USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 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 88 LYS NZ :NH3+ 172:sc= -1.19 (180deg=-1.51) USER MOD Set 1.2: A 111 SER OG : rot 74:sc= 0.711 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 -17:sc= -0.084 USER MOD Single : A 17 SER OG : rot 79:sc= 0.785 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.0716 K(o=0.072,f=-1.2) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.893 K(o=-0.89,f=-1.6!) USER MOD Single : A 45 SER OG : rot 95:sc= 1 USER MOD Single : A 46 THR OG1 : rot 27:sc= 1.14 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 59 GLN : amide:sc= -7.3! C(o=-7.3!,f=-9.1!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.052 USER MOD Single : A 77 SER OG : rot 121:sc= 0.233 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= -0.0754 (180deg=-0.536) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -66:sc= 1.04 USER MOD Single : A 97 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.1) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 30:sc= -0.593 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 2.597 3.754 -8.594 1.00 22.33 N ATOM 47 CA GLY A 6 3.061 3.609 -9.962 1.00 43.21 C ATOM 48 C GLY A 6 2.207 4.382 -10.948 1.00 44.34 C ATOM 49 O GLY A 6 2.281 5.609 -11.014 1.00 64.04 O ATOM 0 HA2 GLY A 6 4.093 3.954 -10.031 1.00 43.21 H new ATOM 0 HA3 GLY A 6 3.059 2.553 -10.233 1.00 43.21 H new ATOM 53 N ARG A 7 1.396 3.663 -11.716 1.00 62.13 N ATOM 54 CA ARG A 7 0.527 4.289 -12.706 1.00 44.33 C ATOM 55 C ARG A 7 -0.435 5.271 -12.042 1.00 5.11 C ATOM 56 O ARG A 7 -0.551 6.422 -12.462 1.00 5.30 O ATOM 57 CB ARG A 7 -0.263 3.224 -13.470 1.00 23.14 C ATOM 58 CG ARG A 7 0.548 2.520 -14.545 1.00 30.31 C ATOM 59 CD ARG A 7 -0.200 1.327 -15.116 1.00 54.24 C ATOM 60 NE ARG A 7 -1.411 1.730 -15.829 1.00 71.32 N ATOM 61 CZ ARG A 7 -2.109 0.915 -16.612 1.00 22.14 C ATOM 62 NH1 ARG A 7 -1.719 -0.341 -16.781 1.00 51.31 N ATOM 63 NH2 ARG A 7 -3.199 1.356 -17.226 1.00 74.15 N ATOM 0 H ARG A 7 1.322 2.647 -11.672 1.00 62.13 H new ATOM 0 HA ARG A 7 1.155 4.839 -13.407 1.00 44.33 H new ATOM 0 HB2 ARG A 7 -0.635 2.482 -12.763 1.00 23.14 H new ATOM 0 HB3 ARG A 7 -1.134 3.690 -13.931 1.00 23.14 H new ATOM 0 HG2 ARG A 7 0.780 3.222 -15.346 1.00 30.31 H new ATOM 0 HG3 ARG A 7 1.498 2.188 -14.127 1.00 30.31 H new ATOM 0 HD2 ARG A 7 0.455 0.779 -15.794 1.00 54.24 H new ATOM 0 HD3 ARG A 7 -0.465 0.645 -14.308 1.00 54.24 H new ATOM 0 HE ARG A 7 -1.738 2.690 -15.719 1.00 71.32 H new ATOM 0 HH11 ARG A 7 -0.882 -0.683 -16.309 1.00 51.31 H new ATOM 0 HH12 ARG A 7 -2.256 -0.965 -17.383 1.00 51.31 H new ATOM 0 HH21 ARG A 7 -3.502 2.321 -17.097 1.00 74.15 H new ATOM 0 HH22 ARG A 7 -3.734 0.730 -17.827 1.00 74.15 H new ATOM 77 N ASP A 8 -1.121 4.807 -11.003 1.00 43.32 N ATOM 78 CA ASP A 8 -2.072 5.643 -10.280 1.00 62.44 C ATOM 79 C ASP A 8 -1.380 6.872 -9.697 1.00 65.13 C ATOM 80 O ASP A 8 -1.991 7.932 -9.556 1.00 10.14 O ATOM 81 CB ASP A 8 -2.743 4.842 -9.163 1.00 23.23 C ATOM 82 CG ASP A 8 -3.487 3.630 -9.687 1.00 31.22 C ATOM 83 OD1 ASP A 8 -3.276 2.524 -9.147 1.00 10.31 O ATOM 84 OD2 ASP A 8 -4.282 3.788 -10.637 1.00 75.42 O ATOM 0 H ASP A 8 -1.036 3.857 -10.643 1.00 43.32 H new ATOM 0 HA ASP A 8 -2.834 5.976 -10.984 1.00 62.44 H new ATOM 0 HB2 ASP A 8 -1.987 4.519 -8.447 1.00 23.23 H new ATOM 0 HB3 ASP A 8 -3.438 5.487 -8.625 1.00 23.23 H new ATOM 89 N TRP A 9 -0.105 6.722 -9.359 1.00 44.33 N ATOM 90 CA TRP A 9 0.669 7.820 -8.789 1.00 13.55 C ATOM 91 C TRP A 9 0.911 8.910 -9.826 1.00 40.02 C ATOM 92 O TRP A 9 0.493 10.055 -9.648 1.00 54.15 O ATOM 93 CB TRP A 9 2.005 7.304 -8.252 1.00 33.11 C ATOM 94 CG TRP A 9 2.560 8.139 -7.138 1.00 51.05 C ATOM 95 CD1 TRP A 9 3.810 8.684 -7.067 1.00 3.40 C ATOM 96 CD2 TRP A 9 1.883 8.523 -5.935 1.00 33.52 C ATOM 97 NE1 TRP A 9 3.952 9.383 -5.892 1.00 71.53 N ATOM 98 CE2 TRP A 9 2.784 9.300 -5.181 1.00 33.21 C ATOM 99 CE3 TRP A 9 0.604 8.287 -5.425 1.00 25.12 C ATOM 100 CZ2 TRP A 9 2.444 9.840 -3.943 1.00 75.44 C ATOM 101 CZ3 TRP A 9 0.269 8.824 -4.196 1.00 34.22 C ATOM 102 CH2 TRP A 9 1.185 9.594 -3.468 1.00 5.34 C ATOM 0 H TRP A 9 0.415 5.852 -9.469 1.00 44.33 H new ATOM 0 HA TRP A 9 0.096 8.248 -7.967 1.00 13.55 H new ATOM 0 HB2 TRP A 9 1.876 6.281 -7.900 1.00 33.11 H new ATOM 0 HB3 TRP A 9 2.728 7.272 -9.067 1.00 33.11 H new ATOM 0 HD1 TRP A 9 4.575 8.581 -7.823 1.00 3.40 H new ATOM 0 HE1 TRP A 9 4.791 9.883 -5.597 1.00 71.53 H new ATOM 0 HE3 TRP A 9 -0.109 7.696 -5.980 1.00 25.12 H new ATOM 0 HZ2 TRP A 9 3.149 10.432 -3.378 1.00 75.44 H new ATOM 0 HZ3 TRP A 9 -0.716 8.647 -3.790 1.00 34.22 H new ATOM 0 HH2 TRP A 9 0.891 10.002 -2.512 1.00 5.34 H new ATOM 113 N LYS A 10 1.589 8.550 -10.911 1.00 52.25 N ATOM 114 CA LYS A 10 1.885 9.498 -11.978 1.00 33.34 C ATOM 115 C LYS A 10 0.602 10.000 -12.632 1.00 61.31 C ATOM 116 O LYS A 10 0.550 11.120 -13.141 1.00 12.44 O ATOM 117 CB LYS A 10 2.786 8.847 -13.030 1.00 73.11 C ATOM 118 CG LYS A 10 3.558 9.847 -13.873 1.00 61.02 C ATOM 119 CD LYS A 10 4.510 9.151 -14.832 1.00 65.12 C ATOM 120 CE LYS A 10 5.878 8.939 -14.201 1.00 34.05 C ATOM 121 NZ LYS A 10 6.832 10.022 -14.568 1.00 1.21 N ATOM 0 H LYS A 10 1.944 7.608 -11.074 1.00 52.25 H new ATOM 0 HA LYS A 10 2.405 10.350 -11.540 1.00 33.34 H new ATOM 0 HB2 LYS A 10 3.492 8.184 -12.531 1.00 73.11 H new ATOM 0 HB3 LYS A 10 2.175 8.227 -13.686 1.00 73.11 H new ATOM 0 HG2 LYS A 10 2.859 10.465 -14.437 1.00 61.02 H new ATOM 0 HG3 LYS A 10 4.121 10.516 -13.222 1.00 61.02 H new ATOM 0 HD2 LYS A 10 4.091 8.189 -15.128 1.00 65.12 H new ATOM 0 HD3 LYS A 10 4.614 9.746 -15.739 1.00 65.12 H new ATOM 0 HE2 LYS A 10 5.775 8.898 -13.117 1.00 34.05 H new ATOM 0 HE3 LYS A 10 6.280 7.977 -14.520 1.00 34.05 H new ATOM 0 HZ1 LYS A 10 7.752 9.841 -14.118 1.00 1.21 H new ATOM 0 HZ2 LYS A 10 6.950 10.045 -15.601 1.00 1.21 H new ATOM 0 HZ3 LYS A 10 6.461 10.937 -14.241 1.00 1.21 H new ATOM 135 N MET A 11 -0.432 9.165 -12.615 1.00 4.32 N ATOM 136 CA MET A 11 -1.716 9.527 -13.204 1.00 14.54 C ATOM 137 C MET A 11 -2.476 10.491 -12.301 1.00 61.34 C ATOM 138 O MET A 11 -3.082 11.452 -12.774 1.00 63.42 O ATOM 139 CB MET A 11 -2.557 8.273 -13.454 1.00 55.23 C ATOM 140 CG MET A 11 -3.909 8.565 -14.085 1.00 74.01 C ATOM 141 SD MET A 11 -5.276 7.819 -13.175 1.00 71.31 S ATOM 142 CE MET A 11 -5.396 6.228 -13.990 1.00 43.44 C ATOM 0 H MET A 11 -0.406 8.234 -12.200 1.00 4.32 H new ATOM 0 HA MET A 11 -1.524 10.024 -14.155 1.00 14.54 H new ATOM 0 HB2 MET A 11 -2.001 7.596 -14.102 1.00 55.23 H new ATOM 0 HB3 MET A 11 -2.711 7.754 -12.508 1.00 55.23 H new ATOM 0 HG2 MET A 11 -4.057 9.644 -14.135 1.00 74.01 H new ATOM 0 HG3 MET A 11 -3.915 8.194 -15.110 1.00 74.01 H new ATOM 0 HE1 MET A 11 -6.200 5.647 -13.538 1.00 43.44 H new ATOM 0 HE2 MET A 11 -5.607 6.377 -15.049 1.00 43.44 H new ATOM 0 HE3 MET A 11 -4.454 5.691 -13.880 1.00 43.44 H new ATOM 152 N ALA A 12 -2.440 10.229 -10.999 1.00 42.31 N ATOM 153 CA ALA A 12 -3.125 11.076 -10.030 1.00 42.42 C ATOM 154 C ALA A 12 -2.583 12.501 -10.067 1.00 42.50 C ATOM 155 O ALA A 12 -3.346 13.467 -10.016 1.00 11.33 O ATOM 156 CB ALA A 12 -2.988 10.493 -8.630 1.00 75.54 C ATOM 0 H ALA A 12 -1.944 9.437 -10.591 1.00 42.31 H new ATOM 0 HA ALA A 12 -4.181 11.110 -10.296 1.00 42.42 H new ATOM 0 HB1 ALA A 12 -3.504 11.135 -7.916 1.00 75.54 H new ATOM 0 HB2 ALA A 12 -3.429 9.496 -8.606 1.00 75.54 H new ATOM 0 HB3 ALA A 12 -1.933 10.429 -8.364 1.00 75.54 H new ATOM 162 N ILE A 13 -1.264 12.626 -10.156 1.00 5.34 N ATOM 163 CA ILE A 13 -0.621 13.932 -10.200 1.00 64.24 C ATOM 164 C ILE A 13 -0.872 14.623 -11.536 1.00 64.22 C ATOM 165 O ILE A 13 -1.151 15.822 -11.585 1.00 12.25 O ATOM 166 CB ILE A 13 0.898 13.822 -9.969 1.00 11.30 C ATOM 167 CG1 ILE A 13 1.183 13.175 -8.611 1.00 75.32 C ATOM 168 CG2 ILE A 13 1.548 15.195 -10.054 1.00 10.22 C ATOM 169 CD1 ILE A 13 2.658 13.030 -8.311 1.00 21.02 C ATOM 0 H ILE A 13 -0.619 11.837 -10.199 1.00 5.34 H new ATOM 0 HA ILE A 13 -1.059 14.526 -9.398 1.00 64.24 H new ATOM 0 HB ILE A 13 1.325 13.191 -10.749 1.00 11.30 H new ATOM 0 HG12 ILE A 13 0.718 13.773 -7.827 1.00 75.32 H new ATOM 0 HG13 ILE A 13 0.715 12.191 -8.581 1.00 75.32 H new ATOM 0 HG21 ILE A 13 2.621 15.100 -9.889 1.00 10.22 H new ATOM 0 HG22 ILE A 13 1.369 15.622 -11.041 1.00 10.22 H new ATOM 0 HG23 ILE A 13 1.120 15.848 -9.293 1.00 10.22 H new ATOM 0 HD11 ILE A 13 2.787 12.565 -7.334 1.00 21.02 H new ATOM 0 HD12 ILE A 13 3.125 12.407 -9.074 1.00 21.02 H new ATOM 0 HD13 ILE A 13 3.127 14.014 -8.309 1.00 21.02 H new ATOM 181 N LYS A 14 -0.772 13.860 -12.618 1.00 55.31 N ATOM 182 CA LYS A 14 -0.991 14.396 -13.956 1.00 31.42 C ATOM 183 C LYS A 14 -2.419 14.908 -14.111 1.00 51.51 C ATOM 184 O LYS A 14 -2.688 15.791 -14.926 1.00 1.12 O ATOM 185 CB LYS A 14 -0.706 13.324 -15.010 1.00 35.14 C ATOM 186 CG LYS A 14 -0.760 13.844 -16.437 1.00 25.33 C ATOM 187 CD LYS A 14 -0.220 12.822 -17.423 1.00 11.41 C ATOM 188 CE LYS A 14 0.547 13.490 -18.554 1.00 5.04 C ATOM 189 NZ LYS A 14 -0.269 13.588 -19.796 1.00 43.11 N ATOM 0 H LYS A 14 -0.540 12.867 -12.595 1.00 55.31 H new ATOM 0 HA LYS A 14 -0.306 15.232 -14.101 1.00 31.42 H new ATOM 0 HB2 LYS A 14 0.280 12.897 -14.825 1.00 35.14 H new ATOM 0 HB3 LYS A 14 -1.429 12.516 -14.899 1.00 35.14 H new ATOM 0 HG2 LYS A 14 -1.789 14.093 -16.696 1.00 25.33 H new ATOM 0 HG3 LYS A 14 -0.181 14.765 -16.512 1.00 25.33 H new ATOM 0 HD2 LYS A 14 0.434 12.122 -16.902 1.00 11.41 H new ATOM 0 HD3 LYS A 14 -1.045 12.241 -17.835 1.00 11.41 H new ATOM 0 HE2 LYS A 14 0.856 14.488 -18.243 1.00 5.04 H new ATOM 0 HE3 LYS A 14 1.456 12.924 -18.760 1.00 5.04 H new ATOM 0 HZ1 LYS A 14 0.289 14.049 -20.543 1.00 43.11 H new ATOM 0 HZ2 LYS A 14 -0.543 12.634 -20.107 1.00 43.11 H new ATOM 0 HZ3 LYS A 14 -1.124 14.149 -19.606 1.00 43.11 H new ATOM 203 N ARG A 15 -3.332 14.349 -13.322 1.00 10.01 N ATOM 204 CA ARG A 15 -4.733 14.749 -13.371 1.00 73.45 C ATOM 205 C ARG A 15 -4.951 16.061 -12.621 1.00 34.42 C ATOM 206 O ARG A 15 -5.392 17.054 -13.201 1.00 14.45 O ATOM 207 CB ARG A 15 -5.620 13.655 -12.774 1.00 30.14 C ATOM 208 CG ARG A 15 -6.411 12.878 -13.813 1.00 31.11 C ATOM 209 CD ARG A 15 -7.362 13.782 -14.581 1.00 35.34 C ATOM 210 NE ARG A 15 -6.843 14.128 -15.901 1.00 15.14 N ATOM 211 CZ ARG A 15 -7.580 14.677 -16.861 1.00 1.43 C ATOM 212 NH1 ARG A 15 -8.860 14.943 -16.646 1.00 51.32 N ATOM 213 NH2 ARG A 15 -7.035 14.962 -18.037 1.00 43.35 N ATOM 0 H ARG A 15 -3.126 13.618 -12.641 1.00 10.01 H new ATOM 0 HA ARG A 15 -5.005 14.898 -14.416 1.00 73.45 H new ATOM 0 HB2 ARG A 15 -4.997 12.961 -12.210 1.00 30.14 H new ATOM 0 HB3 ARG A 15 -6.314 14.108 -12.065 1.00 30.14 H new ATOM 0 HG2 ARG A 15 -5.724 12.396 -14.509 1.00 31.11 H new ATOM 0 HG3 ARG A 15 -6.977 12.086 -13.323 1.00 31.11 H new ATOM 0 HD2 ARG A 15 -8.326 13.285 -14.690 1.00 35.34 H new ATOM 0 HD3 ARG A 15 -7.536 14.694 -14.010 1.00 35.34 H new ATOM 0 HE ARG A 15 -5.860 13.938 -16.097 1.00 15.14 H new ATOM 0 HH11 ARG A 15 -9.281 14.726 -15.743 1.00 51.32 H new ATOM 0 HH12 ARG A 15 -9.424 15.364 -17.384 1.00 51.32 H new ATOM 0 HH21 ARG A 15 -6.049 14.760 -18.205 1.00 43.35 H new ATOM 0 HH22 ARG A 15 -7.602 15.383 -18.773 1.00 43.35 H new ATOM 227 N CYS A 16 -4.637 16.057 -11.330 1.00 15.22 N ATOM 228 CA CYS A 16 -4.800 17.245 -10.501 1.00 20.23 C ATOM 229 C CYS A 16 -3.874 18.364 -10.967 1.00 5.35 C ATOM 230 O CYS A 16 -4.084 19.532 -10.643 1.00 63.44 O ATOM 231 CB CYS A 16 -4.519 16.911 -9.035 1.00 61.45 C ATOM 232 SG CYS A 16 -2.775 16.604 -8.669 1.00 44.04 S ATOM 0 H CYS A 16 -4.268 15.245 -10.835 1.00 15.22 H new ATOM 0 HA CYS A 16 -5.830 17.587 -10.597 1.00 20.23 H new ATOM 0 HB2 CYS A 16 -4.871 17.734 -8.412 1.00 61.45 H new ATOM 0 HB3 CYS A 16 -5.098 16.030 -8.757 1.00 61.45 H new ATOM 0 HG CYS A 16 -2.135 16.367 -9.775 1.00 44.04 H new ATOM 238 N SER A 17 -2.846 17.997 -11.726 1.00 3.41 N ATOM 239 CA SER A 17 -1.884 18.969 -12.232 1.00 21.01 C ATOM 240 C SER A 17 -2.585 20.060 -13.035 1.00 33.24 C ATOM 241 O SER A 17 -2.075 21.171 -13.171 1.00 2.42 O ATOM 242 CB SER A 17 -0.834 18.274 -13.101 1.00 12.13 C ATOM 243 OG SER A 17 0.329 17.968 -12.350 1.00 54.23 O ATOM 0 H SER A 17 -2.658 17.034 -12.004 1.00 3.41 H new ATOM 0 HA SER A 17 -1.389 19.432 -11.378 1.00 21.01 H new ATOM 0 HB2 SER A 17 -1.252 17.358 -13.519 1.00 12.13 H new ATOM 0 HB3 SER A 17 -0.570 18.916 -13.941 1.00 12.13 H new ATOM 0 HG SER A 17 0.170 17.163 -11.814 1.00 54.23 H new ATOM 249 N ASN A 18 -3.758 19.732 -13.567 1.00 62.33 N ATOM 250 CA ASN A 18 -4.530 20.684 -14.359 1.00 12.22 C ATOM 251 C ASN A 18 -5.575 21.387 -13.497 1.00 34.54 C ATOM 252 O ASN A 18 -6.615 21.819 -13.992 1.00 73.43 O ATOM 253 CB ASN A 18 -5.214 19.970 -15.527 1.00 14.32 C ATOM 254 CG ASN A 18 -5.118 20.755 -16.820 1.00 31.13 C ATOM 255 OD1 ASN A 18 -6.109 21.302 -17.303 1.00 32.24 O ATOM 256 ND2 ASN A 18 -3.918 20.814 -17.388 1.00 71.14 N ATOM 0 H ASN A 18 -4.195 18.816 -13.465 1.00 62.33 H new ATOM 0 HA ASN A 18 -3.843 21.434 -14.751 1.00 12.22 H new ATOM 0 HB2 ASN A 18 -4.759 18.989 -15.666 1.00 14.32 H new ATOM 0 HB3 ASN A 18 -6.263 19.803 -15.283 1.00 14.32 H new ATOM 0 HD21 ASN A 18 -3.791 21.328 -18.260 1.00 71.14 H new ATOM 0 HD22 ASN A 18 -3.124 20.345 -16.952 1.00 71.14 H new ATOM 263 N VAL A 19 -5.288 21.500 -12.204 1.00 21.42 N ATOM 264 CA VAL A 19 -6.200 22.153 -11.273 1.00 13.23 C ATOM 265 C VAL A 19 -5.653 23.502 -10.822 1.00 21.32 C ATOM 266 O VAL A 19 -4.525 23.596 -10.339 1.00 23.22 O ATOM 267 CB VAL A 19 -6.459 21.276 -10.033 1.00 22.20 C ATOM 268 CG1 VAL A 19 -7.441 21.958 -9.092 1.00 53.41 C ATOM 269 CG2 VAL A 19 -6.970 19.905 -10.448 1.00 10.14 C ATOM 0 H VAL A 19 -4.431 21.148 -11.778 1.00 21.42 H new ATOM 0 HA VAL A 19 -7.139 22.305 -11.805 1.00 13.23 H new ATOM 0 HB VAL A 19 -5.517 21.142 -9.501 1.00 22.20 H new ATOM 0 HG11 VAL A 19 -7.612 21.324 -8.222 1.00 53.41 H new ATOM 0 HG12 VAL A 19 -7.031 22.915 -8.769 1.00 53.41 H new ATOM 0 HG13 VAL A 19 -8.385 22.125 -9.610 1.00 53.41 H new ATOM 0 HG21 VAL A 19 -7.148 19.299 -9.560 1.00 10.14 H new ATOM 0 HG22 VAL A 19 -7.901 20.017 -11.003 1.00 10.14 H new ATOM 0 HG23 VAL A 19 -6.228 19.416 -11.079 1.00 10.14 H new ATOM 279 N ALA A 20 -6.460 24.546 -10.983 1.00 53.12 N ATOM 280 CA ALA A 20 -6.058 25.890 -10.590 1.00 44.02 C ATOM 281 C ALA A 20 -5.943 26.008 -9.074 1.00 54.24 C ATOM 282 O ALA A 20 -6.940 25.909 -8.357 1.00 65.32 O ATOM 283 CB ALA A 20 -7.045 26.915 -11.129 1.00 42.33 C ATOM 0 H ALA A 20 -7.396 24.486 -11.383 1.00 53.12 H new ATOM 0 HA ALA A 20 -5.076 26.088 -11.018 1.00 44.02 H new ATOM 0 HB1 ALA A 20 -6.732 27.915 -10.828 1.00 42.33 H new ATOM 0 HB2 ALA A 20 -7.073 26.856 -12.217 1.00 42.33 H new ATOM 0 HB3 ALA A 20 -8.038 26.709 -10.729 1.00 42.33 H new ATOM 289 N VAL A 21 -4.723 26.220 -8.591 1.00 34.12 N ATOM 290 CA VAL A 21 -4.479 26.352 -7.160 1.00 41.23 C ATOM 291 C VAL A 21 -4.314 27.814 -6.764 1.00 64.13 C ATOM 292 O VAL A 21 -4.560 28.190 -5.618 1.00 24.41 O ATOM 293 CB VAL A 21 -3.224 25.570 -6.730 1.00 51.25 C ATOM 294 CG1 VAL A 21 -3.379 24.092 -7.056 1.00 25.22 C ATOM 295 CG2 VAL A 21 -1.984 26.144 -7.398 1.00 64.33 C ATOM 0 H VAL A 21 -3.888 26.304 -9.170 1.00 34.12 H new ATOM 0 HA VAL A 21 -5.349 25.936 -6.651 1.00 41.23 H new ATOM 0 HB VAL A 21 -3.107 25.670 -5.651 1.00 51.25 H new ATOM 0 HG11 VAL A 21 -2.483 23.555 -6.745 1.00 25.22 H new ATOM 0 HG12 VAL A 21 -4.244 23.691 -6.527 1.00 25.22 H new ATOM 0 HG13 VAL A 21 -3.522 23.969 -8.130 1.00 25.22 H new ATOM 0 HG21 VAL A 21 -1.107 25.579 -7.083 1.00 64.33 H new ATOM 0 HG22 VAL A 21 -2.090 26.076 -8.481 1.00 64.33 H new ATOM 0 HG23 VAL A 21 -1.866 27.189 -7.110 1.00 64.33 H new ATOM 375 N LYS A 28 -1.289 29.363 -11.883 1.00 51.32 N ATOM 376 CA LYS A 28 -0.527 28.158 -11.579 1.00 13.32 C ATOM 377 C LYS A 28 -1.448 27.034 -11.113 1.00 72.31 C ATOM 378 O LYS A 28 -2.476 27.281 -10.482 1.00 72.33 O ATOM 379 CB LYS A 28 0.523 28.450 -10.505 1.00 13.02 C ATOM 380 CG LYS A 28 1.899 27.896 -10.831 1.00 74.12 C ATOM 381 CD LYS A 28 2.863 28.075 -9.670 1.00 73.15 C ATOM 382 CE LYS A 28 4.109 27.221 -9.844 1.00 71.52 C ATOM 383 NZ LYS A 28 5.063 27.824 -10.816 1.00 75.01 N ATOM 0 HA LYS A 28 -0.024 27.837 -12.491 1.00 13.32 H new ATOM 0 HB2 LYS A 28 0.599 29.529 -10.367 1.00 13.02 H new ATOM 0 HB3 LYS A 28 0.187 28.030 -9.557 1.00 13.02 H new ATOM 0 HG2 LYS A 28 1.817 26.837 -11.077 1.00 74.12 H new ATOM 0 HG3 LYS A 28 2.294 28.398 -11.714 1.00 74.12 H new ATOM 0 HD2 LYS A 28 3.148 29.124 -9.591 1.00 73.15 H new ATOM 0 HD3 LYS A 28 2.365 27.808 -8.738 1.00 73.15 H new ATOM 0 HE2 LYS A 28 4.602 27.097 -8.880 1.00 71.52 H new ATOM 0 HE3 LYS A 28 3.823 26.226 -10.185 1.00 71.52 H new ATOM 0 HZ1 LYS A 28 5.899 27.212 -10.907 1.00 75.01 H new ATOM 0 HZ2 LYS A 28 4.601 27.919 -11.743 1.00 75.01 H new ATOM 0 HZ3 LYS A 28 5.356 28.763 -10.478 1.00 75.01 H new ATOM 397 N LYS A 29 -1.071 25.799 -11.425 1.00 54.30 N ATOM 398 CA LYS A 29 -1.861 24.637 -11.036 1.00 12.23 C ATOM 399 C LYS A 29 -1.032 23.673 -10.193 1.00 34.03 C ATOM 400 O LYS A 29 0.177 23.847 -10.041 1.00 63.15 O ATOM 401 CB LYS A 29 -2.393 23.917 -12.278 1.00 3.25 C ATOM 402 CG LYS A 29 -3.387 24.740 -13.078 1.00 75.10 C ATOM 403 CD LYS A 29 -3.333 24.394 -14.557 1.00 0.20 C ATOM 404 CE LYS A 29 -3.637 25.605 -15.424 1.00 72.54 C ATOM 405 NZ LYS A 29 -4.711 25.323 -16.417 1.00 41.21 N ATOM 0 H LYS A 29 -0.223 25.577 -11.946 1.00 54.30 H new ATOM 0 HA LYS A 29 -2.702 24.985 -10.437 1.00 12.23 H new ATOM 0 HB2 LYS A 29 -1.554 23.651 -12.921 1.00 3.25 H new ATOM 0 HB3 LYS A 29 -2.868 22.985 -11.972 1.00 3.25 H new ATOM 0 HG2 LYS A 29 -4.394 24.566 -12.699 1.00 75.10 H new ATOM 0 HG3 LYS A 29 -3.175 25.801 -12.943 1.00 75.10 H new ATOM 0 HD2 LYS A 29 -2.345 24.006 -14.805 1.00 0.20 H new ATOM 0 HD3 LYS A 29 -4.050 23.602 -14.773 1.00 0.20 H new ATOM 0 HE2 LYS A 29 -3.939 26.439 -14.790 1.00 72.54 H new ATOM 0 HE3 LYS A 29 -2.732 25.914 -15.947 1.00 72.54 H new ATOM 0 HZ1 LYS A 29 -4.888 26.174 -16.988 1.00 41.21 H new ATOM 0 HZ2 LYS A 29 -4.413 24.545 -17.039 1.00 41.21 H new ATOM 0 HZ3 LYS A 29 -5.583 25.053 -15.918 1.00 41.21 H new ATOM 419 N PHE A 30 -1.690 22.654 -9.648 1.00 31.43 N ATOM 420 CA PHE A 30 -1.012 21.663 -8.821 1.00 53.42 C ATOM 421 C PHE A 30 0.165 21.043 -9.568 1.00 64.43 C ATOM 422 O PHE A 30 0.195 21.028 -10.798 1.00 30.13 O ATOM 423 CB PHE A 30 -1.992 20.568 -8.396 1.00 41.52 C ATOM 424 CG PHE A 30 -2.439 20.685 -6.966 1.00 34.10 C ATOM 425 CD1 PHE A 30 -1.511 20.745 -5.939 1.00 75.24 C ATOM 426 CD2 PHE A 30 -3.787 20.735 -6.649 1.00 15.24 C ATOM 427 CE1 PHE A 30 -1.918 20.853 -4.623 1.00 64.22 C ATOM 428 CE2 PHE A 30 -4.200 20.844 -5.335 1.00 32.22 C ATOM 429 CZ PHE A 30 -3.264 20.902 -4.321 1.00 42.24 C ATOM 0 H PHE A 30 -2.691 22.494 -9.764 1.00 31.43 H new ATOM 0 HA PHE A 30 -0.631 22.167 -7.933 1.00 53.42 H new ATOM 0 HB2 PHE A 30 -2.867 20.602 -9.046 1.00 41.52 H new ATOM 0 HB3 PHE A 30 -1.523 19.595 -8.543 1.00 41.52 H new ATOM 0 HD1 PHE A 30 -0.457 20.707 -6.170 1.00 75.24 H new ATOM 0 HD2 PHE A 30 -4.523 20.688 -7.438 1.00 15.24 H new ATOM 0 HE1 PHE A 30 -1.184 20.899 -3.832 1.00 64.22 H new ATOM 0 HE2 PHE A 30 -5.254 20.884 -5.101 1.00 32.22 H new ATOM 0 HZ PHE A 30 -3.585 20.986 -3.293 1.00 42.24 H new ATOM 439 N GLY A 31 1.136 20.535 -8.814 1.00 53.03 N ATOM 440 CA GLY A 31 2.302 19.923 -9.421 1.00 34.52 C ATOM 441 C GLY A 31 2.885 18.813 -8.569 1.00 2.43 C ATOM 442 O GLY A 31 2.515 18.657 -7.405 1.00 31.24 O ATOM 0 H GLY A 31 1.135 20.537 -7.794 1.00 53.03 H new ATOM 0 HA2 GLY A 31 2.031 19.523 -10.398 1.00 34.52 H new ATOM 0 HA3 GLY A 31 3.063 20.685 -9.589 1.00 34.52 H new ATOM 446 N GLU A 32 3.798 18.040 -9.148 1.00 52.41 N ATOM 447 CA GLU A 32 4.430 16.938 -8.432 1.00 14.11 C ATOM 448 C GLU A 32 5.121 17.436 -7.167 1.00 22.23 C ATOM 449 O GLU A 32 4.986 16.841 -6.098 1.00 24.13 O ATOM 450 CB GLU A 32 5.444 16.229 -9.334 1.00 55.33 C ATOM 451 CG GLU A 32 6.471 17.165 -9.948 1.00 52.31 C ATOM 452 CD GLU A 32 7.341 16.479 -10.984 1.00 10.53 C ATOM 453 OE1 GLU A 32 8.578 16.622 -10.906 1.00 25.43 O ATOM 454 OE2 GLU A 32 6.783 15.799 -11.870 1.00 31.21 O ATOM 0 H GLU A 32 4.116 18.156 -10.110 1.00 52.41 H new ATOM 0 HA GLU A 32 3.651 16.231 -8.146 1.00 14.11 H new ATOM 0 HB2 GLU A 32 5.962 15.465 -8.754 1.00 55.33 H new ATOM 0 HB3 GLU A 32 4.910 15.715 -10.133 1.00 55.33 H new ATOM 0 HG2 GLU A 32 5.958 18.008 -10.411 1.00 52.31 H new ATOM 0 HG3 GLU A 32 7.104 17.571 -9.159 1.00 52.31 H new ATOM 461 N GLY A 33 5.862 18.532 -7.296 1.00 71.12 N ATOM 462 CA GLY A 33 6.564 19.092 -6.156 1.00 24.13 C ATOM 463 C GLY A 33 5.620 19.586 -5.079 1.00 52.23 C ATOM 464 O GLY A 33 5.861 19.382 -3.890 1.00 33.23 O ATOM 0 H GLY A 33 5.989 19.042 -8.170 1.00 71.12 H new ATOM 0 HA2 GLY A 33 7.227 18.336 -5.735 1.00 24.13 H new ATOM 0 HA3 GLY A 33 7.193 19.917 -6.490 1.00 24.13 H new ATOM 468 N ASN A 34 4.539 20.239 -5.495 1.00 54.22 N ATOM 469 CA ASN A 34 3.555 20.765 -4.556 1.00 52.11 C ATOM 470 C ASN A 34 2.818 19.632 -3.848 1.00 71.54 C ATOM 471 O ASN A 34 2.664 19.646 -2.628 1.00 42.55 O ATOM 472 CB ASN A 34 2.553 21.664 -5.285 1.00 34.43 C ATOM 473 CG ASN A 34 3.234 22.673 -6.191 1.00 14.24 C ATOM 474 OD1 ASN A 34 3.643 22.346 -7.305 1.00 52.23 O ATOM 475 ND2 ASN A 34 3.359 23.905 -5.714 1.00 53.30 N ATOM 0 H ASN A 34 4.323 20.416 -6.476 1.00 54.22 H new ATOM 0 HA ASN A 34 4.084 21.354 -3.807 1.00 52.11 H new ATOM 0 HB2 ASN A 34 1.878 21.046 -5.877 1.00 34.43 H new ATOM 0 HB3 ASN A 34 1.942 22.192 -4.552 1.00 34.43 H new ATOM 0 HD21 ASN A 34 3.809 24.627 -6.277 1.00 53.30 H new ATOM 0 HD22 ASN A 34 3.005 24.130 -4.784 1.00 53.30 H new ATOM 482 N PHE A 35 2.365 18.653 -4.624 1.00 71.15 N ATOM 483 CA PHE A 35 1.643 17.513 -4.072 1.00 31.24 C ATOM 484 C PHE A 35 2.453 16.840 -2.968 1.00 15.32 C ATOM 485 O PHE A 35 1.920 16.502 -1.910 1.00 73.54 O ATOM 486 CB PHE A 35 1.325 16.501 -5.176 1.00 23.40 C ATOM 487 CG PHE A 35 0.843 15.178 -4.654 1.00 35.33 C ATOM 488 CD1 PHE A 35 1.338 13.992 -5.174 1.00 1.02 C ATOM 489 CD2 PHE A 35 -0.105 15.119 -3.645 1.00 74.24 C ATOM 490 CE1 PHE A 35 0.897 12.772 -4.696 1.00 3.20 C ATOM 491 CE2 PHE A 35 -0.550 13.903 -3.164 1.00 35.04 C ATOM 492 CZ PHE A 35 -0.050 12.727 -3.691 1.00 25.12 C ATOM 0 H PHE A 35 2.485 18.626 -5.637 1.00 71.15 H new ATOM 0 HA PHE A 35 0.710 17.878 -3.643 1.00 31.24 H new ATOM 0 HB2 PHE A 35 0.566 16.921 -5.835 1.00 23.40 H new ATOM 0 HB3 PHE A 35 2.218 16.341 -5.780 1.00 23.40 H new ATOM 0 HD1 PHE A 35 2.077 14.021 -5.961 1.00 1.02 H new ATOM 0 HD2 PHE A 35 -0.500 16.034 -3.230 1.00 74.24 H new ATOM 0 HE1 PHE A 35 1.292 11.855 -5.108 1.00 3.20 H new ATOM 0 HE2 PHE A 35 -1.288 13.871 -2.376 1.00 35.04 H new ATOM 0 HZ PHE A 35 -0.399 11.775 -3.318 1.00 25.12 H new ATOM 502 N ARG A 36 3.743 16.648 -3.221 1.00 13.43 N ATOM 503 CA ARG A 36 4.626 16.013 -2.250 1.00 61.42 C ATOM 504 C ARG A 36 4.697 16.832 -0.965 1.00 24.24 C ATOM 505 O ARG A 36 4.460 16.314 0.126 1.00 25.02 O ATOM 506 CB ARG A 36 6.028 15.845 -2.839 1.00 22.24 C ATOM 507 CG ARG A 36 6.065 14.973 -4.083 1.00 23.12 C ATOM 508 CD ARG A 36 7.218 15.356 -4.997 1.00 34.41 C ATOM 509 NE ARG A 36 7.267 14.524 -6.196 1.00 5.34 N ATOM 510 CZ ARG A 36 7.758 13.289 -6.213 1.00 15.20 C ATOM 511 NH1 ARG A 36 8.239 12.747 -5.104 1.00 24.10 N ATOM 512 NH2 ARG A 36 7.767 12.594 -7.344 1.00 31.34 N ATOM 0 H ARG A 36 4.200 16.923 -4.090 1.00 13.43 H new ATOM 0 HA ARG A 36 4.219 15.030 -2.012 1.00 61.42 H new ATOM 0 HB2 ARG A 36 6.431 16.828 -3.083 1.00 22.24 H new ATOM 0 HB3 ARG A 36 6.681 15.411 -2.082 1.00 22.24 H new ATOM 0 HG2 ARG A 36 6.161 13.927 -3.793 1.00 23.12 H new ATOM 0 HG3 ARG A 36 5.123 15.068 -4.624 1.00 23.12 H new ATOM 0 HD2 ARG A 36 7.119 16.402 -5.286 1.00 34.41 H new ATOM 0 HD3 ARG A 36 8.158 15.263 -4.453 1.00 34.41 H new ATOM 0 HE ARG A 36 6.905 14.911 -7.067 1.00 5.34 H new ATOM 0 HH11 ARG A 36 8.233 13.278 -4.233 1.00 24.10 H new ATOM 0 HH12 ARG A 36 8.615 11.799 -5.121 1.00 24.10 H new ATOM 0 HH21 ARG A 36 7.397 13.008 -8.200 1.00 31.34 H new ATOM 0 HH22 ARG A 36 8.144 11.646 -7.357 1.00 31.34 H new ATOM 526 N TRP A 37 5.027 18.112 -1.102 1.00 72.13 N ATOM 527 CA TRP A 37 5.129 19.002 0.049 1.00 31.40 C ATOM 528 C TRP A 37 3.857 18.958 0.887 1.00 14.44 C ATOM 529 O TRP A 37 3.899 19.132 2.105 1.00 15.40 O ATOM 530 CB TRP A 37 5.402 20.435 -0.412 1.00 4.21 C ATOM 531 CG TRP A 37 5.234 21.451 0.677 1.00 54.43 C ATOM 532 CD1 TRP A 37 6.221 22.003 1.443 1.00 15.20 C ATOM 533 CD2 TRP A 37 4.004 22.033 1.123 1.00 61.53 C ATOM 534 NE1 TRP A 37 5.679 22.895 2.337 1.00 32.14 N ATOM 535 CE2 TRP A 37 4.321 22.932 2.161 1.00 43.10 C ATOM 536 CE3 TRP A 37 2.667 21.886 0.745 1.00 23.20 C ATOM 537 CZ2 TRP A 37 3.349 23.677 2.823 1.00 0.50 C ATOM 538 CZ3 TRP A 37 1.704 22.626 1.404 1.00 13.11 C ATOM 539 CH2 TRP A 37 2.048 23.512 2.433 1.00 1.52 C ATOM 0 H TRP A 37 5.228 18.556 -1.998 1.00 72.13 H new ATOM 0 HA TRP A 37 5.960 18.662 0.667 1.00 31.40 H new ATOM 0 HB2 TRP A 37 6.418 20.496 -0.803 1.00 4.21 H new ATOM 0 HB3 TRP A 37 4.729 20.679 -1.234 1.00 4.21 H new ATOM 0 HD1 TRP A 37 7.273 21.772 1.359 1.00 15.20 H new ATOM 0 HE1 TRP A 37 6.203 23.441 3.021 1.00 32.14 H new ATOM 0 HE3 TRP A 37 2.391 21.206 -0.048 1.00 23.20 H new ATOM 0 HZ2 TRP A 37 3.613 24.361 3.616 1.00 0.50 H new ATOM 0 HZ3 TRP A 37 0.667 22.519 1.121 1.00 13.11 H new ATOM 0 HH2 TRP A 37 1.271 24.076 2.928 1.00 1.52 H new ATOM 550 N ALA A 38 2.727 18.723 0.229 1.00 34.21 N ATOM 551 CA ALA A 38 1.443 18.653 0.914 1.00 42.12 C ATOM 552 C ALA A 38 1.232 17.281 1.547 1.00 70.32 C ATOM 553 O ALA A 38 1.154 17.157 2.769 1.00 13.34 O ATOM 554 CB ALA A 38 0.311 18.972 -0.050 1.00 31.43 C ATOM 0 H ALA A 38 2.675 18.578 -0.779 1.00 34.21 H new ATOM 0 HA ALA A 38 1.445 19.396 1.712 1.00 42.12 H new ATOM 0 HB1 ALA A 38 -0.642 18.916 0.476 1.00 31.43 H new ATOM 0 HB2 ALA A 38 0.446 19.977 -0.450 1.00 31.43 H new ATOM 0 HB3 ALA A 38 0.316 18.252 -0.869 1.00 31.43 H new ATOM 560 N ILE A 39 1.139 16.256 0.706 1.00 3.12 N ATOM 561 CA ILE A 39 0.936 14.894 1.183 1.00 23.53 C ATOM 562 C ILE A 39 1.945 14.537 2.270 1.00 2.22 C ATOM 563 O ILE A 39 1.628 13.809 3.211 1.00 53.32 O ATOM 564 CB ILE A 39 1.053 13.872 0.036 1.00 23.21 C ATOM 565 CG1 ILE A 39 0.659 12.477 0.525 1.00 24.25 C ATOM 566 CG2 ILE A 39 2.467 13.864 -0.524 1.00 61.21 C ATOM 567 CD1 ILE A 39 0.157 11.571 -0.577 1.00 1.53 C ATOM 0 H ILE A 39 1.201 16.343 -0.308 1.00 3.12 H new ATOM 0 HA ILE A 39 -0.072 14.851 1.596 1.00 23.53 H new ATOM 0 HB ILE A 39 0.370 14.163 -0.762 1.00 23.21 H new ATOM 0 HG12 ILE A 39 1.521 12.011 1.003 1.00 24.25 H new ATOM 0 HG13 ILE A 39 -0.115 12.573 1.287 1.00 24.25 H new ATOM 0 HG21 ILE A 39 2.534 13.137 -1.333 1.00 61.21 H new ATOM 0 HG22 ILE A 39 2.713 14.855 -0.905 1.00 61.21 H new ATOM 0 HG23 ILE A 39 3.169 13.594 0.265 1.00 61.21 H new ATOM 0 HD11 ILE A 39 -0.104 10.599 -0.158 1.00 1.53 H new ATOM 0 HD12 ILE A 39 -0.724 12.015 -1.040 1.00 1.53 H new ATOM 0 HD13 ILE A 39 0.937 11.445 -1.328 1.00 1.53 H new ATOM 579 N ARG A 40 3.161 15.057 2.137 1.00 34.53 N ATOM 580 CA ARG A 40 4.216 14.794 3.107 1.00 11.54 C ATOM 581 C ARG A 40 3.975 15.574 4.396 1.00 3.04 C ATOM 582 O ARG A 40 3.949 15.000 5.484 1.00 3.33 O ATOM 583 CB ARG A 40 5.580 15.164 2.523 1.00 11.05 C ATOM 584 CG ARG A 40 6.743 14.871 3.457 1.00 2.21 C ATOM 585 CD ARG A 40 8.066 14.841 2.708 1.00 43.42 C ATOM 586 NE ARG A 40 8.402 13.498 2.244 1.00 63.45 N ATOM 587 CZ ARG A 40 9.462 13.225 1.490 1.00 73.45 C ATOM 588 NH1 ARG A 40 10.283 14.197 1.117 1.00 61.43 N ATOM 589 NH2 ARG A 40 9.701 11.978 1.107 1.00 2.33 N ATOM 0 H ARG A 40 3.440 15.664 1.366 1.00 34.53 H new ATOM 0 HA ARG A 40 4.205 13.729 3.338 1.00 11.54 H new ATOM 0 HB2 ARG A 40 5.727 14.618 1.591 1.00 11.05 H new ATOM 0 HB3 ARG A 40 5.583 16.225 2.274 1.00 11.05 H new ATOM 0 HG2 ARG A 40 6.783 15.630 4.238 1.00 2.21 H new ATOM 0 HG3 ARG A 40 6.582 13.913 3.951 1.00 2.21 H new ATOM 0 HD2 ARG A 40 8.015 15.517 1.855 1.00 43.42 H new ATOM 0 HD3 ARG A 40 8.859 15.209 3.359 1.00 43.42 H new ATOM 0 HE ARG A 40 7.790 12.728 2.513 1.00 63.45 H new ATOM 0 HH11 ARG A 40 10.102 15.157 1.409 1.00 61.43 H new ATOM 0 HH12 ARG A 40 11.096 13.984 0.538 1.00 61.43 H new ATOM 0 HH21 ARG A 40 9.071 11.228 1.391 1.00 2.33 H new ATOM 0 HH22 ARG A 40 10.515 11.769 0.528 1.00 2.33 H new ATOM 603 N MET A 41 3.800 16.885 4.265 1.00 15.22 N ATOM 604 CA MET A 41 3.560 17.742 5.419 1.00 43.20 C ATOM 605 C MET A 41 2.372 17.239 6.233 1.00 73.35 C ATOM 606 O MET A 41 2.364 17.334 7.460 1.00 52.45 O ATOM 607 CB MET A 41 3.312 19.183 4.969 1.00 73.11 C ATOM 608 CG MET A 41 3.085 20.149 6.119 1.00 64.24 C ATOM 609 SD MET A 41 3.960 21.710 5.898 1.00 21.32 S ATOM 610 CE MET A 41 3.329 22.652 7.285 1.00 71.31 C ATOM 0 H MET A 41 3.820 17.376 3.371 1.00 15.22 H new ATOM 0 HA MET A 41 4.448 17.714 6.051 1.00 43.20 H new ATOM 0 HB2 MET A 41 4.165 19.524 4.383 1.00 73.11 H new ATOM 0 HB3 MET A 41 2.444 19.205 4.310 1.00 73.11 H new ATOM 0 HG2 MET A 41 2.018 20.346 6.217 1.00 64.24 H new ATOM 0 HG3 MET A 41 3.410 19.683 7.049 1.00 64.24 H new ATOM 0 HE1 MET A 41 3.778 23.645 7.285 1.00 71.31 H new ATOM 0 HE2 MET A 41 2.246 22.744 7.200 1.00 71.31 H new ATOM 0 HE3 MET A 41 3.578 22.141 8.215 1.00 71.31 H new ATOM 620 N ALA A 42 1.369 16.707 5.541 1.00 23.33 N ATOM 621 CA ALA A 42 0.177 16.188 6.200 1.00 23.44 C ATOM 622 C ALA A 42 0.468 14.866 6.900 1.00 3.40 C ATOM 623 O ALA A 42 -0.018 14.616 8.002 1.00 4.25 O ATOM 624 CB ALA A 42 -0.950 16.018 5.193 1.00 55.02 C ATOM 0 H ALA A 42 1.359 16.624 4.524 1.00 23.33 H new ATOM 0 HA ALA A 42 -0.133 16.908 6.957 1.00 23.44 H new ATOM 0 HB1 ALA A 42 -1.834 15.630 5.699 1.00 55.02 H new ATOM 0 HB2 ALA A 42 -1.184 16.983 4.742 1.00 55.02 H new ATOM 0 HB3 ALA A 42 -0.641 15.320 4.415 1.00 55.02 H new ATOM 630 N ASN A 43 1.264 14.020 6.252 1.00 65.04 N ATOM 631 CA ASN A 43 1.618 12.722 6.813 1.00 22.35 C ATOM 632 C ASN A 43 2.381 12.885 8.124 1.00 64.03 C ATOM 633 O ASN A 43 1.993 12.334 9.153 1.00 5.44 O ATOM 634 CB ASN A 43 2.461 11.925 5.816 1.00 14.21 C ATOM 635 CG ASN A 43 1.969 10.500 5.651 1.00 52.23 C ATOM 636 OD1 ASN A 43 0.785 10.216 5.831 1.00 51.24 O ATOM 637 ND2 ASN A 43 2.878 9.596 5.306 1.00 62.22 N ATOM 0 H ASN A 43 1.675 14.211 5.338 1.00 65.04 H new ATOM 0 HA ASN A 43 0.695 12.178 7.015 1.00 22.35 H new ATOM 0 HB2 ASN A 43 2.445 12.426 4.848 1.00 14.21 H new ATOM 0 HB3 ASN A 43 3.498 11.912 6.151 1.00 14.21 H new ATOM 0 HD21 ASN A 43 2.606 8.621 5.180 1.00 62.22 H new ATOM 0 HD22 ASN A 43 3.849 9.876 5.167 1.00 62.22 H new ATOM 644 N VAL A 44 3.468 13.649 8.079 1.00 33.03 N ATOM 645 CA VAL A 44 4.286 13.887 9.262 1.00 3.31 C ATOM 646 C VAL A 44 3.496 14.632 10.334 1.00 31.32 C ATOM 647 O VAL A 44 3.653 14.373 11.527 1.00 14.42 O ATOM 648 CB VAL A 44 5.551 14.695 8.918 1.00 14.23 C ATOM 649 CG1 VAL A 44 6.467 13.890 8.008 1.00 70.03 C ATOM 650 CG2 VAL A 44 5.177 16.021 8.274 1.00 73.33 C ATOM 0 H VAL A 44 3.803 14.114 7.235 1.00 33.03 H new ATOM 0 HA VAL A 44 4.582 12.910 9.644 1.00 3.31 H new ATOM 0 HB VAL A 44 6.090 14.906 9.842 1.00 14.23 H new ATOM 0 HG11 VAL A 44 7.356 14.477 7.775 1.00 70.03 H new ATOM 0 HG12 VAL A 44 6.762 12.969 8.511 1.00 70.03 H new ATOM 0 HG13 VAL A 44 5.941 13.647 7.085 1.00 70.03 H new ATOM 0 HG21 VAL A 44 6.083 16.579 8.038 1.00 73.33 H new ATOM 0 HG22 VAL A 44 4.616 15.835 7.358 1.00 73.33 H new ATOM 0 HG23 VAL A 44 4.564 16.600 8.964 1.00 73.33 H new ATOM 660 N SER A 45 2.648 15.558 9.899 1.00 22.22 N ATOM 661 CA SER A 45 1.837 16.344 10.822 1.00 13.53 C ATOM 662 C SER A 45 0.865 15.450 11.586 1.00 72.25 C ATOM 663 O SER A 45 0.384 15.811 12.661 1.00 45.20 O ATOM 664 CB SER A 45 1.065 17.424 10.062 1.00 72.13 C ATOM 665 OG SER A 45 1.885 18.550 9.802 1.00 72.33 O ATOM 0 H SER A 45 2.504 15.782 8.914 1.00 22.22 H new ATOM 0 HA SER A 45 2.505 16.822 11.539 1.00 13.53 H new ATOM 0 HB2 SER A 45 0.693 17.016 9.122 1.00 72.13 H new ATOM 0 HB3 SER A 45 0.195 17.730 10.643 1.00 72.13 H new ATOM 0 HG SER A 45 2.281 18.467 8.909 1.00 72.33 H new ATOM 671 N THR A 46 0.578 14.281 11.023 1.00 14.12 N ATOM 672 CA THR A 46 -0.336 13.335 11.649 1.00 55.44 C ATOM 673 C THR A 46 0.422 12.194 12.315 1.00 14.14 C ATOM 674 O THR A 46 -0.155 11.400 13.058 1.00 62.31 O ATOM 675 CB THR A 46 -1.326 12.748 10.624 1.00 74.24 C ATOM 676 OG1 THR A 46 -0.633 12.388 9.424 1.00 54.22 O ATOM 677 CG2 THR A 46 -2.426 13.749 10.300 1.00 64.11 C ATOM 0 H THR A 46 0.966 13.967 10.134 1.00 14.12 H new ATOM 0 HA THR A 46 -0.892 13.888 12.406 1.00 55.44 H new ATOM 0 HB THR A 46 -1.782 11.859 11.060 1.00 74.24 H new ATOM 0 HG1 THR A 46 0.302 12.182 9.635 1.00 54.22 H new ATOM 0 HG21 THR A 46 -3.113 13.313 9.575 1.00 64.11 H new ATOM 0 HG22 THR A 46 -2.970 13.999 11.211 1.00 64.11 H new ATOM 0 HG23 THR A 46 -1.983 14.653 9.882 1.00 64.11 H new ATOM 685 N GLY A 47 1.722 12.116 12.043 1.00 11.44 N ATOM 686 CA GLY A 47 2.540 11.068 12.626 1.00 14.33 C ATOM 687 C GLY A 47 2.172 9.691 12.108 1.00 23.24 C ATOM 688 O GLY A 47 2.108 8.729 12.874 1.00 1.22 O ATOM 0 H GLY A 47 2.223 12.759 11.430 1.00 11.44 H new ATOM 0 HA2 GLY A 47 3.589 11.267 12.408 1.00 14.33 H new ATOM 0 HA3 GLY A 47 2.431 11.086 13.710 1.00 14.33 H new ATOM 692 N ARG A 48 1.929 9.595 10.805 1.00 40.20 N ATOM 693 CA ARG A 48 1.563 8.327 10.186 1.00 1.43 C ATOM 694 C ARG A 48 2.798 7.605 9.655 1.00 5.11 C ATOM 695 O ARG A 48 2.783 7.061 8.551 1.00 22.32 O ATOM 696 CB ARG A 48 0.566 8.558 9.050 1.00 70.14 C ATOM 697 CG ARG A 48 -0.861 8.773 9.527 1.00 71.34 C ATOM 698 CD ARG A 48 -1.866 8.489 8.421 1.00 3.41 C ATOM 699 NE ARG A 48 -2.990 7.686 8.896 1.00 1.34 N ATOM 700 CZ ARG A 48 -4.011 8.185 9.584 1.00 14.34 C ATOM 701 NH1 ARG A 48 -4.050 9.477 9.875 1.00 51.11 N ATOM 702 NH2 ARG A 48 -4.996 7.389 9.982 1.00 62.32 N ATOM 0 H ARG A 48 1.979 10.381 10.157 1.00 40.20 H new ATOM 0 HA ARG A 48 1.097 7.701 10.947 1.00 1.43 H new ATOM 0 HB2 ARG A 48 0.882 9.426 8.472 1.00 70.14 H new ATOM 0 HB3 ARG A 48 0.590 7.701 8.377 1.00 70.14 H new ATOM 0 HG2 ARG A 48 -1.063 8.124 10.379 1.00 71.34 H new ATOM 0 HG3 ARG A 48 -0.979 9.800 9.873 1.00 71.34 H new ATOM 0 HD2 ARG A 48 -2.238 9.431 8.019 1.00 3.41 H new ATOM 0 HD3 ARG A 48 -1.368 7.968 7.604 1.00 3.41 H new ATOM 0 HE ARG A 48 -2.991 6.687 8.688 1.00 1.34 H new ATOM 0 HH11 ARG A 48 -3.295 10.091 9.571 1.00 51.11 H new ATOM 0 HH12 ARG A 48 -4.835 9.857 10.403 1.00 51.11 H new ATOM 0 HH21 ARG A 48 -4.969 6.394 9.760 1.00 62.32 H new ATOM 0 HH22 ARG A 48 -5.780 7.772 10.510 1.00 62.32 H new ATOM 716 N GLU A 49 3.865 7.605 10.449 1.00 53.12 N ATOM 717 CA GLU A 49 5.107 6.952 10.056 1.00 24.34 C ATOM 718 C GLU A 49 5.715 7.628 8.830 1.00 2.43 C ATOM 719 O GLU A 49 5.018 8.226 8.011 1.00 41.42 O ATOM 720 CB GLU A 49 4.861 5.470 9.765 1.00 41.31 C ATOM 721 CG GLU A 49 3.987 4.783 10.802 1.00 71.33 C ATOM 722 CD GLU A 49 4.274 3.299 10.916 1.00 21.11 C ATOM 723 OE1 GLU A 49 4.678 2.856 12.012 1.00 62.25 O ATOM 724 OE2 GLU A 49 4.097 2.580 9.911 1.00 72.13 O ATOM 0 H GLU A 49 3.893 8.049 11.367 1.00 53.12 H new ATOM 0 HA GLU A 49 5.810 7.041 10.884 1.00 24.34 H new ATOM 0 HB2 GLU A 49 4.392 5.374 8.786 1.00 41.31 H new ATOM 0 HB3 GLU A 49 5.820 4.955 9.712 1.00 41.31 H new ATOM 0 HG2 GLU A 49 4.142 5.255 11.772 1.00 71.33 H new ATOM 0 HG3 GLU A 49 2.939 4.927 10.541 1.00 71.33 H new ATOM 731 N PRO A 50 7.046 7.530 8.700 1.00 65.23 N ATOM 732 CA PRO A 50 7.778 8.127 7.578 1.00 55.25 C ATOM 733 C PRO A 50 7.499 7.413 6.259 1.00 10.55 C ATOM 734 O PRO A 50 7.189 8.046 5.252 1.00 31.54 O ATOM 735 CB PRO A 50 9.245 7.955 7.979 1.00 14.13 C ATOM 736 CG PRO A 50 9.251 6.785 8.902 1.00 72.32 C ATOM 737 CD PRO A 50 7.941 6.833 9.639 1.00 13.11 C ATOM 0 HA PRO A 50 7.488 9.164 7.407 1.00 55.25 H new ATOM 0 HB2 PRO A 50 9.875 7.775 7.108 1.00 14.13 H new ATOM 0 HB3 PRO A 50 9.628 8.849 8.471 1.00 14.13 H new ATOM 0 HG2 PRO A 50 9.353 5.852 8.348 1.00 72.32 H new ATOM 0 HG3 PRO A 50 10.091 6.839 9.595 1.00 72.32 H new ATOM 0 HD2 PRO A 50 7.576 5.833 9.875 1.00 13.11 H new ATOM 0 HD3 PRO A 50 8.031 7.371 10.583 1.00 13.11 H new ATOM 745 N GLY A 51 7.609 6.087 6.275 1.00 23.35 N ATOM 746 CA GLY A 51 7.366 5.309 5.075 1.00 31.31 C ATOM 747 C GLY A 51 5.907 4.928 4.917 1.00 64.24 C ATOM 748 O GLY A 51 5.557 3.749 4.967 1.00 53.20 O ATOM 0 H GLY A 51 7.862 5.539 7.097 1.00 23.35 H new ATOM 0 HA2 GLY A 51 7.685 5.881 4.204 1.00 31.31 H new ATOM 0 HA3 GLY A 51 7.974 4.405 5.103 1.00 31.31 H new ATOM 752 N ASP A 52 5.054 5.929 4.726 1.00 4.31 N ATOM 753 CA ASP A 52 3.625 5.693 4.562 1.00 71.03 C ATOM 754 C ASP A 52 3.104 6.371 3.297 1.00 21.03 C ATOM 755 O ASP A 52 2.816 7.568 3.297 1.00 53.33 O ATOM 756 CB ASP A 52 2.858 6.206 5.781 1.00 40.41 C ATOM 757 CG ASP A 52 2.308 5.079 6.635 1.00 34.12 C ATOM 758 OD1 ASP A 52 3.060 4.120 6.909 1.00 74.33 O ATOM 759 OD2 ASP A 52 1.126 5.157 7.031 1.00 30.41 O ATOM 0 H ASP A 52 5.328 6.911 4.681 1.00 4.31 H new ATOM 0 HA ASP A 52 3.468 4.618 4.469 1.00 71.03 H new ATOM 0 HB2 ASP A 52 3.517 6.828 6.386 1.00 40.41 H new ATOM 0 HB3 ASP A 52 2.036 6.841 5.449 1.00 40.41 H new ATOM 764 N ILE A 53 2.990 5.598 2.223 1.00 14.22 N ATOM 765 CA ILE A 53 2.505 6.123 0.952 1.00 23.24 C ATOM 766 C ILE A 53 1.212 5.434 0.530 1.00 64.31 C ATOM 767 O ILE A 53 1.166 4.695 -0.453 1.00 4.32 O ATOM 768 CB ILE A 53 3.552 5.953 -0.164 1.00 11.04 C ATOM 769 CG1 ILE A 53 4.902 6.520 0.282 1.00 52.11 C ATOM 770 CG2 ILE A 53 3.081 6.634 -1.440 1.00 12.13 C ATOM 771 CD1 ILE A 53 4.879 8.013 0.526 1.00 54.31 C ATOM 0 H ILE A 53 3.227 4.606 2.207 1.00 14.22 H new ATOM 0 HA ILE A 53 2.315 7.186 1.102 1.00 23.24 H new ATOM 0 HB ILE A 53 3.675 4.889 -0.367 1.00 11.04 H new ATOM 0 HG12 ILE A 53 5.215 6.015 1.196 1.00 52.11 H new ATOM 0 HG13 ILE A 53 5.650 6.296 -0.478 1.00 52.11 H new ATOM 0 HG21 ILE A 53 3.832 6.505 -2.220 1.00 12.13 H new ATOM 0 HG22 ILE A 53 2.141 6.188 -1.764 1.00 12.13 H new ATOM 0 HG23 ILE A 53 2.933 7.697 -1.251 1.00 12.13 H new ATOM 0 HD11 ILE A 53 5.869 8.346 0.839 1.00 54.31 H new ATOM 0 HD12 ILE A 53 4.597 8.527 -0.393 1.00 54.31 H new ATOM 0 HD13 ILE A 53 4.155 8.243 1.308 1.00 54.31 H new ATOM 783 N PRO A 54 0.134 5.684 1.289 1.00 10.22 N ATOM 784 CA PRO A 54 -1.182 5.099 1.011 1.00 30.23 C ATOM 785 C PRO A 54 -1.816 5.672 -0.251 1.00 35.24 C ATOM 786 O PRO A 54 -1.224 6.511 -0.928 1.00 21.43 O ATOM 787 CB PRO A 54 -2.006 5.478 2.244 1.00 24.12 C ATOM 788 CG PRO A 54 -1.350 6.706 2.775 1.00 60.21 C ATOM 789 CD PRO A 54 0.116 6.555 2.475 1.00 63.13 C ATOM 0 HA PRO A 54 -1.122 4.025 0.836 1.00 30.23 H new ATOM 0 HB2 PRO A 54 -3.047 5.667 1.982 1.00 24.12 H new ATOM 0 HB3 PRO A 54 -2.004 4.677 2.983 1.00 24.12 H new ATOM 0 HG2 PRO A 54 -1.755 7.601 2.302 1.00 60.21 H new ATOM 0 HG3 PRO A 54 -1.521 6.807 3.847 1.00 60.21 H new ATOM 0 HD2 PRO A 54 0.586 7.518 2.274 1.00 63.13 H new ATOM 0 HD3 PRO A 54 0.653 6.107 3.311 1.00 63.13 H new ATOM 797 N GLU A 55 -3.024 5.213 -0.561 1.00 70.00 N ATOM 798 CA GLU A 55 -3.739 5.682 -1.744 1.00 23.13 C ATOM 799 C GLU A 55 -5.136 5.073 -1.811 1.00 72.13 C ATOM 800 O GLU A 55 -5.462 4.338 -2.744 1.00 71.13 O ATOM 801 CB GLU A 55 -2.956 5.331 -3.011 1.00 60.10 C ATOM 802 CG GLU A 55 -3.200 6.293 -4.162 1.00 53.13 C ATOM 803 CD GLU A 55 -2.870 5.684 -5.511 1.00 23.40 C ATOM 804 OE1 GLU A 55 -2.737 6.448 -6.489 1.00 72.33 O ATOM 805 OE2 GLU A 55 -2.744 4.444 -5.588 1.00 40.11 O ATOM 0 H GLU A 55 -3.528 4.518 -0.011 1.00 70.00 H new ATOM 0 HA GLU A 55 -3.837 6.765 -1.674 1.00 23.13 H new ATOM 0 HB2 GLU A 55 -1.891 5.318 -2.778 1.00 60.10 H new ATOM 0 HB3 GLU A 55 -3.225 4.323 -3.327 1.00 60.10 H new ATOM 0 HG2 GLU A 55 -4.244 6.606 -4.154 1.00 53.13 H new ATOM 0 HG3 GLU A 55 -2.598 7.190 -4.015 1.00 53.13 H new ATOM 812 N THR A 56 -5.960 5.385 -0.815 1.00 73.22 N ATOM 813 CA THR A 56 -7.322 4.869 -0.760 1.00 41.03 C ATOM 814 C THR A 56 -8.296 5.939 -0.280 1.00 21.13 C ATOM 815 O THR A 56 -7.949 6.784 0.547 1.00 14.01 O ATOM 816 CB THR A 56 -7.421 3.646 0.171 1.00 55.32 C ATOM 817 OG1 THR A 56 -7.350 4.064 1.538 1.00 24.31 O ATOM 818 CG2 THR A 56 -6.307 2.652 -0.120 1.00 53.10 C ATOM 0 H THR A 56 -5.707 5.993 -0.036 1.00 73.22 H new ATOM 0 HA THR A 56 -7.588 4.568 -1.773 1.00 41.03 H new ATOM 0 HB THR A 56 -8.378 3.157 -0.009 1.00 55.32 H new ATOM 0 HG1 THR A 56 -7.415 3.281 2.123 1.00 24.31 H new ATOM 0 HG21 THR A 56 -6.398 1.797 0.550 1.00 53.10 H new ATOM 0 HG22 THR A 56 -6.383 2.313 -1.153 1.00 53.10 H new ATOM 0 HG23 THR A 56 -5.341 3.133 0.034 1.00 53.10 H new ATOM 826 N LEU A 57 -9.517 5.898 -0.803 1.00 63.43 N ATOM 827 CA LEU A 57 -10.542 6.865 -0.427 1.00 14.21 C ATOM 828 C LEU A 57 -10.710 6.921 1.088 1.00 10.34 C ATOM 829 O LEU A 57 -10.956 7.983 1.657 1.00 72.13 O ATOM 830 CB LEU A 57 -11.875 6.505 -1.086 1.00 42.42 C ATOM 831 CG LEU A 57 -12.770 7.682 -1.476 1.00 3.41 C ATOM 832 CD1 LEU A 57 -13.041 8.569 -0.270 1.00 61.15 C ATOM 833 CD2 LEU A 57 -12.135 8.487 -2.600 1.00 31.14 C ATOM 0 H LEU A 57 -9.821 5.206 -1.488 1.00 63.43 H new ATOM 0 HA LEU A 57 -10.224 7.848 -0.775 1.00 14.21 H new ATOM 0 HB2 LEU A 57 -11.668 5.919 -1.982 1.00 42.42 H new ATOM 0 HB3 LEU A 57 -12.432 5.861 -0.405 1.00 42.42 H new ATOM 0 HG LEU A 57 -13.721 7.287 -1.832 1.00 3.41 H new ATOM 0 HD11 LEU A 57 -13.679 9.401 -0.567 1.00 61.15 H new ATOM 0 HD12 LEU A 57 -13.540 7.987 0.505 1.00 61.15 H new ATOM 0 HD13 LEU A 57 -12.098 8.955 0.117 1.00 61.15 H new ATOM 0 HD21 LEU A 57 -12.786 9.320 -2.864 1.00 31.14 H new ATOM 0 HD22 LEU A 57 -11.169 8.871 -2.272 1.00 31.14 H new ATOM 0 HD23 LEU A 57 -11.994 7.847 -3.471 1.00 31.14 H new ATOM 845 N ASP A 58 -10.571 5.768 1.736 1.00 30.20 N ATOM 846 CA ASP A 58 -10.704 5.686 3.186 1.00 61.21 C ATOM 847 C ASP A 58 -9.551 6.407 3.879 1.00 74.34 C ATOM 848 O ASP A 58 -9.729 7.001 4.941 1.00 13.21 O ATOM 849 CB ASP A 58 -10.749 4.224 3.632 1.00 63.23 C ATOM 850 CG ASP A 58 -12.148 3.643 3.571 1.00 73.41 C ATOM 851 OD1 ASP A 58 -13.100 4.341 3.979 1.00 33.21 O ATOM 852 OD2 ASP A 58 -12.292 2.490 3.112 1.00 21.32 O ATOM 0 H ASP A 58 -10.367 4.879 1.280 1.00 30.20 H new ATOM 0 HA ASP A 58 -11.637 6.174 3.470 1.00 61.21 H new ATOM 0 HB2 ASP A 58 -10.086 3.634 3.000 1.00 63.23 H new ATOM 0 HB3 ASP A 58 -10.371 4.146 4.651 1.00 63.23 H new ATOM 857 N GLN A 59 -8.372 6.349 3.269 1.00 1.14 N ATOM 858 CA GLN A 59 -7.190 6.995 3.829 1.00 14.25 C ATOM 859 C GLN A 59 -7.275 8.509 3.678 1.00 72.32 C ATOM 860 O GLN A 59 -7.242 9.246 4.664 1.00 22.24 O ATOM 861 CB GLN A 59 -5.925 6.472 3.145 1.00 50.53 C ATOM 862 CG GLN A 59 -4.649 7.127 3.646 1.00 63.42 C ATOM 863 CD GLN A 59 -4.128 8.189 2.698 1.00 23.30 C ATOM 864 OE1 GLN A 59 -3.829 9.312 3.107 1.00 11.32 O ATOM 865 NE2 GLN A 59 -4.013 7.839 1.421 1.00 45.44 N ATOM 0 H GLN A 59 -8.209 5.862 2.388 1.00 1.14 H new ATOM 0 HA GLN A 59 -7.145 6.756 4.892 1.00 14.25 H new ATOM 0 HB2 GLN A 59 -5.856 5.395 3.301 1.00 50.53 H new ATOM 0 HB3 GLN A 59 -6.009 6.634 2.070 1.00 50.53 H new ATOM 0 HG2 GLN A 59 -4.834 7.576 4.622 1.00 63.42 H new ATOM 0 HG3 GLN A 59 -3.884 6.363 3.786 1.00 63.42 H new ATOM 0 HE21 GLN A 59 -4.272 6.898 1.125 1.00 45.44 H new ATOM 0 HE22 GLN A 59 -3.666 8.511 0.737 1.00 45.44 H new ATOM 874 N LEU A 60 -7.385 8.970 2.436 1.00 34.42 N ATOM 875 CA LEU A 60 -7.474 10.399 2.155 1.00 53.41 C ATOM 876 C LEU A 60 -8.538 11.059 3.026 1.00 23.33 C ATOM 877 O LEU A 60 -8.332 12.154 3.550 1.00 75.22 O ATOM 878 CB LEU A 60 -7.795 10.628 0.676 1.00 24.52 C ATOM 879 CG LEU A 60 -6.598 10.907 -0.234 1.00 22.33 C ATOM 880 CD1 LEU A 60 -5.841 12.137 0.240 1.00 41.14 C ATOM 881 CD2 LEU A 60 -5.675 9.698 -0.286 1.00 64.12 C ATOM 0 H LEU A 60 -7.415 8.375 1.608 1.00 34.42 H new ATOM 0 HA LEU A 60 -6.510 10.851 2.386 1.00 53.41 H new ATOM 0 HB2 LEU A 60 -8.317 9.749 0.298 1.00 24.52 H new ATOM 0 HB3 LEU A 60 -8.487 11.467 0.600 1.00 24.52 H new ATOM 0 HG LEU A 60 -6.969 11.100 -1.240 1.00 22.33 H new ATOM 0 HD11 LEU A 60 -4.993 12.319 -0.420 1.00 41.14 H new ATOM 0 HD12 LEU A 60 -6.505 13.001 0.225 1.00 41.14 H new ATOM 0 HD13 LEU A 60 -5.481 11.974 1.256 1.00 41.14 H new ATOM 0 HD21 LEU A 60 -4.829 9.914 -0.938 1.00 64.12 H new ATOM 0 HD22 LEU A 60 -5.312 9.474 0.717 1.00 64.12 H new ATOM 0 HD23 LEU A 60 -6.222 8.839 -0.674 1.00 64.12 H new ATOM 893 N ARG A 61 -9.673 10.385 3.178 1.00 24.40 N ATOM 894 CA ARG A 61 -10.768 10.907 3.986 1.00 61.22 C ATOM 895 C ARG A 61 -10.360 11.013 5.453 1.00 35.23 C ATOM 896 O ARG A 61 -10.466 12.077 6.063 1.00 42.24 O ATOM 897 CB ARG A 61 -12.000 10.011 3.853 1.00 51.32 C ATOM 898 CG ARG A 61 -13.237 10.568 4.540 1.00 32.11 C ATOM 899 CD ARG A 61 -13.754 9.621 5.611 1.00 71.10 C ATOM 900 NE ARG A 61 -14.669 8.622 5.064 1.00 73.43 N ATOM 901 CZ ARG A 61 -15.934 8.879 4.750 1.00 42.13 C ATOM 902 NH1 ARG A 61 -16.431 10.096 4.928 1.00 3.21 N ATOM 903 NH2 ARG A 61 -16.704 7.918 4.257 1.00 72.14 N ATOM 0 H ARG A 61 -9.858 9.477 2.752 1.00 24.40 H new ATOM 0 HA ARG A 61 -11.011 11.905 3.621 1.00 61.22 H new ATOM 0 HB2 ARG A 61 -12.218 9.863 2.795 1.00 51.32 H new ATOM 0 HB3 ARG A 61 -11.773 9.031 4.272 1.00 51.32 H new ATOM 0 HG2 ARG A 61 -13.002 11.533 4.989 1.00 32.11 H new ATOM 0 HG3 ARG A 61 -14.018 10.743 3.800 1.00 32.11 H new ATOM 0 HD2 ARG A 61 -12.912 9.119 6.088 1.00 71.10 H new ATOM 0 HD3 ARG A 61 -14.264 10.194 6.386 1.00 71.10 H new ATOM 0 HE ARG A 61 -14.318 7.676 4.915 1.00 73.43 H new ATOM 0 HH11 ARG A 61 -15.842 10.837 5.307 1.00 3.21 H new ATOM 0 HH12 ARG A 61 -17.403 10.291 4.686 1.00 3.21 H new ATOM 0 HH21 ARG A 61 -16.325 6.981 4.119 1.00 72.14 H new ATOM 0 HH22 ARG A 61 -17.675 8.116 4.016 1.00 72.14 H new ATOM 917 N LEU A 62 -9.891 9.902 6.013 1.00 54.15 N ATOM 918 CA LEU A 62 -9.467 9.869 7.408 1.00 32.03 C ATOM 919 C LEU A 62 -8.433 10.954 7.688 1.00 32.12 C ATOM 920 O LEU A 62 -8.443 11.578 8.749 1.00 11.33 O ATOM 921 CB LEU A 62 -8.888 8.496 7.752 1.00 33.13 C ATOM 922 CG LEU A 62 -9.685 7.665 8.758 1.00 4.15 C ATOM 923 CD1 LEU A 62 -9.912 8.452 10.039 1.00 2.24 C ATOM 924 CD2 LEU A 62 -11.013 7.227 8.156 1.00 43.11 C ATOM 0 H LEU A 62 -9.795 9.013 5.522 1.00 54.15 H new ATOM 0 HA LEU A 62 -10.340 10.056 8.033 1.00 32.03 H new ATOM 0 HB2 LEU A 62 -8.794 7.922 6.830 1.00 33.13 H new ATOM 0 HB3 LEU A 62 -7.881 8.636 8.144 1.00 33.13 H new ATOM 0 HG LEU A 62 -9.108 6.773 9.001 1.00 4.15 H new ATOM 0 HD11 LEU A 62 -10.481 7.845 10.743 1.00 2.24 H new ATOM 0 HD12 LEU A 62 -8.950 8.714 10.480 1.00 2.24 H new ATOM 0 HD13 LEU A 62 -10.468 9.362 9.813 1.00 2.24 H new ATOM 0 HD21 LEU A 62 -11.566 6.637 8.886 1.00 43.11 H new ATOM 0 HD22 LEU A 62 -11.596 8.106 7.883 1.00 43.11 H new ATOM 0 HD23 LEU A 62 -10.828 6.624 7.267 1.00 43.11 H new ATOM 936 N VAL A 63 -7.541 11.177 6.728 1.00 53.03 N ATOM 937 CA VAL A 63 -6.501 12.190 6.870 1.00 14.11 C ATOM 938 C VAL A 63 -7.107 13.579 7.032 1.00 21.31 C ATOM 939 O VAL A 63 -6.711 14.340 7.915 1.00 1.45 O ATOM 940 CB VAL A 63 -5.552 12.193 5.657 1.00 53.13 C ATOM 941 CG1 VAL A 63 -4.482 13.262 5.819 1.00 15.11 C ATOM 942 CG2 VAL A 63 -4.924 10.821 5.468 1.00 22.33 C ATOM 0 H VAL A 63 -7.517 10.670 5.843 1.00 53.03 H new ATOM 0 HA VAL A 63 -5.933 11.938 7.765 1.00 14.11 H new ATOM 0 HB VAL A 63 -6.132 12.427 4.764 1.00 53.13 H new ATOM 0 HG11 VAL A 63 -3.821 13.249 4.953 1.00 15.11 H new ATOM 0 HG12 VAL A 63 -4.955 14.241 5.900 1.00 15.11 H new ATOM 0 HG13 VAL A 63 -3.903 13.063 6.721 1.00 15.11 H new ATOM 0 HG21 VAL A 63 -4.257 10.842 4.606 1.00 22.33 H new ATOM 0 HG22 VAL A 63 -4.357 10.554 6.360 1.00 22.33 H new ATOM 0 HG23 VAL A 63 -5.708 10.082 5.302 1.00 22.33 H new ATOM 952 N ILE A 64 -8.068 13.903 6.174 1.00 61.31 N ATOM 953 CA ILE A 64 -8.730 15.202 6.224 1.00 32.23 C ATOM 954 C ILE A 64 -9.343 15.454 7.597 1.00 12.50 C ATOM 955 O ILE A 64 -9.232 16.551 8.145 1.00 2.31 O ATOM 956 CB ILE A 64 -9.830 15.314 5.153 1.00 51.44 C ATOM 957 CG1 ILE A 64 -9.213 15.319 3.753 1.00 63.12 C ATOM 958 CG2 ILE A 64 -10.662 16.569 5.377 1.00 21.03 C ATOM 959 CD1 ILE A 64 -8.334 16.521 3.487 1.00 32.43 C ATOM 0 H ILE A 64 -8.406 13.285 5.436 1.00 61.31 H new ATOM 0 HA ILE A 64 -7.966 15.954 6.027 1.00 32.23 H new ATOM 0 HB ILE A 64 -10.486 14.447 5.236 1.00 51.44 H new ATOM 0 HG12 ILE A 64 -8.624 14.411 3.621 1.00 63.12 H new ATOM 0 HG13 ILE A 64 -10.012 15.292 3.012 1.00 63.12 H new ATOM 0 HG21 ILE A 64 -11.436 16.634 4.612 1.00 21.03 H new ATOM 0 HG22 ILE A 64 -11.128 16.526 6.361 1.00 21.03 H new ATOM 0 HG23 ILE A 64 -10.019 17.447 5.318 1.00 21.03 H new ATOM 0 HD11 ILE A 64 -7.930 16.460 2.477 1.00 32.43 H new ATOM 0 HD12 ILE A 64 -8.924 17.432 3.587 1.00 32.43 H new ATOM 0 HD13 ILE A 64 -7.514 16.538 4.205 1.00 32.43 H new ATOM 971 N CYS A 65 -9.989 14.431 8.147 1.00 11.10 N ATOM 972 CA CYS A 65 -10.620 14.541 9.457 1.00 51.24 C ATOM 973 C CYS A 65 -9.593 14.894 10.527 1.00 4.24 C ATOM 974 O CYS A 65 -9.775 15.844 11.289 1.00 51.33 O ATOM 975 CB CYS A 65 -11.323 13.233 9.819 1.00 13.33 C ATOM 976 SG CYS A 65 -12.210 13.282 11.394 1.00 53.44 S ATOM 0 H CYS A 65 -10.089 13.517 7.706 1.00 11.10 H new ATOM 0 HA CYS A 65 -11.359 15.341 9.411 1.00 51.24 H new ATOM 0 HB2 CYS A 65 -12.027 12.980 9.026 1.00 13.33 H new ATOM 0 HB3 CYS A 65 -10.583 12.434 9.856 1.00 13.33 H new ATOM 0 HG CYS A 65 -12.773 12.130 11.611 1.00 53.44 H new ATOM 982 N ASP A 66 -8.513 14.121 10.581 1.00 12.22 N ATOM 983 CA ASP A 66 -7.456 14.350 11.559 1.00 72.04 C ATOM 984 C ASP A 66 -6.786 15.702 11.328 1.00 53.41 C ATOM 985 O ASP A 66 -6.747 16.548 12.221 1.00 4.05 O ATOM 986 CB ASP A 66 -6.414 13.232 11.488 1.00 72.12 C ATOM 987 CG ASP A 66 -7.046 11.863 11.331 1.00 24.03 C ATOM 988 OD1 ASP A 66 -6.563 11.081 10.485 1.00 11.13 O ATOM 989 OD2 ASP A 66 -8.021 11.573 12.055 1.00 61.41 O ATOM 0 H ASP A 66 -8.347 13.330 9.959 1.00 12.22 H new ATOM 0 HA ASP A 66 -7.907 14.352 12.551 1.00 72.04 H new ATOM 0 HB2 ASP A 66 -5.742 13.418 10.650 1.00 72.12 H new ATOM 0 HB3 ASP A 66 -5.806 13.247 12.393 1.00 72.12 H new ATOM 994 N LEU A 67 -6.259 15.897 10.124 1.00 40.11 N ATOM 995 CA LEU A 67 -5.589 17.145 9.775 1.00 15.40 C ATOM 996 C LEU A 67 -6.482 18.345 10.078 1.00 21.13 C ATOM 997 O LEU A 67 -5.998 19.406 10.470 1.00 30.43 O ATOM 998 CB LEU A 67 -5.204 17.143 8.295 1.00 1.04 C ATOM 999 CG LEU A 67 -3.927 17.905 7.933 1.00 12.42 C ATOM 1000 CD1 LEU A 67 -3.489 17.568 6.517 1.00 32.44 C ATOM 1001 CD2 LEU A 67 -4.140 19.404 8.085 1.00 13.13 C ATOM 0 H LEU A 67 -6.283 15.207 9.373 1.00 40.11 H new ATOM 0 HA LEU A 67 -4.685 17.225 10.379 1.00 15.40 H new ATOM 0 HB2 LEU A 67 -5.090 16.109 7.971 1.00 1.04 H new ATOM 0 HB3 LEU A 67 -6.030 17.567 7.724 1.00 1.04 H new ATOM 0 HG LEU A 67 -3.137 17.599 8.618 1.00 12.42 H new ATOM 0 HD11 LEU A 67 -2.580 18.119 6.277 1.00 32.44 H new ATOM 0 HD12 LEU A 67 -3.296 16.498 6.441 1.00 32.44 H new ATOM 0 HD13 LEU A 67 -4.277 17.845 5.817 1.00 32.44 H new ATOM 0 HD21 LEU A 67 -3.222 19.930 7.824 1.00 13.13 H new ATOM 0 HD22 LEU A 67 -4.944 19.726 7.423 1.00 13.13 H new ATOM 0 HD23 LEU A 67 -4.407 19.631 9.117 1.00 13.13 H new ATOM 1013 N GLN A 68 -7.786 18.167 9.896 1.00 5.55 N ATOM 1014 CA GLN A 68 -8.745 19.234 10.152 1.00 71.32 C ATOM 1015 C GLN A 68 -8.746 19.624 11.627 1.00 32.42 C ATOM 1016 O GLN A 68 -8.612 20.799 11.967 1.00 42.30 O ATOM 1017 CB GLN A 68 -10.149 18.801 9.726 1.00 1.01 C ATOM 1018 CG GLN A 68 -11.220 19.839 10.014 1.00 64.42 C ATOM 1019 CD GLN A 68 -11.786 19.722 11.416 1.00 11.15 C ATOM 1020 OE1 GLN A 68 -11.802 20.692 12.175 1.00 1.40 O ATOM 1021 NE2 GLN A 68 -12.254 18.530 11.767 1.00 44.21 N ATOM 0 H GLN A 68 -8.202 17.294 9.572 1.00 5.55 H new ATOM 0 HA GLN A 68 -8.447 20.103 9.565 1.00 71.32 H new ATOM 0 HB2 GLN A 68 -10.144 18.583 8.658 1.00 1.01 H new ATOM 0 HB3 GLN A 68 -10.406 17.874 10.239 1.00 1.01 H new ATOM 0 HG2 GLN A 68 -10.800 20.836 9.878 1.00 64.42 H new ATOM 0 HG3 GLN A 68 -12.028 19.732 9.290 1.00 64.42 H new ATOM 0 HE21 GLN A 68 -12.221 17.754 11.106 1.00 44.21 H new ATOM 0 HE22 GLN A 68 -12.647 18.390 12.698 1.00 44.21 H new ATOM 1030 N GLU A 69 -8.897 18.631 12.497 1.00 35.33 N ATOM 1031 CA GLU A 69 -8.916 18.871 13.934 1.00 51.41 C ATOM 1032 C GLU A 69 -7.666 19.627 14.376 1.00 24.23 C ATOM 1033 O GLU A 69 -7.744 20.571 15.162 1.00 22.03 O ATOM 1034 CB GLU A 69 -9.020 17.547 14.694 1.00 61.23 C ATOM 1035 CG GLU A 69 -10.078 17.553 15.785 1.00 23.12 C ATOM 1036 CD GLU A 69 -10.023 18.801 16.644 1.00 54.42 C ATOM 1037 OE1 GLU A 69 -8.916 19.165 17.091 1.00 62.41 O ATOM 1038 OE2 GLU A 69 -11.088 19.414 16.869 1.00 52.03 O ATOM 0 H GLU A 69 -9.008 17.652 12.231 1.00 35.33 H new ATOM 0 HA GLU A 69 -9.789 19.482 14.163 1.00 51.41 H new ATOM 0 HB2 GLU A 69 -9.244 16.748 13.987 1.00 61.23 H new ATOM 0 HB3 GLU A 69 -8.052 17.316 15.139 1.00 61.23 H new ATOM 0 HG2 GLU A 69 -11.065 17.473 15.329 1.00 23.12 H new ATOM 0 HG3 GLU A 69 -9.947 16.675 16.418 1.00 23.12 H new ATOM 1045 N ARG A 70 -6.514 19.204 13.865 1.00 52.41 N ATOM 1046 CA ARG A 70 -5.247 19.838 14.208 1.00 73.31 C ATOM 1047 C ARG A 70 -5.141 21.219 13.569 1.00 62.23 C ATOM 1048 O ARG A 70 -4.550 22.135 14.142 1.00 42.15 O ATOM 1049 CB ARG A 70 -4.076 18.964 13.755 1.00 3.32 C ATOM 1050 CG ARG A 70 -3.176 18.515 14.895 1.00 31.53 C ATOM 1051 CD ARG A 70 -1.706 18.699 14.549 1.00 15.44 C ATOM 1052 NE ARG A 70 -0.838 18.433 15.693 1.00 30.33 N ATOM 1053 CZ ARG A 70 0.482 18.585 15.665 1.00 55.21 C ATOM 1054 NH1 ARG A 70 1.081 19.000 14.557 1.00 41.01 N ATOM 1055 NH2 ARG A 70 1.204 18.323 16.746 1.00 2.25 N ATOM 0 H ARG A 70 -6.432 18.425 13.212 1.00 52.41 H new ATOM 0 HA ARG A 70 -5.208 19.953 15.291 1.00 73.31 H new ATOM 0 HB2 ARG A 70 -4.467 18.084 13.243 1.00 3.32 H new ATOM 0 HB3 ARG A 70 -3.480 19.517 13.029 1.00 3.32 H new ATOM 0 HG2 ARG A 70 -3.414 19.084 15.794 1.00 31.53 H new ATOM 0 HG3 ARG A 70 -3.369 17.466 15.122 1.00 31.53 H new ATOM 0 HD2 ARG A 70 -1.440 18.032 13.729 1.00 15.44 H new ATOM 0 HD3 ARG A 70 -1.541 19.717 14.197 1.00 15.44 H new ATOM 0 HE ARG A 70 -1.268 18.113 16.561 1.00 30.33 H new ATOM 0 HH11 ARG A 70 0.529 19.203 13.724 1.00 41.01 H new ATOM 0 HH12 ARG A 70 2.094 19.116 14.538 1.00 41.01 H new ATOM 0 HH21 ARG A 70 0.746 18.004 17.600 1.00 2.25 H new ATOM 0 HH22 ARG A 70 2.217 18.440 16.723 1.00 2.25 H new ATOM 1069 N ARG A 71 -5.717 21.362 12.380 1.00 22.51 N ATOM 1070 CA ARG A 71 -5.686 22.632 11.663 1.00 30.05 C ATOM 1071 C ARG A 71 -6.437 23.712 12.436 1.00 11.41 C ATOM 1072 O ARG A 71 -6.065 24.884 12.403 1.00 32.14 O ATOM 1073 CB ARG A 71 -6.296 22.470 10.270 1.00 35.25 C ATOM 1074 CG ARG A 71 -6.504 23.785 9.538 1.00 44.54 C ATOM 1075 CD ARG A 71 -7.982 24.086 9.343 1.00 23.52 C ATOM 1076 NE ARG A 71 -8.200 25.419 8.785 1.00 13.31 N ATOM 1077 CZ ARG A 71 -9.404 25.949 8.598 1.00 1.22 C ATOM 1078 NH1 ARG A 71 -10.491 25.263 8.923 1.00 61.11 N ATOM 1079 NH2 ARG A 71 -9.521 27.167 8.086 1.00 13.43 N ATOM 0 H ARG A 71 -6.211 20.614 11.892 1.00 22.51 H new ATOM 0 HA ARG A 71 -4.645 22.939 11.563 1.00 30.05 H new ATOM 0 HB2 ARG A 71 -5.648 21.830 9.671 1.00 35.25 H new ATOM 0 HB3 ARG A 71 -7.254 21.959 10.360 1.00 35.25 H new ATOM 0 HG2 ARG A 71 -6.038 24.594 10.101 1.00 44.54 H new ATOM 0 HG3 ARG A 71 -6.009 23.745 8.568 1.00 44.54 H new ATOM 0 HD2 ARG A 71 -8.420 23.339 8.680 1.00 23.52 H new ATOM 0 HD3 ARG A 71 -8.498 24.005 10.300 1.00 23.52 H new ATOM 0 HE ARG A 71 -7.384 25.973 8.525 1.00 13.31 H new ATOM 0 HH11 ARG A 71 -10.404 24.326 9.317 1.00 61.11 H new ATOM 0 HH12 ARG A 71 -11.414 25.672 8.779 1.00 61.11 H new ATOM 0 HH21 ARG A 71 -8.686 27.697 7.836 1.00 13.43 H new ATOM 0 HH22 ARG A 71 -10.446 27.573 7.943 1.00 13.43 H new ATOM 1093 N GLU A 72 -7.496 23.306 13.130 1.00 63.15 N ATOM 1094 CA GLU A 72 -8.300 24.241 13.910 1.00 22.55 C ATOM 1095 C GLU A 72 -7.592 24.613 15.210 1.00 40.41 C ATOM 1096 O GLU A 72 -7.365 25.790 15.491 1.00 4.24 O ATOM 1097 CB GLU A 72 -9.671 23.635 14.218 1.00 21.33 C ATOM 1098 CG GLU A 72 -10.509 24.476 15.165 1.00 63.04 C ATOM 1099 CD GLU A 72 -10.504 25.947 14.798 1.00 73.35 C ATOM 1100 OE1 GLU A 72 -10.044 26.764 15.624 1.00 55.24 O ATOM 1101 OE2 GLU A 72 -10.961 26.283 13.685 1.00 43.34 O ATOM 0 H GLU A 72 -7.817 22.338 13.168 1.00 63.15 H new ATOM 0 HA GLU A 72 -8.436 25.146 13.318 1.00 22.55 H new ATOM 0 HB2 GLU A 72 -10.217 23.501 13.285 1.00 21.33 H new ATOM 0 HB3 GLU A 72 -9.532 22.645 14.651 1.00 21.33 H new ATOM 0 HG2 GLU A 72 -11.535 24.108 15.161 1.00 63.04 H new ATOM 0 HG3 GLU A 72 -10.132 24.357 16.181 1.00 63.04 H new ATOM 1108 N LYS A 73 -7.247 23.602 15.999 1.00 44.40 N ATOM 1109 CA LYS A 73 -6.565 23.821 17.270 1.00 32.25 C ATOM 1110 C LYS A 73 -5.299 24.649 17.072 1.00 52.42 C ATOM 1111 O LYS A 73 -4.858 25.353 17.981 1.00 21.11 O ATOM 1112 CB LYS A 73 -6.215 22.481 17.921 1.00 22.34 C ATOM 1113 CG LYS A 73 -6.347 22.487 19.434 1.00 44.23 C ATOM 1114 CD LYS A 73 -6.350 21.076 19.999 1.00 51.12 C ATOM 1115 CE LYS A 73 -7.499 20.870 20.975 1.00 11.30 C ATOM 1116 NZ LYS A 73 -7.166 21.370 22.337 1.00 30.21 N ATOM 0 H LYS A 73 -7.428 22.622 15.781 1.00 44.40 H new ATOM 0 HA LYS A 73 -7.239 24.372 17.926 1.00 32.25 H new ATOM 0 HB2 LYS A 73 -6.864 21.707 17.511 1.00 22.34 H new ATOM 0 HB3 LYS A 73 -5.192 22.213 17.655 1.00 22.34 H new ATOM 0 HG2 LYS A 73 -5.523 23.053 19.870 1.00 44.23 H new ATOM 0 HG3 LYS A 73 -7.268 22.996 19.718 1.00 44.23 H new ATOM 0 HD2 LYS A 73 -6.430 20.357 19.184 1.00 51.12 H new ATOM 0 HD3 LYS A 73 -5.403 20.883 20.503 1.00 51.12 H new ATOM 0 HE2 LYS A 73 -8.386 21.385 20.606 1.00 11.30 H new ATOM 0 HE3 LYS A 73 -7.745 19.809 21.028 1.00 11.30 H new ATOM 0 HZ1 LYS A 73 -7.974 21.211 22.972 1.00 30.21 H new ATOM 0 HZ2 LYS A 73 -6.335 20.861 22.700 1.00 30.21 H new ATOM 0 HZ3 LYS A 73 -6.956 22.388 22.292 1.00 30.21 H new ATOM 1130 N PHE A 74 -4.720 24.560 15.879 1.00 44.34 N ATOM 1131 CA PHE A 74 -3.506 25.302 15.563 1.00 64.30 C ATOM 1132 C PHE A 74 -3.838 26.617 14.863 1.00 75.12 C ATOM 1133 O PHE A 74 -3.063 27.571 14.910 1.00 74.22 O ATOM 1134 CB PHE A 74 -2.583 24.460 14.679 1.00 13.43 C ATOM 1135 CG PHE A 74 -1.180 24.989 14.600 1.00 2.13 C ATOM 1136 CD1 PHE A 74 -0.704 25.555 13.429 1.00 24.21 C ATOM 1137 CD2 PHE A 74 -0.338 24.920 15.699 1.00 35.51 C ATOM 1138 CE1 PHE A 74 0.588 26.043 13.354 1.00 11.51 C ATOM 1139 CE2 PHE A 74 0.954 25.407 15.629 1.00 33.33 C ATOM 1140 CZ PHE A 74 1.418 25.968 14.455 1.00 42.34 C ATOM 0 H PHE A 74 -5.072 23.982 15.116 1.00 44.34 H new ATOM 0 HA PHE A 74 -2.995 25.528 16.499 1.00 64.30 H new ATOM 0 HB2 PHE A 74 -2.557 23.440 15.063 1.00 13.43 H new ATOM 0 HB3 PHE A 74 -3.001 24.411 13.674 1.00 13.43 H new ATOM 0 HD1 PHE A 74 -1.349 25.616 12.565 1.00 24.21 H new ATOM 0 HD2 PHE A 74 -0.695 24.481 16.619 1.00 35.51 H new ATOM 0 HE1 PHE A 74 0.947 26.482 12.435 1.00 11.51 H new ATOM 0 HE2 PHE A 74 1.601 25.349 16.492 1.00 33.33 H new ATOM 0 HZ PHE A 74 2.428 26.347 14.398 1.00 42.34 H new ATOM 1150 N GLY A 75 -4.997 26.657 14.212 1.00 62.14 N ATOM 1151 CA GLY A 75 -5.412 27.858 13.510 1.00 60.21 C ATOM 1152 C GLY A 75 -5.227 27.746 12.010 1.00 21.44 C ATOM 1153 O GLY A 75 -4.574 26.822 11.526 1.00 51.22 O ATOM 0 H GLY A 75 -5.655 25.880 14.158 1.00 62.14 H new ATOM 0 HA2 GLY A 75 -6.460 28.059 13.730 1.00 60.21 H new ATOM 0 HA3 GLY A 75 -4.840 28.708 13.881 1.00 60.21 H new ATOM 1157 N SER A 76 -5.804 28.689 11.272 1.00 42.32 N ATOM 1158 CA SER A 76 -5.704 28.689 9.818 1.00 74.53 C ATOM 1159 C SER A 76 -4.364 29.261 9.364 1.00 42.35 C ATOM 1160 O SER A 76 -3.781 30.111 10.037 1.00 41.24 O ATOM 1161 CB SER A 76 -6.850 29.498 9.206 1.00 51.01 C ATOM 1162 OG SER A 76 -7.860 29.757 10.166 1.00 62.51 O ATOM 0 H SER A 76 -6.346 29.463 11.658 1.00 42.32 H new ATOM 0 HA SER A 76 -5.773 27.657 9.475 1.00 74.53 H new ATOM 0 HB2 SER A 76 -6.466 30.440 8.814 1.00 51.01 H new ATOM 0 HB3 SER A 76 -7.276 28.952 8.364 1.00 51.01 H new ATOM 0 HG SER A 76 -8.580 30.277 9.751 1.00 62.51 H new ATOM 1168 N SER A 77 -3.882 28.789 8.220 1.00 53.23 N ATOM 1169 CA SER A 77 -2.610 29.250 7.678 1.00 72.40 C ATOM 1170 C SER A 77 -2.450 28.818 6.223 1.00 13.53 C ATOM 1171 O SER A 77 -3.022 27.816 5.794 1.00 4.33 O ATOM 1172 CB SER A 77 -1.449 28.708 8.513 1.00 3.14 C ATOM 1173 OG SER A 77 -0.767 27.672 7.827 1.00 63.11 O ATOM 0 H SER A 77 -4.353 28.087 7.650 1.00 53.23 H new ATOM 0 HA SER A 77 -2.600 30.339 7.719 1.00 72.40 H new ATOM 0 HB2 SER A 77 -0.754 29.516 8.742 1.00 3.14 H new ATOM 0 HB3 SER A 77 -1.826 28.332 9.464 1.00 3.14 H new ATOM 0 HG SER A 77 0.173 27.922 7.707 1.00 63.11 H new ATOM 1179 N LYS A 78 -1.668 29.581 5.468 1.00 70.55 N ATOM 1180 CA LYS A 78 -1.429 29.279 4.062 1.00 14.54 C ATOM 1181 C LYS A 78 -0.815 27.892 3.900 1.00 3.32 C ATOM 1182 O LYS A 78 -1.066 27.204 2.912 1.00 74.13 O ATOM 1183 CB LYS A 78 -0.509 30.332 3.441 1.00 72.42 C ATOM 1184 CG LYS A 78 -1.255 31.459 2.749 1.00 73.44 C ATOM 1185 CD LYS A 78 -0.297 32.441 2.093 1.00 52.14 C ATOM 1186 CE LYS A 78 -0.840 33.862 2.137 1.00 33.40 C ATOM 1187 NZ LYS A 78 -0.943 34.373 3.531 1.00 25.20 N ATOM 0 H LYS A 78 -1.188 30.415 5.807 1.00 70.55 H new ATOM 0 HA LYS A 78 -2.389 29.295 3.545 1.00 14.54 H new ATOM 0 HB2 LYS A 78 0.126 30.753 4.221 1.00 72.42 H new ATOM 0 HB3 LYS A 78 0.150 29.847 2.720 1.00 72.42 H new ATOM 0 HG2 LYS A 78 -1.925 31.045 1.996 1.00 73.44 H new ATOM 0 HG3 LYS A 78 -1.876 31.985 3.474 1.00 73.44 H new ATOM 0 HD2 LYS A 78 0.668 32.403 2.599 1.00 52.14 H new ATOM 0 HD3 LYS A 78 -0.126 32.147 1.057 1.00 52.14 H new ATOM 0 HE2 LYS A 78 -0.190 34.517 1.557 1.00 33.40 H new ATOM 0 HE3 LYS A 78 -1.823 33.890 1.666 1.00 33.40 H new ATOM 0 HZ1 LYS A 78 -0.881 35.411 3.526 1.00 25.20 H new ATOM 0 HZ2 LYS A 78 -1.854 34.083 3.941 1.00 25.20 H new ATOM 0 HZ3 LYS A 78 -0.166 33.983 4.102 1.00 25.20 H new ATOM 1201 N GLU A 79 -0.010 27.489 4.878 1.00 53.52 N ATOM 1202 CA GLU A 79 0.639 26.184 4.843 1.00 33.25 C ATOM 1203 C GLU A 79 -0.359 25.071 5.152 1.00 21.34 C ATOM 1204 O GLU A 79 -0.524 24.136 4.368 1.00 75.02 O ATOM 1205 CB GLU A 79 1.797 26.137 5.843 1.00 61.23 C ATOM 1206 CG GLU A 79 2.858 27.197 5.594 1.00 1.44 C ATOM 1207 CD GLU A 79 3.176 28.006 6.836 1.00 64.04 C ATOM 1208 OE1 GLU A 79 4.366 28.080 7.207 1.00 33.13 O ATOM 1209 OE2 GLU A 79 2.236 28.566 7.437 1.00 72.05 O ATOM 0 H GLU A 79 0.208 28.047 5.704 1.00 53.52 H new ATOM 0 HA GLU A 79 1.030 26.029 3.838 1.00 33.25 H new ATOM 0 HB2 GLU A 79 1.401 26.261 6.851 1.00 61.23 H new ATOM 0 HB3 GLU A 79 2.262 25.152 5.802 1.00 61.23 H new ATOM 0 HG2 GLU A 79 3.768 26.717 5.234 1.00 1.44 H new ATOM 0 HG3 GLU A 79 2.518 27.868 4.805 1.00 1.44 H new ATOM 1216 N ILE A 80 -1.020 25.179 6.299 1.00 53.04 N ATOM 1217 CA ILE A 80 -2.001 24.183 6.711 1.00 42.15 C ATOM 1218 C ILE A 80 -3.142 24.086 5.704 1.00 4.31 C ATOM 1219 O ILE A 80 -3.736 23.023 5.525 1.00 45.14 O ATOM 1220 CB ILE A 80 -2.583 24.508 8.100 1.00 61.24 C ATOM 1221 CG1 ILE A 80 -3.418 23.334 8.615 1.00 73.14 C ATOM 1222 CG2 ILE A 80 -3.422 25.776 8.039 1.00 4.10 C ATOM 1223 CD1 ILE A 80 -2.605 22.091 8.896 1.00 45.10 C ATOM 0 H ILE A 80 -0.894 25.946 6.960 1.00 53.04 H new ATOM 0 HA ILE A 80 -1.480 23.227 6.759 1.00 42.15 H new ATOM 0 HB ILE A 80 -1.759 24.674 8.793 1.00 61.24 H new ATOM 0 HG12 ILE A 80 -3.931 23.637 9.528 1.00 73.14 H new ATOM 0 HG13 ILE A 80 -4.188 23.096 7.881 1.00 73.14 H new ATOM 0 HG21 ILE A 80 -3.826 25.993 9.028 1.00 4.10 H new ATOM 0 HG22 ILE A 80 -2.800 26.609 7.711 1.00 4.10 H new ATOM 0 HG23 ILE A 80 -4.242 25.636 7.334 1.00 4.10 H new ATOM 0 HD11 ILE A 80 -3.262 21.300 9.258 1.00 45.10 H new ATOM 0 HD12 ILE A 80 -2.113 21.763 7.980 1.00 45.10 H new ATOM 0 HD13 ILE A 80 -1.853 22.312 9.653 1.00 45.10 H new ATOM 1235 N ASP A 81 -3.442 25.203 5.049 1.00 14.13 N ATOM 1236 CA ASP A 81 -4.510 25.243 4.057 1.00 3.34 C ATOM 1237 C ASP A 81 -4.131 24.440 2.817 1.00 71.33 C ATOM 1238 O ASP A 81 -4.826 23.497 2.439 1.00 71.11 O ATOM 1239 CB ASP A 81 -4.821 26.689 3.668 1.00 4.04 C ATOM 1240 CG ASP A 81 -5.735 27.373 4.666 1.00 61.11 C ATOM 1241 OD1 ASP A 81 -6.115 28.537 4.421 1.00 2.12 O ATOM 1242 OD2 ASP A 81 -6.072 26.743 5.690 1.00 24.54 O ATOM 0 H ASP A 81 -2.961 26.092 5.187 1.00 14.13 H new ATOM 0 HA ASP A 81 -5.400 24.795 4.500 1.00 3.34 H new ATOM 0 HB2 ASP A 81 -3.889 27.249 3.589 1.00 4.04 H new ATOM 0 HB3 ASP A 81 -5.287 26.705 2.683 1.00 4.04 H new ATOM 1247 N MET A 82 -3.024 24.821 2.187 1.00 3.10 N ATOM 1248 CA MET A 82 -2.552 24.137 0.989 1.00 14.53 C ATOM 1249 C MET A 82 -2.455 22.632 1.225 1.00 73.25 C ATOM 1250 O MET A 82 -2.737 21.835 0.331 1.00 72.43 O ATOM 1251 CB MET A 82 -1.189 24.687 0.565 1.00 1.44 C ATOM 1252 CG MET A 82 -0.855 24.422 -0.894 1.00 64.32 C ATOM 1253 SD MET A 82 -0.777 25.935 -1.873 1.00 14.12 S ATOM 1254 CE MET A 82 -0.692 25.260 -3.531 1.00 62.30 C ATOM 0 H MET A 82 -2.437 25.600 2.487 1.00 3.10 H new ATOM 0 HA MET A 82 -3.272 24.317 0.191 1.00 14.53 H new ATOM 0 HB2 MET A 82 -1.168 25.762 0.745 1.00 1.44 H new ATOM 0 HB3 MET A 82 -0.416 24.244 1.193 1.00 1.44 H new ATOM 0 HG2 MET A 82 0.102 23.904 -0.956 1.00 64.32 H new ATOM 0 HG3 MET A 82 -1.606 23.756 -1.320 1.00 64.32 H new ATOM 0 HE1 MET A 82 -0.639 26.075 -4.253 1.00 62.30 H new ATOM 0 HE2 MET A 82 0.196 24.634 -3.624 1.00 62.30 H new ATOM 0 HE3 MET A 82 -1.581 24.660 -3.726 1.00 62.30 H new ATOM 1264 N ALA A 83 -2.055 22.252 2.434 1.00 74.22 N ATOM 1265 CA ALA A 83 -1.924 20.844 2.787 1.00 32.34 C ATOM 1266 C ALA A 83 -3.272 20.134 2.727 1.00 71.41 C ATOM 1267 O ALA A 83 -3.426 19.133 2.028 1.00 14.21 O ATOM 1268 CB ALA A 83 -1.311 20.702 4.173 1.00 52.02 C ATOM 0 H ALA A 83 -1.816 22.899 3.185 1.00 74.22 H new ATOM 0 HA ALA A 83 -1.263 20.373 2.059 1.00 32.34 H new ATOM 0 HB1 ALA A 83 -1.219 19.645 4.424 1.00 52.02 H new ATOM 0 HB2 ALA A 83 -0.324 21.165 4.183 1.00 52.02 H new ATOM 0 HB3 ALA A 83 -1.950 21.194 4.906 1.00 52.02 H new ATOM 1274 N ILE A 84 -4.244 20.659 3.464 1.00 42.43 N ATOM 1275 CA ILE A 84 -5.580 20.076 3.494 1.00 44.52 C ATOM 1276 C ILE A 84 -6.193 20.034 2.098 1.00 64.11 C ATOM 1277 O ILE A 84 -6.690 18.998 1.659 1.00 53.24 O ATOM 1278 CB ILE A 84 -6.517 20.862 4.431 1.00 35.33 C ATOM 1279 CG1 ILE A 84 -5.953 20.882 5.853 1.00 35.13 C ATOM 1280 CG2 ILE A 84 -7.912 20.253 4.417 1.00 24.35 C ATOM 1281 CD1 ILE A 84 -6.559 21.957 6.729 1.00 15.04 C ATOM 0 H ILE A 84 -4.132 21.487 4.049 1.00 42.43 H new ATOM 0 HA ILE A 84 -5.472 19.059 3.872 1.00 44.52 H new ATOM 0 HB ILE A 84 -6.586 21.889 4.074 1.00 35.33 H new ATOM 0 HG12 ILE A 84 -6.122 19.910 6.316 1.00 35.13 H new ATOM 0 HG13 ILE A 84 -4.874 21.029 5.805 1.00 35.13 H new ATOM 0 HG21 ILE A 84 -8.563 20.819 5.084 1.00 24.35 H new ATOM 0 HG22 ILE A 84 -8.313 20.286 3.404 1.00 24.35 H new ATOM 0 HG23 ILE A 84 -7.860 19.217 4.753 1.00 24.35 H new ATOM 0 HD11 ILE A 84 -6.112 21.912 7.722 1.00 15.04 H new ATOM 0 HD12 ILE A 84 -6.367 22.936 6.289 1.00 15.04 H new ATOM 0 HD13 ILE A 84 -7.635 21.799 6.808 1.00 15.04 H new ATOM 1293 N VAL A 85 -6.151 21.167 1.406 1.00 60.43 N ATOM 1294 CA VAL A 85 -6.700 21.260 0.058 1.00 71.02 C ATOM 1295 C VAL A 85 -6.114 20.184 -0.848 1.00 34.43 C ATOM 1296 O VAL A 85 -6.834 19.538 -1.611 1.00 13.23 O ATOM 1297 CB VAL A 85 -6.430 22.643 -0.565 1.00 4.33 C ATOM 1298 CG1 VAL A 85 -7.124 22.767 -1.912 1.00 3.14 C ATOM 1299 CG2 VAL A 85 -6.879 23.748 0.379 1.00 4.11 C ATOM 0 H VAL A 85 -5.743 22.034 1.756 1.00 60.43 H new ATOM 0 HA VAL A 85 -7.777 21.113 0.144 1.00 71.02 H new ATOM 0 HB VAL A 85 -5.357 22.747 -0.726 1.00 4.33 H new ATOM 0 HG11 VAL A 85 -6.922 23.750 -2.336 1.00 3.14 H new ATOM 0 HG12 VAL A 85 -6.750 21.997 -2.586 1.00 3.14 H new ATOM 0 HG13 VAL A 85 -8.199 22.643 -1.780 1.00 3.14 H new ATOM 0 HG21 VAL A 85 -6.681 24.718 -0.076 1.00 4.11 H new ATOM 0 HG22 VAL A 85 -7.947 23.649 0.573 1.00 4.11 H new ATOM 0 HG23 VAL A 85 -6.331 23.669 1.318 1.00 4.11 H new ATOM 1309 N THR A 86 -4.801 19.994 -0.762 1.00 62.11 N ATOM 1310 CA THR A 86 -4.117 18.997 -1.575 1.00 10.34 C ATOM 1311 C THR A 86 -4.649 17.597 -1.290 1.00 53.54 C ATOM 1312 O THR A 86 -4.834 16.793 -2.205 1.00 61.12 O ATOM 1313 CB THR A 86 -2.597 19.015 -1.326 1.00 72.14 C ATOM 1314 OG1 THR A 86 -2.049 20.272 -1.741 1.00 52.21 O ATOM 1315 CG2 THR A 86 -1.912 17.885 -2.079 1.00 2.13 C ATOM 0 H THR A 86 -4.190 20.519 -0.136 1.00 62.11 H new ATOM 0 HA THR A 86 -4.310 19.252 -2.617 1.00 10.34 H new ATOM 0 HB THR A 86 -2.423 18.877 -0.259 1.00 72.14 H new ATOM 0 HG1 THR A 86 -2.139 20.363 -2.713 1.00 52.21 H new ATOM 0 HG21 THR A 86 -0.839 17.918 -1.888 1.00 2.13 H new ATOM 0 HG22 THR A 86 -2.311 16.928 -1.742 1.00 2.13 H new ATOM 0 HG23 THR A 86 -2.094 17.997 -3.148 1.00 2.13 H new ATOM 1323 N LEU A 87 -4.896 17.310 -0.016 1.00 21.42 N ATOM 1324 CA LEU A 87 -5.408 16.006 0.389 1.00 25.02 C ATOM 1325 C LEU A 87 -6.738 15.707 -0.294 1.00 41.15 C ATOM 1326 O LEU A 87 -6.953 14.608 -0.806 1.00 2.43 O ATOM 1327 CB LEU A 87 -5.579 15.953 1.909 1.00 53.01 C ATOM 1328 CG LEU A 87 -4.417 15.344 2.694 1.00 22.22 C ATOM 1329 CD1 LEU A 87 -4.440 13.827 2.592 1.00 35.24 C ATOM 1330 CD2 LEU A 87 -3.089 15.894 2.195 1.00 75.40 C ATOM 0 H LEU A 87 -4.750 17.963 0.754 1.00 21.42 H new ATOM 0 HA LEU A 87 -4.686 15.249 0.084 1.00 25.02 H new ATOM 0 HB2 LEU A 87 -5.744 16.968 2.272 1.00 53.01 H new ATOM 0 HB3 LEU A 87 -6.481 15.384 2.133 1.00 53.01 H new ATOM 0 HG LEU A 87 -4.530 15.619 3.743 1.00 22.22 H new ATOM 0 HD11 LEU A 87 -3.605 13.412 3.157 1.00 35.24 H new ATOM 0 HD12 LEU A 87 -5.378 13.449 2.999 1.00 35.24 H new ATOM 0 HD13 LEU A 87 -4.353 13.531 1.546 1.00 35.24 H new ATOM 0 HD21 LEU A 87 -2.274 15.449 2.765 1.00 75.40 H new ATOM 0 HD22 LEU A 87 -2.968 15.651 1.139 1.00 75.40 H new ATOM 0 HD23 LEU A 87 -3.073 16.976 2.322 1.00 75.40 H new ATOM 1342 N LYS A 88 -7.628 16.693 -0.301 1.00 31.02 N ATOM 1343 CA LYS A 88 -8.937 16.539 -0.925 1.00 15.34 C ATOM 1344 C LYS A 88 -8.820 16.553 -2.446 1.00 51.24 C ATOM 1345 O LYS A 88 -9.242 15.613 -3.121 1.00 45.32 O ATOM 1346 CB LYS A 88 -9.879 17.654 -0.465 1.00 12.24 C ATOM 1347 CG LYS A 88 -9.924 17.828 1.043 1.00 2.41 C ATOM 1348 CD LYS A 88 -10.808 18.997 1.442 1.00 45.31 C ATOM 1349 CE LYS A 88 -10.986 19.071 2.952 1.00 73.32 C ATOM 1350 NZ LYS A 88 -11.682 20.320 3.368 1.00 14.52 N ATOM 0 H LYS A 88 -7.467 17.608 0.119 1.00 31.02 H new ATOM 0 HA LYS A 88 -9.347 15.576 -0.619 1.00 15.34 H new ATOM 0 HB2 LYS A 88 -9.567 18.593 -0.922 1.00 12.24 H new ATOM 0 HB3 LYS A 88 -10.885 17.442 -0.828 1.00 12.24 H new ATOM 0 HG2 LYS A 88 -10.297 16.914 1.505 1.00 2.41 H new ATOM 0 HG3 LYS A 88 -8.915 17.988 1.422 1.00 2.41 H new ATOM 0 HD2 LYS A 88 -10.369 19.927 1.080 1.00 45.31 H new ATOM 0 HD3 LYS A 88 -11.783 18.898 0.964 1.00 45.31 H new ATOM 0 HE2 LYS A 88 -11.556 18.207 3.293 1.00 73.32 H new ATOM 0 HE3 LYS A 88 -10.010 19.021 3.436 1.00 73.32 H new ATOM 0 HZ1 LYS A 88 -11.905 20.272 4.383 1.00 14.52 H new ATOM 0 HZ2 LYS A 88 -11.065 21.138 3.187 1.00 14.52 H new ATOM 0 HZ3 LYS A 88 -12.563 20.424 2.825 1.00 14.52 H new ATOM 1364 N VAL A 89 -8.243 17.625 -2.980 1.00 33.10 N ATOM 1365 CA VAL A 89 -8.068 17.760 -4.422 1.00 42.22 C ATOM 1366 C VAL A 89 -7.429 16.511 -5.017 1.00 73.23 C ATOM 1367 O VAL A 89 -7.747 16.112 -6.138 1.00 22.15 O ATOM 1368 CB VAL A 89 -7.200 18.984 -4.770 1.00 1.40 C ATOM 1369 CG1 VAL A 89 -6.988 19.078 -6.273 1.00 25.12 C ATOM 1370 CG2 VAL A 89 -7.834 20.257 -4.231 1.00 55.23 C ATOM 0 H VAL A 89 -7.889 18.412 -2.436 1.00 33.10 H new ATOM 0 HA VAL A 89 -9.061 17.895 -4.850 1.00 42.22 H new ATOM 0 HB VAL A 89 -6.225 18.863 -4.297 1.00 1.40 H new ATOM 0 HG11 VAL A 89 -6.373 19.949 -6.500 1.00 25.12 H new ATOM 0 HG12 VAL A 89 -6.487 18.177 -6.627 1.00 25.12 H new ATOM 0 HG13 VAL A 89 -7.953 19.176 -6.771 1.00 25.12 H new ATOM 0 HG21 VAL A 89 -7.207 21.112 -4.486 1.00 55.23 H new ATOM 0 HG22 VAL A 89 -8.822 20.387 -4.673 1.00 55.23 H new ATOM 0 HG23 VAL A 89 -7.928 20.186 -3.147 1.00 55.23 H new ATOM 1380 N PHE A 90 -6.526 15.897 -4.260 1.00 53.32 N ATOM 1381 CA PHE A 90 -5.841 14.692 -4.714 1.00 4.25 C ATOM 1382 C PHE A 90 -6.720 13.460 -4.518 1.00 4.31 C ATOM 1383 O PHE A 90 -6.653 12.507 -5.294 1.00 5.52 O ATOM 1384 CB PHE A 90 -4.521 14.516 -3.958 1.00 35.22 C ATOM 1385 CG PHE A 90 -3.750 13.297 -4.377 1.00 61.43 C ATOM 1386 CD1 PHE A 90 -2.988 13.307 -5.534 1.00 34.13 C ATOM 1387 CD2 PHE A 90 -3.786 12.142 -3.612 1.00 30.24 C ATOM 1388 CE1 PHE A 90 -2.277 12.186 -5.922 1.00 63.11 C ATOM 1389 CE2 PHE A 90 -3.076 11.020 -3.995 1.00 3.34 C ATOM 1390 CZ PHE A 90 -2.321 11.042 -5.151 1.00 14.12 C ATOM 0 H PHE A 90 -6.252 16.214 -3.330 1.00 53.32 H new ATOM 0 HA PHE A 90 -5.632 14.802 -5.778 1.00 4.25 H new ATOM 0 HB2 PHE A 90 -3.902 15.399 -4.113 1.00 35.22 H new ATOM 0 HB3 PHE A 90 -4.728 14.456 -2.890 1.00 35.22 H new ATOM 0 HD1 PHE A 90 -2.949 14.200 -6.140 1.00 34.13 H new ATOM 0 HD2 PHE A 90 -4.375 12.119 -2.707 1.00 30.24 H new ATOM 0 HE1 PHE A 90 -1.688 12.206 -6.827 1.00 63.11 H new ATOM 0 HE2 PHE A 90 -3.112 10.126 -3.390 1.00 3.34 H new ATOM 0 HZ PHE A 90 -1.766 10.166 -5.451 1.00 14.12 H new ATOM 1400 N ALA A 91 -7.543 13.487 -3.475 1.00 4.21 N ATOM 1401 CA ALA A 91 -8.436 12.375 -3.176 1.00 14.05 C ATOM 1402 C ALA A 91 -9.544 12.268 -4.218 1.00 51.50 C ATOM 1403 O ALA A 91 -9.818 11.186 -4.739 1.00 44.34 O ATOM 1404 CB ALA A 91 -9.030 12.532 -1.784 1.00 70.42 C ATOM 0 H ALA A 91 -7.610 14.268 -2.822 1.00 4.21 H new ATOM 0 HA ALA A 91 -7.853 11.455 -3.206 1.00 14.05 H new ATOM 0 HB1 ALA A 91 -9.695 11.694 -1.575 1.00 70.42 H new ATOM 0 HB2 ALA A 91 -8.228 12.551 -1.046 1.00 70.42 H new ATOM 0 HB3 ALA A 91 -9.593 13.464 -1.732 1.00 70.42 H new ATOM 1410 N VAL A 92 -10.181 13.396 -4.517 1.00 14.34 N ATOM 1411 CA VAL A 92 -11.260 13.427 -5.497 1.00 64.35 C ATOM 1412 C VAL A 92 -10.724 13.250 -6.912 1.00 30.54 C ATOM 1413 O VAL A 92 -11.213 12.416 -7.672 1.00 30.11 O ATOM 1414 CB VAL A 92 -12.048 14.750 -5.420 1.00 34.25 C ATOM 1415 CG1 VAL A 92 -13.277 14.691 -6.315 1.00 60.55 C ATOM 1416 CG2 VAL A 92 -12.439 15.054 -3.982 1.00 24.33 C ATOM 0 H VAL A 92 -9.968 14.300 -4.095 1.00 14.34 H new ATOM 0 HA VAL A 92 -11.928 12.599 -5.259 1.00 64.35 H new ATOM 0 HB VAL A 92 -11.407 15.557 -5.776 1.00 34.25 H new ATOM 0 HG11 VAL A 92 -13.821 15.633 -6.248 1.00 60.55 H new ATOM 0 HG12 VAL A 92 -12.968 14.523 -7.347 1.00 60.55 H new ATOM 0 HG13 VAL A 92 -13.923 13.875 -5.992 1.00 60.55 H new ATOM 0 HG21 VAL A 92 -12.994 15.991 -3.946 1.00 24.33 H new ATOM 0 HG22 VAL A 92 -13.063 14.248 -3.596 1.00 24.33 H new ATOM 0 HG23 VAL A 92 -11.540 15.141 -3.371 1.00 24.33 H new ATOM 1426 N ALA A 93 -9.713 14.040 -7.260 1.00 24.21 N ATOM 1427 CA ALA A 93 -9.107 13.969 -8.583 1.00 71.10 C ATOM 1428 C ALA A 93 -8.278 12.699 -8.739 1.00 15.31 C ATOM 1429 O ALA A 93 -7.901 12.325 -9.849 1.00 21.34 O ATOM 1430 CB ALA A 93 -8.245 15.197 -8.837 1.00 0.30 C ATOM 0 H ALA A 93 -9.297 14.737 -6.643 1.00 24.21 H new ATOM 0 HA ALA A 93 -9.909 13.943 -9.321 1.00 71.10 H new ATOM 0 HB1 ALA A 93 -7.799 15.130 -9.829 1.00 0.30 H new ATOM 0 HB2 ALA A 93 -8.862 16.093 -8.777 1.00 0.30 H new ATOM 0 HB3 ALA A 93 -7.456 15.249 -8.087 1.00 0.30 H new ATOM 1436 N GLY A 94 -7.998 12.038 -7.619 1.00 73.34 N ATOM 1437 CA GLY A 94 -7.216 10.817 -7.655 1.00 30.24 C ATOM 1438 C GLY A 94 -8.073 9.574 -7.517 1.00 73.33 C ATOM 1439 O GLY A 94 -8.343 8.885 -8.502 1.00 44.44 O ATOM 0 H GLY A 94 -8.299 12.327 -6.688 1.00 73.34 H new ATOM 0 HA2 GLY A 94 -6.663 10.771 -8.593 1.00 30.24 H new ATOM 0 HA3 GLY A 94 -6.479 10.837 -6.852 1.00 30.24 H new ATOM 1443 N LEU A 95 -8.500 9.285 -6.293 1.00 12.11 N ATOM 1444 CA LEU A 95 -9.332 8.116 -6.029 1.00 3.13 C ATOM 1445 C LEU A 95 -10.635 8.184 -6.817 1.00 71.35 C ATOM 1446 O LEU A 95 -11.015 7.229 -7.494 1.00 61.14 O ATOM 1447 CB LEU A 95 -9.632 8.006 -4.533 1.00 1.24 C ATOM 1448 CG LEU A 95 -8.492 7.483 -3.657 1.00 44.30 C ATOM 1449 CD1 LEU A 95 -8.011 6.131 -4.158 1.00 50.20 C ATOM 1450 CD2 LEU A 95 -7.345 8.481 -3.623 1.00 64.53 C ATOM 0 H LEU A 95 -8.284 9.844 -5.468 1.00 12.11 H new ATOM 0 HA LEU A 95 -8.782 7.231 -6.349 1.00 3.13 H new ATOM 0 HB2 LEU A 95 -9.922 8.991 -4.167 1.00 1.24 H new ATOM 0 HB3 LEU A 95 -10.494 7.351 -4.403 1.00 1.24 H new ATOM 0 HG LEU A 95 -8.868 7.358 -2.642 1.00 44.30 H new ATOM 0 HD11 LEU A 95 -7.200 5.775 -3.523 1.00 50.20 H new ATOM 0 HD12 LEU A 95 -8.835 5.418 -4.129 1.00 50.20 H new ATOM 0 HD13 LEU A 95 -7.653 6.229 -5.183 1.00 50.20 H new ATOM 0 HD21 LEU A 95 -6.543 8.092 -2.995 1.00 64.53 H new ATOM 0 HD22 LEU A 95 -6.970 8.639 -4.634 1.00 64.53 H new ATOM 0 HD23 LEU A 95 -7.699 9.428 -3.215 1.00 64.53 H new ATOM 1462 N LEU A 96 -11.316 9.322 -6.726 1.00 42.41 N ATOM 1463 CA LEU A 96 -12.577 9.517 -7.431 1.00 71.32 C ATOM 1464 C LEU A 96 -12.336 9.782 -8.914 1.00 10.14 C ATOM 1465 O LEU A 96 -13.278 9.873 -9.700 1.00 11.24 O ATOM 1466 CB LEU A 96 -13.355 10.682 -6.815 1.00 20.03 C ATOM 1467 CG LEU A 96 -14.824 10.410 -6.489 1.00 10.12 C ATOM 1468 CD1 LEU A 96 -15.390 11.515 -5.611 1.00 63.51 C ATOM 1469 CD2 LEU A 96 -15.637 10.273 -7.768 1.00 54.04 C ATOM 0 H LEU A 96 -11.015 10.123 -6.171 1.00 42.41 H new ATOM 0 HA LEU A 96 -13.164 8.604 -7.333 1.00 71.32 H new ATOM 0 HB2 LEU A 96 -12.850 10.985 -5.898 1.00 20.03 H new ATOM 0 HB3 LEU A 96 -13.306 11.528 -7.500 1.00 20.03 H new ATOM 0 HG LEU A 96 -14.886 9.471 -5.940 1.00 10.12 H new ATOM 0 HD11 LEU A 96 -16.436 11.304 -5.390 1.00 63.51 H new ATOM 0 HD12 LEU A 96 -14.825 11.565 -4.680 1.00 63.51 H new ATOM 0 HD13 LEU A 96 -15.315 12.469 -6.133 1.00 63.51 H new ATOM 0 HD21 LEU A 96 -16.680 10.080 -7.517 1.00 54.04 H new ATOM 0 HD22 LEU A 96 -15.567 11.196 -8.344 1.00 54.04 H new ATOM 0 HD23 LEU A 96 -15.247 9.445 -8.360 1.00 54.04 H new ATOM 1481 N ASN A 97 -11.066 9.903 -9.290 1.00 53.31 N ATOM 1482 CA ASN A 97 -10.701 10.155 -10.679 1.00 12.13 C ATOM 1483 C ASN A 97 -11.472 11.347 -11.236 1.00 73.32 C ATOM 1484 O ASN A 97 -11.756 11.410 -12.432 1.00 54.14 O ATOM 1485 CB ASN A 97 -10.970 8.914 -11.532 1.00 15.11 C ATOM 1486 CG ASN A 97 -10.120 8.880 -12.787 1.00 52.30 C ATOM 1487 OD1 ASN A 97 -8.956 9.279 -12.772 1.00 33.52 O ATOM 1488 ND2 ASN A 97 -10.700 8.400 -13.882 1.00 63.11 N ATOM 0 H ASN A 97 -10.273 9.831 -8.652 1.00 53.31 H new ATOM 0 HA ASN A 97 -9.636 10.386 -10.713 1.00 12.13 H new ATOM 0 HB2 ASN A 97 -10.775 8.020 -10.940 1.00 15.11 H new ATOM 0 HB3 ASN A 97 -12.024 8.889 -11.809 1.00 15.11 H new ATOM 0 HD21 ASN A 97 -10.177 8.351 -14.756 1.00 63.11 H new ATOM 0 HD22 ASN A 97 -11.668 8.080 -13.848 1.00 63.11 H new ATOM 1495 N MET A 98 -11.807 12.290 -10.362 1.00 2.22 N ATOM 1496 CA MET A 98 -12.543 13.481 -10.768 1.00 51.03 C ATOM 1497 C MET A 98 -11.616 14.493 -11.435 1.00 0.43 C ATOM 1498 O MET A 98 -10.409 14.272 -11.536 1.00 33.32 O ATOM 1499 CB MET A 98 -13.229 14.120 -9.557 1.00 34.41 C ATOM 1500 CG MET A 98 -14.616 14.662 -9.861 1.00 51.20 C ATOM 1501 SD MET A 98 -15.896 13.904 -8.843 1.00 23.00 S ATOM 1502 CE MET A 98 -17.322 14.063 -9.915 1.00 24.34 C ATOM 0 H MET A 98 -11.580 12.252 -9.368 1.00 2.22 H new ATOM 0 HA MET A 98 -13.302 13.180 -11.490 1.00 51.03 H new ATOM 0 HB2 MET A 98 -13.303 13.381 -8.760 1.00 34.41 H new ATOM 0 HB3 MET A 98 -12.605 14.931 -9.182 1.00 34.41 H new ATOM 0 HG2 MET A 98 -14.623 15.741 -9.703 1.00 51.20 H new ATOM 0 HG3 MET A 98 -14.846 14.492 -10.913 1.00 51.20 H new ATOM 0 HE1 MET A 98 -18.197 13.638 -9.423 1.00 24.34 H new ATOM 0 HE2 MET A 98 -17.502 15.117 -10.127 1.00 24.34 H new ATOM 0 HE3 MET A 98 -17.137 13.531 -10.848 1.00 24.34 H new ATOM 1512 N THR A 99 -12.188 15.604 -11.887 1.00 74.04 N ATOM 1513 CA THR A 99 -11.414 16.648 -12.546 1.00 42.45 C ATOM 1514 C THR A 99 -11.764 18.025 -11.991 1.00 14.10 C ATOM 1515 O THR A 99 -12.301 18.874 -12.703 1.00 73.42 O ATOM 1516 CB THR A 99 -11.647 16.647 -14.068 1.00 74.21 C ATOM 1517 OG1 THR A 99 -11.815 15.304 -14.537 1.00 41.41 O ATOM 1518 CG2 THR A 99 -10.482 17.300 -14.796 1.00 51.32 C ATOM 0 H THR A 99 -13.185 15.804 -11.809 1.00 74.04 H new ATOM 0 HA THR A 99 -10.364 16.434 -12.347 1.00 42.45 H new ATOM 0 HB THR A 99 -12.551 17.220 -14.274 1.00 74.21 H new ATOM 0 HG1 THR A 99 -11.964 15.312 -15.506 1.00 41.41 H new ATOM 0 HG21 THR A 99 -10.670 17.287 -15.870 1.00 51.32 H new ATOM 0 HG22 THR A 99 -10.374 18.331 -14.459 1.00 51.32 H new ATOM 0 HG23 THR A 99 -9.565 16.751 -14.582 1.00 51.32 H new ATOM 1526 N VAL A 100 -11.457 18.240 -10.716 1.00 2.12 N ATOM 1527 CA VAL A 100 -11.737 19.515 -10.067 1.00 11.44 C ATOM 1528 C VAL A 100 -11.187 20.680 -10.882 1.00 41.33 C ATOM 1529 O VAL A 100 -10.104 20.591 -11.458 1.00 4.33 O ATOM 1530 CB VAL A 100 -11.138 19.566 -8.649 1.00 72.01 C ATOM 1531 CG1 VAL A 100 -11.961 18.720 -7.690 1.00 44.31 C ATOM 1532 CG2 VAL A 100 -9.687 19.108 -8.667 1.00 51.51 C ATOM 0 H VAL A 100 -11.014 17.548 -10.112 1.00 2.12 H new ATOM 0 HA VAL A 100 -12.821 19.604 -9.999 1.00 11.44 H new ATOM 0 HB VAL A 100 -11.165 20.598 -8.299 1.00 72.01 H new ATOM 0 HG11 VAL A 100 -11.522 18.769 -6.693 1.00 44.31 H new ATOM 0 HG12 VAL A 100 -12.982 19.099 -7.656 1.00 44.31 H new ATOM 0 HG13 VAL A 100 -11.969 17.685 -8.033 1.00 44.31 H new ATOM 0 HG21 VAL A 100 -9.280 19.150 -7.657 1.00 51.51 H new ATOM 0 HG22 VAL A 100 -9.633 18.084 -9.037 1.00 51.51 H new ATOM 0 HG23 VAL A 100 -9.107 19.761 -9.320 1.00 51.51 H new ATOM 1542 N SER A 101 -11.943 21.773 -10.925 1.00 31.34 N ATOM 1543 CA SER A 101 -11.533 22.956 -11.672 1.00 33.30 C ATOM 1544 C SER A 101 -10.497 23.759 -10.893 1.00 25.31 C ATOM 1545 O SER A 101 -9.545 24.291 -11.465 1.00 73.34 O ATOM 1546 CB SER A 101 -12.746 23.834 -11.986 1.00 3.42 C ATOM 1547 OG SER A 101 -13.572 23.232 -12.967 1.00 2.44 O ATOM 0 H SER A 101 -12.842 21.863 -10.452 1.00 31.34 H new ATOM 0 HA SER A 101 -11.082 22.625 -12.608 1.00 33.30 H new ATOM 0 HB2 SER A 101 -13.321 24.003 -11.076 1.00 3.42 H new ATOM 0 HB3 SER A 101 -12.411 24.810 -12.337 1.00 3.42 H new ATOM 0 HG SER A 101 -14.341 23.812 -13.148 1.00 2.44 H new ATOM 1553 N THR A 102 -10.689 23.844 -9.579 1.00 74.30 N ATOM 1554 CA THR A 102 -9.774 24.583 -8.719 1.00 72.50 C ATOM 1555 C THR A 102 -9.634 23.910 -7.359 1.00 23.30 C ATOM 1556 O THR A 102 -10.503 23.146 -6.942 1.00 4.42 O ATOM 1557 CB THR A 102 -10.245 26.035 -8.514 1.00 20.33 C ATOM 1558 OG1 THR A 102 -11.355 26.067 -7.611 1.00 73.55 O ATOM 1559 CG2 THR A 102 -10.643 26.667 -9.839 1.00 55.24 C ATOM 0 H THR A 102 -11.471 23.410 -9.088 1.00 74.30 H new ATOM 0 HA THR A 102 -8.806 24.590 -9.220 1.00 72.50 H new ATOM 0 HB THR A 102 -9.418 26.606 -8.092 1.00 20.33 H new ATOM 0 HG1 THR A 102 -11.647 26.994 -7.485 1.00 73.55 H new ATOM 0 HG21 THR A 102 -10.972 27.692 -9.669 1.00 55.24 H new ATOM 0 HG22 THR A 102 -9.787 26.668 -10.513 1.00 55.24 H new ATOM 0 HG23 THR A 102 -11.456 26.094 -10.286 1.00 55.24 H new ATOM 1567 N ALA A 103 -8.534 24.199 -6.671 1.00 43.13 N ATOM 1568 CA ALA A 103 -8.282 23.624 -5.356 1.00 3.14 C ATOM 1569 C ALA A 103 -9.467 23.845 -4.423 1.00 53.41 C ATOM 1570 O ALA A 103 -9.849 22.952 -3.667 1.00 35.01 O ATOM 1571 CB ALA A 103 -7.017 24.217 -4.753 1.00 71.50 C ATOM 0 H ALA A 103 -7.803 24.828 -7.003 1.00 43.13 H new ATOM 0 HA ALA A 103 -8.144 22.550 -5.478 1.00 3.14 H new ATOM 0 HB1 ALA A 103 -6.842 23.778 -3.771 1.00 71.50 H new ATOM 0 HB2 ALA A 103 -6.169 24.002 -5.403 1.00 71.50 H new ATOM 0 HB3 ALA A 103 -7.133 25.296 -4.653 1.00 71.50 H new ATOM 1577 N ALA A 104 -10.045 25.039 -4.482 1.00 51.44 N ATOM 1578 CA ALA A 104 -11.189 25.376 -3.643 1.00 42.22 C ATOM 1579 C ALA A 104 -12.402 24.523 -4.000 1.00 51.11 C ATOM 1580 O ALA A 104 -13.127 24.060 -3.120 1.00 74.42 O ATOM 1581 CB ALA A 104 -11.524 26.855 -3.776 1.00 73.01 C ATOM 0 H ALA A 104 -9.741 25.790 -5.102 1.00 51.44 H new ATOM 0 HA ALA A 104 -10.922 25.167 -2.607 1.00 42.22 H new ATOM 0 HB1 ALA A 104 -12.380 27.092 -3.144 1.00 73.01 H new ATOM 0 HB2 ALA A 104 -10.667 27.452 -3.465 1.00 73.01 H new ATOM 0 HB3 ALA A 104 -11.766 27.081 -4.814 1.00 73.01 H new ATOM 1587 N ALA A 105 -12.617 24.321 -5.296 1.00 52.00 N ATOM 1588 CA ALA A 105 -13.741 23.523 -5.768 1.00 52.45 C ATOM 1589 C ALA A 105 -13.702 22.116 -5.180 1.00 45.31 C ATOM 1590 O ALA A 105 -14.731 21.571 -4.784 1.00 1.41 O ATOM 1591 CB ALA A 105 -13.743 23.461 -7.289 1.00 21.20 C ATOM 0 H ALA A 105 -12.027 24.699 -6.037 1.00 52.00 H new ATOM 0 HA ALA A 105 -14.661 24.003 -5.433 1.00 52.45 H new ATOM 0 HB1 ALA A 105 -14.588 22.862 -7.628 1.00 21.20 H new ATOM 0 HB2 ALA A 105 -13.828 24.469 -7.694 1.00 21.20 H new ATOM 0 HB3 ALA A 105 -12.814 23.008 -7.636 1.00 21.20 H new ATOM 1597 N ALA A 106 -12.507 21.536 -5.127 1.00 0.50 N ATOM 1598 CA ALA A 106 -12.335 20.193 -4.585 1.00 31.42 C ATOM 1599 C ALA A 106 -12.659 20.155 -3.096 1.00 72.34 C ATOM 1600 O ALA A 106 -13.404 19.291 -2.636 1.00 42.01 O ATOM 1601 CB ALA A 106 -10.915 19.704 -4.831 1.00 72.11 C ATOM 0 H ALA A 106 -11.645 21.974 -5.452 1.00 0.50 H new ATOM 0 HA ALA A 106 -13.031 19.529 -5.097 1.00 31.42 H new ATOM 0 HB1 ALA A 106 -10.800 18.700 -4.422 1.00 72.11 H new ATOM 0 HB2 ALA A 106 -10.718 19.684 -5.903 1.00 72.11 H new ATOM 0 HB3 ALA A 106 -10.209 20.377 -4.345 1.00 72.11 H new ATOM 1607 N GLU A 107 -12.094 21.099 -2.348 1.00 33.13 N ATOM 1608 CA GLU A 107 -12.323 21.171 -0.910 1.00 52.43 C ATOM 1609 C GLU A 107 -13.795 21.432 -0.606 1.00 43.21 C ATOM 1610 O GLU A 107 -14.350 20.886 0.347 1.00 73.22 O ATOM 1611 CB GLU A 107 -11.459 22.271 -0.288 1.00 14.41 C ATOM 1612 CG GLU A 107 -11.797 22.561 1.164 1.00 45.10 C ATOM 1613 CD GLU A 107 -12.379 23.947 1.363 1.00 62.13 C ATOM 1614 OE1 GLU A 107 -11.594 24.916 1.430 1.00 53.23 O ATOM 1615 OE2 GLU A 107 -13.620 24.063 1.451 1.00 2.14 O ATOM 0 H GLU A 107 -11.476 21.823 -2.714 1.00 33.13 H new ATOM 0 HA GLU A 107 -12.045 20.211 -0.475 1.00 52.43 H new ATOM 0 HB2 GLU A 107 -10.411 21.981 -0.357 1.00 14.41 H new ATOM 0 HB3 GLU A 107 -11.576 23.186 -0.869 1.00 14.41 H new ATOM 0 HG2 GLU A 107 -12.509 21.817 1.523 1.00 45.10 H new ATOM 0 HG3 GLU A 107 -10.897 22.459 1.770 1.00 45.10 H new ATOM 1622 N ASN A 108 -14.422 22.273 -1.423 1.00 75.33 N ATOM 1623 CA ASN A 108 -15.829 22.608 -1.242 1.00 52.44 C ATOM 1624 C ASN A 108 -16.708 21.370 -1.390 1.00 34.24 C ATOM 1625 O ASN A 108 -17.657 21.175 -0.632 1.00 2.43 O ATOM 1626 CB ASN A 108 -16.257 23.674 -2.253 1.00 32.23 C ATOM 1627 CG ASN A 108 -17.171 24.718 -1.643 1.00 41.44 C ATOM 1628 OD1 ASN A 108 -16.742 25.532 -0.824 1.00 54.14 O ATOM 1629 ND2 ASN A 108 -18.438 24.699 -2.039 1.00 41.41 N ATOM 0 H ASN A 108 -13.977 22.735 -2.217 1.00 75.33 H new ATOM 0 HA ASN A 108 -15.954 23.002 -0.234 1.00 52.44 H new ATOM 0 HB2 ASN A 108 -15.371 24.163 -2.658 1.00 32.23 H new ATOM 0 HB3 ASN A 108 -16.766 23.194 -3.089 1.00 32.23 H new ATOM 0 HD21 ASN A 108 -19.100 25.377 -1.662 1.00 41.41 H new ATOM 0 HD22 ASN A 108 -18.749 24.006 -2.720 1.00 41.41 H new ATOM 1636 N MET A 109 -16.383 20.535 -2.373 1.00 44.43 N ATOM 1637 CA MET A 109 -17.142 19.313 -2.619 1.00 23.52 C ATOM 1638 C MET A 109 -16.906 18.293 -1.510 1.00 64.42 C ATOM 1639 O MET A 109 -17.841 17.641 -1.045 1.00 23.35 O ATOM 1640 CB MET A 109 -16.753 18.711 -3.971 1.00 42.15 C ATOM 1641 CG MET A 109 -17.876 17.929 -4.632 1.00 72.14 C ATOM 1642 SD MET A 109 -18.041 16.259 -3.972 1.00 74.42 S ATOM 1643 CE MET A 109 -16.750 15.409 -4.878 1.00 13.23 C ATOM 0 H MET A 109 -15.601 20.682 -3.011 1.00 44.43 H new ATOM 0 HA MET A 109 -18.201 19.569 -2.633 1.00 23.52 H new ATOM 0 HB2 MET A 109 -16.437 19.512 -4.639 1.00 42.15 H new ATOM 0 HB3 MET A 109 -15.895 18.053 -3.833 1.00 42.15 H new ATOM 0 HG2 MET A 109 -18.816 18.464 -4.495 1.00 72.14 H new ATOM 0 HG3 MET A 109 -17.693 17.875 -5.705 1.00 72.14 H new ATOM 0 HE1 MET A 109 -16.726 14.361 -4.579 1.00 13.23 H new ATOM 0 HE2 MET A 109 -16.951 15.477 -5.947 1.00 13.23 H new ATOM 0 HE3 MET A 109 -15.787 15.871 -4.659 1.00 13.23 H new ATOM 1653 N TYR A 110 -15.653 18.163 -1.089 1.00 72.21 N ATOM 1654 CA TYR A 110 -15.295 17.220 -0.036 1.00 63.10 C ATOM 1655 C TYR A 110 -16.127 17.465 1.219 1.00 3.04 C ATOM 1656 O TYR A 110 -16.628 16.525 1.839 1.00 34.11 O ATOM 1657 CB TYR A 110 -13.806 17.336 0.296 1.00 23.31 C ATOM 1658 CG TYR A 110 -13.145 16.006 0.583 1.00 73.41 C ATOM 1659 CD1 TYR A 110 -12.785 15.150 -0.451 1.00 41.25 C ATOM 1660 CD2 TYR A 110 -12.881 15.606 1.886 1.00 3.13 C ATOM 1661 CE1 TYR A 110 -12.181 13.934 -0.195 1.00 64.14 C ATOM 1662 CE2 TYR A 110 -12.276 14.393 2.153 1.00 32.20 C ATOM 1663 CZ TYR A 110 -11.928 13.560 1.109 1.00 51.12 C ATOM 1664 OH TYR A 110 -11.328 12.350 1.370 1.00 22.33 O ATOM 0 H TYR A 110 -14.868 18.698 -1.461 1.00 72.21 H new ATOM 0 HA TYR A 110 -15.503 16.213 -0.398 1.00 63.10 H new ATOM 0 HB2 TYR A 110 -13.293 17.815 -0.538 1.00 23.31 H new ATOM 0 HB3 TYR A 110 -13.685 17.987 1.162 1.00 23.31 H new ATOM 0 HD1 TYR A 110 -12.981 15.440 -1.473 1.00 41.25 H new ATOM 0 HD2 TYR A 110 -13.153 16.255 2.705 1.00 3.13 H new ATOM 0 HE1 TYR A 110 -11.909 13.280 -1.010 1.00 64.14 H new ATOM 0 HE2 TYR A 110 -12.077 14.098 3.173 1.00 32.20 H new ATOM 0 HH TYR A 110 -10.740 12.109 0.624 1.00 22.33 H new ATOM 1674 N SER A 111 -16.271 18.733 1.589 1.00 32.42 N ATOM 1675 CA SER A 111 -17.040 19.102 2.772 1.00 40.22 C ATOM 1676 C SER A 111 -18.533 19.144 2.458 1.00 12.03 C ATOM 1677 O SER A 111 -19.364 18.811 3.303 1.00 11.03 O ATOM 1678 CB SER A 111 -16.581 20.462 3.301 1.00 73.43 C ATOM 1679 OG SER A 111 -15.216 20.692 2.998 1.00 22.22 O ATOM 0 H SER A 111 -15.865 19.523 1.087 1.00 32.42 H new ATOM 0 HA SER A 111 -16.868 18.345 3.537 1.00 40.22 H new ATOM 0 HB2 SER A 111 -17.192 21.251 2.863 1.00 73.43 H new ATOM 0 HB3 SER A 111 -16.730 20.505 4.380 1.00 73.43 H new ATOM 0 HG SER A 111 -15.121 20.887 2.042 1.00 22.22 H new ATOM 1685 N GLN A 112 -18.864 19.555 1.238 1.00 31.14 N ATOM 1686 CA GLN A 112 -20.256 19.641 0.813 1.00 2.44 C ATOM 1687 C GLN A 112 -20.968 18.306 1.009 1.00 44.12 C ATOM 1688 O GLN A 112 -22.152 18.267 1.343 1.00 22.02 O ATOM 1689 CB GLN A 112 -20.337 20.065 -0.654 1.00 54.11 C ATOM 1690 CG GLN A 112 -21.745 20.011 -1.225 1.00 34.41 C ATOM 1691 CD GLN A 112 -21.879 20.786 -2.521 1.00 64.13 C ATOM 1692 OE1 GLN A 112 -21.896 22.018 -2.522 1.00 44.43 O ATOM 1693 NE2 GLN A 112 -21.974 20.069 -3.634 1.00 1.11 N ATOM 0 H GLN A 112 -18.188 19.833 0.527 1.00 31.14 H new ATOM 0 HA GLN A 112 -20.753 20.391 1.429 1.00 2.44 H new ATOM 0 HB2 GLN A 112 -19.953 21.080 -0.752 1.00 54.11 H new ATOM 0 HB3 GLN A 112 -19.688 19.420 -1.247 1.00 54.11 H new ATOM 0 HG2 GLN A 112 -22.024 18.971 -1.397 1.00 34.41 H new ATOM 0 HG3 GLN A 112 -22.446 20.412 -0.492 1.00 34.41 H new ATOM 0 HE21 GLN A 112 -21.956 19.050 -3.587 1.00 1.11 H new ATOM 0 HE22 GLN A 112 -22.065 20.537 -4.536 1.00 1.11 H new ATOM 1702 N MET A 113 -20.238 17.215 0.798 1.00 51.04 N ATOM 1703 CA MET A 113 -20.802 15.879 0.952 1.00 4.32 C ATOM 1704 C MET A 113 -20.744 15.429 2.409 1.00 63.42 C ATOM 1705 O MET A 113 -21.524 14.580 2.839 1.00 34.43 O ATOM 1706 CB MET A 113 -20.051 14.881 0.069 1.00 23.12 C ATOM 1707 CG MET A 113 -20.927 14.220 -0.982 1.00 62.14 C ATOM 1708 SD MET A 113 -20.663 12.440 -1.088 1.00 75.54 S ATOM 1709 CE MET A 113 -19.830 12.315 -2.670 1.00 64.11 C ATOM 0 H MET A 113 -19.257 17.230 0.520 1.00 51.04 H new ATOM 0 HA MET A 113 -21.846 15.915 0.642 1.00 4.32 H new ATOM 0 HB2 MET A 113 -19.228 15.395 -0.427 1.00 23.12 H new ATOM 0 HB3 MET A 113 -19.611 14.109 0.701 1.00 23.12 H new ATOM 0 HG2 MET A 113 -21.974 14.415 -0.751 1.00 62.14 H new ATOM 0 HG3 MET A 113 -20.726 14.672 -1.953 1.00 62.14 H new ATOM 0 HE1 MET A 113 -19.599 11.270 -2.878 1.00 64.11 H new ATOM 0 HE2 MET A 113 -20.478 12.707 -3.454 1.00 64.11 H new ATOM 0 HE3 MET A 113 -18.905 12.892 -2.641 1.00 64.11 H new ATOM 1719 N GLY A 114 -19.816 16.007 3.166 1.00 3.13 N ATOM 1720 CA GLY A 114 -19.674 15.653 4.566 1.00 14.24 C ATOM 1721 C GLY A 114 -18.441 14.812 4.829 1.00 5.34 C ATOM 1722 O GLY A 114 -18.401 14.037 5.786 1.00 41.51 O ATOM 0 H GLY A 114 -19.160 16.714 2.834 1.00 3.13 H new ATOM 0 HA2 GLY A 114 -19.624 16.563 5.164 1.00 14.24 H new ATOM 0 HA3 GLY A 114 -20.559 15.106 4.891 1.00 14.24 H new ATOM 1726 N LEU A 115 -17.432 14.962 3.979 1.00 71.40 N ATOM 1727 CA LEU A 115 -16.191 14.208 4.123 1.00 64.45 C ATOM 1728 C LEU A 115 -15.144 15.023 4.878 1.00 15.45 C ATOM 1729 O LEU A 115 -14.295 14.466 5.576 1.00 53.23 O ATOM 1730 CB LEU A 115 -15.650 13.810 2.749 1.00 65.32 C ATOM 1731 CG LEU A 115 -16.646 13.135 1.806 1.00 3.13 C ATOM 1732 CD1 LEU A 115 -16.805 13.944 0.529 1.00 32.44 C ATOM 1733 CD2 LEU A 115 -16.200 11.715 1.488 1.00 54.11 C ATOM 0 H LEU A 115 -17.448 15.599 3.182 1.00 71.40 H new ATOM 0 HA LEU A 115 -16.407 13.306 4.696 1.00 64.45 H new ATOM 0 HB2 LEU A 115 -15.265 14.704 2.259 1.00 65.32 H new ATOM 0 HB3 LEU A 115 -14.805 13.137 2.894 1.00 65.32 H new ATOM 0 HG LEU A 115 -17.614 13.088 2.304 1.00 3.13 H new ATOM 0 HD11 LEU A 115 -17.518 13.448 -0.130 1.00 32.44 H new ATOM 0 HD12 LEU A 115 -17.170 14.941 0.773 1.00 32.44 H new ATOM 0 HD13 LEU A 115 -15.841 14.024 0.026 1.00 32.44 H new ATOM 0 HD21 LEU A 115 -16.920 11.249 0.816 1.00 54.11 H new ATOM 0 HD22 LEU A 115 -15.221 11.740 1.010 1.00 54.11 H new ATOM 0 HD23 LEU A 115 -16.139 11.138 2.411 1.00 54.11 H new