USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 789 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 89 GLN : amide:sc= -0.141 K(o=0.14,f=0.92) USER MOD Set 1.2: A 90 HIS : no HE2:sc= 0.276 K(o=0.14,f=-1.4!) USER MOD Set 2.1: A 58 ASN : amide:sc= 1.06 K(o=2.3,f=-7!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.000381 (180deg=-0.145) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 170:sc= -0.678 USER MOD Single : A 9 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.6!) USER MOD Single : A 10 GLN : amide:sc= -3.45! K(o=-3.4!,f=-0.078) USER MOD Single : A 17 GLN : amide:sc= -6.4! K(o=-6.4!,f=-3.6) USER MOD Single : A 22 GLN : amide:sc= -3.47! K(o=-3.5!,f=-0.14) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -3.71! K(o=-3.7!,f=-1.3) USER MOD Single : A 27 ASN : amide:sc= -1.44 K(o=-1.4,f=-10!) USER MOD Single : A 28 MET CE :methyl 162:sc= -0.0887 (180deg=-0.54) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 62:sc= 0.533 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.716 (180deg=-1.76!) USER MOD Single : A 51 THR OG1 : rot -43:sc= -1.63! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -113:sc= 0.979 (180deg=0.1) USER MOD Single : A 64 THR OG1 : rot 60:sc= -0.0956 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.9) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.24) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= 1.25 (180deg=-0.0977) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.085) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.146) USER MOD Single : A 88 HIS : no HD1:sc=-0.00317 X(o=-0.0032,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.241 -1.903 -1.454 1.00 54.24 N ATOM 2 CA MET A 1 4.579 -1.396 -1.044 1.00 4.13 C ATOM 3 C MET A 1 5.494 -2.554 -0.628 1.00 53.03 C ATOM 4 O MET A 1 5.362 -3.079 0.476 1.00 44.14 O ATOM 5 CB MET A 1 4.444 -0.395 0.114 1.00 55.51 C ATOM 6 CG MET A 1 3.656 0.857 -0.242 1.00 61.01 C ATOM 7 SD MET A 1 3.512 1.997 1.149 1.00 65.23 S ATOM 8 CE MET A 1 2.612 3.346 0.386 1.00 75.13 C ATOM 0 H1 MET A 1 2.702 -1.136 -1.905 1.00 54.24 H new ATOM 0 H2 MET A 1 3.358 -2.686 -2.128 1.00 54.24 H new ATOM 0 H3 MET A 1 2.726 -2.241 -0.616 1.00 54.24 H new ATOM 0 HA MET A 1 5.024 -0.889 -1.900 1.00 4.13 H new ATOM 0 HB2 MET A 1 3.959 -0.891 0.955 1.00 55.51 H new ATOM 0 HB3 MET A 1 5.440 -0.103 0.447 1.00 55.51 H new ATOM 0 HG2 MET A 1 4.142 1.364 -1.075 1.00 61.01 H new ATOM 0 HG3 MET A 1 2.660 0.572 -0.580 1.00 61.01 H new ATOM 0 HE1 MET A 1 2.444 4.133 1.121 1.00 75.13 H new ATOM 0 HE2 MET A 1 3.191 3.745 -0.447 1.00 75.13 H new ATOM 0 HE3 MET A 1 1.652 2.982 0.019 1.00 75.13 H new ATOM 20 N THR A 2 6.407 -2.956 -1.521 1.00 3.14 N ATOM 21 CA THR A 2 7.328 -4.078 -1.255 1.00 73.20 C ATOM 22 C THR A 2 6.562 -5.414 -1.122 1.00 23.33 C ATOM 23 O THR A 2 5.339 -5.428 -0.959 1.00 13.22 O ATOM 24 CB THR A 2 8.178 -3.818 0.025 1.00 4.44 C ATOM 25 OG1 THR A 2 8.803 -2.526 -0.056 1.00 65.11 O ATOM 26 CG2 THR A 2 9.260 -4.878 0.217 1.00 20.24 C ATOM 0 H THR A 2 6.531 -2.523 -2.436 1.00 3.14 H new ATOM 0 HA THR A 2 8.002 -4.152 -2.108 1.00 73.20 H new ATOM 0 HB THR A 2 7.500 -3.861 0.877 1.00 4.44 H new ATOM 0 HG1 THR A 2 9.334 -2.368 0.752 1.00 65.11 H new ATOM 0 HG21 THR A 2 9.829 -4.658 1.121 1.00 20.24 H new ATOM 0 HG22 THR A 2 8.795 -5.860 0.311 1.00 20.24 H new ATOM 0 HG23 THR A 2 9.930 -4.874 -0.643 1.00 20.24 H new ATOM 34 N ALA A 3 7.276 -6.537 -1.222 1.00 11.13 N ATOM 35 CA ALA A 3 6.654 -7.865 -1.114 1.00 4.02 C ATOM 36 C ALA A 3 5.981 -8.078 0.255 1.00 71.11 C ATOM 37 O ALA A 3 4.887 -8.638 0.339 1.00 15.32 O ATOM 38 CB ALA A 3 7.690 -8.952 -1.370 1.00 72.35 C ATOM 0 H ALA A 3 8.284 -6.557 -1.377 1.00 11.13 H new ATOM 0 HA ALA A 3 5.873 -7.925 -1.872 1.00 4.02 H new ATOM 0 HB1 ALA A 3 7.218 -9.931 -1.287 1.00 72.35 H new ATOM 0 HB2 ALA A 3 8.104 -8.832 -2.371 1.00 72.35 H new ATOM 0 HB3 ALA A 3 8.491 -8.872 -0.635 1.00 72.35 H new ATOM 44 N ALA A 4 6.642 -7.630 1.321 1.00 64.24 N ATOM 45 CA ALA A 4 6.102 -7.743 2.682 1.00 51.14 C ATOM 46 C ALA A 4 6.722 -6.696 3.624 1.00 72.32 C ATOM 47 O ALA A 4 7.821 -6.201 3.369 1.00 14.02 O ATOM 48 CB ALA A 4 6.348 -9.150 3.221 1.00 64.32 C ATOM 0 H ALA A 4 7.557 -7.183 1.271 1.00 64.24 H new ATOM 0 HA ALA A 4 5.029 -7.554 2.638 1.00 51.14 H new ATOM 0 HB1 ALA A 4 5.945 -9.228 4.231 1.00 64.32 H new ATOM 0 HB2 ALA A 4 5.855 -9.878 2.576 1.00 64.32 H new ATOM 0 HB3 ALA A 4 7.419 -9.350 3.241 1.00 64.32 H new ATOM 54 N PRO A 5 6.023 -6.335 4.727 1.00 3.51 N ATOM 55 CA PRO A 5 6.563 -5.405 5.740 1.00 72.41 C ATOM 56 C PRO A 5 7.950 -5.834 6.252 1.00 11.03 C ATOM 57 O PRO A 5 8.833 -4.998 6.458 1.00 70.24 O ATOM 58 CB PRO A 5 5.523 -5.468 6.868 1.00 32.20 C ATOM 59 CG PRO A 5 4.253 -5.851 6.185 1.00 10.03 C ATOM 60 CD PRO A 5 4.651 -6.775 5.062 1.00 33.13 C ATOM 0 HA PRO A 5 6.713 -4.403 5.337 1.00 72.41 H new ATOM 0 HB2 PRO A 5 5.803 -6.200 7.625 1.00 32.20 H new ATOM 0 HB3 PRO A 5 5.427 -4.507 7.374 1.00 32.20 H new ATOM 0 HG2 PRO A 5 3.572 -6.347 6.876 1.00 10.03 H new ATOM 0 HG3 PRO A 5 3.735 -4.972 5.802 1.00 10.03 H new ATOM 0 HD2 PRO A 5 4.629 -7.819 5.374 1.00 33.13 H new ATOM 0 HD3 PRO A 5 3.980 -6.683 4.208 1.00 33.13 H new ATOM 68 N ALA A 6 8.111 -7.146 6.470 1.00 20.43 N ATOM 69 CA ALA A 6 9.405 -7.757 6.822 1.00 10.35 C ATOM 70 C ALA A 6 9.951 -7.292 8.186 1.00 72.32 C ATOM 71 O ALA A 6 9.969 -8.058 9.151 1.00 71.23 O ATOM 72 CB ALA A 6 10.427 -7.497 5.715 1.00 50.23 C ATOM 0 H ALA A 6 7.346 -7.818 6.408 1.00 20.43 H new ATOM 0 HA ALA A 6 9.230 -8.829 6.916 1.00 10.35 H new ATOM 0 HB1 ALA A 6 11.380 -7.953 5.985 1.00 50.23 H new ATOM 0 HB2 ALA A 6 10.070 -7.930 4.781 1.00 50.23 H new ATOM 0 HB3 ALA A 6 10.561 -6.423 5.589 1.00 50.23 H new ATOM 78 N SER A 7 10.410 -6.045 8.255 1.00 12.13 N ATOM 79 CA SER A 7 11.038 -5.505 9.471 1.00 12.34 C ATOM 80 C SER A 7 10.116 -4.520 10.216 1.00 73.14 C ATOM 81 O SER A 7 9.414 -3.720 9.590 1.00 61.31 O ATOM 82 CB SER A 7 12.351 -4.798 9.106 1.00 20.22 C ATOM 83 OG SER A 7 12.888 -4.086 10.212 1.00 4.21 O ATOM 0 H SER A 7 10.361 -5.382 7.482 1.00 12.13 H new ATOM 0 HA SER A 7 11.233 -6.345 10.137 1.00 12.34 H new ATOM 0 HB2 SER A 7 13.077 -5.534 8.760 1.00 20.22 H new ATOM 0 HB3 SER A 7 12.176 -4.109 8.280 1.00 20.22 H new ATOM 0 HG SER A 7 13.795 -3.784 9.997 1.00 4.21 H new ATOM 89 N PRO A 8 10.124 -4.559 11.571 1.00 43.22 N ATOM 90 CA PRO A 8 9.361 -3.622 12.426 1.00 4.33 C ATOM 91 C PRO A 8 9.496 -2.141 12.010 1.00 2.45 C ATOM 92 O PRO A 8 8.627 -1.321 12.313 1.00 52.31 O ATOM 93 CB PRO A 8 9.962 -3.852 13.817 1.00 30.24 C ATOM 94 CG PRO A 8 10.407 -5.274 13.795 1.00 35.23 C ATOM 95 CD PRO A 8 10.878 -5.539 12.387 1.00 51.21 C ATOM 0 HA PRO A 8 8.290 -3.812 12.361 1.00 4.33 H new ATOM 0 HB2 PRO A 8 10.797 -3.177 14.006 1.00 30.24 H new ATOM 0 HB3 PRO A 8 9.226 -3.677 14.602 1.00 30.24 H new ATOM 0 HG2 PRO A 8 11.209 -5.443 14.513 1.00 35.23 H new ATOM 0 HG3 PRO A 8 9.590 -5.943 14.066 1.00 35.23 H new ATOM 0 HD2 PRO A 8 11.954 -5.395 12.292 1.00 51.21 H new ATOM 0 HD3 PRO A 8 10.665 -6.563 12.080 1.00 51.21 H new ATOM 103 N GLN A 9 10.591 -1.797 11.329 1.00 1.32 N ATOM 104 CA GLN A 9 10.830 -0.410 10.894 1.00 32.22 C ATOM 105 C GLN A 9 9.694 0.086 9.975 1.00 41.21 C ATOM 106 O GLN A 9 9.273 1.245 10.054 1.00 15.32 O ATOM 107 CB GLN A 9 12.178 -0.309 10.159 1.00 71.21 C ATOM 108 CG GLN A 9 13.353 -0.911 10.929 1.00 32.13 C ATOM 109 CD GLN A 9 13.583 -0.261 12.288 1.00 34.14 C ATOM 110 OE1 GLN A 9 13.315 0.918 12.485 1.00 3.01 O ATOM 111 NE2 GLN A 9 14.077 -1.030 13.238 1.00 23.31 N ATOM 0 H GLN A 9 11.326 -2.453 11.065 1.00 1.32 H new ATOM 0 HA GLN A 9 10.856 0.222 11.781 1.00 32.22 H new ATOM 0 HB2 GLN A 9 12.093 -0.811 9.195 1.00 71.21 H new ATOM 0 HB3 GLN A 9 12.391 0.740 9.954 1.00 71.21 H new ATOM 0 HG2 GLN A 9 13.177 -1.977 11.070 1.00 32.13 H new ATOM 0 HG3 GLN A 9 14.258 -0.813 10.330 1.00 32.13 H new ATOM 0 HE21 GLN A 9 14.290 -2.008 13.043 1.00 23.31 H new ATOM 0 HE22 GLN A 9 14.246 -0.647 14.168 1.00 23.31 H new ATOM 120 N GLN A 10 9.188 -0.806 9.119 1.00 14.44 N ATOM 121 CA GLN A 10 8.027 -0.499 8.268 1.00 43.35 C ATOM 122 C GLN A 10 6.751 -0.331 9.108 1.00 3.10 C ATOM 123 O GLN A 10 5.877 0.467 8.774 1.00 73.45 O ATOM 124 CB GLN A 10 7.819 -1.591 7.201 1.00 21.05 C ATOM 125 CG GLN A 10 8.758 -1.474 6.000 1.00 13.02 C ATOM 126 CD GLN A 10 10.227 -1.654 6.351 1.00 12.13 C ATOM 127 OE1 GLN A 10 11.096 -1.036 5.752 1.00 5.52 O ATOM 128 NE2 GLN A 10 10.525 -2.527 7.294 1.00 12.15 N ATOM 0 H GLN A 10 9.561 -1.747 8.994 1.00 14.44 H new ATOM 0 HA GLN A 10 8.233 0.445 7.763 1.00 43.35 H new ATOM 0 HB2 GLN A 10 7.958 -2.568 7.664 1.00 21.05 H new ATOM 0 HB3 GLN A 10 6.788 -1.549 6.849 1.00 21.05 H new ATOM 0 HG2 GLN A 10 8.477 -2.220 5.257 1.00 13.02 H new ATOM 0 HG3 GLN A 10 8.621 -0.497 5.537 1.00 13.02 H new ATOM 0 HE21 GLN A 10 9.781 -3.029 7.778 1.00 12.15 H new ATOM 0 HE22 GLN A 10 11.500 -2.700 7.539 1.00 12.15 H new ATOM 137 N ILE A 11 6.661 -1.082 10.205 1.00 21.51 N ATOM 138 CA ILE A 11 5.535 -0.966 11.138 1.00 1.42 C ATOM 139 C ILE A 11 5.475 0.442 11.753 1.00 53.22 C ATOM 140 O ILE A 11 4.415 1.069 11.798 1.00 42.14 O ATOM 141 CB ILE A 11 5.637 -2.028 12.265 1.00 20.15 C ATOM 142 CG1 ILE A 11 5.501 -3.445 11.674 1.00 42.11 C ATOM 143 CG2 ILE A 11 4.589 -1.784 13.351 1.00 73.11 C ATOM 144 CD1 ILE A 11 5.644 -4.557 12.693 1.00 31.11 C ATOM 0 H ILE A 11 7.355 -1.780 10.472 1.00 21.51 H new ATOM 0 HA ILE A 11 4.619 -1.142 10.573 1.00 1.42 H new ATOM 0 HB ILE A 11 6.618 -1.940 12.732 1.00 20.15 H new ATOM 0 HG12 ILE A 11 4.528 -3.533 11.190 1.00 42.11 H new ATOM 0 HG13 ILE A 11 6.256 -3.578 10.899 1.00 42.11 H new ATOM 0 HG21 ILE A 11 4.685 -2.544 14.127 1.00 73.11 H new ATOM 0 HG22 ILE A 11 4.741 -0.797 13.789 1.00 73.11 H new ATOM 0 HG23 ILE A 11 3.592 -1.837 12.913 1.00 73.11 H new ATOM 0 HD11 ILE A 11 5.536 -5.521 12.197 1.00 31.11 H new ATOM 0 HD12 ILE A 11 6.627 -4.498 13.161 1.00 31.11 H new ATOM 0 HD13 ILE A 11 4.873 -4.453 13.456 1.00 31.11 H new ATOM 156 N ARG A 12 6.623 0.938 12.211 1.00 11.55 N ATOM 157 CA ARG A 12 6.717 2.302 12.748 1.00 1.20 C ATOM 158 C ARG A 12 6.363 3.345 11.670 1.00 32.52 C ATOM 159 O ARG A 12 5.693 4.338 11.948 1.00 14.20 O ATOM 160 CB ARG A 12 8.127 2.551 13.306 1.00 34.34 C ATOM 161 CG ARG A 12 8.375 3.983 13.781 1.00 32.22 C ATOM 162 CD ARG A 12 9.725 4.123 14.482 1.00 54.25 C ATOM 163 NE ARG A 12 10.099 5.522 14.698 1.00 21.24 N ATOM 164 CZ ARG A 12 10.769 5.957 15.736 1.00 70.40 C ATOM 165 NH1 ARG A 12 11.038 5.169 16.728 1.00 54.30 N1+ ATOM 166 NH2 ARG A 12 11.139 7.192 15.793 1.00 30.24 N ATOM 0 H ARG A 12 7.502 0.420 12.223 1.00 11.55 H new ATOM 0 HA ARG A 12 5.996 2.406 13.559 1.00 1.20 H new ATOM 0 HB2 ARG A 12 8.300 1.870 14.139 1.00 34.34 H new ATOM 0 HB3 ARG A 12 8.858 2.305 12.536 1.00 34.34 H new ATOM 0 HG2 ARG A 12 8.336 4.661 12.928 1.00 32.22 H new ATOM 0 HG3 ARG A 12 7.579 4.283 14.462 1.00 32.22 H new ATOM 0 HD2 ARG A 12 9.688 3.607 15.442 1.00 54.25 H new ATOM 0 HD3 ARG A 12 10.494 3.632 13.885 1.00 54.25 H new ATOM 0 HE ARG A 12 9.819 6.204 13.993 1.00 21.24 H new ATOM 0 HH11 ARG A 12 10.727 4.198 16.707 1.00 54.30 H new ATOM 0 HH12 ARG A 12 11.561 5.520 17.531 1.00 54.30 H new ATOM 0 HH21 ARG A 12 10.910 7.829 15.030 1.00 30.24 H new ATOM 0 HH22 ARG A 12 11.661 7.531 16.601 1.00 30.24 H new ATOM 180 N ASP A 13 6.813 3.110 10.437 1.00 2.00 N ATOM 181 CA ASP A 13 6.443 3.967 9.302 1.00 10.34 C ATOM 182 C ASP A 13 4.920 3.992 9.098 1.00 44.21 C ATOM 183 O ASP A 13 4.302 5.055 8.999 1.00 32.30 O ATOM 184 CB ASP A 13 7.130 3.466 8.022 1.00 22.12 C ATOM 185 CG ASP A 13 6.646 4.185 6.770 1.00 33.32 C ATOM 186 OD1 ASP A 13 5.713 3.678 6.103 1.00 43.43 O ATOM 187 OD2 ASP A 13 7.193 5.261 6.448 1.00 4.13 O1- ATOM 0 H ASP A 13 7.433 2.337 10.196 1.00 2.00 H new ATOM 0 HA ASP A 13 6.775 4.982 9.522 1.00 10.34 H new ATOM 0 HB2 ASP A 13 8.208 3.599 8.118 1.00 22.12 H new ATOM 0 HB3 ASP A 13 6.950 2.397 7.913 1.00 22.12 H new ATOM 192 N ARG A 14 4.325 2.805 9.061 1.00 43.54 N ATOM 193 CA ARG A 14 2.903 2.650 8.755 1.00 14.31 C ATOM 194 C ARG A 14 2.009 3.155 9.902 1.00 44.30 C ATOM 195 O ARG A 14 0.916 3.664 9.667 1.00 22.45 O ATOM 196 CB ARG A 14 2.613 1.174 8.434 1.00 13.13 C ATOM 197 CG ARG A 14 1.371 0.937 7.573 1.00 14.44 C ATOM 198 CD ARG A 14 1.365 1.796 6.302 1.00 61.13 C ATOM 199 NE ARG A 14 2.710 2.063 5.771 1.00 53.35 N ATOM 200 CZ ARG A 14 3.026 2.027 4.507 1.00 32.14 C ATOM 201 NH1 ARG A 14 2.184 1.592 3.624 1.00 32.14 N1+ ATOM 202 NH2 ARG A 14 4.204 2.404 4.129 1.00 34.14 N ATOM 0 H ARG A 14 4.810 1.926 9.241 1.00 43.54 H new ATOM 0 HA ARG A 14 2.666 3.263 7.885 1.00 14.31 H new ATOM 0 HB2 ARG A 14 3.478 0.751 7.923 1.00 13.13 H new ATOM 0 HB3 ARG A 14 2.498 0.629 9.371 1.00 13.13 H new ATOM 0 HG2 ARG A 14 1.320 -0.116 7.296 1.00 14.44 H new ATOM 0 HG3 ARG A 14 0.479 1.156 8.160 1.00 14.44 H new ATOM 0 HD2 ARG A 14 0.773 1.294 5.536 1.00 61.13 H new ATOM 0 HD3 ARG A 14 0.872 2.744 6.516 1.00 61.13 H new ATOM 0 HE ARG A 14 3.447 2.292 6.438 1.00 53.35 H new ATOM 0 HH11 ARG A 14 1.260 1.272 3.915 1.00 32.14 H new ATOM 0 HH12 ARG A 14 2.445 1.570 2.638 1.00 32.14 H new ATOM 0 HH21 ARG A 14 4.882 2.728 4.819 1.00 34.14 H new ATOM 0 HH22 ARG A 14 4.455 2.377 3.141 1.00 34.14 H new ATOM 216 N LEU A 15 2.483 3.019 11.134 1.00 11.15 N ATOM 217 CA LEU A 15 1.741 3.494 12.308 1.00 24.42 C ATOM 218 C LEU A 15 1.632 5.031 12.331 1.00 2.10 C ATOM 219 O LEU A 15 0.541 5.588 12.458 1.00 55.40 O ATOM 220 CB LEU A 15 2.432 3.006 13.589 1.00 5.31 C ATOM 221 CG LEU A 15 1.735 3.392 14.904 1.00 71.21 C ATOM 222 CD1 LEU A 15 0.375 2.705 15.018 1.00 11.11 C ATOM 223 CD2 LEU A 15 2.621 3.057 16.104 1.00 61.31 C ATOM 0 H LEU A 15 3.379 2.584 11.352 1.00 11.15 H new ATOM 0 HA LEU A 15 0.731 3.088 12.251 1.00 24.42 H new ATOM 0 HB2 LEU A 15 2.513 1.920 13.546 1.00 5.31 H new ATOM 0 HB3 LEU A 15 3.448 3.401 13.607 1.00 5.31 H new ATOM 0 HG LEU A 15 1.568 4.469 14.899 1.00 71.21 H new ATOM 0 HD11 LEU A 15 -0.100 2.992 15.956 1.00 11.11 H new ATOM 0 HD12 LEU A 15 -0.257 3.008 14.183 1.00 11.11 H new ATOM 0 HD13 LEU A 15 0.511 1.624 14.996 1.00 11.11 H new ATOM 0 HD21 LEU A 15 2.109 3.338 17.024 1.00 61.31 H new ATOM 0 HD22 LEU A 15 2.828 1.987 16.116 1.00 61.31 H new ATOM 0 HD23 LEU A 15 3.559 3.607 16.028 1.00 61.31 H new ATOM 235 N LEU A 16 2.769 5.705 12.168 1.00 5.43 N ATOM 236 CA LEU A 16 2.835 7.172 12.300 1.00 31.21 C ATOM 237 C LEU A 16 2.069 7.905 11.183 1.00 54.23 C ATOM 238 O LEU A 16 1.561 9.006 11.393 1.00 11.45 O ATOM 239 CB LEU A 16 4.301 7.645 12.344 1.00 4.33 C ATOM 240 CG LEU A 16 4.983 7.564 13.727 1.00 33.33 C ATOM 241 CD1 LEU A 16 4.948 6.146 14.294 1.00 60.23 C ATOM 242 CD2 LEU A 16 6.422 8.072 13.647 1.00 65.05 C ATOM 0 H LEU A 16 3.661 5.265 11.944 1.00 5.43 H new ATOM 0 HA LEU A 16 2.346 7.426 13.240 1.00 31.21 H new ATOM 0 HB2 LEU A 16 4.879 7.049 11.638 1.00 4.33 H new ATOM 0 HB3 LEU A 16 4.342 8.678 11.998 1.00 4.33 H new ATOM 0 HG LEU A 16 4.421 8.204 14.407 1.00 33.33 H new ATOM 0 HD11 LEU A 16 5.438 6.131 15.268 1.00 60.23 H new ATOM 0 HD12 LEU A 16 3.913 5.823 14.404 1.00 60.23 H new ATOM 0 HD13 LEU A 16 5.469 5.470 13.616 1.00 60.23 H new ATOM 0 HD21 LEU A 16 6.886 8.007 14.631 1.00 65.05 H new ATOM 0 HD22 LEU A 16 6.984 7.462 12.940 1.00 65.05 H new ATOM 0 HD23 LEU A 16 6.424 9.110 13.313 1.00 65.05 H new ATOM 254 N GLN A 17 1.995 7.307 9.998 1.00 63.23 N ATOM 255 CA GLN A 17 1.238 7.904 8.886 1.00 52.54 C ATOM 256 C GLN A 17 -0.282 7.688 9.053 1.00 44.22 C ATOM 257 O GLN A 17 -1.092 8.312 8.361 1.00 33.11 O ATOM 258 CB GLN A 17 1.734 7.335 7.542 1.00 22.21 C ATOM 259 CG GLN A 17 1.516 5.829 7.365 1.00 5.21 C ATOM 260 CD GLN A 17 0.131 5.473 6.839 1.00 2.13 C ATOM 261 OE1 GLN A 17 -0.467 6.215 6.072 1.00 62.13 O ATOM 262 NE2 GLN A 17 -0.398 4.343 7.261 1.00 52.01 N ATOM 0 H GLN A 17 2.443 6.418 9.777 1.00 63.23 H new ATOM 0 HA GLN A 17 1.412 8.980 8.896 1.00 52.54 H new ATOM 0 HB2 GLN A 17 1.227 7.859 6.732 1.00 22.21 H new ATOM 0 HB3 GLN A 17 2.798 7.548 7.443 1.00 22.21 H new ATOM 0 HG2 GLN A 17 2.268 5.439 6.679 1.00 5.21 H new ATOM 0 HG3 GLN A 17 1.671 5.332 8.323 1.00 5.21 H new ATOM 0 HE21 GLN A 17 0.123 3.743 7.901 1.00 52.01 H new ATOM 0 HE22 GLN A 17 -1.329 4.068 6.948 1.00 52.01 H new ATOM 271 N ALA A 18 -0.663 6.804 9.979 1.00 70.04 N ATOM 272 CA ALA A 18 -2.078 6.479 10.215 1.00 55.52 C ATOM 273 C ALA A 18 -2.662 7.249 11.413 1.00 43.14 C ATOM 274 O ALA A 18 -3.871 7.505 11.471 1.00 61.32 O ATOM 275 CB ALA A 18 -2.232 4.976 10.433 1.00 55.23 C ATOM 0 H ALA A 18 -0.012 6.298 10.580 1.00 70.04 H new ATOM 0 HA ALA A 18 -2.638 6.785 9.331 1.00 55.52 H new ATOM 0 HB1 ALA A 18 -3.282 4.739 10.608 1.00 55.23 H new ATOM 0 HB2 ALA A 18 -1.882 4.442 9.549 1.00 55.23 H new ATOM 0 HB3 ALA A 18 -1.643 4.672 11.298 1.00 55.23 H new ATOM 281 N ILE A 19 -1.803 7.621 12.365 1.00 72.35 N ATOM 282 CA ILE A 19 -2.242 8.321 13.582 1.00 23.02 C ATOM 283 C ILE A 19 -1.307 9.488 13.943 1.00 14.04 C ATOM 284 O ILE A 19 -0.128 9.486 13.593 1.00 75.05 O ATOM 285 CB ILE A 19 -2.316 7.356 14.801 1.00 62.34 C ATOM 286 CG1 ILE A 19 -0.923 6.801 15.149 1.00 31.24 C ATOM 287 CG2 ILE A 19 -3.296 6.215 14.532 1.00 22.40 C ATOM 288 CD1 ILE A 19 -0.904 5.929 16.388 1.00 51.34 C ATOM 0 H ILE A 19 -0.798 7.451 12.320 1.00 72.35 H new ATOM 0 HA ILE A 19 -3.236 8.711 13.362 1.00 23.02 H new ATOM 0 HB ILE A 19 -2.679 7.925 15.657 1.00 62.34 H new ATOM 0 HG12 ILE A 19 -0.551 6.223 14.303 1.00 31.24 H new ATOM 0 HG13 ILE A 19 -0.235 7.635 15.292 1.00 31.24 H new ATOM 0 HG21 ILE A 19 -3.331 5.554 15.398 1.00 22.40 H new ATOM 0 HG22 ILE A 19 -4.289 6.624 14.348 1.00 22.40 H new ATOM 0 HG23 ILE A 19 -2.968 5.652 13.658 1.00 22.40 H new ATOM 0 HD11 ILE A 19 0.111 5.576 16.569 1.00 51.34 H new ATOM 0 HD12 ILE A 19 -1.245 6.509 17.246 1.00 51.34 H new ATOM 0 HD13 ILE A 19 -1.565 5.075 16.242 1.00 51.34 H new ATOM 300 N ASP A 20 -1.846 10.488 14.641 1.00 54.33 N ATOM 301 CA ASP A 20 -1.028 11.582 15.180 1.00 35.22 C ATOM 302 C ASP A 20 -0.216 11.102 16.395 1.00 13.31 C ATOM 303 O ASP A 20 -0.706 10.296 17.188 1.00 1.34 O ATOM 304 CB ASP A 20 -1.913 12.762 15.608 1.00 34.31 C ATOM 305 CG ASP A 20 -2.629 13.421 14.445 1.00 2.53 C ATOM 306 OD1 ASP A 20 -3.821 13.128 14.234 1.00 30.03 O ATOM 307 OD2 ASP A 20 -2.006 14.251 13.749 1.00 63.43 O1- ATOM 0 H ASP A 20 -2.842 10.566 14.848 1.00 54.33 H new ATOM 0 HA ASP A 20 -0.348 11.906 14.392 1.00 35.22 H new ATOM 0 HB2 ASP A 20 -2.651 12.412 16.330 1.00 34.31 H new ATOM 0 HB3 ASP A 20 -1.298 13.505 16.116 1.00 34.31 H new ATOM 312 N PRO A 21 1.024 11.609 16.579 1.00 21.31 N ATOM 313 CA PRO A 21 1.859 11.272 17.754 1.00 64.50 C ATOM 314 C PRO A 21 1.123 11.478 19.093 1.00 11.35 C ATOM 315 O PRO A 21 1.527 10.951 20.128 1.00 41.11 O ATOM 316 CB PRO A 21 3.044 12.242 17.633 1.00 1.01 C ATOM 317 CG PRO A 21 3.137 12.541 16.173 1.00 13.15 C ATOM 318 CD PRO A 21 1.720 12.531 15.657 1.00 42.43 C ATOM 0 HA PRO A 21 2.145 10.220 17.758 1.00 64.50 H new ATOM 0 HB2 PRO A 21 2.875 13.149 18.214 1.00 1.01 H new ATOM 0 HB3 PRO A 21 3.964 11.792 18.005 1.00 1.01 H new ATOM 0 HG2 PRO A 21 3.608 13.509 16.002 1.00 13.15 H new ATOM 0 HG3 PRO A 21 3.745 11.796 15.660 1.00 13.15 H new ATOM 0 HD2 PRO A 21 1.279 13.527 15.677 1.00 42.43 H new ATOM 0 HD3 PRO A 21 1.671 12.181 14.626 1.00 42.43 H new ATOM 326 N GLN A 22 0.032 12.247 19.052 1.00 43.54 N ATOM 327 CA GLN A 22 -0.804 12.495 20.231 1.00 21.34 C ATOM 328 C GLN A 22 -1.890 11.413 20.401 1.00 73.10 C ATOM 329 O GLN A 22 -2.878 11.627 21.104 1.00 52.33 O ATOM 330 CB GLN A 22 -1.466 13.877 20.111 1.00 72.24 C ATOM 331 CG GLN A 22 -0.491 15.027 19.854 1.00 23.03 C ATOM 332 CD GLN A 22 0.269 15.502 21.089 1.00 14.25 C ATOM 333 OE1 GLN A 22 0.603 16.675 21.199 1.00 31.42 O ATOM 334 NE2 GLN A 22 0.562 14.614 22.021 1.00 52.12 N ATOM 0 H GLN A 22 -0.296 12.713 18.206 1.00 43.54 H new ATOM 0 HA GLN A 22 -0.161 12.463 21.110 1.00 21.34 H new ATOM 0 HB2 GLN A 22 -2.195 13.848 19.301 1.00 72.24 H new ATOM 0 HB3 GLN A 22 -2.017 14.083 21.029 1.00 72.24 H new ATOM 0 HG2 GLN A 22 0.229 14.714 19.098 1.00 23.03 H new ATOM 0 HG3 GLN A 22 -1.044 15.869 19.437 1.00 23.03 H new ATOM 0 HE21 GLN A 22 0.274 13.642 21.908 1.00 52.12 H new ATOM 0 HE22 GLN A 22 1.077 14.900 22.854 1.00 52.12 H new ATOM 343 N SER A 23 -1.699 10.258 19.756 1.00 2.42 N ATOM 344 CA SER A 23 -2.645 9.129 19.853 1.00 52.52 C ATOM 345 C SER A 23 -4.016 9.450 19.235 1.00 35.03 C ATOM 346 O SER A 23 -5.055 9.134 19.808 1.00 23.21 O ATOM 347 CB SER A 23 -2.822 8.679 21.316 1.00 75.44 C ATOM 348 OG SER A 23 -1.665 8.010 21.792 1.00 53.33 O ATOM 0 H SER A 23 -0.895 10.075 19.156 1.00 2.42 H new ATOM 0 HA SER A 23 -2.208 8.314 19.277 1.00 52.52 H new ATOM 0 HB2 SER A 23 -3.027 9.546 21.943 1.00 75.44 H new ATOM 0 HB3 SER A 23 -3.685 8.018 21.394 1.00 75.44 H new ATOM 0 HG SER A 23 -1.805 7.737 22.723 1.00 53.33 H new ATOM 354 N ASN A 24 -4.022 10.073 18.057 1.00 74.44 N ATOM 355 CA ASN A 24 -5.281 10.356 17.346 1.00 54.42 C ATOM 356 C ASN A 24 -5.453 9.424 16.140 1.00 71.43 C ATOM 357 O ASN A 24 -4.571 9.335 15.288 1.00 54.25 O ATOM 358 CB ASN A 24 -5.313 11.811 16.868 1.00 45.23 C ATOM 359 CG ASN A 24 -5.271 12.800 18.014 1.00 72.22 C ATOM 360 OD1 ASN A 24 -6.301 13.218 18.527 1.00 72.24 O ATOM 361 ND2 ASN A 24 -4.082 13.189 18.419 1.00 23.32 N ATOM 0 H ASN A 24 -3.182 10.391 17.574 1.00 74.44 H new ATOM 0 HA ASN A 24 -6.100 10.186 18.045 1.00 54.42 H new ATOM 0 HB2 ASN A 24 -4.466 11.991 16.206 1.00 45.23 H new ATOM 0 HB3 ASN A 24 -6.217 11.977 16.282 1.00 45.23 H new ATOM 0 HD21 ASN A 24 -3.998 13.859 19.183 1.00 23.32 H new ATOM 0 HD22 ASN A 24 -3.244 12.820 17.969 1.00 23.32 H new ATOM 368 N ILE A 25 -6.610 8.770 16.050 1.00 55.14 N ATOM 369 CA ILE A 25 -6.896 7.841 14.950 1.00 64.21 C ATOM 370 C ILE A 25 -7.451 8.597 13.728 1.00 61.24 C ATOM 371 O ILE A 25 -8.604 9.031 13.738 1.00 72.20 O ATOM 372 CB ILE A 25 -7.928 6.760 15.381 1.00 33.43 C ATOM 373 CG1 ILE A 25 -7.431 5.988 16.621 1.00 23.33 C ATOM 374 CG2 ILE A 25 -8.218 5.795 14.226 1.00 10.33 C ATOM 375 CD1 ILE A 25 -6.198 5.145 16.369 1.00 75.12 C ATOM 0 H ILE A 25 -7.368 8.864 16.726 1.00 55.14 H new ATOM 0 HA ILE A 25 -5.957 7.355 14.686 1.00 64.21 H new ATOM 0 HB ILE A 25 -8.856 7.267 15.645 1.00 33.43 H new ATOM 0 HG12 ILE A 25 -7.215 6.700 17.417 1.00 23.33 H new ATOM 0 HG13 ILE A 25 -8.233 5.343 16.980 1.00 23.33 H new ATOM 0 HG21 ILE A 25 -8.942 5.047 14.550 1.00 10.33 H new ATOM 0 HG22 ILE A 25 -8.623 6.351 13.381 1.00 10.33 H new ATOM 0 HG23 ILE A 25 -7.295 5.300 13.925 1.00 10.33 H new ATOM 0 HD11 ILE A 25 -5.912 4.634 17.289 1.00 75.12 H new ATOM 0 HD12 ILE A 25 -6.413 4.407 15.596 1.00 75.12 H new ATOM 0 HD13 ILE A 25 -5.380 5.786 16.041 1.00 75.12 H new ATOM 387 N ARG A 26 -6.637 8.772 12.683 1.00 61.14 N ATOM 388 CA ARG A 26 -7.088 9.494 11.479 1.00 45.40 C ATOM 389 C ARG A 26 -7.659 8.555 10.407 1.00 74.41 C ATOM 390 O ARG A 26 -8.720 8.818 9.834 1.00 71.35 O ATOM 391 CB ARG A 26 -5.925 10.269 10.849 1.00 22.24 C ATOM 392 CG ARG A 26 -5.467 11.499 11.622 1.00 40.44 C ATOM 393 CD ARG A 26 -4.444 12.283 10.805 1.00 73.12 C ATOM 394 NE ARG A 26 -4.054 13.536 11.437 1.00 20.31 N ATOM 395 CZ ARG A 26 -3.705 14.606 10.777 1.00 31.42 C ATOM 396 NH1 ARG A 26 -3.727 14.622 9.482 1.00 20.23 N1+ ATOM 397 NH2 ARG A 26 -3.328 15.661 11.417 1.00 33.01 N ATOM 0 H ARG A 26 -5.676 8.432 12.641 1.00 61.14 H new ATOM 0 HA ARG A 26 -7.875 10.171 11.812 1.00 45.40 H new ATOM 0 HB2 ARG A 26 -5.077 9.593 10.739 1.00 22.24 H new ATOM 0 HB3 ARG A 26 -6.218 10.579 9.846 1.00 22.24 H new ATOM 0 HG2 ARG A 26 -6.323 12.133 11.851 1.00 40.44 H new ATOM 0 HG3 ARG A 26 -5.029 11.198 12.574 1.00 40.44 H new ATOM 0 HD2 ARG A 26 -3.558 11.667 10.654 1.00 73.12 H new ATOM 0 HD3 ARG A 26 -4.858 12.493 9.819 1.00 73.12 H new ATOM 0 HE ARG A 26 -4.054 13.580 12.456 1.00 20.31 H new ATOM 0 HH11 ARG A 26 -4.020 13.792 8.967 1.00 20.23 H new ATOM 0 HH12 ARG A 26 -3.452 15.465 8.978 1.00 20.23 H new ATOM 0 HH21 ARG A 26 -3.303 15.657 12.437 1.00 33.01 H new ATOM 0 HH22 ARG A 26 -3.055 16.499 10.903 1.00 33.01 H new ATOM 411 N ASN A 27 -6.959 7.451 10.155 1.00 41.00 N ATOM 412 CA ASN A 27 -7.261 6.590 9.005 1.00 1.30 C ATOM 413 C ASN A 27 -7.456 5.128 9.430 1.00 30.11 C ATOM 414 O ASN A 27 -6.500 4.454 9.817 1.00 54.03 O ATOM 415 CB ASN A 27 -6.116 6.696 7.989 1.00 5.52 C ATOM 416 CG ASN A 27 -6.455 6.095 6.637 1.00 5.13 C ATOM 417 OD1 ASN A 27 -7.272 5.190 6.531 1.00 42.40 O ATOM 418 ND2 ASN A 27 -5.807 6.579 5.595 1.00 23.53 N ATOM 0 H ASN A 27 -6.179 7.129 10.728 1.00 41.00 H new ATOM 0 HA ASN A 27 -8.195 6.926 8.554 1.00 1.30 H new ATOM 0 HB2 ASN A 27 -5.853 7.745 7.857 1.00 5.52 H new ATOM 0 HB3 ASN A 27 -5.235 6.195 8.391 1.00 5.52 H new ATOM 0 HD21 ASN A 27 -5.980 6.198 4.665 1.00 23.53 H new ATOM 0 HD22 ASN A 27 -5.132 7.334 5.720 1.00 23.53 H new ATOM 425 N MET A 28 -8.690 4.639 9.334 1.00 11.11 N ATOM 426 CA MET A 28 -9.010 3.274 9.757 1.00 41.24 C ATOM 427 C MET A 28 -8.269 2.228 8.908 1.00 31.02 C ATOM 428 O MET A 28 -7.575 1.369 9.445 1.00 13.53 O ATOM 429 CB MET A 28 -10.524 3.029 9.695 1.00 1.13 C ATOM 430 CG MET A 28 -10.937 1.660 10.226 1.00 13.12 C ATOM 431 SD MET A 28 -10.496 1.421 11.961 1.00 21.53 S ATOM 432 CE MET A 28 -11.443 2.725 12.746 1.00 42.40 C ATOM 0 H MET A 28 -9.484 5.164 8.968 1.00 11.11 H new ATOM 0 HA MET A 28 -8.675 3.166 10.789 1.00 41.24 H new ATOM 0 HB2 MET A 28 -11.034 3.802 10.269 1.00 1.13 H new ATOM 0 HB3 MET A 28 -10.859 3.126 8.662 1.00 1.13 H new ATOM 0 HG2 MET A 28 -12.014 1.540 10.110 1.00 13.12 H new ATOM 0 HG3 MET A 28 -10.463 0.884 9.625 1.00 13.12 H new ATOM 0 HE1 MET A 28 -11.534 2.517 13.812 1.00 42.40 H new ATOM 0 HE2 MET A 28 -10.935 3.679 12.604 1.00 42.40 H new ATOM 0 HE3 MET A 28 -12.436 2.773 12.300 1.00 42.40 H new ATOM 442 N VAL A 29 -8.393 2.320 7.580 1.00 2.13 N ATOM 443 CA VAL A 29 -7.764 1.338 6.682 1.00 52.22 C ATOM 444 C VAL A 29 -6.226 1.365 6.797 1.00 75.35 C ATOM 445 O VAL A 29 -5.573 0.321 6.740 1.00 1.42 O ATOM 446 CB VAL A 29 -8.198 1.541 5.201 1.00 45.10 C ATOM 447 CG1 VAL A 29 -7.747 2.898 4.659 1.00 23.21 C ATOM 448 CG2 VAL A 29 -7.682 0.401 4.321 1.00 63.24 C ATOM 0 H VAL A 29 -8.917 3.055 7.104 1.00 2.13 H new ATOM 0 HA VAL A 29 -8.114 0.357 7.003 1.00 52.22 H new ATOM 0 HB VAL A 29 -9.288 1.527 5.175 1.00 45.10 H new ATOM 0 HG11 VAL A 29 -8.069 3.001 3.623 1.00 23.21 H new ATOM 0 HG12 VAL A 29 -8.190 3.694 5.258 1.00 23.21 H new ATOM 0 HG13 VAL A 29 -6.660 2.967 4.710 1.00 23.21 H new ATOM 0 HG21 VAL A 29 -7.998 0.565 3.291 1.00 63.24 H new ATOM 0 HG22 VAL A 29 -6.593 0.371 4.366 1.00 63.24 H new ATOM 0 HG23 VAL A 29 -8.087 -0.546 4.678 1.00 63.24 H new ATOM 458 N ALA A 30 -5.651 2.556 6.979 1.00 33.42 N ATOM 459 CA ALA A 30 -4.200 2.685 7.189 1.00 54.41 C ATOM 460 C ALA A 30 -3.772 2.030 8.513 1.00 74.33 C ATOM 461 O ALA A 30 -2.726 1.381 8.591 1.00 2.44 O ATOM 462 CB ALA A 30 -3.778 4.149 7.159 1.00 31.45 C ATOM 0 H ALA A 30 -6.159 3.440 6.986 1.00 33.42 H new ATOM 0 HA ALA A 30 -3.698 2.163 6.374 1.00 54.41 H new ATOM 0 HB1 ALA A 30 -2.702 4.221 7.316 1.00 31.45 H new ATOM 0 HB2 ALA A 30 -4.033 4.581 6.191 1.00 31.45 H new ATOM 0 HB3 ALA A 30 -4.297 4.694 7.948 1.00 31.45 H new ATOM 468 N VAL A 31 -4.587 2.212 9.552 1.00 75.30 N ATOM 469 CA VAL A 31 -4.380 1.527 10.832 1.00 21.30 C ATOM 470 C VAL A 31 -4.475 0.003 10.655 1.00 63.31 C ATOM 471 O VAL A 31 -3.615 -0.743 11.118 1.00 63.34 O ATOM 472 CB VAL A 31 -5.403 2.013 11.900 1.00 35.31 C ATOM 473 CG1 VAL A 31 -5.482 1.056 13.084 1.00 13.02 C ATOM 474 CG2 VAL A 31 -5.037 3.410 12.389 1.00 31.15 C ATOM 0 H VAL A 31 -5.399 2.829 9.534 1.00 75.30 H new ATOM 0 HA VAL A 31 -3.378 1.774 11.184 1.00 21.30 H new ATOM 0 HB VAL A 31 -6.383 2.040 11.423 1.00 35.31 H new ATOM 0 HG11 VAL A 31 -6.207 1.431 13.807 1.00 13.02 H new ATOM 0 HG12 VAL A 31 -5.793 0.071 12.736 1.00 13.02 H new ATOM 0 HG13 VAL A 31 -4.503 0.981 13.557 1.00 13.02 H new ATOM 0 HG21 VAL A 31 -5.762 3.736 13.135 1.00 31.15 H new ATOM 0 HG22 VAL A 31 -4.042 3.391 12.834 1.00 31.15 H new ATOM 0 HG23 VAL A 31 -5.045 4.104 11.548 1.00 31.15 H new ATOM 484 N LEU A 32 -5.504 -0.453 9.950 1.00 4.33 N ATOM 485 CA LEU A 32 -5.673 -1.881 9.663 1.00 63.22 C ATOM 486 C LEU A 32 -4.431 -2.462 8.969 1.00 14.10 C ATOM 487 O LEU A 32 -4.087 -3.625 9.171 1.00 61.03 O ATOM 488 CB LEU A 32 -6.918 -2.100 8.794 1.00 14.31 C ATOM 489 CG LEU A 32 -8.244 -1.657 9.433 1.00 33.24 C ATOM 490 CD1 LEU A 32 -9.398 -1.815 8.450 1.00 54.12 C ATOM 491 CD2 LEU A 32 -8.515 -2.436 10.720 1.00 2.03 C ATOM 0 H LEU A 32 -6.237 0.142 9.564 1.00 4.33 H new ATOM 0 HA LEU A 32 -5.802 -2.403 10.611 1.00 63.22 H new ATOM 0 HB2 LEU A 32 -6.787 -1.561 7.856 1.00 14.31 H new ATOM 0 HB3 LEU A 32 -6.988 -3.159 8.546 1.00 14.31 H new ATOM 0 HG LEU A 32 -8.160 -0.601 9.689 1.00 33.24 H new ATOM 0 HD11 LEU A 32 -10.326 -1.496 8.924 1.00 54.12 H new ATOM 0 HD12 LEU A 32 -9.211 -1.202 7.568 1.00 54.12 H new ATOM 0 HD13 LEU A 32 -9.483 -2.861 8.154 1.00 54.12 H new ATOM 0 HD21 LEU A 32 -9.459 -2.105 11.154 1.00 2.03 H new ATOM 0 HD22 LEU A 32 -8.573 -3.501 10.495 1.00 2.03 H new ATOM 0 HD23 LEU A 32 -7.707 -2.258 11.430 1.00 2.03 H new ATOM 503 N GLU A 33 -3.761 -1.644 8.159 1.00 61.23 N ATOM 504 CA GLU A 33 -2.516 -2.051 7.493 1.00 43.34 C ATOM 505 C GLU A 33 -1.384 -2.338 8.495 1.00 62.04 C ATOM 506 O GLU A 33 -0.715 -3.373 8.409 1.00 63.41 O ATOM 507 CB GLU A 33 -2.073 -0.972 6.496 1.00 22.43 C ATOM 508 CG GLU A 33 -2.850 -0.993 5.187 1.00 12.34 C ATOM 509 CD GLU A 33 -2.569 -2.250 4.380 1.00 11.30 C ATOM 510 OE1 GLU A 33 -3.345 -3.226 4.489 1.00 14.32 O ATOM 511 OE2 GLU A 33 -1.557 -2.272 3.649 1.00 71.41 O1- ATOM 0 H GLU A 33 -4.057 -0.692 7.945 1.00 61.23 H new ATOM 0 HA GLU A 33 -2.723 -2.980 6.961 1.00 43.34 H new ATOM 0 HB2 GLU A 33 -2.187 0.008 6.960 1.00 22.43 H new ATOM 0 HB3 GLU A 33 -1.012 -1.102 6.281 1.00 22.43 H new ATOM 0 HG2 GLU A 33 -3.917 -0.928 5.398 1.00 12.34 H new ATOM 0 HG3 GLU A 33 -2.588 -0.116 4.595 1.00 12.34 H new ATOM 518 N VAL A 34 -1.166 -1.433 9.452 1.00 20.14 N ATOM 519 CA VAL A 34 -0.111 -1.638 10.451 1.00 51.21 C ATOM 520 C VAL A 34 -0.461 -2.811 11.389 1.00 2.20 C ATOM 521 O VAL A 34 0.401 -3.618 11.728 1.00 42.21 O ATOM 522 CB VAL A 34 0.206 -0.348 11.265 1.00 12.52 C ATOM 523 CG1 VAL A 34 -1.011 0.163 12.025 1.00 45.40 C ATOM 524 CG2 VAL A 34 1.380 -0.578 12.216 1.00 52.13 C ATOM 0 H VAL A 34 -1.694 -0.567 9.557 1.00 20.14 H new ATOM 0 HA VAL A 34 0.796 -1.891 9.902 1.00 51.21 H new ATOM 0 HB VAL A 34 0.487 0.423 10.547 1.00 12.52 H new ATOM 0 HG11 VAL A 34 -0.743 1.063 12.578 1.00 45.40 H new ATOM 0 HG12 VAL A 34 -1.809 0.394 11.320 1.00 45.40 H new ATOM 0 HG13 VAL A 34 -1.353 -0.602 12.722 1.00 45.40 H new ATOM 0 HG21 VAL A 34 1.582 0.337 12.773 1.00 52.13 H new ATOM 0 HG22 VAL A 34 1.133 -1.379 12.912 1.00 52.13 H new ATOM 0 HG23 VAL A 34 2.264 -0.856 11.642 1.00 52.13 H new ATOM 534 N ILE A 35 -1.735 -2.925 11.777 1.00 55.23 N ATOM 535 CA ILE A 35 -2.206 -4.095 12.540 1.00 12.22 C ATOM 536 C ILE A 35 -1.983 -5.393 11.737 1.00 32.32 C ATOM 537 O ILE A 35 -1.494 -6.392 12.269 1.00 41.43 O ATOM 538 CB ILE A 35 -3.712 -3.972 12.940 1.00 44.00 C ATOM 539 CG1 ILE A 35 -3.899 -3.029 14.150 1.00 12.33 C ATOM 540 CG2 ILE A 35 -4.318 -5.346 13.249 1.00 44.12 C ATOM 541 CD1 ILE A 35 -3.476 -1.601 13.912 1.00 52.30 C ATOM 0 H ILE A 35 -2.456 -2.231 11.580 1.00 55.23 H new ATOM 0 HA ILE A 35 -1.620 -4.131 13.458 1.00 12.22 H new ATOM 0 HB ILE A 35 -4.236 -3.544 12.086 1.00 44.00 H new ATOM 0 HG12 ILE A 35 -4.950 -3.038 14.441 1.00 12.33 H new ATOM 0 HG13 ILE A 35 -3.332 -3.425 14.992 1.00 12.33 H new ATOM 0 HG21 ILE A 35 -5.366 -5.228 13.524 1.00 44.12 H new ATOM 0 HG22 ILE A 35 -4.244 -5.983 12.368 1.00 44.12 H new ATOM 0 HG23 ILE A 35 -3.776 -5.805 14.075 1.00 44.12 H new ATOM 0 HD11 ILE A 35 -3.644 -1.016 14.816 1.00 52.30 H new ATOM 0 HD12 ILE A 35 -2.417 -1.573 13.654 1.00 52.30 H new ATOM 0 HD13 ILE A 35 -4.060 -1.180 13.094 1.00 52.30 H new ATOM 553 N SER A 36 -2.320 -5.353 10.446 1.00 2.44 N ATOM 554 CA SER A 36 -2.098 -6.490 9.532 1.00 1.23 C ATOM 555 C SER A 36 -0.616 -6.881 9.487 1.00 51.44 C ATOM 556 O SER A 36 -0.269 -8.058 9.346 1.00 65.32 O ATOM 557 CB SER A 36 -2.582 -6.133 8.118 1.00 2.34 C ATOM 558 OG SER A 36 -2.284 -7.157 7.179 1.00 12.21 O ATOM 0 H SER A 36 -2.751 -4.542 10.002 1.00 2.44 H new ATOM 0 HA SER A 36 -2.668 -7.340 9.907 1.00 1.23 H new ATOM 0 HB2 SER A 36 -3.658 -5.960 8.136 1.00 2.34 H new ATOM 0 HB3 SER A 36 -2.114 -5.201 7.799 1.00 2.34 H new ATOM 0 HG SER A 36 -2.609 -6.893 6.293 1.00 12.21 H new ATOM 564 N SER A 37 0.256 -5.881 9.602 1.00 71.05 N ATOM 565 CA SER A 37 1.702 -6.117 9.670 1.00 15.34 C ATOM 566 C SER A 37 2.070 -6.913 10.932 1.00 12.15 C ATOM 567 O SER A 37 2.797 -7.897 10.859 1.00 31.31 O ATOM 568 CB SER A 37 2.471 -4.786 9.642 1.00 72.50 C ATOM 569 OG SER A 37 2.191 -4.050 8.457 1.00 40.31 O ATOM 0 H SER A 37 -0.011 -4.898 9.650 1.00 71.05 H new ATOM 0 HA SER A 37 1.986 -6.704 8.797 1.00 15.34 H new ATOM 0 HB2 SER A 37 2.202 -4.190 10.514 1.00 72.50 H new ATOM 0 HB3 SER A 37 3.541 -4.981 9.707 1.00 72.50 H new ATOM 0 HG SER A 37 1.238 -3.824 8.430 1.00 40.31 H new ATOM 575 N LEU A 38 1.542 -6.488 12.082 1.00 51.00 N ATOM 576 CA LEU A 38 1.786 -7.179 13.362 1.00 14.31 C ATOM 577 C LEU A 38 1.265 -8.628 13.350 1.00 3.32 C ATOM 578 O LEU A 38 1.865 -9.514 13.959 1.00 61.32 O ATOM 579 CB LEU A 38 1.133 -6.413 14.530 1.00 3.33 C ATOM 580 CG LEU A 38 1.926 -5.214 15.085 1.00 20.34 C ATOM 581 CD1 LEU A 38 2.176 -4.164 14.011 1.00 72.52 C ATOM 582 CD2 LEU A 38 1.196 -4.597 16.276 1.00 72.20 C ATOM 0 H LEU A 38 0.941 -5.668 12.159 1.00 51.00 H new ATOM 0 HA LEU A 38 2.867 -7.207 13.500 1.00 14.31 H new ATOM 0 HB2 LEU A 38 0.157 -6.056 14.202 1.00 3.33 H new ATOM 0 HB3 LEU A 38 0.958 -7.115 15.345 1.00 3.33 H new ATOM 0 HG LEU A 38 2.896 -5.583 15.419 1.00 20.34 H new ATOM 0 HD11 LEU A 38 2.738 -3.333 14.438 1.00 72.52 H new ATOM 0 HD12 LEU A 38 2.747 -4.607 13.195 1.00 72.52 H new ATOM 0 HD13 LEU A 38 1.222 -3.799 13.630 1.00 72.52 H new ATOM 0 HD21 LEU A 38 1.769 -3.752 16.656 1.00 72.20 H new ATOM 0 HD22 LEU A 38 0.210 -4.255 15.961 1.00 72.20 H new ATOM 0 HD23 LEU A 38 1.086 -5.344 17.062 1.00 72.20 H new ATOM 594 N GLU A 39 0.142 -8.864 12.671 1.00 63.14 N ATOM 595 CA GLU A 39 -0.469 -10.199 12.642 1.00 4.54 C ATOM 596 C GLU A 39 0.446 -11.247 11.981 1.00 21.01 C ATOM 597 O GLU A 39 0.571 -12.367 12.477 1.00 44.01 O ATOM 598 CB GLU A 39 -1.827 -10.159 11.922 1.00 61.33 C ATOM 599 CG GLU A 39 -2.880 -9.308 12.631 1.00 51.43 C ATOM 600 CD GLU A 39 -4.260 -9.418 11.996 1.00 61.33 C ATOM 601 OE1 GLU A 39 -4.611 -8.565 11.154 1.00 5.42 O ATOM 602 OE2 GLU A 39 -5.007 -10.363 12.339 1.00 73.50 O1- ATOM 0 H GLU A 39 -0.362 -8.156 12.137 1.00 63.14 H new ATOM 0 HA GLU A 39 -0.619 -10.500 13.679 1.00 4.54 H new ATOM 0 HB2 GLU A 39 -1.681 -9.773 10.913 1.00 61.33 H new ATOM 0 HB3 GLU A 39 -2.204 -11.177 11.822 1.00 61.33 H new ATOM 0 HG2 GLU A 39 -2.942 -9.612 13.676 1.00 51.43 H new ATOM 0 HG3 GLU A 39 -2.563 -8.265 12.621 1.00 51.43 H new ATOM 609 N LYS A 40 1.089 -10.885 10.870 1.00 15.11 N ATOM 610 CA LYS A 40 1.984 -11.817 10.161 1.00 54.01 C ATOM 611 C LYS A 40 3.462 -11.588 10.523 1.00 63.44 C ATOM 612 O LYS A 40 4.297 -12.486 10.371 1.00 71.52 O ATOM 613 CB LYS A 40 1.795 -11.674 8.648 1.00 2.54 C ATOM 614 CG LYS A 40 0.372 -11.958 8.183 1.00 10.32 C ATOM 615 CD LYS A 40 0.234 -11.800 6.674 1.00 74.33 C ATOM 616 CE LYS A 40 -1.202 -12.006 6.207 1.00 33.31 C ATOM 617 NZ LYS A 40 -1.325 -11.848 4.734 1.00 1.42 N1+ ATOM 0 H LYS A 40 1.012 -9.963 10.440 1.00 15.11 H new ATOM 0 HA LYS A 40 1.719 -12.827 10.475 1.00 54.01 H new ATOM 0 HB2 LYS A 40 2.071 -10.663 8.349 1.00 2.54 H new ATOM 0 HB3 LYS A 40 2.478 -12.354 8.139 1.00 2.54 H new ATOM 0 HG2 LYS A 40 0.090 -12.971 8.471 1.00 10.32 H new ATOM 0 HG3 LYS A 40 -0.318 -11.280 8.685 1.00 10.32 H new ATOM 0 HD2 LYS A 40 0.571 -10.806 6.381 1.00 74.33 H new ATOM 0 HD3 LYS A 40 0.884 -12.517 6.173 1.00 74.33 H new ATOM 0 HE2 LYS A 40 -1.540 -13.001 6.497 1.00 33.31 H new ATOM 0 HE3 LYS A 40 -1.854 -11.290 6.706 1.00 33.31 H new ATOM 0 HZ1 LYS A 40 -2.315 -11.995 4.451 1.00 1.42 H new ATOM 0 HZ2 LYS A 40 -1.025 -10.890 4.461 1.00 1.42 H new ATOM 0 HZ3 LYS A 40 -0.721 -12.548 4.258 1.00 1.42 H new ATOM 631 N TYR A 41 3.774 -10.393 11.018 1.00 15.12 N ATOM 632 CA TYR A 41 5.144 -10.031 11.410 1.00 14.40 C ATOM 633 C TYR A 41 5.144 -9.285 12.755 1.00 31.32 C ATOM 634 O TYR A 41 5.158 -8.052 12.792 1.00 32.43 O ATOM 635 CB TYR A 41 5.813 -9.156 10.332 1.00 44.13 C ATOM 636 CG TYR A 41 6.065 -9.865 9.011 1.00 53.14 C ATOM 637 CD1 TYR A 41 7.243 -10.577 8.797 1.00 0.03 C ATOM 638 CD2 TYR A 41 5.132 -9.817 7.978 1.00 1.33 C ATOM 639 CE1 TYR A 41 7.481 -11.219 7.598 1.00 31.22 C ATOM 640 CE2 TYR A 41 5.365 -10.460 6.776 1.00 63.42 C ATOM 641 CZ TYR A 41 6.543 -11.158 6.590 1.00 64.53 C ATOM 642 OH TYR A 41 6.781 -11.801 5.393 1.00 44.22 O ATOM 0 H TYR A 41 3.092 -9.648 11.160 1.00 15.12 H new ATOM 0 HA TYR A 41 5.714 -10.954 11.515 1.00 14.40 H new ATOM 0 HB2 TYR A 41 5.185 -8.285 10.148 1.00 44.13 H new ATOM 0 HB3 TYR A 41 6.763 -8.788 10.719 1.00 44.13 H new ATOM 0 HD1 TYR A 41 7.983 -10.628 9.582 1.00 0.03 H new ATOM 0 HD2 TYR A 41 4.212 -9.269 8.118 1.00 1.33 H new ATOM 0 HE1 TYR A 41 8.400 -11.767 7.450 1.00 31.22 H new ATOM 0 HE2 TYR A 41 4.630 -10.417 5.986 1.00 63.42 H new ATOM 0 HH TYR A 41 6.021 -11.661 4.790 1.00 44.22 H new ATOM 652 N PRO A 42 5.092 -10.024 13.881 1.00 2.30 N ATOM 653 CA PRO A 42 5.117 -9.419 15.223 1.00 20.25 C ATOM 654 C PRO A 42 6.394 -8.602 15.476 1.00 1.24 C ATOM 655 O PRO A 42 7.496 -9.020 15.109 1.00 40.24 O ATOM 656 CB PRO A 42 5.052 -10.631 16.169 1.00 13.23 C ATOM 657 CG PRO A 42 4.486 -11.734 15.340 1.00 73.13 C ATOM 658 CD PRO A 42 4.995 -11.495 13.945 1.00 24.31 C ATOM 0 HA PRO A 42 4.299 -8.712 15.363 1.00 20.25 H new ATOM 0 HB2 PRO A 42 6.040 -10.889 16.549 1.00 13.23 H new ATOM 0 HB3 PRO A 42 4.422 -10.424 17.034 1.00 13.23 H new ATOM 0 HG2 PRO A 42 4.805 -12.707 15.712 1.00 73.13 H new ATOM 0 HG3 PRO A 42 3.396 -11.725 15.366 1.00 73.13 H new ATOM 0 HD2 PRO A 42 5.961 -11.972 13.780 1.00 24.31 H new ATOM 0 HD3 PRO A 42 4.312 -11.889 13.192 1.00 24.31 H new ATOM 666 N ILE A 43 6.241 -7.439 16.109 1.00 40.21 N ATOM 667 CA ILE A 43 7.379 -6.566 16.414 1.00 64.43 C ATOM 668 C ILE A 43 8.457 -7.317 17.215 1.00 42.11 C ATOM 669 O ILE A 43 8.148 -8.059 18.146 1.00 25.44 O ATOM 670 CB ILE A 43 6.921 -5.318 17.212 1.00 11.34 C ATOM 671 CG1 ILE A 43 5.778 -4.603 16.467 1.00 20.31 C ATOM 672 CG2 ILE A 43 8.092 -4.363 17.453 1.00 64.54 C ATOM 673 CD1 ILE A 43 5.188 -3.426 17.219 1.00 24.33 C ATOM 0 H ILE A 43 5.340 -7.078 16.422 1.00 40.21 H new ATOM 0 HA ILE A 43 7.805 -6.246 15.463 1.00 64.43 H new ATOM 0 HB ILE A 43 6.553 -5.646 18.184 1.00 11.34 H new ATOM 0 HG12 ILE A 43 6.149 -4.255 15.503 1.00 20.31 H new ATOM 0 HG13 ILE A 43 4.986 -5.323 16.262 1.00 20.31 H new ATOM 0 HG21 ILE A 43 7.745 -3.496 18.015 1.00 64.54 H new ATOM 0 HG22 ILE A 43 8.869 -4.876 18.021 1.00 64.54 H new ATOM 0 HG23 ILE A 43 8.498 -4.036 16.496 1.00 64.54 H new ATOM 0 HD11 ILE A 43 4.390 -2.979 16.626 1.00 24.33 H new ATOM 0 HD12 ILE A 43 4.784 -3.768 18.172 1.00 24.33 H new ATOM 0 HD13 ILE A 43 5.965 -2.684 17.400 1.00 24.33 H new ATOM 685 N THR A 44 9.718 -7.114 16.853 1.00 5.24 N ATOM 686 CA THR A 44 10.827 -7.823 17.500 1.00 10.13 C ATOM 687 C THR A 44 11.030 -7.313 18.937 1.00 0.13 C ATOM 688 O THR A 44 10.708 -6.165 19.243 1.00 54.11 O ATOM 689 CB THR A 44 12.128 -7.606 16.684 1.00 34.43 C ATOM 690 OG1 THR A 44 11.894 -7.905 15.301 1.00 21.31 O ATOM 691 CG2 THR A 44 13.276 -8.463 17.192 1.00 51.10 C ATOM 0 H THR A 44 10.003 -6.467 16.118 1.00 5.24 H new ATOM 0 HA THR A 44 10.588 -8.886 17.537 1.00 10.13 H new ATOM 0 HB THR A 44 12.411 -6.560 16.803 1.00 34.43 H new ATOM 0 HG1 THR A 44 12.719 -7.764 14.792 1.00 21.31 H new ATOM 0 HG21 THR A 44 14.164 -8.276 16.589 1.00 51.10 H new ATOM 0 HG22 THR A 44 13.484 -8.213 18.232 1.00 51.10 H new ATOM 0 HG23 THR A 44 13.004 -9.516 17.120 1.00 51.10 H new ATOM 699 N LYS A 45 11.609 -8.142 19.807 1.00 2.41 N ATOM 700 CA LYS A 45 11.720 -7.794 21.232 1.00 73.23 C ATOM 701 C LYS A 45 12.772 -6.702 21.478 1.00 12.22 C ATOM 702 O LYS A 45 12.513 -5.729 22.188 1.00 52.51 O ATOM 703 CB LYS A 45 12.026 -9.044 22.080 1.00 3.23 C ATOM 704 CG LYS A 45 10.797 -9.903 22.396 1.00 54.40 C ATOM 705 CD LYS A 45 10.202 -10.588 21.161 1.00 42.44 C ATOM 706 CE LYS A 45 10.868 -11.931 20.858 1.00 62.42 C ATOM 707 NZ LYS A 45 12.294 -11.792 20.464 1.00 11.42 N1+ ATOM 0 H LYS A 45 12.005 -9.049 19.559 1.00 2.41 H new ATOM 0 HA LYS A 45 10.755 -7.392 21.541 1.00 73.23 H new ATOM 0 HB2 LYS A 45 12.758 -9.656 21.554 1.00 3.23 H new ATOM 0 HB3 LYS A 45 12.487 -8.730 23.017 1.00 3.23 H new ATOM 0 HG2 LYS A 45 11.072 -10.663 23.127 1.00 54.40 H new ATOM 0 HG3 LYS A 45 10.034 -9.277 22.859 1.00 54.40 H new ATOM 0 HD2 LYS A 45 9.134 -10.742 21.314 1.00 42.44 H new ATOM 0 HD3 LYS A 45 10.308 -9.930 20.298 1.00 42.44 H new ATOM 0 HE2 LYS A 45 10.800 -12.572 21.737 1.00 62.42 H new ATOM 0 HE3 LYS A 45 10.322 -12.430 20.057 1.00 62.42 H new ATOM 0 HZ1 LYS A 45 12.589 -12.632 19.926 1.00 11.42 H new ATOM 0 HZ2 LYS A 45 12.410 -10.944 19.873 1.00 11.42 H new ATOM 0 HZ3 LYS A 45 12.883 -11.703 21.317 1.00 11.42 H new ATOM 721 N GLU A 46 13.948 -6.845 20.874 1.00 51.54 N ATOM 722 CA GLU A 46 14.973 -5.799 20.958 1.00 51.04 C ATOM 723 C GLU A 46 14.525 -4.529 20.213 1.00 62.12 C ATOM 724 O GLU A 46 14.813 -3.409 20.637 1.00 40.11 O ATOM 725 CB GLU A 46 16.316 -6.302 20.399 1.00 64.20 C ATOM 726 CG GLU A 46 17.048 -7.302 21.299 1.00 54.41 C ATOM 727 CD GLU A 46 16.375 -8.665 21.372 1.00 55.05 C ATOM 728 OE1 GLU A 46 16.535 -9.459 20.422 1.00 44.54 O ATOM 729 OE2 GLU A 46 15.699 -8.958 22.379 1.00 25.41 O1- ATOM 0 H GLU A 46 14.217 -7.663 20.327 1.00 51.54 H new ATOM 0 HA GLU A 46 15.109 -5.549 22.010 1.00 51.04 H new ATOM 0 HB2 GLU A 46 16.139 -6.768 19.430 1.00 64.20 H new ATOM 0 HB3 GLU A 46 16.967 -5.445 20.227 1.00 64.20 H new ATOM 0 HG2 GLU A 46 18.067 -7.429 20.933 1.00 54.41 H new ATOM 0 HG3 GLU A 46 17.120 -6.888 22.305 1.00 54.41 H new ATOM 736 N ALA A 47 13.804 -4.716 19.107 1.00 2.43 N ATOM 737 CA ALA A 47 13.291 -3.596 18.308 1.00 72.41 C ATOM 738 C ALA A 47 12.183 -2.826 19.045 1.00 75.21 C ATOM 739 O ALA A 47 12.077 -1.608 18.917 1.00 20.53 O ATOM 740 CB ALA A 47 12.787 -4.097 16.959 1.00 34.50 C ATOM 0 H ALA A 47 13.560 -5.636 18.740 1.00 2.43 H new ATOM 0 HA ALA A 47 14.116 -2.902 18.145 1.00 72.41 H new ATOM 0 HB1 ALA A 47 12.409 -3.257 16.377 1.00 34.50 H new ATOM 0 HB2 ALA A 47 13.605 -4.574 16.419 1.00 34.50 H new ATOM 0 HB3 ALA A 47 11.986 -4.819 17.115 1.00 34.50 H new ATOM 746 N LEU A 48 11.373 -3.539 19.829 1.00 22.21 N ATOM 747 CA LEU A 48 10.256 -2.922 20.559 1.00 23.22 C ATOM 748 C LEU A 48 10.762 -1.815 21.498 1.00 44.35 C ATOM 749 O LEU A 48 10.187 -0.724 21.569 1.00 75.31 O ATOM 750 CB LEU A 48 9.512 -3.992 21.374 1.00 35.44 C ATOM 751 CG LEU A 48 8.232 -3.518 22.082 1.00 54.44 C ATOM 752 CD1 LEU A 48 7.128 -3.234 21.067 1.00 44.42 C ATOM 753 CD2 LEU A 48 7.771 -4.545 23.114 1.00 44.15 C ATOM 0 H LEU A 48 11.467 -4.544 19.977 1.00 22.21 H new ATOM 0 HA LEU A 48 9.575 -2.477 19.834 1.00 23.22 H new ATOM 0 HB2 LEU A 48 9.254 -4.816 20.708 1.00 35.44 H new ATOM 0 HB3 LEU A 48 10.194 -4.391 22.125 1.00 35.44 H new ATOM 0 HG LEU A 48 8.457 -2.590 22.607 1.00 54.44 H new ATOM 0 HD11 LEU A 48 6.231 -2.900 21.589 1.00 44.42 H new ATOM 0 HD12 LEU A 48 7.458 -2.456 20.378 1.00 44.42 H new ATOM 0 HD13 LEU A 48 6.905 -4.143 20.508 1.00 44.42 H new ATOM 0 HD21 LEU A 48 6.864 -4.188 23.602 1.00 44.15 H new ATOM 0 HD22 LEU A 48 7.567 -5.494 22.617 1.00 44.15 H new ATOM 0 HD23 LEU A 48 8.553 -4.687 23.860 1.00 44.15 H new ATOM 765 N GLU A 49 11.831 -2.118 22.228 1.00 14.34 N ATOM 766 CA GLU A 49 12.517 -1.128 23.063 1.00 70.52 C ATOM 767 C GLU A 49 13.330 -0.123 22.225 1.00 51.23 C ATOM 768 O GLU A 49 13.268 1.086 22.456 1.00 12.14 O ATOM 769 CB GLU A 49 13.425 -1.838 24.078 1.00 5.22 C ATOM 770 CG GLU A 49 12.658 -2.558 25.183 1.00 34.21 C ATOM 771 CD GLU A 49 11.826 -1.598 26.023 1.00 52.32 C ATOM 772 OE1 GLU A 49 10.607 -1.470 25.774 1.00 5.23 O ATOM 773 OE2 GLU A 49 12.398 -0.939 26.917 1.00 42.43 O1- ATOM 0 H GLU A 49 12.247 -3.049 22.260 1.00 14.34 H new ATOM 0 HA GLU A 49 11.754 -0.559 23.594 1.00 70.52 H new ATOM 0 HB2 GLU A 49 14.050 -2.559 23.552 1.00 5.22 H new ATOM 0 HB3 GLU A 49 14.094 -1.105 24.529 1.00 5.22 H new ATOM 0 HG2 GLU A 49 12.005 -3.310 24.740 1.00 34.21 H new ATOM 0 HG3 GLU A 49 13.361 -3.086 25.827 1.00 34.21 H new ATOM 780 N GLU A 50 14.088 -0.634 21.253 1.00 52.44 N ATOM 781 CA GLU A 50 15.004 0.194 20.449 1.00 3.12 C ATOM 782 C GLU A 50 14.270 1.328 19.706 1.00 12.13 C ATOM 783 O GLU A 50 14.613 2.504 19.845 1.00 35.14 O ATOM 784 CB GLU A 50 15.752 -0.695 19.440 1.00 32.22 C ATOM 785 CG GLU A 50 16.814 0.032 18.620 1.00 63.41 C ATOM 786 CD GLU A 50 17.964 0.549 19.470 1.00 50.40 C ATOM 787 OE1 GLU A 50 18.791 -0.274 19.922 1.00 73.25 O ATOM 788 OE2 GLU A 50 18.055 1.777 19.677 1.00 74.41 O1- ATOM 0 H GLU A 50 14.089 -1.622 20.999 1.00 52.44 H new ATOM 0 HA GLU A 50 15.712 0.661 21.134 1.00 3.12 H new ATOM 0 HB2 GLU A 50 16.226 -1.515 19.979 1.00 32.22 H new ATOM 0 HB3 GLU A 50 15.026 -1.139 18.759 1.00 32.22 H new ATOM 0 HG2 GLU A 50 17.205 -0.644 17.860 1.00 63.41 H new ATOM 0 HG3 GLU A 50 16.352 0.868 18.095 1.00 63.41 H new ATOM 795 N THR A 51 13.250 0.973 18.930 1.00 40.10 N ATOM 796 CA THR A 51 12.487 1.960 18.150 1.00 21.30 C ATOM 797 C THR A 51 11.200 2.387 18.874 1.00 54.11 C ATOM 798 O THR A 51 10.369 3.103 18.314 1.00 42.32 O ATOM 799 CB THR A 51 12.139 1.424 16.739 1.00 20.42 C ATOM 800 OG1 THR A 51 11.439 0.177 16.838 1.00 10.42 O ATOM 801 CG2 THR A 51 13.398 1.236 15.895 1.00 73.00 C ATOM 0 H THR A 51 12.928 0.011 18.820 1.00 40.10 H new ATOM 0 HA THR A 51 13.130 2.834 18.043 1.00 21.30 H new ATOM 0 HB THR A 51 11.500 2.161 16.252 1.00 20.42 H new ATOM 0 HG1 THR A 51 11.869 -0.387 17.514 1.00 10.42 H new ATOM 0 HG21 THR A 51 13.123 0.859 14.910 1.00 73.00 H new ATOM 0 HG22 THR A 51 13.910 2.192 15.787 1.00 73.00 H new ATOM 0 HG23 THR A 51 14.061 0.523 16.384 1.00 73.00 H new ATOM 809 N ARG A 52 11.052 1.930 20.120 1.00 53.01 N ATOM 810 CA ARG A 52 9.986 2.384 21.029 1.00 64.04 C ATOM 811 C ARG A 52 8.563 2.146 20.493 1.00 71.23 C ATOM 812 O ARG A 52 7.652 2.942 20.735 1.00 44.32 O ATOM 813 CB ARG A 52 10.201 3.860 21.385 1.00 45.40 C ATOM 814 CG ARG A 52 11.501 4.091 22.149 1.00 53.30 C ATOM 815 CD ARG A 52 11.701 5.550 22.536 1.00 75.51 C ATOM 816 NE ARG A 52 12.906 5.727 23.343 1.00 32.02 N ATOM 817 CZ ARG A 52 13.413 6.883 23.663 1.00 12.43 C ATOM 818 NH1 ARG A 52 12.824 7.981 23.321 1.00 32.42 N1+ ATOM 819 NH2 ARG A 52 14.505 6.939 24.347 1.00 15.12 N ATOM 0 H ARG A 52 11.669 1.231 20.533 1.00 53.01 H new ATOM 0 HA ARG A 52 10.060 1.772 21.928 1.00 64.04 H new ATOM 0 HB2 ARG A 52 10.210 4.454 20.471 1.00 45.40 H new ATOM 0 HB3 ARG A 52 9.362 4.212 21.986 1.00 45.40 H new ATOM 0 HG2 ARG A 52 11.503 3.477 23.049 1.00 53.30 H new ATOM 0 HG3 ARG A 52 12.341 3.763 21.537 1.00 53.30 H new ATOM 0 HD2 ARG A 52 11.771 6.160 21.636 1.00 75.51 H new ATOM 0 HD3 ARG A 52 10.833 5.903 23.093 1.00 75.51 H new ATOM 0 HE ARG A 52 13.382 4.889 23.678 1.00 32.02 H new ATOM 0 HH11 ARG A 52 11.951 7.949 22.794 1.00 32.42 H new ATOM 0 HH12 ARG A 52 13.232 8.880 23.578 1.00 32.42 H new ATOM 0 HH21 ARG A 52 14.970 6.079 24.636 1.00 15.12 H new ATOM 0 HH22 ARG A 52 14.903 7.844 24.598 1.00 15.12 H new ATOM 833 N LEU A 53 8.363 1.021 19.811 1.00 74.31 N ATOM 834 CA LEU A 53 7.017 0.601 19.386 1.00 3.01 C ATOM 835 C LEU A 53 6.154 0.175 20.589 1.00 0.40 C ATOM 836 O LEU A 53 4.962 -0.099 20.444 1.00 10.32 O ATOM 837 CB LEU A 53 7.100 -0.538 18.352 1.00 64.22 C ATOM 838 CG LEU A 53 7.239 -0.096 16.881 1.00 63.30 C ATOM 839 CD1 LEU A 53 5.989 0.652 16.422 1.00 62.24 C ATOM 840 CD2 LEU A 53 8.481 0.767 16.685 1.00 71.54 C ATOM 0 H LEU A 53 9.109 0.381 19.538 1.00 74.31 H new ATOM 0 HA LEU A 53 6.537 1.460 18.918 1.00 3.01 H new ATOM 0 HB2 LEU A 53 7.950 -1.172 18.604 1.00 64.22 H new ATOM 0 HB3 LEU A 53 6.205 -1.154 18.444 1.00 64.22 H new ATOM 0 HG LEU A 53 7.349 -0.992 16.270 1.00 63.30 H new ATOM 0 HD11 LEU A 53 6.108 0.955 15.382 1.00 62.24 H new ATOM 0 HD12 LEU A 53 5.121 -0.000 16.513 1.00 62.24 H new ATOM 0 HD13 LEU A 53 5.845 1.536 17.043 1.00 62.24 H new ATOM 0 HD21 LEU A 53 8.556 1.065 15.639 1.00 71.54 H new ATOM 0 HD22 LEU A 53 8.409 1.656 17.312 1.00 71.54 H new ATOM 0 HD23 LEU A 53 9.368 0.197 16.964 1.00 71.54 H new ATOM 852 N GLY A 54 6.760 0.134 21.776 1.00 14.01 N ATOM 853 CA GLY A 54 6.020 -0.157 23.002 1.00 2.11 C ATOM 854 C GLY A 54 4.883 0.834 23.252 1.00 52.53 C ATOM 855 O GLY A 54 3.862 0.490 23.852 1.00 3.41 O ATOM 0 H GLY A 54 7.757 0.298 21.913 1.00 14.01 H new ATOM 0 HA2 GLY A 54 5.612 -1.166 22.945 1.00 2.11 H new ATOM 0 HA3 GLY A 54 6.706 -0.139 23.849 1.00 2.11 H new ATOM 859 N LYS A 55 5.071 2.074 22.796 1.00 21.12 N ATOM 860 CA LYS A 55 4.041 3.116 22.902 1.00 3.32 C ATOM 861 C LYS A 55 2.732 2.679 22.211 1.00 41.35 C ATOM 862 O LYS A 55 1.636 3.034 22.650 1.00 61.02 O ATOM 863 CB LYS A 55 4.559 4.425 22.281 1.00 72.43 C ATOM 864 CG LYS A 55 3.637 5.627 22.487 1.00 22.04 C ATOM 865 CD LYS A 55 3.485 5.982 23.966 1.00 23.11 C ATOM 866 CE LYS A 55 4.816 6.388 24.593 1.00 71.41 C ATOM 867 NZ LYS A 55 4.699 6.602 26.058 1.00 15.50 N1+ ATOM 0 H LYS A 55 5.932 2.385 22.346 1.00 21.12 H new ATOM 0 HA LYS A 55 3.824 3.278 23.958 1.00 3.32 H new ATOM 0 HB2 LYS A 55 5.536 4.654 22.707 1.00 72.43 H new ATOM 0 HB3 LYS A 55 4.705 4.273 21.212 1.00 72.43 H new ATOM 0 HG2 LYS A 55 4.034 6.486 21.946 1.00 22.04 H new ATOM 0 HG3 LYS A 55 2.657 5.409 22.063 1.00 22.04 H new ATOM 0 HD2 LYS A 55 2.770 6.798 24.072 1.00 23.11 H new ATOM 0 HD3 LYS A 55 3.076 5.127 24.504 1.00 23.11 H new ATOM 0 HE2 LYS A 55 5.559 5.615 24.398 1.00 71.41 H new ATOM 0 HE3 LYS A 55 5.175 7.302 24.121 1.00 71.41 H new ATOM 0 HZ1 LYS A 55 5.625 6.876 26.444 1.00 15.50 H new ATOM 0 HZ2 LYS A 55 4.009 7.357 26.244 1.00 15.50 H new ATOM 0 HZ3 LYS A 55 4.381 5.723 26.513 1.00 15.50 H new ATOM 881 N LEU A 56 2.862 1.898 21.134 1.00 70.51 N ATOM 882 CA LEU A 56 1.703 1.387 20.381 1.00 24.05 C ATOM 883 C LEU A 56 0.747 0.611 21.306 1.00 11.11 C ATOM 884 O LEU A 56 -0.473 0.685 21.154 1.00 3.35 O ATOM 885 CB LEU A 56 2.202 0.488 19.224 1.00 54.04 C ATOM 886 CG LEU A 56 1.147 0.000 18.199 1.00 25.35 C ATOM 887 CD1 LEU A 56 1.830 -0.443 16.905 1.00 11.44 C ATOM 888 CD2 LEU A 56 0.312 -1.159 18.751 1.00 2.12 C ATOM 0 H LEU A 56 3.763 1.602 20.759 1.00 70.51 H new ATOM 0 HA LEU A 56 1.147 2.228 19.966 1.00 24.05 H new ATOM 0 HB2 LEU A 56 2.973 1.034 18.681 1.00 54.04 H new ATOM 0 HB3 LEU A 56 2.680 -0.389 19.660 1.00 54.04 H new ATOM 0 HG LEU A 56 0.480 0.838 17.998 1.00 25.35 H new ATOM 0 HD11 LEU A 56 1.077 -0.783 16.194 1.00 11.44 H new ATOM 0 HD12 LEU A 56 2.379 0.396 16.478 1.00 11.44 H new ATOM 0 HD13 LEU A 56 2.521 -1.258 17.119 1.00 11.44 H new ATOM 0 HD21 LEU A 56 -0.416 -1.472 18.002 1.00 2.12 H new ATOM 0 HD22 LEU A 56 0.967 -1.996 18.993 1.00 2.12 H new ATOM 0 HD23 LEU A 56 -0.210 -0.835 19.651 1.00 2.12 H new ATOM 900 N ILE A 57 1.310 -0.106 22.281 1.00 62.12 N ATOM 901 CA ILE A 57 0.513 -0.898 23.232 1.00 42.25 C ATOM 902 C ILE A 57 -0.480 -0.014 24.007 1.00 23.45 C ATOM 903 O ILE A 57 -1.616 -0.418 24.278 1.00 45.24 O ATOM 904 CB ILE A 57 1.431 -1.646 24.236 1.00 2.12 C ATOM 905 CG1 ILE A 57 2.348 -2.633 23.489 1.00 41.50 C ATOM 906 CG2 ILE A 57 0.604 -2.370 25.300 1.00 71.51 C ATOM 907 CD1 ILE A 57 3.308 -3.385 24.390 1.00 64.41 C ATOM 0 H ILE A 57 2.317 -0.157 22.436 1.00 62.12 H new ATOM 0 HA ILE A 57 -0.050 -1.627 22.649 1.00 42.25 H new ATOM 0 HB ILE A 57 2.055 -0.911 24.743 1.00 2.12 H new ATOM 0 HG12 ILE A 57 1.730 -3.353 22.953 1.00 41.50 H new ATOM 0 HG13 ILE A 57 2.921 -2.085 22.741 1.00 41.50 H new ATOM 0 HG21 ILE A 57 1.271 -2.886 25.991 1.00 71.51 H new ATOM 0 HG22 ILE A 57 0.003 -1.645 25.849 1.00 71.51 H new ATOM 0 HG23 ILE A 57 -0.052 -3.096 24.819 1.00 71.51 H new ATOM 0 HD11 ILE A 57 3.918 -4.059 23.789 1.00 64.41 H new ATOM 0 HD12 ILE A 57 3.953 -2.675 24.907 1.00 64.41 H new ATOM 0 HD13 ILE A 57 2.743 -3.962 25.122 1.00 64.41 H new ATOM 919 N ASN A 58 -0.048 1.197 24.344 1.00 4.31 N ATOM 920 CA ASN A 58 -0.892 2.153 25.061 1.00 34.31 C ATOM 921 C ASN A 58 -2.133 2.544 24.238 1.00 63.21 C ATOM 922 O ASN A 58 -3.259 2.511 24.741 1.00 72.53 O ATOM 923 CB ASN A 58 -0.071 3.401 25.409 1.00 63.05 C ATOM 924 CG ASN A 58 -0.896 4.482 26.084 1.00 51.31 C ATOM 925 OD1 ASN A 58 -1.039 4.504 27.303 1.00 52.40 O ATOM 926 ND2 ASN A 58 -1.447 5.388 25.301 1.00 11.42 N ATOM 0 H ASN A 58 0.888 1.543 24.131 1.00 4.31 H new ATOM 0 HA ASN A 58 -1.243 1.678 25.977 1.00 34.31 H new ATOM 0 HB2 ASN A 58 0.752 3.117 26.064 1.00 63.05 H new ATOM 0 HB3 ASN A 58 0.371 3.804 24.498 1.00 63.05 H new ATOM 0 HD21 ASN A 58 -2.012 6.136 25.705 1.00 11.42 H new ATOM 0 HD22 ASN A 58 -1.309 5.342 24.291 1.00 11.42 H new ATOM 933 N ASP A 59 -1.919 2.908 22.974 1.00 22.34 N ATOM 934 CA ASP A 59 -3.010 3.374 22.110 1.00 70.35 C ATOM 935 C ASP A 59 -3.963 2.226 21.723 1.00 51.03 C ATOM 936 O ASP A 59 -5.181 2.364 21.821 1.00 12.12 O ATOM 937 CB ASP A 59 -2.430 4.022 20.844 1.00 51.13 C ATOM 938 CG ASP A 59 -3.493 4.706 19.995 1.00 61.10 C ATOM 939 OD1 ASP A 59 -4.163 4.016 19.203 1.00 73.23 O ATOM 940 OD2 ASP A 59 -3.654 5.938 20.125 1.00 42.44 O1- ATOM 0 H ASP A 59 -1.004 2.890 22.524 1.00 22.34 H new ATOM 0 HA ASP A 59 -3.588 4.110 22.669 1.00 70.35 H new ATOM 0 HB2 ASP A 59 -1.673 4.752 21.129 1.00 51.13 H new ATOM 0 HB3 ASP A 59 -1.929 3.260 20.247 1.00 51.13 H new ATOM 945 N VAL A 60 -3.403 1.076 21.340 1.00 53.53 N ATOM 946 CA VAL A 60 -4.216 -0.050 20.855 1.00 53.30 C ATOM 947 C VAL A 60 -5.142 -0.613 21.948 1.00 14.24 C ATOM 948 O VAL A 60 -6.262 -1.029 21.668 1.00 72.32 O ATOM 949 CB VAL A 60 -3.334 -1.196 20.281 1.00 3.11 C ATOM 950 CG1 VAL A 60 -2.470 -1.832 21.370 1.00 53.22 C ATOM 951 CG2 VAL A 60 -4.198 -2.248 19.580 1.00 35.44 C ATOM 0 H VAL A 60 -2.399 0.897 21.355 1.00 53.53 H new ATOM 0 HA VAL A 60 -4.835 0.353 20.053 1.00 53.30 H new ATOM 0 HB VAL A 60 -2.662 -0.761 19.541 1.00 3.11 H new ATOM 0 HG11 VAL A 60 -1.866 -2.629 20.936 1.00 53.22 H new ATOM 0 HG12 VAL A 60 -1.816 -1.076 21.803 1.00 53.22 H new ATOM 0 HG13 VAL A 60 -3.111 -2.246 22.148 1.00 53.22 H new ATOM 0 HG21 VAL A 60 -3.560 -3.039 19.187 1.00 35.44 H new ATOM 0 HG22 VAL A 60 -4.905 -2.672 20.293 1.00 35.44 H new ATOM 0 HG23 VAL A 60 -4.745 -1.782 18.761 1.00 35.44 H new ATOM 961 N ARG A 61 -4.672 -0.634 23.194 1.00 51.22 N ATOM 962 CA ARG A 61 -5.479 -1.153 24.305 1.00 52.23 C ATOM 963 C ARG A 61 -6.659 -0.216 24.619 1.00 64.44 C ATOM 964 O ARG A 61 -7.787 -0.660 24.819 1.00 2.34 O ATOM 965 CB ARG A 61 -4.595 -1.350 25.554 1.00 14.51 C ATOM 966 CG ARG A 61 -5.198 -2.257 26.644 1.00 25.34 C ATOM 967 CD ARG A 61 -5.801 -1.479 27.823 1.00 74.41 C ATOM 968 NE ARG A 61 -7.066 -0.822 27.491 1.00 23.41 N ATOM 969 CZ ARG A 61 -8.243 -1.260 27.862 1.00 73.35 C ATOM 970 NH1 ARG A 61 -8.354 -2.343 28.563 1.00 52.12 N1+ ATOM 971 NH2 ARG A 61 -9.310 -0.607 27.537 1.00 3.34 N ATOM 0 H ARG A 61 -3.746 -0.302 23.462 1.00 51.22 H new ATOM 0 HA ARG A 61 -5.891 -2.118 24.008 1.00 52.23 H new ATOM 0 HB2 ARG A 61 -3.639 -1.770 25.241 1.00 14.51 H new ATOM 0 HB3 ARG A 61 -4.386 -0.373 25.990 1.00 14.51 H new ATOM 0 HG2 ARG A 61 -5.971 -2.883 26.198 1.00 25.34 H new ATOM 0 HG3 ARG A 61 -4.423 -2.926 27.019 1.00 25.34 H new ATOM 0 HD2 ARG A 61 -5.961 -2.162 28.657 1.00 74.41 H new ATOM 0 HD3 ARG A 61 -5.086 -0.728 28.159 1.00 74.41 H new ATOM 0 HE ARG A 61 -7.028 0.032 26.935 1.00 23.41 H new ATOM 0 HH11 ARG A 61 -7.519 -2.864 28.832 1.00 52.12 H new ATOM 0 HH12 ARG A 61 -9.276 -2.675 28.846 1.00 52.12 H new ATOM 0 HH21 ARG A 61 -9.236 0.251 26.991 1.00 3.34 H new ATOM 0 HH22 ARG A 61 -10.226 -0.950 27.827 1.00 3.34 H new ATOM 985 N LYS A 62 -6.386 1.086 24.663 1.00 5.20 N ATOM 986 CA LYS A 62 -7.375 2.074 25.120 1.00 12.22 C ATOM 987 C LYS A 62 -8.285 2.589 23.984 1.00 73.44 C ATOM 988 O LYS A 62 -9.474 2.842 24.196 1.00 71.32 O ATOM 989 CB LYS A 62 -6.637 3.248 25.784 1.00 25.32 C ATOM 990 CG LYS A 62 -5.721 2.814 26.931 1.00 64.12 C ATOM 991 CD LYS A 62 -4.873 3.967 27.468 1.00 33.14 C ATOM 992 CE LYS A 62 -3.918 3.495 28.565 1.00 2.44 C ATOM 993 NZ LYS A 62 -3.072 4.598 29.095 1.00 4.25 N1+ ATOM 0 H LYS A 62 -5.489 1.487 24.389 1.00 5.20 H new ATOM 0 HA LYS A 62 -8.031 1.579 25.836 1.00 12.22 H new ATOM 0 HB2 LYS A 62 -6.044 3.768 25.032 1.00 25.32 H new ATOM 0 HB3 LYS A 62 -7.369 3.961 26.162 1.00 25.32 H new ATOM 0 HG2 LYS A 62 -6.326 2.404 27.740 1.00 64.12 H new ATOM 0 HG3 LYS A 62 -5.065 2.014 26.586 1.00 64.12 H new ATOM 0 HD2 LYS A 62 -4.302 4.411 26.653 1.00 33.14 H new ATOM 0 HD3 LYS A 62 -5.525 4.747 27.862 1.00 33.14 H new ATOM 0 HE2 LYS A 62 -4.494 3.059 29.381 1.00 2.44 H new ATOM 0 HE3 LYS A 62 -3.277 2.707 28.170 1.00 2.44 H new ATOM 0 HZ1 LYS A 62 -2.897 4.445 30.109 1.00 4.25 H new ATOM 0 HZ2 LYS A 62 -2.165 4.615 28.586 1.00 4.25 H new ATOM 0 HZ3 LYS A 62 -3.561 5.506 28.961 1.00 4.25 H new ATOM 1007 N LYS A 63 -7.727 2.734 22.784 1.00 31.04 N ATOM 1008 CA LYS A 63 -8.446 3.334 21.645 1.00 1.12 C ATOM 1009 C LYS A 63 -8.861 2.299 20.582 1.00 25.35 C ATOM 1010 O LYS A 63 -9.204 2.666 19.458 1.00 14.22 O ATOM 1011 CB LYS A 63 -7.596 4.442 21.005 1.00 50.33 C ATOM 1012 CG LYS A 63 -7.165 5.524 21.995 1.00 42.15 C ATOM 1013 CD LYS A 63 -6.731 6.812 21.302 1.00 11.31 C ATOM 1014 CE LYS A 63 -7.881 7.448 20.528 1.00 62.25 C ATOM 1015 NZ LYS A 63 -7.534 8.799 20.022 1.00 14.13 N1+ ATOM 0 H LYS A 63 -6.773 2.444 22.567 1.00 31.04 H new ATOM 0 HA LYS A 63 -9.366 3.760 22.044 1.00 1.12 H new ATOM 0 HB2 LYS A 63 -6.708 3.996 20.557 1.00 50.33 H new ATOM 0 HB3 LYS A 63 -8.163 4.904 20.197 1.00 50.33 H new ATOM 0 HG2 LYS A 63 -7.990 5.741 22.673 1.00 42.15 H new ATOM 0 HG3 LYS A 63 -6.343 5.148 22.604 1.00 42.15 H new ATOM 0 HD2 LYS A 63 -6.357 7.517 22.044 1.00 11.31 H new ATOM 0 HD3 LYS A 63 -5.907 6.600 20.621 1.00 11.31 H new ATOM 0 HE2 LYS A 63 -8.152 6.806 19.690 1.00 62.25 H new ATOM 0 HE3 LYS A 63 -8.757 7.517 21.173 1.00 62.25 H new ATOM 0 HZ1 LYS A 63 -8.112 9.512 20.511 1.00 14.13 H new ATOM 0 HZ2 LYS A 63 -6.527 8.989 20.201 1.00 14.13 H new ATOM 0 HZ3 LYS A 63 -7.719 8.845 19.000 1.00 14.13 H new ATOM 1029 N THR A 64 -8.866 1.017 20.944 1.00 4.42 N ATOM 1030 CA THR A 64 -9.107 -0.065 19.969 1.00 71.04 C ATOM 1031 C THR A 64 -10.486 0.018 19.296 1.00 53.33 C ATOM 1032 O THR A 64 -11.450 0.541 19.863 1.00 73.22 O ATOM 1033 CB THR A 64 -8.990 -1.463 20.623 1.00 43.54 C ATOM 1034 OG1 THR A 64 -9.322 -2.484 19.667 1.00 32.25 O ATOM 1035 CG2 THR A 64 -9.900 -1.590 21.845 1.00 11.14 C ATOM 0 H THR A 64 -8.708 0.695 21.899 1.00 4.42 H new ATOM 0 HA THR A 64 -8.334 0.071 19.212 1.00 71.04 H new ATOM 0 HB THR A 64 -7.959 -1.589 20.953 1.00 43.54 H new ATOM 0 HG1 THR A 64 -8.707 -2.431 18.905 1.00 32.25 H new ATOM 0 HG21 THR A 64 -9.791 -2.584 22.278 1.00 11.14 H new ATOM 0 HG22 THR A 64 -9.622 -0.840 22.585 1.00 11.14 H new ATOM 0 HG23 THR A 64 -10.936 -1.437 21.544 1.00 11.14 H new ATOM 1043 N LYS A 65 -10.554 -0.521 18.077 1.00 53.41 N ATOM 1044 CA LYS A 65 -11.785 -0.553 17.277 1.00 64.35 C ATOM 1045 C LYS A 65 -12.939 -1.232 18.036 1.00 33.32 C ATOM 1046 O LYS A 65 -14.049 -0.696 18.125 1.00 33.23 O ATOM 1047 CB LYS A 65 -11.503 -1.297 15.959 1.00 13.44 C ATOM 1048 CG LYS A 65 -12.706 -1.428 15.027 1.00 3.11 C ATOM 1049 CD LYS A 65 -12.354 -2.216 13.761 1.00 43.41 C ATOM 1050 CE LYS A 65 -13.549 -2.362 12.824 1.00 50.54 C ATOM 1051 NZ LYS A 65 -13.231 -3.202 11.638 1.00 24.32 N1+ ATOM 0 H LYS A 65 -9.754 -0.950 17.613 1.00 53.41 H new ATOM 0 HA LYS A 65 -12.093 0.472 17.071 1.00 64.35 H new ATOM 0 HB2 LYS A 65 -10.705 -0.777 15.428 1.00 13.44 H new ATOM 0 HB3 LYS A 65 -11.133 -2.295 16.194 1.00 13.44 H new ATOM 0 HG2 LYS A 65 -13.521 -1.926 15.552 1.00 3.11 H new ATOM 0 HG3 LYS A 65 -13.063 -0.436 14.751 1.00 3.11 H new ATOM 0 HD2 LYS A 65 -11.542 -1.713 13.236 1.00 43.41 H new ATOM 0 HD3 LYS A 65 -11.990 -3.205 14.040 1.00 43.41 H new ATOM 0 HE2 LYS A 65 -14.384 -2.805 13.368 1.00 50.54 H new ATOM 0 HE3 LYS A 65 -13.872 -1.375 12.493 1.00 50.54 H new ATOM 0 HZ1 LYS A 65 -14.071 -3.274 11.029 1.00 24.32 H new ATOM 0 HZ2 LYS A 65 -12.452 -2.767 11.104 1.00 24.32 H new ATOM 0 HZ3 LYS A 65 -12.948 -4.152 11.952 1.00 24.32 H new ATOM 1065 N ASN A 66 -12.667 -2.421 18.569 1.00 61.13 N ATOM 1066 CA ASN A 66 -13.649 -3.180 19.353 1.00 4.42 C ATOM 1067 C ASN A 66 -13.085 -3.546 20.736 1.00 43.50 C ATOM 1068 O ASN A 66 -11.947 -4.003 20.851 1.00 63.50 O ATOM 1069 CB ASN A 66 -14.065 -4.447 18.590 1.00 3.10 C ATOM 1070 CG ASN A 66 -15.011 -5.334 19.385 1.00 4.20 C ATOM 1071 OD1 ASN A 66 -15.728 -4.875 20.266 1.00 71.24 O ATOM 1072 ND2 ASN A 66 -15.019 -6.613 19.082 1.00 45.03 N ATOM 0 H ASN A 66 -11.765 -2.887 18.473 1.00 61.13 H new ATOM 0 HA ASN A 66 -14.528 -2.553 19.504 1.00 4.42 H new ATOM 0 HB2 ASN A 66 -14.545 -4.160 17.654 1.00 3.10 H new ATOM 0 HB3 ASN A 66 -13.173 -5.017 18.330 1.00 3.10 H new ATOM 0 HD21 ASN A 66 -15.634 -7.253 19.586 1.00 45.03 H new ATOM 0 HD22 ASN A 66 -14.411 -6.966 18.343 1.00 45.03 H new ATOM 1079 N GLU A 67 -13.894 -3.358 21.777 1.00 53.44 N ATOM 1080 CA GLU A 67 -13.476 -3.650 23.156 1.00 23.40 C ATOM 1081 C GLU A 67 -13.061 -5.120 23.333 1.00 31.21 C ATOM 1082 O GLU A 67 -12.180 -5.432 24.131 1.00 51.01 O ATOM 1083 CB GLU A 67 -14.607 -3.313 24.136 1.00 54.32 C ATOM 1084 CG GLU A 67 -14.955 -1.829 24.194 1.00 3.31 C ATOM 1085 CD GLU A 67 -16.102 -1.537 25.150 1.00 74.11 C ATOM 1086 OE1 GLU A 67 -17.245 -1.358 24.680 1.00 74.20 O ATOM 1087 OE2 GLU A 67 -15.867 -1.507 26.378 1.00 2.32 O1- ATOM 0 H GLU A 67 -14.847 -3.004 21.696 1.00 53.44 H new ATOM 0 HA GLU A 67 -12.607 -3.028 23.369 1.00 23.40 H new ATOM 0 HB2 GLU A 67 -15.498 -3.874 23.854 1.00 54.32 H new ATOM 0 HB3 GLU A 67 -14.322 -3.648 25.133 1.00 54.32 H new ATOM 0 HG2 GLU A 67 -14.075 -1.265 24.504 1.00 3.31 H new ATOM 0 HG3 GLU A 67 -15.221 -1.482 23.196 1.00 3.31 H new ATOM 1094 N GLU A 68 -13.705 -6.020 22.594 1.00 52.44 N ATOM 1095 CA GLU A 68 -13.374 -7.450 22.655 1.00 33.35 C ATOM 1096 C GLU A 68 -11.989 -7.728 22.051 1.00 24.42 C ATOM 1097 O GLU A 68 -11.271 -8.627 22.494 1.00 74.13 O ATOM 1098 CB GLU A 68 -14.453 -8.268 21.935 1.00 33.12 C ATOM 1099 CG GLU A 68 -15.860 -8.030 22.481 1.00 4.24 C ATOM 1100 CD GLU A 68 -15.987 -8.372 23.960 1.00 2.22 C ATOM 1101 OE1 GLU A 68 -16.451 -9.488 24.281 1.00 11.45 O ATOM 1102 OE2 GLU A 68 -15.624 -7.527 24.807 1.00 13.45 O1- ATOM 0 H GLU A 68 -14.458 -5.790 21.946 1.00 52.44 H new ATOM 0 HA GLU A 68 -13.342 -7.750 23.702 1.00 33.35 H new ATOM 0 HB2 GLU A 68 -14.437 -8.022 20.873 1.00 33.12 H new ATOM 0 HB3 GLU A 68 -14.213 -9.328 22.020 1.00 33.12 H new ATOM 0 HG2 GLU A 68 -16.131 -6.985 22.330 1.00 4.24 H new ATOM 0 HG3 GLU A 68 -16.571 -8.629 21.912 1.00 4.24 H new ATOM 1109 N LEU A 69 -11.615 -6.927 21.053 1.00 11.24 N ATOM 1110 CA LEU A 69 -10.296 -7.029 20.420 1.00 44.23 C ATOM 1111 C LEU A 69 -9.192 -6.783 21.462 1.00 2.54 C ATOM 1112 O LEU A 69 -8.141 -7.420 21.430 1.00 51.11 O ATOM 1113 CB LEU A 69 -10.201 -6.023 19.251 1.00 3.52 C ATOM 1114 CG LEU A 69 -8.983 -6.164 18.306 1.00 51.23 C ATOM 1115 CD1 LEU A 69 -9.276 -5.501 16.962 1.00 74.22 C ATOM 1116 CD2 LEU A 69 -7.718 -5.556 18.921 1.00 31.30 C ATOM 0 H LEU A 69 -12.209 -6.196 20.662 1.00 11.24 H new ATOM 0 HA LEU A 69 -10.159 -8.033 20.018 1.00 44.23 H new ATOM 0 HB2 LEU A 69 -11.108 -6.111 18.652 1.00 3.52 H new ATOM 0 HB3 LEU A 69 -10.192 -5.016 19.669 1.00 3.52 H new ATOM 0 HG LEU A 69 -8.806 -7.229 18.154 1.00 51.23 H new ATOM 0 HD11 LEU A 69 -8.411 -5.608 16.307 1.00 74.22 H new ATOM 0 HD12 LEU A 69 -10.141 -5.979 16.501 1.00 74.22 H new ATOM 0 HD13 LEU A 69 -9.486 -4.443 17.116 1.00 74.22 H new ATOM 0 HD21 LEU A 69 -6.884 -5.674 18.229 1.00 31.30 H new ATOM 0 HD22 LEU A 69 -7.881 -4.496 19.115 1.00 31.30 H new ATOM 0 HD23 LEU A 69 -7.488 -6.065 19.857 1.00 31.30 H new ATOM 1128 N ALA A 70 -9.454 -5.864 22.395 1.00 14.14 N ATOM 1129 CA ALA A 70 -8.512 -5.561 23.482 1.00 60.14 C ATOM 1130 C ALA A 70 -8.166 -6.813 24.309 1.00 72.41 C ATOM 1131 O ALA A 70 -7.004 -7.036 24.655 1.00 25.00 O ATOM 1132 CB ALA A 70 -9.085 -4.472 24.383 1.00 71.50 C ATOM 0 H ALA A 70 -10.313 -5.314 22.421 1.00 14.14 H new ATOM 0 HA ALA A 70 -7.587 -5.205 23.028 1.00 60.14 H new ATOM 0 HB1 ALA A 70 -8.380 -4.255 25.185 1.00 71.50 H new ATOM 0 HB2 ALA A 70 -9.258 -3.569 23.798 1.00 71.50 H new ATOM 0 HB3 ALA A 70 -10.028 -4.813 24.811 1.00 71.50 H new ATOM 1138 N LYS A 71 -9.177 -7.628 24.629 1.00 54.01 N ATOM 1139 CA LYS A 71 -8.946 -8.878 25.370 1.00 74.45 C ATOM 1140 C LYS A 71 -8.151 -9.884 24.524 1.00 1.14 C ATOM 1141 O LYS A 71 -7.230 -10.538 25.015 1.00 71.11 O ATOM 1142 CB LYS A 71 -10.266 -9.540 25.812 1.00 75.00 C ATOM 1143 CG LYS A 71 -11.082 -8.754 26.842 1.00 11.14 C ATOM 1144 CD LYS A 71 -11.985 -7.706 26.194 1.00 2.25 C ATOM 1145 CE LYS A 71 -12.930 -7.063 27.210 1.00 62.34 C ATOM 1146 NZ LYS A 71 -13.894 -6.139 26.559 1.00 44.40 N1+ ATOM 0 H LYS A 71 -10.153 -7.450 24.391 1.00 54.01 H new ATOM 0 HA LYS A 71 -8.373 -8.607 26.257 1.00 74.45 H new ATOM 0 HB2 LYS A 71 -10.885 -9.701 24.930 1.00 75.00 H new ATOM 0 HB3 LYS A 71 -10.039 -10.522 26.226 1.00 75.00 H new ATOM 0 HG2 LYS A 71 -11.692 -9.446 27.423 1.00 11.14 H new ATOM 0 HG3 LYS A 71 -10.404 -8.263 27.541 1.00 11.14 H new ATOM 0 HD2 LYS A 71 -11.371 -6.934 25.730 1.00 2.25 H new ATOM 0 HD3 LYS A 71 -12.568 -8.170 25.399 1.00 2.25 H new ATOM 0 HE2 LYS A 71 -13.476 -7.842 27.742 1.00 62.34 H new ATOM 0 HE3 LYS A 71 -12.348 -6.517 27.953 1.00 62.34 H new ATOM 0 HZ1 LYS A 71 -14.402 -5.597 27.287 1.00 44.40 H new ATOM 0 HZ2 LYS A 71 -13.380 -5.484 25.936 1.00 44.40 H new ATOM 0 HZ3 LYS A 71 -14.576 -6.688 25.998 1.00 44.40 H new ATOM 1160 N ARG A 72 -8.526 -10.003 23.252 1.00 32.43 N ATOM 1161 CA ARG A 72 -7.905 -10.968 22.336 1.00 74.12 C ATOM 1162 C ARG A 72 -6.422 -10.635 22.086 1.00 62.32 C ATOM 1163 O ARG A 72 -5.557 -11.514 22.123 1.00 33.44 O ATOM 1164 CB ARG A 72 -8.694 -10.990 21.009 1.00 34.30 C ATOM 1165 CG ARG A 72 -8.567 -12.288 20.209 1.00 3.02 C ATOM 1166 CD ARG A 72 -7.228 -12.420 19.489 1.00 23.42 C ATOM 1167 NE ARG A 72 -7.073 -13.739 18.883 1.00 14.42 N ATOM 1168 CZ ARG A 72 -6.333 -13.998 17.839 1.00 65.12 C ATOM 1169 NH1 ARG A 72 -5.713 -13.053 17.207 1.00 4.20 N1+ ATOM 1170 NH2 ARG A 72 -6.232 -15.210 17.410 1.00 34.24 N ATOM 0 H ARG A 72 -9.262 -9.440 22.826 1.00 32.43 H new ATOM 0 HA ARG A 72 -7.938 -11.957 22.794 1.00 74.12 H new ATOM 0 HB2 ARG A 72 -9.748 -10.815 21.226 1.00 34.30 H new ATOM 0 HB3 ARG A 72 -8.355 -10.162 20.387 1.00 34.30 H new ATOM 0 HG2 ARG A 72 -8.696 -13.136 20.881 1.00 3.02 H new ATOM 0 HG3 ARG A 72 -9.373 -12.336 19.477 1.00 3.02 H new ATOM 0 HD2 ARG A 72 -7.151 -11.653 18.718 1.00 23.42 H new ATOM 0 HD3 ARG A 72 -6.416 -12.245 20.195 1.00 23.42 H new ATOM 0 HE ARG A 72 -7.580 -14.516 19.307 1.00 14.42 H new ATOM 0 HH11 ARG A 72 -5.798 -12.087 17.523 1.00 4.20 H new ATOM 0 HH12 ARG A 72 -5.139 -13.275 16.393 1.00 4.20 H new ATOM 0 HH21 ARG A 72 -6.729 -15.963 17.886 1.00 34.24 H new ATOM 0 HH22 ARG A 72 -5.655 -15.416 16.595 1.00 34.24 H new ATOM 1184 N ALA A 73 -6.138 -9.359 21.846 1.00 3.44 N ATOM 1185 CA ALA A 73 -4.784 -8.902 21.513 1.00 34.44 C ATOM 1186 C ALA A 73 -3.794 -9.077 22.678 1.00 23.03 C ATOM 1187 O ALA A 73 -2.617 -9.361 22.455 1.00 23.35 O ATOM 1188 CB ALA A 73 -4.820 -7.444 21.071 1.00 41.24 C ATOM 0 H ALA A 73 -6.832 -8.612 21.875 1.00 3.44 H new ATOM 0 HA ALA A 73 -4.427 -9.528 20.695 1.00 34.44 H new ATOM 0 HB1 ALA A 73 -3.811 -7.113 20.826 1.00 41.24 H new ATOM 0 HB2 ALA A 73 -5.458 -7.346 20.192 1.00 41.24 H new ATOM 0 HB3 ALA A 73 -5.217 -6.829 21.878 1.00 41.24 H new ATOM 1194 N LYS A 74 -4.276 -8.933 23.917 1.00 55.51 N ATOM 1195 CA LYS A 74 -3.398 -8.947 25.100 1.00 51.41 C ATOM 1196 C LYS A 74 -2.520 -10.213 25.159 1.00 32.12 C ATOM 1197 O LYS A 74 -1.361 -10.155 25.578 1.00 72.00 O ATOM 1198 CB LYS A 74 -4.217 -8.815 26.394 1.00 74.04 C ATOM 1199 CG LYS A 74 -3.349 -8.656 27.644 1.00 41.41 C ATOM 1200 CD LYS A 74 -4.176 -8.511 28.918 1.00 34.22 C ATOM 1201 CE LYS A 74 -3.282 -8.309 30.138 1.00 35.34 C ATOM 1202 NZ LYS A 74 -4.066 -8.191 31.392 1.00 63.34 N1+ ATOM 0 H LYS A 74 -5.265 -8.806 24.130 1.00 55.51 H new ATOM 0 HA LYS A 74 -2.735 -8.087 25.009 1.00 51.41 H new ATOM 0 HB2 LYS A 74 -4.882 -7.955 26.309 1.00 74.04 H new ATOM 0 HB3 LYS A 74 -4.849 -9.696 26.508 1.00 74.04 H new ATOM 0 HG2 LYS A 74 -2.692 -9.521 27.738 1.00 41.41 H new ATOM 0 HG3 LYS A 74 -2.709 -7.781 27.529 1.00 41.41 H new ATOM 0 HD2 LYS A 74 -4.856 -7.665 28.819 1.00 34.22 H new ATOM 0 HD3 LYS A 74 -4.791 -9.400 29.058 1.00 34.22 H new ATOM 0 HE2 LYS A 74 -2.589 -9.146 30.222 1.00 35.34 H new ATOM 0 HE3 LYS A 74 -2.681 -7.410 30.001 1.00 35.34 H new ATOM 0 HZ1 LYS A 74 -3.419 -8.055 32.195 1.00 63.34 H new ATOM 0 HZ2 LYS A 74 -4.709 -7.377 31.324 1.00 63.34 H new ATOM 0 HZ3 LYS A 74 -4.621 -9.059 31.538 1.00 63.34 H new ATOM 1216 N LYS A 75 -3.076 -11.357 24.761 1.00 4.41 N ATOM 1217 CA LYS A 75 -2.306 -12.610 24.715 1.00 34.44 C ATOM 1218 C LYS A 75 -1.069 -12.470 23.806 1.00 4.34 C ATOM 1219 O LYS A 75 0.033 -12.873 24.174 1.00 14.24 O ATOM 1220 CB LYS A 75 -3.176 -13.781 24.223 1.00 23.33 C ATOM 1221 CG LYS A 75 -4.271 -14.223 25.199 1.00 53.30 C ATOM 1222 CD LYS A 75 -5.447 -13.248 25.248 1.00 72.13 C ATOM 1223 CE LYS A 75 -6.550 -13.738 26.183 1.00 12.02 C ATOM 1224 NZ LYS A 75 -7.744 -12.851 26.151 1.00 31.25 N1+ ATOM 0 H LYS A 75 -4.049 -11.447 24.467 1.00 4.41 H new ATOM 0 HA LYS A 75 -1.975 -12.821 25.732 1.00 34.44 H new ATOM 0 HB2 LYS A 75 -3.643 -13.497 23.280 1.00 23.33 H new ATOM 0 HB3 LYS A 75 -2.529 -14.633 24.015 1.00 23.33 H new ATOM 0 HG2 LYS A 75 -4.634 -15.209 24.909 1.00 53.30 H new ATOM 0 HG3 LYS A 75 -3.844 -14.321 26.197 1.00 53.30 H new ATOM 0 HD2 LYS A 75 -5.096 -12.271 25.580 1.00 72.13 H new ATOM 0 HD3 LYS A 75 -5.852 -13.117 24.245 1.00 72.13 H new ATOM 0 HE2 LYS A 75 -6.842 -14.749 25.900 1.00 12.02 H new ATOM 0 HE3 LYS A 75 -6.165 -13.791 27.201 1.00 12.02 H new ATOM 0 HZ1 LYS A 75 -7.968 -12.535 27.116 1.00 31.25 H new ATOM 0 HZ2 LYS A 75 -7.546 -12.023 25.553 1.00 31.25 H new ATOM 0 HZ3 LYS A 75 -8.554 -13.374 25.761 1.00 31.25 H new ATOM 1238 N LEU A 76 -1.263 -11.868 22.632 1.00 13.23 N ATOM 1239 CA LEU A 76 -0.182 -11.688 21.650 1.00 2.42 C ATOM 1240 C LEU A 76 0.960 -10.823 22.213 1.00 33.31 C ATOM 1241 O LEU A 76 2.135 -11.059 21.923 1.00 52.11 O ATOM 1242 CB LEU A 76 -0.735 -11.051 20.364 1.00 15.35 C ATOM 1243 CG LEU A 76 -1.840 -11.851 19.654 1.00 4.33 C ATOM 1244 CD1 LEU A 76 -2.351 -11.099 18.427 1.00 75.24 C ATOM 1245 CD2 LEU A 76 -1.337 -13.240 19.266 1.00 41.20 C ATOM 0 H LEU A 76 -2.163 -11.493 22.333 1.00 13.23 H new ATOM 0 HA LEU A 76 0.225 -12.673 21.423 1.00 2.42 H new ATOM 0 HB2 LEU A 76 -1.125 -10.062 20.607 1.00 15.35 H new ATOM 0 HB3 LEU A 76 0.090 -10.906 19.667 1.00 15.35 H new ATOM 0 HG LEU A 76 -2.671 -11.971 20.349 1.00 4.33 H new ATOM 0 HD11 LEU A 76 -3.132 -11.684 17.941 1.00 75.24 H new ATOM 0 HD12 LEU A 76 -2.757 -10.135 18.734 1.00 75.24 H new ATOM 0 HD13 LEU A 76 -1.529 -10.940 17.729 1.00 75.24 H new ATOM 0 HD21 LEU A 76 -2.134 -13.789 18.765 1.00 41.20 H new ATOM 0 HD22 LEU A 76 -0.485 -13.144 18.593 1.00 41.20 H new ATOM 0 HD23 LEU A 76 -1.032 -13.780 20.162 1.00 41.20 H new ATOM 1257 N LEU A 77 0.602 -9.823 23.020 1.00 64.21 N ATOM 1258 CA LEU A 77 1.585 -8.923 23.646 1.00 52.11 C ATOM 1259 C LEU A 77 2.628 -9.694 24.472 1.00 35.25 C ATOM 1260 O LEU A 77 3.783 -9.270 24.575 1.00 1.20 O ATOM 1261 CB LEU A 77 0.875 -7.884 24.533 1.00 44.21 C ATOM 1262 CG LEU A 77 0.311 -6.647 23.802 1.00 61.45 C ATOM 1263 CD1 LEU A 77 -0.606 -7.048 22.648 1.00 71.51 C ATOM 1264 CD2 LEU A 77 -0.428 -5.742 24.786 1.00 3.22 C ATOM 0 H LEU A 77 -0.367 -9.611 23.259 1.00 64.21 H new ATOM 0 HA LEU A 77 2.112 -8.411 22.841 1.00 52.11 H new ATOM 0 HB2 LEU A 77 0.056 -8.379 25.054 1.00 44.21 H new ATOM 0 HB3 LEU A 77 1.577 -7.544 25.294 1.00 44.21 H new ATOM 0 HG LEU A 77 1.151 -6.096 23.379 1.00 61.45 H new ATOM 0 HD11 LEU A 77 -0.985 -6.152 22.156 1.00 71.51 H new ATOM 0 HD12 LEU A 77 -0.046 -7.647 21.930 1.00 71.51 H new ATOM 0 HD13 LEU A 77 -1.442 -7.631 23.034 1.00 71.51 H new ATOM 0 HD21 LEU A 77 -0.821 -4.873 24.257 1.00 3.22 H new ATOM 0 HD22 LEU A 77 -1.252 -6.294 25.240 1.00 3.22 H new ATOM 0 HD23 LEU A 77 0.260 -5.412 25.564 1.00 3.22 H new ATOM 1276 N ARG A 78 2.224 -10.823 25.057 1.00 2.22 N ATOM 1277 CA ARG A 78 3.133 -11.639 25.874 1.00 14.11 C ATOM 1278 C ARG A 78 4.387 -12.056 25.090 1.00 52.51 C ATOM 1279 O ARG A 78 5.486 -12.101 25.644 1.00 30.43 O ATOM 1280 CB ARG A 78 2.418 -12.890 26.400 1.00 61.24 C ATOM 1281 CG ARG A 78 1.259 -12.598 27.349 1.00 34.13 C ATOM 1282 CD ARG A 78 1.685 -11.718 28.528 1.00 52.43 C ATOM 1283 NE ARG A 78 0.723 -11.758 29.631 1.00 74.10 N ATOM 1284 CZ ARG A 78 -0.536 -11.411 29.538 1.00 41.25 C ATOM 1285 NH1 ARG A 78 -1.014 -10.907 28.443 1.00 2.14 N1+ ATOM 1286 NH2 ARG A 78 -1.317 -11.539 30.560 1.00 64.32 N ATOM 0 H ARG A 78 1.277 -11.195 24.983 1.00 2.22 H new ATOM 0 HA ARG A 78 3.445 -11.020 26.715 1.00 14.11 H new ATOM 0 HB2 ARG A 78 2.043 -13.463 25.552 1.00 61.24 H new ATOM 0 HB3 ARG A 78 3.144 -13.520 26.914 1.00 61.24 H new ATOM 0 HG2 ARG A 78 0.458 -12.104 26.800 1.00 34.13 H new ATOM 0 HG3 ARG A 78 0.855 -13.537 27.726 1.00 34.13 H new ATOM 0 HD2 ARG A 78 2.660 -12.045 28.888 1.00 52.43 H new ATOM 0 HD3 ARG A 78 1.800 -10.689 28.187 1.00 52.43 H new ATOM 0 HE ARG A 78 1.058 -12.080 30.539 1.00 74.10 H new ATOM 0 HH11 ARG A 78 -0.406 -10.775 27.635 1.00 2.14 H new ATOM 0 HH12 ARG A 78 -1.998 -10.643 28.390 1.00 2.14 H new ATOM 0 HH21 ARG A 78 -0.952 -11.910 31.437 1.00 64.32 H new ATOM 0 HH22 ARG A 78 -2.298 -11.269 30.489 1.00 64.32 H new ATOM 1300 N SER A 79 4.220 -12.340 23.797 1.00 33.43 N ATOM 1301 CA SER A 79 5.349 -12.725 22.935 1.00 3.21 C ATOM 1302 C SER A 79 6.439 -11.638 22.911 1.00 25.10 C ATOM 1303 O SER A 79 7.612 -11.930 22.671 1.00 55.10 O ATOM 1304 CB SER A 79 4.867 -13.019 21.505 1.00 42.24 C ATOM 1305 OG SER A 79 3.986 -14.135 21.478 1.00 45.11 O ATOM 0 H SER A 79 3.318 -12.312 23.321 1.00 33.43 H new ATOM 0 HA SER A 79 5.784 -13.632 23.355 1.00 3.21 H new ATOM 0 HB2 SER A 79 4.360 -12.142 21.102 1.00 42.24 H new ATOM 0 HB3 SER A 79 5.725 -13.214 20.862 1.00 42.24 H new ATOM 0 HG SER A 79 3.694 -14.299 20.557 1.00 45.11 H new ATOM 1311 N TRP A 80 6.039 -10.385 23.158 1.00 11.23 N ATOM 1312 CA TRP A 80 6.988 -9.267 23.284 1.00 74.22 C ATOM 1313 C TRP A 80 7.420 -9.092 24.748 1.00 31.31 C ATOM 1314 O TRP A 80 8.605 -8.979 25.054 1.00 35.40 O ATOM 1315 CB TRP A 80 6.359 -7.953 22.797 1.00 1.54 C ATOM 1316 CG TRP A 80 5.754 -8.014 21.422 1.00 70.05 C ATOM 1317 CD1 TRP A 80 5.997 -8.934 20.443 1.00 73.45 C ATOM 1318 CD2 TRP A 80 4.806 -7.091 20.878 1.00 5.31 C ATOM 1319 NE1 TRP A 80 5.246 -8.644 19.329 1.00 41.44 N ATOM 1320 CE2 TRP A 80 4.507 -7.517 19.571 1.00 74.43 C ATOM 1321 CE3 TRP A 80 4.174 -5.948 21.378 1.00 34.35 C ATOM 1322 CZ2 TRP A 80 3.610 -6.834 18.755 1.00 32.31 C ATOM 1323 CZ3 TRP A 80 3.285 -5.270 20.568 1.00 35.24 C ATOM 1324 CH2 TRP A 80 3.006 -5.716 19.270 1.00 41.31 C ATOM 0 H TRP A 80 5.062 -10.117 23.275 1.00 11.23 H new ATOM 0 HA TRP A 80 7.855 -9.502 22.667 1.00 74.22 H new ATOM 0 HB2 TRP A 80 5.587 -7.652 23.505 1.00 1.54 H new ATOM 0 HB3 TRP A 80 7.123 -7.175 22.808 1.00 1.54 H new ATOM 0 HD1 TRP A 80 6.679 -9.767 20.531 1.00 73.45 H new ATOM 0 HE1 TRP A 80 5.240 -9.181 18.462 1.00 41.44 H new ATOM 0 HE3 TRP A 80 4.378 -5.602 22.380 1.00 34.35 H new ATOM 0 HZ2 TRP A 80 3.397 -7.173 17.752 1.00 32.31 H new ATOM 0 HZ3 TRP A 80 2.797 -4.382 20.941 1.00 35.24 H new ATOM 0 HH2 TRP A 80 2.301 -5.168 18.662 1.00 41.31 H new ATOM 1335 N GLN A 81 6.433 -9.089 25.648 1.00 42.34 N ATOM 1336 CA GLN A 81 6.661 -8.916 27.093 1.00 71.21 C ATOM 1337 C GLN A 81 7.645 -9.953 27.658 1.00 22.30 C ATOM 1338 O GLN A 81 8.202 -9.770 28.741 1.00 64.00 O ATOM 1339 CB GLN A 81 5.328 -8.985 27.849 1.00 72.42 C ATOM 1340 CG GLN A 81 4.332 -7.905 27.440 1.00 1.45 C ATOM 1341 CD GLN A 81 4.849 -6.495 27.685 1.00 31.20 C ATOM 1342 OE1 GLN A 81 4.656 -5.926 28.754 1.00 74.44 O ATOM 1343 NE2 GLN A 81 5.507 -5.918 26.697 1.00 0.32 N ATOM 0 H GLN A 81 5.451 -9.206 25.399 1.00 42.34 H new ATOM 0 HA GLN A 81 7.111 -7.933 27.235 1.00 71.21 H new ATOM 0 HB2 GLN A 81 4.877 -9.963 27.683 1.00 72.42 H new ATOM 0 HB3 GLN A 81 5.523 -8.901 28.918 1.00 72.42 H new ATOM 0 HG2 GLN A 81 4.094 -8.020 26.383 1.00 1.45 H new ATOM 0 HG3 GLN A 81 3.403 -8.047 27.993 1.00 1.45 H new ATOM 0 HE21 GLN A 81 5.651 -6.418 25.820 1.00 0.32 H new ATOM 0 HE22 GLN A 81 5.871 -4.972 26.811 1.00 0.32 H new ATOM 1352 N LYS A 82 7.858 -11.030 26.905 1.00 22.42 N ATOM 1353 CA LYS A 82 8.750 -12.123 27.311 1.00 54.02 C ATOM 1354 C LYS A 82 10.178 -11.613 27.604 1.00 51.22 C ATOM 1355 O LYS A 82 10.931 -12.247 28.345 1.00 62.12 O ATOM 1356 CB LYS A 82 8.756 -13.183 26.184 1.00 53.33 C ATOM 1357 CG LYS A 82 9.637 -14.421 26.416 1.00 45.11 C ATOM 1358 CD LYS A 82 11.105 -14.179 26.052 1.00 64.41 C ATOM 1359 CE LYS A 82 11.934 -15.456 26.133 1.00 31.10 C ATOM 1360 NZ LYS A 82 11.553 -16.428 25.074 1.00 33.51 N1+ ATOM 0 H LYS A 82 7.419 -11.173 25.996 1.00 22.42 H new ATOM 0 HA LYS A 82 8.385 -12.566 28.238 1.00 54.02 H new ATOM 0 HB2 LYS A 82 7.731 -13.518 26.024 1.00 53.33 H new ATOM 0 HB3 LYS A 82 9.081 -12.700 25.262 1.00 53.33 H new ATOM 0 HG2 LYS A 82 9.571 -14.718 27.463 1.00 45.11 H new ATOM 0 HG3 LYS A 82 9.252 -15.252 25.824 1.00 45.11 H new ATOM 0 HD2 LYS A 82 11.165 -13.772 25.043 1.00 64.41 H new ATOM 0 HD3 LYS A 82 11.526 -13.431 26.724 1.00 64.41 H new ATOM 0 HE2 LYS A 82 12.992 -15.210 26.037 1.00 31.10 H new ATOM 0 HE3 LYS A 82 11.801 -15.915 27.113 1.00 31.10 H new ATOM 0 HZ1 LYS A 82 12.271 -17.179 25.017 1.00 33.51 H new ATOM 0 HZ2 LYS A 82 10.630 -16.848 25.304 1.00 33.51 H new ATOM 0 HZ3 LYS A 82 11.492 -15.938 24.159 1.00 33.51 H new ATOM 1374 N LEU A 83 10.543 -10.459 27.045 1.00 63.13 N ATOM 1375 CA LEU A 83 11.866 -9.874 27.303 1.00 4.54 C ATOM 1376 C LEU A 83 12.066 -9.518 28.794 1.00 53.43 C ATOM 1377 O LEU A 83 13.177 -9.626 29.316 1.00 3.02 O ATOM 1378 CB LEU A 83 12.125 -8.660 26.377 1.00 42.14 C ATOM 1379 CG LEU A 83 11.016 -7.585 26.301 1.00 41.43 C ATOM 1380 CD1 LEU A 83 11.045 -6.655 27.505 1.00 32.24 C ATOM 1381 CD2 LEU A 83 11.128 -6.776 25.008 1.00 55.45 C ATOM 0 H LEU A 83 9.952 -9.914 26.418 1.00 63.13 H new ATOM 0 HA LEU A 83 12.611 -10.634 27.067 1.00 4.54 H new ATOM 0 HB2 LEU A 83 13.045 -8.175 26.704 1.00 42.14 H new ATOM 0 HB3 LEU A 83 12.303 -9.035 25.369 1.00 42.14 H new ATOM 0 HG LEU A 83 10.061 -8.110 26.307 1.00 41.43 H new ATOM 0 HD11 LEU A 83 10.250 -5.915 27.412 1.00 32.24 H new ATOM 0 HD12 LEU A 83 10.897 -7.235 28.416 1.00 32.24 H new ATOM 0 HD13 LEU A 83 12.009 -6.148 27.550 1.00 32.24 H new ATOM 0 HD21 LEU A 83 10.337 -6.027 24.978 1.00 55.45 H new ATOM 0 HD22 LEU A 83 12.098 -6.281 24.971 1.00 55.45 H new ATOM 0 HD23 LEU A 83 11.028 -7.443 24.152 1.00 55.45 H new ATOM 1393 N ILE A 84 10.998 -9.088 29.479 1.00 33.34 N ATOM 1394 CA ILE A 84 11.062 -8.827 30.932 1.00 44.24 C ATOM 1395 C ILE A 84 10.332 -9.905 31.756 1.00 32.25 C ATOM 1396 O ILE A 84 10.652 -10.117 32.930 1.00 65.34 O ATOM 1397 CB ILE A 84 10.468 -7.441 31.301 1.00 61.32 C ATOM 1398 CG1 ILE A 84 9.082 -7.258 30.654 1.00 60.44 C ATOM 1399 CG2 ILE A 84 11.422 -6.313 30.905 1.00 55.42 C ATOM 1400 CD1 ILE A 84 8.430 -5.922 30.949 1.00 73.22 C ATOM 0 H ILE A 84 10.085 -8.913 29.059 1.00 33.34 H new ATOM 0 HA ILE A 84 12.123 -8.846 31.181 1.00 44.24 H new ATOM 0 HB ILE A 84 10.342 -7.398 32.383 1.00 61.32 H new ATOM 0 HG12 ILE A 84 9.180 -7.371 29.574 1.00 60.44 H new ATOM 0 HG13 ILE A 84 8.424 -8.055 31.000 1.00 60.44 H new ATOM 0 HG21 ILE A 84 10.982 -5.353 31.174 1.00 55.42 H new ATOM 0 HG22 ILE A 84 12.370 -6.437 31.429 1.00 55.42 H new ATOM 0 HG23 ILE A 84 11.595 -6.344 29.829 1.00 55.42 H new ATOM 0 HD11 ILE A 84 7.459 -5.875 30.457 1.00 73.22 H new ATOM 0 HD12 ILE A 84 8.297 -5.812 32.025 1.00 73.22 H new ATOM 0 HD13 ILE A 84 9.065 -5.117 30.577 1.00 73.22 H new ATOM 1412 N GLU A 85 9.382 -10.603 31.137 1.00 11.04 N ATOM 1413 CA GLU A 85 8.519 -11.557 31.855 1.00 2.25 C ATOM 1414 C GLU A 85 8.831 -13.016 31.488 1.00 53.35 C ATOM 1415 O GLU A 85 9.298 -13.307 30.387 1.00 64.41 O ATOM 1416 CB GLU A 85 7.029 -11.268 31.550 1.00 2.41 C ATOM 1417 CG GLU A 85 6.234 -10.716 32.732 1.00 75.32 C ATOM 1418 CD GLU A 85 6.552 -9.264 33.046 1.00 51.44 C ATOM 1419 OE1 GLU A 85 5.860 -8.377 32.506 1.00 54.13 O ATOM 1420 OE2 GLU A 85 7.475 -9.007 33.851 1.00 51.13 O1- ATOM 0 H GLU A 85 9.185 -10.530 30.139 1.00 11.04 H new ATOM 0 HA GLU A 85 8.719 -11.424 32.918 1.00 2.25 H new ATOM 0 HB2 GLU A 85 6.972 -10.556 30.726 1.00 2.41 H new ATOM 0 HB3 GLU A 85 6.556 -12.189 31.209 1.00 2.41 H new ATOM 0 HG2 GLU A 85 5.169 -10.809 32.520 1.00 75.32 H new ATOM 0 HG3 GLU A 85 6.438 -11.324 33.613 1.00 75.32 H new ATOM 1427 N PRO A 86 8.545 -13.964 32.409 1.00 74.11 N ATOM 1428 CA PRO A 86 8.622 -15.406 32.116 1.00 71.41 C ATOM 1429 C PRO A 86 7.370 -15.918 31.369 1.00 23.14 C ATOM 1430 O PRO A 86 7.092 -17.121 31.339 1.00 22.34 O ATOM 1431 CB PRO A 86 8.715 -16.026 33.515 1.00 11.23 C ATOM 1432 CG PRO A 86 7.933 -15.096 34.382 1.00 10.10 C ATOM 1433 CD PRO A 86 8.149 -13.712 33.815 1.00 45.31 C ATOM 0 HA PRO A 86 9.457 -15.659 31.462 1.00 71.41 H new ATOM 0 HB2 PRO A 86 8.297 -17.033 33.533 1.00 11.23 H new ATOM 0 HB3 PRO A 86 9.750 -16.105 33.848 1.00 11.23 H new ATOM 0 HG2 PRO A 86 6.875 -15.358 34.379 1.00 10.10 H new ATOM 0 HG3 PRO A 86 8.272 -15.150 35.417 1.00 10.10 H new ATOM 0 HD2 PRO A 86 7.242 -13.110 33.873 1.00 45.31 H new ATOM 0 HD3 PRO A 86 8.925 -13.173 34.359 1.00 45.31 H new ATOM 1441 N ALA A 87 6.623 -14.995 30.762 1.00 0.22 N ATOM 1442 CA ALA A 87 5.404 -15.333 30.019 1.00 21.54 C ATOM 1443 C ALA A 87 5.724 -15.822 28.597 1.00 62.32 C ATOM 1444 O ALA A 87 6.171 -15.049 27.750 1.00 11.42 O ATOM 1445 CB ALA A 87 4.473 -14.126 29.969 1.00 63.31 C ATOM 0 H ALA A 87 6.842 -13.999 30.770 1.00 0.22 H new ATOM 0 HA ALA A 87 4.907 -16.149 30.543 1.00 21.54 H new ATOM 0 HB1 ALA A 87 3.570 -14.385 29.416 1.00 63.31 H new ATOM 0 HB2 ALA A 87 4.205 -13.831 30.983 1.00 63.31 H new ATOM 0 HB3 ALA A 87 4.978 -13.298 29.472 1.00 63.31 H new ATOM 1451 N HIS A 88 5.481 -17.111 28.349 1.00 45.13 N ATOM 1452 CA HIS A 88 5.773 -17.739 27.049 1.00 4.54 C ATOM 1453 C HIS A 88 5.419 -19.235 27.054 1.00 71.44 C ATOM 1454 O HIS A 88 5.121 -19.819 26.012 1.00 11.03 O ATOM 1455 CB HIS A 88 7.255 -17.562 26.666 1.00 2.41 C ATOM 1456 CG HIS A 88 8.220 -18.082 27.692 1.00 65.01 C ATOM 1457 ND1 HIS A 88 8.669 -19.387 27.723 1.00 51.42 N ATOM 1458 CD2 HIS A 88 8.825 -17.461 28.730 1.00 60.03 C ATOM 1459 CE1 HIS A 88 9.501 -19.542 28.732 1.00 25.40 C ATOM 1460 NE2 HIS A 88 9.612 -18.392 29.356 1.00 61.33 N ATOM 0 H HIS A 88 5.079 -17.749 29.036 1.00 45.13 H new ATOM 0 HA HIS A 88 5.152 -17.236 26.307 1.00 4.54 H new ATOM 0 HB2 HIS A 88 7.438 -18.071 25.720 1.00 2.41 H new ATOM 0 HB3 HIS A 88 7.452 -16.503 26.501 1.00 2.41 H new ATOM 0 HD2 HIS A 88 8.709 -16.425 29.013 1.00 60.03 H new ATOM 0 HE1 HIS A 88 10.006 -20.458 29.000 1.00 25.40 H new ATOM 0 HE2 HIS A 88 10.192 -18.219 30.177 1.00 61.33 H new ATOM 1469 N GLN A 89 5.442 -19.844 28.237 1.00 61.02 N ATOM 1470 CA GLN A 89 5.230 -21.289 28.373 1.00 11.43 C ATOM 1471 C GLN A 89 3.782 -21.693 28.017 1.00 0.43 C ATOM 1472 O GLN A 89 3.547 -22.770 27.471 1.00 32.00 O ATOM 1473 CB GLN A 89 5.600 -21.722 29.806 1.00 43.13 C ATOM 1474 CG GLN A 89 5.731 -23.235 30.011 1.00 72.45 C ATOM 1475 CD GLN A 89 4.473 -23.882 30.565 1.00 64.12 C ATOM 1476 OE1 GLN A 89 3.594 -24.306 29.825 1.00 11.22 O ATOM 1477 NE2 GLN A 89 4.379 -23.965 31.878 1.00 21.34 N ATOM 0 H GLN A 89 5.606 -19.360 29.120 1.00 61.02 H new ATOM 0 HA GLN A 89 5.876 -21.807 27.664 1.00 11.43 H new ATOM 0 HB2 GLN A 89 6.544 -21.250 30.080 1.00 43.13 H new ATOM 0 HB3 GLN A 89 4.843 -21.342 30.492 1.00 43.13 H new ATOM 0 HG2 GLN A 89 5.981 -23.702 29.059 1.00 72.45 H new ATOM 0 HG3 GLN A 89 6.561 -23.431 30.690 1.00 72.45 H new ATOM 0 HE21 GLN A 89 5.129 -23.602 32.467 1.00 21.34 H new ATOM 0 HE22 GLN A 89 3.557 -24.392 32.304 1.00 21.34 H new ATOM 1486 N HIS A 90 2.819 -20.817 28.318 1.00 23.04 N ATOM 1487 CA HIS A 90 1.400 -21.069 27.998 1.00 74.44 C ATOM 1488 C HIS A 90 0.875 -20.072 26.952 1.00 51.10 C ATOM 1489 O HIS A 90 -0.045 -20.375 26.189 1.00 70.10 O ATOM 1490 CB HIS A 90 0.526 -20.937 29.259 1.00 31.24 C ATOM 1491 CG HIS A 90 1.235 -21.229 30.541 1.00 13.34 C ATOM 1492 ND1 HIS A 90 1.850 -20.248 31.287 1.00 65.10 N ATOM 1493 CD2 HIS A 90 1.407 -22.382 31.224 1.00 2.12 C ATOM 1494 CE1 HIS A 90 2.370 -20.784 32.371 1.00 70.12 C ATOM 1495 NE2 HIS A 90 2.114 -22.077 32.361 1.00 13.13 N ATOM 0 H HIS A 90 2.990 -19.925 28.783 1.00 23.04 H new ATOM 0 HA HIS A 90 1.342 -22.082 27.600 1.00 74.44 H new ATOM 0 HB2 HIS A 90 0.126 -19.924 29.303 1.00 31.24 H new ATOM 0 HB3 HIS A 90 -0.325 -21.612 29.168 1.00 31.24 H new ATOM 0 HD1 HIS A 90 1.895 -19.260 31.038 1.00 65.10 H new ATOM 0 HD2 HIS A 90 1.055 -23.360 30.931 1.00 2.12 H new ATOM 0 HE1 HIS A 90 2.914 -20.254 33.139 1.00 70.12 H new ATOM 1504 N GLU A 91 1.476 -18.887 26.922 1.00 43.52 N ATOM 1505 CA GLU A 91 0.904 -17.728 26.228 1.00 11.41 C ATOM 1506 C GLU A 91 1.806 -17.191 25.099 1.00 54.24 C ATOM 1507 O GLU A 91 1.881 -15.981 24.871 1.00 73.41 O ATOM 1508 CB GLU A 91 0.606 -16.621 27.265 1.00 33.31 C ATOM 1509 CG GLU A 91 1.764 -16.292 28.220 1.00 62.32 C ATOM 1510 CD GLU A 91 2.037 -17.384 29.258 1.00 43.20 C ATOM 1511 OE1 GLU A 91 3.051 -18.109 29.126 1.00 13.23 O ATOM 1512 OE2 GLU A 91 1.238 -17.534 30.204 1.00 13.32 O1- ATOM 0 H GLU A 91 2.370 -18.699 27.375 1.00 43.52 H new ATOM 0 HA GLU A 91 -0.017 -18.051 25.743 1.00 11.41 H new ATOM 0 HB2 GLU A 91 0.326 -15.712 26.732 1.00 33.31 H new ATOM 0 HB3 GLU A 91 -0.258 -16.923 27.857 1.00 33.31 H new ATOM 0 HG2 GLU A 91 2.669 -16.125 27.635 1.00 62.32 H new ATOM 0 HG3 GLU A 91 1.542 -15.359 28.738 1.00 62.32 H new ATOM 1519 N ALA A 92 2.454 -18.095 24.366 1.00 45.24 N ATOM 1520 CA ALA A 92 3.292 -17.706 23.216 1.00 64.44 C ATOM 1521 C ALA A 92 3.003 -18.573 21.973 1.00 45.02 C ATOM 1522 O ALA A 92 3.464 -19.738 21.935 1.00 37.44 O ATOM 1523 CB ALA A 92 4.768 -17.782 23.589 1.00 74.34 C ATOM 1524 OXT ALA A 92 2.332 -18.082 21.036 1.00 37.44 O ATOM 0 H ALA A 92 2.420 -19.099 24.541 1.00 45.24 H new ATOM 0 HA ALA A 92 3.042 -16.677 22.959 1.00 64.44 H new ATOM 0 HB1 ALA A 92 5.375 -17.492 22.731 1.00 74.34 H new ATOM 0 HB2 ALA A 92 4.968 -17.106 24.420 1.00 74.34 H new ATOM 0 HB3 ALA A 92 5.017 -18.802 23.882 1.00 74.34 H new TER 1530 ALA A 92