USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 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 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 150:sc= -1.19 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -2.23 F(o=-6.7!,f=-3.4) USER MOD Set 3.1: A 17 SER OG : rot -91:sc= 1.26 USER MOD Set 3.2: A 18 ASN : amide:sc= 0 X(o=1.3,f=1) 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 180:sc= -0.414 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= -0.0522 X(o=-0.052,f=-0.052) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.4!) USER MOD Single : A 45 SER OG : rot 92:sc= 0.711 USER MOD Single : A 46 THR OG1 : rot -77:sc= 0.868 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.37) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 145:sc= -0.148 USER MOD Single : A 86 THR OG1 : rot 71:sc= 0.944 USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= -1.41 (180deg=-2.06) USER MOD Single : A 97 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.85) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 56:sc= 0.0449 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 109 MET CE :methyl -138:sc= -1.97 (180deg=-5.25!) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.738 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00903 USER MOD Single : A 112 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.42) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 2.642 3.749 -11.232 1.00 64.25 N ATOM 47 CA GLY A 6 2.068 3.259 -12.472 1.00 60.13 C ATOM 48 C GLY A 6 1.097 4.244 -13.091 1.00 22.21 C ATOM 49 O GLY A 6 1.128 5.435 -12.780 1.00 71.44 O ATOM 0 HA2 GLY A 6 2.869 3.049 -13.181 1.00 60.13 H new ATOM 0 HA3 GLY A 6 1.554 2.317 -12.283 1.00 60.13 H new ATOM 53 N ARG A 7 0.232 3.748 -13.970 1.00 72.11 N ATOM 54 CA ARG A 7 -0.750 4.595 -14.636 1.00 43.14 C ATOM 55 C ARG A 7 -1.623 5.321 -13.617 1.00 10.53 C ATOM 56 O ARG A 7 -1.913 6.508 -13.766 1.00 74.32 O ATOM 57 CB ARG A 7 -1.627 3.757 -15.569 1.00 60.14 C ATOM 58 CG ARG A 7 -2.276 2.564 -14.887 1.00 4.11 C ATOM 59 CD ARG A 7 -3.007 1.681 -15.886 1.00 41.14 C ATOM 60 NE ARG A 7 -4.407 2.067 -16.036 1.00 25.13 N ATOM 61 CZ ARG A 7 -5.325 1.886 -15.091 1.00 72.31 C ATOM 62 NH1 ARG A 7 -4.990 1.329 -13.936 1.00 72.34 N ATOM 63 NH2 ARG A 7 -6.579 2.264 -15.302 1.00 22.21 N ATOM 0 H ARG A 7 0.191 2.764 -14.237 1.00 72.11 H new ATOM 0 HA ARG A 7 -0.212 5.339 -15.223 1.00 43.14 H new ATOM 0 HB2 ARG A 7 -2.406 4.393 -15.989 1.00 60.14 H new ATOM 0 HB3 ARG A 7 -1.021 3.403 -16.403 1.00 60.14 H new ATOM 0 HG2 ARG A 7 -1.514 1.979 -14.372 1.00 4.11 H new ATOM 0 HG3 ARG A 7 -2.976 2.914 -14.128 1.00 4.11 H new ATOM 0 HD2 ARG A 7 -2.509 1.740 -16.854 1.00 41.14 H new ATOM 0 HD3 ARG A 7 -2.950 0.642 -15.561 1.00 41.14 H new ATOM 0 HE ARG A 7 -4.697 2.499 -16.913 1.00 25.13 H new ATOM 0 HH11 ARG A 7 -4.026 1.038 -13.771 1.00 72.34 H new ATOM 0 HH12 ARG A 7 -5.696 1.191 -13.213 1.00 72.34 H new ATOM 0 HH21 ARG A 7 -6.840 2.694 -16.190 1.00 22.21 H new ATOM 0 HH22 ARG A 7 -7.283 2.125 -14.577 1.00 22.21 H new ATOM 77 N ASP A 8 -2.039 4.600 -12.581 1.00 63.01 N ATOM 78 CA ASP A 8 -2.878 5.175 -11.537 1.00 22.15 C ATOM 79 C ASP A 8 -2.151 6.308 -10.818 1.00 24.30 C ATOM 80 O ASP A 8 -2.755 7.322 -10.468 1.00 2.11 O ATOM 81 CB ASP A 8 -3.288 4.098 -10.531 1.00 62.20 C ATOM 82 CG ASP A 8 -4.388 4.565 -9.599 1.00 21.44 C ATOM 83 OD1 ASP A 8 -4.602 3.910 -8.557 1.00 35.35 O ATOM 84 OD2 ASP A 8 -5.036 5.586 -9.911 1.00 10.12 O ATOM 0 H ASP A 8 -1.808 3.616 -12.442 1.00 63.01 H new ATOM 0 HA ASP A 8 -3.773 5.582 -12.008 1.00 22.15 H new ATOM 0 HB2 ASP A 8 -3.624 3.211 -11.069 1.00 62.20 H new ATOM 0 HB3 ASP A 8 -2.418 3.804 -9.943 1.00 62.20 H new ATOM 89 N TRP A 9 -0.854 6.128 -10.602 1.00 32.22 N ATOM 90 CA TRP A 9 -0.045 7.135 -9.924 1.00 52.13 C ATOM 91 C TRP A 9 0.078 8.396 -10.773 1.00 13.41 C ATOM 92 O TRP A 9 -0.312 9.483 -10.347 1.00 12.14 O ATOM 93 CB TRP A 9 1.345 6.578 -9.613 1.00 54.24 C ATOM 94 CG TRP A 9 2.104 7.397 -8.613 1.00 41.41 C ATOM 95 CD1 TRP A 9 3.369 7.892 -8.750 1.00 61.55 C ATOM 96 CD2 TRP A 9 1.645 7.814 -7.322 1.00 62.11 C ATOM 97 NE1 TRP A 9 3.725 8.593 -7.623 1.00 44.33 N ATOM 98 CE2 TRP A 9 2.683 8.560 -6.732 1.00 75.25 C ATOM 99 CE3 TRP A 9 0.458 7.631 -6.608 1.00 63.42 C ATOM 100 CZ2 TRP A 9 2.570 9.121 -5.463 1.00 43.33 C ATOM 101 CZ3 TRP A 9 0.345 8.188 -5.349 1.00 52.24 C ATOM 102 CH2 TRP A 9 1.395 8.925 -4.786 1.00 71.41 C ATOM 0 H TRP A 9 -0.339 5.295 -10.886 1.00 32.22 H new ATOM 0 HA TRP A 9 -0.542 7.395 -8.989 1.00 52.13 H new ATOM 0 HB2 TRP A 9 1.245 5.560 -9.237 1.00 54.24 H new ATOM 0 HB3 TRP A 9 1.921 6.521 -10.537 1.00 54.24 H new ATOM 0 HD1 TRP A 9 3.998 7.753 -9.617 1.00 61.55 H new ATOM 0 HE1 TRP A 9 4.619 9.062 -7.474 1.00 44.33 H new ATOM 0 HE3 TRP A 9 -0.357 7.064 -7.033 1.00 63.42 H new ATOM 0 HZ2 TRP A 9 3.379 9.690 -5.028 1.00 43.33 H new ATOM 0 HZ3 TRP A 9 -0.569 8.053 -4.789 1.00 52.24 H new ATOM 0 HH2 TRP A 9 1.276 9.347 -3.799 1.00 71.41 H new ATOM 113 N LYS A 10 0.622 8.244 -11.975 1.00 62.02 N ATOM 114 CA LYS A 10 0.795 9.369 -12.885 1.00 24.50 C ATOM 115 C LYS A 10 -0.547 10.018 -13.210 1.00 22.15 C ATOM 116 O LYS A 10 -0.611 11.201 -13.543 1.00 22.31 O ATOM 117 CB LYS A 10 1.476 8.910 -14.176 1.00 41.31 C ATOM 118 CG LYS A 10 1.871 10.052 -15.096 1.00 52.04 C ATOM 119 CD LYS A 10 3.358 10.026 -15.409 1.00 31.41 C ATOM 120 CE LYS A 10 3.659 9.150 -16.616 1.00 3.11 C ATOM 121 NZ LYS A 10 4.348 7.889 -16.227 1.00 2.53 N ATOM 0 H LYS A 10 0.951 7.351 -12.342 1.00 62.02 H new ATOM 0 HA LYS A 10 1.427 10.107 -12.391 1.00 24.50 H new ATOM 0 HB2 LYS A 10 2.366 8.335 -13.922 1.00 41.31 H new ATOM 0 HB3 LYS A 10 0.805 8.239 -14.712 1.00 41.31 H new ATOM 0 HG2 LYS A 10 1.302 9.987 -16.023 1.00 52.04 H new ATOM 0 HG3 LYS A 10 1.613 11.003 -14.629 1.00 52.04 H new ATOM 0 HD2 LYS A 10 3.709 11.041 -15.598 1.00 31.41 H new ATOM 0 HD3 LYS A 10 3.907 9.655 -14.543 1.00 31.41 H new ATOM 0 HE2 LYS A 10 2.729 8.912 -17.133 1.00 3.11 H new ATOM 0 HE3 LYS A 10 4.282 9.702 -17.319 1.00 3.11 H new ATOM 0 HZ1 LYS A 10 4.536 7.320 -17.077 1.00 2.53 H new ATOM 0 HZ2 LYS A 10 5.247 8.116 -15.756 1.00 2.53 H new ATOM 0 HZ3 LYS A 10 3.743 7.349 -15.576 1.00 2.53 H new ATOM 135 N MET A 11 -1.617 9.236 -13.109 1.00 24.30 N ATOM 136 CA MET A 11 -2.958 9.736 -13.390 1.00 30.54 C ATOM 137 C MET A 11 -3.411 10.713 -12.309 1.00 11.42 C ATOM 138 O MET A 11 -3.952 11.777 -12.609 1.00 12.15 O ATOM 139 CB MET A 11 -3.948 8.574 -13.490 1.00 60.43 C ATOM 140 CG MET A 11 -4.105 8.030 -14.901 1.00 33.21 C ATOM 141 SD MET A 11 -5.738 8.355 -15.593 1.00 30.33 S ATOM 142 CE MET A 11 -6.311 6.687 -15.906 1.00 54.51 C ATOM 0 H MET A 11 -1.582 8.254 -12.835 1.00 24.30 H new ATOM 0 HA MET A 11 -2.930 10.263 -14.344 1.00 30.54 H new ATOM 0 HB2 MET A 11 -3.618 7.769 -12.833 1.00 60.43 H new ATOM 0 HB3 MET A 11 -4.921 8.904 -13.126 1.00 60.43 H new ATOM 0 HG2 MET A 11 -3.347 8.476 -15.545 1.00 33.21 H new ATOM 0 HG3 MET A 11 -3.925 6.955 -14.894 1.00 33.21 H new ATOM 0 HE1 MET A 11 -7.312 6.721 -16.337 1.00 54.51 H new ATOM 0 HE2 MET A 11 -5.633 6.194 -16.602 1.00 54.51 H new ATOM 0 HE3 MET A 11 -6.338 6.130 -14.970 1.00 54.51 H new ATOM 152 N ALA A 12 -3.187 10.344 -11.053 1.00 12.12 N ATOM 153 CA ALA A 12 -3.570 11.189 -9.928 1.00 41.33 C ATOM 154 C ALA A 12 -2.792 12.500 -9.936 1.00 14.22 C ATOM 155 O ALA A 12 -3.352 13.567 -9.684 1.00 43.21 O ATOM 156 CB ALA A 12 -3.353 10.451 -8.616 1.00 20.24 C ATOM 0 H ALA A 12 -2.742 9.465 -10.788 1.00 12.12 H new ATOM 0 HA ALA A 12 -4.629 11.426 -10.027 1.00 41.33 H new ATOM 0 HB1 ALA A 12 -3.643 11.094 -7.785 1.00 20.24 H new ATOM 0 HB2 ALA A 12 -3.960 9.545 -8.603 1.00 20.24 H new ATOM 0 HB3 ALA A 12 -2.301 10.184 -8.518 1.00 20.24 H new ATOM 162 N ILE A 13 -1.497 12.413 -10.226 1.00 24.03 N ATOM 163 CA ILE A 13 -0.643 13.593 -10.266 1.00 53.54 C ATOM 164 C ILE A 13 -0.964 14.463 -11.476 1.00 64.14 C ATOM 165 O ILE A 13 -1.201 15.663 -11.347 1.00 21.52 O ATOM 166 CB ILE A 13 0.848 13.207 -10.306 1.00 62.20 C ATOM 167 CG1 ILE A 13 1.213 12.368 -9.080 1.00 11.11 C ATOM 168 CG2 ILE A 13 1.715 14.455 -10.379 1.00 52.42 C ATOM 169 CD1 ILE A 13 1.096 13.124 -7.774 1.00 11.20 C ATOM 0 H ILE A 13 -1.017 11.538 -10.436 1.00 24.03 H new ATOM 0 HA ILE A 13 -0.840 14.157 -9.354 1.00 53.54 H new ATOM 0 HB ILE A 13 1.030 12.609 -11.199 1.00 62.20 H new ATOM 0 HG12 ILE A 13 0.565 11.492 -9.043 1.00 11.11 H new ATOM 0 HG13 ILE A 13 2.235 12.004 -9.190 1.00 11.11 H new ATOM 0 HG21 ILE A 13 2.766 14.167 -10.407 1.00 52.42 H new ATOM 0 HG22 ILE A 13 1.469 15.017 -11.280 1.00 52.42 H new ATOM 0 HG23 ILE A 13 1.532 15.077 -9.503 1.00 52.42 H new ATOM 0 HD11 ILE A 13 1.370 12.468 -6.948 1.00 11.20 H new ATOM 0 HD12 ILE A 13 1.765 13.985 -7.791 1.00 11.20 H new ATOM 0 HD13 ILE A 13 0.069 13.465 -7.642 1.00 11.20 H new ATOM 181 N LYS A 14 -0.972 13.848 -12.655 1.00 21.05 N ATOM 182 CA LYS A 14 -1.267 14.564 -13.890 1.00 74.52 C ATOM 183 C LYS A 14 -2.616 15.270 -13.801 1.00 4.12 C ATOM 184 O LYS A 14 -2.749 16.429 -14.196 1.00 51.42 O ATOM 185 CB LYS A 14 -1.262 13.598 -15.077 1.00 31.10 C ATOM 186 CG LYS A 14 0.131 13.187 -15.521 1.00 62.11 C ATOM 187 CD LYS A 14 0.635 14.063 -16.656 1.00 12.51 C ATOM 188 CE LYS A 14 2.050 14.556 -16.392 1.00 32.31 C ATOM 189 NZ LYS A 14 2.076 15.652 -15.384 1.00 3.50 N ATOM 0 H LYS A 14 -0.777 12.855 -12.780 1.00 21.05 H new ATOM 0 HA LYS A 14 -0.492 15.316 -14.038 1.00 74.52 H new ATOM 0 HB2 LYS A 14 -1.827 12.705 -14.810 1.00 31.10 H new ATOM 0 HB3 LYS A 14 -1.779 14.064 -15.916 1.00 31.10 H new ATOM 0 HG2 LYS A 14 0.817 13.253 -14.677 1.00 62.11 H new ATOM 0 HG3 LYS A 14 0.119 12.145 -15.842 1.00 62.11 H new ATOM 0 HD2 LYS A 14 0.613 13.500 -17.589 1.00 12.51 H new ATOM 0 HD3 LYS A 14 -0.031 14.916 -16.782 1.00 12.51 H new ATOM 0 HE2 LYS A 14 2.664 13.726 -16.042 1.00 32.31 H new ATOM 0 HE3 LYS A 14 2.491 14.909 -17.324 1.00 32.31 H new ATOM 0 HZ1 LYS A 14 3.057 15.960 -15.232 1.00 3.50 H new ATOM 0 HZ2 LYS A 14 1.510 16.454 -15.728 1.00 3.50 H new ATOM 0 HZ3 LYS A 14 1.678 15.308 -14.487 1.00 3.50 H new ATOM 203 N ARG A 15 -3.614 14.566 -13.278 1.00 2.13 N ATOM 204 CA ARG A 15 -4.953 15.126 -13.136 1.00 42.54 C ATOM 205 C ARG A 15 -4.934 16.361 -12.242 1.00 35.43 C ATOM 206 O ARG A 15 -5.443 17.418 -12.616 1.00 34.41 O ATOM 207 CB ARG A 15 -5.907 14.080 -12.558 1.00 42.12 C ATOM 208 CG ARG A 15 -6.481 13.135 -13.602 1.00 2.44 C ATOM 209 CD ARG A 15 -7.884 13.549 -14.017 1.00 5.54 C ATOM 210 NE ARG A 15 -8.189 13.149 -15.387 1.00 63.43 N ATOM 211 CZ ARG A 15 -8.459 11.899 -15.746 1.00 72.20 C ATOM 212 NH1 ARG A 15 -8.461 10.932 -14.839 1.00 51.52 N ATOM 213 NH2 ARG A 15 -8.728 11.614 -17.013 1.00 52.44 N ATOM 0 H ARG A 15 -3.521 13.606 -12.945 1.00 2.13 H new ATOM 0 HA ARG A 15 -5.303 15.421 -14.125 1.00 42.54 H new ATOM 0 HB2 ARG A 15 -5.379 13.497 -11.804 1.00 42.12 H new ATOM 0 HB3 ARG A 15 -6.727 14.589 -12.051 1.00 42.12 H new ATOM 0 HG2 ARG A 15 -5.831 13.120 -14.477 1.00 2.44 H new ATOM 0 HG3 ARG A 15 -6.503 12.121 -13.203 1.00 2.44 H new ATOM 0 HD2 ARG A 15 -8.610 13.101 -13.338 1.00 5.54 H new ATOM 0 HD3 ARG A 15 -7.985 14.630 -13.924 1.00 5.54 H new ATOM 0 HE ARG A 15 -8.195 13.869 -16.109 1.00 63.43 H new ATOM 0 HH11 ARG A 15 -8.255 11.147 -13.864 1.00 51.52 H new ATOM 0 HH12 ARG A 15 -8.669 9.973 -15.117 1.00 51.52 H new ATOM 0 HH21 ARG A 15 -8.728 12.355 -17.714 1.00 52.44 H new ATOM 0 HH22 ARG A 15 -8.935 10.654 -17.287 1.00 52.44 H new ATOM 227 N CYS A 16 -4.343 16.221 -11.060 1.00 65.10 N ATOM 228 CA CYS A 16 -4.259 17.326 -10.112 1.00 12.52 C ATOM 229 C CYS A 16 -3.400 18.457 -10.668 1.00 42.15 C ATOM 230 O CYS A 16 -3.588 19.622 -10.320 1.00 10.22 O ATOM 231 CB CYS A 16 -3.682 16.840 -8.781 1.00 25.34 C ATOM 232 SG CYS A 16 -3.714 18.081 -7.465 1.00 52.14 S ATOM 0 H CYS A 16 -3.915 15.354 -10.736 1.00 65.10 H new ATOM 0 HA CYS A 16 -5.267 17.707 -9.947 1.00 12.52 H new ATOM 0 HB2 CYS A 16 -4.241 15.964 -8.453 1.00 25.34 H new ATOM 0 HB3 CYS A 16 -2.652 16.520 -8.939 1.00 25.34 H new ATOM 0 HG CYS A 16 -3.207 17.576 -6.380 1.00 52.14 H new ATOM 238 N SER A 17 -2.457 18.103 -11.536 1.00 75.20 N ATOM 239 CA SER A 17 -1.565 19.088 -12.138 1.00 75.02 C ATOM 240 C SER A 17 -2.351 20.098 -12.966 1.00 65.35 C ATOM 241 O SER A 17 -1.907 21.227 -13.176 1.00 4.14 O ATOM 242 CB SER A 17 -0.522 18.393 -13.014 1.00 61.25 C ATOM 243 OG SER A 17 -0.956 18.319 -14.362 1.00 71.02 O ATOM 0 H SER A 17 -2.291 17.143 -11.838 1.00 75.20 H new ATOM 0 HA SER A 17 -1.057 19.621 -11.335 1.00 75.02 H new ATOM 0 HB2 SER A 17 0.422 18.936 -12.962 1.00 61.25 H new ATOM 0 HB3 SER A 17 -0.334 17.389 -12.634 1.00 61.25 H new ATOM 0 HG SER A 17 -1.445 17.481 -14.503 1.00 71.02 H new ATOM 249 N ASN A 18 -3.523 19.684 -13.438 1.00 52.12 N ATOM 250 CA ASN A 18 -4.373 20.552 -14.246 1.00 1.32 C ATOM 251 C ASN A 18 -5.427 21.238 -13.382 1.00 41.42 C ATOM 252 O ASN A 18 -6.507 21.585 -13.860 1.00 75.43 O ATOM 253 CB ASN A 18 -5.052 19.746 -15.355 1.00 72.34 C ATOM 254 CG ASN A 18 -4.073 18.879 -16.123 1.00 15.42 C ATOM 255 OD1 ASN A 18 -2.929 19.271 -16.356 1.00 33.44 O ATOM 256 ND2 ASN A 18 -4.517 17.692 -16.518 1.00 40.44 N ATOM 0 H ASN A 18 -3.906 18.753 -13.275 1.00 52.12 H new ATOM 0 HA ASN A 18 -3.743 21.319 -14.697 1.00 1.32 H new ATOM 0 HB2 ASN A 18 -5.827 19.115 -14.919 1.00 72.34 H new ATOM 0 HB3 ASN A 18 -5.547 20.429 -16.045 1.00 72.34 H new ATOM 0 HD21 ASN A 18 -3.902 17.064 -17.036 1.00 40.44 H new ATOM 0 HD22 ASN A 18 -5.473 17.408 -16.303 1.00 40.44 H new ATOM 263 N VAL A 19 -5.106 21.429 -12.106 1.00 73.14 N ATOM 264 CA VAL A 19 -6.024 22.075 -11.175 1.00 73.13 C ATOM 265 C VAL A 19 -5.453 23.394 -10.667 1.00 35.44 C ATOM 266 O VAL A 19 -4.379 23.427 -10.067 1.00 31.43 O ATOM 267 CB VAL A 19 -6.335 21.165 -9.973 1.00 14.15 C ATOM 268 CG1 VAL A 19 -7.424 21.779 -9.106 1.00 61.24 C ATOM 269 CG2 VAL A 19 -6.738 19.777 -10.446 1.00 14.55 C ATOM 0 H VAL A 19 -4.217 21.146 -11.693 1.00 73.14 H new ATOM 0 HA VAL A 19 -6.946 22.269 -11.722 1.00 73.13 H new ATOM 0 HB VAL A 19 -5.433 21.070 -9.368 1.00 14.15 H new ATOM 0 HG11 VAL A 19 -7.630 21.122 -8.261 1.00 61.24 H new ATOM 0 HG12 VAL A 19 -7.092 22.750 -8.738 1.00 61.24 H new ATOM 0 HG13 VAL A 19 -8.331 21.906 -9.697 1.00 61.24 H new ATOM 0 HG21 VAL A 19 -6.954 19.147 -9.583 1.00 14.55 H new ATOM 0 HG22 VAL A 19 -7.626 19.850 -11.074 1.00 14.55 H new ATOM 0 HG23 VAL A 19 -5.923 19.338 -11.021 1.00 14.55 H new ATOM 279 N ALA A 20 -6.179 24.480 -10.912 1.00 41.01 N ATOM 280 CA ALA A 20 -5.746 25.802 -10.476 1.00 41.11 C ATOM 281 C ALA A 20 -5.594 25.858 -8.960 1.00 51.10 C ATOM 282 O ALA A 20 -6.545 25.607 -8.221 1.00 1.31 O ATOM 283 CB ALA A 20 -6.730 26.862 -10.949 1.00 63.14 C ATOM 0 H ALA A 20 -7.069 24.470 -11.410 1.00 41.01 H new ATOM 0 HA ALA A 20 -4.771 26.002 -10.920 1.00 41.11 H new ATOM 0 HB1 ALA A 20 -6.394 27.844 -10.616 1.00 63.14 H new ATOM 0 HB2 ALA A 20 -6.786 26.847 -12.037 1.00 63.14 H new ATOM 0 HB3 ALA A 20 -7.716 26.655 -10.532 1.00 63.14 H new ATOM 289 N VAL A 21 -4.391 26.189 -8.502 1.00 52.12 N ATOM 290 CA VAL A 21 -4.113 26.278 -7.074 1.00 63.22 C ATOM 291 C VAL A 21 -5.060 27.259 -6.391 1.00 65.34 C ATOM 292 O VAL A 21 -5.319 27.155 -5.193 1.00 24.15 O ATOM 293 CB VAL A 21 -2.660 26.716 -6.810 1.00 3.33 C ATOM 294 CG1 VAL A 21 -2.329 26.605 -5.330 1.00 4.12 C ATOM 295 CG2 VAL A 21 -1.695 25.887 -7.644 1.00 1.24 C ATOM 0 H VAL A 21 -3.592 26.400 -9.100 1.00 52.12 H new ATOM 0 HA VAL A 21 -4.264 25.281 -6.659 1.00 63.22 H new ATOM 0 HB VAL A 21 -2.554 27.760 -7.104 1.00 3.33 H new ATOM 0 HG11 VAL A 21 -1.299 26.919 -5.163 1.00 4.12 H new ATOM 0 HG12 VAL A 21 -3.000 27.245 -4.758 1.00 4.12 H new ATOM 0 HG13 VAL A 21 -2.451 25.571 -5.007 1.00 4.12 H new ATOM 0 HG21 VAL A 21 -0.673 26.209 -7.445 1.00 1.24 H new ATOM 0 HG22 VAL A 21 -1.801 24.834 -7.383 1.00 1.24 H new ATOM 0 HG23 VAL A 21 -1.919 26.023 -8.702 1.00 1.24 H new ATOM 375 N LYS A 28 -1.790 29.759 -11.045 1.00 65.13 N ATOM 376 CA LYS A 28 -0.988 28.566 -11.285 1.00 42.44 C ATOM 377 C LYS A 28 -1.780 27.303 -10.962 1.00 65.21 C ATOM 378 O LYS A 28 -2.946 27.372 -10.571 1.00 32.01 O ATOM 379 CB LYS A 28 0.290 28.607 -10.443 1.00 62.15 C ATOM 380 CG LYS A 28 1.517 28.090 -11.175 1.00 65.32 C ATOM 381 CD LYS A 28 2.750 28.915 -10.845 1.00 14.00 C ATOM 382 CE LYS A 28 3.859 28.689 -11.862 1.00 12.34 C ATOM 383 NZ LYS A 28 4.523 29.964 -12.251 1.00 1.41 N ATOM 0 HA LYS A 28 -0.720 28.546 -12.341 1.00 42.44 H new ATOM 0 HB2 LYS A 28 0.473 29.633 -10.125 1.00 62.15 H new ATOM 0 HB3 LYS A 28 0.140 28.015 -9.540 1.00 62.15 H new ATOM 0 HG2 LYS A 28 1.692 27.049 -10.905 1.00 65.32 H new ATOM 0 HG3 LYS A 28 1.338 28.115 -12.250 1.00 65.32 H new ATOM 0 HD2 LYS A 28 2.486 29.972 -10.821 1.00 14.00 H new ATOM 0 HD3 LYS A 28 3.109 28.653 -9.849 1.00 14.00 H new ATOM 0 HE2 LYS A 28 4.600 28.006 -11.446 1.00 12.34 H new ATOM 0 HE3 LYS A 28 3.446 28.209 -12.749 1.00 12.34 H new ATOM 0 HZ1 LYS A 28 5.272 29.768 -12.945 1.00 1.41 H new ATOM 0 HZ2 LYS A 28 3.822 30.607 -12.671 1.00 1.41 H new ATOM 0 HZ3 LYS A 28 4.940 30.410 -11.409 1.00 1.41 H new ATOM 397 N LYS A 29 -1.141 26.150 -11.127 1.00 44.03 N ATOM 398 CA LYS A 29 -1.786 24.871 -10.851 1.00 14.12 C ATOM 399 C LYS A 29 -0.900 23.995 -9.970 1.00 44.40 C ATOM 400 O LYS A 29 0.314 24.191 -9.903 1.00 3.04 O ATOM 401 CB LYS A 29 -2.102 24.143 -12.159 1.00 55.25 C ATOM 402 CG LYS A 29 -0.955 24.156 -13.156 1.00 23.44 C ATOM 403 CD LYS A 29 -1.028 25.366 -14.073 1.00 3.02 C ATOM 404 CE LYS A 29 0.346 25.973 -14.305 1.00 34.32 C ATOM 405 NZ LYS A 29 0.390 26.789 -15.550 1.00 3.03 N ATOM 0 H LYS A 29 -0.177 26.075 -11.451 1.00 44.03 H new ATOM 0 HA LYS A 29 -2.717 25.068 -10.319 1.00 14.12 H new ATOM 0 HB2 LYS A 29 -2.366 23.109 -11.935 1.00 55.25 H new ATOM 0 HB3 LYS A 29 -2.977 24.603 -12.619 1.00 55.25 H new ATOM 0 HG2 LYS A 29 -0.006 24.161 -12.620 1.00 23.44 H new ATOM 0 HG3 LYS A 29 -0.980 23.244 -13.752 1.00 23.44 H new ATOM 0 HD2 LYS A 29 -1.464 25.074 -15.028 1.00 3.02 H new ATOM 0 HD3 LYS A 29 -1.689 26.115 -13.637 1.00 3.02 H new ATOM 0 HE2 LYS A 29 0.616 26.596 -13.453 1.00 34.32 H new ATOM 0 HE3 LYS A 29 1.089 25.177 -14.366 1.00 34.32 H new ATOM 0 HZ1 LYS A 29 1.344 27.185 -15.672 1.00 3.03 H new ATOM 0 HZ2 LYS A 29 0.157 26.189 -16.367 1.00 3.03 H new ATOM 0 HZ3 LYS A 29 -0.300 27.564 -15.482 1.00 3.03 H new ATOM 419 N PHE A 30 -1.515 23.027 -9.298 1.00 61.31 N ATOM 420 CA PHE A 30 -0.782 22.120 -8.422 1.00 61.01 C ATOM 421 C PHE A 30 0.160 21.229 -9.227 1.00 24.13 C ATOM 422 O PHE A 30 0.288 21.379 -10.442 1.00 11.24 O ATOM 423 CB PHE A 30 -1.756 21.257 -7.617 1.00 54.12 C ATOM 424 CG PHE A 30 -1.343 21.065 -6.186 1.00 30.00 C ATOM 425 CD1 PHE A 30 -1.140 22.157 -5.357 1.00 11.42 C ATOM 426 CD2 PHE A 30 -1.159 19.793 -5.669 1.00 72.12 C ATOM 427 CE1 PHE A 30 -0.761 21.983 -4.039 1.00 34.00 C ATOM 428 CE2 PHE A 30 -0.780 19.613 -4.352 1.00 10.22 C ATOM 429 CZ PHE A 30 -0.580 20.709 -3.536 1.00 71.44 C ATOM 0 H PHE A 30 -2.519 22.851 -9.343 1.00 61.31 H new ATOM 0 HA PHE A 30 -0.186 22.721 -7.735 1.00 61.01 H new ATOM 0 HB2 PHE A 30 -2.744 21.717 -7.643 1.00 54.12 H new ATOM 0 HB3 PHE A 30 -1.846 20.282 -8.095 1.00 54.12 H new ATOM 0 HD1 PHE A 30 -1.279 23.155 -5.745 1.00 11.42 H new ATOM 0 HD2 PHE A 30 -1.313 18.932 -6.302 1.00 72.12 H new ATOM 0 HE1 PHE A 30 -0.607 22.842 -3.403 1.00 34.00 H new ATOM 0 HE2 PHE A 30 -0.640 18.616 -3.961 1.00 10.22 H new ATOM 0 HZ PHE A 30 -0.283 20.571 -2.507 1.00 71.44 H new ATOM 439 N GLY A 31 0.818 20.300 -8.540 1.00 32.52 N ATOM 440 CA GLY A 31 1.741 19.399 -9.206 1.00 4.35 C ATOM 441 C GLY A 31 2.268 18.321 -8.279 1.00 22.32 C ATOM 442 O GLY A 31 1.764 18.147 -7.170 1.00 70.23 O ATOM 0 H GLY A 31 0.728 20.155 -7.534 1.00 32.52 H new ATOM 0 HA2 GLY A 31 1.240 18.932 -10.054 1.00 4.35 H new ATOM 0 HA3 GLY A 31 2.578 19.971 -9.606 1.00 4.35 H new ATOM 446 N GLU A 32 3.283 17.595 -8.736 1.00 74.11 N ATOM 447 CA GLU A 32 3.877 16.527 -7.941 1.00 33.22 C ATOM 448 C GLU A 32 4.700 17.100 -6.789 1.00 11.31 C ATOM 449 O GLU A 32 4.767 16.514 -5.709 1.00 51.15 O ATOM 450 CB GLU A 32 4.758 15.636 -8.818 1.00 71.45 C ATOM 451 CG GLU A 32 4.920 14.224 -8.284 1.00 3.33 C ATOM 452 CD GLU A 32 5.796 13.361 -9.171 1.00 12.21 C ATOM 453 OE1 GLU A 32 6.991 13.199 -8.846 1.00 12.44 O ATOM 454 OE2 GLU A 32 5.288 12.848 -10.189 1.00 41.24 O ATOM 0 H GLU A 32 3.711 17.727 -9.652 1.00 74.11 H new ATOM 0 HA GLU A 32 3.068 15.927 -7.524 1.00 33.22 H new ATOM 0 HB2 GLU A 32 4.330 15.590 -9.819 1.00 71.45 H new ATOM 0 HB3 GLU A 32 5.742 16.094 -8.913 1.00 71.45 H new ATOM 0 HG2 GLU A 32 5.351 14.265 -7.284 1.00 3.33 H new ATOM 0 HG3 GLU A 32 3.938 13.761 -8.189 1.00 3.33 H new ATOM 461 N GLY A 33 5.325 18.248 -7.029 1.00 50.14 N ATOM 462 CA GLY A 33 6.136 18.880 -6.006 1.00 11.24 C ATOM 463 C GLY A 33 5.323 19.290 -4.793 1.00 63.13 C ATOM 464 O GLY A 33 5.650 18.923 -3.666 1.00 24.00 O ATOM 0 H GLY A 33 5.284 18.752 -7.915 1.00 50.14 H new ATOM 0 HA2 GLY A 33 6.924 18.194 -5.696 1.00 11.24 H new ATOM 0 HA3 GLY A 33 6.625 19.759 -6.426 1.00 11.24 H new ATOM 468 N ASN A 34 4.261 20.054 -5.027 1.00 45.31 N ATOM 469 CA ASN A 34 3.399 20.516 -3.945 1.00 15.04 C ATOM 470 C ASN A 34 2.683 19.345 -3.281 1.00 53.42 C ATOM 471 O ASN A 34 2.389 19.378 -2.085 1.00 75.01 O ATOM 472 CB ASN A 34 2.375 21.522 -4.474 1.00 5.44 C ATOM 473 CG ASN A 34 3.017 22.631 -5.284 1.00 11.42 C ATOM 474 OD1 ASN A 34 2.868 22.692 -6.504 1.00 45.30 O ATOM 475 ND2 ASN A 34 3.740 23.516 -4.606 1.00 4.13 N ATOM 0 H ASN A 34 3.977 20.366 -5.956 1.00 45.31 H new ATOM 0 HA ASN A 34 4.026 21.005 -3.199 1.00 15.04 H new ATOM 0 HB2 ASN A 34 1.644 21.001 -5.092 1.00 5.44 H new ATOM 0 HB3 ASN A 34 1.831 21.957 -3.636 1.00 5.44 H new ATOM 0 HD21 ASN A 34 4.198 24.284 -5.097 1.00 4.13 H new ATOM 0 HD22 ASN A 34 3.837 23.427 -3.594 1.00 4.13 H new ATOM 482 N PHE A 35 2.404 18.308 -4.064 1.00 22.40 N ATOM 483 CA PHE A 35 1.722 17.125 -3.554 1.00 43.41 C ATOM 484 C PHE A 35 2.523 16.479 -2.427 1.00 24.24 C ATOM 485 O PHE A 35 2.002 16.243 -1.337 1.00 24.42 O ATOM 486 CB PHE A 35 1.497 16.114 -4.680 1.00 42.43 C ATOM 487 CG PHE A 35 0.821 14.852 -4.226 1.00 53.02 C ATOM 488 CD1 PHE A 35 1.300 13.613 -4.621 1.00 33.40 C ATOM 489 CD2 PHE A 35 -0.293 14.903 -3.405 1.00 23.23 C ATOM 490 CE1 PHE A 35 0.681 12.449 -4.205 1.00 70.42 C ATOM 491 CE2 PHE A 35 -0.917 13.744 -2.985 1.00 51.42 C ATOM 492 CZ PHE A 35 -0.429 12.515 -3.387 1.00 1.33 C ATOM 0 H PHE A 35 2.640 18.263 -5.055 1.00 22.40 H new ATOM 0 HA PHE A 35 0.756 17.436 -3.157 1.00 43.41 H new ATOM 0 HB2 PHE A 35 0.894 16.579 -5.460 1.00 42.43 H new ATOM 0 HB3 PHE A 35 2.458 15.861 -5.128 1.00 42.43 H new ATOM 0 HD1 PHE A 35 2.168 13.556 -5.262 1.00 33.40 H new ATOM 0 HD2 PHE A 35 -0.679 15.861 -3.089 1.00 23.23 H new ATOM 0 HE1 PHE A 35 1.065 11.490 -4.519 1.00 70.42 H new ATOM 0 HE2 PHE A 35 -1.784 13.798 -2.344 1.00 51.42 H new ATOM 0 HZ PHE A 35 -0.916 11.607 -3.062 1.00 1.33 H new ATOM 502 N ARG A 36 3.792 16.195 -2.700 1.00 1.02 N ATOM 503 CA ARG A 36 4.665 15.575 -1.710 1.00 52.30 C ATOM 504 C ARG A 36 4.850 16.486 -0.500 1.00 61.21 C ATOM 505 O ARG A 36 4.741 16.045 0.643 1.00 15.32 O ATOM 506 CB ARG A 36 6.025 15.251 -2.331 1.00 70.43 C ATOM 507 CG ARG A 36 5.932 14.428 -3.606 1.00 14.32 C ATOM 508 CD ARG A 36 7.224 14.494 -4.406 1.00 12.31 C ATOM 509 NE ARG A 36 8.239 13.582 -3.884 1.00 30.34 N ATOM 510 CZ ARG A 36 8.172 12.261 -4.003 1.00 25.13 C ATOM 511 NH1 ARG A 36 7.142 11.700 -4.623 1.00 55.42 N ATOM 512 NH2 ARG A 36 9.134 11.499 -3.501 1.00 12.12 N ATOM 0 H ARG A 36 4.238 16.384 -3.597 1.00 1.02 H new ATOM 0 HA ARG A 36 4.195 14.650 -1.377 1.00 52.30 H new ATOM 0 HB2 ARG A 36 6.547 16.183 -2.547 1.00 70.43 H new ATOM 0 HB3 ARG A 36 6.628 14.709 -1.602 1.00 70.43 H new ATOM 0 HG2 ARG A 36 5.710 13.391 -3.356 1.00 14.32 H new ATOM 0 HG3 ARG A 36 5.106 14.792 -4.216 1.00 14.32 H new ATOM 0 HD2 ARG A 36 7.018 14.249 -5.448 1.00 12.31 H new ATOM 0 HD3 ARG A 36 7.609 15.513 -4.389 1.00 12.31 H new ATOM 0 HE ARG A 36 9.044 13.982 -3.401 1.00 30.34 H new ATOM 0 HH11 ARG A 36 6.400 12.283 -5.009 1.00 55.42 H new ATOM 0 HH12 ARG A 36 7.092 10.685 -4.713 1.00 55.42 H new ATOM 0 HH21 ARG A 36 9.927 11.927 -3.023 1.00 12.12 H new ATOM 0 HH22 ARG A 36 9.081 10.485 -3.593 1.00 12.12 H new ATOM 526 N TRP A 37 5.130 17.758 -0.762 1.00 52.34 N ATOM 527 CA TRP A 37 5.330 18.731 0.305 1.00 14.33 C ATOM 528 C TRP A 37 4.181 18.686 1.306 1.00 32.21 C ATOM 529 O TRP A 37 4.390 18.825 2.511 1.00 45.12 O ATOM 530 CB TRP A 37 5.460 20.139 -0.278 1.00 13.00 C ATOM 531 CG TRP A 37 5.281 21.224 0.741 1.00 13.40 C ATOM 532 CD1 TRP A 37 6.268 21.884 1.416 1.00 22.44 C ATOM 533 CD2 TRP A 37 4.041 21.770 1.202 1.00 12.11 C ATOM 534 NE1 TRP A 37 5.714 22.809 2.269 1.00 12.13 N ATOM 535 CE2 TRP A 37 4.351 22.760 2.155 1.00 4.53 C ATOM 536 CE3 TRP A 37 2.700 21.522 0.900 1.00 64.40 C ATOM 537 CZ2 TRP A 37 3.366 23.497 2.808 1.00 73.31 C ATOM 538 CZ3 TRP A 37 1.724 22.255 1.549 1.00 53.25 C ATOM 539 CH2 TRP A 37 2.061 23.234 2.493 1.00 0.45 C ATOM 0 H TRP A 37 5.224 18.139 -1.704 1.00 52.34 H new ATOM 0 HA TRP A 37 6.252 18.475 0.827 1.00 14.33 H new ATOM 0 HB2 TRP A 37 6.441 20.244 -0.741 1.00 13.00 H new ATOM 0 HB3 TRP A 37 4.720 20.267 -1.068 1.00 13.00 H new ATOM 0 HD1 TRP A 37 7.327 21.706 1.297 1.00 22.44 H new ATOM 0 HE1 TRP A 37 6.235 23.431 2.887 1.00 12.13 H new ATOM 0 HE3 TRP A 37 2.430 20.771 0.172 1.00 64.40 H new ATOM 0 HZ2 TRP A 37 3.624 24.250 3.538 1.00 73.31 H new ATOM 0 HZ3 TRP A 37 0.684 22.070 1.325 1.00 53.25 H new ATOM 0 HH2 TRP A 37 1.275 23.792 2.981 1.00 0.45 H new ATOM 550 N ALA A 38 2.969 18.492 0.799 1.00 1.24 N ATOM 551 CA ALA A 38 1.786 18.427 1.650 1.00 54.13 C ATOM 552 C ALA A 38 1.673 17.066 2.328 1.00 41.30 C ATOM 553 O ALA A 38 1.277 16.971 3.490 1.00 33.25 O ATOM 554 CB ALA A 38 0.534 18.720 0.838 1.00 73.44 C ATOM 0 H ALA A 38 2.779 18.377 -0.197 1.00 1.24 H new ATOM 0 HA ALA A 38 1.886 19.184 2.427 1.00 54.13 H new ATOM 0 HB1 ALA A 38 -0.341 18.668 1.486 1.00 73.44 H new ATOM 0 HB2 ALA A 38 0.606 19.718 0.405 1.00 73.44 H new ATOM 0 HB3 ALA A 38 0.438 17.984 0.039 1.00 73.44 H new ATOM 560 N ILE A 39 2.021 16.014 1.594 1.00 5.50 N ATOM 561 CA ILE A 39 1.957 14.658 2.126 1.00 73.02 C ATOM 562 C ILE A 39 2.810 14.519 3.383 1.00 62.03 C ATOM 563 O ILE A 39 2.342 14.032 4.411 1.00 42.31 O ATOM 564 CB ILE A 39 2.426 13.623 1.086 1.00 44.35 C ATOM 565 CG1 ILE A 39 1.441 13.561 -0.084 1.00 2.03 C ATOM 566 CG2 ILE A 39 2.575 12.254 1.730 1.00 14.25 C ATOM 567 CD1 ILE A 39 2.082 13.158 -1.393 1.00 5.32 C ATOM 0 H ILE A 39 2.350 16.074 0.630 1.00 5.50 H new ATOM 0 HA ILE A 39 0.913 14.466 2.374 1.00 73.02 H new ATOM 0 HB ILE A 39 3.399 13.931 0.703 1.00 44.35 H new ATOM 0 HG12 ILE A 39 0.648 12.853 0.156 1.00 2.03 H new ATOM 0 HG13 ILE A 39 0.971 14.537 -0.204 1.00 2.03 H new ATOM 0 HG21 ILE A 39 2.907 11.534 0.982 1.00 14.25 H new ATOM 0 HG22 ILE A 39 3.310 12.308 2.533 1.00 14.25 H new ATOM 0 HG23 ILE A 39 1.615 11.937 2.137 1.00 14.25 H new ATOM 0 HD11 ILE A 39 1.325 13.135 -2.177 1.00 5.32 H new ATOM 0 HD12 ILE A 39 2.856 13.879 -1.657 1.00 5.32 H new ATOM 0 HD13 ILE A 39 2.528 12.169 -1.290 1.00 5.32 H new ATOM 579 N ARG A 40 4.062 14.954 3.292 1.00 30.33 N ATOM 580 CA ARG A 40 4.981 14.879 4.422 1.00 4.04 C ATOM 581 C ARG A 40 4.594 15.885 5.503 1.00 70.21 C ATOM 582 O ARG A 40 4.552 15.553 6.687 1.00 4.25 O ATOM 583 CB ARG A 40 6.415 15.138 3.959 1.00 14.43 C ATOM 584 CG ARG A 40 7.177 13.872 3.602 1.00 3.31 C ATOM 585 CD ARG A 40 8.511 14.190 2.947 1.00 1.10 C ATOM 586 NE ARG A 40 9.283 12.984 2.660 1.00 63.14 N ATOM 587 CZ ARG A 40 10.484 12.997 2.094 1.00 52.52 C ATOM 588 NH1 ARG A 40 11.050 14.148 1.757 1.00 44.42 N ATOM 589 NH2 ARG A 40 11.123 11.857 1.865 1.00 61.13 N ATOM 0 H ARG A 40 4.464 15.362 2.448 1.00 30.33 H new ATOM 0 HA ARG A 40 4.919 13.876 4.843 1.00 4.04 H new ATOM 0 HB2 ARG A 40 6.394 15.797 3.091 1.00 14.43 H new ATOM 0 HB3 ARG A 40 6.953 15.666 4.747 1.00 14.43 H new ATOM 0 HG2 ARG A 40 7.344 13.281 4.502 1.00 3.31 H new ATOM 0 HG3 ARG A 40 6.576 13.262 2.928 1.00 3.31 H new ATOM 0 HD2 ARG A 40 8.338 14.738 2.021 1.00 1.10 H new ATOM 0 HD3 ARG A 40 9.089 14.843 3.601 1.00 1.10 H new ATOM 0 HE ARG A 40 8.877 12.082 2.908 1.00 63.14 H new ATOM 0 HH11 ARG A 40 10.563 15.027 1.932 1.00 44.42 H new ATOM 0 HH12 ARG A 40 11.973 14.155 1.322 1.00 44.42 H new ATOM 0 HH21 ARG A 40 10.692 10.970 2.124 1.00 61.13 H new ATOM 0 HH22 ARG A 40 12.046 11.868 1.430 1.00 61.13 H new ATOM 603 N MET A 41 4.316 17.116 5.087 1.00 64.13 N ATOM 604 CA MET A 41 3.933 18.169 6.019 1.00 33.34 C ATOM 605 C MET A 41 2.729 17.746 6.854 1.00 61.15 C ATOM 606 O MET A 41 2.711 17.926 8.071 1.00 21.21 O ATOM 607 CB MET A 41 3.614 19.460 5.261 1.00 12.23 C ATOM 608 CG MET A 41 3.099 20.577 6.154 1.00 61.24 C ATOM 609 SD MET A 41 4.268 21.025 7.452 1.00 41.42 S ATOM 610 CE MET A 41 5.355 22.135 6.562 1.00 53.04 C ATOM 0 H MET A 41 4.349 17.409 4.110 1.00 64.13 H new ATOM 0 HA MET A 41 4.773 18.348 6.690 1.00 33.34 H new ATOM 0 HB2 MET A 41 4.513 19.802 4.747 1.00 12.23 H new ATOM 0 HB3 MET A 41 2.870 19.247 4.494 1.00 12.23 H new ATOM 0 HG2 MET A 41 2.885 21.455 5.544 1.00 61.24 H new ATOM 0 HG3 MET A 41 2.158 20.268 6.609 1.00 61.24 H new ATOM 0 HE1 MET A 41 6.134 22.497 7.233 1.00 53.04 H new ATOM 0 HE2 MET A 41 5.813 21.604 5.728 1.00 53.04 H new ATOM 0 HE3 MET A 41 4.781 22.980 6.183 1.00 53.04 H new ATOM 620 N ALA A 42 1.724 17.183 6.191 1.00 52.50 N ATOM 621 CA ALA A 42 0.517 16.732 6.873 1.00 3.11 C ATOM 622 C ALA A 42 0.784 15.471 7.687 1.00 0.52 C ATOM 623 O ALA A 42 0.228 15.290 8.769 1.00 34.23 O ATOM 624 CB ALA A 42 -0.597 16.487 5.866 1.00 4.14 C ATOM 0 H ALA A 42 1.722 17.028 5.183 1.00 52.50 H new ATOM 0 HA ALA A 42 0.204 17.517 7.562 1.00 3.11 H new ATOM 0 HB1 ALA A 42 -1.492 16.151 6.389 1.00 4.14 H new ATOM 0 HB2 ALA A 42 -0.814 17.412 5.332 1.00 4.14 H new ATOM 0 HB3 ALA A 42 -0.283 15.723 5.155 1.00 4.14 H new ATOM 630 N ASN A 43 1.639 14.601 7.159 1.00 63.42 N ATOM 631 CA ASN A 43 1.979 13.355 7.836 1.00 71.13 C ATOM 632 C ASN A 43 2.698 13.632 9.153 1.00 13.30 C ATOM 633 O ASN A 43 2.260 13.193 10.216 1.00 41.51 O ATOM 634 CB ASN A 43 2.856 12.484 6.936 1.00 75.11 C ATOM 635 CG ASN A 43 2.039 11.578 6.034 1.00 33.20 C ATOM 636 OD1 ASN A 43 0.810 11.577 6.087 1.00 64.13 O ATOM 637 ND2 ASN A 43 2.722 10.802 5.200 1.00 71.42 N ATOM 0 H ASN A 43 2.109 14.736 6.264 1.00 63.42 H new ATOM 0 HA ASN A 43 1.053 12.823 8.053 1.00 71.13 H new ATOM 0 HB2 ASN A 43 3.492 13.124 6.324 1.00 75.11 H new ATOM 0 HB3 ASN A 43 3.516 11.876 7.555 1.00 75.11 H new ATOM 0 HD21 ASN A 43 2.227 10.172 4.569 1.00 71.42 H new ATOM 0 HD22 ASN A 43 3.741 10.836 5.191 1.00 71.42 H new ATOM 644 N VAL A 44 3.806 14.363 9.074 1.00 5.44 N ATOM 645 CA VAL A 44 4.586 14.699 10.259 1.00 0.00 C ATOM 646 C VAL A 44 3.750 15.490 11.261 1.00 40.44 C ATOM 647 O VAL A 44 3.831 15.262 12.468 1.00 62.43 O ATOM 648 CB VAL A 44 5.838 15.518 9.893 1.00 4.24 C ATOM 649 CG1 VAL A 44 6.640 15.854 11.141 1.00 22.12 C ATOM 650 CG2 VAL A 44 6.693 14.762 8.888 1.00 53.42 C ATOM 0 H VAL A 44 4.183 14.734 8.202 1.00 5.44 H new ATOM 0 HA VAL A 44 4.896 13.757 10.712 1.00 0.00 H new ATOM 0 HB VAL A 44 5.518 16.453 9.433 1.00 4.24 H new ATOM 0 HG11 VAL A 44 7.521 16.433 10.863 1.00 22.12 H new ATOM 0 HG12 VAL A 44 6.023 16.438 11.824 1.00 22.12 H new ATOM 0 HG13 VAL A 44 6.952 14.932 11.632 1.00 22.12 H new ATOM 0 HG21 VAL A 44 7.573 15.355 8.640 1.00 53.42 H new ATOM 0 HG22 VAL A 44 7.006 13.811 9.319 1.00 53.42 H new ATOM 0 HG23 VAL A 44 6.114 14.578 7.983 1.00 53.42 H new ATOM 660 N SER A 45 2.948 16.418 10.750 1.00 1.45 N ATOM 661 CA SER A 45 2.100 17.245 11.602 1.00 65.45 C ATOM 662 C SER A 45 1.107 16.386 12.379 1.00 14.31 C ATOM 663 O SER A 45 0.641 16.771 13.451 1.00 1.21 O ATOM 664 CB SER A 45 1.346 18.275 10.757 1.00 33.24 C ATOM 665 OG SER A 45 2.188 19.359 10.404 1.00 54.35 O ATOM 0 H SER A 45 2.867 16.616 9.753 1.00 1.45 H new ATOM 0 HA SER A 45 2.740 17.765 12.315 1.00 65.45 H new ATOM 0 HB2 SER A 45 0.963 17.799 9.854 1.00 33.24 H new ATOM 0 HB3 SER A 45 0.484 18.645 11.313 1.00 33.24 H new ATOM 0 HG SER A 45 2.610 19.177 9.539 1.00 54.35 H new ATOM 671 N THR A 46 0.790 15.217 11.831 1.00 10.33 N ATOM 672 CA THR A 46 -0.146 14.302 12.472 1.00 4.02 C ATOM 673 C THR A 46 0.590 13.204 13.231 1.00 2.34 C ATOM 674 O THR A 46 0.055 12.116 13.443 1.00 54.11 O ATOM 675 CB THR A 46 -1.091 13.652 11.442 1.00 35.45 C ATOM 676 OG1 THR A 46 -0.352 13.255 10.282 1.00 34.44 O ATOM 677 CG2 THR A 46 -2.197 14.616 11.040 1.00 61.14 C ATOM 0 H THR A 46 1.168 14.882 10.945 1.00 10.33 H new ATOM 0 HA THR A 46 -0.735 14.893 13.173 1.00 4.02 H new ATOM 0 HB THR A 46 -1.545 12.774 11.901 1.00 35.45 H new ATOM 0 HG1 THR A 46 -0.166 14.041 9.728 1.00 34.44 H new ATOM 0 HG21 THR A 46 -2.852 14.136 10.313 1.00 61.14 H new ATOM 0 HG22 THR A 46 -2.776 14.894 11.921 1.00 61.14 H new ATOM 0 HG23 THR A 46 -1.757 15.510 10.598 1.00 61.14 H new ATOM 685 N GLY A 47 1.820 13.497 13.641 1.00 33.14 N ATOM 686 CA GLY A 47 2.610 12.525 14.375 1.00 44.13 C ATOM 687 C GLY A 47 2.736 11.207 13.636 1.00 54.12 C ATOM 688 O GLY A 47 2.946 10.161 14.252 1.00 74.55 O ATOM 0 H GLY A 47 2.284 14.391 13.478 1.00 33.14 H new ATOM 0 HA2 GLY A 47 3.604 12.932 14.558 1.00 44.13 H new ATOM 0 HA3 GLY A 47 2.153 12.350 15.349 1.00 44.13 H new ATOM 692 N ARG A 48 2.608 11.256 12.315 1.00 42.43 N ATOM 693 CA ARG A 48 2.707 10.056 11.492 1.00 11.42 C ATOM 694 C ARG A 48 4.050 10.001 10.770 1.00 1.01 C ATOM 695 O ARG A 48 4.597 11.031 10.378 1.00 24.41 O ATOM 696 CB ARG A 48 1.566 10.014 10.474 1.00 72.24 C ATOM 697 CG ARG A 48 0.679 8.787 10.603 1.00 2.23 C ATOM 698 CD ARG A 48 -0.629 8.962 9.848 1.00 20.34 C ATOM 699 NE ARG A 48 -1.322 7.693 9.650 1.00 3.13 N ATOM 700 CZ ARG A 48 -2.439 7.568 8.942 1.00 3.21 C ATOM 701 NH1 ARG A 48 -2.987 8.629 8.368 1.00 31.45 N ATOM 702 NH2 ARG A 48 -3.011 6.378 8.807 1.00 54.10 N ATOM 0 H ARG A 48 2.435 12.114 11.791 1.00 42.43 H new ATOM 0 HA ARG A 48 2.631 9.189 12.148 1.00 11.42 H new ATOM 0 HB2 ARG A 48 0.954 10.908 10.590 1.00 72.24 H new ATOM 0 HB3 ARG A 48 1.986 10.044 9.469 1.00 72.24 H new ATOM 0 HG2 ARG A 48 1.207 7.914 10.220 1.00 2.23 H new ATOM 0 HG3 ARG A 48 0.470 8.597 11.656 1.00 2.23 H new ATOM 0 HD2 ARG A 48 -1.276 9.646 10.398 1.00 20.34 H new ATOM 0 HD3 ARG A 48 -0.430 9.421 8.880 1.00 20.34 H new ATOM 0 HE ARG A 48 -0.927 6.856 10.079 1.00 3.13 H new ATOM 0 HH11 ARG A 48 -2.551 9.546 8.469 1.00 31.45 H new ATOM 0 HH12 ARG A 48 -3.845 8.529 7.825 1.00 31.45 H new ATOM 0 HH21 ARG A 48 -2.593 5.558 9.247 1.00 54.10 H new ATOM 0 HH22 ARG A 48 -3.869 6.283 8.263 1.00 54.10 H new ATOM 716 N GLU A 49 4.575 8.792 10.599 1.00 61.52 N ATOM 717 CA GLU A 49 5.854 8.604 9.925 1.00 55.25 C ATOM 718 C GLU A 49 5.778 9.065 8.472 1.00 22.52 C ATOM 719 O GLU A 49 4.699 9.190 7.890 1.00 74.22 O ATOM 720 CB GLU A 49 6.276 7.134 9.983 1.00 62.41 C ATOM 721 CG GLU A 49 7.167 6.803 11.167 1.00 11.22 C ATOM 722 CD GLU A 49 6.826 5.466 11.798 1.00 33.41 C ATOM 723 OE1 GLU A 49 5.970 5.441 12.707 1.00 62.45 O ATOM 724 OE2 GLU A 49 7.416 4.447 11.383 1.00 43.30 O ATOM 0 H GLU A 49 4.135 7.929 10.918 1.00 61.52 H new ATOM 0 HA GLU A 49 6.599 9.209 10.442 1.00 55.25 H new ATOM 0 HB2 GLU A 49 5.383 6.510 10.025 1.00 62.41 H new ATOM 0 HB3 GLU A 49 6.800 6.879 9.062 1.00 62.41 H new ATOM 0 HG2 GLU A 49 8.207 6.792 10.842 1.00 11.22 H new ATOM 0 HG3 GLU A 49 7.075 7.589 11.917 1.00 11.22 H new ATOM 731 N PRO A 50 6.948 9.325 7.870 1.00 14.25 N ATOM 732 CA PRO A 50 7.041 9.777 6.479 1.00 24.02 C ATOM 733 C PRO A 50 6.663 8.681 5.488 1.00 51.01 C ATOM 734 O PRO A 50 6.398 8.954 4.318 1.00 51.41 O ATOM 735 CB PRO A 50 8.517 10.152 6.326 1.00 44.22 C ATOM 736 CG PRO A 50 9.225 9.332 7.348 1.00 3.25 C ATOM 737 CD PRO A 50 8.271 9.198 8.503 1.00 12.02 C ATOM 0 HA PRO A 50 6.355 10.598 6.270 1.00 24.02 H new ATOM 0 HB2 PRO A 50 8.879 9.932 5.322 1.00 44.22 H new ATOM 0 HB3 PRO A 50 8.674 11.217 6.495 1.00 44.22 H new ATOM 0 HG2 PRO A 50 9.493 8.354 6.947 1.00 3.25 H new ATOM 0 HG3 PRO A 50 10.152 9.813 7.661 1.00 3.25 H new ATOM 0 HD2 PRO A 50 8.384 8.239 9.008 1.00 12.02 H new ATOM 0 HD3 PRO A 50 8.435 9.974 9.251 1.00 12.02 H new ATOM 745 N GLY A 51 6.641 7.440 5.965 1.00 32.22 N ATOM 746 CA GLY A 51 6.294 6.322 5.107 1.00 75.44 C ATOM 747 C GLY A 51 4.799 6.084 5.040 1.00 10.40 C ATOM 748 O GLY A 51 4.333 4.962 5.239 1.00 64.35 O ATOM 0 H GLY A 51 6.857 7.189 6.930 1.00 32.22 H new ATOM 0 HA2 GLY A 51 6.674 6.507 4.103 1.00 75.44 H new ATOM 0 HA3 GLY A 51 6.786 5.421 5.473 1.00 75.44 H new ATOM 752 N ASP A 52 4.045 7.142 4.762 1.00 74.02 N ATOM 753 CA ASP A 52 2.594 7.043 4.671 1.00 25.33 C ATOM 754 C ASP A 52 2.103 7.488 3.296 1.00 52.03 C ATOM 755 O ASP A 52 1.886 8.676 3.059 1.00 51.14 O ATOM 756 CB ASP A 52 1.933 7.890 5.760 1.00 62.32 C ATOM 757 CG ASP A 52 1.317 7.046 6.857 1.00 44.51 C ATOM 758 OD1 ASP A 52 0.199 7.380 7.306 1.00 14.11 O ATOM 759 OD2 ASP A 52 1.949 6.050 7.265 1.00 35.41 O ATOM 0 H ASP A 52 4.415 8.078 4.596 1.00 74.02 H new ATOM 0 HA ASP A 52 2.317 5.999 4.816 1.00 25.33 H new ATOM 0 HB2 ASP A 52 2.675 8.560 6.195 1.00 62.32 H new ATOM 0 HB3 ASP A 52 1.162 8.516 5.311 1.00 62.32 H new ATOM 764 N ILE A 53 1.933 6.526 2.394 1.00 14.13 N ATOM 765 CA ILE A 53 1.469 6.819 1.044 1.00 32.25 C ATOM 766 C ILE A 53 0.214 6.021 0.709 1.00 15.21 C ATOM 767 O ILE A 53 0.260 5.013 0.003 1.00 11.31 O ATOM 768 CB ILE A 53 2.556 6.511 -0.003 1.00 42.02 C ATOM 769 CG1 ILE A 53 2.008 6.725 -1.415 1.00 60.24 C ATOM 770 CG2 ILE A 53 3.063 5.086 0.164 1.00 31.10 C ATOM 771 CD1 ILE A 53 2.878 7.620 -2.272 1.00 13.23 C ATOM 0 H ILE A 53 2.110 5.538 2.574 1.00 14.13 H new ATOM 0 HA ILE A 53 1.238 7.884 1.013 1.00 32.25 H new ATOM 0 HB ILE A 53 3.392 7.194 0.150 1.00 42.02 H new ATOM 0 HG12 ILE A 53 1.902 5.757 -1.905 1.00 60.24 H new ATOM 0 HG13 ILE A 53 1.010 7.159 -1.347 1.00 60.24 H new ATOM 0 HG21 ILE A 53 3.831 4.883 -0.583 1.00 31.10 H new ATOM 0 HG22 ILE A 53 3.486 4.965 1.161 1.00 31.10 H new ATOM 0 HG23 ILE A 53 2.236 4.388 0.033 1.00 31.10 H new ATOM 0 HD11 ILE A 53 2.428 7.727 -3.259 1.00 13.23 H new ATOM 0 HD12 ILE A 53 2.964 8.601 -1.804 1.00 13.23 H new ATOM 0 HD13 ILE A 53 3.869 7.177 -2.371 1.00 13.23 H new ATOM 783 N PRO A 54 -0.936 6.482 1.224 1.00 51.32 N ATOM 784 CA PRO A 54 -2.226 5.827 0.990 1.00 51.42 C ATOM 785 C PRO A 54 -2.698 5.975 -0.452 1.00 3.52 C ATOM 786 O PRO A 54 -1.953 6.439 -1.314 1.00 24.22 O ATOM 787 CB PRO A 54 -3.174 6.562 1.942 1.00 52.24 C ATOM 788 CG PRO A 54 -2.549 7.900 2.140 1.00 44.24 C ATOM 789 CD PRO A 54 -1.064 7.678 2.073 1.00 15.11 C ATOM 0 HA PRO A 54 -2.175 4.752 1.163 1.00 51.42 H new ATOM 0 HB2 PRO A 54 -4.173 6.651 1.515 1.00 52.24 H new ATOM 0 HB3 PRO A 54 -3.277 6.029 2.887 1.00 52.24 H new ATOM 0 HG2 PRO A 54 -2.874 8.600 1.370 1.00 44.24 H new ATOM 0 HG3 PRO A 54 -2.837 8.327 3.101 1.00 44.24 H new ATOM 0 HD2 PRO A 54 -0.549 8.535 1.640 1.00 15.11 H new ATOM 0 HD3 PRO A 54 -0.637 7.516 3.063 1.00 15.11 H new ATOM 797 N GLU A 55 -3.942 5.578 -0.707 1.00 74.00 N ATOM 798 CA GLU A 55 -4.512 5.667 -2.046 1.00 24.02 C ATOM 799 C GLU A 55 -5.960 5.186 -2.052 1.00 45.05 C ATOM 800 O GLU A 55 -6.419 4.573 -3.018 1.00 22.44 O ATOM 801 CB GLU A 55 -3.684 4.841 -3.033 1.00 61.30 C ATOM 802 CG GLU A 55 -3.422 5.552 -4.350 1.00 20.13 C ATOM 803 CD GLU A 55 -2.545 4.742 -5.286 1.00 13.45 C ATOM 804 OE1 GLU A 55 -1.308 4.904 -5.226 1.00 1.34 O ATOM 805 OE2 GLU A 55 -3.095 3.947 -6.075 1.00 63.34 O ATOM 0 H GLU A 55 -4.573 5.192 -0.004 1.00 74.00 H new ATOM 0 HA GLU A 55 -4.493 6.713 -2.354 1.00 24.02 H new ATOM 0 HB2 GLU A 55 -2.730 4.587 -2.571 1.00 61.30 H new ATOM 0 HB3 GLU A 55 -4.202 3.903 -3.233 1.00 61.30 H new ATOM 0 HG2 GLU A 55 -4.372 5.763 -4.840 1.00 20.13 H new ATOM 0 HG3 GLU A 55 -2.946 6.512 -4.152 1.00 20.13 H new ATOM 812 N THR A 56 -6.676 5.467 -0.968 1.00 44.33 N ATOM 813 CA THR A 56 -8.071 5.062 -0.848 1.00 45.22 C ATOM 814 C THR A 56 -8.929 6.198 -0.303 1.00 35.33 C ATOM 815 O THR A 56 -8.486 6.968 0.552 1.00 4.33 O ATOM 816 CB THR A 56 -8.224 3.834 0.070 1.00 74.03 C ATOM 817 OG1 THR A 56 -7.926 4.194 1.423 1.00 41.23 O ATOM 818 CG2 THR A 56 -7.301 2.709 -0.375 1.00 72.53 C ATOM 0 H THR A 56 -6.313 5.973 -0.161 1.00 44.33 H new ATOM 0 HA THR A 56 -8.410 4.802 -1.851 1.00 45.22 H new ATOM 0 HB THR A 56 -9.255 3.485 0.006 1.00 74.03 H new ATOM 0 HG1 THR A 56 -8.448 3.633 2.033 1.00 41.23 H new ATOM 0 HG21 THR A 56 -7.426 1.852 0.287 1.00 72.53 H new ATOM 0 HG22 THR A 56 -7.548 2.418 -1.396 1.00 72.53 H new ATOM 0 HG23 THR A 56 -6.266 3.050 -0.336 1.00 72.53 H new ATOM 826 N LEU A 57 -10.156 6.300 -0.800 1.00 53.20 N ATOM 827 CA LEU A 57 -11.077 7.343 -0.361 1.00 74.13 C ATOM 828 C LEU A 57 -11.189 7.366 1.159 1.00 12.34 C ATOM 829 O LEU A 57 -11.330 8.427 1.766 1.00 25.32 O ATOM 830 CB LEU A 57 -12.457 7.126 -0.983 1.00 2.13 C ATOM 831 CG LEU A 57 -12.965 8.242 -1.897 1.00 72.11 C ATOM 832 CD1 LEU A 57 -12.897 9.586 -1.187 1.00 43.33 C ATOM 833 CD2 LEU A 57 -12.162 8.278 -3.190 1.00 15.33 C ATOM 0 H LEU A 57 -10.537 5.673 -1.508 1.00 53.20 H new ATOM 0 HA LEU A 57 -10.683 8.304 -0.692 1.00 74.13 H new ATOM 0 HB2 LEU A 57 -12.434 6.198 -1.554 1.00 2.13 H new ATOM 0 HB3 LEU A 57 -13.178 6.987 -0.178 1.00 2.13 H new ATOM 0 HG LEU A 57 -14.007 8.038 -2.145 1.00 72.11 H new ATOM 0 HD11 LEU A 57 -13.262 10.368 -1.853 1.00 43.33 H new ATOM 0 HD12 LEU A 57 -13.515 9.555 -0.290 1.00 43.33 H new ATOM 0 HD13 LEU A 57 -11.865 9.799 -0.909 1.00 43.33 H new ATOM 0 HD21 LEU A 57 -12.537 9.078 -3.829 1.00 15.33 H new ATOM 0 HD22 LEU A 57 -11.112 8.458 -2.961 1.00 15.33 H new ATOM 0 HD23 LEU A 57 -12.262 7.324 -3.707 1.00 15.33 H new ATOM 845 N ASP A 58 -11.121 6.188 1.770 1.00 5.43 N ATOM 846 CA ASP A 58 -11.213 6.073 3.221 1.00 13.54 C ATOM 847 C ASP A 58 -9.941 6.588 3.888 1.00 70.32 C ATOM 848 O ASP A 58 -9.992 7.190 4.960 1.00 4.44 O ATOM 849 CB ASP A 58 -11.460 4.618 3.625 1.00 64.02 C ATOM 850 CG ASP A 58 -12.824 4.416 4.254 1.00 0.22 C ATOM 851 OD1 ASP A 58 -13.838 4.621 3.554 1.00 73.41 O ATOM 852 OD2 ASP A 58 -12.879 4.052 5.447 1.00 53.03 O ATOM 0 H ASP A 58 -11.003 5.300 1.283 1.00 5.43 H new ATOM 0 HA ASP A 58 -12.052 6.683 3.556 1.00 13.54 H new ATOM 0 HB2 ASP A 58 -11.370 3.980 2.746 1.00 64.02 H new ATOM 0 HB3 ASP A 58 -10.689 4.303 4.328 1.00 64.02 H new ATOM 857 N GLN A 59 -8.803 6.348 3.245 1.00 12.40 N ATOM 858 CA GLN A 59 -7.518 6.787 3.777 1.00 3.44 C ATOM 859 C GLN A 59 -7.386 8.304 3.699 1.00 31.33 C ATOM 860 O GLN A 59 -7.133 8.968 4.705 1.00 31.12 O ATOM 861 CB GLN A 59 -6.371 6.123 3.013 1.00 40.23 C ATOM 862 CG GLN A 59 -6.008 4.743 3.537 1.00 0.34 C ATOM 863 CD GLN A 59 -4.874 4.103 2.762 1.00 73.43 C ATOM 864 OE1 GLN A 59 -5.057 3.963 1.454 1.00 72.04 O flip ATOM 865 NE2 GLN A 59 -3.845 3.740 3.331 1.00 44.15 N flip ATOM 0 H GLN A 59 -8.744 5.852 2.355 1.00 12.40 H new ATOM 0 HA GLN A 59 -7.467 6.490 4.824 1.00 3.44 H new ATOM 0 HB2 GLN A 59 -6.645 6.042 1.961 1.00 40.23 H new ATOM 0 HB3 GLN A 59 -5.492 6.765 3.065 1.00 40.23 H new ATOM 0 HG2 GLN A 59 -5.727 4.820 4.587 1.00 0.34 H new ATOM 0 HG3 GLN A 59 -6.885 4.098 3.488 1.00 0.34 H new ATOM 0 HE21 GLN A 59 -3.747 3.867 4.338 1.00 44.15 H new ATOM 0 HE22 GLN A 59 -3.090 3.312 2.795 1.00 44.15 H new ATOM 874 N LEU A 60 -7.560 8.847 2.500 1.00 51.05 N ATOM 875 CA LEU A 60 -7.460 10.287 2.289 1.00 50.32 C ATOM 876 C LEU A 60 -8.431 11.038 3.195 1.00 32.14 C ATOM 877 O LEU A 60 -8.084 12.066 3.776 1.00 74.00 O ATOM 878 CB LEU A 60 -7.743 10.629 0.826 1.00 72.23 C ATOM 879 CG LEU A 60 -6.549 10.545 -0.126 1.00 54.42 C ATOM 880 CD1 LEU A 60 -5.568 11.675 0.146 1.00 64.41 C ATOM 881 CD2 LEU A 60 -5.858 9.195 0.003 1.00 62.43 C ATOM 0 H LEU A 60 -7.771 8.312 1.658 1.00 51.05 H new ATOM 0 HA LEU A 60 -6.445 10.596 2.538 1.00 50.32 H new ATOM 0 HB2 LEU A 60 -8.521 9.959 0.461 1.00 72.23 H new ATOM 0 HB3 LEU A 60 -8.147 11.640 0.782 1.00 72.23 H new ATOM 0 HG LEU A 60 -6.916 10.648 -1.147 1.00 54.42 H new ATOM 0 HD11 LEU A 60 -4.725 11.598 -0.541 1.00 64.41 H new ATOM 0 HD12 LEU A 60 -6.068 12.633 0.002 1.00 64.41 H new ATOM 0 HD13 LEU A 60 -5.207 11.604 1.172 1.00 64.41 H new ATOM 0 HD21 LEU A 60 -5.011 9.153 -0.682 1.00 62.43 H new ATOM 0 HD22 LEU A 60 -5.505 9.063 1.026 1.00 62.43 H new ATOM 0 HD23 LEU A 60 -6.563 8.401 -0.243 1.00 62.43 H new ATOM 893 N ARG A 61 -9.647 10.516 3.312 1.00 5.41 N ATOM 894 CA ARG A 61 -10.667 11.136 4.149 1.00 20.12 C ATOM 895 C ARG A 61 -10.202 11.223 5.599 1.00 3.33 C ATOM 896 O ARG A 61 -10.264 12.284 6.220 1.00 34.53 O ATOM 897 CB ARG A 61 -11.974 10.346 4.066 1.00 2.15 C ATOM 898 CG ARG A 61 -13.121 10.982 4.837 1.00 73.34 C ATOM 899 CD ARG A 61 -14.006 9.932 5.487 1.00 53.25 C ATOM 900 NE ARG A 61 -14.052 10.077 6.939 1.00 10.02 N ATOM 901 CZ ARG A 61 -14.754 9.279 7.736 1.00 30.55 C ATOM 902 NH1 ARG A 61 -15.466 8.285 7.225 1.00 72.35 N ATOM 903 NH2 ARG A 61 -14.746 9.477 9.049 1.00 51.43 N ATOM 0 H ARG A 61 -9.950 9.665 2.838 1.00 5.41 H new ATOM 0 HA ARG A 61 -10.838 12.147 3.781 1.00 20.12 H new ATOM 0 HB2 ARG A 61 -12.262 10.246 3.020 1.00 2.15 H new ATOM 0 HB3 ARG A 61 -11.805 9.339 4.448 1.00 2.15 H new ATOM 0 HG2 ARG A 61 -12.721 11.647 5.603 1.00 73.34 H new ATOM 0 HG3 ARG A 61 -13.718 11.595 4.162 1.00 73.34 H new ATOM 0 HD2 ARG A 61 -15.015 10.008 5.083 1.00 53.25 H new ATOM 0 HD3 ARG A 61 -13.636 8.939 5.234 1.00 53.25 H new ATOM 0 HE ARG A 61 -13.516 10.833 7.365 1.00 10.02 H new ATOM 0 HH11 ARG A 61 -15.476 8.131 6.217 1.00 72.35 H new ATOM 0 HH12 ARG A 61 -16.004 7.674 7.840 1.00 72.35 H new ATOM 0 HH21 ARG A 61 -14.201 10.242 9.446 1.00 51.43 H new ATOM 0 HH22 ARG A 61 -15.285 8.864 9.660 1.00 51.43 H new ATOM 917 N LEU A 62 -9.740 10.098 6.134 1.00 0.11 N ATOM 918 CA LEU A 62 -9.265 10.045 7.513 1.00 72.42 C ATOM 919 C LEU A 62 -8.215 11.122 7.769 1.00 42.42 C ATOM 920 O LEU A 62 -8.228 11.783 8.807 1.00 10.42 O ATOM 921 CB LEU A 62 -8.682 8.665 7.819 1.00 11.55 C ATOM 922 CG LEU A 62 -9.268 7.943 9.033 1.00 2.24 C ATOM 923 CD1 LEU A 62 -9.152 8.810 10.277 1.00 5.02 C ATOM 924 CD2 LEU A 62 -10.720 7.564 8.778 1.00 24.02 C ATOM 0 H LEU A 62 -9.684 9.211 5.634 1.00 0.11 H new ATOM 0 HA LEU A 62 -10.114 10.228 8.171 1.00 72.42 H new ATOM 0 HB2 LEU A 62 -8.821 8.032 6.943 1.00 11.55 H new ATOM 0 HB3 LEU A 62 -7.608 8.772 7.968 1.00 11.55 H new ATOM 0 HG LEU A 62 -8.698 7.029 9.198 1.00 2.24 H new ATOM 0 HD11 LEU A 62 -9.574 8.280 11.131 1.00 5.02 H new ATOM 0 HD12 LEU A 62 -8.102 9.031 10.470 1.00 5.02 H new ATOM 0 HD13 LEU A 62 -9.696 9.742 10.123 1.00 5.02 H new ATOM 0 HD21 LEU A 62 -11.121 7.051 9.652 1.00 24.02 H new ATOM 0 HD22 LEU A 62 -11.303 8.465 8.587 1.00 24.02 H new ATOM 0 HD23 LEU A 62 -10.777 6.904 7.912 1.00 24.02 H new ATOM 936 N VAL A 63 -7.307 11.295 6.814 1.00 53.13 N ATOM 937 CA VAL A 63 -6.251 12.294 6.933 1.00 40.51 C ATOM 938 C VAL A 63 -6.834 13.692 7.099 1.00 12.23 C ATOM 939 O VAL A 63 -6.449 14.433 8.004 1.00 71.11 O ATOM 940 CB VAL A 63 -5.322 12.278 5.704 1.00 31.13 C ATOM 941 CG1 VAL A 63 -4.122 13.184 5.932 1.00 54.50 C ATOM 942 CG2 VAL A 63 -4.877 10.858 5.390 1.00 41.50 C ATOM 0 H VAL A 63 -7.281 10.756 5.948 1.00 53.13 H new ATOM 0 HA VAL A 63 -5.671 12.038 7.820 1.00 40.51 H new ATOM 0 HB VAL A 63 -5.876 12.657 4.846 1.00 31.13 H new ATOM 0 HG11 VAL A 63 -3.476 13.161 5.054 1.00 54.50 H new ATOM 0 HG12 VAL A 63 -4.464 14.205 6.104 1.00 54.50 H new ATOM 0 HG13 VAL A 63 -3.564 12.837 6.802 1.00 54.50 H new ATOM 0 HG21 VAL A 63 -4.222 10.866 4.519 1.00 41.50 H new ATOM 0 HG22 VAL A 63 -4.339 10.448 6.245 1.00 41.50 H new ATOM 0 HG23 VAL A 63 -5.751 10.241 5.181 1.00 41.50 H new ATOM 952 N ILE A 64 -7.765 14.047 6.220 1.00 43.25 N ATOM 953 CA ILE A 64 -8.403 15.356 6.271 1.00 64.42 C ATOM 954 C ILE A 64 -9.023 15.614 7.640 1.00 72.23 C ATOM 955 O ILE A 64 -8.989 16.735 8.146 1.00 22.34 O ATOM 956 CB ILE A 64 -9.493 15.493 5.191 1.00 25.43 C ATOM 957 CG1 ILE A 64 -8.888 15.318 3.798 1.00 63.23 C ATOM 958 CG2 ILE A 64 -10.188 16.842 5.309 1.00 63.33 C ATOM 959 CD1 ILE A 64 -7.776 16.298 3.495 1.00 32.11 C ATOM 0 H ILE A 64 -8.094 13.446 5.464 1.00 43.25 H new ATOM 0 HA ILE A 64 -7.623 16.094 6.084 1.00 64.42 H new ATOM 0 HB ILE A 64 -10.235 14.709 5.343 1.00 25.43 H new ATOM 0 HG12 ILE A 64 -8.503 14.303 3.703 1.00 63.23 H new ATOM 0 HG13 ILE A 64 -9.675 15.431 3.052 1.00 63.23 H new ATOM 0 HG21 ILE A 64 -10.956 16.924 4.539 1.00 63.33 H new ATOM 0 HG22 ILE A 64 -10.650 16.929 6.293 1.00 63.33 H new ATOM 0 HG23 ILE A 64 -9.457 17.640 5.180 1.00 63.33 H new ATOM 0 HD11 ILE A 64 -7.394 16.116 2.491 1.00 32.11 H new ATOM 0 HD12 ILE A 64 -8.161 17.316 3.557 1.00 32.11 H new ATOM 0 HD13 ILE A 64 -6.971 16.170 4.218 1.00 32.11 H new ATOM 971 N CYS A 65 -9.586 14.568 8.234 1.00 52.34 N ATOM 972 CA CYS A 65 -10.213 14.680 9.546 1.00 75.13 C ATOM 973 C CYS A 65 -9.193 15.093 10.603 1.00 61.25 C ATOM 974 O CYS A 65 -9.389 16.076 11.318 1.00 21.12 O ATOM 975 CB CYS A 65 -10.862 13.352 9.939 1.00 20.03 C ATOM 976 SG CYS A 65 -12.164 13.508 11.184 1.00 44.04 S ATOM 0 H CYS A 65 -9.621 13.633 7.828 1.00 52.34 H new ATOM 0 HA CYS A 65 -10.982 15.450 9.489 1.00 75.13 H new ATOM 0 HB2 CYS A 65 -11.281 12.886 9.047 1.00 20.03 H new ATOM 0 HB3 CYS A 65 -10.091 12.681 10.317 1.00 20.03 H new ATOM 0 HG CYS A 65 -12.654 12.333 11.449 1.00 44.04 H new ATOM 982 N ASP A 66 -8.105 14.337 10.695 1.00 23.23 N ATOM 983 CA ASP A 66 -7.055 14.624 11.664 1.00 13.34 C ATOM 984 C ASP A 66 -6.452 16.005 11.420 1.00 42.44 C ATOM 985 O ASP A 66 -6.374 16.830 12.330 1.00 64.41 O ATOM 986 CB ASP A 66 -5.961 13.557 11.594 1.00 13.44 C ATOM 987 CG ASP A 66 -6.526 12.158 11.448 1.00 13.45 C ATOM 988 OD1 ASP A 66 -7.515 11.842 12.143 1.00 14.23 O ATOM 989 OD2 ASP A 66 -5.981 11.380 10.638 1.00 2.32 O ATOM 0 H ASP A 66 -7.927 13.521 10.110 1.00 23.23 H new ATOM 0 HA ASP A 66 -7.500 14.612 12.659 1.00 13.34 H new ATOM 0 HB2 ASP A 66 -5.303 13.770 10.751 1.00 13.44 H new ATOM 0 HB3 ASP A 66 -5.350 13.607 12.496 1.00 13.44 H new ATOM 994 N LEU A 67 -6.025 16.247 10.185 1.00 25.14 N ATOM 995 CA LEU A 67 -5.428 17.528 9.820 1.00 42.55 C ATOM 996 C LEU A 67 -6.356 18.683 10.180 1.00 33.13 C ATOM 997 O LEU A 67 -5.902 19.743 10.613 1.00 64.45 O ATOM 998 CB LEU A 67 -5.115 17.558 8.324 1.00 72.34 C ATOM 999 CG LEU A 67 -4.048 16.575 7.841 1.00 61.04 C ATOM 1000 CD1 LEU A 67 -3.847 16.700 6.338 1.00 44.31 C ATOM 1001 CD2 LEU A 67 -2.736 16.807 8.576 1.00 2.33 C ATOM 0 H LEU A 67 -6.081 15.574 9.420 1.00 25.14 H new ATOM 0 HA LEU A 67 -4.501 17.643 10.382 1.00 42.55 H new ATOM 0 HB2 LEU A 67 -6.037 17.361 7.776 1.00 72.34 H new ATOM 0 HB3 LEU A 67 -4.797 18.567 8.060 1.00 72.34 H new ATOM 0 HG LEU A 67 -4.390 15.563 8.059 1.00 61.04 H new ATOM 0 HD11 LEU A 67 -3.084 15.993 6.013 1.00 44.31 H new ATOM 0 HD12 LEU A 67 -4.785 16.483 5.826 1.00 44.31 H new ATOM 0 HD13 LEU A 67 -3.528 17.714 6.097 1.00 44.31 H new ATOM 0 HD21 LEU A 67 -1.989 16.098 8.219 1.00 2.33 H new ATOM 0 HD22 LEU A 67 -2.390 17.824 8.390 1.00 2.33 H new ATOM 0 HD23 LEU A 67 -2.888 16.665 9.646 1.00 2.33 H new ATOM 1013 N GLN A 68 -7.656 18.470 10.003 1.00 73.41 N ATOM 1014 CA GLN A 68 -8.647 19.495 10.310 1.00 12.33 C ATOM 1015 C GLN A 68 -8.596 19.875 11.787 1.00 54.12 C ATOM 1016 O GLN A 68 -8.493 21.052 12.130 1.00 14.43 O ATOM 1017 CB GLN A 68 -10.049 19.003 9.946 1.00 21.44 C ATOM 1018 CG GLN A 68 -11.138 20.036 10.193 1.00 40.40 C ATOM 1019 CD GLN A 68 -11.807 19.866 11.543 1.00 63.01 C ATOM 1020 OE1 GLN A 68 -12.335 18.799 11.856 1.00 4.43 O ATOM 1021 NE2 GLN A 68 -11.789 20.920 12.350 1.00 53.13 N ATOM 0 H GLN A 68 -8.048 17.597 9.649 1.00 73.41 H new ATOM 0 HA GLN A 68 -8.415 20.380 9.717 1.00 12.33 H new ATOM 0 HB2 GLN A 68 -10.063 18.716 8.894 1.00 21.44 H new ATOM 0 HB3 GLN A 68 -10.272 18.106 10.524 1.00 21.44 H new ATOM 0 HG2 GLN A 68 -10.707 21.035 10.128 1.00 40.40 H new ATOM 0 HG3 GLN A 68 -11.890 19.961 9.407 1.00 40.40 H new ATOM 0 HE21 GLN A 68 -11.340 21.785 12.049 1.00 53.13 H new ATOM 0 HE22 GLN A 68 -12.224 20.865 13.271 1.00 53.13 H new ATOM 1030 N GLU A 69 -8.667 18.871 12.655 1.00 44.51 N ATOM 1031 CA GLU A 69 -8.631 19.101 14.094 1.00 54.33 C ATOM 1032 C GLU A 69 -7.412 19.934 14.481 1.00 64.43 C ATOM 1033 O GLU A 69 -7.509 20.858 15.289 1.00 45.52 O ATOM 1034 CB GLU A 69 -8.611 17.768 14.846 1.00 33.33 C ATOM 1035 CG GLU A 69 -9.183 17.854 16.251 1.00 45.34 C ATOM 1036 CD GLU A 69 -10.684 17.641 16.282 1.00 31.44 C ATOM 1037 OE1 GLU A 69 -11.125 16.605 16.821 1.00 40.31 O ATOM 1038 OE2 GLU A 69 -11.417 18.512 15.769 1.00 44.11 O ATOM 0 H GLU A 69 -8.750 17.890 12.387 1.00 44.51 H new ATOM 0 HA GLU A 69 -9.530 19.652 14.371 1.00 54.33 H new ATOM 0 HB2 GLU A 69 -9.177 17.031 14.277 1.00 33.33 H new ATOM 0 HB3 GLU A 69 -7.584 17.407 14.902 1.00 33.33 H new ATOM 0 HG2 GLU A 69 -8.700 17.108 16.882 1.00 45.34 H new ATOM 0 HG3 GLU A 69 -8.949 18.830 16.676 1.00 45.34 H new ATOM 1045 N ARG A 70 -6.265 19.601 13.897 1.00 25.04 N ATOM 1046 CA ARG A 70 -5.028 20.317 14.180 1.00 1.35 C ATOM 1047 C ARG A 70 -5.057 21.716 13.573 1.00 10.03 C ATOM 1048 O ARG A 70 -4.563 22.672 14.169 1.00 24.45 O ATOM 1049 CB ARG A 70 -3.828 19.539 13.638 1.00 53.44 C ATOM 1050 CG ARG A 70 -2.565 19.709 14.467 1.00 24.23 C ATOM 1051 CD ARG A 70 -2.143 18.400 15.115 1.00 51.01 C ATOM 1052 NE ARG A 70 -2.649 18.276 16.479 1.00 31.01 N ATOM 1053 CZ ARG A 70 -2.168 17.411 17.365 1.00 11.30 C ATOM 1054 NH1 ARG A 70 -1.175 16.597 17.031 1.00 3.04 N ATOM 1055 NH2 ARG A 70 -2.681 17.358 18.588 1.00 40.44 N ATOM 0 H ARG A 70 -6.168 18.840 13.225 1.00 25.04 H new ATOM 0 HA ARG A 70 -4.933 20.412 15.262 1.00 1.35 H new ATOM 0 HB2 ARG A 70 -4.083 18.480 13.593 1.00 53.44 H new ATOM 0 HB3 ARG A 70 -3.628 19.862 12.616 1.00 53.44 H new ATOM 0 HG2 ARG A 70 -1.759 20.078 13.833 1.00 24.23 H new ATOM 0 HG3 ARG A 70 -2.733 20.460 15.238 1.00 24.23 H new ATOM 0 HD2 ARG A 70 -2.507 17.565 14.516 1.00 51.01 H new ATOM 0 HD3 ARG A 70 -1.055 18.335 15.125 1.00 51.01 H new ATOM 0 HE ARG A 70 -3.413 18.887 16.767 1.00 31.01 H new ATOM 0 HH11 ARG A 70 -0.779 16.634 16.092 1.00 3.04 H new ATOM 0 HH12 ARG A 70 -0.808 15.934 17.713 1.00 3.04 H new ATOM 0 HH21 ARG A 70 -3.445 17.982 18.848 1.00 40.44 H new ATOM 0 HH22 ARG A 70 -2.311 16.694 19.268 1.00 40.44 H new ATOM 1069 N ARG A 71 -5.639 21.827 12.383 1.00 11.24 N ATOM 1070 CA ARG A 71 -5.731 23.109 11.694 1.00 10.35 C ATOM 1071 C ARG A 71 -6.425 24.148 12.570 1.00 63.02 C ATOM 1072 O ARG A 71 -6.064 25.324 12.556 1.00 20.12 O ATOM 1073 CB ARG A 71 -6.490 22.949 10.375 1.00 35.42 C ATOM 1074 CG ARG A 71 -6.575 24.231 9.564 1.00 25.14 C ATOM 1075 CD ARG A 71 -7.328 24.015 8.260 1.00 54.10 C ATOM 1076 NE ARG A 71 -8.767 24.200 8.421 1.00 11.42 N ATOM 1077 CZ ARG A 71 -9.353 25.391 8.491 1.00 54.41 C ATOM 1078 NH1 ARG A 71 -8.625 26.495 8.414 1.00 32.24 N ATOM 1079 NH2 ARG A 71 -10.668 25.476 8.638 1.00 62.14 N ATOM 0 H ARG A 71 -6.054 21.045 11.876 1.00 11.24 H new ATOM 0 HA ARG A 71 -4.719 23.454 11.484 1.00 10.35 H new ATOM 0 HB2 ARG A 71 -6.002 22.181 9.775 1.00 35.42 H new ATOM 0 HB3 ARG A 71 -7.499 22.595 10.586 1.00 35.42 H new ATOM 0 HG2 ARG A 71 -7.075 25.002 10.151 1.00 25.14 H new ATOM 0 HG3 ARG A 71 -5.570 24.595 9.350 1.00 25.14 H new ATOM 0 HD2 ARG A 71 -6.955 24.710 7.507 1.00 54.10 H new ATOM 0 HD3 ARG A 71 -7.131 23.009 7.890 1.00 54.10 H new ATOM 0 HE ARG A 71 -9.355 23.369 8.483 1.00 11.42 H new ATOM 0 HH11 ARG A 71 -7.613 26.432 8.301 1.00 32.24 H new ATOM 0 HH12 ARG A 71 -9.076 27.408 8.468 1.00 32.24 H new ATOM 0 HH21 ARG A 71 -11.230 24.627 8.697 1.00 62.14 H new ATOM 0 HH22 ARG A 71 -11.117 26.390 8.692 1.00 62.14 H new ATOM 1093 N GLU A 72 -7.422 23.704 13.330 1.00 75.51 N ATOM 1094 CA GLU A 72 -8.166 24.596 14.210 1.00 64.41 C ATOM 1095 C GLU A 72 -7.367 24.904 15.474 1.00 63.51 C ATOM 1096 O GLU A 72 -7.078 26.063 15.772 1.00 21.31 O ATOM 1097 CB GLU A 72 -9.513 23.974 14.584 1.00 61.43 C ATOM 1098 CG GLU A 72 -10.647 24.982 14.667 1.00 14.41 C ATOM 1099 CD GLU A 72 -11.253 25.064 16.055 1.00 74.32 C ATOM 1100 OE1 GLU A 72 -11.567 26.189 16.498 1.00 14.44 O ATOM 1101 OE2 GLU A 72 -11.413 24.006 16.697 1.00 72.12 O ATOM 0 H GLU A 72 -7.732 22.733 13.353 1.00 75.51 H new ATOM 0 HA GLU A 72 -8.341 25.529 13.675 1.00 64.41 H new ATOM 0 HB2 GLU A 72 -9.769 23.212 13.848 1.00 61.43 H new ATOM 0 HB3 GLU A 72 -9.416 23.469 15.545 1.00 61.43 H new ATOM 0 HG2 GLU A 72 -10.276 25.965 14.378 1.00 14.41 H new ATOM 0 HG3 GLU A 72 -11.423 24.711 13.951 1.00 14.41 H new ATOM 1108 N LYS A 73 -7.016 23.859 16.214 1.00 35.30 N ATOM 1109 CA LYS A 73 -6.251 24.015 17.445 1.00 53.13 C ATOM 1110 C LYS A 73 -5.002 24.859 17.206 1.00 3.43 C ATOM 1111 O LYS A 73 -4.629 25.683 18.041 1.00 62.21 O ATOM 1112 CB LYS A 73 -5.855 22.645 18.001 1.00 71.33 C ATOM 1113 CG LYS A 73 -6.348 22.397 19.416 1.00 60.53 C ATOM 1114 CD LYS A 73 -5.710 21.159 20.020 1.00 53.43 C ATOM 1115 CE LYS A 73 -4.815 21.510 21.199 1.00 72.42 C ATOM 1116 NZ LYS A 73 -3.601 22.259 20.769 1.00 31.12 N ATOM 0 H LYS A 73 -7.249 22.893 15.983 1.00 35.30 H new ATOM 0 HA LYS A 73 -6.881 24.527 18.172 1.00 53.13 H new ATOM 0 HB2 LYS A 73 -6.250 21.868 17.346 1.00 71.33 H new ATOM 0 HB3 LYS A 73 -4.769 22.555 17.983 1.00 71.33 H new ATOM 0 HG2 LYS A 73 -6.123 23.264 20.038 1.00 60.53 H new ATOM 0 HG3 LYS A 73 -7.432 22.282 19.410 1.00 60.53 H new ATOM 0 HD2 LYS A 73 -6.489 20.470 20.346 1.00 53.43 H new ATOM 0 HD3 LYS A 73 -5.125 20.642 19.259 1.00 53.43 H new ATOM 0 HE2 LYS A 73 -5.377 22.109 21.916 1.00 72.42 H new ATOM 0 HE3 LYS A 73 -4.515 20.596 21.712 1.00 72.42 H new ATOM 0 HZ1 LYS A 73 -3.017 22.480 21.601 1.00 31.12 H new ATOM 0 HZ2 LYS A 73 -3.052 21.678 20.104 1.00 31.12 H new ATOM 0 HZ3 LYS A 73 -3.886 23.143 20.302 1.00 31.12 H new ATOM 1130 N PHE A 74 -4.361 24.648 16.062 1.00 20.45 N ATOM 1131 CA PHE A 74 -3.155 25.389 15.713 1.00 35.35 C ATOM 1132 C PHE A 74 -3.505 26.707 15.029 1.00 62.52 C ATOM 1133 O PHE A 74 -2.713 27.648 15.027 1.00 34.40 O ATOM 1134 CB PHE A 74 -2.259 24.550 14.800 1.00 21.11 C ATOM 1135 CG PHE A 74 -1.013 25.264 14.359 1.00 2.45 C ATOM 1136 CD1 PHE A 74 -0.695 25.364 13.015 1.00 13.22 C ATOM 1137 CD2 PHE A 74 -0.161 25.836 15.291 1.00 42.35 C ATOM 1138 CE1 PHE A 74 0.451 26.021 12.607 1.00 51.13 C ATOM 1139 CE2 PHE A 74 0.985 26.494 14.888 1.00 54.10 C ATOM 1140 CZ PHE A 74 1.292 26.586 13.544 1.00 15.53 C ATOM 0 H PHE A 74 -4.657 23.969 15.360 1.00 20.45 H new ATOM 0 HA PHE A 74 -2.616 25.610 16.635 1.00 35.35 H new ATOM 0 HB2 PHE A 74 -1.978 23.635 15.322 1.00 21.11 H new ATOM 0 HB3 PHE A 74 -2.828 24.253 13.919 1.00 21.11 H new ATOM 0 HD1 PHE A 74 -1.350 24.924 12.277 1.00 13.22 H new ATOM 0 HD2 PHE A 74 -0.395 25.767 16.343 1.00 42.35 H new ATOM 0 HE1 PHE A 74 0.688 26.092 11.556 1.00 51.13 H new ATOM 0 HE2 PHE A 74 1.641 26.936 15.623 1.00 54.10 H new ATOM 0 HZ PHE A 74 2.188 27.099 13.227 1.00 15.53 H new ATOM 1150 N GLY A 75 -4.699 26.766 14.448 1.00 71.42 N ATOM 1151 CA GLY A 75 -5.134 27.972 13.766 1.00 3.24 C ATOM 1152 C GLY A 75 -4.927 27.898 12.267 1.00 5.22 C ATOM 1153 O GLY A 75 -4.245 27.001 11.771 1.00 72.12 O ATOM 0 H GLY A 75 -5.373 26.001 14.437 1.00 71.42 H new ATOM 0 HA2 GLY A 75 -6.190 28.143 13.976 1.00 3.24 H new ATOM 0 HA3 GLY A 75 -4.587 28.827 14.163 1.00 3.24 H new ATOM 1157 N SER A 76 -5.519 28.841 11.541 1.00 3.43 N ATOM 1158 CA SER A 76 -5.402 28.876 10.089 1.00 51.53 C ATOM 1159 C SER A 76 -3.961 29.149 9.668 1.00 71.22 C ATOM 1160 O SER A 76 -3.217 29.836 10.368 1.00 61.53 O ATOM 1161 CB SER A 76 -6.327 29.945 9.506 1.00 3.40 C ATOM 1162 OG SER A 76 -6.530 29.743 8.118 1.00 54.00 O ATOM 0 H SER A 76 -6.085 29.592 11.936 1.00 3.43 H new ATOM 0 HA SER A 76 -5.698 27.901 9.702 1.00 51.53 H new ATOM 0 HB2 SER A 76 -7.286 29.922 10.024 1.00 3.40 H new ATOM 0 HB3 SER A 76 -5.897 30.933 9.674 1.00 3.40 H new ATOM 0 HG SER A 76 -7.126 30.439 7.770 1.00 54.00 H new ATOM 1168 N SER A 77 -3.574 28.607 8.518 1.00 61.13 N ATOM 1169 CA SER A 77 -2.221 28.788 8.003 1.00 5.11 C ATOM 1170 C SER A 77 -2.104 28.247 6.582 1.00 75.12 C ATOM 1171 O SER A 77 -2.590 27.158 6.277 1.00 44.41 O ATOM 1172 CB SER A 77 -1.210 28.090 8.912 1.00 14.20 C ATOM 1173 OG SER A 77 -1.186 26.693 8.672 1.00 74.40 O ATOM 0 H SER A 77 -4.178 28.039 7.925 1.00 61.13 H new ATOM 0 HA SER A 77 -2.005 29.856 7.985 1.00 5.11 H new ATOM 0 HB2 SER A 77 -0.217 28.508 8.745 1.00 14.20 H new ATOM 0 HB3 SER A 77 -1.464 28.278 9.955 1.00 14.20 H new ATOM 0 HG SER A 77 -0.272 26.358 8.781 1.00 74.40 H new ATOM 1179 N LYS A 78 -1.454 29.016 5.714 1.00 50.11 N ATOM 1180 CA LYS A 78 -1.269 28.615 4.324 1.00 4.31 C ATOM 1181 C LYS A 78 -0.683 27.210 4.236 1.00 14.10 C ATOM 1182 O LYS A 78 -0.967 26.467 3.298 1.00 72.33 O ATOM 1183 CB LYS A 78 -0.355 29.608 3.603 1.00 53.22 C ATOM 1184 CG LYS A 78 -1.107 30.673 2.824 1.00 1.11 C ATOM 1185 CD LYS A 78 -1.042 30.419 1.328 1.00 44.42 C ATOM 1186 CE LYS A 78 -2.179 31.115 0.595 1.00 21.11 C ATOM 1187 NZ LYS A 78 -2.549 30.402 -0.659 1.00 53.24 N ATOM 0 H LYS A 78 -1.046 29.921 5.949 1.00 50.11 H new ATOM 0 HA LYS A 78 -2.245 28.612 3.840 1.00 4.31 H new ATOM 0 HB2 LYS A 78 0.290 30.093 4.336 1.00 53.22 H new ATOM 0 HB3 LYS A 78 0.294 29.061 2.920 1.00 53.22 H new ATOM 0 HG2 LYS A 78 -2.148 30.693 3.146 1.00 1.11 H new ATOM 0 HG3 LYS A 78 -0.686 31.653 3.046 1.00 1.11 H new ATOM 0 HD2 LYS A 78 -0.087 30.772 0.939 1.00 44.42 H new ATOM 0 HD3 LYS A 78 -1.087 29.347 1.138 1.00 44.42 H new ATOM 0 HE2 LYS A 78 -3.049 31.176 1.249 1.00 21.11 H new ATOM 0 HE3 LYS A 78 -1.886 32.138 0.358 1.00 21.11 H new ATOM 0 HZ1 LYS A 78 -3.327 30.907 -1.129 1.00 53.24 H new ATOM 0 HZ2 LYS A 78 -1.726 30.366 -1.294 1.00 53.24 H new ATOM 0 HZ3 LYS A 78 -2.853 29.434 -0.431 1.00 53.24 H new ATOM 1201 N GLU A 79 0.135 26.853 5.222 1.00 52.12 N ATOM 1202 CA GLU A 79 0.761 25.536 5.254 1.00 51.04 C ATOM 1203 C GLU A 79 -0.288 24.438 5.409 1.00 61.24 C ATOM 1204 O GLU A 79 -0.352 23.509 4.603 1.00 65.32 O ATOM 1205 CB GLU A 79 1.772 25.455 6.400 1.00 62.24 C ATOM 1206 CG GLU A 79 3.008 26.311 6.183 1.00 71.43 C ATOM 1207 CD GLU A 79 3.226 27.315 7.299 1.00 3.12 C ATOM 1208 OE1 GLU A 79 3.885 26.957 8.297 1.00 2.13 O ATOM 1209 OE2 GLU A 79 2.738 28.457 7.175 1.00 61.52 O ATOM 0 H GLU A 79 0.379 27.456 6.008 1.00 52.12 H new ATOM 0 HA GLU A 79 1.281 25.387 4.308 1.00 51.04 H new ATOM 0 HB2 GLU A 79 1.285 25.763 7.325 1.00 62.24 H new ATOM 0 HB3 GLU A 79 2.078 24.417 6.531 1.00 62.24 H new ATOM 0 HG2 GLU A 79 3.883 25.666 6.104 1.00 71.43 H new ATOM 0 HG3 GLU A 79 2.916 26.841 5.235 1.00 71.43 H new ATOM 1216 N ILE A 80 -1.107 24.554 6.448 1.00 51.45 N ATOM 1217 CA ILE A 80 -2.154 23.573 6.708 1.00 55.41 C ATOM 1218 C ILE A 80 -3.212 23.593 5.610 1.00 33.11 C ATOM 1219 O ILE A 80 -3.612 22.547 5.099 1.00 32.41 O ATOM 1220 CB ILE A 80 -2.834 23.822 8.067 1.00 71.40 C ATOM 1221 CG1 ILE A 80 -1.812 23.722 9.200 1.00 73.43 C ATOM 1222 CG2 ILE A 80 -3.969 22.831 8.281 1.00 52.32 C ATOM 1223 CD1 ILE A 80 -1.292 22.320 9.424 1.00 44.41 C ATOM 0 H ILE A 80 -1.066 25.317 7.124 1.00 51.45 H new ATOM 0 HA ILE A 80 -1.673 22.595 6.726 1.00 55.41 H new ATOM 0 HB ILE A 80 -3.251 24.829 8.068 1.00 71.40 H new ATOM 0 HG12 ILE A 80 -0.972 24.381 8.980 1.00 73.43 H new ATOM 0 HG13 ILE A 80 -2.268 24.083 10.122 1.00 73.43 H new ATOM 0 HG21 ILE A 80 -4.440 23.020 9.246 1.00 52.32 H new ATOM 0 HG22 ILE A 80 -4.708 22.947 7.488 1.00 52.32 H new ATOM 0 HG23 ILE A 80 -3.574 21.815 8.263 1.00 52.32 H new ATOM 0 HD11 ILE A 80 -0.572 22.325 10.242 1.00 44.41 H new ATOM 0 HD12 ILE A 80 -2.122 21.660 9.676 1.00 44.41 H new ATOM 0 HD13 ILE A 80 -0.807 21.963 8.516 1.00 44.41 H new ATOM 1235 N ASP A 81 -3.660 24.791 5.251 1.00 30.33 N ATOM 1236 CA ASP A 81 -4.670 24.950 4.211 1.00 70.33 C ATOM 1237 C ASP A 81 -4.275 24.189 2.949 1.00 33.24 C ATOM 1238 O ASP A 81 -5.113 23.564 2.302 1.00 40.41 O ATOM 1239 CB ASP A 81 -4.870 26.431 3.887 1.00 45.52 C ATOM 1240 CG ASP A 81 -6.037 27.036 4.643 1.00 71.12 C ATOM 1241 OD1 ASP A 81 -7.031 27.423 3.991 1.00 13.35 O ATOM 1242 OD2 ASP A 81 -5.958 27.122 5.886 1.00 72.22 O ATOM 0 H ASP A 81 -3.340 25.666 5.665 1.00 30.33 H new ATOM 0 HA ASP A 81 -5.608 24.538 4.583 1.00 70.33 H new ATOM 0 HB2 ASP A 81 -3.960 26.979 4.130 1.00 45.52 H new ATOM 0 HB3 ASP A 81 -5.035 26.547 2.816 1.00 45.52 H new ATOM 1247 N MET A 82 -2.992 24.249 2.606 1.00 43.15 N ATOM 1248 CA MET A 82 -2.485 23.565 1.421 1.00 24.21 C ATOM 1249 C MET A 82 -2.540 22.052 1.602 1.00 70.23 C ATOM 1250 O MET A 82 -3.038 21.332 0.737 1.00 64.32 O ATOM 1251 CB MET A 82 -1.050 24.005 1.128 1.00 50.14 C ATOM 1252 CG MET A 82 -0.950 25.401 0.536 1.00 51.25 C ATOM 1253 SD MET A 82 -1.105 25.406 -1.261 1.00 30.45 S ATOM 1254 CE MET A 82 -0.705 27.113 -1.630 1.00 25.33 C ATOM 0 H MET A 82 -2.285 24.764 3.131 1.00 43.15 H new ATOM 0 HA MET A 82 -3.119 23.834 0.576 1.00 24.21 H new ATOM 0 HB2 MET A 82 -0.472 23.969 2.052 1.00 50.14 H new ATOM 0 HB3 MET A 82 -0.594 23.294 0.439 1.00 50.14 H new ATOM 0 HG2 MET A 82 -1.729 26.030 0.966 1.00 51.25 H new ATOM 0 HG3 MET A 82 0.007 25.842 0.816 1.00 51.25 H new ATOM 0 HE1 MET A 82 -0.758 27.275 -2.707 1.00 25.33 H new ATOM 0 HE2 MET A 82 -1.416 27.770 -1.129 1.00 25.33 H new ATOM 0 HE3 MET A 82 0.303 27.335 -1.279 1.00 25.33 H new ATOM 1264 N ALA A 83 -2.025 21.577 2.731 1.00 41.21 N ATOM 1265 CA ALA A 83 -2.018 20.148 3.025 1.00 73.43 C ATOM 1266 C ALA A 83 -3.421 19.560 2.928 1.00 71.51 C ATOM 1267 O ALA A 83 -3.607 18.455 2.417 1.00 71.24 O ATOM 1268 CB ALA A 83 -1.433 19.898 4.407 1.00 12.24 C ATOM 0 H ALA A 83 -1.607 22.159 3.457 1.00 41.21 H new ATOM 0 HA ALA A 83 -1.393 19.652 2.282 1.00 73.43 H new ATOM 0 HB1 ALA A 83 -1.433 18.828 4.614 1.00 12.24 H new ATOM 0 HB2 ALA A 83 -0.411 20.274 4.443 1.00 12.24 H new ATOM 0 HB3 ALA A 83 -2.035 20.413 5.156 1.00 12.24 H new ATOM 1274 N ILE A 84 -4.405 20.305 3.420 1.00 64.21 N ATOM 1275 CA ILE A 84 -5.791 19.856 3.387 1.00 44.30 C ATOM 1276 C ILE A 84 -6.286 19.702 1.953 1.00 3.03 C ATOM 1277 O ILE A 84 -6.716 18.623 1.545 1.00 55.14 O ATOM 1278 CB ILE A 84 -6.718 20.834 4.136 1.00 54.44 C ATOM 1279 CG1 ILE A 84 -6.344 20.890 5.618 1.00 40.41 C ATOM 1280 CG2 ILE A 84 -8.172 20.420 3.966 1.00 52.13 C ATOM 1281 CD1 ILE A 84 -6.595 19.593 6.354 1.00 14.24 C ATOM 0 H ILE A 84 -4.268 21.222 3.846 1.00 64.21 H new ATOM 0 HA ILE A 84 -5.820 18.887 3.885 1.00 44.30 H new ATOM 0 HB ILE A 84 -6.592 21.830 3.711 1.00 54.44 H new ATOM 0 HG12 ILE A 84 -5.290 21.152 5.709 1.00 40.41 H new ATOM 0 HG13 ILE A 84 -6.912 21.687 6.098 1.00 40.41 H new ATOM 0 HG21 ILE A 84 -8.814 21.120 4.500 1.00 52.13 H new ATOM 0 HG22 ILE A 84 -8.431 20.426 2.907 1.00 52.13 H new ATOM 0 HG23 ILE A 84 -8.314 19.417 4.369 1.00 52.13 H new ATOM 0 HD11 ILE A 84 -6.307 19.706 7.399 1.00 14.24 H new ATOM 0 HD12 ILE A 84 -7.654 19.340 6.295 1.00 14.24 H new ATOM 0 HD13 ILE A 84 -6.006 18.797 5.899 1.00 14.24 H new ATOM 1293 N VAL A 85 -6.221 20.789 1.191 1.00 34.11 N ATOM 1294 CA VAL A 85 -6.659 20.775 -0.199 1.00 44.04 C ATOM 1295 C VAL A 85 -5.842 19.786 -1.024 1.00 11.45 C ATOM 1296 O VAL A 85 -6.297 19.297 -2.058 1.00 63.22 O ATOM 1297 CB VAL A 85 -6.546 22.173 -0.838 1.00 45.02 C ATOM 1298 CG1 VAL A 85 -5.091 22.609 -0.915 1.00 42.20 C ATOM 1299 CG2 VAL A 85 -7.189 22.181 -2.217 1.00 73.04 C ATOM 0 H VAL A 85 -5.869 21.691 1.513 1.00 34.11 H new ATOM 0 HA VAL A 85 -7.704 20.467 -0.197 1.00 44.04 H new ATOM 0 HB VAL A 85 -7.080 22.886 -0.210 1.00 45.02 H new ATOM 0 HG11 VAL A 85 -5.031 23.598 -1.369 1.00 42.20 H new ATOM 0 HG12 VAL A 85 -4.668 22.644 0.089 1.00 42.20 H new ATOM 0 HG13 VAL A 85 -4.530 21.897 -1.520 1.00 42.20 H new ATOM 0 HG21 VAL A 85 -7.100 23.176 -2.654 1.00 73.04 H new ATOM 0 HG22 VAL A 85 -6.685 21.457 -2.858 1.00 73.04 H new ATOM 0 HG23 VAL A 85 -8.243 21.916 -2.129 1.00 73.04 H new ATOM 1309 N THR A 86 -4.632 19.492 -0.557 1.00 71.34 N ATOM 1310 CA THR A 86 -3.751 18.562 -1.250 1.00 44.34 C ATOM 1311 C THR A 86 -4.319 17.147 -1.228 1.00 72.32 C ATOM 1312 O THR A 86 -4.500 16.523 -2.275 1.00 12.32 O ATOM 1313 CB THR A 86 -2.344 18.547 -0.624 1.00 3.05 C ATOM 1314 OG1 THR A 86 -1.690 19.799 -0.861 1.00 73.22 O ATOM 1315 CG2 THR A 86 -1.507 17.414 -1.198 1.00 61.41 C ATOM 0 H THR A 86 -4.241 19.885 0.299 1.00 71.34 H new ATOM 0 HA THR A 86 -3.678 18.906 -2.282 1.00 44.34 H new ATOM 0 HB THR A 86 -2.449 18.390 0.449 1.00 3.05 H new ATOM 0 HG1 THR A 86 -2.116 20.498 -0.322 1.00 73.22 H new ATOM 0 HG21 THR A 86 -0.518 17.424 -0.740 1.00 61.41 H new ATOM 0 HG22 THR A 86 -1.993 16.461 -0.990 1.00 61.41 H new ATOM 0 HG23 THR A 86 -1.409 17.544 -2.276 1.00 61.41 H new ATOM 1323 N LEU A 87 -4.599 16.646 -0.031 1.00 1.12 N ATOM 1324 CA LEU A 87 -5.148 15.304 0.128 1.00 44.22 C ATOM 1325 C LEU A 87 -6.542 15.210 -0.483 1.00 65.22 C ATOM 1326 O LEU A 87 -6.956 14.151 -0.954 1.00 44.32 O ATOM 1327 CB LEU A 87 -5.202 14.924 1.609 1.00 53.10 C ATOM 1328 CG LEU A 87 -3.871 14.520 2.246 1.00 23.14 C ATOM 1329 CD1 LEU A 87 -3.540 15.436 3.415 1.00 15.21 C ATOM 1330 CD2 LEU A 87 -3.916 13.068 2.700 1.00 63.34 C ATOM 0 H LEU A 87 -4.455 17.149 0.845 1.00 1.12 H new ATOM 0 HA LEU A 87 -4.493 14.607 -0.396 1.00 44.22 H new ATOM 0 HB2 LEU A 87 -5.607 15.769 2.166 1.00 53.10 H new ATOM 0 HB3 LEU A 87 -5.904 14.098 1.727 1.00 53.10 H new ATOM 0 HG LEU A 87 -3.085 14.621 1.497 1.00 23.14 H new ATOM 0 HD11 LEU A 87 -2.590 15.134 3.856 1.00 15.21 H new ATOM 0 HD12 LEU A 87 -3.465 16.464 3.062 1.00 15.21 H new ATOM 0 HD13 LEU A 87 -4.327 15.367 4.166 1.00 15.21 H new ATOM 0 HD21 LEU A 87 -2.961 12.798 3.151 1.00 63.34 H new ATOM 0 HD22 LEU A 87 -4.712 12.941 3.433 1.00 63.34 H new ATOM 0 HD23 LEU A 87 -4.107 12.424 1.842 1.00 63.34 H new ATOM 1342 N LYS A 88 -7.263 16.327 -0.474 1.00 15.40 N ATOM 1343 CA LYS A 88 -8.610 16.373 -1.030 1.00 14.21 C ATOM 1344 C LYS A 88 -8.571 16.339 -2.555 1.00 11.51 C ATOM 1345 O LYS A 88 -9.039 15.384 -3.176 1.00 72.41 O ATOM 1346 CB LYS A 88 -9.336 17.634 -0.556 1.00 2.03 C ATOM 1347 CG LYS A 88 -9.696 17.610 0.920 1.00 74.40 C ATOM 1348 CD LYS A 88 -10.547 18.809 1.305 1.00 2.43 C ATOM 1349 CE LYS A 88 -10.788 18.861 2.807 1.00 44.54 C ATOM 1350 NZ LYS A 88 -11.182 20.225 3.258 1.00 51.34 N ATOM 0 H LYS A 88 -6.936 17.213 -0.087 1.00 15.40 H new ATOM 0 HA LYS A 88 -9.152 15.495 -0.678 1.00 14.21 H new ATOM 0 HB2 LYS A 88 -8.707 18.502 -0.754 1.00 2.03 H new ATOM 0 HB3 LYS A 88 -10.247 17.761 -1.142 1.00 2.03 H new ATOM 0 HG2 LYS A 88 -10.235 16.691 1.149 1.00 74.40 H new ATOM 0 HG3 LYS A 88 -8.785 17.602 1.518 1.00 74.40 H new ATOM 0 HD2 LYS A 88 -10.053 19.726 0.982 1.00 2.43 H new ATOM 0 HD3 LYS A 88 -11.503 18.761 0.783 1.00 2.43 H new ATOM 0 HE2 LYS A 88 -11.570 18.150 3.074 1.00 44.54 H new ATOM 0 HE3 LYS A 88 -9.883 18.552 3.331 1.00 44.54 H new ATOM 0 HZ1 LYS A 88 -11.156 20.268 4.297 1.00 51.34 H new ATOM 0 HZ2 LYS A 88 -10.520 20.925 2.866 1.00 51.34 H new ATOM 0 HZ3 LYS A 88 -12.145 20.435 2.927 1.00 51.34 H new ATOM 1364 N VAL A 89 -8.010 17.385 -3.151 1.00 33.23 N ATOM 1365 CA VAL A 89 -7.906 17.474 -4.603 1.00 45.02 C ATOM 1366 C VAL A 89 -7.300 16.204 -5.189 1.00 50.31 C ATOM 1367 O VAL A 89 -7.746 15.711 -6.225 1.00 42.51 O ATOM 1368 CB VAL A 89 -7.054 18.683 -5.033 1.00 4.31 C ATOM 1369 CG1 VAL A 89 -6.921 18.730 -6.547 1.00 61.22 C ATOM 1370 CG2 VAL A 89 -7.658 19.975 -4.502 1.00 43.42 C ATOM 0 H VAL A 89 -7.620 18.184 -2.651 1.00 33.23 H new ATOM 0 HA VAL A 89 -8.919 17.600 -4.985 1.00 45.02 H new ATOM 0 HB VAL A 89 -6.056 18.573 -4.608 1.00 4.31 H new ATOM 0 HG11 VAL A 89 -6.316 19.591 -6.833 1.00 61.22 H new ATOM 0 HG12 VAL A 89 -6.441 17.816 -6.899 1.00 61.22 H new ATOM 0 HG13 VAL A 89 -7.910 18.817 -6.997 1.00 61.22 H new ATOM 0 HG21 VAL A 89 -7.044 20.819 -4.815 1.00 43.42 H new ATOM 0 HG22 VAL A 89 -8.667 20.094 -4.897 1.00 43.42 H new ATOM 0 HG23 VAL A 89 -7.697 19.938 -3.413 1.00 43.42 H new ATOM 1380 N PHE A 90 -6.280 15.679 -4.519 1.00 74.14 N ATOM 1381 CA PHE A 90 -5.610 14.465 -4.974 1.00 61.52 C ATOM 1382 C PHE A 90 -6.518 13.251 -4.813 1.00 45.22 C ATOM 1383 O PHE A 90 -6.492 12.330 -5.630 1.00 10.14 O ATOM 1384 CB PHE A 90 -4.310 14.252 -4.195 1.00 23.01 C ATOM 1385 CG PHE A 90 -3.570 13.007 -4.593 1.00 63.14 C ATOM 1386 CD1 PHE A 90 -3.717 11.836 -3.868 1.00 4.22 C ATOM 1387 CD2 PHE A 90 -2.727 13.010 -5.692 1.00 41.24 C ATOM 1388 CE1 PHE A 90 -3.038 10.688 -4.232 1.00 71.34 C ATOM 1389 CE2 PHE A 90 -2.045 11.865 -6.061 1.00 42.33 C ATOM 1390 CZ PHE A 90 -2.200 10.703 -5.330 1.00 21.14 C ATOM 0 H PHE A 90 -5.899 16.074 -3.659 1.00 74.14 H new ATOM 0 HA PHE A 90 -5.376 14.583 -6.032 1.00 61.52 H new ATOM 0 HB2 PHE A 90 -3.661 15.115 -4.345 1.00 23.01 H new ATOM 0 HB3 PHE A 90 -4.537 14.205 -3.130 1.00 23.01 H new ATOM 0 HD1 PHE A 90 -4.370 11.820 -3.008 1.00 4.22 H new ATOM 0 HD2 PHE A 90 -2.601 13.916 -6.267 1.00 41.24 H new ATOM 0 HE1 PHE A 90 -3.163 9.781 -3.659 1.00 71.34 H new ATOM 0 HE2 PHE A 90 -1.391 11.879 -6.921 1.00 42.33 H new ATOM 0 HZ PHE A 90 -1.667 9.808 -5.616 1.00 21.14 H new ATOM 1400 N ALA A 91 -7.321 13.255 -3.754 1.00 74.41 N ATOM 1401 CA ALA A 91 -8.238 12.154 -3.486 1.00 23.43 C ATOM 1402 C ALA A 91 -9.315 12.063 -4.562 1.00 24.03 C ATOM 1403 O ALA A 91 -9.615 10.981 -5.065 1.00 2.30 O ATOM 1404 CB ALA A 91 -8.874 12.320 -2.113 1.00 61.11 C ATOM 0 H ALA A 91 -7.355 14.009 -3.068 1.00 74.41 H new ATOM 0 HA ALA A 91 -7.667 11.226 -3.501 1.00 23.43 H new ATOM 0 HB1 ALA A 91 -9.557 11.491 -1.926 1.00 61.11 H new ATOM 0 HB2 ALA A 91 -8.096 12.329 -1.350 1.00 61.11 H new ATOM 0 HB3 ALA A 91 -9.426 13.259 -2.079 1.00 61.11 H new ATOM 1410 N VAL A 92 -9.896 13.208 -4.910 1.00 63.12 N ATOM 1411 CA VAL A 92 -10.940 13.257 -5.926 1.00 61.01 C ATOM 1412 C VAL A 92 -10.347 13.172 -7.328 1.00 75.22 C ATOM 1413 O VAL A 92 -10.696 12.288 -8.110 1.00 2.14 O ATOM 1414 CB VAL A 92 -11.775 14.546 -5.812 1.00 10.34 C ATOM 1415 CG1 VAL A 92 -12.973 14.492 -6.747 1.00 43.41 C ATOM 1416 CG2 VAL A 92 -12.221 14.764 -4.373 1.00 60.43 C ATOM 0 H VAL A 92 -9.661 14.113 -4.503 1.00 63.12 H new ATOM 0 HA VAL A 92 -11.588 12.397 -5.755 1.00 61.01 H new ATOM 0 HB VAL A 92 -11.152 15.390 -6.109 1.00 10.34 H new ATOM 0 HG11 VAL A 92 -13.550 15.412 -6.652 1.00 43.41 H new ATOM 0 HG12 VAL A 92 -12.627 14.385 -7.775 1.00 43.41 H new ATOM 0 HG13 VAL A 92 -13.601 13.640 -6.485 1.00 43.41 H new ATOM 0 HG21 VAL A 92 -12.810 15.679 -4.309 1.00 60.43 H new ATOM 0 HG22 VAL A 92 -12.828 13.919 -4.048 1.00 60.43 H new ATOM 0 HG23 VAL A 92 -11.345 14.851 -3.730 1.00 60.43 H new ATOM 1426 N ALA A 93 -9.445 14.098 -7.640 1.00 50.52 N ATOM 1427 CA ALA A 93 -8.801 14.127 -8.947 1.00 53.14 C ATOM 1428 C ALA A 93 -7.963 12.872 -9.174 1.00 33.50 C ATOM 1429 O ALA A 93 -7.575 12.568 -10.301 1.00 44.12 O ATOM 1430 CB ALA A 93 -7.937 15.372 -9.082 1.00 73.02 C ATOM 0 H ALA A 93 -9.144 14.837 -7.005 1.00 50.52 H new ATOM 0 HA ALA A 93 -9.581 14.155 -9.708 1.00 53.14 H new ATOM 0 HB1 ALA A 93 -7.462 15.381 -10.063 1.00 73.02 H new ATOM 0 HB2 ALA A 93 -8.559 16.260 -8.972 1.00 73.02 H new ATOM 0 HB3 ALA A 93 -7.170 15.368 -8.308 1.00 73.02 H new ATOM 1436 N GLY A 94 -7.686 12.148 -8.094 1.00 33.54 N ATOM 1437 CA GLY A 94 -6.894 10.936 -8.197 1.00 14.22 C ATOM 1438 C GLY A 94 -7.738 9.682 -8.085 1.00 34.21 C ATOM 1439 O GLY A 94 -7.986 9.000 -9.081 1.00 32.13 O ATOM 0 H GLY A 94 -7.996 12.379 -7.150 1.00 33.54 H new ATOM 0 HA2 GLY A 94 -6.365 10.931 -9.150 1.00 14.22 H new ATOM 0 HA3 GLY A 94 -6.137 10.932 -7.413 1.00 14.22 H new ATOM 1443 N LEU A 95 -8.180 9.374 -6.871 1.00 51.43 N ATOM 1444 CA LEU A 95 -9.000 8.191 -6.632 1.00 62.23 C ATOM 1445 C LEU A 95 -10.282 8.243 -7.457 1.00 5.22 C ATOM 1446 O LEU A 95 -10.617 7.291 -8.164 1.00 21.32 O ATOM 1447 CB LEU A 95 -9.341 8.074 -5.146 1.00 33.13 C ATOM 1448 CG LEU A 95 -8.201 8.370 -4.170 1.00 1.30 C ATOM 1449 CD1 LEU A 95 -8.634 8.086 -2.740 1.00 64.50 C ATOM 1450 CD2 LEU A 95 -6.967 7.553 -4.528 1.00 2.21 C ATOM 0 H LEU A 95 -7.984 9.927 -6.036 1.00 51.43 H new ATOM 0 HA LEU A 95 -8.428 7.315 -6.937 1.00 62.23 H new ATOM 0 HB2 LEU A 95 -10.165 8.754 -4.928 1.00 33.13 H new ATOM 0 HB3 LEU A 95 -9.703 7.064 -4.955 1.00 33.13 H new ATOM 0 HG LEU A 95 -7.948 9.427 -4.247 1.00 1.30 H new ATOM 0 HD11 LEU A 95 -7.810 8.302 -2.060 1.00 64.50 H new ATOM 0 HD12 LEU A 95 -9.488 8.715 -2.487 1.00 64.50 H new ATOM 0 HD13 LEU A 95 -8.915 7.037 -2.647 1.00 64.50 H new ATOM 0 HD21 LEU A 95 -6.166 7.776 -3.823 1.00 2.21 H new ATOM 0 HD22 LEU A 95 -7.207 6.491 -4.480 1.00 2.21 H new ATOM 0 HD23 LEU A 95 -6.643 7.806 -5.538 1.00 2.21 H new ATOM 1462 N LEU A 96 -10.995 9.360 -7.364 1.00 4.55 N ATOM 1463 CA LEU A 96 -12.240 9.536 -8.102 1.00 64.01 C ATOM 1464 C LEU A 96 -11.965 9.783 -9.582 1.00 71.22 C ATOM 1465 O LEU A 96 -12.883 9.789 -10.402 1.00 13.52 O ATOM 1466 CB LEU A 96 -13.041 10.703 -7.521 1.00 11.45 C ATOM 1467 CG LEU A 96 -14.551 10.489 -7.405 1.00 13.35 C ATOM 1468 CD1 LEU A 96 -15.116 11.291 -6.242 1.00 53.44 C ATOM 1469 CD2 LEU A 96 -15.245 10.869 -8.705 1.00 34.02 C ATOM 0 H LEU A 96 -10.732 10.157 -6.785 1.00 4.55 H new ATOM 0 HA LEU A 96 -12.822 8.620 -8.006 1.00 64.01 H new ATOM 0 HB2 LEU A 96 -12.649 10.929 -6.529 1.00 11.45 H new ATOM 0 HB3 LEU A 96 -12.865 11.582 -8.141 1.00 11.45 H new ATOM 0 HG LEU A 96 -14.735 9.432 -7.214 1.00 13.35 H new ATOM 0 HD11 LEU A 96 -16.191 11.126 -6.175 1.00 53.44 H new ATOM 0 HD12 LEU A 96 -14.641 10.971 -5.315 1.00 53.44 H new ATOM 0 HD13 LEU A 96 -14.921 12.351 -6.402 1.00 53.44 H new ATOM 0 HD21 LEU A 96 -16.319 10.710 -8.604 1.00 34.02 H new ATOM 0 HD22 LEU A 96 -15.053 11.919 -8.927 1.00 34.02 H new ATOM 0 HD23 LEU A 96 -14.861 10.250 -9.516 1.00 34.02 H new ATOM 1481 N ASN A 97 -10.695 9.983 -9.917 1.00 32.55 N ATOM 1482 CA ASN A 97 -10.297 10.229 -11.298 1.00 42.44 C ATOM 1483 C ASN A 97 -11.141 11.339 -11.918 1.00 31.32 C ATOM 1484 O ASN A 97 -11.399 11.338 -13.121 1.00 20.41 O ATOM 1485 CB ASN A 97 -10.434 8.948 -12.125 1.00 33.11 C ATOM 1486 CG ASN A 97 -9.530 7.838 -11.623 1.00 52.04 C ATOM 1487 OD1 ASN A 97 -8.314 8.007 -11.530 1.00 43.33 O ATOM 1488 ND2 ASN A 97 -10.123 6.695 -11.297 1.00 31.33 N ATOM 0 H ASN A 97 -9.923 9.980 -9.250 1.00 32.55 H new ATOM 0 HA ASN A 97 -9.254 10.546 -11.299 1.00 42.44 H new ATOM 0 HB2 ASN A 97 -11.470 8.610 -12.098 1.00 33.11 H new ATOM 0 HB3 ASN A 97 -10.196 9.164 -13.167 1.00 33.11 H new ATOM 0 HD21 ASN A 97 -9.567 5.912 -10.953 1.00 31.33 H new ATOM 0 HD22 ASN A 97 -11.134 6.600 -11.390 1.00 31.33 H new ATOM 1495 N MET A 98 -11.567 12.285 -11.087 1.00 42.34 N ATOM 1496 CA MET A 98 -12.380 13.402 -11.554 1.00 32.32 C ATOM 1497 C MET A 98 -11.500 14.532 -12.080 1.00 61.12 C ATOM 1498 O MET A 98 -10.290 14.549 -11.851 1.00 61.30 O ATOM 1499 CB MET A 98 -13.273 13.918 -10.423 1.00 75.24 C ATOM 1500 CG MET A 98 -14.706 14.185 -10.854 1.00 71.14 C ATOM 1501 SD MET A 98 -15.853 14.219 -9.465 1.00 23.01 S ATOM 1502 CE MET A 98 -17.072 15.388 -10.061 1.00 21.23 C ATOM 0 H MET A 98 -11.363 12.300 -10.088 1.00 42.34 H new ATOM 0 HA MET A 98 -13.009 13.046 -12.370 1.00 32.32 H new ATOM 0 HB2 MET A 98 -13.276 13.190 -9.612 1.00 75.24 H new ATOM 0 HB3 MET A 98 -12.845 14.838 -10.024 1.00 75.24 H new ATOM 0 HG2 MET A 98 -14.751 15.138 -11.381 1.00 71.14 H new ATOM 0 HG3 MET A 98 -15.019 13.415 -11.560 1.00 71.14 H new ATOM 0 HE1 MET A 98 -17.851 15.516 -9.310 1.00 21.23 H new ATOM 0 HE2 MET A 98 -16.592 16.348 -10.254 1.00 21.23 H new ATOM 0 HE3 MET A 98 -17.516 15.013 -10.983 1.00 21.23 H new ATOM 1512 N THR A 99 -12.116 15.476 -12.786 1.00 1.03 N ATOM 1513 CA THR A 99 -11.389 16.608 -13.345 1.00 61.30 C ATOM 1514 C THR A 99 -11.624 17.872 -12.526 1.00 23.13 C ATOM 1515 O THR A 99 -12.343 18.775 -12.954 1.00 4.24 O ATOM 1516 CB THR A 99 -11.799 16.873 -14.806 1.00 11.20 C ATOM 1517 OG1 THR A 99 -13.225 16.824 -14.931 1.00 61.14 O ATOM 1518 CG2 THR A 99 -11.168 15.851 -15.740 1.00 11.45 C ATOM 0 H THR A 99 -13.117 15.478 -12.984 1.00 1.03 H new ATOM 0 HA THR A 99 -10.330 16.350 -13.313 1.00 61.30 H new ATOM 0 HB THR A 99 -11.443 17.865 -15.085 1.00 11.20 H new ATOM 0 HG1 THR A 99 -13.630 17.457 -14.302 1.00 61.14 H new ATOM 0 HG21 THR A 99 -11.472 16.059 -16.766 1.00 11.45 H new ATOM 0 HG22 THR A 99 -10.082 15.911 -15.664 1.00 11.45 H new ATOM 0 HG23 THR A 99 -11.497 14.850 -15.460 1.00 11.45 H new ATOM 1526 N VAL A 100 -11.015 17.929 -11.346 1.00 73.12 N ATOM 1527 CA VAL A 100 -11.157 19.084 -10.467 1.00 64.24 C ATOM 1528 C VAL A 100 -10.734 20.367 -11.173 1.00 75.23 C ATOM 1529 O VAL A 100 -9.688 20.416 -11.821 1.00 55.32 O ATOM 1530 CB VAL A 100 -10.323 18.919 -9.184 1.00 53.41 C ATOM 1531 CG1 VAL A 100 -10.621 20.042 -8.204 1.00 21.55 C ATOM 1532 CG2 VAL A 100 -10.588 17.562 -8.547 1.00 61.44 C ATOM 0 H VAL A 100 -10.418 17.189 -10.976 1.00 73.12 H new ATOM 0 HA VAL A 100 -12.212 19.150 -10.200 1.00 64.24 H new ATOM 0 HB VAL A 100 -9.267 18.972 -9.450 1.00 53.41 H new ATOM 0 HG11 VAL A 100 -10.022 19.908 -7.303 1.00 21.55 H new ATOM 0 HG12 VAL A 100 -10.376 21.000 -8.663 1.00 21.55 H new ATOM 0 HG13 VAL A 100 -11.679 20.025 -7.942 1.00 21.55 H new ATOM 0 HG21 VAL A 100 -9.990 17.462 -7.641 1.00 61.44 H new ATOM 0 HG22 VAL A 100 -11.645 17.479 -8.295 1.00 61.44 H new ATOM 0 HG23 VAL A 100 -10.319 16.772 -9.248 1.00 61.44 H new ATOM 1542 N SER A 101 -11.552 21.406 -11.044 1.00 4.22 N ATOM 1543 CA SER A 101 -11.265 22.690 -11.672 1.00 32.41 C ATOM 1544 C SER A 101 -10.161 23.427 -10.919 1.00 73.32 C ATOM 1545 O SER A 101 -9.140 23.800 -11.499 1.00 61.41 O ATOM 1546 CB SER A 101 -12.528 23.552 -11.721 1.00 10.13 C ATOM 1547 OG SER A 101 -13.281 23.286 -12.891 1.00 22.54 O ATOM 0 H SER A 101 -12.420 21.384 -10.509 1.00 4.22 H new ATOM 0 HA SER A 101 -10.924 22.501 -12.690 1.00 32.41 H new ATOM 0 HB2 SER A 101 -13.139 23.358 -10.839 1.00 10.13 H new ATOM 0 HB3 SER A 101 -12.254 24.607 -11.693 1.00 10.13 H new ATOM 0 HG SER A 101 -14.084 23.848 -12.898 1.00 22.54 H new ATOM 1553 N THR A 102 -10.373 23.635 -9.623 1.00 44.11 N ATOM 1554 CA THR A 102 -9.398 24.329 -8.791 1.00 41.43 C ATOM 1555 C THR A 102 -9.269 23.662 -7.426 1.00 22.43 C ATOM 1556 O THR A 102 -10.144 22.904 -7.010 1.00 5.31 O ATOM 1557 CB THR A 102 -9.779 25.808 -8.594 1.00 72.32 C ATOM 1558 OG1 THR A 102 -10.861 25.916 -7.663 1.00 44.44 O ATOM 1559 CG2 THR A 102 -10.176 26.444 -9.918 1.00 22.15 C ATOM 0 H THR A 102 -11.211 23.333 -9.127 1.00 44.11 H new ATOM 0 HA THR A 102 -8.442 24.275 -9.311 1.00 41.43 H new ATOM 0 HB THR A 102 -8.910 26.336 -8.201 1.00 72.32 H new ATOM 0 HG1 THR A 102 -11.096 26.860 -7.542 1.00 44.44 H new ATOM 0 HG21 THR A 102 -10.441 27.489 -9.755 1.00 22.15 H new ATOM 0 HG22 THR A 102 -9.340 26.386 -10.615 1.00 22.15 H new ATOM 0 HG23 THR A 102 -11.032 25.913 -10.334 1.00 22.15 H new ATOM 1567 N ALA A 103 -8.174 23.953 -6.732 1.00 14.14 N ATOM 1568 CA ALA A 103 -7.932 23.385 -5.411 1.00 71.34 C ATOM 1569 C ALA A 103 -9.125 23.612 -4.489 1.00 62.51 C ATOM 1570 O ALA A 103 -9.556 22.703 -3.780 1.00 34.05 O ATOM 1571 CB ALA A 103 -6.671 23.981 -4.803 1.00 21.44 C ATOM 0 H ALA A 103 -7.440 24.579 -7.063 1.00 14.14 H new ATOM 0 HA ALA A 103 -7.794 22.310 -5.525 1.00 71.34 H new ATOM 0 HB1 ALA A 103 -6.503 23.548 -3.817 1.00 21.44 H new ATOM 0 HB2 ALA A 103 -5.818 23.762 -5.446 1.00 21.44 H new ATOM 0 HB3 ALA A 103 -6.787 25.061 -4.710 1.00 21.44 H new ATOM 1577 N ALA A 104 -9.656 24.831 -4.504 1.00 52.14 N ATOM 1578 CA ALA A 104 -10.800 25.176 -3.671 1.00 30.35 C ATOM 1579 C ALA A 104 -12.033 24.375 -4.071 1.00 4.31 C ATOM 1580 O ALA A 104 -12.795 23.923 -3.217 1.00 63.32 O ATOM 1581 CB ALA A 104 -11.086 26.668 -3.760 1.00 25.21 C ATOM 0 H ALA A 104 -9.311 25.596 -5.085 1.00 52.14 H new ATOM 0 HA ALA A 104 -10.555 24.924 -2.639 1.00 30.35 H new ATOM 0 HB1 ALA A 104 -11.943 26.912 -3.133 1.00 25.21 H new ATOM 0 HB2 ALA A 104 -10.215 27.227 -3.417 1.00 25.21 H new ATOM 0 HB3 ALA A 104 -11.305 26.935 -4.794 1.00 25.21 H new ATOM 1587 N ALA A 105 -12.223 24.202 -5.376 1.00 3.34 N ATOM 1588 CA ALA A 105 -13.363 23.453 -5.889 1.00 4.54 C ATOM 1589 C ALA A 105 -13.413 22.050 -5.291 1.00 73.21 C ATOM 1590 O ALA A 105 -14.479 21.561 -4.919 1.00 64.14 O ATOM 1591 CB ALA A 105 -13.307 23.381 -7.407 1.00 44.13 C ATOM 0 H ALA A 105 -11.602 24.571 -6.096 1.00 3.34 H new ATOM 0 HA ALA A 105 -14.273 23.977 -5.595 1.00 4.54 H new ATOM 0 HB1 ALA A 105 -14.165 22.819 -7.776 1.00 44.13 H new ATOM 0 HB2 ALA A 105 -13.329 24.389 -7.820 1.00 44.13 H new ATOM 0 HB3 ALA A 105 -12.387 22.883 -7.714 1.00 44.13 H new ATOM 1597 N ALA A 106 -12.252 21.409 -5.204 1.00 44.23 N ATOM 1598 CA ALA A 106 -12.164 20.063 -4.651 1.00 22.11 C ATOM 1599 C ALA A 106 -12.486 20.060 -3.161 1.00 13.41 C ATOM 1600 O ALA A 106 -13.248 19.219 -2.683 1.00 74.53 O ATOM 1601 CB ALA A 106 -10.779 19.483 -4.896 1.00 51.44 C ATOM 0 H ALA A 106 -11.360 21.800 -5.509 1.00 44.23 H new ATOM 0 HA ALA A 106 -12.902 19.439 -5.156 1.00 22.11 H new ATOM 0 HB1 ALA A 106 -10.726 18.478 -4.478 1.00 51.44 H new ATOM 0 HB2 ALA A 106 -10.587 19.441 -5.968 1.00 51.44 H new ATOM 0 HB3 ALA A 106 -10.030 20.114 -4.417 1.00 51.44 H new ATOM 1607 N GLU A 107 -11.898 21.003 -2.431 1.00 54.33 N ATOM 1608 CA GLU A 107 -12.122 21.106 -0.994 1.00 55.42 C ATOM 1609 C GLU A 107 -13.611 21.225 -0.682 1.00 44.42 C ATOM 1610 O GLU A 107 -14.112 20.600 0.251 1.00 1.54 O ATOM 1611 CB GLU A 107 -11.372 22.312 -0.424 1.00 25.23 C ATOM 1612 CG GLU A 107 -11.737 22.630 1.017 1.00 62.15 C ATOM 1613 CD GLU A 107 -10.559 23.151 1.815 1.00 34.24 C ATOM 1614 OE1 GLU A 107 -9.439 22.630 1.630 1.00 45.14 O ATOM 1615 OE2 GLU A 107 -10.756 24.080 2.627 1.00 75.55 O ATOM 0 H GLU A 107 -11.264 21.706 -2.811 1.00 54.33 H new ATOM 0 HA GLU A 107 -11.743 20.197 -0.527 1.00 55.42 H new ATOM 0 HB2 GLU A 107 -10.300 22.125 -0.486 1.00 25.23 H new ATOM 0 HB3 GLU A 107 -11.580 23.184 -1.044 1.00 25.23 H new ATOM 0 HG2 GLU A 107 -12.536 23.371 1.030 1.00 62.15 H new ATOM 0 HG3 GLU A 107 -12.127 21.732 1.496 1.00 62.15 H new ATOM 1622 N ASN A 108 -14.312 22.032 -1.472 1.00 44.40 N ATOM 1623 CA ASN A 108 -15.744 22.234 -1.280 1.00 74.51 C ATOM 1624 C ASN A 108 -16.514 20.940 -1.528 1.00 63.30 C ATOM 1625 O ASN A 108 -17.362 20.548 -0.727 1.00 54.22 O ATOM 1626 CB ASN A 108 -16.255 23.333 -2.215 1.00 54.44 C ATOM 1627 CG ASN A 108 -17.109 24.355 -1.493 1.00 44.23 C ATOM 1628 OD1 ASN A 108 -17.957 24.003 -0.671 1.00 74.13 O ATOM 1629 ND2 ASN A 108 -16.892 25.629 -1.798 1.00 12.42 N ATOM 0 H ASN A 108 -13.912 22.556 -2.250 1.00 44.40 H new ATOM 0 HA ASN A 108 -15.907 22.540 -0.247 1.00 74.51 H new ATOM 0 HB2 ASN A 108 -15.406 23.835 -2.679 1.00 54.44 H new ATOM 0 HB3 ASN A 108 -16.836 22.881 -3.019 1.00 54.44 H new ATOM 0 HD21 ASN A 108 -17.438 26.362 -1.345 1.00 12.42 H new ATOM 0 HD22 ASN A 108 -16.179 25.875 -2.485 1.00 12.42 H new ATOM 1636 N MET A 109 -16.212 20.283 -2.643 1.00 22.35 N ATOM 1637 CA MET A 109 -16.875 19.032 -2.995 1.00 20.51 C ATOM 1638 C MET A 109 -16.554 17.941 -1.979 1.00 33.34 C ATOM 1639 O MET A 109 -17.374 17.062 -1.719 1.00 2.30 O ATOM 1640 CB MET A 109 -16.451 18.583 -4.395 1.00 23.12 C ATOM 1641 CG MET A 109 -17.140 17.310 -4.859 1.00 61.32 C ATOM 1642 SD MET A 109 -18.885 17.564 -5.239 1.00 52.13 S ATOM 1643 CE MET A 109 -19.652 16.914 -3.758 1.00 32.04 C ATOM 0 H MET A 109 -15.514 20.595 -3.318 1.00 22.35 H new ATOM 0 HA MET A 109 -17.951 19.205 -2.987 1.00 20.51 H new ATOM 0 HB2 MET A 109 -16.666 19.382 -5.105 1.00 23.12 H new ATOM 0 HB3 MET A 109 -15.372 18.428 -4.407 1.00 23.12 H new ATOM 0 HG2 MET A 109 -16.631 16.928 -5.744 1.00 61.32 H new ATOM 0 HG3 MET A 109 -17.048 16.548 -4.085 1.00 61.32 H new ATOM 0 HE1 MET A 109 -20.525 16.321 -4.031 1.00 32.04 H new ATOM 0 HE2 MET A 109 -18.939 16.286 -3.225 1.00 32.04 H new ATOM 0 HE3 MET A 109 -19.960 17.739 -3.116 1.00 32.04 H new ATOM 1653 N TYR A 110 -15.356 18.006 -1.408 1.00 53.34 N ATOM 1654 CA TYR A 110 -14.925 17.021 -0.423 1.00 4.34 C ATOM 1655 C TYR A 110 -15.809 17.072 0.819 1.00 14.15 C ATOM 1656 O TYR A 110 -16.371 16.059 1.238 1.00 73.40 O ATOM 1657 CB TYR A 110 -13.465 17.262 -0.034 1.00 65.21 C ATOM 1658 CG TYR A 110 -12.734 16.005 0.380 1.00 31.12 C ATOM 1659 CD1 TYR A 110 -12.568 15.685 1.722 1.00 61.20 C ATOM 1660 CD2 TYR A 110 -12.207 15.139 -0.569 1.00 63.43 C ATOM 1661 CE1 TYR A 110 -11.900 14.539 2.106 1.00 71.15 C ATOM 1662 CE2 TYR A 110 -11.539 13.990 -0.195 1.00 44.14 C ATOM 1663 CZ TYR A 110 -11.387 13.694 1.143 1.00 5.35 C ATOM 1664 OH TYR A 110 -10.721 12.550 1.520 1.00 62.32 O ATOM 0 H TYR A 110 -14.667 18.730 -1.610 1.00 53.34 H new ATOM 0 HA TYR A 110 -15.015 16.032 -0.872 1.00 4.34 H new ATOM 0 HB2 TYR A 110 -12.943 17.715 -0.877 1.00 65.21 H new ATOM 0 HB3 TYR A 110 -13.430 17.980 0.786 1.00 65.21 H new ATOM 0 HD1 TYR A 110 -12.968 16.344 2.478 1.00 61.20 H new ATOM 0 HD2 TYR A 110 -12.322 15.368 -1.618 1.00 63.43 H new ATOM 0 HE1 TYR A 110 -11.780 14.305 3.154 1.00 71.15 H new ATOM 0 HE2 TYR A 110 -11.138 13.326 -0.947 1.00 44.14 H new ATOM 0 HH TYR A 110 -10.424 12.066 0.721 1.00 62.32 H new ATOM 1674 N SER A 111 -15.928 18.260 1.405 1.00 50.32 N ATOM 1675 CA SER A 111 -16.740 18.444 2.602 1.00 50.03 C ATOM 1676 C SER A 111 -18.227 18.381 2.264 1.00 35.34 C ATOM 1677 O SER A 111 -19.034 17.893 3.055 1.00 33.45 O ATOM 1678 CB SER A 111 -16.412 19.782 3.266 1.00 71.24 C ATOM 1679 OG SER A 111 -17.255 20.813 2.780 1.00 3.24 O ATOM 0 H SER A 111 -15.472 19.109 1.070 1.00 50.32 H new ATOM 0 HA SER A 111 -16.508 17.636 3.296 1.00 50.03 H new ATOM 0 HB2 SER A 111 -16.527 19.693 4.346 1.00 71.24 H new ATOM 0 HB3 SER A 111 -15.370 20.040 3.076 1.00 71.24 H new ATOM 0 HG SER A 111 -17.026 21.658 3.221 1.00 3.24 H new ATOM 1685 N GLN A 112 -18.580 18.881 1.083 1.00 0.52 N ATOM 1686 CA GLN A 112 -19.969 18.882 0.641 1.00 62.21 C ATOM 1687 C GLN A 112 -20.515 17.460 0.551 1.00 73.42 C ATOM 1688 O GLN A 112 -21.695 17.221 0.803 1.00 72.13 O ATOM 1689 CB GLN A 112 -20.093 19.576 -0.717 1.00 50.22 C ATOM 1690 CG GLN A 112 -21.513 19.604 -1.259 1.00 60.15 C ATOM 1691 CD GLN A 112 -22.443 20.455 -0.416 1.00 52.32 C ATOM 1692 OE1 GLN A 112 -22.063 21.524 0.060 1.00 31.42 O ATOM 1693 NE2 GLN A 112 -23.669 19.982 -0.226 1.00 74.33 N ATOM 0 H GLN A 112 -17.924 19.290 0.417 1.00 0.52 H new ATOM 0 HA GLN A 112 -20.557 19.430 1.377 1.00 62.21 H new ATOM 0 HB2 GLN A 112 -19.727 20.599 -0.628 1.00 50.22 H new ATOM 0 HB3 GLN A 112 -19.449 19.069 -1.435 1.00 50.22 H new ATOM 0 HG2 GLN A 112 -21.501 19.987 -2.279 1.00 60.15 H new ATOM 0 HG3 GLN A 112 -21.900 18.586 -1.305 1.00 60.15 H new ATOM 0 HE21 GLN A 112 -23.941 19.090 -0.640 1.00 74.33 H new ATOM 0 HE22 GLN A 112 -24.338 20.510 0.334 1.00 74.33 H new ATOM 1702 N MET A 113 -19.646 16.522 0.189 1.00 41.34 N ATOM 1703 CA MET A 113 -20.041 15.123 0.066 1.00 2.23 C ATOM 1704 C MET A 113 -20.086 14.449 1.434 1.00 23.13 C ATOM 1705 O MET A 113 -20.732 13.417 1.607 1.00 0.41 O ATOM 1706 CB MET A 113 -19.072 14.376 -0.851 1.00 50.24 C ATOM 1707 CG MET A 113 -19.704 13.910 -2.152 1.00 44.44 C ATOM 1708 SD MET A 113 -18.481 13.526 -3.421 1.00 70.53 S ATOM 1709 CE MET A 113 -18.987 11.873 -3.890 1.00 12.31 C ATOM 0 H MET A 113 -18.665 16.704 -0.024 1.00 41.34 H new ATOM 0 HA MET A 113 -21.040 15.090 -0.369 1.00 2.23 H new ATOM 0 HB2 MET A 113 -18.227 15.025 -1.079 1.00 50.24 H new ATOM 0 HB3 MET A 113 -18.675 13.511 -0.319 1.00 50.24 H new ATOM 0 HG2 MET A 113 -20.312 13.026 -1.960 1.00 44.44 H new ATOM 0 HG3 MET A 113 -20.376 14.684 -2.523 1.00 44.44 H new ATOM 0 HE1 MET A 113 -18.324 11.497 -4.670 1.00 12.31 H new ATOM 0 HE2 MET A 113 -18.935 11.216 -3.022 1.00 12.31 H new ATOM 0 HE3 MET A 113 -20.010 11.898 -4.265 1.00 12.31 H new ATOM 1719 N GLY A 114 -19.396 15.041 2.404 1.00 64.31 N ATOM 1720 CA GLY A 114 -19.371 14.483 3.744 1.00 22.32 C ATOM 1721 C GLY A 114 -18.067 13.775 4.052 1.00 3.12 C ATOM 1722 O GLY A 114 -18.002 12.948 4.963 1.00 52.21 O ATOM 0 H GLY A 114 -18.854 15.897 2.286 1.00 64.31 H new ATOM 0 HA2 GLY A 114 -19.528 15.281 4.470 1.00 22.32 H new ATOM 0 HA3 GLY A 114 -20.198 13.782 3.858 1.00 22.32 H new ATOM 1726 N LEU A 115 -17.026 14.098 3.293 1.00 13.21 N ATOM 1727 CA LEU A 115 -15.717 13.486 3.488 1.00 51.40 C ATOM 1728 C LEU A 115 -14.901 14.260 4.520 1.00 44.13 C ATOM 1729 O LEU A 115 -14.094 13.683 5.248 1.00 31.02 O ATOM 1730 CB LEU A 115 -14.957 13.425 2.162 1.00 43.42 C ATOM 1731 CG LEU A 115 -15.609 12.598 1.053 1.00 72.15 C ATOM 1732 CD1 LEU A 115 -15.819 13.446 -0.191 1.00 51.14 C ATOM 1733 CD2 LEU A 115 -14.761 11.376 0.731 1.00 4.22 C ATOM 0 H LEU A 115 -17.063 14.781 2.536 1.00 13.21 H new ATOM 0 HA LEU A 115 -15.870 12.472 3.859 1.00 51.40 H new ATOM 0 HB2 LEU A 115 -14.821 14.443 1.797 1.00 43.42 H new ATOM 0 HB3 LEU A 115 -13.963 13.020 2.354 1.00 43.42 H new ATOM 0 HG LEU A 115 -16.583 12.257 1.404 1.00 72.15 H new ATOM 0 HD11 LEU A 115 -16.284 12.841 -0.970 1.00 51.14 H new ATOM 0 HD12 LEU A 115 -16.467 14.289 0.049 1.00 51.14 H new ATOM 0 HD13 LEU A 115 -14.857 13.817 -0.545 1.00 51.14 H new ATOM 0 HD21 LEU A 115 -15.240 10.799 -0.060 1.00 4.22 H new ATOM 0 HD22 LEU A 115 -13.773 11.696 0.400 1.00 4.22 H new ATOM 0 HD23 LEU A 115 -14.662 10.757 1.623 1.00 4.22 H new