USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 799 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 72 LYS NZ :NH3+ 155:sc= 0.567 (180deg=0) USER MOD Set 1.2: A 98 ASN : amide:sc= 0.302 K(o=0.87,f=-5.7!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.786 USER MOD Set 2.2: A 25 GLN : amide:sc= 0 K(o=-0.79,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 38:sc= 1 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -170:sc= -6.15! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.338 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.98) USER MOD Single : A 32 SER OG : rot -160:sc= -0.788 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 44 ASN : amide:sc= -1.33 K(o=-1.3,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -64:sc= -0.566 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-0.07) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0467 K(o=-0.047,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -113:sc= -0.76 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.7) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00286 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 90.621 8.808 -9.908 1.00 0.00 N ATOM 2 CA GLY A -1 91.022 9.586 -8.701 1.00 0.00 C ATOM 3 C GLY A -1 92.458 9.227 -8.315 1.00 0.00 C ATOM 4 O GLY A -1 92.791 8.069 -8.147 1.00 0.00 O ATOM 0 H1 GLY A -1 89.645 9.052 -10.170 1.00 0.00 H new ATOM 0 H2 GLY A -1 91.259 9.037 -10.697 1.00 0.00 H new ATOM 0 H3 GLY A -1 90.679 7.791 -9.700 1.00 0.00 H new ATOM 0 HA2 GLY A -1 90.945 10.655 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A -1 90.347 9.368 -7.874 1.00 0.00 H new ATOM 10 N ALA A 0 93.306 10.216 -8.172 1.00 0.00 N ATOM 11 CA ALA A 0 94.730 9.945 -7.794 1.00 0.00 C ATOM 12 C ALA A 0 94.792 9.278 -6.417 1.00 0.00 C ATOM 13 O ALA A 0 95.654 8.459 -6.155 1.00 0.00 O ATOM 14 CB ALA A 0 95.411 11.316 -7.754 1.00 0.00 C ATOM 0 H ALA A 0 93.074 11.201 -8.301 1.00 0.00 H new ATOM 0 HA ALA A 0 95.218 9.273 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 0 96.460 11.194 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 0 95.342 11.785 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 0 94.916 11.947 -7.015 1.00 0.00 H new ATOM 20 N MET A 1 93.882 9.627 -5.540 1.00 0.00 N ATOM 21 CA MET A 1 93.872 9.018 -4.174 1.00 0.00 C ATOM 22 C MET A 1 93.205 7.641 -4.219 1.00 0.00 C ATOM 23 O MET A 1 93.583 6.737 -3.495 1.00 0.00 O ATOM 24 CB MET A 1 93.064 9.986 -3.308 1.00 0.00 C ATOM 25 CG MET A 1 93.814 11.314 -3.191 1.00 0.00 C ATOM 26 SD MET A 1 92.923 12.412 -2.061 1.00 0.00 S ATOM 27 CE MET A 1 93.986 13.862 -2.271 1.00 0.00 C ATOM 0 H MET A 1 93.144 10.309 -5.713 1.00 0.00 H new ATOM 0 HA MET A 1 94.877 8.871 -3.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 92.080 10.149 -3.748 1.00 0.00 H new ATOM 0 HB3 MET A 1 92.904 9.558 -2.318 1.00 0.00 H new ATOM 0 HG2 MET A 1 94.826 11.141 -2.825 1.00 0.00 H new ATOM 0 HG3 MET A 1 93.905 11.780 -4.172 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.614 14.678 -1.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 95.004 13.613 -1.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.981 14.169 -3.317 1.00 0.00 H new ATOM 37 N GLY A 2 92.215 7.481 -5.062 1.00 0.00 N ATOM 38 CA GLY A 2 91.523 6.164 -5.181 1.00 0.00 C ATOM 39 C GLY A 2 91.997 5.454 -6.464 1.00 0.00 C ATOM 40 O GLY A 2 91.695 5.912 -7.548 1.00 0.00 O ATOM 0 H GLY A 2 91.856 8.212 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 2 91.739 5.547 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 2 90.443 6.309 -5.210 1.00 0.00 H new ATOM 44 N PRO A 3 92.725 4.355 -6.324 1.00 0.00 N ATOM 45 CA PRO A 3 93.249 3.650 -7.526 1.00 0.00 C ATOM 46 C PRO A 3 92.103 3.233 -8.456 1.00 0.00 C ATOM 47 O PRO A 3 91.093 2.722 -8.014 1.00 0.00 O ATOM 48 CB PRO A 3 93.960 2.418 -6.964 1.00 0.00 C ATOM 49 CG PRO A 3 94.194 2.712 -5.517 1.00 0.00 C ATOM 50 CD PRO A 3 93.127 3.676 -5.080 1.00 0.00 C ATOM 0 HA PRO A 3 93.911 4.280 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 3 93.350 1.523 -7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 3 94.901 2.237 -7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 3 94.150 1.797 -4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 3 95.185 3.141 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 3 92.286 3.158 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 3 93.507 4.385 -4.344 1.00 0.00 H new ATOM 58 N THR A 4 92.257 3.455 -9.739 1.00 0.00 N ATOM 59 CA THR A 4 91.210 3.025 -10.715 1.00 0.00 C ATOM 60 C THR A 4 91.596 1.688 -11.354 1.00 0.00 C ATOM 61 O THR A 4 92.516 1.616 -12.148 1.00 0.00 O ATOM 62 CB THR A 4 91.183 4.131 -11.772 1.00 0.00 C ATOM 63 OG1 THR A 4 92.478 4.277 -12.336 1.00 0.00 O ATOM 64 CG2 THR A 4 90.755 5.449 -11.124 1.00 0.00 C ATOM 0 H THR A 4 93.067 3.918 -10.153 1.00 0.00 H new ATOM 0 HA THR A 4 90.238 2.882 -10.242 1.00 0.00 H new ATOM 0 HB THR A 4 90.473 3.867 -12.556 1.00 0.00 H new ATOM 0 HG1 THR A 4 92.896 3.395 -12.427 1.00 0.00 H new ATOM 0 HG21 THR A 4 90.736 6.236 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 4 89.760 5.336 -10.692 1.00 0.00 H new ATOM 0 HG23 THR A 4 91.463 5.715 -10.339 1.00 0.00 H new ATOM 72 N ASP A 5 90.899 0.632 -11.010 1.00 0.00 N ATOM 73 CA ASP A 5 91.198 -0.703 -11.616 1.00 0.00 C ATOM 74 C ASP A 5 90.073 -1.698 -11.316 1.00 0.00 C ATOM 75 O ASP A 5 89.233 -1.460 -10.468 1.00 0.00 O ATOM 76 CB ASP A 5 92.513 -1.154 -10.966 1.00 0.00 C ATOM 77 CG ASP A 5 92.383 -1.209 -9.432 1.00 0.00 C ATOM 78 OD1 ASP A 5 91.272 -1.122 -8.931 1.00 0.00 O ATOM 79 OD2 ASP A 5 93.408 -1.339 -8.783 1.00 0.00 O ATOM 0 H ASP A 5 90.135 0.637 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 5 91.280 -0.649 -12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 5 92.792 -2.137 -11.346 1.00 0.00 H new ATOM 0 HB3 ASP A 5 93.313 -0.467 -11.242 1.00 0.00 H new ATOM 84 N GLN A 6 90.056 -2.811 -12.008 1.00 0.00 N ATOM 85 CA GLN A 6 89.043 -3.877 -11.710 1.00 0.00 C ATOM 86 C GLN A 6 89.354 -4.604 -10.392 1.00 0.00 C ATOM 87 O GLN A 6 88.572 -5.423 -9.939 1.00 0.00 O ATOM 88 CB GLN A 6 89.124 -4.851 -12.887 1.00 0.00 C ATOM 89 CG GLN A 6 88.725 -4.128 -14.177 1.00 0.00 C ATOM 90 CD GLN A 6 88.855 -5.084 -15.366 1.00 0.00 C ATOM 91 OE1 GLN A 6 89.569 -6.067 -15.300 1.00 0.00 O ATOM 92 NE2 GLN A 6 88.188 -4.838 -16.460 1.00 0.00 N ATOM 0 H GLN A 6 90.700 -3.030 -12.768 1.00 0.00 H new ATOM 0 HA GLN A 6 88.047 -3.450 -11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 6 90.136 -5.246 -12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 6 88.464 -5.701 -12.715 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.700 -3.765 -14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 6 89.361 -3.256 -14.328 1.00 0.00 H new ATOM 0 HE21 GLN A 6 87.589 -4.015 -16.518 1.00 0.00 H new ATOM 0 HE22 GLN A 6 88.266 -5.469 -17.258 1.00 0.00 H new ATOM 101 N ASP A 7 90.476 -4.320 -9.776 1.00 0.00 N ATOM 102 CA ASP A 7 90.830 -4.996 -8.489 1.00 0.00 C ATOM 103 C ASP A 7 89.878 -4.543 -7.377 1.00 0.00 C ATOM 104 O ASP A 7 89.627 -5.272 -6.436 1.00 0.00 O ATOM 105 CB ASP A 7 92.268 -4.567 -8.178 1.00 0.00 C ATOM 106 CG ASP A 7 93.217 -5.091 -9.263 1.00 0.00 C ATOM 107 OD1 ASP A 7 92.918 -6.125 -9.840 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.226 -4.448 -9.496 1.00 0.00 O ATOM 0 H ASP A 7 91.164 -3.646 -10.111 1.00 0.00 H new ATOM 0 HA ASP A 7 90.745 -6.080 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.329 -3.480 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.569 -4.952 -7.203 1.00 0.00 H new ATOM 113 N TRP A 8 89.351 -3.345 -7.482 1.00 0.00 N ATOM 114 CA TRP A 8 88.440 -2.825 -6.418 1.00 0.00 C ATOM 115 C TRP A 8 87.043 -3.446 -6.527 1.00 0.00 C ATOM 116 O TRP A 8 86.253 -3.342 -5.610 1.00 0.00 O ATOM 117 CB TRP A 8 88.364 -1.314 -6.624 1.00 0.00 C ATOM 118 CG TRP A 8 89.484 -0.557 -5.983 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.149 0.468 -6.568 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.082 -0.737 -4.663 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.121 0.940 -5.699 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.136 0.239 -4.514 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.833 -1.645 -3.567 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.920 0.319 -3.323 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.620 -1.569 -2.367 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.663 -0.589 -2.248 1.00 0.00 C ATOM 0 H TRP A 8 89.514 -2.706 -8.260 1.00 0.00 H new ATOM 0 HA TRP A 8 88.819 -3.080 -5.428 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.361 -1.103 -7.693 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.417 -0.950 -6.225 1.00 0.00 H new ATOM 0 HD1 TRP A 8 89.953 0.857 -7.556 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.750 1.714 -5.912 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.051 -2.385 -3.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.701 1.060 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.427 -2.251 -1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.254 -0.537 -1.346 1.00 0.00 H new ATOM 137 N ILE A 9 86.717 -4.095 -7.626 1.00 0.00 N ATOM 138 CA ILE A 9 85.306 -4.572 -7.824 1.00 0.00 C ATOM 139 C ILE A 9 84.887 -5.476 -6.652 1.00 0.00 C ATOM 140 O ILE A 9 85.583 -6.408 -6.292 1.00 0.00 O ATOM 141 CB ILE A 9 85.305 -5.354 -9.152 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.737 -4.441 -10.319 1.00 0.00 C ATOM 143 CG2 ILE A 9 83.897 -5.896 -9.434 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.805 -3.226 -10.427 1.00 0.00 C ATOM 0 H ILE A 9 87.361 -4.313 -8.387 1.00 0.00 H new ATOM 0 HA ILE A 9 84.597 -3.745 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 9 86.011 -6.180 -9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.763 -4.107 -10.166 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.721 -5.003 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 9 83.901 -6.448 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.594 -6.560 -8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.195 -5.065 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.125 -2.594 -11.255 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.784 -3.565 -10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.843 -2.655 -9.499 1.00 0.00 H new ATOM 156 N GLY A 10 83.752 -5.196 -6.064 1.00 0.00 N ATOM 157 CA GLY A 10 83.296 -5.969 -4.872 1.00 0.00 C ATOM 158 C GLY A 10 83.899 -5.420 -3.567 1.00 0.00 C ATOM 159 O GLY A 10 83.613 -5.939 -2.502 1.00 0.00 O ATOM 0 H GLY A 10 83.116 -4.457 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.208 -5.935 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.576 -7.016 -4.989 1.00 0.00 H new ATOM 163 N CYS A 11 84.726 -4.386 -3.621 1.00 0.00 N ATOM 164 CA CYS A 11 85.300 -3.830 -2.347 1.00 0.00 C ATOM 165 C CYS A 11 84.300 -2.866 -1.682 1.00 0.00 C ATOM 166 O CYS A 11 83.452 -2.294 -2.341 1.00 0.00 O ATOM 167 CB CYS A 11 86.650 -3.158 -2.733 1.00 0.00 C ATOM 168 SG CYS A 11 86.453 -1.472 -3.407 1.00 0.00 S ATOM 0 H CYS A 11 85.020 -3.915 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 11 85.484 -4.603 -1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.292 -3.117 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.159 -3.779 -3.470 1.00 0.00 H new ATOM 0 HG CYS A 11 87.586 -1.066 -3.898 1.00 0.00 H new ATOM 174 N ALA A 12 84.401 -2.690 -0.388 1.00 0.00 N ATOM 175 CA ALA A 12 83.398 -1.856 0.345 1.00 0.00 C ATOM 176 C ALA A 12 83.873 -0.404 0.431 1.00 0.00 C ATOM 177 O ALA A 12 84.922 -0.129 0.983 1.00 0.00 O ATOM 178 CB ALA A 12 83.327 -2.473 1.743 1.00 0.00 C ATOM 0 H ALA A 12 85.137 -3.089 0.194 1.00 0.00 H new ATOM 0 HA ALA A 12 82.429 -1.844 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.611 -1.919 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.010 -3.513 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.310 -2.428 2.211 1.00 0.00 H new ATOM 184 N VAL A 13 83.110 0.521 -0.104 1.00 0.00 N ATOM 185 CA VAL A 13 83.530 1.958 -0.068 1.00 0.00 C ATOM 186 C VAL A 13 82.352 2.854 0.335 1.00 0.00 C ATOM 187 O VAL A 13 81.201 2.487 0.179 1.00 0.00 O ATOM 188 CB VAL A 13 84.001 2.280 -1.493 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.181 1.379 -1.857 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.860 2.044 -2.491 1.00 0.00 C ATOM 0 H VAL A 13 82.217 0.343 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 13 84.318 2.134 0.665 1.00 0.00 H new ATOM 0 HB VAL A 13 84.307 3.325 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.515 1.608 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.999 1.550 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.871 0.335 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.205 2.275 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.546 1.001 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.017 2.688 -2.239 1.00 0.00 H new ATOM 200 N SER A 14 82.641 4.026 0.850 1.00 0.00 N ATOM 201 CA SER A 14 81.559 5.004 1.165 1.00 0.00 C ATOM 202 C SER A 14 81.779 6.285 0.366 1.00 0.00 C ATOM 203 O SER A 14 82.900 6.726 0.192 1.00 0.00 O ATOM 204 CB SER A 14 81.683 5.273 2.664 1.00 0.00 C ATOM 205 OG SER A 14 80.847 6.367 3.015 1.00 0.00 O ATOM 0 H SER A 14 83.585 4.346 1.065 1.00 0.00 H new ATOM 0 HA SER A 14 80.568 4.629 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.397 4.386 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.719 5.495 2.921 1.00 0.00 H new ATOM 0 HG SER A 14 80.923 6.541 3.976 1.00 0.00 H new ATOM 211 N ILE A 15 80.719 6.881 -0.120 1.00 0.00 N ATOM 212 CA ILE A 15 80.870 8.056 -1.032 1.00 0.00 C ATOM 213 C ILE A 15 80.106 9.252 -0.471 1.00 0.00 C ATOM 214 O ILE A 15 78.913 9.175 -0.230 1.00 0.00 O ATOM 215 CB ILE A 15 80.262 7.634 -2.387 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.784 6.252 -2.848 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.630 8.680 -3.444 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.316 6.216 -2.851 1.00 0.00 C ATOM 0 H ILE A 15 79.757 6.605 0.075 1.00 0.00 H new ATOM 0 HA ILE A 15 81.916 8.345 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 15 79.181 7.564 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.400 5.475 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.410 6.033 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.205 8.391 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.233 9.651 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.715 8.743 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.656 5.234 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.697 6.978 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.686 6.411 -1.845 1.00 0.00 H new ATOM 230 N ALA A 16 80.784 10.353 -0.264 1.00 0.00 N ATOM 231 CA ALA A 16 80.090 11.599 0.168 1.00 0.00 C ATOM 232 C ALA A 16 79.863 12.498 -1.046 1.00 0.00 C ATOM 233 O ALA A 16 80.796 13.051 -1.599 1.00 0.00 O ATOM 234 CB ALA A 16 81.043 12.262 1.162 1.00 0.00 C ATOM 0 H ALA A 16 81.794 10.440 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 16 79.116 11.406 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.601 13.189 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.219 11.589 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.990 12.481 0.668 1.00 0.00 H new ATOM 240 N CYS A 17 78.632 12.640 -1.461 1.00 0.00 N ATOM 241 CA CYS A 17 78.314 13.506 -2.636 1.00 0.00 C ATOM 242 C CYS A 17 77.861 14.884 -2.152 1.00 0.00 C ATOM 243 O CYS A 17 77.571 15.070 -0.984 1.00 0.00 O ATOM 244 CB CYS A 17 77.175 12.802 -3.383 1.00 0.00 C ATOM 245 SG CYS A 17 77.676 11.128 -3.872 1.00 0.00 S ATOM 0 H CYS A 17 77.824 12.188 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 17 79.180 13.650 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.291 12.752 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.900 13.379 -4.266 1.00 0.00 H new ATOM 0 HG CYS A 17 76.697 10.548 -4.501 1.00 0.00 H new ATOM 251 N ASP A 18 77.797 15.848 -3.037 1.00 0.00 N ATOM 252 CA ASP A 18 77.420 17.237 -2.617 1.00 0.00 C ATOM 253 C ASP A 18 76.019 17.237 -1.986 1.00 0.00 C ATOM 254 O ASP A 18 75.339 16.229 -1.962 1.00 0.00 O ATOM 255 CB ASP A 18 77.455 18.086 -3.897 1.00 0.00 C ATOM 256 CG ASP A 18 76.517 17.503 -4.969 1.00 0.00 C ATOM 257 OD1 ASP A 18 75.693 16.664 -4.638 1.00 0.00 O ATOM 258 OD2 ASP A 18 76.642 17.914 -6.111 1.00 0.00 O ATOM 0 H ASP A 18 77.989 15.735 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 18 78.101 17.637 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 18 77.159 19.110 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 18 78.474 18.127 -4.283 1.00 0.00 H new ATOM 263 N GLU A 19 75.591 18.365 -1.479 1.00 0.00 N ATOM 264 CA GLU A 19 74.391 18.388 -0.575 1.00 0.00 C ATOM 265 C GLU A 19 73.166 17.748 -1.242 1.00 0.00 C ATOM 266 O GLU A 19 72.378 17.089 -0.588 1.00 0.00 O ATOM 267 CB GLU A 19 74.124 19.869 -0.297 1.00 0.00 C ATOM 268 CG GLU A 19 75.298 20.464 0.492 1.00 0.00 C ATOM 269 CD GLU A 19 75.017 21.934 0.844 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.168 22.538 0.204 1.00 0.00 O ATOM 271 OE2 GLU A 19 75.659 22.431 1.754 1.00 0.00 O ATOM 0 H GLU A 19 76.019 19.275 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 19 74.576 17.818 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 19 73.993 20.408 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.199 19.982 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.460 19.890 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.213 20.393 -0.096 1.00 0.00 H new ATOM 278 N VAL A 20 73.000 17.935 -2.529 1.00 0.00 N ATOM 279 CA VAL A 20 71.760 17.436 -3.208 1.00 0.00 C ATOM 280 C VAL A 20 71.822 15.911 -3.384 1.00 0.00 C ATOM 281 O VAL A 20 70.801 15.251 -3.472 1.00 0.00 O ATOM 282 CB VAL A 20 71.732 18.146 -4.569 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.499 17.705 -5.365 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.675 19.662 -4.356 1.00 0.00 C ATOM 0 H VAL A 20 73.666 18.410 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 20 70.861 17.645 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 20 72.633 17.884 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.487 18.214 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.535 16.627 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.597 17.960 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.655 20.165 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.775 19.917 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.554 19.984 -3.797 1.00 0.00 H new ATOM 294 N LEU A 21 73.006 15.353 -3.436 1.00 0.00 N ATOM 295 CA LEU A 21 73.145 13.876 -3.618 1.00 0.00 C ATOM 296 C LEU A 21 73.192 13.142 -2.268 1.00 0.00 C ATOM 297 O LEU A 21 72.978 11.946 -2.204 1.00 0.00 O ATOM 298 CB LEU A 21 74.466 13.717 -4.363 1.00 0.00 C ATOM 299 CG LEU A 21 74.327 14.263 -5.786 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.687 14.215 -6.486 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.326 13.407 -6.569 1.00 0.00 C ATOM 0 H LEU A 21 73.887 15.861 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 21 72.299 13.448 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.258 14.249 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.753 12.666 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 21 73.972 15.293 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.588 14.604 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.403 14.823 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.040 13.184 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.228 13.797 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.681 12.377 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.356 13.437 -6.073 1.00 0.00 H new ATOM 313 N GLY A 22 73.468 13.846 -1.192 1.00 0.00 N ATOM 314 CA GLY A 22 73.559 13.185 0.147 1.00 0.00 C ATOM 315 C GLY A 22 74.720 12.185 0.161 1.00 0.00 C ATOM 316 O GLY A 22 75.720 12.373 -0.508 1.00 0.00 O ATOM 0 H GLY A 22 73.634 14.852 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.706 13.936 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.624 12.672 0.373 1.00 0.00 H new ATOM 320 N VAL A 23 74.593 11.123 0.921 1.00 0.00 N ATOM 321 CA VAL A 23 75.716 10.135 1.039 1.00 0.00 C ATOM 322 C VAL A 23 75.187 8.717 0.841 1.00 0.00 C ATOM 323 O VAL A 23 74.104 8.388 1.294 1.00 0.00 O ATOM 324 CB VAL A 23 76.267 10.283 2.463 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.500 9.384 2.629 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.662 11.740 2.731 1.00 0.00 C ATOM 0 H VAL A 23 73.761 10.897 1.465 1.00 0.00 H new ATOM 0 HA VAL A 23 76.484 10.317 0.287 1.00 0.00 H new ATOM 0 HB VAL A 23 75.495 9.988 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.893 9.488 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.219 8.345 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.265 9.679 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.051 11.831 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.429 12.046 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.787 12.381 2.620 1.00 0.00 H new ATOM 336 N PHE A 24 75.941 7.877 0.175 1.00 0.00 N ATOM 337 CA PHE A 24 75.560 6.435 0.096 1.00 0.00 C ATOM 338 C PHE A 24 76.780 5.546 0.362 1.00 0.00 C ATOM 339 O PHE A 24 77.909 5.969 0.224 1.00 0.00 O ATOM 340 CB PHE A 24 75.014 6.205 -1.322 1.00 0.00 C ATOM 341 CG PHE A 24 76.053 6.294 -2.421 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.778 5.116 -2.802 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.330 7.546 -3.068 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.773 5.186 -3.832 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.328 7.613 -4.097 1.00 0.00 C ATOM 346 CZ PHE A 24 78.048 6.435 -4.479 1.00 0.00 C ATOM 0 H PHE A 24 76.800 8.127 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 24 74.811 6.181 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.546 5.221 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.232 6.938 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.574 4.175 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.788 8.435 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.315 4.298 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.537 8.554 -4.585 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.798 6.488 -5.254 1.00 0.00 H new ATOM 356 N GLN A 25 76.545 4.320 0.742 1.00 0.00 N ATOM 357 CA GLN A 25 77.663 3.348 0.930 1.00 0.00 C ATOM 358 C GLN A 25 77.257 1.995 0.343 1.00 0.00 C ATOM 359 O GLN A 25 76.105 1.611 0.413 1.00 0.00 O ATOM 360 CB GLN A 25 77.857 3.255 2.445 1.00 0.00 C ATOM 361 CG GLN A 25 78.263 4.629 2.987 1.00 0.00 C ATOM 362 CD GLN A 25 78.440 4.566 4.508 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.521 3.498 5.084 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.500 5.679 5.188 1.00 0.00 N ATOM 0 H GLN A 25 75.616 3.945 0.933 1.00 0.00 H new ATOM 0 HA GLN A 25 78.583 3.653 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.935 2.921 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.624 2.517 2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 25 79.192 4.953 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.503 5.368 2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.432 6.575 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.615 5.652 6.201 1.00 0.00 H new ATOM 373 N GLY A 26 78.188 1.275 -0.233 1.00 0.00 N ATOM 374 CA GLY A 26 77.823 0.017 -0.954 1.00 0.00 C ATOM 375 C GLY A 26 79.083 -0.687 -1.454 1.00 0.00 C ATOM 376 O GLY A 26 80.169 -0.137 -1.417 1.00 0.00 O ATOM 0 H GLY A 26 79.182 1.503 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.267 -0.644 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.168 0.247 -1.794 1.00 0.00 H new ATOM 380 N LEU A 27 78.940 -1.904 -1.917 1.00 0.00 N ATOM 381 CA LEU A 27 80.096 -2.616 -2.538 1.00 0.00 C ATOM 382 C LEU A 27 80.138 -2.331 -4.039 1.00 0.00 C ATOM 383 O LEU A 27 79.127 -2.360 -4.717 1.00 0.00 O ATOM 384 CB LEU A 27 79.841 -4.101 -2.277 1.00 0.00 C ATOM 385 CG LEU A 27 79.915 -4.378 -0.774 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.340 -5.766 -0.483 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.379 -4.327 -0.317 1.00 0.00 C ATOM 0 H LEU A 27 78.070 -2.435 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 27 81.052 -2.294 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.862 -4.385 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.579 -4.705 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 27 79.339 -3.625 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.392 -5.964 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.301 -5.805 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.917 -6.519 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.433 -4.524 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.954 -5.081 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.791 -3.340 -0.525 1.00 0.00 H new ATOM 399 N ILE A 28 81.306 -2.058 -4.553 1.00 0.00 N ATOM 400 CA ILE A 28 81.440 -1.709 -6.002 1.00 0.00 C ATOM 401 C ILE A 28 81.106 -2.922 -6.878 1.00 0.00 C ATOM 402 O ILE A 28 81.508 -4.033 -6.595 1.00 0.00 O ATOM 403 CB ILE A 28 82.912 -1.294 -6.176 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.197 -0.065 -5.299 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.208 -0.961 -7.648 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.686 0.286 -5.368 1.00 0.00 C ATOM 0 H ILE A 28 82.182 -2.061 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 28 80.757 -0.914 -6.301 1.00 0.00 H new ATOM 0 HB ILE A 28 83.553 -2.122 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.598 0.781 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.909 -0.268 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.253 -0.670 -7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.012 -1.837 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.569 -0.139 -7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.884 1.158 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.276 -0.558 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 28 84.960 0.508 -6.399 1.00 0.00 H new ATOM 418 N LYS A 29 80.367 -2.706 -7.936 1.00 0.00 N ATOM 419 CA LYS A 29 80.145 -3.788 -8.941 1.00 0.00 C ATOM 420 C LYS A 29 80.902 -3.464 -10.233 1.00 0.00 C ATOM 421 O LYS A 29 81.323 -4.350 -10.952 1.00 0.00 O ATOM 422 CB LYS A 29 78.637 -3.805 -9.186 1.00 0.00 C ATOM 423 CG LYS A 29 78.286 -4.948 -10.139 1.00 0.00 C ATOM 424 CD LYS A 29 78.381 -6.281 -9.395 1.00 0.00 C ATOM 425 CE LYS A 29 77.957 -7.418 -10.327 1.00 0.00 C ATOM 426 NZ LYS A 29 78.794 -8.581 -9.919 1.00 0.00 N ATOM 0 H LYS A 29 79.905 -1.821 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 29 80.506 -4.757 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.106 -3.929 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.316 -2.853 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.279 -4.811 -10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.965 -4.946 -10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.401 -6.443 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.742 -6.263 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.895 -7.640 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 29 78.126 -7.157 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 78.561 -9.402 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.800 -8.343 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 78.606 -8.811 -8.922 1.00 0.00 H new ATOM 440 N GLN A 30 81.074 -2.196 -10.528 1.00 0.00 N ATOM 441 CA GLN A 30 81.802 -1.796 -11.773 1.00 0.00 C ATOM 442 C GLN A 30 82.466 -0.434 -11.560 1.00 0.00 C ATOM 443 O GLN A 30 81.989 0.379 -10.791 1.00 0.00 O ATOM 444 CB GLN A 30 80.740 -1.704 -12.879 1.00 0.00 C ATOM 445 CG GLN A 30 80.278 -3.104 -13.311 1.00 0.00 C ATOM 446 CD GLN A 30 81.467 -3.906 -13.852 1.00 0.00 C ATOM 447 OE1 GLN A 30 82.210 -3.427 -14.685 1.00 0.00 O ATOM 448 NE2 GLN A 30 81.678 -5.116 -13.409 1.00 0.00 N ATOM 0 H GLN A 30 80.740 -1.420 -9.957 1.00 0.00 H new ATOM 0 HA GLN A 30 82.581 -2.511 -12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 30 79.886 -1.129 -12.522 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.148 -1.170 -13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.832 -3.626 -12.464 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.507 -3.021 -14.077 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.055 -5.519 -12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 30 82.466 -5.658 -13.762 1.00 0.00 H new ATOM 457 N ILE A 31 83.561 -0.179 -12.237 1.00 0.00 N ATOM 458 CA ILE A 31 84.272 1.126 -12.062 1.00 0.00 C ATOM 459 C ILE A 31 84.781 1.630 -13.414 1.00 0.00 C ATOM 460 O ILE A 31 85.277 0.871 -14.227 1.00 0.00 O ATOM 461 CB ILE A 31 85.440 0.852 -11.102 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.898 0.301 -9.772 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.205 2.160 -10.839 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.053 -0.016 -8.814 1.00 0.00 C ATOM 0 H ILE A 31 83.992 -0.819 -12.903 1.00 0.00 H new ATOM 0 HA ILE A 31 83.613 1.896 -11.661 1.00 0.00 H new ATOM 0 HB ILE A 31 86.112 0.120 -11.551 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.228 1.029 -9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.312 -0.600 -9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.034 1.966 -10.158 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.592 2.550 -11.780 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.532 2.892 -10.392 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.653 -0.405 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.707 -0.761 -9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.621 0.893 -8.616 1.00 0.00 H new ATOM 476 N SER A 32 84.658 2.911 -13.650 1.00 0.00 N ATOM 477 CA SER A 32 85.245 3.521 -14.878 1.00 0.00 C ATOM 478 C SER A 32 85.705 4.945 -14.568 1.00 0.00 C ATOM 479 O SER A 32 85.235 5.564 -13.633 1.00 0.00 O ATOM 480 CB SER A 32 84.116 3.531 -15.907 1.00 0.00 C ATOM 481 OG SER A 32 83.086 4.405 -15.466 1.00 0.00 O ATOM 0 H SER A 32 84.171 3.565 -13.038 1.00 0.00 H new ATOM 0 HA SER A 32 86.111 2.970 -15.245 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.495 3.856 -16.876 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.721 2.524 -16.041 1.00 0.00 H new ATOM 0 HG SER A 32 82.251 4.186 -15.929 1.00 0.00 H new ATOM 487 N ALA A 33 86.611 5.472 -15.352 1.00 0.00 N ATOM 488 CA ALA A 33 87.257 6.780 -14.999 1.00 0.00 C ATOM 489 C ALA A 33 86.208 7.882 -14.787 1.00 0.00 C ATOM 490 O ALA A 33 86.460 8.855 -14.100 1.00 0.00 O ATOM 491 CB ALA A 33 88.152 7.124 -16.193 1.00 0.00 C ATOM 0 H ALA A 33 86.934 5.054 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 33 87.819 6.705 -14.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.659 8.071 -16.007 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.893 6.337 -16.331 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.542 7.210 -17.092 1.00 0.00 H new ATOM 497 N GLU A 34 85.041 7.738 -15.370 1.00 0.00 N ATOM 498 CA GLU A 34 84.027 8.838 -15.313 1.00 0.00 C ATOM 499 C GLU A 34 83.079 8.657 -14.119 1.00 0.00 C ATOM 500 O GLU A 34 82.522 9.618 -13.620 1.00 0.00 O ATOM 501 CB GLU A 34 83.259 8.739 -16.631 1.00 0.00 C ATOM 502 CG GLU A 34 84.212 9.008 -17.800 1.00 0.00 C ATOM 503 CD GLU A 34 83.447 8.983 -19.134 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.355 8.434 -19.172 1.00 0.00 O ATOM 505 OE2 GLU A 34 83.969 9.519 -20.097 1.00 0.00 O ATOM 0 H GLU A 34 84.748 6.906 -15.882 1.00 0.00 H new ATOM 0 HA GLU A 34 84.497 9.813 -15.183 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.814 7.749 -16.731 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.441 9.459 -16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.694 9.977 -17.668 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.002 8.258 -17.813 1.00 0.00 H new ATOM 512 N GLU A 35 82.891 7.441 -13.659 1.00 0.00 N ATOM 513 CA GLU A 35 81.844 7.184 -12.620 1.00 0.00 C ATOM 514 C GLU A 35 82.160 5.911 -11.821 1.00 0.00 C ATOM 515 O GLU A 35 82.892 5.050 -12.269 1.00 0.00 O ATOM 516 CB GLU A 35 80.532 7.033 -13.400 1.00 0.00 C ATOM 517 CG GLU A 35 80.639 5.866 -14.389 1.00 0.00 C ATOM 518 CD GLU A 35 79.379 5.812 -15.259 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.834 6.864 -15.545 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.983 4.717 -15.623 1.00 0.00 O ATOM 0 H GLU A 35 83.416 6.619 -13.958 1.00 0.00 H new ATOM 0 HA GLU A 35 81.791 7.992 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.707 6.860 -12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.310 7.956 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.522 5.988 -15.017 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.760 4.928 -13.848 1.00 0.00 H new ATOM 527 N ILE A 36 81.607 5.800 -10.639 1.00 0.00 N ATOM 528 CA ILE A 36 81.724 4.528 -9.857 1.00 0.00 C ATOM 529 C ILE A 36 80.340 3.883 -9.718 1.00 0.00 C ATOM 530 O ILE A 36 79.355 4.570 -9.514 1.00 0.00 O ATOM 531 CB ILE A 36 82.260 4.943 -8.478 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.585 5.719 -8.619 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.490 3.693 -7.624 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.636 4.866 -9.342 1.00 0.00 C ATOM 0 H ILE A 36 81.076 6.539 -10.179 1.00 0.00 H new ATOM 0 HA ILE A 36 82.379 3.803 -10.340 1.00 0.00 H new ATOM 0 HB ILE A 36 81.526 5.591 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.415 6.642 -9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.954 6.002 -7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.870 3.986 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.549 3.157 -7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.215 3.045 -8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.564 5.431 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.820 3.955 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.272 4.606 -10.336 1.00 0.00 H new ATOM 546 N THR A 37 80.257 2.575 -9.824 1.00 0.00 N ATOM 547 CA THR A 37 78.925 1.896 -9.756 1.00 0.00 C ATOM 548 C THR A 37 78.911 0.854 -8.631 1.00 0.00 C ATOM 549 O THR A 37 79.808 0.038 -8.523 1.00 0.00 O ATOM 550 CB THR A 37 78.762 1.214 -11.116 1.00 0.00 C ATOM 551 OG1 THR A 37 78.905 2.179 -12.148 1.00 0.00 O ATOM 552 CG2 THR A 37 77.378 0.570 -11.204 1.00 0.00 C ATOM 0 H THR A 37 81.054 1.952 -9.954 1.00 0.00 H new ATOM 0 HA THR A 37 78.117 2.597 -9.547 1.00 0.00 H new ATOM 0 HB THR A 37 79.525 0.444 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.803 1.743 -13.020 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.263 0.085 -12.173 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.271 -0.171 -10.412 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.612 1.337 -11.089 1.00 0.00 H new ATOM 560 N ILE A 38 77.895 0.877 -7.799 1.00 0.00 N ATOM 561 CA ILE A 38 77.819 -0.091 -6.655 1.00 0.00 C ATOM 562 C ILE A 38 76.433 -0.745 -6.605 1.00 0.00 C ATOM 563 O ILE A 38 75.515 -0.324 -7.284 1.00 0.00 O ATOM 564 CB ILE A 38 78.065 0.730 -5.381 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.047 1.874 -5.291 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.482 1.308 -5.394 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.768 2.198 -3.825 1.00 0.00 C ATOM 0 H ILE A 38 77.112 1.527 -7.863 1.00 0.00 H new ATOM 0 HA ILE A 38 78.554 -0.889 -6.761 1.00 0.00 H new ATOM 0 HB ILE A 38 77.952 0.077 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.431 2.757 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.122 1.592 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.646 1.889 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.206 0.495 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.604 1.953 -6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.045 3.011 -3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.365 1.316 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.695 2.499 -3.336 1.00 0.00 H new ATOM 579 N VAL A 39 76.281 -1.768 -5.798 1.00 0.00 N ATOM 580 CA VAL A 39 74.971 -2.497 -5.732 1.00 0.00 C ATOM 581 C VAL A 39 74.487 -2.609 -4.280 1.00 0.00 C ATOM 582 O VAL A 39 75.244 -2.427 -3.348 1.00 0.00 O ATOM 583 CB VAL A 39 75.240 -3.884 -6.327 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.682 -3.734 -7.783 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.345 -4.592 -5.533 1.00 0.00 C ATOM 0 H VAL A 39 77.007 -2.131 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 39 74.189 -1.972 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 39 74.327 -4.477 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.874 -4.719 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.895 -3.240 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.592 -3.136 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.529 -5.576 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.260 -4.001 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.033 -4.703 -4.495 1.00 0.00 H new ATOM 595 N ARG A 40 73.218 -2.910 -4.086 1.00 0.00 N ATOM 596 CA ARG A 40 72.625 -2.930 -2.701 1.00 0.00 C ATOM 597 C ARG A 40 72.936 -1.627 -1.953 1.00 0.00 C ATOM 598 O ARG A 40 73.405 -1.639 -0.830 1.00 0.00 O ATOM 599 CB ARG A 40 73.275 -4.130 -2.008 1.00 0.00 C ATOM 600 CG ARG A 40 72.786 -5.430 -2.665 1.00 0.00 C ATOM 601 CD ARG A 40 73.961 -6.393 -2.841 1.00 0.00 C ATOM 602 NE ARG A 40 73.347 -7.668 -3.329 1.00 0.00 N ATOM 603 CZ ARG A 40 72.646 -8.455 -2.530 1.00 0.00 C ATOM 604 NH1 ARG A 40 72.448 -8.162 -1.262 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.134 -9.552 -3.012 1.00 0.00 N ATOM 0 H ARG A 40 72.564 -3.144 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 40 71.538 -3.014 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.360 -4.060 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.025 -4.130 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.014 -5.892 -2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 40 72.334 -5.212 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 40 74.686 -6.005 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 40 74.491 -6.545 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 40 73.473 -7.937 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 40 72.840 -7.306 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 40 71.902 -8.791 -0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.276 -9.793 -3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 40 71.591 -10.169 -2.409 1.00 0.00 H new ATOM 619 N ALA A 41 72.672 -0.510 -2.580 1.00 0.00 N ATOM 620 CA ALA A 41 73.112 0.804 -2.013 1.00 0.00 C ATOM 621 C ALA A 41 72.355 1.147 -0.723 1.00 0.00 C ATOM 622 O ALA A 41 71.167 0.904 -0.587 1.00 0.00 O ATOM 623 CB ALA A 41 72.801 1.836 -3.099 1.00 0.00 C ATOM 0 H ALA A 41 72.168 -0.449 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 41 74.169 0.782 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 41 73.097 2.827 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 41 73.352 1.587 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 41 71.732 1.830 -3.311 1.00 0.00 H new ATOM 629 N PHE A 42 73.052 1.718 0.220 1.00 0.00 N ATOM 630 CA PHE A 42 72.388 2.315 1.414 1.00 0.00 C ATOM 631 C PHE A 42 72.593 3.831 1.389 1.00 0.00 C ATOM 632 O PHE A 42 73.671 4.301 1.087 1.00 0.00 O ATOM 633 CB PHE A 42 73.093 1.696 2.626 1.00 0.00 C ATOM 634 CG PHE A 42 72.462 0.413 3.129 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.680 -0.835 2.446 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.644 0.446 4.308 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.079 -2.040 2.943 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.046 -0.759 4.804 1.00 0.00 C ATOM 639 CZ PHE A 42 71.262 -2.002 4.121 1.00 0.00 C ATOM 0 H PHE A 42 74.069 1.798 0.214 1.00 0.00 H new ATOM 0 HA PHE A 42 71.315 2.122 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.132 1.497 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.102 2.424 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.296 -0.865 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.479 1.381 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.242 -2.976 2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.433 -0.731 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.809 -2.909 4.494 1.00 0.00 H new ATOM 649 N ARG A 43 71.575 4.593 1.703 1.00 0.00 N ATOM 650 CA ARG A 43 71.689 6.082 1.613 1.00 0.00 C ATOM 651 C ARG A 43 71.097 6.733 2.864 1.00 0.00 C ATOM 652 O ARG A 43 70.100 6.281 3.391 1.00 0.00 O ATOM 653 CB ARG A 43 70.878 6.466 0.375 1.00 0.00 C ATOM 654 CG ARG A 43 71.029 7.965 0.109 1.00 0.00 C ATOM 655 CD ARG A 43 70.220 8.348 -1.133 1.00 0.00 C ATOM 656 NE ARG A 43 68.786 8.209 -0.726 1.00 0.00 N ATOM 657 CZ ARG A 43 67.820 8.056 -1.616 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.062 8.021 -2.909 1.00 0.00 N ATOM 659 NH2 ARG A 43 66.589 7.939 -1.199 1.00 0.00 N ATOM 0 H ARG A 43 70.668 4.248 2.018 1.00 0.00 H new ATOM 0 HA ARG A 43 72.725 6.414 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.222 5.896 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.827 6.217 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.683 8.535 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.080 8.215 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.443 9.367 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.456 7.695 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 43 68.547 8.233 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.018 8.113 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.293 7.902 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 43 66.384 7.966 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 43 65.832 7.820 -1.872 1.00 0.00 H new ATOM 673 N ASN A 44 71.709 7.790 3.346 1.00 0.00 N ATOM 674 CA ASN A 44 71.179 8.502 4.562 1.00 0.00 C ATOM 675 C ASN A 44 70.962 7.522 5.727 1.00 0.00 C ATOM 676 O ASN A 44 69.978 7.601 6.440 1.00 0.00 O ATOM 677 CB ASN A 44 69.846 9.126 4.129 1.00 0.00 C ATOM 678 CG ASN A 44 70.076 10.082 2.956 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.341 10.062 1.988 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.074 10.925 2.998 1.00 0.00 N ATOM 0 H ASN A 44 72.557 8.195 2.950 1.00 0.00 H new ATOM 0 HA ASN A 44 71.883 9.255 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.145 8.343 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.397 9.663 4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.235 11.564 2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.692 10.944 3.809 1.00 0.00 H new ATOM 687 N GLY A 45 71.876 6.603 5.918 1.00 0.00 N ATOM 688 CA GLY A 45 71.790 5.670 7.085 1.00 0.00 C ATOM 689 C GLY A 45 70.517 4.815 7.014 1.00 0.00 C ATOM 690 O GLY A 45 70.058 4.305 8.020 1.00 0.00 O ATOM 0 H GLY A 45 72.683 6.458 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.667 5.022 7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.797 6.241 8.013 1.00 0.00 H new ATOM 694 N VAL A 46 69.944 4.656 5.843 1.00 0.00 N ATOM 695 CA VAL A 46 68.777 3.733 5.690 1.00 0.00 C ATOM 696 C VAL A 46 68.855 3.018 4.323 1.00 0.00 C ATOM 697 O VAL A 46 69.409 3.560 3.390 1.00 0.00 O ATOM 698 CB VAL A 46 67.544 4.646 5.791 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.261 3.861 5.489 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.460 5.200 7.211 1.00 0.00 C ATOM 0 H VAL A 46 70.236 5.127 4.987 1.00 0.00 H new ATOM 0 HA VAL A 46 68.747 2.946 6.444 1.00 0.00 H new ATOM 0 HB VAL A 46 67.641 5.453 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.401 4.526 5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.314 3.452 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.155 3.047 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.589 5.850 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.369 4.376 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.362 5.770 7.433 1.00 0.00 H new ATOM 710 N PRO A 47 68.302 1.820 4.237 1.00 0.00 N ATOM 711 CA PRO A 47 68.438 1.024 2.992 1.00 0.00 C ATOM 712 C PRO A 47 67.540 1.604 1.894 1.00 0.00 C ATOM 713 O PRO A 47 66.491 2.155 2.175 1.00 0.00 O ATOM 714 CB PRO A 47 67.976 -0.387 3.385 1.00 0.00 C ATOM 715 CG PRO A 47 67.660 -0.341 4.852 1.00 0.00 C ATOM 716 CD PRO A 47 67.512 1.101 5.246 1.00 0.00 C ATOM 0 HA PRO A 47 69.455 1.028 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.099 -0.682 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.755 -1.121 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.742 -0.890 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.454 -0.815 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.468 1.414 5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.888 1.282 6.253 1.00 0.00 H new ATOM 724 N LEU A 48 67.942 1.484 0.648 1.00 0.00 N ATOM 725 CA LEU A 48 67.038 1.892 -0.473 1.00 0.00 C ATOM 726 C LEU A 48 65.965 0.822 -0.692 1.00 0.00 C ATOM 727 O LEU A 48 66.199 -0.353 -0.483 1.00 0.00 O ATOM 728 CB LEU A 48 67.939 2.014 -1.705 1.00 0.00 C ATOM 729 CG LEU A 48 69.030 3.062 -1.456 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.958 3.123 -2.668 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.389 4.438 -1.244 1.00 0.00 C ATOM 0 H LEU A 48 68.852 1.123 0.362 1.00 0.00 H new ATOM 0 HA LEU A 48 66.522 2.829 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.394 1.049 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.344 2.296 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 48 69.598 2.786 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.735 3.867 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.418 2.147 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.384 3.398 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.168 5.179 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.819 4.715 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.723 4.400 -0.382 1.00 0.00 H new ATOM 743 N ARG A 49 64.789 1.226 -1.112 1.00 0.00 N ATOM 744 CA ARG A 49 63.651 0.255 -1.238 1.00 0.00 C ATOM 745 C ARG A 49 64.024 -0.898 -2.177 1.00 0.00 C ATOM 746 O ARG A 49 63.634 -2.032 -1.959 1.00 0.00 O ATOM 747 CB ARG A 49 62.487 1.062 -1.820 1.00 0.00 C ATOM 748 CG ARG A 49 62.059 2.139 -0.820 1.00 0.00 C ATOM 749 CD ARG A 49 61.456 1.473 0.421 1.00 0.00 C ATOM 750 NE ARG A 49 60.950 2.605 1.260 1.00 0.00 N ATOM 751 CZ ARG A 49 59.803 3.209 0.999 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.045 2.854 -0.016 1.00 0.00 N ATOM 753 NH2 ARG A 49 59.412 4.186 1.770 1.00 0.00 N ATOM 0 H ARG A 49 64.567 2.186 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 49 63.396 -0.191 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.786 1.523 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.648 0.402 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 62.917 2.750 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 49 61.329 2.807 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.650 0.791 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 49 62.203 0.887 0.957 1.00 0.00 H new ATOM 0 HE ARG A 49 61.506 2.919 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 49 59.337 2.092 -0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.165 3.340 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 49 59.989 4.474 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.530 4.662 1.582 1.00 0.00 H new ATOM 767 N LYS A 50 64.773 -0.616 -3.216 1.00 0.00 N ATOM 768 CA LYS A 50 65.197 -1.697 -4.157 1.00 0.00 C ATOM 769 C LYS A 50 66.615 -2.167 -3.819 1.00 0.00 C ATOM 770 O LYS A 50 67.585 -1.485 -4.096 1.00 0.00 O ATOM 771 CB LYS A 50 65.160 -1.054 -5.543 1.00 0.00 C ATOM 772 CG LYS A 50 65.399 -2.125 -6.610 1.00 0.00 C ATOM 773 CD LYS A 50 64.145 -2.990 -6.754 1.00 0.00 C ATOM 774 CE LYS A 50 64.360 -4.018 -7.868 1.00 0.00 C ATOM 775 NZ LYS A 50 63.026 -4.649 -8.070 1.00 0.00 N ATOM 0 H LYS A 50 65.109 0.318 -3.452 1.00 0.00 H new ATOM 0 HA LYS A 50 64.551 -2.573 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.196 -0.572 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.921 -0.277 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 50 65.642 -1.656 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 50 66.252 -2.745 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.930 -3.497 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.283 -2.364 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 64.714 -3.542 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 50 65.108 -4.758 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 63.091 -5.367 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.718 -5.100 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.336 -3.921 -8.346 1.00 0.00 H new ATOM 789 N GLN A 51 66.736 -3.328 -3.223 1.00 0.00 N ATOM 790 CA GLN A 51 68.092 -3.875 -2.896 1.00 0.00 C ATOM 791 C GLN A 51 68.877 -4.141 -4.183 1.00 0.00 C ATOM 792 O GLN A 51 70.081 -3.972 -4.231 1.00 0.00 O ATOM 793 CB GLN A 51 67.835 -5.186 -2.146 1.00 0.00 C ATOM 794 CG GLN A 51 67.129 -4.888 -0.822 1.00 0.00 C ATOM 795 CD GLN A 51 66.823 -6.198 -0.091 1.00 0.00 C ATOM 796 OE1 GLN A 51 66.763 -7.250 -0.699 1.00 0.00 O ATOM 797 NE2 GLN A 51 66.627 -6.180 1.199 1.00 0.00 N ATOM 0 H GLN A 51 65.954 -3.922 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 51 68.680 -3.178 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.223 -5.851 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.777 -5.701 -1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.758 -4.252 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.205 -4.340 -1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.677 -5.299 1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.424 -7.047 1.696 1.00 0.00 H new ATOM 806 N ASN A 52 68.196 -4.555 -5.223 1.00 0.00 N ATOM 807 CA ASN A 52 68.892 -4.886 -6.505 1.00 0.00 C ATOM 808 C ASN A 52 69.099 -3.635 -7.377 1.00 0.00 C ATOM 809 O ASN A 52 69.617 -3.732 -8.475 1.00 0.00 O ATOM 810 CB ASN A 52 67.962 -5.876 -7.209 1.00 0.00 C ATOM 811 CG ASN A 52 67.813 -7.140 -6.359 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.650 -7.433 -5.528 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.773 -7.909 -6.533 1.00 0.00 N ATOM 0 H ASN A 52 67.184 -4.678 -5.239 1.00 0.00 H new ATOM 0 HA ASN A 52 69.886 -5.296 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.986 -5.419 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.363 -6.131 -8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 52 66.664 -8.754 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 52 66.069 -7.665 -7.230 1.00 0.00 H new ATOM 820 N ALA A 53 68.706 -2.466 -6.909 1.00 0.00 N ATOM 821 CA ALA A 53 68.860 -1.232 -7.746 1.00 0.00 C ATOM 822 C ALA A 53 70.330 -0.810 -7.792 1.00 0.00 C ATOM 823 O ALA A 53 71.013 -0.805 -6.785 1.00 0.00 O ATOM 824 CB ALA A 53 68.014 -0.161 -7.053 1.00 0.00 C ATOM 0 H ALA A 53 68.289 -2.318 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 53 68.540 -1.392 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.079 0.772 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.975 -0.488 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.384 -0.004 -6.040 1.00 0.00 H new ATOM 830 N GLU A 54 70.815 -0.456 -8.957 1.00 0.00 N ATOM 831 CA GLU A 54 72.248 -0.046 -9.087 1.00 0.00 C ATOM 832 C GLU A 54 72.398 1.473 -8.909 1.00 0.00 C ATOM 833 O GLU A 54 71.605 2.247 -9.414 1.00 0.00 O ATOM 834 CB GLU A 54 72.676 -0.494 -10.501 1.00 0.00 C ATOM 835 CG GLU A 54 71.944 0.311 -11.592 1.00 0.00 C ATOM 836 CD GLU A 54 72.372 -0.182 -12.980 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.478 -0.685 -13.102 1.00 0.00 O ATOM 838 OE2 GLU A 54 71.583 -0.047 -13.901 1.00 0.00 O ATOM 0 H GLU A 54 70.279 -0.433 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 54 72.875 -0.502 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.753 -0.367 -10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.465 -1.556 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 54 70.866 0.203 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.171 1.372 -11.487 1.00 0.00 H new ATOM 845 N VAL A 55 73.411 1.895 -8.192 1.00 0.00 N ATOM 846 CA VAL A 55 73.699 3.358 -8.071 1.00 0.00 C ATOM 847 C VAL A 55 74.940 3.699 -8.897 1.00 0.00 C ATOM 848 O VAL A 55 76.004 3.154 -8.671 1.00 0.00 O ATOM 849 CB VAL A 55 73.970 3.592 -6.577 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.289 5.071 -6.326 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.732 3.201 -5.766 1.00 0.00 C ATOM 0 H VAL A 55 74.053 1.287 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 55 72.880 3.979 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 55 74.821 2.983 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.480 5.227 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.172 5.355 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.443 5.684 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 55 72.924 3.367 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 71.884 3.809 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.505 2.148 -5.933 1.00 0.00 H new ATOM 861 N VAL A 56 74.811 4.591 -9.848 1.00 0.00 N ATOM 862 CA VAL A 56 76.003 5.018 -10.642 1.00 0.00 C ATOM 863 C VAL A 56 76.166 6.533 -10.540 1.00 0.00 C ATOM 864 O VAL A 56 75.343 7.291 -11.023 1.00 0.00 O ATOM 865 CB VAL A 56 75.732 4.597 -12.090 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.962 4.926 -12.936 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.467 3.086 -12.166 1.00 0.00 C ATOM 0 H VAL A 56 73.933 5.041 -10.108 1.00 0.00 H new ATOM 0 HA VAL A 56 76.922 4.561 -10.275 1.00 0.00 H new ATOM 0 HB VAL A 56 74.857 5.131 -12.460 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.782 4.631 -13.970 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.157 5.998 -12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.825 4.384 -12.549 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.276 2.802 -13.201 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.338 2.545 -11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.599 2.838 -11.555 1.00 0.00 H new ATOM 877 N LEU A 57 77.222 6.972 -9.916 1.00 0.00 N ATOM 878 CA LEU A 57 77.397 8.429 -9.648 1.00 0.00 C ATOM 879 C LEU A 57 78.773 8.900 -10.129 1.00 0.00 C ATOM 880 O LEU A 57 79.776 8.254 -9.888 1.00 0.00 O ATOM 881 CB LEU A 57 77.233 8.540 -8.134 1.00 0.00 C ATOM 882 CG LEU A 57 75.735 8.530 -7.808 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.500 7.903 -6.438 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.213 9.968 -7.787 1.00 0.00 C ATOM 0 H LEU A 57 77.979 6.379 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 57 76.683 9.061 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.735 7.710 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.695 9.457 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 57 75.212 7.949 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.433 7.901 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.872 6.879 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.027 8.480 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.148 9.965 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.748 10.538 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.371 10.427 -8.763 1.00 0.00 H new ATOM 896 N LYS A 58 78.820 10.019 -10.809 1.00 0.00 N ATOM 897 CA LYS A 58 80.113 10.494 -11.401 1.00 0.00 C ATOM 898 C LYS A 58 81.030 11.059 -10.314 1.00 0.00 C ATOM 899 O LYS A 58 80.590 11.750 -9.414 1.00 0.00 O ATOM 900 CB LYS A 58 79.720 11.597 -12.387 1.00 0.00 C ATOM 901 CG LYS A 58 78.880 10.998 -13.516 1.00 0.00 C ATOM 902 CD LYS A 58 78.591 12.073 -14.565 1.00 0.00 C ATOM 903 CE LYS A 58 77.651 11.507 -15.631 1.00 0.00 C ATOM 904 NZ LYS A 58 77.940 12.301 -16.858 1.00 0.00 N ATOM 0 H LYS A 58 78.019 10.626 -10.981 1.00 0.00 H new ATOM 0 HA LYS A 58 80.658 9.683 -11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.155 12.375 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.613 12.069 -12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.410 10.162 -13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.945 10.603 -13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 58 78.139 12.945 -14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.521 12.406 -15.025 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.834 10.445 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.608 11.608 -15.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 77.333 11.971 -17.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 77.750 13.307 -16.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 78.938 12.180 -17.123 1.00 0.00 H new ATOM 918 N CYS A 59 82.307 10.765 -10.395 1.00 0.00 N ATOM 919 CA CYS A 59 83.290 11.342 -9.418 1.00 0.00 C ATOM 920 C CYS A 59 83.212 12.876 -9.404 1.00 0.00 C ATOM 921 O CYS A 59 83.436 13.507 -8.387 1.00 0.00 O ATOM 922 CB CYS A 59 84.674 10.873 -9.900 1.00 0.00 C ATOM 923 SG CYS A 59 84.988 11.441 -11.597 1.00 0.00 S ATOM 0 H CYS A 59 82.713 10.148 -11.098 1.00 0.00 H new ATOM 0 HA CYS A 59 83.083 11.012 -8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.446 11.257 -9.234 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.730 9.785 -9.859 1.00 0.00 H new ATOM 0 HG CYS A 59 84.136 10.884 -12.406 1.00 0.00 H new ATOM 929 N THR A 60 82.898 13.472 -10.529 1.00 0.00 N ATOM 930 CA THR A 60 82.820 14.967 -10.601 1.00 0.00 C ATOM 931 C THR A 60 81.691 15.479 -9.701 1.00 0.00 C ATOM 932 O THR A 60 81.735 16.594 -9.214 1.00 0.00 O ATOM 933 CB THR A 60 82.524 15.295 -12.069 1.00 0.00 C ATOM 934 OG1 THR A 60 81.286 14.708 -12.444 1.00 0.00 O ATOM 935 CG2 THR A 60 83.643 14.746 -12.958 1.00 0.00 C ATOM 0 H THR A 60 82.692 12.987 -11.403 1.00 0.00 H new ATOM 0 HA THR A 60 83.742 15.439 -10.263 1.00 0.00 H new ATOM 0 HB THR A 60 82.466 16.376 -12.193 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.095 14.919 -13.382 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.428 14.982 -14.000 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.591 15.200 -12.671 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.707 13.665 -12.836 1.00 0.00 H new ATOM 943 N ASP A 61 80.684 14.670 -9.481 1.00 0.00 N ATOM 944 CA ASP A 61 79.578 15.068 -8.556 1.00 0.00 C ATOM 945 C ASP A 61 79.908 14.640 -7.120 1.00 0.00 C ATOM 946 O ASP A 61 79.386 15.193 -6.170 1.00 0.00 O ATOM 947 CB ASP A 61 78.340 14.331 -9.071 1.00 0.00 C ATOM 948 CG ASP A 61 77.996 14.812 -10.486 1.00 0.00 C ATOM 949 OD1 ASP A 61 78.284 15.958 -10.793 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.451 14.022 -11.239 1.00 0.00 O ATOM 0 H ASP A 61 80.580 13.748 -9.904 1.00 0.00 H new ATOM 0 HA ASP A 61 79.425 16.147 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.522 13.256 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.497 14.507 -8.403 1.00 0.00 H new ATOM 955 N ILE A 62 80.768 13.661 -6.959 1.00 0.00 N ATOM 956 CA ILE A 62 81.187 13.237 -5.585 1.00 0.00 C ATOM 957 C ILE A 62 82.265 14.189 -5.056 1.00 0.00 C ATOM 958 O ILE A 62 83.095 14.673 -5.804 1.00 0.00 O ATOM 959 CB ILE A 62 81.755 11.820 -5.755 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.678 10.898 -6.339 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.195 11.275 -4.394 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.301 9.547 -6.698 1.00 0.00 C ATOM 0 H ILE A 62 81.198 13.137 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 62 80.361 13.256 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 62 82.610 11.858 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.873 10.759 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.236 11.353 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.598 10.270 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.963 11.924 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.338 11.243 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.535 8.892 -7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.090 9.695 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.722 9.091 -5.802 1.00 0.00 H new ATOM 974 N ARG A 63 82.254 14.457 -3.773 1.00 0.00 N ATOM 975 CA ARG A 63 83.255 15.399 -3.186 1.00 0.00 C ATOM 976 C ARG A 63 84.388 14.622 -2.509 1.00 0.00 C ATOM 977 O ARG A 63 85.509 15.095 -2.439 1.00 0.00 O ATOM 978 CB ARG A 63 82.479 16.224 -2.159 1.00 0.00 C ATOM 979 CG ARG A 63 81.422 17.069 -2.874 1.00 0.00 C ATOM 980 CD ARG A 63 82.114 18.115 -3.751 1.00 0.00 C ATOM 981 NE ARG A 63 81.011 18.994 -4.255 1.00 0.00 N ATOM 982 CZ ARG A 63 81.152 19.736 -5.341 1.00 0.00 C ATOM 983 NH1 ARG A 63 82.270 19.748 -6.036 1.00 0.00 N ATOM 984 NH2 ARG A 63 80.156 20.480 -5.733 1.00 0.00 N ATOM 0 H ARG A 63 81.592 14.062 -3.105 1.00 0.00 H new ATOM 0 HA ARG A 63 83.716 16.029 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 63 82.003 15.565 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 63 83.161 16.869 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 63 80.783 16.431 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 63 80.778 17.559 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 63 82.844 18.688 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.651 17.645 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 63 80.127 19.021 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.060 19.174 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 63 82.346 20.332 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 63 79.284 20.484 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 63 80.249 21.058 -6.568 1.00 0.00 H new ATOM 998 N SER A 64 84.109 13.437 -2.013 1.00 0.00 N ATOM 999 CA SER A 64 85.184 12.631 -1.347 1.00 0.00 C ATOM 1000 C SER A 64 84.787 11.156 -1.270 1.00 0.00 C ATOM 1001 O SER A 64 83.621 10.821 -1.203 1.00 0.00 O ATOM 1002 CB SER A 64 85.320 13.227 0.052 1.00 0.00 C ATOM 1003 OG SER A 64 86.403 12.599 0.727 1.00 0.00 O ATOM 0 H SER A 64 83.190 12.996 -2.040 1.00 0.00 H new ATOM 0 HA SER A 64 86.123 12.670 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.491 14.302 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.396 13.085 0.612 1.00 0.00 H new ATOM 0 HG SER A 64 86.494 12.981 1.625 1.00 0.00 H new ATOM 1009 N ILE A 65 85.758 10.271 -1.275 1.00 0.00 N ATOM 1010 CA ILE A 65 85.455 8.807 -1.214 1.00 0.00 C ATOM 1011 C ILE A 65 86.449 8.108 -0.281 1.00 0.00 C ATOM 1012 O ILE A 65 87.596 8.503 -0.170 1.00 0.00 O ATOM 1013 CB ILE A 65 85.597 8.276 -2.646 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.656 9.043 -3.587 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.242 6.783 -2.668 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.879 8.582 -5.030 1.00 0.00 C ATOM 0 H ILE A 65 86.750 10.503 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 65 84.454 8.620 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 65 86.624 8.416 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.619 8.873 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.839 10.114 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.341 6.400 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.917 6.239 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.215 6.648 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.209 9.129 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.913 8.775 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.674 7.514 -5.107 1.00 0.00 H new ATOM 1028 N ASP A 66 86.009 7.071 0.387 1.00 0.00 N ATOM 1029 CA ASP A 66 86.918 6.309 1.297 1.00 0.00 C ATOM 1030 C ASP A 66 86.669 4.802 1.164 1.00 0.00 C ATOM 1031 O ASP A 66 85.544 4.350 1.251 1.00 0.00 O ATOM 1032 CB ASP A 66 86.558 6.794 2.709 1.00 0.00 C ATOM 1033 CG ASP A 66 85.080 6.514 3.012 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.242 7.020 2.284 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.816 5.800 3.965 1.00 0.00 O ATOM 0 H ASP A 66 85.053 6.718 0.341 1.00 0.00 H new ATOM 0 HA ASP A 66 87.970 6.474 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 87.188 6.292 3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.757 7.862 2.795 1.00 0.00 H new ATOM 1040 N LEU A 67 87.707 4.026 0.954 1.00 0.00 N ATOM 1041 CA LEU A 67 87.544 2.538 0.953 1.00 0.00 C ATOM 1042 C LEU A 67 87.415 2.031 2.393 1.00 0.00 C ATOM 1043 O LEU A 67 88.349 2.116 3.171 1.00 0.00 O ATOM 1044 CB LEU A 67 88.825 1.995 0.309 1.00 0.00 C ATOM 1045 CG LEU A 67 88.680 1.984 -1.225 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.953 2.539 -1.870 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.460 0.546 -1.716 1.00 0.00 C ATOM 0 H LEU A 67 88.656 4.358 0.784 1.00 0.00 H new ATOM 0 HA LEU A 67 86.653 2.218 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.676 2.611 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.024 0.986 0.671 1.00 0.00 H new ATOM 0 HG LEU A 67 87.827 2.603 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.845 2.529 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.116 3.562 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.805 1.922 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.358 0.544 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.312 -0.070 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.553 0.142 -1.266 1.00 0.00 H new ATOM 1059 N ILE A 68 86.267 1.508 2.750 1.00 0.00 N ATOM 1060 CA ILE A 68 86.067 0.995 4.144 1.00 0.00 C ATOM 1061 C ILE A 68 86.801 -0.337 4.319 1.00 0.00 C ATOM 1062 O ILE A 68 87.549 -0.527 5.262 1.00 0.00 O ATOM 1063 CB ILE A 68 84.553 0.798 4.296 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.827 2.127 4.054 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.236 0.304 5.710 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.310 1.898 4.054 1.00 0.00 C ATOM 0 H ILE A 68 85.458 1.414 2.136 1.00 0.00 H new ATOM 0 HA ILE A 68 86.458 1.682 4.894 1.00 0.00 H new ATOM 0 HB ILE A 68 84.218 0.062 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.096 2.845 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.140 2.554 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.160 0.165 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.743 -0.645 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.579 1.039 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.799 2.845 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 68 82.048 1.195 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 68 82.004 1.490 5.017 1.00 0.00 H new ATOM 1078 N GLU A 69 86.587 -1.253 3.412 1.00 0.00 N ATOM 1079 CA GLU A 69 87.202 -2.608 3.534 1.00 0.00 C ATOM 1080 C GLU A 69 87.742 -3.065 2.169 1.00 0.00 C ATOM 1081 O GLU A 69 86.980 -3.528 1.344 1.00 0.00 O ATOM 1082 CB GLU A 69 86.064 -3.520 3.994 1.00 0.00 C ATOM 1083 CG GLU A 69 85.848 -3.351 5.499 1.00 0.00 C ATOM 1084 CD GLU A 69 84.419 -3.757 5.860 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.981 -4.794 5.390 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.784 -3.024 6.600 1.00 0.00 O ATOM 0 H GLU A 69 86.007 -1.119 2.584 1.00 0.00 H new ATOM 0 HA GLU A 69 88.040 -2.622 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.148 -3.276 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.302 -4.559 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.561 -3.964 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 69 86.027 -2.315 5.788 1.00 0.00 H new ATOM 1093 N PRO A 70 89.039 -2.921 1.959 1.00 0.00 N ATOM 1094 CA PRO A 70 89.631 -3.345 0.666 1.00 0.00 C ATOM 1095 C PRO A 70 89.519 -4.863 0.504 1.00 0.00 C ATOM 1096 O PRO A 70 89.843 -5.614 1.406 1.00 0.00 O ATOM 1097 CB PRO A 70 91.096 -2.916 0.764 1.00 0.00 C ATOM 1098 CG PRO A 70 91.363 -2.734 2.225 1.00 0.00 C ATOM 1099 CD PRO A 70 90.056 -2.368 2.872 1.00 0.00 C ATOM 0 HA PRO A 70 89.127 -2.904 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 70 91.755 -3.671 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 70 91.272 -1.991 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 70 91.765 -3.649 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 70 92.105 -1.952 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 70 89.971 -2.797 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 70 89.952 -1.288 2.979 1.00 0.00 H new ATOM 1107 N ALA A 71 89.061 -5.315 -0.639 1.00 0.00 N ATOM 1108 CA ALA A 71 88.945 -6.789 -0.877 1.00 0.00 C ATOM 1109 C ALA A 71 90.337 -7.421 -0.959 1.00 0.00 C ATOM 1110 O ALA A 71 90.595 -8.451 -0.362 1.00 0.00 O ATOM 1111 CB ALA A 71 88.214 -6.929 -2.214 1.00 0.00 C ATOM 0 H ALA A 71 88.763 -4.727 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 71 88.411 -7.292 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 71 88.093 -7.985 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 71 87.233 -6.458 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 71 88.794 -6.443 -2.998 1.00 0.00 H new ATOM 1117 N LYS A 72 91.231 -6.807 -1.694 1.00 0.00 N ATOM 1118 CA LYS A 72 92.621 -7.345 -1.806 1.00 0.00 C ATOM 1119 C LYS A 72 93.631 -6.195 -1.846 1.00 0.00 C ATOM 1120 O LYS A 72 93.537 -5.307 -2.673 1.00 0.00 O ATOM 1121 CB LYS A 72 92.640 -8.120 -3.124 1.00 0.00 C ATOM 1122 CG LYS A 72 94.003 -8.791 -3.306 1.00 0.00 C ATOM 1123 CD LYS A 72 94.043 -9.508 -4.658 1.00 0.00 C ATOM 1124 CE LYS A 72 95.342 -10.309 -4.774 1.00 0.00 C ATOM 1125 NZ LYS A 72 94.974 -11.697 -4.380 1.00 0.00 N ATOM 0 H LYS A 72 91.056 -5.953 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 72 92.890 -7.975 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 72 91.850 -8.871 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 72 92.441 -7.446 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 72 94.797 -8.046 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 72 94.180 -9.503 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 72 93.184 -10.172 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 72 93.978 -8.782 -5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 72 95.736 -10.278 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 72 96.115 -9.905 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 95.638 -12.369 -4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 95.019 -11.787 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 94.008 -11.905 -4.704 1.00 0.00 H new ATOM 1139 N GLN A 73 94.594 -6.207 -0.956 1.00 0.00 N ATOM 1140 CA GLN A 73 95.641 -5.139 -0.957 1.00 0.00 C ATOM 1141 C GLN A 73 97.037 -5.766 -0.901 1.00 0.00 C ATOM 1142 O GLN A 73 97.554 -6.050 0.165 1.00 0.00 O ATOM 1143 CB GLN A 73 95.369 -4.317 0.302 1.00 0.00 C ATOM 1144 CG GLN A 73 96.300 -3.103 0.330 1.00 0.00 C ATOM 1145 CD GLN A 73 96.108 -2.340 1.643 1.00 0.00 C ATOM 1146 OE1 GLN A 73 96.351 -2.872 2.707 1.00 0.00 O ATOM 1147 NE2 GLN A 73 95.677 -1.109 1.611 1.00 0.00 N ATOM 0 H GLN A 73 94.700 -6.913 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 73 95.606 -4.526 -1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 73 94.329 -3.991 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 73 95.526 -4.929 1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 73 97.337 -3.425 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 73 96.088 -2.450 -0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 73 95.473 -0.663 0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 73 95.544 -0.592 2.480 1.00 0.00 H new ATOM 1156 N ASP A 74 97.645 -5.984 -2.041 1.00 0.00 N ATOM 1157 CA ASP A 74 99.010 -6.602 -2.068 1.00 0.00 C ATOM 1158 C ASP A 74 100.017 -5.697 -1.352 1.00 0.00 C ATOM 1159 O ASP A 74 100.886 -6.167 -0.640 1.00 0.00 O ATOM 1160 CB ASP A 74 99.371 -6.733 -3.552 1.00 0.00 C ATOM 1161 CG ASP A 74 98.406 -7.706 -4.239 1.00 0.00 C ATOM 1162 OD1 ASP A 74 97.913 -8.602 -3.571 1.00 0.00 O ATOM 1163 OD2 ASP A 74 98.177 -7.538 -5.427 1.00 0.00 O ATOM 0 H ASP A 74 97.255 -5.761 -2.957 1.00 0.00 H new ATOM 0 HA ASP A 74 99.029 -7.567 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 74 99.322 -5.757 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 74 100.396 -7.089 -3.656 1.00 0.00 H new ATOM 1168 N LEU A 75 99.905 -4.405 -1.541 1.00 0.00 N ATOM 1169 CA LEU A 75 100.873 -3.458 -0.906 1.00 0.00 C ATOM 1170 C LEU A 75 100.193 -2.685 0.228 1.00 0.00 C ATOM 1171 O LEU A 75 99.131 -2.118 0.051 1.00 0.00 O ATOM 1172 CB LEU A 75 101.289 -2.508 -2.030 1.00 0.00 C ATOM 1173 CG LEU A 75 102.408 -1.590 -1.537 1.00 0.00 C ATOM 1174 CD1 LEU A 75 103.702 -2.392 -1.393 1.00 0.00 C ATOM 1175 CD2 LEU A 75 102.621 -0.460 -2.548 1.00 0.00 C ATOM 0 H LEU A 75 99.182 -3.964 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 75 101.728 -3.973 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 75 101.627 -3.078 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 75 100.434 -1.915 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 75 102.132 -1.169 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 75 104.499 -1.737 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 75 103.552 -3.198 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 75 103.978 -2.813 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 75 103.418 0.196 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 75 102.897 -0.883 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 75 101.700 0.113 -2.653 1.00 0.00 H new ATOM 1187 N ASP A 76 100.803 -2.662 1.390 1.00 0.00 N ATOM 1188 CA ASP A 76 100.190 -1.943 2.553 1.00 0.00 C ATOM 1189 C ASP A 76 100.035 -0.448 2.241 1.00 0.00 C ATOM 1190 O ASP A 76 99.076 0.181 2.652 1.00 0.00 O ATOM 1191 CB ASP A 76 101.151 -2.170 3.734 1.00 0.00 C ATOM 1192 CG ASP A 76 102.527 -1.545 3.450 1.00 0.00 C ATOM 1193 OD1 ASP A 76 102.890 -1.445 2.291 1.00 0.00 O ATOM 1194 OD2 ASP A 76 103.192 -1.177 4.404 1.00 0.00 O ATOM 0 H ASP A 76 101.699 -3.110 1.583 1.00 0.00 H new ATOM 0 HA ASP A 76 99.191 -2.314 2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 76 100.729 -1.735 4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 76 101.263 -3.239 3.916 1.00 0.00 H new ATOM 1199 N GLY A 77 100.972 0.119 1.521 1.00 0.00 N ATOM 1200 CA GLY A 77 100.877 1.563 1.151 1.00 0.00 C ATOM 1201 C GLY A 77 102.148 1.988 0.412 1.00 0.00 C ATOM 1202 O GLY A 77 103.048 1.196 0.206 1.00 0.00 O ATOM 0 H GLY A 77 101.802 -0.360 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 77 100.004 1.731 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 77 100.744 2.170 2.046 1.00 0.00 H new ATOM 1206 N HIS A 78 102.221 3.234 0.012 1.00 0.00 N ATOM 1207 CA HIS A 78 103.436 3.730 -0.710 1.00 0.00 C ATOM 1208 C HIS A 78 104.678 3.576 0.173 1.00 0.00 C ATOM 1209 O HIS A 78 105.734 3.190 -0.293 1.00 0.00 O ATOM 1210 CB HIS A 78 103.167 5.210 -0.997 1.00 0.00 C ATOM 1211 CG HIS A 78 104.247 5.869 -1.812 1.00 0.00 C ATOM 1212 ND1 HIS A 78 104.498 5.517 -3.129 1.00 0.00 N ATOM 1213 CD2 HIS A 78 105.149 6.860 -1.510 1.00 0.00 C ATOM 1214 CE1 HIS A 78 105.515 6.284 -3.566 1.00 0.00 C ATOM 1215 NE2 HIS A 78 105.948 7.119 -2.619 1.00 0.00 N ATOM 0 H HIS A 78 101.490 3.931 0.154 1.00 0.00 H new ATOM 0 HA HIS A 78 103.621 3.168 -1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 78 102.217 5.303 -1.524 1.00 0.00 H new ATOM 0 HB3 HIS A 78 103.061 5.742 -0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 78 105.226 7.362 -0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 78 105.930 6.230 -4.562 1.00 0.00 H new ATOM 0 HE2 HIS A 78 106.703 7.801 -2.693 1.00 0.00 H new ATOM 1223 N THR A 79 104.553 3.878 1.443 1.00 0.00 N ATOM 1224 CA THR A 79 105.728 3.784 2.364 1.00 0.00 C ATOM 1225 C THR A 79 105.416 2.840 3.528 1.00 0.00 C ATOM 1226 O THR A 79 104.269 2.537 3.801 1.00 0.00 O ATOM 1227 CB THR A 79 105.952 5.210 2.875 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.790 5.653 3.561 1.00 0.00 O ATOM 1229 CG2 THR A 79 106.245 6.145 1.699 1.00 0.00 C ATOM 0 H THR A 79 103.685 4.186 1.882 1.00 0.00 H new ATOM 0 HA THR A 79 106.611 3.388 1.863 1.00 0.00 H new ATOM 0 HB THR A 79 106.803 5.219 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 79 104.932 6.565 3.890 1.00 0.00 H new ATOM 0 HG21 THR A 79 106.403 7.158 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 79 107.140 5.805 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 79 105.400 6.139 1.010 1.00 0.00 H new ATOM 1237 N ALA A 80 106.433 2.377 4.213 1.00 0.00 N ATOM 1238 CA ALA A 80 106.212 1.453 5.370 1.00 0.00 C ATOM 1239 C ALA A 80 105.660 2.234 6.577 1.00 0.00 C ATOM 1240 O ALA A 80 105.817 3.437 6.644 1.00 0.00 O ATOM 1241 CB ALA A 80 107.591 0.874 5.694 1.00 0.00 C ATOM 0 H ALA A 80 107.410 2.600 4.020 1.00 0.00 H new ATOM 0 HA ALA A 80 105.489 0.671 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 80 107.508 0.185 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 80 107.975 0.341 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 80 108.273 1.683 5.954 1.00 0.00 H new ATOM 1247 N PRO A 81 105.025 1.534 7.502 1.00 0.00 N ATOM 1248 CA PRO A 81 104.462 2.216 8.695 1.00 0.00 C ATOM 1249 C PRO A 81 105.589 2.831 9.545 1.00 0.00 C ATOM 1250 O PRO A 81 106.717 2.385 9.468 1.00 0.00 O ATOM 1251 CB PRO A 81 103.749 1.104 9.466 1.00 0.00 C ATOM 1252 CG PRO A 81 104.320 -0.177 8.944 1.00 0.00 C ATOM 1253 CD PRO A 81 104.774 0.082 7.535 1.00 0.00 C ATOM 0 HA PRO A 81 103.791 3.034 8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 81 103.918 1.200 10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 81 102.671 1.146 9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 81 105.154 -0.507 9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 81 103.572 -0.970 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 81 105.674 -0.484 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 81 104.013 -0.208 6.811 1.00 0.00 H new ATOM 1261 N PRO A 82 105.262 3.844 10.338 1.00 0.00 N ATOM 1262 CA PRO A 82 106.289 4.503 11.195 1.00 0.00 C ATOM 1263 C PRO A 82 107.107 3.473 12.012 1.00 0.00 C ATOM 1264 O PRO A 82 108.314 3.427 11.879 1.00 0.00 O ATOM 1265 CB PRO A 82 105.489 5.423 12.127 1.00 0.00 C ATOM 1266 CG PRO A 82 104.036 5.206 11.815 1.00 0.00 C ATOM 1267 CD PRO A 82 103.939 4.465 10.509 1.00 0.00 C ATOM 0 HA PRO A 82 107.019 5.047 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 82 105.698 5.191 13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 82 105.766 6.466 11.971 1.00 0.00 H new ATOM 0 HG2 PRO A 82 103.558 4.636 12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 82 103.515 6.161 11.749 1.00 0.00 H new ATOM 0 HD2 PRO A 82 103.149 3.715 10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 82 103.708 5.141 9.685 1.00 0.00 H new ATOM 1275 N PRO A 83 106.442 2.675 12.831 1.00 0.00 N ATOM 1276 CA PRO A 83 107.172 1.661 13.638 1.00 0.00 C ATOM 1277 C PRO A 83 107.911 0.679 12.724 1.00 0.00 C ATOM 1278 O PRO A 83 107.473 0.393 11.625 1.00 0.00 O ATOM 1279 CB PRO A 83 106.080 0.944 14.435 1.00 0.00 C ATOM 1280 CG PRO A 83 104.788 1.310 13.776 1.00 0.00 C ATOM 1281 CD PRO A 83 104.993 2.631 13.089 1.00 0.00 C ATOM 0 HA PRO A 83 107.927 2.108 14.285 1.00 0.00 H new ATOM 0 HB2 PRO A 83 106.233 -0.135 14.424 1.00 0.00 H new ATOM 0 HB3 PRO A 83 106.089 1.257 15.479 1.00 0.00 H new ATOM 0 HG2 PRO A 83 104.493 0.545 13.057 1.00 0.00 H new ATOM 0 HG3 PRO A 83 103.988 1.380 14.513 1.00 0.00 H new ATOM 0 HD2 PRO A 83 104.420 2.693 12.164 1.00 0.00 H new ATOM 0 HD3 PRO A 83 104.674 3.462 13.718 1.00 0.00 H new ATOM 1289 N VAL A 84 109.029 0.165 13.175 1.00 0.00 N ATOM 1290 CA VAL A 84 109.829 -0.774 12.331 1.00 0.00 C ATOM 1291 C VAL A 84 110.165 -2.046 13.121 1.00 0.00 C ATOM 1292 O VAL A 84 110.387 -2.002 14.318 1.00 0.00 O ATOM 1293 CB VAL A 84 111.099 0.007 11.963 1.00 0.00 C ATOM 1294 CG1 VAL A 84 111.867 0.397 13.231 1.00 0.00 C ATOM 1295 CG2 VAL A 84 111.996 -0.859 11.073 1.00 0.00 C ATOM 0 H VAL A 84 109.423 0.357 14.096 1.00 0.00 H new ATOM 0 HA VAL A 84 109.289 -1.100 11.442 1.00 0.00 H new ATOM 0 HB VAL A 84 110.812 0.912 11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 84 112.765 0.950 12.957 1.00 0.00 H new ATOM 0 HG12 VAL A 84 111.235 1.022 13.862 1.00 0.00 H new ATOM 0 HG13 VAL A 84 112.148 -0.503 13.778 1.00 0.00 H new ATOM 0 HG21 VAL A 84 112.897 -0.303 10.813 1.00 0.00 H new ATOM 0 HG22 VAL A 84 112.272 -1.767 11.609 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.458 -1.124 10.163 1.00 0.00 H new ATOM 1305 N VAL A 85 110.203 -3.174 12.455 1.00 0.00 N ATOM 1306 CA VAL A 85 110.508 -4.461 13.155 1.00 0.00 C ATOM 1307 C VAL A 85 111.913 -4.942 12.774 1.00 0.00 C ATOM 1308 O VAL A 85 112.307 -4.880 11.624 1.00 0.00 O ATOM 1309 CB VAL A 85 109.444 -5.452 12.664 1.00 0.00 C ATOM 1310 CG1 VAL A 85 109.648 -6.807 13.347 1.00 0.00 C ATOM 1311 CG2 VAL A 85 108.047 -4.926 13.010 1.00 0.00 C ATOM 0 H VAL A 85 110.035 -3.259 11.453 1.00 0.00 H new ATOM 0 HA VAL A 85 110.488 -4.357 14.240 1.00 0.00 H new ATOM 0 HB VAL A 85 109.537 -5.565 11.584 1.00 0.00 H new ATOM 0 HG11 VAL A 85 108.891 -7.509 12.997 1.00 0.00 H new ATOM 0 HG12 VAL A 85 110.639 -7.191 13.105 1.00 0.00 H new ATOM 0 HG13 VAL A 85 109.559 -6.687 14.427 1.00 0.00 H new ATOM 0 HG21 VAL A 85 107.295 -5.633 12.659 1.00 0.00 H new ATOM 0 HG22 VAL A 85 107.959 -4.809 14.090 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.891 -3.961 12.527 1.00 0.00 H new ATOM 1321 N ASN A 86 112.666 -5.419 13.735 1.00 0.00 N ATOM 1322 CA ASN A 86 114.059 -5.879 13.451 1.00 0.00 C ATOM 1323 C ASN A 86 114.043 -7.295 12.869 1.00 0.00 C ATOM 1324 O ASN A 86 113.394 -8.183 13.388 1.00 0.00 O ATOM 1325 CB ASN A 86 114.768 -5.866 14.807 1.00 0.00 C ATOM 1326 CG ASN A 86 116.280 -5.998 14.598 1.00 0.00 C ATOM 1327 OD1 ASN A 86 116.792 -5.671 13.547 1.00 0.00 O ATOM 1328 ND2 ASN A 86 117.019 -6.469 15.566 1.00 0.00 N ATOM 0 H ASN A 86 112.373 -5.509 14.708 1.00 0.00 H new ATOM 0 HA ASN A 86 114.561 -5.242 12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 86 114.543 -4.940 15.337 1.00 0.00 H new ATOM 0 HB3 ASN A 86 114.404 -6.685 15.427 1.00 0.00 H new ATOM 0 HD21 ASN A 86 118.027 -6.562 15.439 1.00 0.00 H new ATOM 0 HD22 ASN A 86 116.588 -6.744 16.449 1.00 0.00 H new ATOM 1335 N LYS A 87 114.758 -7.511 11.786 1.00 0.00 N ATOM 1336 CA LYS A 87 114.791 -8.865 11.134 1.00 0.00 C ATOM 1337 C LYS A 87 113.360 -9.370 10.843 1.00 0.00 C ATOM 1338 O LYS A 87 112.978 -10.428 11.308 1.00 0.00 O ATOM 1339 CB LYS A 87 115.503 -9.784 12.136 1.00 0.00 C ATOM 1340 CG LYS A 87 116.398 -10.770 11.381 1.00 0.00 C ATOM 1341 CD LYS A 87 117.304 -11.499 12.373 1.00 0.00 C ATOM 1342 CE LYS A 87 118.283 -12.395 11.609 1.00 0.00 C ATOM 1343 NZ LYS A 87 117.621 -13.728 11.554 1.00 0.00 N ATOM 0 H LYS A 87 115.325 -6.801 11.322 1.00 0.00 H new ATOM 0 HA LYS A 87 115.308 -8.838 10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 87 116.101 -9.191 12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 87 114.769 -10.326 12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 87 115.786 -11.488 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 87 117.001 -10.239 10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 87 117.852 -10.778 12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 87 116.704 -12.099 13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 87 118.474 -12.008 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 87 119.245 -12.453 12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 118.232 -14.398 11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 117.458 -14.075 12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 116.711 -13.643 11.058 1.00 0.00 H new ATOM 1357 N PRO A 88 112.601 -8.602 10.080 1.00 0.00 N ATOM 1358 CA PRO A 88 111.221 -9.029 9.732 1.00 0.00 C ATOM 1359 C PRO A 88 111.257 -10.290 8.864 1.00 0.00 C ATOM 1360 O PRO A 88 112.155 -10.475 8.063 1.00 0.00 O ATOM 1361 CB PRO A 88 110.646 -7.849 8.946 1.00 0.00 C ATOM 1362 CG PRO A 88 111.830 -7.055 8.491 1.00 0.00 C ATOM 1363 CD PRO A 88 112.936 -7.297 9.480 1.00 0.00 C ATOM 0 HA PRO A 88 110.623 -9.273 10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 88 110.055 -8.194 8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 88 109.986 -7.246 9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 88 112.136 -7.360 7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 88 111.585 -5.994 8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 88 113.910 -7.321 8.991 1.00 0.00 H new ATOM 0 HD3 PRO A 88 112.977 -6.510 10.233 1.00 0.00 H new ATOM 1371 N THR A 89 110.285 -11.155 9.021 1.00 0.00 N ATOM 1372 CA THR A 89 110.224 -12.389 8.173 1.00 0.00 C ATOM 1373 C THR A 89 109.914 -12.012 6.713 1.00 0.00 C ATOM 1374 O THR A 89 109.254 -11.020 6.471 1.00 0.00 O ATOM 1375 CB THR A 89 109.092 -13.243 8.766 1.00 0.00 C ATOM 1376 OG1 THR A 89 108.940 -14.424 7.991 1.00 0.00 O ATOM 1377 CG2 THR A 89 107.775 -12.458 8.761 1.00 0.00 C ATOM 0 H THR A 89 109.530 -11.061 9.700 1.00 0.00 H new ATOM 0 HA THR A 89 111.170 -12.930 8.170 1.00 0.00 H new ATOM 0 HB THR A 89 109.344 -13.503 9.794 1.00 0.00 H new ATOM 0 HG1 THR A 89 108.076 -14.403 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 89 106.982 -13.075 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 89 107.888 -11.553 9.358 1.00 0.00 H new ATOM 0 HG23 THR A 89 107.517 -12.187 7.737 1.00 0.00 H new ATOM 1385 N PRO A 90 110.394 -12.807 5.771 1.00 0.00 N ATOM 1386 CA PRO A 90 110.150 -12.498 4.337 1.00 0.00 C ATOM 1387 C PRO A 90 108.647 -12.473 4.042 1.00 0.00 C ATOM 1388 O PRO A 90 108.178 -11.693 3.233 1.00 0.00 O ATOM 1389 CB PRO A 90 110.833 -13.639 3.580 1.00 0.00 C ATOM 1390 CG PRO A 90 111.085 -14.710 4.595 1.00 0.00 C ATOM 1391 CD PRO A 90 111.187 -14.036 5.934 1.00 0.00 C ATOM 0 HA PRO A 90 110.537 -11.521 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 90 110.200 -14.007 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 90 111.765 -13.304 3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 90 110.276 -15.441 4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 90 112.003 -15.250 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 90 110.789 -14.666 6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 90 112.222 -13.813 6.191 1.00 0.00 H new ATOM 1399 N VAL A 91 107.893 -13.324 4.695 1.00 0.00 N ATOM 1400 CA VAL A 91 106.408 -13.316 4.516 1.00 0.00 C ATOM 1401 C VAL A 91 105.720 -13.243 5.883 1.00 0.00 C ATOM 1402 O VAL A 91 106.044 -13.991 6.787 1.00 0.00 O ATOM 1403 CB VAL A 91 106.076 -14.637 3.809 1.00 0.00 C ATOM 1404 CG1 VAL A 91 104.568 -14.718 3.550 1.00 0.00 C ATOM 1405 CG2 VAL A 91 106.817 -14.708 2.469 1.00 0.00 C ATOM 0 H VAL A 91 108.244 -14.026 5.346 1.00 0.00 H new ATOM 0 HA VAL A 91 106.065 -12.458 3.938 1.00 0.00 H new ATOM 0 HB VAL A 91 106.386 -15.467 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 91 104.335 -15.657 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 91 104.033 -14.671 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 91 104.262 -13.884 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 91 106.578 -15.648 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 91 106.509 -13.874 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 91 107.891 -14.653 2.644 1.00 0.00 H new ATOM 1415 N LYS A 92 104.775 -12.346 6.035 1.00 0.00 N ATOM 1416 CA LYS A 92 104.047 -12.226 7.335 1.00 0.00 C ATOM 1417 C LYS A 92 102.727 -13.000 7.277 1.00 0.00 C ATOM 1418 O LYS A 92 102.537 -13.970 7.989 1.00 0.00 O ATOM 1419 CB LYS A 92 103.790 -10.729 7.511 1.00 0.00 C ATOM 1420 CG LYS A 92 103.206 -10.473 8.902 1.00 0.00 C ATOM 1421 CD LYS A 92 102.904 -8.983 9.066 1.00 0.00 C ATOM 1422 CE LYS A 92 102.466 -8.703 10.506 1.00 0.00 C ATOM 1423 NZ LYS A 92 103.134 -7.421 10.867 1.00 0.00 N ATOM 0 H LYS A 92 104.477 -11.691 5.312 1.00 0.00 H new ATOM 0 HA LYS A 92 104.617 -12.639 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.719 -10.172 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 92 103.101 -10.375 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 92 102.295 -11.056 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 92 103.910 -10.798 9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.788 -8.394 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 92 102.120 -8.682 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 92 101.382 -8.618 10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 92 102.769 -9.509 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 102.883 -7.161 11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 104.165 -7.534 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 102.821 -6.672 10.217 1.00 0.00 H new ATOM 1437 N LEU A 93 101.817 -12.576 6.434 1.00 0.00 N ATOM 1438 CA LEU A 93 100.493 -13.262 6.335 1.00 0.00 C ATOM 1439 C LEU A 93 100.474 -14.207 5.120 1.00 0.00 C ATOM 1440 O LEU A 93 101.308 -14.088 4.245 1.00 0.00 O ATOM 1441 CB LEU A 93 99.476 -12.134 6.152 1.00 0.00 C ATOM 1442 CG LEU A 93 98.808 -11.817 7.492 1.00 0.00 C ATOM 1443 CD1 LEU A 93 99.623 -10.752 8.231 1.00 0.00 C ATOM 1444 CD2 LEU A 93 97.391 -11.294 7.242 1.00 0.00 C ATOM 0 H LEU A 93 101.936 -11.780 5.808 1.00 0.00 H new ATOM 0 HA LEU A 93 100.275 -13.869 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 93 99.972 -11.245 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 93 98.723 -12.426 5.420 1.00 0.00 H new ATOM 0 HG LEU A 93 98.761 -12.722 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 93 99.147 -10.527 9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 93 100.632 -11.124 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 93 99.671 -9.846 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 93 96.913 -11.068 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 93 97.439 -10.389 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 93 96.811 -12.052 6.716 1.00 0.00 H new ATOM 1456 N PRO A 94 99.521 -15.128 5.092 1.00 0.00 N ATOM 1457 CA PRO A 94 99.429 -16.075 3.947 1.00 0.00 C ATOM 1458 C PRO A 94 99.246 -15.313 2.629 1.00 0.00 C ATOM 1459 O PRO A 94 98.649 -14.253 2.595 1.00 0.00 O ATOM 1460 CB PRO A 94 98.193 -16.923 4.255 1.00 0.00 C ATOM 1461 CG PRO A 94 97.917 -16.724 5.711 1.00 0.00 C ATOM 1462 CD PRO A 94 98.466 -15.376 6.089 1.00 0.00 C ATOM 0 HA PRO A 94 100.330 -16.678 3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 94 97.343 -16.610 3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 94 98.374 -17.974 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 94 96.846 -16.772 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 94 98.387 -17.510 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 94 97.695 -14.607 6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 94 98.867 -15.378 7.102 1.00 0.00 H new ATOM 1470 N HIS A 95 99.758 -15.851 1.550 1.00 0.00 N ATOM 1471 CA HIS A 95 99.633 -15.166 0.228 1.00 0.00 C ATOM 1472 C HIS A 95 98.747 -15.987 -0.713 1.00 0.00 C ATOM 1473 O HIS A 95 98.385 -17.111 -0.413 1.00 0.00 O ATOM 1474 CB HIS A 95 101.061 -15.085 -0.312 1.00 0.00 C ATOM 1475 CG HIS A 95 101.705 -16.429 -0.518 1.00 0.00 C ATOM 1476 ND1 HIS A 95 101.485 -17.188 -1.657 1.00 0.00 N ATOM 1477 CD2 HIS A 95 102.564 -17.163 0.262 1.00 0.00 C ATOM 1478 CE1 HIS A 95 102.198 -18.323 -1.531 1.00 0.00 C ATOM 1479 NE2 HIS A 95 102.874 -18.359 -0.380 1.00 0.00 N ATOM 0 H HIS A 95 100.259 -16.739 1.529 1.00 0.00 H new ATOM 0 HA HIS A 95 99.174 -14.181 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 95 101.052 -14.547 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 95 101.669 -14.502 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 95 102.942 -16.859 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 95 102.221 -19.109 -2.271 1.00 0.00 H new ATOM 0 HE2 HIS A 95 103.486 -19.103 -0.044 1.00 0.00 H new ATOM 1487 N PHE A 96 98.398 -15.430 -1.848 1.00 0.00 N ATOM 1488 CA PHE A 96 97.533 -16.165 -2.819 1.00 0.00 C ATOM 1489 C PHE A 96 98.309 -16.452 -4.108 1.00 0.00 C ATOM 1490 O PHE A 96 99.180 -15.696 -4.497 1.00 0.00 O ATOM 1491 CB PHE A 96 96.363 -15.221 -3.097 1.00 0.00 C ATOM 1492 CG PHE A 96 95.536 -14.909 -1.872 1.00 0.00 C ATOM 1493 CD1 PHE A 96 94.485 -15.800 -1.470 1.00 0.00 C ATOM 1494 CD2 PHE A 96 95.801 -13.722 -1.110 1.00 0.00 C ATOM 1495 CE1 PHE A 96 93.699 -15.505 -0.306 1.00 0.00 C ATOM 1496 CE2 PHE A 96 95.016 -13.426 0.053 1.00 0.00 C ATOM 1497 CZ PHE A 96 93.964 -14.317 0.456 1.00 0.00 C ATOM 0 H PHE A 96 98.677 -14.494 -2.143 1.00 0.00 H new ATOM 0 HA PHE A 96 97.199 -17.127 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 96 96.749 -14.290 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 96 95.720 -15.666 -3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 96 94.286 -16.693 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 96 96.592 -13.052 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 96 92.909 -16.176 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 96 95.216 -12.533 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 96 93.373 -14.094 1.332 1.00 0.00 H new ATOM 1507 N SER A 97 97.996 -17.541 -4.767 1.00 0.00 N ATOM 1508 CA SER A 97 98.722 -17.900 -6.030 1.00 0.00 C ATOM 1509 C SER A 97 98.568 -16.786 -7.070 1.00 0.00 C ATOM 1510 O SER A 97 99.471 -16.515 -7.838 1.00 0.00 O ATOM 1511 CB SER A 97 98.062 -19.188 -6.528 1.00 0.00 C ATOM 1512 OG SER A 97 98.104 -20.166 -5.497 1.00 0.00 O ATOM 0 H SER A 97 97.269 -18.199 -4.486 1.00 0.00 H new ATOM 0 HA SER A 97 99.790 -18.032 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 97 97.030 -18.993 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 97 98.578 -19.555 -7.415 1.00 0.00 H new ATOM 0 HG SER A 97 97.681 -20.992 -5.812 1.00 0.00 H new ATOM 1518 N ASN A 98 97.424 -16.139 -7.101 1.00 0.00 N ATOM 1519 CA ASN A 98 97.184 -15.031 -8.089 1.00 0.00 C ATOM 1520 C ASN A 98 97.443 -15.516 -9.522 1.00 0.00 C ATOM 1521 O ASN A 98 98.082 -14.840 -10.307 1.00 0.00 O ATOM 1522 CB ASN A 98 98.166 -13.912 -7.713 1.00 0.00 C ATOM 1523 CG ASN A 98 97.871 -13.423 -6.292 1.00 0.00 C ATOM 1524 OD1 ASN A 98 96.778 -13.600 -5.788 1.00 0.00 O ATOM 1525 ND2 ASN A 98 98.807 -12.811 -5.620 1.00 0.00 N ATOM 0 H ASN A 98 96.639 -16.332 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 98 96.151 -14.685 -8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 98 99.191 -14.278 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 98 98.078 -13.085 -8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 98 98.622 -12.481 -4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 98 99.724 -12.662 -6.042 1.00 0.00 H new ATOM 1532 N ILE A 99 96.949 -16.682 -9.859 1.00 0.00 N ATOM 1533 CA ILE A 99 97.174 -17.233 -11.234 1.00 0.00 C ATOM 1534 C ILE A 99 96.602 -16.282 -12.296 1.00 0.00 C ATOM 1535 O ILE A 99 97.078 -16.235 -13.415 1.00 0.00 O ATOM 1536 CB ILE A 99 96.450 -18.590 -11.255 1.00 0.00 C ATOM 1537 CG1 ILE A 99 96.674 -19.263 -12.611 1.00 0.00 C ATOM 1538 CG2 ILE A 99 94.948 -18.398 -11.017 1.00 0.00 C ATOM 1539 CD1 ILE A 99 96.291 -20.742 -12.516 1.00 0.00 C ATOM 0 H ILE A 99 96.398 -17.278 -9.241 1.00 0.00 H new ATOM 0 HA ILE A 99 98.234 -17.345 -11.461 1.00 0.00 H new ATOM 0 HB ILE A 99 96.852 -19.219 -10.461 1.00 0.00 H new ATOM 0 HG12 ILE A 99 96.076 -18.770 -13.377 1.00 0.00 H new ATOM 0 HG13 ILE A 99 97.718 -19.165 -12.910 1.00 0.00 H new ATOM 0 HG21 ILE A 99 94.450 -19.367 -11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 99 94.791 -17.927 -10.047 1.00 0.00 H new ATOM 0 HG23 ILE A 99 94.534 -17.763 -11.800 1.00 0.00 H new ATOM 0 HD11 ILE A 99 96.450 -21.222 -13.482 1.00 0.00 H new ATOM 0 HD12 ILE A 99 96.909 -21.230 -11.762 1.00 0.00 H new ATOM 0 HD13 ILE A 99 95.241 -20.829 -12.237 1.00 0.00 H new ATOM 1551 N LEU A 100 95.588 -15.529 -11.945 1.00 0.00 N ATOM 1552 CA LEU A 100 94.984 -14.568 -12.923 1.00 0.00 C ATOM 1553 C LEU A 100 96.019 -13.521 -13.342 1.00 0.00 C ATOM 1554 O LEU A 100 96.034 -13.072 -14.474 1.00 0.00 O ATOM 1555 CB LEU A 100 93.819 -13.903 -12.181 1.00 0.00 C ATOM 1556 CG LEU A 100 92.776 -14.957 -11.798 1.00 0.00 C ATOM 1557 CD1 LEU A 100 91.665 -14.300 -10.976 1.00 0.00 C ATOM 1558 CD2 LEU A 100 92.169 -15.565 -13.066 1.00 0.00 C ATOM 0 H LEU A 100 95.152 -15.538 -11.023 1.00 0.00 H new ATOM 0 HA LEU A 100 94.648 -15.069 -13.831 1.00 0.00 H new ATOM 0 HB2 LEU A 100 94.186 -13.400 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 100 93.363 -13.140 -12.812 1.00 0.00 H new ATOM 0 HG LEU A 100 93.255 -15.740 -11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 100 90.922 -15.050 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 100 92.090 -13.865 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 100 91.190 -13.517 -11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 100 91.427 -16.315 -12.791 1.00 0.00 H new ATOM 0 HD22 LEU A 100 91.692 -14.780 -13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 100 92.956 -16.033 -13.658 1.00 0.00 H new ATOM 1570 N GLY A 101 96.884 -13.134 -12.435 1.00 0.00 N ATOM 1571 CA GLY A 101 97.926 -12.116 -12.766 1.00 0.00 C ATOM 1572 C GLY A 101 99.043 -12.773 -13.579 1.00 0.00 C ATOM 1573 O GLY A 101 98.767 -13.764 -14.236 1.00 0.00 O ATOM 1574 OXT GLY A 101 100.155 -12.275 -13.531 1.00 0.00 O ATOM 0 H GLY A 101 96.912 -13.482 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 101 97.482 -11.298 -13.333 1.00 0.00 H new ATOM 0 HA3 GLY A 101 98.333 -11.686 -11.851 1.00 0.00 H new TER 1578 GLY A 101