USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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 56 THR OG1 : rot -82:sc= -1.06 USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -1.85 F(o=-3.6,f=-2.9) USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0.0639 USER MOD Set 2.2: A 29 LYS NZ :NH3+ 166:sc= 0.0623 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -27:sc= -0.121 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.048) USER MOD Single : A 41 MET CE :methyl -171:sc= 0 (180deg=-0.027) USER MOD Single : A 43 ASN : amide:sc= -3.35 K(o=-3.3,f=-5!) USER MOD Single : A 45 SER OG : rot -38:sc= 1.39 USER MOD Single : A 46 THR OG1 : rot 39:sc= 1.22 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.608 K(o=-0.61,f=-2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00481 USER MOD Single : A 77 SER OG : rot 180:sc= 0.201 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -66:sc= 0.382 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= -0.583 (180deg=-1.03) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 98 MET CE :methyl 160:sc= 0 (180deg=-0.526) USER MOD Single : A 99 THR OG1 : rot 63:sc= 0.00464 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 108 ASN : amide:sc= -0.0139 K(o=-0.014,f=-0.86) USER MOD Single : A 109 MET CE :methyl 166:sc= -1.44 (180deg=-1.58) USER MOD Single : A 110 TYR OH : rot 130:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.107 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 4.331 4.118 -11.117 1.00 74.41 N ATOM 47 CA GLY A 6 3.341 3.326 -11.824 1.00 11.24 C ATOM 48 C GLY A 6 2.382 4.182 -12.629 1.00 64.24 C ATOM 49 O GLY A 6 2.384 5.407 -12.510 1.00 71.00 O ATOM 0 HA2 GLY A 6 3.847 2.628 -12.490 1.00 11.24 H new ATOM 0 HA3 GLY A 6 2.777 2.730 -11.107 1.00 11.24 H new ATOM 53 N ARG A 7 1.563 3.535 -13.452 1.00 33.13 N ATOM 54 CA ARG A 7 0.597 4.245 -14.282 1.00 30.44 C ATOM 55 C ARG A 7 -0.431 4.971 -13.419 1.00 42.00 C ATOM 56 O ARG A 7 -0.732 6.143 -13.650 1.00 23.43 O ATOM 57 CB ARG A 7 -0.110 3.270 -15.225 1.00 60.44 C ATOM 58 CG ARG A 7 0.544 3.163 -16.593 1.00 35.52 C ATOM 59 CD ARG A 7 0.448 1.750 -17.146 1.00 25.43 C ATOM 60 NE ARG A 7 -0.860 1.479 -17.735 1.00 24.23 N ATOM 61 CZ ARG A 7 -1.147 0.371 -18.410 1.00 34.00 C ATOM 62 NH1 ARG A 7 -0.224 -0.564 -18.580 1.00 11.31 N ATOM 63 NH2 ARG A 7 -2.362 0.197 -18.915 1.00 3.31 N ATOM 0 H ARG A 7 1.549 2.521 -13.562 1.00 33.13 H new ATOM 0 HA ARG A 7 1.137 4.985 -14.873 1.00 30.44 H new ATOM 0 HB2 ARG A 7 -0.131 2.283 -14.764 1.00 60.44 H new ATOM 0 HB3 ARG A 7 -1.146 3.586 -15.351 1.00 60.44 H new ATOM 0 HG2 ARG A 7 0.065 3.858 -17.282 1.00 35.52 H new ATOM 0 HG3 ARG A 7 1.591 3.457 -16.521 1.00 35.52 H new ATOM 0 HD2 ARG A 7 1.222 1.603 -17.899 1.00 25.43 H new ATOM 0 HD3 ARG A 7 0.641 1.034 -16.347 1.00 25.43 H new ATOM 0 HE ARG A 7 -1.594 2.178 -17.622 1.00 24.23 H new ATOM 0 HH11 ARG A 7 0.710 -0.435 -18.192 1.00 11.31 H new ATOM 0 HH12 ARG A 7 -0.448 -1.413 -19.099 1.00 11.31 H new ATOM 0 HH21 ARG A 7 -3.076 0.914 -18.785 1.00 3.31 H new ATOM 0 HH22 ARG A 7 -2.582 -0.654 -19.433 1.00 3.31 H new ATOM 77 N ASP A 8 -0.965 4.269 -12.426 1.00 42.24 N ATOM 78 CA ASP A 8 -1.958 4.847 -11.529 1.00 72.25 C ATOM 79 C ASP A 8 -1.407 6.087 -10.835 1.00 13.43 C ATOM 80 O ASP A 8 -2.125 7.064 -10.624 1.00 75.21 O ATOM 81 CB ASP A 8 -2.397 3.816 -10.488 1.00 42.21 C ATOM 82 CG ASP A 8 -2.653 2.451 -11.096 1.00 12.12 C ATOM 83 OD1 ASP A 8 -3.429 2.372 -12.073 1.00 2.24 O ATOM 84 OD2 ASP A 8 -2.078 1.461 -10.596 1.00 52.54 O ATOM 0 H ASP A 8 -0.727 3.298 -12.222 1.00 42.24 H new ATOM 0 HA ASP A 8 -2.822 5.141 -12.124 1.00 72.25 H new ATOM 0 HB2 ASP A 8 -1.628 3.730 -9.720 1.00 42.21 H new ATOM 0 HB3 ASP A 8 -3.303 4.166 -9.994 1.00 42.21 H new ATOM 89 N TRP A 9 -0.127 6.041 -10.480 1.00 71.33 N ATOM 90 CA TRP A 9 0.520 7.161 -9.807 1.00 23.12 C ATOM 91 C TRP A 9 0.581 8.382 -10.719 1.00 53.01 C ATOM 92 O TRP A 9 0.078 9.453 -10.374 1.00 22.51 O ATOM 93 CB TRP A 9 1.931 6.770 -9.365 1.00 15.23 C ATOM 94 CG TRP A 9 2.528 7.723 -8.374 1.00 55.20 C ATOM 95 CD1 TRP A 9 3.746 8.334 -8.456 1.00 41.53 C ATOM 96 CD2 TRP A 9 1.934 8.171 -7.150 1.00 43.33 C ATOM 97 NE1 TRP A 9 3.946 9.136 -7.358 1.00 34.31 N ATOM 98 CE2 TRP A 9 2.848 9.054 -6.543 1.00 15.23 C ATOM 99 CE3 TRP A 9 0.718 7.915 -6.511 1.00 34.12 C ATOM 100 CZ2 TRP A 9 2.582 9.678 -5.327 1.00 4.44 C ATOM 101 CZ3 TRP A 9 0.457 8.536 -5.304 1.00 30.41 C ATOM 102 CH2 TRP A 9 1.385 9.409 -4.722 1.00 53.42 C ATOM 0 H TRP A 9 0.482 5.240 -10.647 1.00 71.33 H new ATOM 0 HA TRP A 9 -0.072 7.416 -8.928 1.00 23.12 H new ATOM 0 HB2 TRP A 9 1.904 5.772 -8.928 1.00 15.23 H new ATOM 0 HB3 TRP A 9 2.577 6.716 -10.241 1.00 15.23 H new ATOM 0 HD1 TRP A 9 4.450 8.206 -9.265 1.00 41.53 H new ATOM 0 HE1 TRP A 9 4.777 9.700 -7.179 1.00 34.31 H new ATOM 0 HE3 TRP A 9 -0.005 7.244 -6.952 1.00 34.12 H new ATOM 0 HZ2 TRP A 9 3.296 10.351 -4.877 1.00 4.44 H new ATOM 0 HZ3 TRP A 9 -0.479 8.345 -4.801 1.00 30.41 H new ATOM 0 HH2 TRP A 9 1.151 9.879 -3.778 1.00 53.42 H new ATOM 113 N LYS A 10 1.197 8.216 -11.883 1.00 4.33 N ATOM 114 CA LYS A 10 1.322 9.304 -12.845 1.00 63.40 C ATOM 115 C LYS A 10 -0.049 9.846 -13.234 1.00 5.41 C ATOM 116 O LYS A 10 -0.215 11.049 -13.442 1.00 74.43 O ATOM 117 CB LYS A 10 2.066 8.825 -14.095 1.00 33.21 C ATOM 118 CG LYS A 10 3.357 9.578 -14.360 1.00 4.24 C ATOM 119 CD LYS A 10 3.136 10.752 -15.301 1.00 22.43 C ATOM 120 CE LYS A 10 2.828 10.281 -16.714 1.00 41.31 C ATOM 121 NZ LYS A 10 3.988 10.475 -17.628 1.00 11.53 N ATOM 0 H LYS A 10 1.618 7.337 -12.184 1.00 4.33 H new ATOM 0 HA LYS A 10 1.891 10.106 -12.376 1.00 63.40 H new ATOM 0 HB2 LYS A 10 2.289 7.763 -13.990 1.00 33.21 H new ATOM 0 HB3 LYS A 10 1.411 8.929 -14.960 1.00 33.21 H new ATOM 0 HG2 LYS A 10 3.769 9.939 -13.417 1.00 4.24 H new ATOM 0 HG3 LYS A 10 4.093 8.899 -14.790 1.00 4.24 H new ATOM 0 HD2 LYS A 10 2.313 11.365 -14.933 1.00 22.43 H new ATOM 0 HD3 LYS A 10 4.024 11.384 -15.312 1.00 22.43 H new ATOM 0 HE2 LYS A 10 2.554 9.226 -16.694 1.00 41.31 H new ATOM 0 HE3 LYS A 10 1.967 10.827 -17.099 1.00 41.31 H new ATOM 0 HZ1 LYS A 10 3.738 10.142 -18.581 1.00 11.53 H new ATOM 0 HZ2 LYS A 10 4.234 11.485 -17.667 1.00 11.53 H new ATOM 0 HZ3 LYS A 10 4.803 9.934 -17.275 1.00 11.53 H new ATOM 135 N MET A 11 -1.029 8.954 -13.330 1.00 13.15 N ATOM 136 CA MET A 11 -2.386 9.345 -13.690 1.00 55.25 C ATOM 137 C MET A 11 -3.004 10.224 -12.608 1.00 13.51 C ATOM 138 O MET A 11 -3.769 11.142 -12.903 1.00 43.23 O ATOM 139 CB MET A 11 -3.255 8.105 -13.914 1.00 31.12 C ATOM 140 CG MET A 11 -3.233 7.598 -15.346 1.00 41.20 C ATOM 141 SD MET A 11 -4.704 6.645 -15.768 1.00 71.13 S ATOM 142 CE MET A 11 -4.560 6.572 -17.552 1.00 61.24 C ATOM 0 H MET A 11 -0.908 7.955 -13.163 1.00 13.15 H new ATOM 0 HA MET A 11 -2.338 9.918 -14.616 1.00 55.25 H new ATOM 0 HB2 MET A 11 -2.916 7.309 -13.250 1.00 31.12 H new ATOM 0 HB3 MET A 11 -4.283 8.337 -13.635 1.00 31.12 H new ATOM 0 HG2 MET A 11 -3.146 8.445 -16.026 1.00 41.20 H new ATOM 0 HG3 MET A 11 -2.349 6.979 -15.494 1.00 41.20 H new ATOM 0 HE1 MET A 11 -5.400 6.012 -17.962 1.00 61.24 H new ATOM 0 HE2 MET A 11 -4.564 7.583 -17.959 1.00 61.24 H new ATOM 0 HE3 MET A 11 -3.628 6.076 -17.822 1.00 61.24 H new ATOM 152 N ALA A 12 -2.668 9.938 -11.355 1.00 33.40 N ATOM 153 CA ALA A 12 -3.190 10.704 -10.229 1.00 23.54 C ATOM 154 C ALA A 12 -2.653 12.131 -10.242 1.00 3.04 C ATOM 155 O ALA A 12 -3.415 13.091 -10.126 1.00 41.34 O ATOM 156 CB ALA A 12 -2.840 10.018 -8.917 1.00 51.34 C ATOM 0 H ALA A 12 -2.036 9.181 -11.093 1.00 33.40 H new ATOM 0 HA ALA A 12 -4.275 10.750 -10.323 1.00 23.54 H new ATOM 0 HB1 ALA A 12 -3.236 10.600 -8.085 1.00 51.34 H new ATOM 0 HB2 ALA A 12 -3.276 9.019 -8.901 1.00 51.34 H new ATOM 0 HB3 ALA A 12 -1.757 9.942 -8.824 1.00 51.34 H new ATOM 162 N ILE A 13 -1.338 12.263 -10.382 1.00 70.44 N ATOM 163 CA ILE A 13 -0.701 13.574 -10.410 1.00 32.21 C ATOM 164 C ILE A 13 -0.991 14.298 -11.720 1.00 50.21 C ATOM 165 O ILE A 13 -1.025 15.527 -11.768 1.00 51.44 O ATOM 166 CB ILE A 13 0.824 13.462 -10.224 1.00 55.43 C ATOM 167 CG1 ILE A 13 1.150 12.786 -8.890 1.00 52.32 C ATOM 168 CG2 ILE A 13 1.468 14.838 -10.298 1.00 43.41 C ATOM 169 CD1 ILE A 13 2.633 12.658 -8.624 1.00 62.21 C ATOM 0 H ILE A 13 -0.693 11.478 -10.478 1.00 70.44 H new ATOM 0 HA ILE A 13 -1.119 14.146 -9.582 1.00 32.21 H new ATOM 0 HB ILE A 13 1.229 12.848 -11.028 1.00 55.43 H new ATOM 0 HG12 ILE A 13 0.692 13.356 -8.082 1.00 52.32 H new ATOM 0 HG13 ILE A 13 0.699 11.794 -8.875 1.00 52.32 H new ATOM 0 HG21 ILE A 13 2.546 14.743 -10.165 1.00 43.41 H new ATOM 0 HG22 ILE A 13 1.261 15.285 -11.270 1.00 43.41 H new ATOM 0 HG23 ILE A 13 1.060 15.473 -9.512 1.00 43.41 H new ATOM 0 HD11 ILE A 13 2.789 12.170 -7.662 1.00 62.21 H new ATOM 0 HD12 ILE A 13 3.094 12.062 -9.412 1.00 62.21 H new ATOM 0 HD13 ILE A 13 3.086 13.649 -8.606 1.00 62.21 H new ATOM 181 N LYS A 14 -1.200 13.527 -12.782 1.00 11.43 N ATOM 182 CA LYS A 14 -1.490 14.094 -14.094 1.00 63.42 C ATOM 183 C LYS A 14 -2.821 14.839 -14.082 1.00 62.13 C ATOM 184 O LYS A 14 -2.925 15.951 -14.599 1.00 13.31 O ATOM 185 CB LYS A 14 -1.520 12.990 -15.154 1.00 31.12 C ATOM 186 CG LYS A 14 -1.917 13.483 -16.534 1.00 52.30 C ATOM 187 CD LYS A 14 -1.065 12.847 -17.620 1.00 34.25 C ATOM 188 CE LYS A 14 -1.551 13.235 -19.008 1.00 61.24 C ATOM 189 NZ LYS A 14 -2.526 12.248 -19.551 1.00 21.21 N ATOM 0 H LYS A 14 -1.174 12.508 -12.760 1.00 11.43 H new ATOM 0 HA LYS A 14 -0.699 14.803 -14.339 1.00 63.42 H new ATOM 0 HB2 LYS A 14 -0.535 12.527 -15.212 1.00 31.12 H new ATOM 0 HB3 LYS A 14 -2.219 12.215 -14.839 1.00 31.12 H new ATOM 0 HG2 LYS A 14 -2.968 13.255 -16.714 1.00 52.30 H new ATOM 0 HG3 LYS A 14 -1.814 14.567 -16.578 1.00 52.30 H new ATOM 0 HD2 LYS A 14 -0.027 13.156 -17.497 1.00 34.25 H new ATOM 0 HD3 LYS A 14 -1.089 11.762 -17.515 1.00 34.25 H new ATOM 0 HE2 LYS A 14 -2.016 14.220 -18.968 1.00 61.24 H new ATOM 0 HE3 LYS A 14 -0.698 13.312 -19.683 1.00 61.24 H new ATOM 0 HZ1 LYS A 14 -2.833 12.548 -20.498 1.00 21.21 H new ATOM 0 HZ2 LYS A 14 -2.075 11.313 -19.614 1.00 21.21 H new ATOM 0 HZ3 LYS A 14 -3.351 12.193 -18.921 1.00 21.21 H new ATOM 203 N ARG A 15 -3.836 14.218 -13.490 1.00 35.12 N ATOM 204 CA ARG A 15 -5.160 14.822 -13.411 1.00 44.41 C ATOM 205 C ARG A 15 -5.160 16.008 -12.451 1.00 34.00 C ATOM 206 O ARG A 15 -5.668 17.082 -12.775 1.00 14.45 O ATOM 207 CB ARG A 15 -6.192 13.787 -12.960 1.00 22.52 C ATOM 208 CG ARG A 15 -7.536 13.924 -13.653 1.00 14.41 C ATOM 209 CD ARG A 15 -7.570 13.153 -14.962 1.00 64.55 C ATOM 210 NE ARG A 15 -8.415 13.803 -15.960 1.00 21.22 N ATOM 211 CZ ARG A 15 -8.340 13.553 -17.263 1.00 21.10 C ATOM 212 NH1 ARG A 15 -7.463 12.671 -17.722 1.00 43.22 N ATOM 213 NH2 ARG A 15 -9.143 14.186 -18.108 1.00 61.51 N ATOM 0 H ARG A 15 -3.766 13.297 -13.058 1.00 35.12 H new ATOM 0 HA ARG A 15 -5.427 15.181 -14.405 1.00 44.41 H new ATOM 0 HB2 ARG A 15 -5.797 12.788 -13.146 1.00 22.52 H new ATOM 0 HB3 ARG A 15 -6.337 13.877 -11.883 1.00 22.52 H new ATOM 0 HG2 ARG A 15 -8.325 13.560 -12.995 1.00 14.41 H new ATOM 0 HG3 ARG A 15 -7.742 14.977 -13.845 1.00 14.41 H new ATOM 0 HD2 ARG A 15 -6.557 13.057 -15.352 1.00 64.55 H new ATOM 0 HD3 ARG A 15 -7.938 12.143 -14.778 1.00 64.55 H new ATOM 0 HE ARG A 15 -9.101 14.487 -15.639 1.00 21.22 H new ATOM 0 HH11 ARG A 15 -6.844 12.183 -17.075 1.00 43.22 H new ATOM 0 HH12 ARG A 15 -7.407 12.481 -18.723 1.00 43.22 H new ATOM 0 HH21 ARG A 15 -9.819 14.865 -17.758 1.00 61.51 H new ATOM 0 HH22 ARG A 15 -9.085 13.994 -19.108 1.00 61.51 H new ATOM 227 N CYS A 16 -4.588 15.806 -11.269 1.00 74.43 N ATOM 228 CA CYS A 16 -4.524 16.857 -10.260 1.00 23.43 C ATOM 229 C CYS A 16 -3.640 18.008 -10.730 1.00 63.43 C ATOM 230 O CYS A 16 -3.801 19.147 -10.291 1.00 4.21 O ATOM 231 CB CYS A 16 -3.991 16.296 -8.941 1.00 31.33 C ATOM 232 SG CYS A 16 -3.882 17.514 -7.610 1.00 43.52 S ATOM 0 H CYS A 16 -4.162 14.924 -10.986 1.00 74.43 H new ATOM 0 HA CYS A 16 -5.533 17.237 -10.103 1.00 23.43 H new ATOM 0 HB2 CYS A 16 -4.637 15.479 -8.619 1.00 31.33 H new ATOM 0 HB3 CYS A 16 -3.002 15.872 -9.113 1.00 31.33 H new ATOM 0 HG CYS A 16 -3.715 18.699 -8.119 1.00 43.52 H new ATOM 238 N SER A 17 -2.706 17.702 -11.625 1.00 13.53 N ATOM 239 CA SER A 17 -1.792 18.711 -12.151 1.00 34.52 C ATOM 240 C SER A 17 -2.562 19.835 -12.838 1.00 21.41 C ATOM 241 O SER A 17 -2.053 20.944 -12.992 1.00 74.02 O ATOM 242 CB SER A 17 -0.810 18.074 -13.136 1.00 23.31 C ATOM 243 OG SER A 17 -0.421 18.998 -14.137 1.00 2.24 O ATOM 0 H SER A 17 -2.562 16.765 -12.001 1.00 13.53 H new ATOM 0 HA SER A 17 -1.235 19.134 -11.315 1.00 34.52 H new ATOM 0 HB2 SER A 17 0.071 17.722 -12.600 1.00 23.31 H new ATOM 0 HB3 SER A 17 -1.270 17.202 -13.601 1.00 23.31 H new ATOM 0 HG SER A 17 0.208 18.567 -14.753 1.00 2.24 H new ATOM 249 N ASN A 18 -3.790 19.538 -13.247 1.00 55.41 N ATOM 250 CA ASN A 18 -4.632 20.524 -13.918 1.00 21.25 C ATOM 251 C ASN A 18 -5.562 21.212 -12.925 1.00 33.53 C ATOM 252 O ASN A 18 -6.626 21.707 -13.294 1.00 35.11 O ATOM 253 CB ASN A 18 -5.452 19.856 -15.024 1.00 4.32 C ATOM 254 CG ASN A 18 -4.581 19.139 -16.037 1.00 41.31 C ATOM 255 OD1 ASN A 18 -3.420 19.498 -16.239 1.00 51.43 O ATOM 256 ND2 ASN A 18 -5.138 18.119 -16.679 1.00 61.04 N ATOM 0 H ASN A 18 -4.225 18.624 -13.126 1.00 55.41 H new ATOM 0 HA ASN A 18 -3.982 21.278 -14.361 1.00 21.25 H new ATOM 0 HB2 ASN A 18 -6.147 19.144 -14.578 1.00 4.32 H new ATOM 0 HB3 ASN A 18 -6.052 20.610 -15.534 1.00 4.32 H new ATOM 0 HD21 ASN A 18 -4.601 17.598 -17.372 1.00 61.04 H new ATOM 0 HD22 ASN A 18 -6.103 17.857 -16.479 1.00 61.04 H new ATOM 263 N VAL A 19 -5.152 21.239 -11.660 1.00 53.02 N ATOM 264 CA VAL A 19 -5.948 21.868 -10.612 1.00 72.41 C ATOM 265 C VAL A 19 -5.354 23.211 -10.201 1.00 25.54 C ATOM 266 O VAL A 19 -4.166 23.305 -9.888 1.00 55.15 O ATOM 267 CB VAL A 19 -6.054 20.964 -9.369 1.00 53.12 C ATOM 268 CG1 VAL A 19 -6.854 21.654 -8.275 1.00 30.34 C ATOM 269 CG2 VAL A 19 -6.679 19.627 -9.736 1.00 54.30 C ATOM 0 H VAL A 19 -4.274 20.833 -11.337 1.00 53.02 H new ATOM 0 HA VAL A 19 -6.945 22.026 -11.024 1.00 72.41 H new ATOM 0 HB VAL A 19 -5.050 20.777 -8.989 1.00 53.12 H new ATOM 0 HG11 VAL A 19 -6.919 21.001 -7.405 1.00 30.34 H new ATOM 0 HG12 VAL A 19 -6.360 22.584 -7.995 1.00 30.34 H new ATOM 0 HG13 VAL A 19 -7.858 21.872 -8.640 1.00 30.34 H new ATOM 0 HG21 VAL A 19 -6.746 19.001 -8.847 1.00 54.30 H new ATOM 0 HG22 VAL A 19 -7.678 19.791 -10.141 1.00 54.30 H new ATOM 0 HG23 VAL A 19 -6.061 19.130 -10.484 1.00 54.30 H new ATOM 279 N ALA A 20 -6.186 24.247 -10.205 1.00 64.31 N ATOM 280 CA ALA A 20 -5.744 25.584 -9.830 1.00 25.52 C ATOM 281 C ALA A 20 -5.506 25.682 -8.327 1.00 42.02 C ATOM 282 O ALA A 20 -6.452 25.763 -7.544 1.00 11.43 O ATOM 283 CB ALA A 20 -6.763 26.621 -10.275 1.00 15.51 C ATOM 0 H ALA A 20 -7.171 24.186 -10.464 1.00 64.31 H new ATOM 0 HA ALA A 20 -4.798 25.782 -10.334 1.00 25.52 H new ATOM 0 HB1 ALA A 20 -6.420 27.615 -9.988 1.00 15.51 H new ATOM 0 HB2 ALA A 20 -6.879 26.576 -11.358 1.00 15.51 H new ATOM 0 HB3 ALA A 20 -7.722 26.417 -9.798 1.00 15.51 H new ATOM 289 N VAL A 21 -4.237 25.674 -7.931 1.00 52.52 N ATOM 290 CA VAL A 21 -3.876 25.763 -6.522 1.00 22.14 C ATOM 291 C VAL A 21 -4.460 27.017 -5.882 1.00 54.23 C ATOM 292 O VAL A 21 -4.710 27.055 -4.678 1.00 2.00 O ATOM 293 CB VAL A 21 -2.347 25.770 -6.333 1.00 32.42 C ATOM 294 CG1 VAL A 21 -1.990 25.654 -4.859 1.00 41.30 C ATOM 295 CG2 VAL A 21 -1.708 24.646 -7.135 1.00 12.24 C ATOM 0 H VAL A 21 -3.442 25.607 -8.567 1.00 52.52 H new ATOM 0 HA VAL A 21 -4.292 24.882 -6.034 1.00 22.14 H new ATOM 0 HB VAL A 21 -1.956 26.718 -6.702 1.00 32.42 H new ATOM 0 HG11 VAL A 21 -0.906 25.661 -4.746 1.00 41.30 H new ATOM 0 HG12 VAL A 21 -2.417 26.496 -4.314 1.00 41.30 H new ATOM 0 HG13 VAL A 21 -2.391 24.722 -4.460 1.00 41.30 H new ATOM 0 HG21 VAL A 21 -0.628 24.665 -6.991 1.00 12.24 H new ATOM 0 HG22 VAL A 21 -2.103 23.688 -6.797 1.00 12.24 H new ATOM 0 HG23 VAL A 21 -1.935 24.779 -8.193 1.00 12.24 H new ATOM 375 N LYS A 28 -1.271 29.250 -10.988 1.00 3.50 N ATOM 376 CA LYS A 28 -0.394 28.136 -10.651 1.00 30.45 C ATOM 377 C LYS A 28 -1.201 26.865 -10.403 1.00 23.44 C ATOM 378 O LYS A 28 -2.209 26.885 -9.697 1.00 23.44 O ATOM 379 CB LYS A 28 0.440 28.472 -9.412 1.00 12.22 C ATOM 380 CG LYS A 28 1.820 29.019 -9.738 1.00 15.11 C ATOM 381 CD LYS A 28 2.821 27.901 -9.974 1.00 70.21 C ATOM 382 CE LYS A 28 4.146 28.184 -9.283 1.00 64.43 C ATOM 383 NZ LYS A 28 5.265 27.416 -9.895 1.00 44.54 N ATOM 0 HA LYS A 28 0.274 27.964 -11.495 1.00 30.45 H new ATOM 0 HB2 LYS A 28 -0.098 29.203 -8.809 1.00 12.22 H new ATOM 0 HB3 LYS A 28 0.549 27.575 -8.803 1.00 12.22 H new ATOM 0 HG2 LYS A 28 1.762 29.650 -10.625 1.00 15.11 H new ATOM 0 HG3 LYS A 28 2.165 29.651 -8.919 1.00 15.11 H new ATOM 0 HD2 LYS A 28 2.411 26.961 -9.606 1.00 70.21 H new ATOM 0 HD3 LYS A 28 2.986 27.779 -11.044 1.00 70.21 H new ATOM 0 HE2 LYS A 28 4.364 29.250 -9.339 1.00 64.43 H new ATOM 0 HE3 LYS A 28 4.066 27.930 -8.226 1.00 64.43 H new ATOM 0 HZ1 LYS A 28 6.151 27.636 -9.396 1.00 44.54 H new ATOM 0 HZ2 LYS A 28 5.069 26.397 -9.819 1.00 44.54 H new ATOM 0 HZ3 LYS A 28 5.358 27.677 -10.897 1.00 44.54 H new ATOM 397 N LYS A 29 -0.750 25.760 -10.989 1.00 1.43 N ATOM 398 CA LYS A 29 -1.427 24.479 -10.830 1.00 42.12 C ATOM 399 C LYS A 29 -0.583 23.517 -10.001 1.00 22.23 C ATOM 400 O LYS A 29 0.621 23.715 -9.835 1.00 61.44 O ATOM 401 CB LYS A 29 -1.724 23.863 -12.199 1.00 14.41 C ATOM 402 CG LYS A 29 -0.484 23.382 -12.932 1.00 12.01 C ATOM 403 CD LYS A 29 -0.724 23.284 -14.430 1.00 31.54 C ATOM 404 CE LYS A 29 0.499 22.745 -15.155 1.00 61.42 C ATOM 405 NZ LYS A 29 0.151 21.617 -16.064 1.00 21.13 N ATOM 0 H LYS A 29 0.082 25.727 -11.578 1.00 1.43 H new ATOM 0 HA LYS A 29 -2.366 24.655 -10.306 1.00 42.12 H new ATOM 0 HB2 LYS A 29 -2.408 23.024 -12.070 1.00 14.41 H new ATOM 0 HB3 LYS A 29 -2.237 24.600 -12.816 1.00 14.41 H new ATOM 0 HG2 LYS A 29 0.342 24.066 -12.739 1.00 12.01 H new ATOM 0 HG3 LYS A 29 -0.187 22.407 -12.546 1.00 12.01 H new ATOM 0 HD2 LYS A 29 -1.578 22.634 -14.621 1.00 31.54 H new ATOM 0 HD3 LYS A 29 -0.978 24.268 -14.824 1.00 31.54 H new ATOM 0 HE2 LYS A 29 0.963 23.546 -15.731 1.00 61.42 H new ATOM 0 HE3 LYS A 29 1.236 22.410 -14.425 1.00 61.42 H new ATOM 0 HZ1 LYS A 29 0.946 21.433 -16.709 1.00 21.13 H new ATOM 0 HZ2 LYS A 29 -0.043 20.764 -15.501 1.00 21.13 H new ATOM 0 HZ3 LYS A 29 -0.694 21.865 -16.618 1.00 21.13 H new ATOM 419 N PHE A 30 -1.222 22.473 -9.483 1.00 21.24 N ATOM 420 CA PHE A 30 -0.528 21.479 -8.670 1.00 75.24 C ATOM 421 C PHE A 30 0.618 20.843 -9.450 1.00 41.34 C ATOM 422 O PHE A 30 0.865 21.189 -10.605 1.00 4.32 O ATOM 423 CB PHE A 30 -1.507 20.397 -8.207 1.00 13.25 C ATOM 424 CG PHE A 30 -1.946 20.557 -6.779 1.00 41.33 C ATOM 425 CD1 PHE A 30 -1.014 20.604 -5.756 1.00 32.04 C ATOM 426 CD2 PHE A 30 -3.290 20.662 -6.462 1.00 72.43 C ATOM 427 CE1 PHE A 30 -1.414 20.752 -4.441 1.00 74.51 C ATOM 428 CE2 PHE A 30 -3.697 20.810 -5.150 1.00 21.00 C ATOM 429 CZ PHE A 30 -2.758 20.854 -4.138 1.00 0.12 C ATOM 0 H PHE A 30 -2.218 22.293 -9.611 1.00 21.24 H new ATOM 0 HA PHE A 30 -0.114 21.984 -7.797 1.00 75.24 H new ATOM 0 HB2 PHE A 30 -2.385 20.412 -8.853 1.00 13.25 H new ATOM 0 HB3 PHE A 30 -1.040 19.420 -8.328 1.00 13.25 H new ATOM 0 HD1 PHE A 30 0.038 20.524 -5.988 1.00 32.04 H new ATOM 0 HD2 PHE A 30 -4.028 20.628 -7.249 1.00 72.43 H new ATOM 0 HE1 PHE A 30 -0.677 20.788 -3.652 1.00 74.51 H new ATOM 0 HE2 PHE A 30 -4.748 20.891 -4.916 1.00 21.00 H new ATOM 0 HZ PHE A 30 -3.074 20.968 -3.112 1.00 0.12 H new ATOM 439 N GLY A 31 1.317 19.910 -8.809 1.00 42.35 N ATOM 440 CA GLY A 31 2.429 19.241 -9.457 1.00 64.01 C ATOM 441 C GLY A 31 2.969 18.086 -8.637 1.00 74.04 C ATOM 442 O GLY A 31 2.349 17.670 -7.658 1.00 1.01 O ATOM 0 H GLY A 31 1.132 19.606 -7.853 1.00 42.35 H new ATOM 0 HA2 GLY A 31 2.109 18.872 -10.432 1.00 64.01 H new ATOM 0 HA3 GLY A 31 3.228 19.961 -9.635 1.00 64.01 H new ATOM 446 N GLU A 32 4.124 17.566 -9.037 1.00 42.10 N ATOM 447 CA GLU A 32 4.744 16.449 -8.333 1.00 11.22 C ATOM 448 C GLU A 32 5.438 16.928 -7.061 1.00 23.22 C ATOM 449 O GLU A 32 5.100 16.499 -5.958 1.00 40.12 O ATOM 450 CB GLU A 32 5.751 15.740 -9.241 1.00 3.23 C ATOM 451 CG GLU A 32 5.233 15.493 -10.647 1.00 25.30 C ATOM 452 CD GLU A 32 5.389 14.048 -11.080 1.00 62.44 C ATOM 453 OE1 GLU A 32 6.456 13.460 -10.809 1.00 5.11 O ATOM 454 OE2 GLU A 32 4.445 13.505 -11.691 1.00 72.13 O ATOM 0 H GLU A 32 4.650 17.900 -9.845 1.00 42.10 H new ATOM 0 HA GLU A 32 3.959 15.746 -8.056 1.00 11.22 H new ATOM 0 HB2 GLU A 32 6.660 16.338 -9.298 1.00 3.23 H new ATOM 0 HB3 GLU A 32 6.025 14.786 -8.791 1.00 3.23 H new ATOM 0 HG2 GLU A 32 4.180 15.772 -10.697 1.00 25.30 H new ATOM 0 HG3 GLU A 32 5.767 16.137 -11.345 1.00 25.30 H new ATOM 461 N GLY A 33 6.412 17.818 -7.223 1.00 61.34 N ATOM 462 CA GLY A 33 7.139 18.340 -6.081 1.00 62.35 C ATOM 463 C GLY A 33 6.223 18.957 -5.044 1.00 1.24 C ATOM 464 O GLY A 33 6.391 18.734 -3.845 1.00 43.41 O ATOM 0 H GLY A 33 6.711 18.187 -8.126 1.00 61.34 H new ATOM 0 HA2 GLY A 33 7.713 17.536 -5.621 1.00 62.35 H new ATOM 0 HA3 GLY A 33 7.854 19.089 -6.421 1.00 62.35 H new ATOM 468 N ASN A 34 5.252 19.739 -5.505 1.00 12.23 N ATOM 469 CA ASN A 34 4.308 20.394 -4.607 1.00 73.55 C ATOM 470 C ASN A 34 3.510 19.365 -3.812 1.00 32.02 C ATOM 471 O ASN A 34 3.406 19.455 -2.588 1.00 41.03 O ATOM 472 CB ASN A 34 3.355 21.290 -5.401 1.00 61.33 C ATOM 473 CG ASN A 34 3.344 22.718 -4.892 1.00 43.51 C ATOM 474 OD1 ASN A 34 2.284 23.294 -4.647 1.00 65.22 O ATOM 475 ND2 ASN A 34 4.529 23.297 -4.732 1.00 13.21 N ATOM 0 H ASN A 34 5.098 19.934 -6.494 1.00 12.23 H new ATOM 0 HA ASN A 34 4.876 21.007 -3.908 1.00 73.55 H new ATOM 0 HB2 ASN A 34 3.646 21.284 -6.451 1.00 61.33 H new ATOM 0 HB3 ASN A 34 2.346 20.880 -5.347 1.00 61.33 H new ATOM 0 HD21 ASN A 34 4.586 24.257 -4.393 1.00 13.21 H new ATOM 0 HD22 ASN A 34 5.382 22.781 -4.948 1.00 13.21 H new ATOM 482 N PHE A 35 2.950 18.386 -4.515 1.00 12.34 N ATOM 483 CA PHE A 35 2.162 17.339 -3.874 1.00 1.11 C ATOM 484 C PHE A 35 2.941 16.694 -2.731 1.00 41.20 C ATOM 485 O PHE A 35 2.380 16.387 -1.679 1.00 2.15 O ATOM 486 CB PHE A 35 1.761 16.275 -4.898 1.00 33.11 C ATOM 487 CG PHE A 35 1.191 15.031 -4.277 1.00 11.12 C ATOM 488 CD1 PHE A 35 -0.045 15.056 -3.654 1.00 55.23 C ATOM 489 CD2 PHE A 35 1.894 13.838 -4.317 1.00 30.43 C ATOM 490 CE1 PHE A 35 -0.573 13.913 -3.083 1.00 31.25 C ATOM 491 CE2 PHE A 35 1.372 12.691 -3.748 1.00 13.11 C ATOM 492 CZ PHE A 35 0.138 12.730 -3.129 1.00 32.12 C ATOM 0 H PHE A 35 3.027 18.296 -5.528 1.00 12.34 H new ATOM 0 HA PHE A 35 1.262 17.796 -3.463 1.00 1.11 H new ATOM 0 HB2 PHE A 35 1.027 16.699 -5.583 1.00 33.11 H new ATOM 0 HB3 PHE A 35 2.634 16.007 -5.493 1.00 33.11 H new ATOM 0 HD1 PHE A 35 -0.603 15.980 -3.614 1.00 55.23 H new ATOM 0 HD2 PHE A 35 2.860 13.803 -4.798 1.00 30.43 H new ATOM 0 HE1 PHE A 35 -1.539 13.945 -2.602 1.00 31.25 H new ATOM 0 HE2 PHE A 35 1.928 11.766 -3.788 1.00 13.11 H new ATOM 0 HZ PHE A 35 -0.271 11.836 -2.681 1.00 32.12 H new ATOM 502 N ARG A 36 4.237 16.491 -2.948 1.00 72.35 N ATOM 503 CA ARG A 36 5.093 15.879 -1.939 1.00 14.31 C ATOM 504 C ARG A 36 5.166 16.751 -0.688 1.00 33.21 C ATOM 505 O ARG A 36 4.894 16.288 0.420 1.00 0.32 O ATOM 506 CB ARG A 36 6.499 15.656 -2.499 1.00 34.10 C ATOM 507 CG ARG A 36 6.510 15.043 -3.890 1.00 54.04 C ATOM 508 CD ARG A 36 7.419 13.826 -3.956 1.00 51.50 C ATOM 509 NE ARG A 36 8.792 14.189 -4.298 1.00 24.51 N ATOM 510 CZ ARG A 36 9.178 14.536 -5.520 1.00 74.22 C ATOM 511 NH1 ARG A 36 8.298 14.571 -6.512 1.00 70.52 N ATOM 512 NH2 ARG A 36 10.445 14.852 -5.753 1.00 65.10 N ATOM 0 H ARG A 36 4.716 16.741 -3.813 1.00 72.35 H new ATOM 0 HA ARG A 36 4.660 14.916 -1.667 1.00 14.31 H new ATOM 0 HB2 ARG A 36 7.025 16.610 -2.527 1.00 34.10 H new ATOM 0 HB3 ARG A 36 7.052 15.007 -1.821 1.00 34.10 H new ATOM 0 HG2 ARG A 36 5.496 14.757 -4.171 1.00 54.04 H new ATOM 0 HG3 ARG A 36 6.843 15.787 -4.614 1.00 54.04 H new ATOM 0 HD2 ARG A 36 7.408 13.312 -2.995 1.00 51.50 H new ATOM 0 HD3 ARG A 36 7.034 13.125 -4.696 1.00 51.50 H new ATOM 0 HE ARG A 36 9.493 14.175 -3.557 1.00 24.51 H new ATOM 0 HH11 ARG A 36 7.322 14.331 -6.337 1.00 70.52 H new ATOM 0 HH12 ARG A 36 8.597 14.838 -7.450 1.00 70.52 H new ATOM 0 HH21 ARG A 36 11.125 14.829 -4.993 1.00 65.10 H new ATOM 0 HH22 ARG A 36 10.740 15.118 -6.692 1.00 65.10 H new ATOM 526 N TRP A 37 5.534 18.014 -0.873 1.00 74.33 N ATOM 527 CA TRP A 37 5.643 18.949 0.240 1.00 11.42 C ATOM 528 C TRP A 37 4.358 18.970 1.061 1.00 71.42 C ATOM 529 O TRP A 37 4.389 19.184 2.272 1.00 75.42 O ATOM 530 CB TRP A 37 5.954 20.355 -0.277 1.00 21.44 C ATOM 531 CG TRP A 37 5.768 21.423 0.758 1.00 60.44 C ATOM 532 CD1 TRP A 37 6.742 22.012 1.513 1.00 21.43 C ATOM 533 CD2 TRP A 37 4.532 22.028 1.151 1.00 41.22 C ATOM 534 NE1 TRP A 37 6.186 22.946 2.352 1.00 73.04 N ATOM 535 CE2 TRP A 37 4.831 22.976 2.150 1.00 63.31 C ATOM 536 CE3 TRP A 37 3.201 21.863 0.757 1.00 62.13 C ATOM 537 CZ2 TRP A 37 3.847 23.753 2.757 1.00 64.54 C ATOM 538 CZ3 TRP A 37 2.227 22.635 1.361 1.00 63.54 C ATOM 539 CH2 TRP A 37 2.554 23.570 2.351 1.00 75.14 C ATOM 0 H TRP A 37 5.762 18.414 -1.783 1.00 74.33 H new ATOM 0 HA TRP A 37 6.458 18.616 0.883 1.00 11.42 H new ATOM 0 HB2 TRP A 37 6.983 20.383 -0.637 1.00 21.44 H new ATOM 0 HB3 TRP A 37 5.312 20.571 -1.131 1.00 21.44 H new ATOM 0 HD1 TRP A 37 7.795 21.778 1.458 1.00 21.43 H new ATOM 0 HE1 TRP A 37 6.699 23.524 3.018 1.00 73.04 H new ATOM 0 HE3 TRP A 37 2.939 21.145 -0.006 1.00 62.13 H new ATOM 0 HZ2 TRP A 37 4.096 24.474 3.521 1.00 64.54 H new ATOM 0 HZ3 TRP A 37 1.195 22.515 1.064 1.00 63.54 H new ATOM 0 HH2 TRP A 37 1.769 24.158 2.803 1.00 75.14 H new ATOM 550 N ALA A 38 3.230 18.747 0.394 1.00 23.34 N ATOM 551 CA ALA A 38 1.936 18.737 1.064 1.00 42.03 C ATOM 552 C ALA A 38 1.678 17.396 1.742 1.00 42.14 C ATOM 553 O ALA A 38 1.583 17.317 2.967 1.00 5.21 O ATOM 554 CB ALA A 38 0.826 19.051 0.071 1.00 62.24 C ATOM 0 H ALA A 38 3.187 18.571 -0.610 1.00 23.34 H new ATOM 0 HA ALA A 38 1.948 19.507 1.835 1.00 42.03 H new ATOM 0 HB1 ALA A 38 -0.135 19.040 0.585 1.00 62.24 H new ATOM 0 HB2 ALA A 38 0.994 20.036 -0.363 1.00 62.24 H new ATOM 0 HB3 ALA A 38 0.823 18.301 -0.720 1.00 62.24 H new ATOM 560 N ILE A 39 1.564 16.344 0.938 1.00 51.21 N ATOM 561 CA ILE A 39 1.318 15.006 1.461 1.00 54.54 C ATOM 562 C ILE A 39 2.295 14.665 2.581 1.00 41.24 C ATOM 563 O ILE A 39 1.948 13.960 3.528 1.00 63.54 O ATOM 564 CB ILE A 39 1.427 13.940 0.356 1.00 60.55 C ATOM 565 CG1 ILE A 39 0.946 12.584 0.875 1.00 34.54 C ATOM 566 CG2 ILE A 39 2.860 13.843 -0.146 1.00 21.40 C ATOM 567 CD1 ILE A 39 0.746 11.555 -0.216 1.00 33.32 C ATOM 0 H ILE A 39 1.638 16.393 -0.078 1.00 51.21 H new ATOM 0 HA ILE A 39 0.302 15.004 1.856 1.00 54.54 H new ATOM 0 HB ILE A 39 0.789 14.235 -0.477 1.00 60.55 H new ATOM 0 HG12 ILE A 39 1.670 12.202 1.595 1.00 34.54 H new ATOM 0 HG13 ILE A 39 0.006 12.721 1.410 1.00 34.54 H new ATOM 0 HG21 ILE A 39 2.921 13.085 -0.927 1.00 21.40 H new ATOM 0 HG22 ILE A 39 3.170 14.807 -0.550 1.00 21.40 H new ATOM 0 HG23 ILE A 39 3.517 13.568 0.679 1.00 21.40 H new ATOM 0 HD11 ILE A 39 0.405 10.619 0.225 1.00 33.32 H new ATOM 0 HD12 ILE A 39 -0.000 11.916 -0.924 1.00 33.32 H new ATOM 0 HD13 ILE A 39 1.689 11.388 -0.736 1.00 33.32 H new ATOM 579 N ARG A 40 3.518 15.171 2.464 1.00 10.14 N ATOM 580 CA ARG A 40 4.547 14.920 3.467 1.00 51.35 C ATOM 581 C ARG A 40 4.295 15.748 4.724 1.00 53.52 C ATOM 582 O ARG A 40 4.188 15.207 5.824 1.00 44.51 O ATOM 583 CB ARG A 40 5.931 15.243 2.900 1.00 73.32 C ATOM 584 CG ARG A 40 7.075 14.708 3.745 1.00 74.20 C ATOM 585 CD ARG A 40 8.353 15.501 3.519 1.00 33.11 C ATOM 586 NE ARG A 40 9.523 14.634 3.412 1.00 31.52 N ATOM 587 CZ ARG A 40 10.772 15.065 3.551 1.00 53.30 C ATOM 588 NH1 ARG A 40 11.011 16.345 3.801 1.00 74.31 N ATOM 589 NH2 ARG A 40 11.785 14.215 3.440 1.00 12.20 N ATOM 0 H ARG A 40 3.821 15.757 1.686 1.00 10.14 H new ATOM 0 HA ARG A 40 4.508 13.864 3.735 1.00 51.35 H new ATOM 0 HB2 ARG A 40 6.008 14.829 1.895 1.00 73.32 H new ATOM 0 HB3 ARG A 40 6.033 16.324 2.808 1.00 73.32 H new ATOM 0 HG2 ARG A 40 6.801 14.750 4.799 1.00 74.20 H new ATOM 0 HG3 ARG A 40 7.248 13.660 3.503 1.00 74.20 H new ATOM 0 HD2 ARG A 40 8.256 16.093 2.609 1.00 33.11 H new ATOM 0 HD3 ARG A 40 8.495 16.202 4.342 1.00 33.11 H new ATOM 0 HE ARG A 40 9.373 13.643 3.220 1.00 31.52 H new ATOM 0 HH11 ARG A 40 10.235 17.001 3.887 1.00 74.31 H new ATOM 0 HH12 ARG A 40 11.971 16.673 3.907 1.00 74.31 H new ATOM 0 HH21 ARG A 40 11.605 13.230 3.248 1.00 12.20 H new ATOM 0 HH22 ARG A 40 12.743 14.547 3.547 1.00 12.20 H new ATOM 603 N MET A 41 4.200 17.062 4.551 1.00 35.04 N ATOM 604 CA MET A 41 3.959 17.965 5.672 1.00 64.54 C ATOM 605 C MET A 41 2.702 17.560 6.436 1.00 61.34 C ATOM 606 O MET A 41 2.649 17.662 7.660 1.00 24.03 O ATOM 607 CB MET A 41 3.827 19.405 5.175 1.00 24.10 C ATOM 608 CG MET A 41 3.617 20.416 6.291 1.00 31.40 C ATOM 609 SD MET A 41 4.835 21.745 6.263 1.00 43.01 S ATOM 610 CE MET A 41 6.320 20.852 6.715 1.00 1.00 C ATOM 0 H MET A 41 4.286 17.526 3.647 1.00 35.04 H new ATOM 0 HA MET A 41 4.811 17.899 6.349 1.00 64.54 H new ATOM 0 HB2 MET A 41 4.725 19.672 4.618 1.00 24.10 H new ATOM 0 HB3 MET A 41 2.990 19.465 4.479 1.00 24.10 H new ATOM 0 HG2 MET A 41 2.618 20.843 6.206 1.00 31.40 H new ATOM 0 HG3 MET A 41 3.665 19.905 7.253 1.00 31.40 H new ATOM 0 HE1 MET A 41 7.129 21.560 6.897 1.00 1.00 H new ATOM 0 HE2 MET A 41 6.135 20.272 7.619 1.00 1.00 H new ATOM 0 HE3 MET A 41 6.601 20.180 5.904 1.00 1.00 H new ATOM 620 N ALA A 42 1.693 17.101 5.703 1.00 72.11 N ATOM 621 CA ALA A 42 0.437 16.679 6.311 1.00 2.44 C ATOM 622 C ALA A 42 0.618 15.391 7.108 1.00 51.54 C ATOM 623 O ALA A 42 0.112 15.263 8.222 1.00 3.51 O ATOM 624 CB ALA A 42 -0.632 16.497 5.244 1.00 22.23 C ATOM 0 H ALA A 42 1.721 17.012 4.687 1.00 72.11 H new ATOM 0 HA ALA A 42 0.116 17.460 7.001 1.00 2.44 H new ATOM 0 HB1 ALA A 42 -1.564 16.182 5.713 1.00 22.23 H new ATOM 0 HB2 ALA A 42 -0.789 17.441 4.722 1.00 22.23 H new ATOM 0 HB3 ALA A 42 -0.309 15.738 4.532 1.00 22.23 H new ATOM 630 N ASN A 43 1.343 14.440 6.529 1.00 53.14 N ATOM 631 CA ASN A 43 1.588 13.160 7.185 1.00 4.42 C ATOM 632 C ASN A 43 2.292 13.362 8.523 1.00 2.41 C ATOM 633 O ASN A 43 1.854 12.846 9.551 1.00 32.11 O ATOM 634 CB ASN A 43 2.431 12.256 6.284 1.00 4.40 C ATOM 635 CG ASN A 43 1.634 11.685 5.128 1.00 54.25 C ATOM 636 OD1 ASN A 43 0.407 11.598 5.189 1.00 75.21 O ATOM 637 ND2 ASN A 43 2.328 11.293 4.065 1.00 32.04 N ATOM 0 H ASN A 43 1.771 14.531 5.608 1.00 53.14 H new ATOM 0 HA ASN A 43 0.625 12.683 7.369 1.00 4.42 H new ATOM 0 HB2 ASN A 43 3.276 12.823 5.894 1.00 4.40 H new ATOM 0 HB3 ASN A 43 2.842 11.439 6.877 1.00 4.40 H new ATOM 0 HD21 ASN A 43 1.845 10.902 3.256 1.00 32.04 H new ATOM 0 HD22 ASN A 43 3.344 11.383 4.057 1.00 32.04 H new ATOM 644 N VAL A 44 3.385 14.119 8.503 1.00 60.32 N ATOM 645 CA VAL A 44 4.149 14.390 9.715 1.00 14.51 C ATOM 646 C VAL A 44 3.304 15.140 10.739 1.00 4.25 C ATOM 647 O VAL A 44 3.417 14.905 11.943 1.00 4.51 O ATOM 648 CB VAL A 44 5.414 15.214 9.408 1.00 65.33 C ATOM 649 CG1 VAL A 44 6.217 15.452 10.677 1.00 14.41 C ATOM 650 CG2 VAL A 44 6.261 14.514 8.356 1.00 5.14 C ATOM 0 H VAL A 44 3.761 14.555 7.661 1.00 60.32 H new ATOM 0 HA VAL A 44 4.444 13.425 10.127 1.00 14.51 H new ATOM 0 HB VAL A 44 5.109 16.183 9.012 1.00 65.33 H new ATOM 0 HG11 VAL A 44 7.107 16.036 10.440 1.00 14.41 H new ATOM 0 HG12 VAL A 44 5.606 15.997 11.397 1.00 14.41 H new ATOM 0 HG13 VAL A 44 6.514 14.494 11.104 1.00 14.41 H new ATOM 0 HG21 VAL A 44 7.151 15.109 8.150 1.00 5.14 H new ATOM 0 HG22 VAL A 44 6.558 13.532 8.723 1.00 5.14 H new ATOM 0 HG23 VAL A 44 5.682 14.399 7.440 1.00 5.14 H new ATOM 660 N SER A 45 2.460 16.044 10.254 1.00 54.12 N ATOM 661 CA SER A 45 1.598 16.832 11.128 1.00 33.41 C ATOM 662 C SER A 45 0.592 15.937 11.849 1.00 4.34 C ATOM 663 O SER A 45 0.083 16.288 12.915 1.00 64.04 O ATOM 664 CB SER A 45 0.859 17.901 10.322 1.00 1.44 C ATOM 665 OG SER A 45 -0.294 17.365 9.699 1.00 32.01 O ATOM 0 H SER A 45 2.354 16.249 9.261 1.00 54.12 H new ATOM 0 HA SER A 45 2.226 17.319 11.874 1.00 33.41 H new ATOM 0 HB2 SER A 45 0.572 18.722 10.979 1.00 1.44 H new ATOM 0 HB3 SER A 45 1.525 18.315 9.565 1.00 1.44 H new ATOM 0 HG SER A 45 -0.103 16.457 9.383 1.00 32.01 H new ATOM 671 N THR A 46 0.311 14.779 11.260 1.00 40.45 N ATOM 672 CA THR A 46 -0.634 13.835 11.843 1.00 32.23 C ATOM 673 C THR A 46 0.091 12.739 12.615 1.00 63.10 C ATOM 674 O THR A 46 -0.439 11.645 12.805 1.00 54.54 O ATOM 675 CB THR A 46 -1.519 13.187 10.763 1.00 70.35 C ATOM 676 OG1 THR A 46 -0.742 12.912 9.591 1.00 13.51 O ATOM 677 CG2 THR A 46 -2.685 14.095 10.402 1.00 11.30 C ATOM 0 H THR A 46 0.725 14.472 10.379 1.00 40.45 H new ATOM 0 HA THR A 46 -1.266 14.401 12.527 1.00 32.23 H new ATOM 0 HB THR A 46 -1.915 12.254 11.163 1.00 70.35 H new ATOM 0 HG1 THR A 46 0.148 12.597 9.855 1.00 13.51 H new ATOM 0 HG21 THR A 46 -3.296 13.616 9.637 1.00 11.30 H new ATOM 0 HG22 THR A 46 -3.292 14.278 11.289 1.00 11.30 H new ATOM 0 HG23 THR A 46 -2.304 15.042 10.021 1.00 11.30 H new ATOM 685 N GLY A 47 1.308 13.039 13.059 1.00 44.31 N ATOM 686 CA GLY A 47 2.085 12.067 13.805 1.00 0.24 C ATOM 687 C GLY A 47 2.192 10.736 13.091 1.00 65.55 C ATOM 688 O GLY A 47 2.339 9.692 13.725 1.00 33.25 O ATOM 0 H GLY A 47 1.769 13.937 12.915 1.00 44.31 H new ATOM 0 HA2 GLY A 47 3.085 12.463 13.979 1.00 0.24 H new ATOM 0 HA3 GLY A 47 1.628 11.915 14.783 1.00 0.24 H new ATOM 692 N ARG A 48 2.115 10.770 11.764 1.00 4.30 N ATOM 693 CA ARG A 48 2.201 9.556 10.961 1.00 55.13 C ATOM 694 C ARG A 48 3.514 9.508 10.187 1.00 44.15 C ATOM 695 O ARG A 48 4.136 10.540 9.936 1.00 34.13 O ATOM 696 CB ARG A 48 1.020 9.477 9.991 1.00 22.43 C ATOM 697 CG ARG A 48 0.289 8.146 10.030 1.00 73.25 C ATOM 698 CD ARG A 48 -0.985 8.185 9.199 1.00 44.14 C ATOM 699 NE ARG A 48 -2.053 7.386 9.795 1.00 4.31 N ATOM 700 CZ ARG A 48 -3.173 7.066 9.158 1.00 51.45 C ATOM 701 NH1 ARG A 48 -3.372 7.475 7.912 1.00 15.45 N ATOM 702 NH2 ARG A 48 -4.098 6.337 9.767 1.00 73.44 N ATOM 0 H ARG A 48 1.993 11.626 11.222 1.00 4.30 H new ATOM 0 HA ARG A 48 2.166 8.700 11.635 1.00 55.13 H new ATOM 0 HB2 ARG A 48 0.316 10.276 10.223 1.00 22.43 H new ATOM 0 HB3 ARG A 48 1.380 9.655 8.978 1.00 22.43 H new ATOM 0 HG2 ARG A 48 0.944 7.359 9.657 1.00 73.25 H new ATOM 0 HG3 ARG A 48 0.044 7.894 11.062 1.00 73.25 H new ATOM 0 HD2 ARG A 48 -1.319 9.217 9.096 1.00 44.14 H new ATOM 0 HD3 ARG A 48 -0.774 7.817 8.195 1.00 44.14 H new ATOM 0 HE ARG A 48 -1.932 7.056 10.753 1.00 4.31 H new ATOM 0 HH11 ARG A 48 -2.663 8.037 7.440 1.00 15.45 H new ATOM 0 HH12 ARG A 48 -4.234 7.227 7.425 1.00 15.45 H new ATOM 0 HH21 ARG A 48 -3.949 6.022 10.726 1.00 73.44 H new ATOM 0 HH22 ARG A 48 -4.958 6.092 9.277 1.00 73.44 H new ATOM 716 N GLU A 49 3.930 8.303 9.811 1.00 60.43 N ATOM 717 CA GLU A 49 5.170 8.121 9.066 1.00 65.33 C ATOM 718 C GLU A 49 5.209 9.033 7.843 1.00 11.02 C ATOM 719 O GLU A 49 4.179 9.473 7.332 1.00 32.34 O ATOM 720 CB GLU A 49 5.320 6.661 8.632 1.00 43.44 C ATOM 721 CG GLU A 49 4.044 6.058 8.068 1.00 15.40 C ATOM 722 CD GLU A 49 4.270 4.702 7.430 1.00 3.34 C ATOM 723 OE1 GLU A 49 3.577 4.390 6.440 1.00 63.34 O ATOM 724 OE2 GLU A 49 5.140 3.953 7.922 1.00 22.51 O ATOM 0 H GLU A 49 3.427 7.438 10.010 1.00 60.43 H new ATOM 0 HA GLU A 49 6.000 8.385 9.721 1.00 65.33 H new ATOM 0 HB2 GLU A 49 6.107 6.593 7.880 1.00 43.44 H new ATOM 0 HB3 GLU A 49 5.645 6.068 9.487 1.00 43.44 H new ATOM 0 HG2 GLU A 49 3.309 5.961 8.867 1.00 15.40 H new ATOM 0 HG3 GLU A 49 3.622 6.738 7.327 1.00 15.40 H new ATOM 731 N PRO A 50 6.427 9.325 7.364 1.00 42.22 N ATOM 732 CA PRO A 50 6.632 10.188 6.196 1.00 14.01 C ATOM 733 C PRO A 50 6.171 9.529 4.900 1.00 11.54 C ATOM 734 O PRO A 50 5.700 10.201 3.984 1.00 21.20 O ATOM 735 CB PRO A 50 8.146 10.406 6.177 1.00 21.21 C ATOM 736 CG PRO A 50 8.709 9.217 6.876 1.00 2.15 C ATOM 737 CD PRO A 50 7.698 8.837 7.923 1.00 60.43 C ATOM 0 HA PRO A 50 6.056 11.111 6.265 1.00 14.01 H new ATOM 0 HB2 PRO A 50 8.522 10.480 5.157 1.00 21.21 H new ATOM 0 HB3 PRO A 50 8.419 11.330 6.686 1.00 21.21 H new ATOM 0 HG2 PRO A 50 8.876 8.396 6.178 1.00 2.15 H new ATOM 0 HG3 PRO A 50 9.672 9.450 7.330 1.00 2.15 H new ATOM 0 HD2 PRO A 50 7.677 7.760 8.089 1.00 60.43 H new ATOM 0 HD3 PRO A 50 7.920 9.303 8.883 1.00 60.43 H new ATOM 745 N GLY A 51 6.311 8.209 4.831 1.00 21.42 N ATOM 746 CA GLY A 51 5.905 7.480 3.643 1.00 14.33 C ATOM 747 C GLY A 51 4.445 7.076 3.682 1.00 42.41 C ATOM 748 O GLY A 51 4.108 5.919 3.436 1.00 73.01 O ATOM 0 H GLY A 51 6.698 7.631 5.577 1.00 21.42 H new ATOM 0 HA2 GLY A 51 6.085 8.097 2.763 1.00 14.33 H new ATOM 0 HA3 GLY A 51 6.523 6.588 3.539 1.00 14.33 H new ATOM 752 N ASP A 52 3.576 8.033 3.992 1.00 23.22 N ATOM 753 CA ASP A 52 2.144 7.771 4.064 1.00 41.24 C ATOM 754 C ASP A 52 1.464 8.103 2.738 1.00 52.30 C ATOM 755 O ASP A 52 0.983 9.220 2.540 1.00 53.12 O ATOM 756 CB ASP A 52 1.510 8.583 5.193 1.00 12.11 C ATOM 757 CG ASP A 52 1.062 7.714 6.352 1.00 64.20 C ATOM 758 OD1 ASP A 52 1.613 7.872 7.462 1.00 42.53 O ATOM 759 OD2 ASP A 52 0.161 6.873 6.148 1.00 1.31 O ATOM 0 H ASP A 52 3.839 8.997 4.197 1.00 23.22 H new ATOM 0 HA ASP A 52 2.004 6.710 4.269 1.00 41.24 H new ATOM 0 HB2 ASP A 52 2.227 9.321 5.552 1.00 12.11 H new ATOM 0 HB3 ASP A 52 0.654 9.134 4.804 1.00 12.11 H new ATOM 764 N ILE A 53 1.431 7.129 1.836 1.00 53.44 N ATOM 765 CA ILE A 53 0.810 7.319 0.531 1.00 51.53 C ATOM 766 C ILE A 53 -0.182 6.202 0.226 1.00 51.23 C ATOM 767 O ILE A 53 0.099 5.282 -0.542 1.00 61.25 O ATOM 768 CB ILE A 53 1.864 7.374 -0.591 1.00 2.44 C ATOM 769 CG1 ILE A 53 2.860 8.506 -0.329 1.00 21.23 C ATOM 770 CG2 ILE A 53 1.190 7.559 -1.942 1.00 63.52 C ATOM 771 CD1 ILE A 53 4.020 8.097 0.553 1.00 41.41 C ATOM 0 H ILE A 53 1.827 6.201 1.984 1.00 53.44 H new ATOM 0 HA ILE A 53 0.281 8.271 0.569 1.00 51.53 H new ATOM 0 HB ILE A 53 2.409 6.430 -0.604 1.00 2.44 H new ATOM 0 HG12 ILE A 53 3.248 8.866 -1.282 1.00 21.23 H new ATOM 0 HG13 ILE A 53 2.336 9.340 0.137 1.00 21.23 H new ATOM 0 HG21 ILE A 53 1.948 7.596 -2.725 1.00 63.52 H new ATOM 0 HG22 ILE A 53 0.515 6.724 -2.129 1.00 63.52 H new ATOM 0 HG23 ILE A 53 0.623 8.490 -1.941 1.00 63.52 H new ATOM 0 HD11 ILE A 53 4.686 8.948 0.697 1.00 41.41 H new ATOM 0 HD12 ILE A 53 3.642 7.765 1.520 1.00 41.41 H new ATOM 0 HD13 ILE A 53 4.569 7.283 0.079 1.00 41.41 H new ATOM 783 N PRO A 54 -1.372 6.283 0.839 1.00 3.10 N ATOM 784 CA PRO A 54 -2.432 5.289 0.647 1.00 25.32 C ATOM 785 C PRO A 54 -3.038 5.351 -0.752 1.00 31.43 C ATOM 786 O PRO A 54 -2.754 6.268 -1.520 1.00 62.02 O ATOM 787 CB PRO A 54 -3.474 5.674 1.699 1.00 74.44 C ATOM 788 CG PRO A 54 -3.252 7.127 1.940 1.00 61.12 C ATOM 789 CD PRO A 54 -1.775 7.353 1.767 1.00 50.44 C ATOM 0 HA PRO A 54 -2.059 4.270 0.750 1.00 25.32 H new ATOM 0 HB2 PRO A 54 -4.486 5.482 1.342 1.00 74.44 H new ATOM 0 HB3 PRO A 54 -3.344 5.097 2.614 1.00 74.44 H new ATOM 0 HG2 PRO A 54 -3.825 7.731 1.237 1.00 61.12 H new ATOM 0 HG3 PRO A 54 -3.576 7.411 2.941 1.00 61.12 H new ATOM 0 HD2 PRO A 54 -1.565 8.341 1.357 1.00 50.44 H new ATOM 0 HD3 PRO A 54 -1.244 7.283 2.716 1.00 50.44 H new ATOM 797 N GLU A 55 -3.874 4.368 -1.073 1.00 31.52 N ATOM 798 CA GLU A 55 -4.519 4.312 -2.379 1.00 21.10 C ATOM 799 C GLU A 55 -5.987 3.917 -2.244 1.00 62.21 C ATOM 800 O GLU A 55 -6.491 3.086 -3.001 1.00 61.50 O ATOM 801 CB GLU A 55 -3.794 3.317 -3.289 1.00 14.25 C ATOM 802 CG GLU A 55 -3.854 1.883 -2.793 1.00 23.14 C ATOM 803 CD GLU A 55 -2.819 0.994 -3.454 1.00 23.41 C ATOM 804 OE1 GLU A 55 -3.145 0.370 -4.485 1.00 41.25 O ATOM 805 OE2 GLU A 55 -1.683 0.920 -2.940 1.00 24.34 O ATOM 0 H GLU A 55 -4.120 3.601 -0.447 1.00 31.52 H new ATOM 0 HA GLU A 55 -4.467 5.306 -2.824 1.00 21.10 H new ATOM 0 HB2 GLU A 55 -4.230 3.366 -4.287 1.00 14.25 H new ATOM 0 HB3 GLU A 55 -2.750 3.617 -3.382 1.00 14.25 H new ATOM 0 HG2 GLU A 55 -3.703 1.869 -1.714 1.00 23.14 H new ATOM 0 HG3 GLU A 55 -4.849 1.479 -2.981 1.00 23.14 H new ATOM 812 N THR A 56 -6.669 4.519 -1.274 1.00 64.24 N ATOM 813 CA THR A 56 -8.078 4.229 -1.038 1.00 5.15 C ATOM 814 C THR A 56 -8.823 5.474 -0.569 1.00 23.11 C ATOM 815 O THR A 56 -8.387 6.159 0.358 1.00 45.10 O ATOM 816 CB THR A 56 -8.254 3.114 0.009 1.00 33.04 C ATOM 817 OG1 THR A 56 -7.938 3.613 1.315 1.00 64.54 O ATOM 818 CG2 THR A 56 -7.364 1.923 -0.313 1.00 1.14 C ATOM 0 H THR A 56 -6.268 5.210 -0.640 1.00 64.24 H new ATOM 0 HA THR A 56 -8.496 3.894 -1.987 1.00 5.15 H new ATOM 0 HB THR A 56 -9.294 2.787 -0.013 1.00 33.04 H new ATOM 0 HG1 THR A 56 -6.967 3.596 1.446 1.00 64.54 H new ATOM 0 HG21 THR A 56 -7.506 1.148 0.441 1.00 1.14 H new ATOM 0 HG22 THR A 56 -7.627 1.527 -1.294 1.00 1.14 H new ATOM 0 HG23 THR A 56 -6.321 2.239 -0.317 1.00 1.14 H new ATOM 826 N LEU A 57 -9.949 5.761 -1.213 1.00 63.52 N ATOM 827 CA LEU A 57 -10.756 6.923 -0.861 1.00 2.43 C ATOM 828 C LEU A 57 -11.056 6.947 0.635 1.00 23.31 C ATOM 829 O LEU A 57 -11.207 8.012 1.232 1.00 40.43 O ATOM 830 CB LEU A 57 -12.063 6.921 -1.654 1.00 74.34 C ATOM 831 CG LEU A 57 -12.858 8.227 -1.645 1.00 34.00 C ATOM 832 CD1 LEU A 57 -12.257 9.224 -2.623 1.00 74.14 C ATOM 833 CD2 LEU A 57 -14.319 7.965 -1.977 1.00 14.10 C ATOM 0 H LEU A 57 -10.323 5.205 -1.982 1.00 63.52 H new ATOM 0 HA LEU A 57 -10.187 7.818 -1.113 1.00 2.43 H new ATOM 0 HB2 LEU A 57 -11.836 6.665 -2.689 1.00 74.34 H new ATOM 0 HB3 LEU A 57 -12.701 6.129 -1.262 1.00 74.34 H new ATOM 0 HG LEU A 57 -12.806 8.655 -0.644 1.00 34.00 H new ATOM 0 HD11 LEU A 57 -12.836 10.147 -2.603 1.00 74.14 H new ATOM 0 HD12 LEU A 57 -11.226 9.436 -2.339 1.00 74.14 H new ATOM 0 HD13 LEU A 57 -12.278 8.805 -3.629 1.00 74.14 H new ATOM 0 HD21 LEU A 57 -14.869 8.906 -1.966 1.00 14.10 H new ATOM 0 HD22 LEU A 57 -14.392 7.514 -2.966 1.00 14.10 H new ATOM 0 HD23 LEU A 57 -14.744 7.287 -1.237 1.00 14.10 H new ATOM 845 N ASP A 58 -11.137 5.763 1.234 1.00 40.24 N ATOM 846 CA ASP A 58 -11.415 5.647 2.661 1.00 61.10 C ATOM 847 C ASP A 58 -10.230 6.138 3.487 1.00 72.02 C ATOM 848 O ASP A 58 -10.402 6.855 4.471 1.00 54.10 O ATOM 849 CB ASP A 58 -11.739 4.197 3.022 1.00 1.12 C ATOM 850 CG ASP A 58 -13.180 4.016 3.457 1.00 53.40 C ATOM 851 OD1 ASP A 58 -14.082 4.175 2.606 1.00 20.45 O ATOM 852 OD2 ASP A 58 -13.408 3.718 4.648 1.00 70.53 O ATOM 0 H ASP A 58 -11.014 4.871 0.754 1.00 40.24 H new ATOM 0 HA ASP A 58 -12.278 6.272 2.891 1.00 61.10 H new ATOM 0 HB2 ASP A 58 -11.539 3.558 2.162 1.00 1.12 H new ATOM 0 HB3 ASP A 58 -11.077 3.869 3.823 1.00 1.12 H new ATOM 857 N GLN A 59 -9.028 5.744 3.079 1.00 34.25 N ATOM 858 CA GLN A 59 -7.815 6.142 3.784 1.00 5.11 C ATOM 859 C GLN A 59 -7.646 7.658 3.764 1.00 61.13 C ATOM 860 O GLN A 59 -7.221 8.259 4.750 1.00 31.04 O ATOM 861 CB GLN A 59 -6.591 5.473 3.154 1.00 71.00 C ATOM 862 CG GLN A 59 -6.328 4.071 3.679 1.00 11.33 C ATOM 863 CD GLN A 59 -5.133 3.414 3.016 1.00 1.30 C ATOM 864 OE1 GLN A 59 -5.232 3.185 1.712 1.00 22.25 O flip ATOM 865 NE2 GLN A 59 -4.132 3.118 3.668 1.00 21.42 N flip ATOM 0 H GLN A 59 -8.868 5.150 2.265 1.00 34.25 H new ATOM 0 HA GLN A 59 -7.905 5.818 4.821 1.00 5.11 H new ATOM 0 HB2 GLN A 59 -6.727 5.428 2.074 1.00 71.00 H new ATOM 0 HB3 GLN A 59 -5.713 6.092 3.339 1.00 71.00 H new ATOM 0 HG2 GLN A 59 -6.163 4.115 4.755 1.00 11.33 H new ATOM 0 HG3 GLN A 59 -7.213 3.455 3.518 1.00 11.33 H new ATOM 0 HE21 GLN A 59 -4.099 3.312 4.669 1.00 21.42 H new ATOM 0 HE22 GLN A 59 -3.335 2.678 3.208 1.00 21.42 H new ATOM 874 N LEU A 60 -7.982 8.271 2.634 1.00 62.24 N ATOM 875 CA LEU A 60 -7.869 9.717 2.485 1.00 24.10 C ATOM 876 C LEU A 60 -8.852 10.439 3.401 1.00 63.43 C ATOM 877 O LEU A 60 -8.480 11.365 4.120 1.00 3.34 O ATOM 878 CB LEU A 60 -8.118 10.121 1.031 1.00 63.05 C ATOM 879 CG LEU A 60 -6.904 10.077 0.103 1.00 64.20 C ATOM 880 CD1 LEU A 60 -5.931 11.194 0.444 1.00 4.22 C ATOM 881 CD2 LEU A 60 -6.215 8.723 0.190 1.00 33.35 C ATOM 0 H LEU A 60 -8.335 7.789 1.808 1.00 62.24 H new ATOM 0 HA LEU A 60 -6.857 10.008 2.768 1.00 24.10 H new ATOM 0 HB2 LEU A 60 -8.887 9.467 0.620 1.00 63.05 H new ATOM 0 HB3 LEU A 60 -8.521 11.134 1.021 1.00 63.05 H new ATOM 0 HG LEU A 60 -7.248 10.222 -0.921 1.00 64.20 H new ATOM 0 HD11 LEU A 60 -5.073 11.147 -0.227 1.00 4.22 H new ATOM 0 HD12 LEU A 60 -6.428 12.157 0.330 1.00 4.22 H new ATOM 0 HD13 LEU A 60 -5.593 11.080 1.474 1.00 4.22 H new ATOM 0 HD21 LEU A 60 -5.353 8.710 -0.477 1.00 33.35 H new ATOM 0 HD22 LEU A 60 -5.884 8.548 1.214 1.00 33.35 H new ATOM 0 HD23 LEU A 60 -6.914 7.940 -0.104 1.00 33.35 H new ATOM 893 N ARG A 61 -10.108 10.004 3.370 1.00 42.42 N ATOM 894 CA ARG A 61 -11.144 10.609 4.198 1.00 73.20 C ATOM 895 C ARG A 61 -10.742 10.593 5.671 1.00 43.21 C ATOM 896 O ARG A 61 -10.996 11.549 6.405 1.00 22.11 O ATOM 897 CB ARG A 61 -12.471 9.868 4.014 1.00 64.13 C ATOM 898 CG ARG A 61 -13.662 10.591 4.620 1.00 24.04 C ATOM 899 CD ARG A 61 -14.760 9.618 5.020 1.00 5.11 C ATOM 900 NE ARG A 61 -15.510 9.134 3.864 1.00 33.14 N ATOM 901 CZ ARG A 61 -16.534 8.292 3.953 1.00 41.44 C ATOM 902 NH1 ARG A 61 -16.927 7.844 5.137 1.00 22.03 N ATOM 903 NH2 ARG A 61 -17.167 7.898 2.855 1.00 14.30 N ATOM 0 H ARG A 61 -10.432 9.236 2.782 1.00 42.42 H new ATOM 0 HA ARG A 61 -11.266 11.645 3.883 1.00 73.20 H new ATOM 0 HB2 ARG A 61 -12.650 9.720 2.949 1.00 64.13 H new ATOM 0 HB3 ARG A 61 -12.390 8.879 4.464 1.00 64.13 H new ATOM 0 HG2 ARG A 61 -13.339 11.157 5.494 1.00 24.04 H new ATOM 0 HG3 ARG A 61 -14.056 11.311 3.902 1.00 24.04 H new ATOM 0 HD2 ARG A 61 -14.320 8.771 5.547 1.00 5.11 H new ATOM 0 HD3 ARG A 61 -15.442 10.107 5.716 1.00 5.11 H new ATOM 0 HE ARG A 61 -15.233 9.460 2.938 1.00 33.14 H new ATOM 0 HH11 ARG A 61 -16.443 8.146 5.983 1.00 22.03 H new ATOM 0 HH12 ARG A 61 -17.713 7.198 5.202 1.00 22.03 H new ATOM 0 HH21 ARG A 61 -16.867 8.242 1.943 1.00 14.30 H new ATOM 0 HH22 ARG A 61 -17.953 7.252 2.924 1.00 14.30 H new ATOM 917 N LEU A 62 -10.115 9.502 6.095 1.00 21.53 N ATOM 918 CA LEU A 62 -9.678 9.361 7.480 1.00 23.03 C ATOM 919 C LEU A 62 -8.610 10.396 7.822 1.00 54.11 C ATOM 920 O LEU A 62 -8.769 11.181 8.757 1.00 74.44 O ATOM 921 CB LEU A 62 -9.133 7.951 7.723 1.00 43.44 C ATOM 922 CG LEU A 62 -9.424 7.347 9.097 1.00 42.31 C ATOM 923 CD1 LEU A 62 -8.832 8.215 10.197 1.00 31.23 C ATOM 924 CD2 LEU A 62 -10.922 7.176 9.298 1.00 33.02 C ATOM 0 H LEU A 62 -9.898 8.702 5.501 1.00 21.53 H new ATOM 0 HA LEU A 62 -10.540 9.528 8.126 1.00 23.03 H new ATOM 0 HB2 LEU A 62 -9.545 7.288 6.962 1.00 43.44 H new ATOM 0 HB3 LEU A 62 -8.053 7.971 7.578 1.00 43.44 H new ATOM 0 HG LEU A 62 -8.957 6.363 9.147 1.00 42.31 H new ATOM 0 HD11 LEU A 62 -9.049 7.770 11.168 1.00 31.23 H new ATOM 0 HD12 LEU A 62 -7.753 8.286 10.063 1.00 31.23 H new ATOM 0 HD13 LEU A 62 -9.270 9.212 10.149 1.00 31.23 H new ATOM 0 HD21 LEU A 62 -11.110 6.745 10.281 1.00 33.02 H new ATOM 0 HD22 LEU A 62 -11.412 8.147 9.228 1.00 33.02 H new ATOM 0 HD23 LEU A 62 -11.319 6.513 8.529 1.00 33.02 H new ATOM 936 N VAL A 63 -7.524 10.393 7.057 1.00 63.34 N ATOM 937 CA VAL A 63 -6.432 11.334 7.276 1.00 71.32 C ATOM 938 C VAL A 63 -6.920 12.775 7.179 1.00 74.23 C ATOM 939 O VAL A 63 -6.662 13.590 8.066 1.00 60.21 O ATOM 940 CB VAL A 63 -5.294 11.120 6.260 1.00 33.34 C ATOM 941 CG1 VAL A 63 -4.088 11.973 6.623 1.00 62.10 C ATOM 942 CG2 VAL A 63 -4.914 9.649 6.189 1.00 61.43 C ATOM 0 H VAL A 63 -7.376 9.749 6.280 1.00 63.34 H new ATOM 0 HA VAL A 63 -6.052 11.149 8.281 1.00 71.32 H new ATOM 0 HB VAL A 63 -5.645 11.429 5.276 1.00 33.34 H new ATOM 0 HG11 VAL A 63 -3.294 11.809 5.895 1.00 62.10 H new ATOM 0 HG12 VAL A 63 -4.372 13.025 6.619 1.00 62.10 H new ATOM 0 HG13 VAL A 63 -3.732 11.697 7.616 1.00 62.10 H new ATOM 0 HG21 VAL A 63 -4.109 9.516 5.467 1.00 61.43 H new ATOM 0 HG22 VAL A 63 -4.581 9.312 7.170 1.00 61.43 H new ATOM 0 HG23 VAL A 63 -5.780 9.064 5.879 1.00 61.43 H new ATOM 952 N ILE A 64 -7.627 13.083 6.096 1.00 33.32 N ATOM 953 CA ILE A 64 -8.154 14.426 5.885 1.00 23.41 C ATOM 954 C ILE A 64 -8.966 14.894 7.087 1.00 34.52 C ATOM 955 O ILE A 64 -8.924 16.067 7.459 1.00 64.12 O ATOM 956 CB ILE A 64 -9.037 14.491 4.625 1.00 4.10 C ATOM 957 CG1 ILE A 64 -8.216 14.147 3.380 1.00 34.44 C ATOM 958 CG2 ILE A 64 -9.662 15.872 4.489 1.00 25.40 C ATOM 959 CD1 ILE A 64 -9.033 13.526 2.270 1.00 54.42 C ATOM 0 H ILE A 64 -7.848 12.421 5.352 1.00 33.32 H new ATOM 0 HA ILE A 64 -7.296 15.085 5.752 1.00 23.41 H new ATOM 0 HB ILE A 64 -9.838 13.758 4.722 1.00 4.10 H new ATOM 0 HG12 ILE A 64 -7.741 15.054 3.006 1.00 34.44 H new ATOM 0 HG13 ILE A 64 -7.417 13.460 3.660 1.00 34.44 H new ATOM 0 HG21 ILE A 64 -10.283 15.904 3.594 1.00 25.40 H new ATOM 0 HG22 ILE A 64 -10.276 16.081 5.365 1.00 25.40 H new ATOM 0 HG23 ILE A 64 -8.875 16.622 4.410 1.00 25.40 H new ATOM 0 HD11 ILE A 64 -8.386 13.309 1.420 1.00 54.42 H new ATOM 0 HD12 ILE A 64 -9.487 12.601 2.626 1.00 54.42 H new ATOM 0 HD13 ILE A 64 -9.816 14.220 1.962 1.00 54.42 H new ATOM 971 N CYS A 65 -9.703 13.968 7.692 1.00 1.44 N ATOM 972 CA CYS A 65 -10.524 14.287 8.855 1.00 72.53 C ATOM 973 C CYS A 65 -9.655 14.672 10.047 1.00 31.23 C ATOM 974 O CYS A 65 -9.955 15.626 10.764 1.00 12.33 O ATOM 975 CB CYS A 65 -11.411 13.095 9.220 1.00 51.14 C ATOM 976 SG CYS A 65 -12.852 13.526 10.222 1.00 15.11 S ATOM 0 H CYS A 65 -9.749 12.993 7.397 1.00 1.44 H new ATOM 0 HA CYS A 65 -11.156 15.138 8.600 1.00 72.53 H new ATOM 0 HB2 CYS A 65 -11.751 12.614 8.303 1.00 51.14 H new ATOM 0 HB3 CYS A 65 -10.812 12.362 9.761 1.00 51.14 H new ATOM 0 HG CYS A 65 -13.540 12.453 10.477 1.00 15.11 H new ATOM 982 N ASP A 66 -8.578 13.923 10.253 1.00 24.32 N ATOM 983 CA ASP A 66 -7.665 14.186 11.359 1.00 5.23 C ATOM 984 C ASP A 66 -6.998 15.549 11.201 1.00 25.05 C ATOM 985 O ASP A 66 -7.111 16.412 12.071 1.00 15.31 O ATOM 986 CB ASP A 66 -6.600 13.090 11.442 1.00 2.40 C ATOM 987 CG ASP A 66 -7.174 11.706 11.208 1.00 13.32 C ATOM 988 OD1 ASP A 66 -6.457 10.853 10.648 1.00 24.13 O ATOM 989 OD2 ASP A 66 -8.342 11.478 11.587 1.00 33.54 O ATOM 0 H ASP A 66 -8.316 13.129 9.669 1.00 24.32 H new ATOM 0 HA ASP A 66 -8.244 14.190 12.282 1.00 5.23 H new ATOM 0 HB2 ASP A 66 -5.822 13.287 10.705 1.00 2.40 H new ATOM 0 HB3 ASP A 66 -6.125 13.122 12.423 1.00 2.40 H new ATOM 994 N LEU A 67 -6.300 15.735 10.085 1.00 31.45 N ATOM 995 CA LEU A 67 -5.613 16.992 9.814 1.00 43.13 C ATOM 996 C LEU A 67 -6.597 18.157 9.797 1.00 52.54 C ATOM 997 O LEU A 67 -6.242 19.286 10.135 1.00 1.12 O ATOM 998 CB LEU A 67 -4.876 16.914 8.475 1.00 70.21 C ATOM 999 CG LEU A 67 -5.679 16.359 7.298 1.00 4.33 C ATOM 1000 CD1 LEU A 67 -6.145 17.488 6.391 1.00 23.42 C ATOM 1001 CD2 LEU A 67 -4.850 15.352 6.515 1.00 25.53 C ATOM 0 H LEU A 67 -6.196 15.031 9.354 1.00 31.45 H new ATOM 0 HA LEU A 67 -4.890 17.162 10.612 1.00 43.13 H new ATOM 0 HB2 LEU A 67 -4.531 17.915 8.214 1.00 70.21 H new ATOM 0 HB3 LEU A 67 -3.988 16.295 8.607 1.00 70.21 H new ATOM 0 HG LEU A 67 -6.558 15.849 7.691 1.00 4.33 H new ATOM 0 HD11 LEU A 67 -6.715 17.075 5.559 1.00 23.42 H new ATOM 0 HD12 LEU A 67 -6.776 18.173 6.958 1.00 23.42 H new ATOM 0 HD13 LEU A 67 -5.279 18.026 6.006 1.00 23.42 H new ATOM 0 HD21 LEU A 67 -5.437 14.967 5.681 1.00 25.53 H new ATOM 0 HD22 LEU A 67 -3.952 15.838 6.133 1.00 25.53 H new ATOM 0 HD23 LEU A 67 -4.566 14.528 7.169 1.00 25.53 H new ATOM 1013 N GLN A 68 -7.835 17.875 9.403 1.00 20.33 N ATOM 1014 CA GLN A 68 -8.871 18.900 9.345 1.00 34.43 C ATOM 1015 C GLN A 68 -9.126 19.494 10.725 1.00 13.44 C ATOM 1016 O GLN A 68 -9.047 20.708 10.913 1.00 1.11 O ATOM 1017 CB GLN A 68 -10.166 18.314 8.781 1.00 53.35 C ATOM 1018 CG GLN A 68 -11.355 19.255 8.886 1.00 52.33 C ATOM 1019 CD GLN A 68 -11.079 20.616 8.277 1.00 22.31 C ATOM 1020 OE1 GLN A 68 -10.683 20.720 7.116 1.00 13.35 O ATOM 1021 NE2 GLN A 68 -11.285 21.667 9.061 1.00 1.43 N ATOM 0 H GLN A 68 -8.145 16.946 9.119 1.00 20.33 H new ATOM 0 HA GLN A 68 -8.524 19.696 8.686 1.00 34.43 H new ATOM 0 HB2 GLN A 68 -10.011 18.053 7.734 1.00 53.35 H new ATOM 0 HB3 GLN A 68 -10.397 17.389 9.310 1.00 53.35 H new ATOM 0 HG2 GLN A 68 -12.214 18.806 8.387 1.00 52.33 H new ATOM 0 HG3 GLN A 68 -11.624 19.379 9.935 1.00 52.33 H new ATOM 0 HE21 GLN A 68 -11.614 21.533 10.017 1.00 1.43 H new ATOM 0 HE22 GLN A 68 -11.115 22.608 8.707 1.00 1.43 H new ATOM 1030 N GLU A 69 -9.433 18.631 11.689 1.00 13.23 N ATOM 1031 CA GLU A 69 -9.701 19.073 13.053 1.00 52.05 C ATOM 1032 C GLU A 69 -8.519 19.858 13.613 1.00 42.23 C ATOM 1033 O GLU A 69 -8.695 20.904 14.239 1.00 72.22 O ATOM 1034 CB GLU A 69 -10.003 17.873 13.952 1.00 30.11 C ATOM 1035 CG GLU A 69 -11.118 18.125 14.953 1.00 43.43 C ATOM 1036 CD GLU A 69 -10.607 18.673 16.270 1.00 3.53 C ATOM 1037 OE1 GLU A 69 -10.684 17.949 17.284 1.00 65.13 O ATOM 1038 OE2 GLU A 69 -10.128 19.828 16.287 1.00 33.23 O ATOM 0 H GLU A 69 -9.502 17.623 11.551 1.00 13.23 H new ATOM 0 HA GLU A 69 -10.572 19.728 13.030 1.00 52.05 H new ATOM 0 HB2 GLU A 69 -10.273 17.021 13.328 1.00 30.11 H new ATOM 0 HB3 GLU A 69 -9.097 17.598 14.492 1.00 30.11 H new ATOM 0 HG2 GLU A 69 -11.834 18.827 14.525 1.00 43.43 H new ATOM 0 HG3 GLU A 69 -11.655 17.194 15.135 1.00 43.43 H new ATOM 1045 N ARG A 70 -7.315 19.345 13.384 1.00 12.42 N ATOM 1046 CA ARG A 70 -6.103 19.997 13.867 1.00 22.50 C ATOM 1047 C ARG A 70 -5.873 21.321 13.146 1.00 70.13 C ATOM 1048 O ARG A 70 -5.289 22.251 13.705 1.00 71.14 O ATOM 1049 CB ARG A 70 -4.893 19.080 13.672 1.00 73.13 C ATOM 1050 CG ARG A 70 -5.035 17.731 14.357 1.00 3.12 C ATOM 1051 CD ARG A 70 -3.798 16.869 14.151 1.00 13.53 C ATOM 1052 NE ARG A 70 -3.683 15.825 15.166 1.00 61.23 N ATOM 1053 CZ ARG A 70 -4.488 14.770 15.229 1.00 12.52 C ATOM 1054 NH1 ARG A 70 -5.461 14.620 14.340 1.00 12.25 N ATOM 1055 NH2 ARG A 70 -4.321 13.862 16.182 1.00 5.33 N ATOM 0 H ARG A 70 -7.152 18.481 12.868 1.00 12.42 H new ATOM 0 HA ARG A 70 -6.229 20.200 14.930 1.00 22.50 H new ATOM 0 HB2 ARG A 70 -4.736 18.922 12.605 1.00 73.13 H new ATOM 0 HB3 ARG A 70 -4.003 19.580 14.054 1.00 73.13 H new ATOM 0 HG2 ARG A 70 -5.203 17.879 15.424 1.00 3.12 H new ATOM 0 HG3 ARG A 70 -5.910 17.213 13.965 1.00 3.12 H new ATOM 0 HD2 ARG A 70 -3.836 16.411 13.163 1.00 13.53 H new ATOM 0 HD3 ARG A 70 -2.909 17.499 14.177 1.00 13.53 H new ATOM 0 HE ARG A 70 -2.945 15.911 15.864 1.00 61.23 H new ATOM 0 HH11 ARG A 70 -5.593 15.316 13.606 1.00 12.25 H new ATOM 0 HH12 ARG A 70 -6.078 13.809 14.391 1.00 12.25 H new ATOM 0 HH21 ARG A 70 -3.574 13.974 16.867 1.00 5.33 H new ATOM 0 HH22 ARG A 70 -4.940 13.053 16.229 1.00 5.33 H new ATOM 1069 N ARG A 71 -6.334 21.400 11.902 1.00 63.32 N ATOM 1070 CA ARG A 71 -6.177 22.609 11.104 1.00 42.02 C ATOM 1071 C ARG A 71 -6.944 23.774 11.725 1.00 65.20 C ATOM 1072 O ARG A 71 -6.411 24.873 11.866 1.00 14.15 O ATOM 1073 CB ARG A 71 -6.664 22.369 9.673 1.00 12.23 C ATOM 1074 CG ARG A 71 -5.580 22.547 8.623 1.00 71.00 C ATOM 1075 CD ARG A 71 -4.839 21.245 8.361 1.00 72.04 C ATOM 1076 NE ARG A 71 -3.954 20.887 9.466 1.00 45.32 N ATOM 1077 CZ ARG A 71 -2.920 20.063 9.340 1.00 61.41 C ATOM 1078 NH1 ARG A 71 -2.642 19.515 8.165 1.00 54.10 N ATOM 1079 NH2 ARG A 71 -2.160 19.786 10.393 1.00 45.41 N ATOM 0 H ARG A 71 -6.820 20.640 11.425 1.00 63.32 H new ATOM 0 HA ARG A 71 -5.118 22.864 11.082 1.00 42.02 H new ATOM 0 HB2 ARG A 71 -7.066 21.359 9.600 1.00 12.23 H new ATOM 0 HB3 ARG A 71 -7.483 23.055 9.457 1.00 12.23 H new ATOM 0 HG2 ARG A 71 -6.026 22.906 7.695 1.00 71.00 H new ATOM 0 HG3 ARG A 71 -4.874 23.309 8.953 1.00 71.00 H new ATOM 0 HD2 ARG A 71 -5.560 20.444 8.200 1.00 72.04 H new ATOM 0 HD3 ARG A 71 -4.256 21.338 7.445 1.00 72.04 H new ATOM 0 HE ARG A 71 -4.140 21.291 10.384 1.00 45.32 H new ATOM 0 HH11 ARG A 71 -3.223 19.726 7.354 1.00 54.10 H new ATOM 0 HH12 ARG A 71 -1.847 18.883 8.072 1.00 54.10 H new ATOM 0 HH21 ARG A 71 -2.370 20.206 11.298 1.00 45.41 H new ATOM 0 HH22 ARG A 71 -1.366 19.153 10.296 1.00 45.41 H new ATOM 1093 N GLU A 72 -8.196 23.522 12.092 1.00 13.20 N ATOM 1094 CA GLU A 72 -9.035 24.550 12.697 1.00 45.14 C ATOM 1095 C GLU A 72 -8.484 24.973 14.055 1.00 43.00 C ATOM 1096 O GLU A 72 -8.312 26.162 14.325 1.00 14.45 O ATOM 1097 CB GLU A 72 -10.470 24.043 12.851 1.00 52.42 C ATOM 1098 CG GLU A 72 -11.514 25.147 12.808 1.00 62.53 C ATOM 1099 CD GLU A 72 -11.661 25.756 11.427 1.00 13.54 C ATOM 1100 OE1 GLU A 72 -11.235 25.112 10.446 1.00 0.04 O ATOM 1101 OE2 GLU A 72 -12.202 26.878 11.328 1.00 33.11 O ATOM 0 H GLU A 72 -8.652 22.616 11.981 1.00 13.20 H new ATOM 0 HA GLU A 72 -9.033 25.418 12.038 1.00 45.14 H new ATOM 0 HB2 GLU A 72 -10.680 23.325 12.058 1.00 52.42 H new ATOM 0 HB3 GLU A 72 -10.558 23.508 13.797 1.00 52.42 H new ATOM 0 HG2 GLU A 72 -12.475 24.746 13.128 1.00 62.53 H new ATOM 0 HG3 GLU A 72 -11.242 25.928 13.518 1.00 62.53 H new ATOM 1108 N LYS A 73 -8.209 23.992 14.907 1.00 61.41 N ATOM 1109 CA LYS A 73 -7.676 24.258 16.237 1.00 13.33 C ATOM 1110 C LYS A 73 -6.320 24.951 16.152 1.00 62.53 C ATOM 1111 O LYS A 73 -5.904 25.640 17.083 1.00 55.43 O ATOM 1112 CB LYS A 73 -7.547 22.955 17.029 1.00 4.21 C ATOM 1113 CG LYS A 73 -8.332 22.952 18.329 1.00 42.40 C ATOM 1114 CD LYS A 73 -7.431 22.693 19.524 1.00 60.11 C ATOM 1115 CE LYS A 73 -6.926 23.992 20.134 1.00 42.14 C ATOM 1116 NZ LYS A 73 -6.386 23.788 21.506 1.00 41.11 N ATOM 0 H LYS A 73 -8.347 23.003 14.699 1.00 61.41 H new ATOM 0 HA LYS A 73 -8.371 24.921 16.753 1.00 13.33 H new ATOM 0 HB2 LYS A 73 -7.887 22.127 16.407 1.00 4.21 H new ATOM 0 HB3 LYS A 73 -6.495 22.777 17.250 1.00 4.21 H new ATOM 0 HG2 LYS A 73 -8.836 23.911 18.453 1.00 42.40 H new ATOM 0 HG3 LYS A 73 -9.108 22.188 18.285 1.00 42.40 H new ATOM 0 HD2 LYS A 73 -7.978 22.125 20.277 1.00 60.11 H new ATOM 0 HD3 LYS A 73 -6.583 22.081 19.216 1.00 60.11 H new ATOM 0 HE2 LYS A 73 -6.149 24.414 19.497 1.00 42.14 H new ATOM 0 HE3 LYS A 73 -7.739 24.717 20.168 1.00 42.14 H new ATOM 0 HZ1 LYS A 73 -6.052 24.697 21.886 1.00 41.11 H new ATOM 0 HZ2 LYS A 73 -7.134 23.409 22.121 1.00 41.11 H new ATOM 0 HZ3 LYS A 73 -5.593 23.115 21.471 1.00 41.11 H new ATOM 1130 N PHE A 74 -5.635 24.764 15.029 1.00 41.15 N ATOM 1131 CA PHE A 74 -4.325 25.371 14.822 1.00 32.21 C ATOM 1132 C PHE A 74 -4.461 26.758 14.200 1.00 14.22 C ATOM 1133 O PHE A 74 -3.565 27.593 14.317 1.00 21.32 O ATOM 1134 CB PHE A 74 -3.463 24.480 13.925 1.00 42.10 C ATOM 1135 CG PHE A 74 -2.053 24.974 13.767 1.00 52.31 C ATOM 1136 CD1 PHE A 74 -1.716 25.827 12.729 1.00 55.41 C ATOM 1137 CD2 PHE A 74 -1.065 24.585 14.658 1.00 51.34 C ATOM 1138 CE1 PHE A 74 -0.420 26.284 12.581 1.00 42.01 C ATOM 1139 CE2 PHE A 74 0.233 25.040 14.514 1.00 35.44 C ATOM 1140 CZ PHE A 74 0.556 25.889 13.475 1.00 64.45 C ATOM 0 H PHE A 74 -5.965 24.197 14.248 1.00 41.15 H new ATOM 0 HA PHE A 74 -3.841 25.473 15.794 1.00 32.21 H new ATOM 0 HB2 PHE A 74 -3.442 23.472 14.340 1.00 42.10 H new ATOM 0 HB3 PHE A 74 -3.928 24.410 12.941 1.00 42.10 H new ATOM 0 HD1 PHE A 74 -2.475 26.139 12.027 1.00 55.41 H new ATOM 0 HD2 PHE A 74 -1.311 23.920 15.473 1.00 51.34 H new ATOM 0 HE1 PHE A 74 -0.171 26.949 11.767 1.00 42.01 H new ATOM 0 HE2 PHE A 74 0.994 24.731 15.215 1.00 35.44 H new ATOM 0 HZ PHE A 74 1.570 26.244 13.361 1.00 64.45 H new ATOM 1150 N GLY A 75 -5.590 26.996 13.538 1.00 24.12 N ATOM 1151 CA GLY A 75 -5.822 28.281 12.907 1.00 11.40 C ATOM 1152 C GLY A 75 -5.700 28.217 11.398 1.00 42.45 C ATOM 1153 O GLY A 75 -5.674 27.133 10.816 1.00 63.10 O ATOM 0 H GLY A 75 -6.347 26.321 13.428 1.00 24.12 H new ATOM 0 HA2 GLY A 75 -6.817 28.638 13.173 1.00 11.40 H new ATOM 0 HA3 GLY A 75 -5.108 29.007 13.296 1.00 11.40 H new ATOM 1157 N SER A 76 -5.626 29.382 10.762 1.00 61.02 N ATOM 1158 CA SER A 76 -5.511 29.454 9.310 1.00 1.42 C ATOM 1159 C SER A 76 -4.106 29.880 8.896 1.00 12.53 C ATOM 1160 O SER A 76 -3.527 30.799 9.477 1.00 40.00 O ATOM 1161 CB SER A 76 -6.541 30.435 8.744 1.00 23.43 C ATOM 1162 OG SER A 76 -7.058 31.274 9.761 1.00 50.21 O ATOM 0 H SER A 76 -5.644 30.289 11.229 1.00 61.02 H new ATOM 0 HA SER A 76 -5.704 28.460 8.905 1.00 1.42 H new ATOM 0 HB2 SER A 76 -6.079 31.043 7.966 1.00 23.43 H new ATOM 0 HB3 SER A 76 -7.355 29.882 8.275 1.00 23.43 H new ATOM 0 HG SER A 76 -7.712 31.892 9.374 1.00 50.21 H new ATOM 1168 N SER A 77 -3.562 29.205 7.888 1.00 1.21 N ATOM 1169 CA SER A 77 -2.223 29.510 7.399 1.00 64.24 C ATOM 1170 C SER A 77 -2.057 29.056 5.951 1.00 52.43 C ATOM 1171 O SER A 77 -2.467 27.955 5.583 1.00 25.32 O ATOM 1172 CB SER A 77 -1.169 28.837 8.279 1.00 32.33 C ATOM 1173 OG SER A 77 -0.138 28.264 7.494 1.00 72.40 O ATOM 0 H SER A 77 -4.028 28.444 7.395 1.00 1.21 H new ATOM 0 HA SER A 77 -2.085 30.590 7.442 1.00 64.24 H new ATOM 0 HB2 SER A 77 -0.743 29.569 8.966 1.00 32.33 H new ATOM 0 HB3 SER A 77 -1.639 28.064 8.888 1.00 32.33 H new ATOM 0 HG SER A 77 0.524 27.842 8.081 1.00 72.40 H new ATOM 1179 N LYS A 78 -1.454 29.913 5.134 1.00 53.11 N ATOM 1180 CA LYS A 78 -1.233 29.602 3.728 1.00 45.33 C ATOM 1181 C LYS A 78 -0.519 28.263 3.571 1.00 13.34 C ATOM 1182 O LYS A 78 -0.743 27.540 2.602 1.00 70.20 O ATOM 1183 CB LYS A 78 -0.412 30.709 3.062 1.00 3.14 C ATOM 1184 CG LYS A 78 -1.170 31.467 1.987 1.00 51.03 C ATOM 1185 CD LYS A 78 -0.232 32.272 1.103 1.00 21.23 C ATOM 1186 CE LYS A 78 -0.396 31.906 -0.364 1.00 3.35 C ATOM 1187 NZ LYS A 78 0.870 32.090 -1.126 1.00 73.10 N ATOM 0 H LYS A 78 -1.110 30.829 5.422 1.00 53.11 H new ATOM 0 HA LYS A 78 -2.206 29.535 3.241 1.00 45.33 H new ATOM 0 HB2 LYS A 78 -0.080 31.413 3.825 1.00 3.14 H new ATOM 0 HB3 LYS A 78 0.484 30.271 2.622 1.00 3.14 H new ATOM 0 HG2 LYS A 78 -1.734 30.764 1.374 1.00 51.03 H new ATOM 0 HG3 LYS A 78 -1.894 32.135 2.454 1.00 51.03 H new ATOM 0 HD2 LYS A 78 -0.427 33.336 1.238 1.00 21.23 H new ATOM 0 HD3 LYS A 78 0.799 32.096 1.410 1.00 21.23 H new ATOM 0 HE2 LYS A 78 -0.721 30.869 -0.445 1.00 3.35 H new ATOM 0 HE3 LYS A 78 -1.179 32.522 -0.807 1.00 3.35 H new ATOM 0 HZ1 LYS A 78 0.717 31.830 -2.121 1.00 73.10 H new ATOM 0 HZ2 LYS A 78 1.168 33.085 -1.070 1.00 73.10 H new ATOM 0 HZ3 LYS A 78 1.611 31.484 -0.720 1.00 73.10 H new ATOM 1201 N GLU A 79 0.339 27.940 4.534 1.00 70.50 N ATOM 1202 CA GLU A 79 1.084 26.686 4.502 1.00 2.14 C ATOM 1203 C GLU A 79 0.186 25.510 4.876 1.00 63.13 C ATOM 1204 O GLU A 79 -0.103 24.648 4.045 1.00 13.05 O ATOM 1205 CB GLU A 79 2.279 26.753 5.456 1.00 54.24 C ATOM 1206 CG GLU A 79 3.385 27.681 4.982 1.00 31.40 C ATOM 1207 CD GLU A 79 3.387 29.008 5.713 1.00 53.24 C ATOM 1208 OE1 GLU A 79 3.951 29.071 6.826 1.00 45.44 O ATOM 1209 OE2 GLU A 79 2.825 29.984 5.174 1.00 55.25 O ATOM 0 H GLU A 79 0.535 28.528 5.344 1.00 70.50 H new ATOM 0 HA GLU A 79 1.447 26.534 3.486 1.00 2.14 H new ATOM 0 HB2 GLU A 79 1.933 27.084 6.435 1.00 54.24 H new ATOM 0 HB3 GLU A 79 2.687 25.751 5.584 1.00 54.24 H new ATOM 0 HG2 GLU A 79 4.349 27.192 5.122 1.00 31.40 H new ATOM 0 HG3 GLU A 79 3.271 27.860 3.913 1.00 31.40 H new ATOM 1216 N ILE A 80 -0.251 25.482 6.131 1.00 44.11 N ATOM 1217 CA ILE A 80 -1.115 24.413 6.614 1.00 13.32 C ATOM 1218 C ILE A 80 -2.317 24.220 5.695 1.00 64.20 C ATOM 1219 O ILE A 80 -2.846 23.115 5.572 1.00 14.13 O ATOM 1220 CB ILE A 80 -1.616 24.696 8.043 1.00 55.42 C ATOM 1221 CG1 ILE A 80 -2.194 23.424 8.666 1.00 11.12 C ATOM 1222 CG2 ILE A 80 -2.658 25.806 8.028 1.00 23.15 C ATOM 1223 CD1 ILE A 80 -2.564 23.581 10.124 1.00 54.23 C ATOM 0 H ILE A 80 -0.021 26.187 6.831 1.00 44.11 H new ATOM 0 HA ILE A 80 -0.516 23.502 6.621 1.00 13.32 H new ATOM 0 HB ILE A 80 -0.772 25.024 8.650 1.00 55.42 H new ATOM 0 HG12 ILE A 80 -3.079 23.124 8.105 1.00 11.12 H new ATOM 0 HG13 ILE A 80 -1.466 22.618 8.569 1.00 11.12 H new ATOM 0 HG21 ILE A 80 -3.003 25.995 9.045 1.00 23.15 H new ATOM 0 HG22 ILE A 80 -2.216 26.715 7.620 1.00 23.15 H new ATOM 0 HG23 ILE A 80 -3.503 25.504 7.409 1.00 23.15 H new ATOM 0 HD11 ILE A 80 -2.967 22.641 10.500 1.00 54.23 H new ATOM 0 HD12 ILE A 80 -1.677 23.851 10.697 1.00 54.23 H new ATOM 0 HD13 ILE A 80 -3.315 24.365 10.227 1.00 54.23 H new ATOM 1235 N ASP A 81 -2.742 25.301 5.051 1.00 3.12 N ATOM 1236 CA ASP A 81 -3.878 25.250 4.140 1.00 75.03 C ATOM 1237 C ASP A 81 -3.528 24.474 2.875 1.00 62.44 C ATOM 1238 O ASP A 81 -4.238 23.546 2.487 1.00 21.44 O ATOM 1239 CB ASP A 81 -4.331 26.665 3.774 1.00 14.15 C ATOM 1240 CG ASP A 81 -5.579 26.671 2.914 1.00 41.24 C ATOM 1241 OD1 ASP A 81 -5.850 27.705 2.268 1.00 75.31 O ATOM 1242 OD2 ASP A 81 -6.283 25.640 2.885 1.00 53.20 O ATOM 0 H ASP A 81 -2.316 26.223 5.143 1.00 3.12 H new ATOM 0 HA ASP A 81 -4.693 24.734 4.647 1.00 75.03 H new ATOM 0 HB2 ASP A 81 -4.520 27.230 4.687 1.00 14.15 H new ATOM 0 HB3 ASP A 81 -3.526 27.175 3.244 1.00 14.15 H new ATOM 1247 N MET A 82 -2.430 24.859 2.235 1.00 24.03 N ATOM 1248 CA MET A 82 -1.984 24.198 1.013 1.00 14.13 C ATOM 1249 C MET A 82 -1.832 22.697 1.232 1.00 23.05 C ATOM 1250 O MET A 82 -2.026 21.903 0.312 1.00 35.31 O ATOM 1251 CB MET A 82 -0.657 24.795 0.539 1.00 74.31 C ATOM 1252 CG MET A 82 -0.822 25.935 -0.451 1.00 72.13 C ATOM 1253 SD MET A 82 0.681 26.911 -0.644 1.00 64.53 S ATOM 1254 CE MET A 82 0.367 27.710 -2.217 1.00 32.02 C ATOM 0 H MET A 82 -1.831 25.626 2.542 1.00 24.03 H new ATOM 0 HA MET A 82 -2.740 24.360 0.245 1.00 14.13 H new ATOM 0 HB2 MET A 82 -0.100 25.154 1.404 1.00 74.31 H new ATOM 0 HB3 MET A 82 -0.058 24.009 0.079 1.00 74.31 H new ATOM 0 HG2 MET A 82 -1.114 25.530 -1.420 1.00 72.13 H new ATOM 0 HG3 MET A 82 -1.632 26.584 -0.119 1.00 72.13 H new ATOM 0 HE1 MET A 82 1.211 28.351 -2.475 1.00 32.02 H new ATOM 0 HE2 MET A 82 0.237 26.953 -2.990 1.00 32.02 H new ATOM 0 HE3 MET A 82 -0.538 28.313 -2.144 1.00 32.02 H new ATOM 1264 N ALA A 83 -1.482 22.314 2.456 1.00 3.25 N ATOM 1265 CA ALA A 83 -1.304 20.908 2.796 1.00 43.44 C ATOM 1266 C ALA A 83 -2.640 20.173 2.806 1.00 41.13 C ATOM 1267 O ALA A 83 -2.858 19.251 2.019 1.00 5.52 O ATOM 1268 CB ALA A 83 -0.616 20.774 4.147 1.00 43.04 C ATOM 0 H ALA A 83 -1.316 22.959 3.229 1.00 3.25 H new ATOM 0 HA ALA A 83 -0.673 20.452 2.033 1.00 43.44 H new ATOM 0 HB1 ALA A 83 -0.490 19.718 4.388 1.00 43.04 H new ATOM 0 HB2 ALA A 83 0.361 21.257 4.107 1.00 43.04 H new ATOM 0 HB3 ALA A 83 -1.225 21.251 4.915 1.00 43.04 H new ATOM 1274 N ILE A 84 -3.530 20.587 3.701 1.00 72.54 N ATOM 1275 CA ILE A 84 -4.845 19.967 3.812 1.00 34.03 C ATOM 1276 C ILE A 84 -5.561 19.952 2.466 1.00 74.14 C ATOM 1277 O ILE A 84 -6.187 18.959 2.094 1.00 33.51 O ATOM 1278 CB ILE A 84 -5.727 20.698 4.842 1.00 21.33 C ATOM 1279 CG1 ILE A 84 -7.139 20.110 4.846 1.00 72.32 C ATOM 1280 CG2 ILE A 84 -5.769 22.189 4.541 1.00 61.45 C ATOM 1281 CD1 ILE A 84 -7.827 20.197 6.190 1.00 33.43 C ATOM 0 H ILE A 84 -3.365 21.348 4.359 1.00 72.54 H new ATOM 0 HA ILE A 84 -4.683 18.942 4.146 1.00 34.03 H new ATOM 0 HB ILE A 84 -5.293 20.559 5.832 1.00 21.33 H new ATOM 0 HG12 ILE A 84 -7.743 20.632 4.104 1.00 72.32 H new ATOM 0 HG13 ILE A 84 -7.089 19.065 4.539 1.00 72.32 H new ATOM 0 HG21 ILE A 84 -6.396 22.691 5.278 1.00 61.45 H new ATOM 0 HG22 ILE A 84 -4.759 22.598 4.585 1.00 61.45 H new ATOM 0 HG23 ILE A 84 -6.182 22.348 3.545 1.00 61.45 H new ATOM 0 HD11 ILE A 84 -8.823 19.761 6.118 1.00 33.43 H new ATOM 0 HD12 ILE A 84 -7.245 19.651 6.933 1.00 33.43 H new ATOM 0 HD13 ILE A 84 -7.909 21.242 6.490 1.00 33.43 H new ATOM 1293 N VAL A 85 -5.465 21.059 1.738 1.00 42.41 N ATOM 1294 CA VAL A 85 -6.101 21.173 0.431 1.00 2.14 C ATOM 1295 C VAL A 85 -5.560 20.127 -0.536 1.00 3.22 C ATOM 1296 O VAL A 85 -6.314 19.514 -1.292 1.00 72.13 O ATOM 1297 CB VAL A 85 -5.892 22.574 -0.175 1.00 2.43 C ATOM 1298 CG1 VAL A 85 -6.468 22.639 -1.581 1.00 11.12 C ATOM 1299 CG2 VAL A 85 -6.515 23.639 0.715 1.00 21.52 C ATOM 0 H VAL A 85 -4.952 21.891 2.031 1.00 42.41 H new ATOM 0 HA VAL A 85 -7.168 21.007 0.582 1.00 2.14 H new ATOM 0 HB VAL A 85 -4.821 22.767 -0.237 1.00 2.43 H new ATOM 0 HG11 VAL A 85 -6.311 23.636 -1.993 1.00 11.12 H new ATOM 0 HG12 VAL A 85 -5.970 21.903 -2.212 1.00 11.12 H new ATOM 0 HG13 VAL A 85 -7.536 22.425 -1.547 1.00 11.12 H new ATOM 0 HG21 VAL A 85 -6.357 24.622 0.271 1.00 21.52 H new ATOM 0 HG22 VAL A 85 -7.584 23.452 0.812 1.00 21.52 H new ATOM 0 HG23 VAL A 85 -6.050 23.607 1.700 1.00 21.52 H new ATOM 1309 N THR A 86 -4.246 19.926 -0.509 1.00 2.44 N ATOM 1310 CA THR A 86 -3.603 18.954 -1.383 1.00 12.53 C ATOM 1311 C THR A 86 -4.141 17.550 -1.134 1.00 23.44 C ATOM 1312 O THR A 86 -4.466 16.823 -2.073 1.00 44.43 O ATOM 1313 CB THR A 86 -2.075 18.949 -1.190 1.00 33.25 C ATOM 1314 OG1 THR A 86 -1.524 20.207 -1.594 1.00 50.10 O ATOM 1315 CG2 THR A 86 -1.431 17.827 -1.990 1.00 3.21 C ATOM 0 H THR A 86 -3.606 20.424 0.110 1.00 2.44 H new ATOM 0 HA THR A 86 -3.831 19.250 -2.407 1.00 12.53 H new ATOM 0 HB THR A 86 -1.867 18.785 -0.133 1.00 33.25 H new ATOM 0 HG1 THR A 86 -1.642 20.320 -2.560 1.00 50.10 H new ATOM 0 HG21 THR A 86 -0.352 17.844 -1.837 1.00 3.21 H new ATOM 0 HG22 THR A 86 -1.829 16.868 -1.658 1.00 3.21 H new ATOM 0 HG23 THR A 86 -1.650 17.963 -3.049 1.00 3.21 H new ATOM 1323 N LEU A 87 -4.231 17.173 0.137 1.00 65.04 N ATOM 1324 CA LEU A 87 -4.731 15.854 0.510 1.00 2.02 C ATOM 1325 C LEU A 87 -6.118 15.612 -0.074 1.00 53.44 C ATOM 1326 O LEU A 87 -6.391 14.554 -0.639 1.00 64.31 O ATOM 1327 CB LEU A 87 -4.775 15.715 2.033 1.00 4.50 C ATOM 1328 CG LEU A 87 -3.816 14.691 2.641 1.00 41.20 C ATOM 1329 CD1 LEU A 87 -4.217 13.280 2.239 1.00 54.40 C ATOM 1330 CD2 LEU A 87 -2.384 14.982 2.216 1.00 61.20 C ATOM 0 H LEU A 87 -3.964 17.762 0.926 1.00 65.04 H new ATOM 0 HA LEU A 87 -4.050 15.107 0.103 1.00 2.02 H new ATOM 0 HB2 LEU A 87 -4.562 16.689 2.473 1.00 4.50 H new ATOM 0 HB3 LEU A 87 -5.791 15.449 2.324 1.00 4.50 H new ATOM 0 HG LEU A 87 -3.874 14.768 3.727 1.00 41.20 H new ATOM 0 HD11 LEU A 87 -3.523 12.565 2.681 1.00 54.40 H new ATOM 0 HD12 LEU A 87 -5.226 13.073 2.594 1.00 54.40 H new ATOM 0 HD13 LEU A 87 -4.189 13.189 1.153 1.00 54.40 H new ATOM 0 HD21 LEU A 87 -1.716 14.243 2.658 1.00 61.20 H new ATOM 0 HD22 LEU A 87 -2.310 14.934 1.130 1.00 61.20 H new ATOM 0 HD23 LEU A 87 -2.099 15.978 2.555 1.00 61.20 H new ATOM 1342 N LYS A 88 -6.994 16.603 0.064 1.00 0.13 N ATOM 1343 CA LYS A 88 -8.353 16.501 -0.452 1.00 72.22 C ATOM 1344 C LYS A 88 -8.360 16.526 -1.978 1.00 31.44 C ATOM 1345 O LYS A 88 -8.825 15.586 -2.622 1.00 12.15 O ATOM 1346 CB LYS A 88 -9.215 17.644 0.091 1.00 1.30 C ATOM 1347 CG LYS A 88 -9.829 17.351 1.449 1.00 4.11 C ATOM 1348 CD LYS A 88 -9.476 18.425 2.464 1.00 60.31 C ATOM 1349 CE LYS A 88 -10.668 18.776 3.340 1.00 54.24 C ATOM 1350 NZ LYS A 88 -11.679 19.582 2.602 1.00 54.53 N ATOM 0 H LYS A 88 -6.786 17.486 0.530 1.00 0.13 H new ATOM 0 HA LYS A 88 -8.770 15.550 -0.120 1.00 72.22 H new ATOM 0 HB2 LYS A 88 -8.605 18.545 0.164 1.00 1.30 H new ATOM 0 HB3 LYS A 88 -10.013 17.856 -0.621 1.00 1.30 H new ATOM 0 HG2 LYS A 88 -10.913 17.283 1.352 1.00 4.11 H new ATOM 0 HG3 LYS A 88 -9.479 16.382 1.806 1.00 4.11 H new ATOM 0 HD2 LYS A 88 -8.653 18.080 3.089 1.00 60.31 H new ATOM 0 HD3 LYS A 88 -9.129 19.318 1.945 1.00 60.31 H new ATOM 0 HE2 LYS A 88 -11.131 17.860 3.707 1.00 54.24 H new ATOM 0 HE3 LYS A 88 -10.326 19.333 4.213 1.00 54.24 H new ATOM 0 HZ1 LYS A 88 -12.574 19.587 3.132 1.00 54.53 H new ATOM 0 HZ2 LYS A 88 -11.334 20.557 2.495 1.00 54.53 H new ATOM 0 HZ3 LYS A 88 -11.836 19.165 1.662 1.00 54.53 H new ATOM 1364 N VAL A 89 -7.839 17.607 -2.549 1.00 10.52 N ATOM 1365 CA VAL A 89 -7.782 17.753 -3.998 1.00 65.32 C ATOM 1366 C VAL A 89 -7.169 16.519 -4.651 1.00 41.40 C ATOM 1367 O VAL A 89 -7.529 16.152 -5.770 1.00 72.14 O ATOM 1368 CB VAL A 89 -6.967 18.995 -4.406 1.00 25.43 C ATOM 1369 CG1 VAL A 89 -6.890 19.110 -5.921 1.00 61.10 C ATOM 1370 CG2 VAL A 89 -7.570 20.251 -3.797 1.00 64.15 C ATOM 0 H VAL A 89 -7.450 18.394 -2.030 1.00 10.52 H new ATOM 0 HA VAL A 89 -8.809 17.872 -4.345 1.00 65.32 H new ATOM 0 HB VAL A 89 -5.953 18.884 -4.023 1.00 25.43 H new ATOM 0 HG11 VAL A 89 -6.311 19.993 -6.190 1.00 61.10 H new ATOM 0 HG12 VAL A 89 -6.408 18.222 -6.329 1.00 61.10 H new ATOM 0 HG13 VAL A 89 -7.896 19.198 -6.331 1.00 61.10 H new ATOM 0 HG21 VAL A 89 -6.982 21.119 -4.096 1.00 64.15 H new ATOM 0 HG22 VAL A 89 -8.595 20.369 -4.148 1.00 64.15 H new ATOM 0 HG23 VAL A 89 -7.566 20.166 -2.710 1.00 64.15 H new ATOM 1380 N PHE A 90 -6.241 15.883 -3.945 1.00 64.15 N ATOM 1381 CA PHE A 90 -5.577 14.689 -4.457 1.00 23.23 C ATOM 1382 C PHE A 90 -6.452 13.454 -4.262 1.00 3.32 C ATOM 1383 O PHE A 90 -6.454 12.545 -5.092 1.00 5.04 O ATOM 1384 CB PHE A 90 -4.231 14.490 -3.757 1.00 20.42 C ATOM 1385 CG PHE A 90 -3.474 13.286 -4.244 1.00 14.33 C ATOM 1386 CD1 PHE A 90 -2.879 13.286 -5.494 1.00 25.45 C ATOM 1387 CD2 PHE A 90 -3.359 12.157 -3.449 1.00 41.04 C ATOM 1388 CE1 PHE A 90 -2.182 12.181 -5.945 1.00 2.22 C ATOM 1389 CE2 PHE A 90 -2.663 11.049 -3.895 1.00 72.41 C ATOM 1390 CZ PHE A 90 -2.074 11.060 -5.145 1.00 52.32 C ATOM 0 H PHE A 90 -5.931 16.173 -3.018 1.00 64.15 H new ATOM 0 HA PHE A 90 -5.407 14.827 -5.525 1.00 23.23 H new ATOM 0 HB2 PHE A 90 -3.618 15.379 -3.906 1.00 20.42 H new ATOM 0 HB3 PHE A 90 -4.399 14.394 -2.684 1.00 20.42 H new ATOM 0 HD1 PHE A 90 -2.960 14.159 -6.124 1.00 25.45 H new ATOM 0 HD2 PHE A 90 -3.818 12.142 -2.471 1.00 41.04 H new ATOM 0 HE1 PHE A 90 -1.722 12.194 -6.922 1.00 2.22 H new ATOM 0 HE2 PHE A 90 -2.580 10.175 -3.266 1.00 72.41 H new ATOM 0 HZ PHE A 90 -1.531 10.195 -5.495 1.00 52.32 H new ATOM 1400 N ALA A 91 -7.194 13.429 -3.160 1.00 2.51 N ATOM 1401 CA ALA A 91 -8.075 12.309 -2.857 1.00 22.24 C ATOM 1402 C ALA A 91 -9.259 12.265 -3.817 1.00 3.34 C ATOM 1403 O ALA A 91 -9.598 11.210 -4.352 1.00 73.50 O ATOM 1404 CB ALA A 91 -8.562 12.395 -1.418 1.00 65.44 C ATOM 0 H ALA A 91 -7.202 14.173 -2.462 1.00 2.51 H new ATOM 0 HA ALA A 91 -7.506 11.388 -2.982 1.00 22.24 H new ATOM 0 HB1 ALA A 91 -9.219 11.552 -1.205 1.00 65.44 H new ATOM 0 HB2 ALA A 91 -7.707 12.368 -0.742 1.00 65.44 H new ATOM 0 HB3 ALA A 91 -9.109 13.327 -1.274 1.00 65.44 H new ATOM 1410 N VAL A 92 -9.883 13.419 -4.032 1.00 32.23 N ATOM 1411 CA VAL A 92 -11.029 13.512 -4.928 1.00 51.22 C ATOM 1412 C VAL A 92 -10.602 13.367 -6.384 1.00 25.31 C ATOM 1413 O VAL A 92 -11.150 12.551 -7.125 1.00 32.24 O ATOM 1414 CB VAL A 92 -11.770 14.851 -4.754 1.00 33.31 C ATOM 1415 CG1 VAL A 92 -13.070 14.849 -5.544 1.00 44.32 C ATOM 1416 CG2 VAL A 92 -12.034 15.125 -3.280 1.00 44.15 C ATOM 0 H VAL A 92 -9.614 14.302 -3.598 1.00 32.23 H new ATOM 0 HA VAL A 92 -11.702 12.695 -4.666 1.00 51.22 H new ATOM 0 HB VAL A 92 -11.138 15.649 -5.142 1.00 33.31 H new ATOM 0 HG11 VAL A 92 -13.579 15.803 -5.409 1.00 44.32 H new ATOM 0 HG12 VAL A 92 -12.853 14.700 -6.602 1.00 44.32 H new ATOM 0 HG13 VAL A 92 -13.711 14.042 -5.188 1.00 44.32 H new ATOM 0 HG21 VAL A 92 -12.558 16.075 -3.175 1.00 44.15 H new ATOM 0 HG22 VAL A 92 -12.647 14.325 -2.865 1.00 44.15 H new ATOM 0 HG23 VAL A 92 -11.086 15.172 -2.743 1.00 44.15 H new ATOM 1426 N ALA A 93 -9.618 14.164 -6.789 1.00 34.03 N ATOM 1427 CA ALA A 93 -9.114 14.123 -8.156 1.00 63.43 C ATOM 1428 C ALA A 93 -8.311 12.851 -8.407 1.00 71.41 C ATOM 1429 O ALA A 93 -8.012 12.509 -9.550 1.00 62.14 O ATOM 1430 CB ALA A 93 -8.264 15.351 -8.443 1.00 72.12 C ATOM 0 H ALA A 93 -9.154 14.846 -6.189 1.00 34.03 H new ATOM 0 HA ALA A 93 -9.969 14.121 -8.832 1.00 63.43 H new ATOM 0 HB1 ALA A 93 -7.895 15.306 -9.468 1.00 72.12 H new ATOM 0 HB2 ALA A 93 -8.867 16.249 -8.314 1.00 72.12 H new ATOM 0 HB3 ALA A 93 -7.420 15.378 -7.754 1.00 72.12 H new ATOM 1436 N GLY A 94 -7.963 12.154 -7.329 1.00 43.25 N ATOM 1437 CA GLY A 94 -7.197 10.928 -7.454 1.00 21.11 C ATOM 1438 C GLY A 94 -8.055 9.688 -7.298 1.00 44.43 C ATOM 1439 O GLY A 94 -8.406 9.038 -8.284 1.00 23.34 O ATOM 0 H GLY A 94 -8.198 12.417 -6.372 1.00 43.25 H new ATOM 0 HA2 GLY A 94 -6.708 10.907 -8.428 1.00 21.11 H new ATOM 0 HA3 GLY A 94 -6.409 10.918 -6.701 1.00 21.11 H new ATOM 1443 N LEU A 95 -8.394 9.359 -6.057 1.00 31.21 N ATOM 1444 CA LEU A 95 -9.217 8.186 -5.774 1.00 43.41 C ATOM 1445 C LEU A 95 -10.575 8.296 -6.460 1.00 13.03 C ATOM 1446 O LEU A 95 -11.009 7.375 -7.152 1.00 74.31 O ATOM 1447 CB LEU A 95 -9.406 8.024 -4.265 1.00 72.14 C ATOM 1448 CG LEU A 95 -8.208 7.469 -3.495 1.00 21.05 C ATOM 1449 CD1 LEU A 95 -7.750 6.150 -4.096 1.00 63.21 C ATOM 1450 CD2 LEU A 95 -7.067 8.476 -3.483 1.00 41.50 C ATOM 0 H LEU A 95 -8.113 9.886 -5.230 1.00 31.21 H new ATOM 0 HA LEU A 95 -8.703 7.308 -6.166 1.00 43.41 H new ATOM 0 HB2 LEU A 95 -9.664 8.996 -3.845 1.00 72.14 H new ATOM 0 HB3 LEU A 95 -10.259 7.367 -4.094 1.00 72.14 H new ATOM 0 HG LEU A 95 -8.517 7.288 -2.465 1.00 21.05 H new ATOM 0 HD11 LEU A 95 -6.896 5.771 -3.534 1.00 63.21 H new ATOM 0 HD12 LEU A 95 -8.564 5.427 -4.050 1.00 63.21 H new ATOM 0 HD13 LEU A 95 -7.460 6.305 -5.135 1.00 63.21 H new ATOM 0 HD21 LEU A 95 -6.223 8.063 -2.930 1.00 41.50 H new ATOM 0 HD22 LEU A 95 -6.760 8.691 -4.507 1.00 41.50 H new ATOM 0 HD23 LEU A 95 -7.399 9.397 -3.003 1.00 41.50 H new ATOM 1462 N LEU A 96 -11.240 9.429 -6.265 1.00 52.45 N ATOM 1463 CA LEU A 96 -12.549 9.661 -6.867 1.00 13.45 C ATOM 1464 C LEU A 96 -12.418 9.950 -8.359 1.00 73.05 C ATOM 1465 O LEU A 96 -13.416 10.029 -9.075 1.00 11.21 O ATOM 1466 CB LEU A 96 -13.253 10.827 -6.169 1.00 64.45 C ATOM 1467 CG LEU A 96 -14.699 10.576 -5.739 1.00 22.11 C ATOM 1468 CD1 LEU A 96 -15.591 10.376 -6.955 1.00 2.32 C ATOM 1469 CD2 LEU A 96 -14.779 9.371 -4.813 1.00 11.04 C ATOM 0 H LEU A 96 -10.895 10.201 -5.695 1.00 52.45 H new ATOM 0 HA LEU A 96 -13.145 8.757 -6.742 1.00 13.45 H new ATOM 0 HB2 LEU A 96 -12.674 11.099 -5.286 1.00 64.45 H new ATOM 0 HB3 LEU A 96 -13.238 11.688 -6.838 1.00 64.45 H new ATOM 0 HG LEU A 96 -15.053 11.452 -5.195 1.00 22.11 H new ATOM 0 HD11 LEU A 96 -16.616 10.199 -6.629 1.00 2.32 H new ATOM 0 HD12 LEU A 96 -15.558 11.268 -7.581 1.00 2.32 H new ATOM 0 HD13 LEU A 96 -15.239 9.518 -7.527 1.00 2.32 H new ATOM 0 HD21 LEU A 96 -15.815 9.208 -4.517 1.00 11.04 H new ATOM 0 HD22 LEU A 96 -14.406 8.488 -5.332 1.00 11.04 H new ATOM 0 HD23 LEU A 96 -14.173 9.553 -3.926 1.00 11.04 H new ATOM 1481 N ASN A 97 -11.182 10.105 -8.820 1.00 61.34 N ATOM 1482 CA ASN A 97 -10.921 10.383 -10.228 1.00 11.51 C ATOM 1483 C ASN A 97 -11.772 11.551 -10.718 1.00 4.52 C ATOM 1484 O ASN A 97 -12.152 11.608 -11.887 1.00 30.20 O ATOM 1485 CB ASN A 97 -11.204 9.142 -11.077 1.00 32.13 C ATOM 1486 CG ASN A 97 -10.323 9.071 -12.309 1.00 54.45 C ATOM 1487 OD1 ASN A 97 -10.652 9.634 -13.353 1.00 52.41 O ATOM 1488 ND2 ASN A 97 -9.198 8.376 -12.194 1.00 12.41 N ATOM 0 H ASN A 97 -10.345 10.043 -8.240 1.00 61.34 H new ATOM 0 HA ASN A 97 -9.870 10.652 -10.330 1.00 11.51 H new ATOM 0 HB2 ASN A 97 -11.050 8.248 -10.472 1.00 32.13 H new ATOM 0 HB3 ASN A 97 -12.251 9.145 -11.382 1.00 32.13 H new ATOM 0 HD21 ASN A 97 -8.566 8.292 -12.991 1.00 12.41 H new ATOM 0 HD22 ASN A 97 -8.965 7.925 -11.309 1.00 12.41 H new ATOM 1495 N MET A 98 -12.065 12.482 -9.816 1.00 71.52 N ATOM 1496 CA MET A 98 -12.869 13.650 -10.157 1.00 52.00 C ATOM 1497 C MET A 98 -12.029 14.695 -10.886 1.00 24.54 C ATOM 1498 O MET A 98 -10.801 14.610 -10.912 1.00 61.31 O ATOM 1499 CB MET A 98 -13.481 14.261 -8.895 1.00 54.23 C ATOM 1500 CG MET A 98 -14.999 14.337 -8.931 1.00 73.40 C ATOM 1501 SD MET A 98 -15.644 15.764 -8.038 1.00 52.23 S ATOM 1502 CE MET A 98 -16.412 14.965 -6.632 1.00 31.04 C ATOM 0 H MET A 98 -11.758 12.450 -8.844 1.00 71.52 H new ATOM 0 HA MET A 98 -13.671 13.326 -10.821 1.00 52.00 H new ATOM 0 HB2 MET A 98 -13.175 13.671 -8.031 1.00 54.23 H new ATOM 0 HB3 MET A 98 -13.078 15.264 -8.755 1.00 54.23 H new ATOM 0 HG2 MET A 98 -15.332 14.381 -9.968 1.00 73.40 H new ATOM 0 HG3 MET A 98 -15.415 13.426 -8.501 1.00 73.40 H new ATOM 0 HE1 MET A 98 -16.538 15.689 -5.827 1.00 31.04 H new ATOM 0 HE2 MET A 98 -17.386 14.573 -6.924 1.00 31.04 H new ATOM 0 HE3 MET A 98 -15.779 14.146 -6.288 1.00 31.04 H new ATOM 1512 N THR A 99 -12.699 15.679 -11.476 1.00 21.11 N ATOM 1513 CA THR A 99 -12.014 16.739 -12.206 1.00 32.00 C ATOM 1514 C THR A 99 -11.997 18.036 -11.405 1.00 61.20 C ATOM 1515 O THR A 99 -12.610 19.028 -11.800 1.00 11.35 O ATOM 1516 CB THR A 99 -12.677 17.000 -13.571 1.00 71.34 C ATOM 1517 OG1 THR A 99 -14.101 17.043 -13.424 1.00 61.23 O ATOM 1518 CG2 THR A 99 -12.298 15.919 -14.572 1.00 70.05 C ATOM 0 H THR A 99 -13.715 15.764 -11.463 1.00 21.11 H new ATOM 0 HA THR A 99 -10.990 16.401 -12.367 1.00 32.00 H new ATOM 0 HB THR A 99 -12.322 17.960 -13.945 1.00 71.34 H new ATOM 0 HG1 THR A 99 -14.347 17.788 -12.836 1.00 61.23 H new ATOM 0 HG21 THR A 99 -12.778 16.125 -15.529 1.00 70.05 H new ATOM 0 HG22 THR A 99 -11.216 15.908 -14.704 1.00 70.05 H new ATOM 0 HG23 THR A 99 -12.628 14.948 -14.202 1.00 70.05 H new ATOM 1526 N VAL A 100 -11.292 18.022 -10.279 1.00 24.04 N ATOM 1527 CA VAL A 100 -11.194 19.199 -9.423 1.00 25.54 C ATOM 1528 C VAL A 100 -10.772 20.426 -10.224 1.00 14.23 C ATOM 1529 O VAL A 100 -9.701 20.447 -10.828 1.00 62.34 O ATOM 1530 CB VAL A 100 -10.189 18.976 -8.277 1.00 72.21 C ATOM 1531 CG1 VAL A 100 -10.076 20.225 -7.417 1.00 12.31 C ATOM 1532 CG2 VAL A 100 -10.597 17.776 -7.437 1.00 21.42 C ATOM 0 H VAL A 100 -10.780 17.209 -9.938 1.00 24.04 H new ATOM 0 HA VAL A 100 -12.184 19.368 -9.000 1.00 25.54 H new ATOM 0 HB VAL A 100 -9.210 18.771 -8.710 1.00 72.21 H new ATOM 0 HG11 VAL A 100 -9.362 20.049 -6.612 1.00 12.31 H new ATOM 0 HG12 VAL A 100 -9.734 21.059 -8.030 1.00 12.31 H new ATOM 0 HG13 VAL A 100 -11.051 20.463 -6.991 1.00 12.31 H new ATOM 0 HG21 VAL A 100 -9.876 17.633 -6.632 1.00 21.42 H new ATOM 0 HG22 VAL A 100 -11.586 17.949 -7.012 1.00 21.42 H new ATOM 0 HG23 VAL A 100 -10.622 16.885 -8.064 1.00 21.42 H new ATOM 1542 N SER A 101 -11.622 21.447 -10.220 1.00 1.22 N ATOM 1543 CA SER A 101 -11.340 22.679 -10.949 1.00 23.04 C ATOM 1544 C SER A 101 -10.303 23.521 -10.211 1.00 30.52 C ATOM 1545 O SER A 101 -9.296 23.933 -10.787 1.00 60.31 O ATOM 1546 CB SER A 101 -12.624 23.487 -11.144 1.00 41.32 C ATOM 1547 OG SER A 101 -12.963 23.582 -12.516 1.00 61.34 O ATOM 0 H SER A 101 -12.511 21.446 -9.721 1.00 1.22 H new ATOM 0 HA SER A 101 -10.937 22.410 -11.925 1.00 23.04 H new ATOM 0 HB2 SER A 101 -13.440 23.016 -10.596 1.00 41.32 H new ATOM 0 HB3 SER A 101 -12.495 24.486 -10.728 1.00 41.32 H new ATOM 0 HG SER A 101 -13.788 24.102 -12.614 1.00 61.34 H new ATOM 1553 N THR A 102 -10.558 23.774 -8.930 1.00 24.42 N ATOM 1554 CA THR A 102 -9.649 24.566 -8.113 1.00 54.21 C ATOM 1555 C THR A 102 -9.437 23.925 -6.746 1.00 15.04 C ATOM 1556 O THR A 102 -10.273 23.155 -6.276 1.00 71.40 O ATOM 1557 CB THR A 102 -10.175 26.001 -7.918 1.00 51.02 C ATOM 1558 OG1 THR A 102 -11.279 25.998 -7.005 1.00 12.05 O ATOM 1559 CG2 THR A 102 -10.611 26.602 -9.246 1.00 11.21 C ATOM 0 H THR A 102 -11.387 23.441 -8.437 1.00 24.42 H new ATOM 0 HA THR A 102 -8.698 24.604 -8.645 1.00 54.21 H new ATOM 0 HB THR A 102 -9.367 26.608 -7.509 1.00 51.02 H new ATOM 0 HG1 THR A 102 -11.607 26.914 -6.885 1.00 12.05 H new ATOM 0 HG21 THR A 102 -10.979 27.615 -9.084 1.00 11.21 H new ATOM 0 HG22 THR A 102 -9.762 26.629 -9.929 1.00 11.21 H new ATOM 0 HG23 THR A 102 -11.405 25.993 -9.678 1.00 11.21 H new ATOM 1567 N ALA A 103 -8.315 24.250 -6.112 1.00 72.15 N ATOM 1568 CA ALA A 103 -7.995 23.707 -4.798 1.00 62.22 C ATOM 1569 C ALA A 103 -9.148 23.918 -3.822 1.00 1.13 C ATOM 1570 O ALA A 103 -9.476 23.032 -3.033 1.00 45.13 O ATOM 1571 CB ALA A 103 -6.723 24.342 -4.260 1.00 4.43 C ATOM 0 H ALA A 103 -7.612 24.887 -6.488 1.00 72.15 H new ATOM 0 HA ALA A 103 -7.835 22.634 -4.904 1.00 62.22 H new ATOM 0 HB1 ALA A 103 -6.496 23.927 -3.278 1.00 4.43 H new ATOM 0 HB2 ALA A 103 -5.897 24.135 -4.941 1.00 4.43 H new ATOM 0 HB3 ALA A 103 -6.862 25.420 -4.175 1.00 4.43 H new ATOM 1577 N ALA A 104 -9.759 25.097 -3.880 1.00 24.25 N ATOM 1578 CA ALA A 104 -10.874 25.424 -3.002 1.00 73.11 C ATOM 1579 C ALA A 104 -12.106 24.592 -3.346 1.00 24.31 C ATOM 1580 O ALA A 104 -12.871 24.206 -2.464 1.00 21.50 O ATOM 1581 CB ALA A 104 -11.197 26.908 -3.089 1.00 71.13 C ATOM 0 H ALA A 104 -9.500 25.842 -4.527 1.00 24.25 H new ATOM 0 HA ALA A 104 -10.581 25.186 -1.979 1.00 73.11 H new ATOM 0 HB1 ALA A 104 -12.032 27.138 -2.428 1.00 71.13 H new ATOM 0 HB2 ALA A 104 -10.325 27.488 -2.788 1.00 71.13 H new ATOM 0 HB3 ALA A 104 -11.465 27.162 -4.114 1.00 71.13 H new ATOM 1587 N ALA A 105 -12.289 24.320 -4.634 1.00 5.03 N ATOM 1588 CA ALA A 105 -13.426 23.532 -5.094 1.00 5.41 C ATOM 1589 C ALA A 105 -13.403 22.131 -4.492 1.00 13.25 C ATOM 1590 O ALA A 105 -14.440 21.598 -4.098 1.00 14.23 O ATOM 1591 CB ALA A 105 -13.435 23.455 -6.613 1.00 25.11 C ATOM 0 H ALA A 105 -11.665 24.634 -5.377 1.00 5.03 H new ATOM 0 HA ALA A 105 -14.338 24.027 -4.761 1.00 5.41 H new ATOM 0 HB1 ALA A 105 -14.289 22.864 -6.942 1.00 25.11 H new ATOM 0 HB2 ALA A 105 -13.508 24.460 -7.028 1.00 25.11 H new ATOM 0 HB3 ALA A 105 -12.514 22.986 -6.959 1.00 25.11 H new ATOM 1597 N ALA A 106 -12.214 21.541 -4.424 1.00 72.03 N ATOM 1598 CA ALA A 106 -12.058 20.203 -3.867 1.00 64.24 C ATOM 1599 C ALA A 106 -12.300 20.201 -2.362 1.00 41.51 C ATOM 1600 O ALA A 106 -13.067 19.387 -1.850 1.00 31.13 O ATOM 1601 CB ALA A 106 -10.671 19.660 -4.181 1.00 52.42 C ATOM 0 H ALA A 106 -11.346 21.968 -4.747 1.00 72.03 H new ATOM 0 HA ALA A 106 -12.804 19.556 -4.328 1.00 64.24 H new ATOM 0 HB1 ALA A 106 -10.568 18.660 -3.759 1.00 52.42 H new ATOM 0 HB2 ALA A 106 -10.534 19.614 -5.261 1.00 52.42 H new ATOM 0 HB3 ALA A 106 -9.917 20.316 -3.747 1.00 52.42 H new ATOM 1607 N GLU A 107 -11.642 21.119 -1.660 1.00 63.12 N ATOM 1608 CA GLU A 107 -11.786 21.221 -0.213 1.00 42.22 C ATOM 1609 C GLU A 107 -13.252 21.390 0.177 1.00 71.45 C ATOM 1610 O GLU A 107 -13.741 20.733 1.095 1.00 2.04 O ATOM 1611 CB GLU A 107 -10.966 22.396 0.321 1.00 11.44 C ATOM 1612 CG GLU A 107 -9.647 21.981 0.952 1.00 52.31 C ATOM 1613 CD GLU A 107 -9.592 22.276 2.439 1.00 54.33 C ATOM 1614 OE1 GLU A 107 -8.485 22.538 2.951 1.00 62.21 O ATOM 1615 OE2 GLU A 107 -10.658 22.244 3.089 1.00 33.12 O ATOM 0 H GLU A 107 -11.005 21.802 -2.070 1.00 63.12 H new ATOM 0 HA GLU A 107 -11.414 20.297 0.230 1.00 42.22 H new ATOM 0 HB2 GLU A 107 -10.766 23.090 -0.496 1.00 11.44 H new ATOM 0 HB3 GLU A 107 -11.559 22.936 1.060 1.00 11.44 H new ATOM 0 HG2 GLU A 107 -9.492 20.914 0.791 1.00 52.31 H new ATOM 0 HG3 GLU A 107 -8.830 22.501 0.452 1.00 52.31 H new ATOM 1622 N ASN A 108 -13.946 22.277 -0.528 1.00 74.25 N ATOM 1623 CA ASN A 108 -15.356 22.535 -0.256 1.00 34.12 C ATOM 1624 C ASN A 108 -16.218 21.348 -0.679 1.00 11.43 C ATOM 1625 O ASN A 108 -17.221 21.038 -0.038 1.00 34.31 O ATOM 1626 CB ASN A 108 -15.815 23.799 -0.985 1.00 72.11 C ATOM 1627 CG ASN A 108 -17.106 24.357 -0.417 1.00 54.12 C ATOM 1628 OD1 ASN A 108 -17.725 23.753 0.459 1.00 33.32 O ATOM 1629 ND2 ASN A 108 -17.518 25.518 -0.914 1.00 71.54 N ATOM 0 H ASN A 108 -13.556 22.829 -1.292 1.00 74.25 H new ATOM 0 HA ASN A 108 -15.472 22.681 0.818 1.00 34.12 H new ATOM 0 HB2 ASN A 108 -15.035 24.557 -0.919 1.00 72.11 H new ATOM 0 HB3 ASN A 108 -15.953 23.575 -2.043 1.00 72.11 H new ATOM 0 HD21 ASN A 108 -18.379 25.943 -0.570 1.00 71.54 H new ATOM 0 HD22 ASN A 108 -16.973 25.984 -1.640 1.00 71.54 H new ATOM 1636 N MET A 109 -15.818 20.691 -1.762 1.00 23.55 N ATOM 1637 CA MET A 109 -16.552 19.537 -2.269 1.00 32.44 C ATOM 1638 C MET A 109 -16.480 18.372 -1.287 1.00 72.22 C ATOM 1639 O MET A 109 -17.495 17.750 -0.971 1.00 50.42 O ATOM 1640 CB MET A 109 -15.997 19.109 -3.628 1.00 3.35 C ATOM 1641 CG MET A 109 -16.712 19.749 -4.807 1.00 73.00 C ATOM 1642 SD MET A 109 -17.807 18.599 -5.662 1.00 24.15 S ATOM 1643 CE MET A 109 -18.632 17.822 -4.275 1.00 11.24 C ATOM 0 H MET A 109 -14.991 20.937 -2.305 1.00 23.55 H new ATOM 0 HA MET A 109 -17.596 19.826 -2.386 1.00 32.44 H new ATOM 0 HB2 MET A 109 -14.938 19.363 -3.675 1.00 3.35 H new ATOM 0 HB3 MET A 109 -16.069 18.025 -3.715 1.00 3.35 H new ATOM 0 HG2 MET A 109 -17.291 20.603 -4.456 1.00 73.00 H new ATOM 0 HG3 MET A 109 -15.973 20.132 -5.511 1.00 73.00 H new ATOM 0 HE1 MET A 109 -19.505 17.274 -4.631 1.00 11.24 H new ATOM 0 HE2 MET A 109 -17.946 17.132 -3.784 1.00 11.24 H new ATOM 0 HE3 MET A 109 -18.948 18.586 -3.565 1.00 11.24 H new ATOM 1653 N TYR A 110 -15.276 18.080 -0.809 1.00 41.24 N ATOM 1654 CA TYR A 110 -15.072 16.988 0.135 1.00 72.13 C ATOM 1655 C TYR A 110 -15.845 17.232 1.426 1.00 13.35 C ATOM 1656 O TYR A 110 -16.515 16.337 1.942 1.00 5.15 O ATOM 1657 CB TYR A 110 -13.583 16.822 0.442 1.00 44.24 C ATOM 1658 CG TYR A 110 -13.157 15.382 0.619 1.00 44.15 C ATOM 1659 CD1 TYR A 110 -13.308 14.462 -0.411 1.00 72.25 C ATOM 1660 CD2 TYR A 110 -12.604 14.943 1.815 1.00 62.45 C ATOM 1661 CE1 TYR A 110 -12.922 13.145 -0.255 1.00 22.13 C ATOM 1662 CE2 TYR A 110 -12.213 13.628 1.980 1.00 52.23 C ATOM 1663 CZ TYR A 110 -12.374 12.732 0.943 1.00 55.50 C ATOM 1664 OH TYR A 110 -11.988 11.422 1.105 1.00 42.43 O ATOM 0 H TYR A 110 -14.426 18.585 -1.060 1.00 41.24 H new ATOM 0 HA TYR A 110 -15.446 16.072 -0.323 1.00 72.13 H new ATOM 0 HB2 TYR A 110 -13.002 17.267 -0.366 1.00 44.24 H new ATOM 0 HB3 TYR A 110 -13.344 17.377 1.349 1.00 44.24 H new ATOM 0 HD1 TYR A 110 -13.735 14.782 -1.350 1.00 72.25 H new ATOM 0 HD2 TYR A 110 -12.478 15.641 2.629 1.00 62.45 H new ATOM 0 HE1 TYR A 110 -13.048 12.442 -1.065 1.00 22.13 H new ATOM 0 HE2 TYR A 110 -11.783 13.303 2.916 1.00 52.23 H new ATOM 0 HH TYR A 110 -11.074 11.391 1.457 1.00 42.43 H new ATOM 1674 N SER A 111 -15.747 18.453 1.945 1.00 63.53 N ATOM 1675 CA SER A 111 -16.434 18.816 3.178 1.00 15.24 C ATOM 1676 C SER A 111 -17.946 18.834 2.975 1.00 64.01 C ATOM 1677 O SER A 111 -18.700 18.314 3.797 1.00 3.34 O ATOM 1678 CB SER A 111 -15.958 20.186 3.667 1.00 35.43 C ATOM 1679 OG SER A 111 -16.934 21.183 3.420 1.00 32.01 O ATOM 0 H SER A 111 -15.199 19.206 1.530 1.00 63.53 H new ATOM 0 HA SER A 111 -16.196 18.065 3.931 1.00 15.24 H new ATOM 0 HB2 SER A 111 -15.743 20.140 4.735 1.00 35.43 H new ATOM 0 HB3 SER A 111 -15.027 20.451 3.165 1.00 35.43 H new ATOM 0 HG SER A 111 -16.607 22.048 3.743 1.00 32.01 H new ATOM 1685 N GLN A 112 -18.380 19.435 1.872 1.00 60.25 N ATOM 1686 CA GLN A 112 -19.802 19.522 1.559 1.00 22.53 C ATOM 1687 C GLN A 112 -20.399 18.133 1.353 1.00 53.23 C ATOM 1688 O GLN A 112 -21.501 17.846 1.819 1.00 34.41 O ATOM 1689 CB GLN A 112 -20.020 20.374 0.308 1.00 34.30 C ATOM 1690 CG GLN A 112 -21.485 20.621 -0.012 1.00 51.10 C ATOM 1691 CD GLN A 112 -22.106 21.681 0.874 1.00 12.04 C ATOM 1692 OE1 GLN A 112 -21.819 22.870 0.734 1.00 12.34 O ATOM 1693 NE2 GLN A 112 -22.963 21.256 1.796 1.00 22.33 N ATOM 0 H GLN A 112 -17.768 19.869 1.181 1.00 60.25 H new ATOM 0 HA GLN A 112 -20.306 19.994 2.403 1.00 22.53 H new ATOM 0 HB2 GLN A 112 -19.519 21.333 0.440 1.00 34.30 H new ATOM 0 HB3 GLN A 112 -19.549 19.882 -0.543 1.00 34.30 H new ATOM 0 HG2 GLN A 112 -21.579 20.924 -1.055 1.00 51.10 H new ATOM 0 HG3 GLN A 112 -22.039 19.689 0.100 1.00 51.10 H new ATOM 0 HE21 GLN A 112 -23.172 20.261 1.878 1.00 22.33 H new ATOM 0 HE22 GLN A 112 -23.412 21.925 2.422 1.00 22.33 H new ATOM 1702 N MET A 113 -19.665 17.276 0.651 1.00 4.23 N ATOM 1703 CA MET A 113 -20.121 15.918 0.384 1.00 51.04 C ATOM 1704 C MET A 113 -20.285 15.134 1.683 1.00 51.23 C ATOM 1705 O MET A 113 -20.943 14.095 1.713 1.00 22.51 O ATOM 1706 CB MET A 113 -19.137 15.198 -0.539 1.00 21.31 C ATOM 1707 CG MET A 113 -19.342 15.515 -2.012 1.00 74.50 C ATOM 1708 SD MET A 113 -20.369 14.292 -2.849 1.00 25.32 S ATOM 1709 CE MET A 113 -19.133 13.396 -3.786 1.00 32.13 C ATOM 0 H MET A 113 -18.751 17.499 0.257 1.00 4.23 H new ATOM 0 HA MET A 113 -21.091 15.978 -0.109 1.00 51.04 H new ATOM 0 HB2 MET A 113 -18.120 15.470 -0.255 1.00 21.31 H new ATOM 0 HB3 MET A 113 -19.233 14.122 -0.390 1.00 21.31 H new ATOM 0 HG2 MET A 113 -19.804 16.498 -2.107 1.00 74.50 H new ATOM 0 HG3 MET A 113 -18.372 15.569 -2.506 1.00 74.50 H new ATOM 0 HE1 MET A 113 -19.614 12.603 -4.359 1.00 32.13 H new ATOM 0 HE2 MET A 113 -18.627 14.080 -4.467 1.00 32.13 H new ATOM 0 HE3 MET A 113 -18.405 12.959 -3.103 1.00 32.13 H new ATOM 1719 N GLY A 114 -19.682 15.640 2.754 1.00 41.21 N ATOM 1720 CA GLY A 114 -19.772 14.974 4.040 1.00 73.00 C ATOM 1721 C GLY A 114 -18.555 14.122 4.340 1.00 41.42 C ATOM 1722 O GLY A 114 -18.609 13.221 5.178 1.00 45.53 O ATOM 0 H GLY A 114 -19.133 16.499 2.754 1.00 41.21 H new ATOM 0 HA2 GLY A 114 -19.891 15.721 4.825 1.00 73.00 H new ATOM 0 HA3 GLY A 114 -20.664 14.347 4.059 1.00 73.00 H new ATOM 1726 N LEU A 115 -17.454 14.406 3.652 1.00 32.35 N ATOM 1727 CA LEU A 115 -16.216 13.658 3.848 1.00 72.04 C ATOM 1728 C LEU A 115 -15.287 14.385 4.815 1.00 71.45 C ATOM 1729 O LEU A 115 -14.526 13.757 5.551 1.00 61.34 O ATOM 1730 CB LEU A 115 -15.510 13.443 2.508 1.00 52.52 C ATOM 1731 CG LEU A 115 -16.303 12.681 1.446 1.00 53.34 C ATOM 1732 CD1 LEU A 115 -16.477 13.530 0.197 1.00 51.41 C ATOM 1733 CD2 LEU A 115 -15.616 11.366 1.108 1.00 13.43 C ATOM 0 H LEU A 115 -17.393 15.148 2.954 1.00 32.35 H new ATOM 0 HA LEU A 115 -16.470 12.689 4.278 1.00 72.04 H new ATOM 0 HB2 LEU A 115 -15.241 14.418 2.102 1.00 52.52 H new ATOM 0 HB3 LEU A 115 -14.579 12.906 2.692 1.00 52.52 H new ATOM 0 HG LEU A 115 -17.291 12.459 1.849 1.00 53.34 H new ATOM 0 HD11 LEU A 115 -17.044 12.971 -0.547 1.00 51.41 H new ATOM 0 HD12 LEU A 115 -17.014 14.444 0.450 1.00 51.41 H new ATOM 0 HD13 LEU A 115 -15.498 13.785 -0.209 1.00 51.41 H new ATOM 0 HD21 LEU A 115 -16.195 10.837 0.351 1.00 13.43 H new ATOM 0 HD22 LEU A 115 -14.615 11.566 0.726 1.00 13.43 H new ATOM 0 HD23 LEU A 115 -15.546 10.751 2.005 1.00 13.43 H new