.028 23.243 7.298 1.00 75.55 N ATOM 1732 CA VAL A 119 -17.378 24.499 7.654 1.00 70.03 C ATOM 1733 C VAL A 119 -15.908 24.252 8.024 1.00 13.22 C ATOM 1734 O VAL A 119 -15.051 24.338 7.117 1.00 42.14 O ATOM 1735 CB VAL A 119 -18.135 25.231 8.805 1.00 33.55 C ATOM 1736 CG1 VAL A 119 -19.382 25.934 8.263 1.00 25.32 C ATOM 1737 CG2 VAL A 119 -18.524 24.257 9.922 1.00 53.42 C ATOM 1738 OXT VAL A 119 -15.612 23.958 9.203 1.00 0.00 O ATOM 0 H VAL A 119 -18.140 22.597 8.080 1.00 75.55 H new ATOM 0 HA VAL A 119 -17.409 25.154 6.783 1.00 70.03 H new ATOM 0 HB VAL A 119 -17.461 25.977 9.225 1.00 33.55 H new ATOM 0 HG11 VAL A 119 -19.898 26.440 9.079 1.00 25.32 H new ATOM 0 HG12 VAL A 119 -19.089 26.666 7.510 1.00 25.32 H new ATOM 0 HG13 VAL A 119 -20.048 25.198 7.813 1.00 25.32 H new ATOM 0 HG21 VAL A 119 -19.050 24.797 10.709 1.00 53.42 H new ATOM 0 HG22 VAL A 119 -19.174 23.481 9.518 1.00 53.42 H new ATOM 0 HG23 VAL A 119 -17.625 23.799 10.335 1.00 53.42 H new TER 1748 VAL A 119