USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 760 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 44 THR OG1 : rot -100:sc= 1.23 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.1 K(o=1.1,f=-2.9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 166:sc= -0.128 (180deg=-0.54) USER MOD Single : A 17 SER OG : rot 143:sc= -0.388 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.0086) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -55:sc= 1.02 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0588) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 74:sc= 0.91 USER MOD Single : A 62 ASN : amide:sc= -0.315 K(o=-0.32,f=-1.2) USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= 1.2 (180deg=0.429) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.876) USER MOD Single : A 75 ASN : amide:sc= -0.676 K(o=-0.68,f=-2.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 88 SER OG : rot -16:sc= 0.862 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00333 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.542 K(o=-0.54,f=-3.4!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -4.07! C(o=-4.1!,f=-1.9!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -3.08! C(o=-3.1!,f=-7.8!) USER MOD Single : A 110 THR OG1 : rot 29:sc= 0.101 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 10 -31.890 14.905 14.828 1.00 28.97 N ATOM 2 CA LYS A 10 -32.490 16.222 15.148 1.00 28.96 C ATOM 3 C LYS A 10 -31.492 17.359 14.938 1.00 28.46 C ATOM 4 O LYS A 10 -31.841 18.530 15.077 1.00 28.51 O ATOM 5 CB LYS A 10 -32.989 16.241 16.593 1.00 29.27 C ATOM 6 CG LYS A 10 -34.148 15.290 16.850 1.00 29.85 C ATOM 7 CD LYS A 10 -34.585 15.314 18.306 1.00 30.10 C ATOM 8 CE LYS A 10 -33.526 14.724 19.224 1.00 30.31 C ATOM 9 NZ LYS A 10 -33.936 14.774 20.650 1.00 30.19 N ATOM 0 HA LYS A 10 -33.329 16.373 14.469 1.00 28.96 H new ATOM 0 HB2 LYS A 10 -32.164 15.983 17.257 1.00 29.27 H new ATOM 0 HB3 LYS A 10 -33.298 17.255 16.848 1.00 29.27 H new ATOM 0 HG2 LYS A 10 -34.990 15.562 16.213 1.00 29.85 H new ATOM 0 HG3 LYS A 10 -33.855 14.277 16.575 1.00 29.85 H new ATOM 0 HD2 LYS A 10 -34.794 16.341 18.606 1.00 30.10 H new ATOM 0 HD3 LYS A 10 -35.514 14.754 18.416 1.00 30.10 H new ATOM 0 HE2 LYS A 10 -33.334 13.690 18.938 1.00 30.31 H new ATOM 0 HE3 LYS A 10 -32.591 15.269 19.096 1.00 30.31 H new ATOM 0 HZ1 LYS A 10 -33.186 14.362 21.241 1.00 30.19 H new ATOM 0 HZ2 LYS A 10 -34.095 15.763 20.931 1.00 30.19 H new ATOM 0 HZ3 LYS A 10 -34.815 14.232 20.778 1.00 30.19 H new ATOM 25 N ALA A 11 -30.254 17.019 14.607 1.00 28.06 N ATOM 26 CA ALA A 11 -29.229 18.026 14.369 1.00 27.64 C ATOM 27 C ALA A 11 -28.410 17.664 13.139 1.00 27.42 C ATOM 28 O ALA A 11 -28.771 16.739 12.410 1.00 27.34 O ATOM 29 CB ALA A 11 -28.332 18.170 15.592 1.00 27.61 C ATOM 0 H ALA A 11 -29.936 16.056 14.497 1.00 28.06 H new ATOM 0 HA ALA A 11 -29.715 18.985 14.188 1.00 27.64 H new ATOM 0 HB1 ALA A 11 -27.571 18.926 15.398 1.00 27.61 H new ATOM 0 HB2 ALA A 11 -28.933 18.471 16.450 1.00 27.61 H new ATOM 0 HB3 ALA A 11 -27.849 17.216 15.804 1.00 27.61 H new ATOM 35 N MET A 12 -27.330 18.398 12.900 1.00 27.42 N ATOM 36 CA MET A 12 -26.432 18.094 11.790 1.00 27.32 C ATOM 37 C MET A 12 -25.892 16.672 11.920 1.00 26.93 C ATOM 38 O MET A 12 -25.268 16.320 12.919 1.00 27.11 O ATOM 39 CB MET A 12 -25.275 19.101 11.725 1.00 27.69 C ATOM 40 CG MET A 12 -24.456 19.198 13.004 1.00 28.00 C ATOM 41 SD MET A 12 -23.004 20.254 12.827 1.00 28.45 S ATOM 42 CE MET A 12 -23.761 21.808 12.354 1.00 28.52 C ATOM 0 H MET A 12 -27.054 19.206 13.458 1.00 27.42 H new ATOM 0 HA MET A 12 -27.000 18.172 10.863 1.00 27.32 H new ATOM 0 HB2 MET A 12 -24.614 18.824 10.904 1.00 27.69 H new ATOM 0 HB3 MET A 12 -25.679 20.086 11.491 1.00 27.69 H new ATOM 0 HG2 MET A 12 -25.086 19.586 13.805 1.00 28.00 H new ATOM 0 HG3 MET A 12 -24.139 18.199 13.303 1.00 28.00 H new ATOM 0 HE1 MET A 12 -23.031 22.612 12.450 1.00 28.52 H new ATOM 0 HE2 MET A 12 -24.101 21.747 11.320 1.00 28.52 H new ATOM 0 HE3 MET A 12 -24.612 22.011 13.004 1.00 28.52 H new ATOM 52 N ALA A 13 -26.160 15.852 10.916 1.00 26.48 N ATOM 53 CA ALA A 13 -25.751 14.458 10.950 1.00 26.15 C ATOM 54 C ALA A 13 -24.766 14.148 9.832 1.00 25.45 C ATOM 55 O ALA A 13 -24.510 12.983 9.527 1.00 25.30 O ATOM 56 CB ALA A 13 -26.965 13.549 10.858 1.00 26.56 C ATOM 0 H ALA A 13 -26.658 16.127 10.069 1.00 26.48 H new ATOM 0 HA ALA A 13 -25.248 14.275 11.900 1.00 26.15 H new ATOM 0 HB1 ALA A 13 -26.643 12.508 10.885 1.00 26.56 H new ATOM 0 HB2 ALA A 13 -27.631 13.745 11.699 1.00 26.56 H new ATOM 0 HB3 ALA A 13 -27.494 13.741 9.924 1.00 26.56 H new ATOM 62 N ASP A 14 -24.229 15.210 9.232 1.00 25.14 N ATOM 63 CA ASP A 14 -23.262 15.103 8.137 1.00 24.56 C ATOM 64 C ASP A 14 -23.900 14.495 6.892 1.00 24.07 C ATOM 65 O ASP A 14 -23.955 13.274 6.742 1.00 23.83 O ATOM 66 CB ASP A 14 -22.027 14.288 8.547 1.00 24.76 C ATOM 67 CG ASP A 14 -21.088 15.056 9.459 1.00 24.73 C ATOM 68 OD1 ASP A 14 -20.354 15.936 8.956 1.00 24.74 O ATOM 69 OD2 ASP A 14 -21.061 14.773 10.675 1.00 24.76 O ATOM 0 H ASP A 14 -24.452 16.171 9.491 1.00 25.14 H new ATOM 0 HA ASP A 14 -22.938 16.117 7.902 1.00 24.56 H new ATOM 0 HB2 ASP A 14 -22.350 13.377 9.051 1.00 24.76 H new ATOM 0 HB3 ASP A 14 -21.486 13.982 7.651 1.00 24.76 H new ATOM 74 N ILE A 15 -24.370 15.366 6.006 1.00 24.03 N ATOM 75 CA ILE A 15 -24.993 14.962 4.747 1.00 23.69 C ATOM 76 C ILE A 15 -26.299 14.207 4.992 1.00 23.12 C ATOM 77 O ILE A 15 -26.313 12.982 5.147 1.00 22.96 O ATOM 78 CB ILE A 15 -24.044 14.098 3.876 1.00 24.09 C ATOM 79 CG1 ILE A 15 -22.718 14.833 3.643 1.00 24.51 C ATOM 80 CG2 ILE A 15 -24.704 13.761 2.542 1.00 24.11 C ATOM 81 CD1 ILE A 15 -21.701 14.029 2.860 1.00 24.99 C ATOM 0 H ILE A 15 -24.330 16.376 6.140 1.00 24.03 H new ATOM 0 HA ILE A 15 -25.211 15.880 4.202 1.00 23.69 H new ATOM 0 HB ILE A 15 -23.839 13.168 4.406 1.00 24.09 H new ATOM 0 HG12 ILE A 15 -22.918 15.764 3.112 1.00 24.51 H new ATOM 0 HG13 ILE A 15 -22.289 15.103 4.608 1.00 24.51 H new ATOM 0 HG21 ILE A 15 -24.025 13.154 1.943 1.00 24.11 H new ATOM 0 HG22 ILE A 15 -25.624 13.205 2.722 1.00 24.11 H new ATOM 0 HG23 ILE A 15 -24.935 14.682 2.007 1.00 24.11 H new ATOM 0 HD11 ILE A 15 -20.791 14.616 2.736 1.00 24.99 H new ATOM 0 HD12 ILE A 15 -21.470 13.110 3.399 1.00 24.99 H new ATOM 0 HD13 ILE A 15 -22.109 13.782 1.880 1.00 24.99 H new ATOM 93 N GLY A 16 -27.395 14.948 5.041 1.00 22.92 N ATOM 94 CA GLY A 16 -28.697 14.332 5.187 1.00 22.49 C ATOM 95 C GLY A 16 -29.236 14.418 6.599 1.00 22.19 C ATOM 96 O GLY A 16 -29.794 13.448 7.116 1.00 21.94 O ATOM 0 H GLY A 16 -27.406 15.966 4.982 1.00 22.92 H new ATOM 0 HA2 GLY A 16 -29.399 14.813 4.506 1.00 22.49 H new ATOM 0 HA3 GLY A 16 -28.633 13.285 4.891 1.00 22.49 H new ATOM 100 N SER A 17 -29.069 15.574 7.225 1.00 22.32 N ATOM 101 CA SER A 17 -29.591 15.798 8.564 1.00 22.21 C ATOM 102 C SER A 17 -31.119 15.781 8.550 1.00 21.88 C ATOM 103 O SER A 17 -31.752 16.698 8.015 1.00 21.88 O ATOM 104 CB SER A 17 -29.081 17.132 9.107 1.00 22.57 C ATOM 105 OG SER A 17 -27.665 17.185 9.051 1.00 22.81 O ATOM 0 H SER A 17 -28.575 16.372 6.826 1.00 22.32 H new ATOM 0 HA SER A 17 -29.243 14.996 9.215 1.00 22.21 H new ATOM 0 HB2 SER A 17 -29.504 17.952 8.527 1.00 22.57 H new ATOM 0 HB3 SER A 17 -29.415 17.263 10.136 1.00 22.57 H new ATOM 0 HG SER A 17 -27.381 18.093 8.817 1.00 22.81 H new ATOM 111 N THR A 18 -31.695 14.720 9.118 1.00 21.72 N ATOM 112 CA THR A 18 -33.147 14.523 9.161 1.00 21.54 C ATOM 113 C THR A 18 -33.705 14.151 7.782 1.00 21.05 C ATOM 114 O THR A 18 -34.375 13.128 7.630 1.00 20.87 O ATOM 115 CB THR A 18 -33.877 15.770 9.710 1.00 21.84 C ATOM 116 OG1 THR A 18 -33.383 16.085 11.022 1.00 22.21 O ATOM 117 CG2 THR A 18 -35.382 15.541 9.777 1.00 22.05 C ATOM 0 H THR A 18 -31.166 13.970 9.563 1.00 21.72 H new ATOM 0 HA THR A 18 -33.330 13.693 9.843 1.00 21.54 H new ATOM 0 HB THR A 18 -33.684 16.601 9.032 1.00 21.84 H new ATOM 0 HG1 THR A 18 -33.847 16.877 11.365 1.00 22.21 H new ATOM 0 HG21 THR A 18 -35.869 16.435 10.167 1.00 22.05 H new ATOM 0 HG22 THR A 18 -35.762 15.327 8.778 1.00 22.05 H new ATOM 0 HG23 THR A 18 -35.593 14.697 10.434 1.00 22.05 H new ATOM 125 N ALA A 19 -33.419 14.973 6.785 1.00 20.95 N ATOM 126 CA ALA A 19 -33.864 14.717 5.427 1.00 20.63 C ATOM 127 C ALA A 19 -32.667 14.487 4.517 1.00 19.91 C ATOM 128 O ALA A 19 -31.739 15.298 4.487 1.00 20.09 O ATOM 129 CB ALA A 19 -34.707 15.879 4.920 1.00 20.90 C ATOM 0 H ALA A 19 -32.876 15.830 6.894 1.00 20.95 H new ATOM 0 HA ALA A 19 -34.480 13.818 5.422 1.00 20.63 H new ATOM 0 HB1 ALA A 19 -35.034 15.674 3.901 1.00 20.90 H new ATOM 0 HB2 ALA A 19 -35.579 16.004 5.562 1.00 20.90 H new ATOM 0 HB3 ALA A 19 -34.113 16.793 4.933 1.00 20.90 H new ATOM 135 N VAL A 20 -32.674 13.379 3.795 1.00 19.19 N ATOM 136 CA VAL A 20 -31.584 13.067 2.884 1.00 18.54 C ATOM 137 C VAL A 20 -31.863 13.665 1.501 1.00 17.80 C ATOM 138 O VAL A 20 -32.878 13.366 0.871 1.00 17.57 O ATOM 139 CB VAL A 20 -31.333 11.540 2.788 1.00 18.50 C ATOM 140 CG1 VAL A 20 -32.573 10.789 2.328 1.00 18.57 C ATOM 141 CG2 VAL A 20 -30.155 11.241 1.875 1.00 18.70 C ATOM 0 H VAL A 20 -33.419 12.683 3.821 1.00 19.19 H new ATOM 0 HA VAL A 20 -30.675 13.516 3.283 1.00 18.54 H new ATOM 0 HB VAL A 20 -31.092 11.189 3.791 1.00 18.50 H new ATOM 0 HG11 VAL A 20 -32.354 9.723 2.274 1.00 18.57 H new ATOM 0 HG12 VAL A 20 -33.384 10.957 3.036 1.00 18.57 H new ATOM 0 HG13 VAL A 20 -32.871 11.148 1.343 1.00 18.57 H new ATOM 0 HG21 VAL A 20 -29.999 10.163 1.824 1.00 18.70 H new ATOM 0 HG22 VAL A 20 -30.362 11.626 0.876 1.00 18.70 H new ATOM 0 HG23 VAL A 20 -29.258 11.719 2.269 1.00 18.70 H new ATOM 151 N PRO A 21 -30.972 14.548 1.022 1.00 17.56 N ATOM 152 CA PRO A 21 -31.160 15.243 -0.252 1.00 17.00 C ATOM 153 C PRO A 21 -30.827 14.373 -1.461 1.00 16.31 C ATOM 154 O PRO A 21 -31.322 14.612 -2.561 1.00 16.23 O ATOM 155 CB PRO A 21 -30.185 16.414 -0.151 1.00 17.18 C ATOM 156 CG PRO A 21 -29.088 15.917 0.726 1.00 17.71 C ATOM 157 CD PRO A 21 -29.723 14.955 1.696 1.00 17.98 C ATOM 0 HA PRO A 21 -32.199 15.536 -0.404 1.00 17.00 H new ATOM 0 HB2 PRO A 21 -29.808 16.701 -1.133 1.00 17.18 H new ATOM 0 HB3 PRO A 21 -30.666 17.294 0.276 1.00 17.18 H new ATOM 0 HG2 PRO A 21 -28.315 15.422 0.138 1.00 17.71 H new ATOM 0 HG3 PRO A 21 -28.609 16.741 1.254 1.00 17.71 H new ATOM 0 HD2 PRO A 21 -29.077 14.099 1.892 1.00 17.98 H new ATOM 0 HD3 PRO A 21 -29.923 15.429 2.657 1.00 17.98 H new ATOM 165 N ARG A 22 -30.002 13.358 -1.250 1.00 15.97 N ATOM 166 CA ARG A 22 -29.547 12.513 -2.341 1.00 15.45 C ATOM 167 C ARG A 22 -29.339 11.082 -1.859 1.00 14.80 C ATOM 168 O ARG A 22 -28.210 10.650 -1.615 1.00 14.66 O ATOM 169 CB ARG A 22 -28.247 13.077 -2.917 1.00 15.71 C ATOM 170 CG ARG A 22 -27.833 12.455 -4.239 1.00 16.01 C ATOM 171 CD ARG A 22 -26.564 13.099 -4.769 1.00 16.48 C ATOM 172 NE ARG A 22 -26.695 14.552 -4.873 1.00 16.97 N ATOM 173 CZ ARG A 22 -25.748 15.356 -5.348 1.00 17.53 C ATOM 174 NH1 ARG A 22 -24.603 14.848 -5.783 1.00 17.68 N ATOM 175 NH2 ARG A 22 -25.955 16.667 -5.387 1.00 18.07 N ATOM 0 H ARG A 22 -29.635 13.101 -0.334 1.00 15.97 H new ATOM 0 HA ARG A 22 -30.308 12.500 -3.121 1.00 15.45 H new ATOM 0 HB2 ARG A 22 -28.359 14.153 -3.053 1.00 15.71 H new ATOM 0 HB3 ARG A 22 -27.447 12.929 -2.192 1.00 15.71 H new ATOM 0 HG2 ARG A 22 -27.674 11.385 -4.108 1.00 16.01 H new ATOM 0 HG3 ARG A 22 -28.636 12.571 -4.967 1.00 16.01 H new ATOM 0 HD2 ARG A 22 -25.730 12.855 -4.110 1.00 16.48 H new ATOM 0 HD3 ARG A 22 -26.328 12.684 -5.749 1.00 16.48 H new ATOM 0 HE ARG A 22 -27.569 14.976 -4.561 1.00 16.97 H new ATOM 0 HH11 ARG A 22 -24.448 13.840 -5.753 1.00 17.68 H new ATOM 0 HH12 ARG A 22 -23.877 15.465 -6.147 1.00 17.68 H new ATOM 0 HH21 ARG A 22 -26.838 17.054 -5.053 1.00 18.07 H new ATOM 0 HH22 ARG A 22 -25.231 17.287 -5.751 1.00 18.07 H new ATOM 189 N ASP A 23 -30.434 10.354 -1.707 1.00 14.57 N ATOM 190 CA ASP A 23 -30.372 8.964 -1.273 1.00 14.10 C ATOM 191 C ASP A 23 -30.052 8.051 -2.448 1.00 13.33 C ATOM 192 O ASP A 23 -30.791 8.010 -3.434 1.00 13.26 O ATOM 193 CB ASP A 23 -31.687 8.536 -0.624 1.00 14.36 C ATOM 194 CG ASP A 23 -31.642 7.104 -0.133 1.00 14.31 C ATOM 195 OD1 ASP A 23 -30.978 6.839 0.890 1.00 14.66 O ATOM 196 OD2 ASP A 23 -32.281 6.234 -0.763 1.00 14.07 O ATOM 0 H ASP A 23 -31.378 10.701 -1.877 1.00 14.57 H new ATOM 0 HA ASP A 23 -29.576 8.879 -0.533 1.00 14.10 H new ATOM 0 HB2 ASP A 23 -31.910 9.198 0.212 1.00 14.36 H new ATOM 0 HB3 ASP A 23 -32.498 8.647 -1.343 1.00 14.36 H new ATOM 201 N VAL A 24 -28.945 7.333 -2.348 1.00 12.93 N ATOM 202 CA VAL A 24 -28.511 6.445 -3.414 1.00 12.36 C ATOM 203 C VAL A 24 -28.198 5.060 -2.867 1.00 11.76 C ATOM 204 O VAL A 24 -28.148 4.861 -1.651 1.00 11.87 O ATOM 205 CB VAL A 24 -27.270 7.001 -4.148 1.00 12.62 C ATOM 206 CG1 VAL A 24 -27.612 8.295 -4.873 1.00 13.03 C ATOM 207 CG2 VAL A 24 -26.115 7.218 -3.181 1.00 12.66 C ATOM 0 H VAL A 24 -28.328 7.348 -1.536 1.00 12.93 H new ATOM 0 HA VAL A 24 -29.332 6.375 -4.128 1.00 12.36 H new ATOM 0 HB VAL A 24 -26.957 6.263 -4.887 1.00 12.62 H new ATOM 0 HG11 VAL A 24 -26.726 8.671 -5.384 1.00 13.03 H new ATOM 0 HG12 VAL A 24 -28.399 8.106 -5.603 1.00 13.03 H new ATOM 0 HG13 VAL A 24 -27.957 9.036 -4.152 1.00 13.03 H new ATOM 0 HG21 VAL A 24 -25.255 7.610 -3.724 1.00 12.66 H new ATOM 0 HG22 VAL A 24 -26.413 7.930 -2.412 1.00 12.66 H new ATOM 0 HG23 VAL A 24 -25.848 6.270 -2.714 1.00 12.66 H new ATOM 217 N ASN A 25 -28.001 4.109 -3.768 1.00 11.34 N ATOM 218 CA ASN A 25 -27.678 2.741 -3.383 1.00 10.98 C ATOM 219 C ASN A 25 -26.324 2.697 -2.694 1.00 10.24 C ATOM 220 O ASN A 25 -25.305 3.030 -3.296 1.00 10.10 O ATOM 221 CB ASN A 25 -27.669 1.823 -4.609 1.00 11.21 C ATOM 222 CG ASN A 25 -29.020 1.739 -5.290 1.00 11.81 C ATOM 223 OD1 ASN A 25 -29.330 2.534 -6.177 1.00 12.05 O ATOM 224 ND2 ASN A 25 -29.831 0.777 -4.884 1.00 12.26 N ATOM 0 H ASN A 25 -28.059 4.259 -4.775 1.00 11.34 H new ATOM 0 HA ASN A 25 -28.443 2.389 -2.690 1.00 10.98 H new ATOM 0 HB2 ASN A 25 -26.929 2.185 -5.323 1.00 11.21 H new ATOM 0 HB3 ASN A 25 -27.357 0.823 -4.306 1.00 11.21 H new ATOM 0 HD21 ASN A 25 -30.752 0.673 -5.309 1.00 12.26 H new ATOM 0 HD22 ASN A 25 -29.535 0.139 -4.145 1.00 12.26 H new ATOM 231 N GLY A 26 -26.319 2.303 -1.432 1.00 9.97 N ATOM 232 CA GLY A 26 -25.090 2.293 -0.665 1.00 9.46 C ATOM 233 C GLY A 26 -25.111 3.337 0.428 1.00 8.91 C ATOM 234 O GLY A 26 -24.232 3.370 1.290 1.00 9.32 O ATOM 0 H GLY A 26 -27.145 1.989 -0.923 1.00 9.97 H new ATOM 0 HA2 GLY A 26 -24.943 1.307 -0.225 1.00 9.46 H new ATOM 0 HA3 GLY A 26 -24.244 2.476 -1.328 1.00 9.46 H new ATOM 238 N GLY A 27 -26.122 4.193 0.387 1.00 8.22 N ATOM 239 CA GLY A 27 -26.280 5.208 1.403 1.00 7.92 C ATOM 240 C GLY A 27 -25.641 6.520 1.010 1.00 7.24 C ATOM 241 O GLY A 27 -26.108 7.197 0.092 1.00 7.44 O ATOM 0 H GLY A 27 -26.839 4.200 -0.338 1.00 8.22 H new ATOM 0 HA2 GLY A 27 -27.342 5.366 1.593 1.00 7.92 H new ATOM 0 HA3 GLY A 27 -25.838 4.857 2.336 1.00 7.92 H new ATOM 245 N THR A 28 -24.575 6.883 1.703 1.00 6.68 N ATOM 246 CA THR A 28 -23.868 8.118 1.421 1.00 6.20 C ATOM 247 C THR A 28 -22.862 7.908 0.291 1.00 5.20 C ATOM 248 O THR A 28 -22.054 6.979 0.355 1.00 4.69 O ATOM 249 CB THR A 28 -23.135 8.627 2.679 1.00 6.38 C ATOM 250 OG1 THR A 28 -23.943 8.383 3.839 1.00 7.30 O ATOM 251 CG2 THR A 28 -22.837 10.120 2.584 1.00 6.46 C ATOM 0 H THR A 28 -24.180 6.336 2.468 1.00 6.68 H new ATOM 0 HA THR A 28 -24.601 8.865 1.115 1.00 6.20 H new ATOM 0 HB THR A 28 -22.190 8.090 2.757 1.00 6.38 H new ATOM 0 HG1 THR A 28 -23.475 8.705 4.637 1.00 7.30 H new ATOM 0 HG21 THR A 28 -22.320 10.446 3.487 1.00 6.46 H new ATOM 0 HG22 THR A 28 -22.206 10.311 1.716 1.00 6.46 H new ATOM 0 HG23 THR A 28 -23.771 10.672 2.482 1.00 6.46 H new ATOM 259 N PRO A 29 -22.920 8.748 -0.764 1.00 5.19 N ATOM 260 CA PRO A 29 -22.109 8.593 -1.988 1.00 4.65 C ATOM 261 C PRO A 29 -20.639 8.162 -1.777 1.00 3.94 C ATOM 262 O PRO A 29 -20.172 7.270 -2.491 1.00 3.63 O ATOM 263 CB PRO A 29 -22.187 9.979 -2.626 1.00 5.36 C ATOM 264 CG PRO A 29 -23.524 10.496 -2.225 1.00 6.10 C ATOM 265 CD PRO A 29 -23.809 9.928 -0.857 1.00 6.06 C ATOM 0 HA PRO A 29 -22.499 7.777 -2.597 1.00 4.65 H new ATOM 0 HB2 PRO A 29 -21.387 10.627 -2.268 1.00 5.36 H new ATOM 0 HB3 PRO A 29 -22.091 9.923 -3.710 1.00 5.36 H new ATOM 0 HG2 PRO A 29 -23.528 11.586 -2.201 1.00 6.10 H new ATOM 0 HG3 PRO A 29 -24.289 10.190 -2.939 1.00 6.10 H new ATOM 0 HD2 PRO A 29 -23.593 10.652 -0.072 1.00 6.06 H new ATOM 0 HD3 PRO A 29 -24.857 9.647 -0.752 1.00 6.06 H new ATOM 273 N PRO A 30 -19.878 8.767 -0.824 1.00 4.03 N ATOM 274 CA PRO A 30 -18.475 8.394 -0.598 1.00 3.72 C ATOM 275 C PRO A 30 -18.337 6.939 -0.149 1.00 2.93 C ATOM 276 O PRO A 30 -18.628 6.598 1.000 1.00 3.11 O ATOM 277 CB PRO A 30 -18.000 9.346 0.507 1.00 4.59 C ATOM 278 CG PRO A 30 -19.014 10.433 0.560 1.00 5.19 C ATOM 279 CD PRO A 30 -20.304 9.820 0.111 1.00 4.85 C ATOM 0 HA PRO A 30 -17.886 8.476 -1.511 1.00 3.72 H new ATOM 0 HB2 PRO A 30 -17.927 8.830 1.465 1.00 4.59 H new ATOM 0 HB3 PRO A 30 -17.010 9.744 0.283 1.00 4.59 H new ATOM 0 HG2 PRO A 30 -19.104 10.833 1.570 1.00 5.19 H new ATOM 0 HG3 PRO A 30 -18.730 11.262 -0.088 1.00 5.19 H new ATOM 0 HD2 PRO A 30 -20.866 9.409 0.949 1.00 4.85 H new ATOM 0 HD3 PRO A 30 -20.948 10.552 -0.376 1.00 4.85 H new ATOM 287 N LYS A 31 -17.888 6.094 -1.062 1.00 2.43 N ATOM 288 CA LYS A 31 -17.794 4.658 -0.819 1.00 1.86 C ATOM 289 C LYS A 31 -16.496 4.301 -0.100 1.00 1.75 C ATOM 290 O LYS A 31 -15.724 3.460 -0.566 1.00 2.40 O ATOM 291 CB LYS A 31 -17.863 3.911 -2.146 1.00 1.79 C ATOM 292 CG LYS A 31 -18.105 2.417 -2.002 1.00 2.09 C ATOM 293 CD LYS A 31 -18.008 1.713 -3.341 1.00 2.78 C ATOM 294 CE LYS A 31 -18.120 0.209 -3.187 1.00 3.33 C ATOM 295 NZ LYS A 31 -17.954 -0.493 -4.485 1.00 3.79 N ATOM 0 H LYS A 31 -17.578 6.380 -1.991 1.00 2.43 H new ATOM 0 HA LYS A 31 -18.628 4.365 -0.182 1.00 1.86 H new ATOM 0 HB2 LYS A 31 -18.660 4.341 -2.752 1.00 1.79 H new ATOM 0 HB3 LYS A 31 -16.930 4.067 -2.688 1.00 1.79 H new ATOM 0 HG2 LYS A 31 -17.376 1.993 -1.312 1.00 2.09 H new ATOM 0 HG3 LYS A 31 -19.091 2.246 -1.569 1.00 2.09 H new ATOM 0 HD2 LYS A 31 -18.798 2.072 -4.000 1.00 2.78 H new ATOM 0 HD3 LYS A 31 -17.059 1.962 -3.816 1.00 2.78 H new ATOM 0 HE2 LYS A 31 -17.363 -0.142 -2.485 1.00 3.33 H new ATOM 0 HE3 LYS A 31 -19.091 -0.041 -2.760 1.00 3.33 H new ATOM 0 HZ1 LYS A 31 -18.037 -1.519 -4.338 1.00 3.79 H new ATOM 0 HZ2 LYS A 31 -18.691 -0.177 -5.147 1.00 3.79 H new ATOM 0 HZ3 LYS A 31 -17.017 -0.275 -4.880 1.00 3.79 H new ATOM 309 N SER A 32 -16.260 4.932 1.035 1.00 1.31 N ATOM 310 CA SER A 32 -15.036 4.706 1.779 1.00 1.17 C ATOM 311 C SER A 32 -15.024 3.322 2.408 1.00 1.24 C ATOM 312 O SER A 32 -16.065 2.760 2.755 1.00 1.38 O ATOM 313 CB SER A 32 -14.850 5.787 2.840 1.00 1.21 C ATOM 314 OG SER A 32 -13.715 5.533 3.651 1.00 1.74 O ATOM 0 H SER A 32 -16.899 5.604 1.461 1.00 1.31 H new ATOM 0 HA SER A 32 -14.200 4.760 1.082 1.00 1.17 H new ATOM 0 HB2 SER A 32 -14.742 6.758 2.356 1.00 1.21 H new ATOM 0 HB3 SER A 32 -15.741 5.840 3.466 1.00 1.21 H new ATOM 0 HG SER A 32 -13.624 6.245 4.319 1.00 1.74 H new ATOM 320 N CYS A 33 -13.826 2.790 2.548 1.00 1.23 N ATOM 321 CA CYS A 33 -13.621 1.450 3.070 1.00 1.36 C ATOM 322 C CYS A 33 -13.777 1.425 4.587 1.00 1.28 C ATOM 323 O CYS A 33 -13.505 2.417 5.266 1.00 1.10 O ATOM 324 CB CYS A 33 -12.232 0.960 2.659 1.00 1.53 C ATOM 325 SG CYS A 33 -10.993 2.293 2.556 1.00 1.70 S ATOM 0 H CYS A 33 -12.963 3.275 2.303 1.00 1.23 H new ATOM 0 HA CYS A 33 -14.377 0.784 2.653 1.00 1.36 H new ATOM 0 HB2 CYS A 33 -11.892 0.213 3.376 1.00 1.53 H new ATOM 0 HB3 CYS A 33 -12.302 0.464 1.691 1.00 1.53 H new ATOM 330 N SER A 34 -14.208 0.279 5.107 1.00 1.54 N ATOM 331 CA SER A 34 -14.521 0.123 6.524 1.00 1.58 C ATOM 332 C SER A 34 -13.261 0.134 7.394 1.00 1.48 C ATOM 333 O SER A 34 -13.338 0.013 8.619 1.00 1.51 O ATOM 334 CB SER A 34 -15.288 -1.180 6.728 1.00 1.95 C ATOM 335 OG SER A 34 -16.381 -1.267 5.826 1.00 2.57 O ATOM 0 H SER A 34 -14.350 -0.568 4.557 1.00 1.54 H new ATOM 0 HA SER A 34 -15.133 0.971 6.832 1.00 1.58 H new ATOM 0 HB2 SER A 34 -14.620 -2.028 6.580 1.00 1.95 H new ATOM 0 HB3 SER A 34 -15.652 -1.237 7.754 1.00 1.95 H new ATOM 0 HG SER A 34 -16.859 -2.110 5.972 1.00 2.57 H new ATOM 341 N SER A 35 -12.109 0.290 6.759 1.00 1.54 N ATOM 342 CA SER A 35 -10.842 0.368 7.464 1.00 1.65 C ATOM 343 C SER A 35 -10.640 1.754 8.068 1.00 1.57 C ATOM 344 O SER A 35 -9.679 1.994 8.803 1.00 1.82 O ATOM 345 CB SER A 35 -9.707 0.042 6.494 1.00 2.00 C ATOM 346 OG SER A 35 -9.885 0.726 5.262 1.00 2.50 O ATOM 0 H SER A 35 -12.028 0.366 5.745 1.00 1.54 H new ATOM 0 HA SER A 35 -10.845 -0.355 8.280 1.00 1.65 H new ATOM 0 HB2 SER A 35 -8.752 0.324 6.937 1.00 2.00 H new ATOM 0 HB3 SER A 35 -9.671 -1.033 6.317 1.00 2.00 H new ATOM 0 HG SER A 35 -9.147 0.505 4.656 1.00 2.50 H new ATOM 352 N GLY A 36 -11.556 2.662 7.753 1.00 1.39 N ATOM 353 CA GLY A 36 -11.447 4.021 8.232 1.00 1.51 C ATOM 354 C GLY A 36 -10.934 4.942 7.150 1.00 1.22 C ATOM 355 O GLY A 36 -11.590 5.099 6.118 1.00 1.35 O ATOM 0 H GLY A 36 -12.374 2.477 7.172 1.00 1.39 H new ATOM 0 HA2 GLY A 36 -12.422 4.367 8.576 1.00 1.51 H new ATOM 0 HA3 GLY A 36 -10.776 4.054 9.090 1.00 1.51 H new ATOM 359 N PRO A 37 -9.770 5.571 7.360 1.00 0.95 N ATOM 360 CA PRO A 37 -9.133 6.407 6.347 1.00 0.92 C ATOM 361 C PRO A 37 -8.858 5.661 5.047 1.00 0.70 C ATOM 362 O PRO A 37 -8.634 4.448 5.032 1.00 0.70 O ATOM 363 CB PRO A 37 -7.803 6.816 6.981 1.00 1.05 C ATOM 364 CG PRO A 37 -7.982 6.627 8.446 1.00 1.05 C ATOM 365 CD PRO A 37 -9.006 5.542 8.618 1.00 0.92 C ATOM 0 HA PRO A 37 -9.779 7.243 6.078 1.00 0.92 H new ATOM 0 HB2 PRO A 37 -6.984 6.203 6.604 1.00 1.05 H new ATOM 0 HB3 PRO A 37 -7.559 7.852 6.747 1.00 1.05 H new ATOM 0 HG2 PRO A 37 -7.040 6.349 8.918 1.00 1.05 H new ATOM 0 HG3 PRO A 37 -8.314 7.552 8.918 1.00 1.05 H new ATOM 0 HD2 PRO A 37 -8.536 4.571 8.777 1.00 0.92 H new ATOM 0 HD3 PRO A 37 -9.647 5.731 9.479 1.00 0.92 H new ATOM 373 N VAL A 38 -8.868 6.414 3.966 1.00 0.59 N ATOM 374 CA VAL A 38 -8.509 5.906 2.655 1.00 0.45 C ATOM 375 C VAL A 38 -7.036 6.214 2.425 1.00 0.36 C ATOM 376 O VAL A 38 -6.448 6.981 3.180 1.00 0.41 O ATOM 377 CB VAL A 38 -9.392 6.559 1.562 1.00 0.41 C ATOM 378 CG1 VAL A 38 -8.987 6.123 0.163 1.00 0.35 C ATOM 379 CG2 VAL A 38 -10.847 6.223 1.806 1.00 0.54 C ATOM 0 H VAL A 38 -9.126 7.401 3.971 1.00 0.59 H new ATOM 0 HA VAL A 38 -8.675 4.830 2.603 1.00 0.45 H new ATOM 0 HB VAL A 38 -9.247 7.637 1.624 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -9.633 6.606 -0.570 1.00 0.35 H new ATOM 0 HG12 VAL A 38 -7.952 6.409 -0.022 1.00 0.35 H new ATOM 0 HG13 VAL A 38 -9.085 5.041 0.076 1.00 0.35 H new ATOM 0 HG21 VAL A 38 -11.462 6.685 1.034 1.00 0.54 H new ATOM 0 HG22 VAL A 38 -10.981 5.142 1.777 1.00 0.54 H new ATOM 0 HG23 VAL A 38 -11.148 6.600 2.783 1.00 0.54 H new ATOM 389 N TYR A 39 -6.417 5.618 1.429 1.00 0.31 N ATOM 390 CA TYR A 39 -5.014 5.888 1.184 1.00 0.28 C ATOM 391 C TYR A 39 -4.778 6.371 -0.232 1.00 0.24 C ATOM 392 O TYR A 39 -5.317 5.837 -1.198 1.00 0.28 O ATOM 393 CB TYR A 39 -4.154 4.663 1.474 1.00 0.33 C ATOM 394 CG TYR A 39 -4.239 4.188 2.909 1.00 0.34 C ATOM 395 CD1 TYR A 39 -3.378 4.688 3.877 1.00 0.53 C ATOM 396 CD2 TYR A 39 -5.181 3.242 3.295 1.00 0.75 C ATOM 397 CE1 TYR A 39 -3.451 4.259 5.189 1.00 0.57 C ATOM 398 CE2 TYR A 39 -5.261 2.808 4.605 1.00 0.78 C ATOM 399 CZ TYR A 39 -4.394 3.318 5.548 1.00 0.46 C ATOM 400 OH TYR A 39 -4.470 2.889 6.853 1.00 0.52 O ATOM 0 H TYR A 39 -6.851 4.956 0.786 1.00 0.31 H new ATOM 0 HA TYR A 39 -4.720 6.684 1.867 1.00 0.28 H new ATOM 0 HB2 TYR A 39 -4.458 3.851 0.813 1.00 0.33 H new ATOM 0 HB3 TYR A 39 -3.115 4.895 1.238 1.00 0.33 H new ATOM 0 HD1 TYR A 39 -2.639 5.425 3.600 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -5.862 2.839 2.560 1.00 0.75 H new ATOM 0 HE1 TYR A 39 -2.773 4.658 5.929 1.00 0.57 H new ATOM 0 HE2 TYR A 39 -5.999 2.073 4.889 1.00 0.78 H new ATOM 0 HH TYR A 39 -5.187 2.227 6.938 1.00 0.52 H new ATOM 410 N CYS A 40 -3.969 7.398 -0.336 1.00 0.22 N ATOM 411 CA CYS A 40 -3.626 7.972 -1.615 1.00 0.22 C ATOM 412 C CYS A 40 -2.190 7.632 -1.967 1.00 0.22 C ATOM 413 O CYS A 40 -1.260 8.116 -1.326 1.00 0.30 O ATOM 414 CB CYS A 40 -3.806 9.483 -1.564 1.00 0.30 C ATOM 415 SG CYS A 40 -3.535 10.309 -3.155 1.00 0.82 S ATOM 0 H CYS A 40 -3.531 7.859 0.462 1.00 0.22 H new ATOM 0 HA CYS A 40 -4.283 7.560 -2.380 1.00 0.22 H new ATOM 0 HB2 CYS A 40 -4.814 9.707 -1.216 1.00 0.30 H new ATOM 0 HB3 CYS A 40 -3.116 9.897 -0.829 1.00 0.30 H new ATOM 420 N CYS A 41 -2.004 6.798 -2.969 1.00 0.18 N ATOM 421 CA CYS A 41 -0.677 6.388 -3.364 1.00 0.21 C ATOM 422 C CYS A 41 -0.346 6.994 -4.702 1.00 0.22 C ATOM 423 O CYS A 41 -1.123 6.907 -5.645 1.00 0.24 O ATOM 424 CB CYS A 41 -0.591 4.863 -3.428 1.00 0.20 C ATOM 425 SG CYS A 41 -1.013 4.033 -1.861 1.00 0.24 S ATOM 0 H CYS A 41 -2.757 6.392 -3.524 1.00 0.18 H new ATOM 0 HA CYS A 41 0.045 6.737 -2.626 1.00 0.21 H new ATOM 0 HB2 CYS A 41 -1.260 4.504 -4.210 1.00 0.20 H new ATOM 0 HB3 CYS A 41 0.420 4.578 -3.718 1.00 0.20 H new ATOM 430 N ASN A 42 0.813 7.623 -4.771 1.00 0.25 N ATOM 431 CA ASN A 42 1.283 8.226 -6.012 1.00 0.30 C ATOM 432 C ASN A 42 1.481 7.148 -7.067 1.00 0.26 C ATOM 433 O ASN A 42 1.588 7.427 -8.261 1.00 0.32 O ATOM 434 CB ASN A 42 2.587 8.976 -5.764 1.00 0.38 C ATOM 435 CG ASN A 42 2.425 10.152 -4.820 1.00 1.21 C ATOM 436 OD1 ASN A 42 3.329 10.469 -4.049 1.00 2.08 O ATOM 437 ND2 ASN A 42 1.287 10.820 -4.886 1.00 1.79 N ATOM 0 H ASN A 42 1.450 7.732 -3.982 1.00 0.25 H new ATOM 0 HA ASN A 42 0.538 8.935 -6.372 1.00 0.30 H new ATOM 0 HB2 ASN A 42 3.324 8.286 -5.353 1.00 0.38 H new ATOM 0 HB3 ASN A 42 2.981 9.333 -6.716 1.00 0.38 H new ATOM 0 HD21 ASN A 42 1.135 11.629 -4.284 1.00 1.79 H new ATOM 0 HD22 ASN A 42 0.560 10.526 -5.539 1.00 1.79 H new ATOM 444 N LYS A 43 1.556 5.914 -6.592 1.00 0.22 N ATOM 445 CA LYS A 43 1.590 4.738 -7.431 1.00 0.20 C ATOM 446 C LYS A 43 1.408 3.511 -6.554 1.00 0.18 C ATOM 447 O LYS A 43 2.002 3.427 -5.482 1.00 0.27 O ATOM 448 CB LYS A 43 2.928 4.650 -8.158 1.00 0.26 C ATOM 449 CG LYS A 43 2.823 4.106 -9.565 1.00 0.80 C ATOM 450 CD LYS A 43 1.895 4.964 -10.402 1.00 1.17 C ATOM 451 CE LYS A 43 2.116 4.738 -11.877 1.00 1.79 C ATOM 452 NZ LYS A 43 1.244 5.609 -12.704 1.00 2.58 N ATOM 0 H LYS A 43 1.595 5.704 -5.595 1.00 0.22 H new ATOM 0 HA LYS A 43 0.792 4.794 -8.172 1.00 0.20 H new ATOM 0 HB2 LYS A 43 3.377 5.643 -8.195 1.00 0.26 H new ATOM 0 HB3 LYS A 43 3.603 4.016 -7.583 1.00 0.26 H new ATOM 0 HG2 LYS A 43 3.811 4.076 -10.024 1.00 0.80 H new ATOM 0 HG3 LYS A 43 2.453 3.081 -9.538 1.00 0.80 H new ATOM 0 HD2 LYS A 43 0.860 4.736 -10.149 1.00 1.17 H new ATOM 0 HD3 LYS A 43 2.057 6.016 -10.165 1.00 1.17 H new ATOM 0 HE2 LYS A 43 3.160 4.931 -12.122 1.00 1.79 H new ATOM 0 HE3 LYS A 43 1.920 3.693 -12.118 1.00 1.79 H new ATOM 0 HZ1 LYS A 43 1.425 5.425 -13.711 1.00 2.58 H new ATOM 0 HZ2 LYS A 43 0.247 5.407 -12.488 1.00 2.58 H new ATOM 0 HZ3 LYS A 43 1.449 6.606 -12.492 1.00 2.58 H new ATOM 466 N THR A 44 0.555 2.591 -6.953 1.00 0.15 N ATOM 467 CA THR A 44 0.530 1.307 -6.286 1.00 0.16 C ATOM 468 C THR A 44 1.398 0.305 -7.021 1.00 0.21 C ATOM 469 O THR A 44 1.600 0.404 -8.232 1.00 0.37 O ATOM 470 CB THR A 44 -0.885 0.749 -6.128 1.00 0.19 C ATOM 471 OG1 THR A 44 -1.571 0.768 -7.382 1.00 0.26 O ATOM 472 CG2 THR A 44 -1.643 1.546 -5.081 1.00 0.21 C ATOM 0 H THR A 44 -0.114 2.702 -7.715 1.00 0.15 H new ATOM 0 HA THR A 44 0.929 1.472 -5.285 1.00 0.16 H new ATOM 0 HB THR A 44 -0.823 -0.287 -5.794 1.00 0.19 H new ATOM 0 HG1 THR A 44 -2.170 1.543 -7.416 1.00 0.26 H new ATOM 0 HG21 THR A 44 -2.650 1.142 -4.975 1.00 0.21 H new ATOM 0 HG22 THR A 44 -1.122 1.479 -4.126 1.00 0.21 H new ATOM 0 HG23 THR A 44 -1.702 2.590 -5.390 1.00 0.21 H new ATOM 480 N GLU A 45 1.912 -0.642 -6.274 1.00 0.14 N ATOM 481 CA GLU A 45 2.820 -1.640 -6.806 1.00 0.19 C ATOM 482 C GLU A 45 2.219 -3.029 -6.616 1.00 0.16 C ATOM 483 O GLU A 45 1.572 -3.293 -5.601 1.00 0.15 O ATOM 484 CB GLU A 45 4.170 -1.527 -6.091 1.00 0.27 C ATOM 485 CG GLU A 45 5.269 -2.383 -6.702 1.00 0.51 C ATOM 486 CD GLU A 45 5.569 -2.019 -8.137 1.00 0.56 C ATOM 487 OE1 GLU A 45 6.408 -1.125 -8.361 1.00 1.12 O ATOM 488 OE2 GLU A 45 4.967 -2.623 -9.049 1.00 1.07 O ATOM 0 H GLU A 45 1.715 -0.746 -5.279 1.00 0.14 H new ATOM 0 HA GLU A 45 2.974 -1.474 -7.872 1.00 0.19 H new ATOM 0 HB2 GLU A 45 4.488 -0.485 -6.101 1.00 0.27 H new ATOM 0 HB3 GLU A 45 4.041 -1.811 -5.047 1.00 0.27 H new ATOM 0 HG2 GLU A 45 6.177 -2.277 -6.108 1.00 0.51 H new ATOM 0 HG3 GLU A 45 4.976 -3.432 -6.652 1.00 0.51 H new ATOM 495 N ASP A 46 2.425 -3.903 -7.594 1.00 0.25 N ATOM 496 CA ASP A 46 1.837 -5.242 -7.566 1.00 0.27 C ATOM 497 C ASP A 46 2.447 -6.069 -6.444 1.00 0.28 C ATOM 498 O ASP A 46 3.599 -6.493 -6.535 1.00 0.34 O ATOM 499 CB ASP A 46 2.030 -5.961 -8.904 1.00 0.40 C ATOM 500 CG ASP A 46 1.357 -5.246 -10.057 1.00 1.08 C ATOM 501 OD1 ASP A 46 0.107 -5.187 -10.084 1.00 1.40 O ATOM 502 OD2 ASP A 46 2.073 -4.728 -10.940 1.00 1.77 O ATOM 0 H ASP A 46 2.995 -3.711 -8.418 1.00 0.25 H new ATOM 0 HA ASP A 46 0.768 -5.130 -7.387 1.00 0.27 H new ATOM 0 HB2 ASP A 46 3.096 -6.052 -9.112 1.00 0.40 H new ATOM 0 HB3 ASP A 46 1.632 -6.973 -8.828 1.00 0.40 H new ATOM 507 N SER A 47 1.656 -6.309 -5.401 1.00 0.28 N ATOM 508 CA SER A 47 2.140 -6.957 -4.179 1.00 0.37 C ATOM 509 C SER A 47 2.497 -8.426 -4.398 1.00 0.49 C ATOM 510 O SER A 47 2.932 -9.113 -3.474 1.00 0.68 O ATOM 511 CB SER A 47 1.092 -6.848 -3.073 1.00 0.48 C ATOM 512 OG SER A 47 -0.030 -7.672 -3.335 1.00 0.92 O ATOM 0 H SER A 47 0.667 -6.062 -5.376 1.00 0.28 H new ATOM 0 HA SER A 47 3.051 -6.436 -3.884 1.00 0.37 H new ATOM 0 HB2 SER A 47 1.538 -7.131 -2.119 1.00 0.48 H new ATOM 0 HB3 SER A 47 0.769 -5.811 -2.978 1.00 0.48 H new ATOM 0 HG SER A 47 -0.398 -7.453 -4.217 1.00 0.92 H new ATOM 518 N LYS A 48 2.307 -8.910 -5.610 1.00 0.43 N ATOM 519 CA LYS A 48 2.587 -10.299 -5.907 1.00 0.54 C ATOM 520 C LYS A 48 4.082 -10.502 -6.102 1.00 0.67 C ATOM 521 O LYS A 48 4.661 -11.461 -5.595 1.00 0.90 O ATOM 522 CB LYS A 48 1.815 -10.749 -7.147 1.00 0.52 C ATOM 523 CG LYS A 48 0.318 -10.530 -7.037 1.00 0.55 C ATOM 524 CD LYS A 48 -0.295 -11.310 -5.881 1.00 1.39 C ATOM 525 CE LYS A 48 -0.145 -12.813 -6.058 1.00 2.18 C ATOM 526 NZ LYS A 48 -0.752 -13.564 -4.929 1.00 2.77 N ATOM 0 H LYS A 48 1.962 -8.365 -6.400 1.00 0.43 H new ATOM 0 HA LYS A 48 2.261 -10.909 -5.064 1.00 0.54 H new ATOM 0 HB2 LYS A 48 2.191 -10.209 -8.016 1.00 0.52 H new ATOM 0 HB3 LYS A 48 2.008 -11.807 -7.322 1.00 0.52 H new ATOM 0 HG2 LYS A 48 0.117 -9.467 -6.903 1.00 0.55 H new ATOM 0 HG3 LYS A 48 -0.161 -10.830 -7.969 1.00 0.55 H new ATOM 0 HD2 LYS A 48 0.180 -11.007 -4.948 1.00 1.39 H new ATOM 0 HD3 LYS A 48 -1.352 -11.060 -5.796 1.00 1.39 H new ATOM 0 HE2 LYS A 48 -0.616 -13.118 -6.993 1.00 2.18 H new ATOM 0 HE3 LYS A 48 0.912 -13.066 -6.136 1.00 2.18 H new ATOM 0 HZ1 LYS A 48 -0.630 -14.585 -5.086 1.00 2.77 H new ATOM 0 HZ2 LYS A 48 -0.286 -13.292 -4.040 1.00 2.77 H new ATOM 0 HZ3 LYS A 48 -1.766 -13.342 -4.870 1.00 2.77 H new ATOM 540 N HIS A 49 4.705 -9.587 -6.836 1.00 0.61 N ATOM 541 CA HIS A 49 6.124 -9.661 -7.117 1.00 0.79 C ATOM 542 C HIS A 49 6.710 -8.257 -7.155 1.00 0.60 C ATOM 543 O HIS A 49 7.051 -7.738 -8.220 1.00 0.62 O ATOM 544 CB HIS A 49 6.369 -10.363 -8.453 1.00 1.05 C ATOM 545 CG HIS A 49 5.859 -11.772 -8.506 1.00 1.41 C ATOM 546 ND1 HIS A 49 6.528 -12.840 -7.949 1.00 1.95 N ATOM 547 CD2 HIS A 49 4.719 -12.279 -9.031 1.00 1.48 C ATOM 548 CE1 HIS A 49 5.823 -13.940 -8.128 1.00 2.33 C ATOM 549 NE2 HIS A 49 4.720 -13.627 -8.781 1.00 2.03 N ATOM 0 H HIS A 49 4.239 -8.779 -7.249 1.00 0.61 H new ATOM 0 HA HIS A 49 6.610 -10.236 -6.329 1.00 0.79 H new ATOM 0 HB2 HIS A 49 5.895 -9.786 -9.247 1.00 1.05 H new ATOM 0 HB3 HIS A 49 7.440 -10.367 -8.658 1.00 1.05 H new ATOM 0 HD2 HIS A 49 3.951 -11.725 -9.550 1.00 1.48 H new ATOM 0 HE1 HIS A 49 6.101 -14.929 -7.796 1.00 2.33 H new ATOM 0 HE2 HIS A 49 3.987 -14.281 -9.055 1.00 2.03 H new ATOM 558 N LEU A 50 6.792 -7.645 -5.983 1.00 0.50 N ATOM 559 CA LEU A 50 7.306 -6.295 -5.836 1.00 0.37 C ATOM 560 C LEU A 50 8.701 -6.139 -6.421 1.00 0.36 C ATOM 561 O LEU A 50 9.476 -7.093 -6.500 1.00 0.44 O ATOM 562 CB LEU A 50 7.360 -5.913 -4.357 1.00 0.40 C ATOM 563 CG LEU A 50 6.017 -5.731 -3.648 1.00 0.45 C ATOM 564 CD1 LEU A 50 5.095 -4.844 -4.453 1.00 1.04 C ATOM 565 CD2 LEU A 50 5.365 -7.063 -3.343 1.00 1.16 C ATOM 0 H LEU A 50 6.502 -8.074 -5.104 1.00 0.50 H new ATOM 0 HA LEU A 50 6.627 -5.640 -6.382 1.00 0.37 H new ATOM 0 HB2 LEU A 50 7.924 -6.681 -3.827 1.00 0.40 H new ATOM 0 HB3 LEU A 50 7.923 -4.984 -4.265 1.00 0.40 H new ATOM 0 HG LEU A 50 6.212 -5.237 -2.696 1.00 0.45 H new ATOM 0 HD11 LEU A 50 4.147 -4.731 -3.926 1.00 1.04 H new ATOM 0 HD12 LEU A 50 5.556 -3.865 -4.585 1.00 1.04 H new ATOM 0 HD13 LEU A 50 4.916 -5.295 -5.429 1.00 1.04 H new ATOM 0 HD21 LEU A 50 4.413 -6.895 -2.839 1.00 1.16 H new ATOM 0 HD22 LEU A 50 5.193 -7.605 -4.273 1.00 1.16 H new ATOM 0 HD23 LEU A 50 6.019 -7.649 -2.697 1.00 1.16 H new ATOM 577 N ASP A 51 8.999 -4.913 -6.819 1.00 0.36 N ATOM 578 CA ASP A 51 10.331 -4.535 -7.270 1.00 0.44 C ATOM 579 C ASP A 51 11.330 -4.772 -6.149 1.00 0.37 C ATOM 580 O ASP A 51 10.944 -4.735 -4.980 1.00 0.35 O ATOM 581 CB ASP A 51 10.327 -3.053 -7.641 1.00 0.59 C ATOM 582 CG ASP A 51 11.584 -2.603 -8.359 1.00 1.01 C ATOM 583 OD1 ASP A 51 12.618 -2.400 -7.686 1.00 1.81 O ATOM 584 OD2 ASP A 51 11.535 -2.413 -9.593 1.00 1.28 O ATOM 0 H ASP A 51 8.323 -4.149 -6.839 1.00 0.36 H new ATOM 0 HA ASP A 51 10.611 -5.133 -8.137 1.00 0.44 H new ATOM 0 HB2 ASP A 51 9.464 -2.848 -8.274 1.00 0.59 H new ATOM 0 HB3 ASP A 51 10.205 -2.461 -6.734 1.00 0.59 H new ATOM 589 N LYS A 52 12.592 -5.013 -6.474 1.00 0.38 N ATOM 590 CA LYS A 52 13.604 -5.194 -5.441 1.00 0.36 C ATOM 591 C LYS A 52 13.640 -3.992 -4.511 1.00 0.30 C ATOM 592 O LYS A 52 13.726 -4.141 -3.293 1.00 0.30 O ATOM 593 CB LYS A 52 14.983 -5.403 -6.033 1.00 0.47 C ATOM 594 CG LYS A 52 15.157 -6.744 -6.717 1.00 1.21 C ATOM 595 CD LYS A 52 16.623 -7.099 -6.811 1.00 2.20 C ATOM 596 CE LYS A 52 16.841 -8.478 -7.415 1.00 2.80 C ATOM 597 NZ LYS A 52 16.322 -8.577 -8.805 1.00 3.23 N ATOM 0 H LYS A 52 12.937 -5.087 -7.431 1.00 0.38 H new ATOM 0 HA LYS A 52 13.329 -6.087 -4.880 1.00 0.36 H new ATOM 0 HB2 LYS A 52 15.183 -4.609 -6.753 1.00 0.47 H new ATOM 0 HB3 LYS A 52 15.726 -5.310 -5.241 1.00 0.47 H new ATOM 0 HG2 LYS A 52 14.624 -7.515 -6.161 1.00 1.21 H new ATOM 0 HG3 LYS A 52 14.719 -6.710 -7.715 1.00 1.21 H new ATOM 0 HD2 LYS A 52 17.138 -6.353 -7.417 1.00 2.20 H new ATOM 0 HD3 LYS A 52 17.068 -7.065 -5.817 1.00 2.20 H new ATOM 0 HE2 LYS A 52 17.906 -8.709 -7.411 1.00 2.80 H new ATOM 0 HE3 LYS A 52 16.350 -9.226 -6.793 1.00 2.80 H new ATOM 0 HZ1 LYS A 52 16.598 -9.492 -9.214 1.00 3.23 H new ATOM 0 HZ2 LYS A 52 15.285 -8.501 -8.795 1.00 3.23 H new ATOM 0 HZ3 LYS A 52 16.720 -7.807 -9.380 1.00 3.23 H new ATOM 611 N GLY A 53 13.535 -2.804 -5.096 1.00 0.34 N ATOM 612 CA GLY A 53 13.575 -1.582 -4.322 1.00 0.31 C ATOM 613 C GLY A 53 12.443 -1.498 -3.322 1.00 0.27 C ATOM 614 O GLY A 53 12.627 -1.014 -2.208 1.00 0.25 O ATOM 0 H GLY A 53 13.422 -2.668 -6.101 1.00 0.34 H new ATOM 0 HA2 GLY A 53 14.527 -1.519 -3.795 1.00 0.31 H new ATOM 0 HA3 GLY A 53 13.526 -0.726 -4.995 1.00 0.31 H new ATOM 618 N THR A 54 11.276 -1.989 -3.713 1.00 0.27 N ATOM 619 CA THR A 54 10.115 -1.973 -2.839 1.00 0.25 C ATOM 620 C THR A 54 10.162 -3.151 -1.879 1.00 0.20 C ATOM 621 O THR A 54 9.865 -3.010 -0.690 1.00 0.17 O ATOM 622 CB THR A 54 8.800 -2.009 -3.644 1.00 0.29 C ATOM 623 OG1 THR A 54 8.808 -0.965 -4.628 1.00 0.36 O ATOM 624 CG2 THR A 54 7.594 -1.846 -2.725 1.00 0.25 C ATOM 0 H THR A 54 11.109 -2.403 -4.630 1.00 0.27 H new ATOM 0 HA THR A 54 10.141 -1.042 -2.273 1.00 0.25 H new ATOM 0 HB THR A 54 8.724 -2.977 -4.139 1.00 0.29 H new ATOM 0 HG1 THR A 54 7.972 -0.991 -5.139 1.00 0.36 H new ATOM 0 HG21 THR A 54 6.679 -1.875 -3.317 1.00 0.25 H new ATOM 0 HG22 THR A 54 7.580 -2.656 -1.996 1.00 0.25 H new ATOM 0 HG23 THR A 54 7.660 -0.890 -2.205 1.00 0.25 H new ATOM 632 N THR A 55 10.554 -4.305 -2.401 1.00 0.22 N ATOM 633 CA THR A 55 10.786 -5.482 -1.580 1.00 0.21 C ATOM 634 C THR A 55 11.762 -5.147 -0.459 1.00 0.19 C ATOM 635 O THR A 55 11.647 -5.654 0.657 1.00 0.19 O ATOM 636 CB THR A 55 11.349 -6.640 -2.428 1.00 0.26 C ATOM 637 OG1 THR A 55 10.410 -7.003 -3.447 1.00 0.30 O ATOM 638 CG2 THR A 55 11.667 -7.849 -1.564 1.00 0.29 C ATOM 0 H THR A 55 10.719 -4.450 -3.397 1.00 0.22 H new ATOM 0 HA THR A 55 9.833 -5.796 -1.153 1.00 0.21 H new ATOM 0 HB THR A 55 12.275 -6.300 -2.893 1.00 0.26 H new ATOM 0 HG1 THR A 55 10.408 -6.319 -4.148 1.00 0.30 H new ATOM 0 HG21 THR A 55 12.062 -8.649 -2.190 1.00 0.29 H new ATOM 0 HG22 THR A 55 12.409 -7.575 -0.814 1.00 0.29 H new ATOM 0 HG23 THR A 55 10.759 -8.191 -1.068 1.00 0.29 H new ATOM 646 N ALA A 56 12.712 -4.278 -0.774 1.00 0.19 N ATOM 647 CA ALA A 56 13.672 -3.783 0.200 1.00 0.20 C ATOM 648 C ALA A 56 12.984 -3.136 1.401 1.00 0.18 C ATOM 649 O ALA A 56 13.262 -3.502 2.541 1.00 0.20 O ATOM 650 CB ALA A 56 14.608 -2.791 -0.464 1.00 0.23 C ATOM 0 H ALA A 56 12.838 -3.897 -1.712 1.00 0.19 H new ATOM 0 HA ALA A 56 14.242 -4.635 0.571 1.00 0.20 H new ATOM 0 HB1 ALA A 56 15.326 -2.422 0.268 1.00 0.23 H new ATOM 0 HB2 ALA A 56 15.140 -3.282 -1.279 1.00 0.23 H new ATOM 0 HB3 ALA A 56 14.031 -1.955 -0.860 1.00 0.23 H new ATOM 656 N LEU A 57 12.084 -2.183 1.144 1.00 0.16 N ATOM 657 CA LEU A 57 11.390 -1.474 2.226 1.00 0.15 C ATOM 658 C LEU A 57 10.585 -2.452 3.054 1.00 0.14 C ATOM 659 O LEU A 57 10.577 -2.401 4.283 1.00 0.16 O ATOM 660 CB LEU A 57 10.430 -0.407 1.703 1.00 0.18 C ATOM 661 CG LEU A 57 11.026 0.727 0.872 1.00 0.22 C ATOM 662 CD1 LEU A 57 12.542 0.776 0.980 1.00 0.23 C ATOM 663 CD2 LEU A 57 10.599 0.578 -0.571 1.00 0.24 C ATOM 0 H LEU A 57 11.819 -1.885 0.205 1.00 0.16 H new ATOM 0 HA LEU A 57 12.162 -0.990 2.824 1.00 0.15 H new ATOM 0 HB2 LEU A 57 9.670 -0.904 1.099 1.00 0.18 H new ATOM 0 HB3 LEU A 57 9.919 0.035 2.558 1.00 0.18 H new ATOM 0 HG LEU A 57 10.648 1.670 1.267 1.00 0.22 H new ATOM 0 HD11 LEU A 57 12.924 1.597 0.373 1.00 0.23 H new ATOM 0 HD12 LEU A 57 12.828 0.930 2.020 1.00 0.23 H new ATOM 0 HD13 LEU A 57 12.963 -0.164 0.624 1.00 0.23 H new ATOM 0 HD21 LEU A 57 11.025 1.388 -1.162 1.00 0.24 H new ATOM 0 HD22 LEU A 57 10.952 -0.378 -0.958 1.00 0.24 H new ATOM 0 HD23 LEU A 57 9.512 0.616 -0.634 1.00 0.24 H new ATOM 675 N LEU A 58 9.894 -3.332 2.355 1.00 0.12 N ATOM 676 CA LEU A 58 9.097 -4.359 2.996 1.00 0.13 C ATOM 677 C LEU A 58 9.984 -5.239 3.857 1.00 0.15 C ATOM 678 O LEU A 58 9.642 -5.558 4.991 1.00 0.18 O ATOM 679 CB LEU A 58 8.390 -5.193 1.937 1.00 0.15 C ATOM 680 CG LEU A 58 7.613 -4.380 0.896 1.00 0.15 C ATOM 681 CD1 LEU A 58 7.033 -5.294 -0.161 1.00 0.17 C ATOM 682 CD2 LEU A 58 6.505 -3.577 1.557 1.00 0.18 C ATOM 0 H LEU A 58 9.869 -3.355 1.336 1.00 0.12 H new ATOM 0 HA LEU A 58 8.348 -3.890 3.634 1.00 0.13 H new ATOM 0 HB2 LEU A 58 9.130 -5.805 1.422 1.00 0.15 H new ATOM 0 HB3 LEU A 58 7.701 -5.877 2.433 1.00 0.15 H new ATOM 0 HG LEU A 58 8.306 -3.686 0.420 1.00 0.15 H new ATOM 0 HD11 LEU A 58 6.484 -4.701 -0.893 1.00 0.17 H new ATOM 0 HD12 LEU A 58 7.840 -5.831 -0.660 1.00 0.17 H new ATOM 0 HD13 LEU A 58 6.357 -6.009 0.308 1.00 0.17 H new ATOM 0 HD21 LEU A 58 5.967 -3.008 0.799 1.00 0.18 H new ATOM 0 HD22 LEU A 58 5.815 -4.255 2.060 1.00 0.18 H new ATOM 0 HD23 LEU A 58 6.937 -2.892 2.286 1.00 0.18 H new ATOM 694 N GLY A 59 11.129 -5.615 3.304 1.00 0.16 N ATOM 695 CA GLY A 59 12.108 -6.378 4.048 1.00 0.21 C ATOM 696 C GLY A 59 12.626 -5.644 5.280 1.00 0.22 C ATOM 697 O GLY A 59 12.946 -6.275 6.287 1.00 0.26 O ATOM 0 H GLY A 59 11.398 -5.402 2.343 1.00 0.16 H new ATOM 0 HA2 GLY A 59 11.665 -7.325 4.356 1.00 0.21 H new ATOM 0 HA3 GLY A 59 12.947 -6.617 3.395 1.00 0.21 H new ATOM 701 N LEU A 60 12.705 -4.311 5.202 1.00 0.20 N ATOM 702 CA LEU A 60 13.150 -3.491 6.337 1.00 0.23 C ATOM 703 C LEU A 60 12.232 -3.696 7.527 1.00 0.22 C ATOM 704 O LEU A 60 12.668 -3.801 8.672 1.00 0.31 O ATOM 705 CB LEU A 60 13.145 -1.997 5.978 1.00 0.24 C ATOM 706 CG LEU A 60 13.990 -1.598 4.772 1.00 0.28 C ATOM 707 CD1 LEU A 60 14.090 -0.086 4.671 1.00 0.34 C ATOM 708 CD2 LEU A 60 15.361 -2.231 4.872 1.00 0.34 C ATOM 0 H LEU A 60 12.467 -3.777 4.366 1.00 0.20 H new ATOM 0 HA LEU A 60 14.165 -3.802 6.584 1.00 0.23 H new ATOM 0 HB2 LEU A 60 12.115 -1.691 5.793 1.00 0.24 H new ATOM 0 HB3 LEU A 60 13.494 -1.434 6.844 1.00 0.24 H new ATOM 0 HG LEU A 60 13.509 -1.961 3.864 1.00 0.28 H new ATOM 0 HD11 LEU A 60 14.696 0.182 3.805 1.00 0.34 H new ATOM 0 HD12 LEU A 60 13.092 0.338 4.560 1.00 0.34 H new ATOM 0 HD13 LEU A 60 14.554 0.309 5.575 1.00 0.34 H new ATOM 0 HD21 LEU A 60 15.959 -1.942 4.008 1.00 0.34 H new ATOM 0 HD22 LEU A 60 15.853 -1.892 5.784 1.00 0.34 H new ATOM 0 HD23 LEU A 60 15.260 -3.316 4.897 1.00 0.34 H new ATOM 720 N LEU A 61 10.953 -3.742 7.225 1.00 0.19 N ATOM 721 CA LEU A 61 9.916 -3.894 8.238 1.00 0.23 C ATOM 722 C LEU A 61 9.591 -5.365 8.465 1.00 0.27 C ATOM 723 O LEU A 61 8.802 -5.713 9.343 1.00 0.36 O ATOM 724 CB LEU A 61 8.671 -3.142 7.792 1.00 0.24 C ATOM 725 CG LEU A 61 8.917 -1.681 7.423 1.00 0.22 C ATOM 726 CD1 LEU A 61 8.006 -1.268 6.290 1.00 0.26 C ATOM 727 CD2 LEU A 61 8.699 -0.777 8.622 1.00 0.27 C ATOM 0 H LEU A 61 10.596 -3.676 6.272 1.00 0.19 H new ATOM 0 HA LEU A 61 10.276 -3.482 9.181 1.00 0.23 H new ATOM 0 HB2 LEU A 61 8.240 -3.654 6.932 1.00 0.24 H new ATOM 0 HB3 LEU A 61 7.931 -3.183 8.591 1.00 0.24 H new ATOM 0 HG LEU A 61 9.953 -1.581 7.101 1.00 0.22 H new ATOM 0 HD11 LEU A 61 8.191 -0.224 6.036 1.00 0.26 H new ATOM 0 HD12 LEU A 61 8.202 -1.893 5.419 1.00 0.26 H new ATOM 0 HD13 LEU A 61 6.967 -1.388 6.596 1.00 0.26 H new ATOM 0 HD21 LEU A 61 8.880 0.259 8.335 1.00 0.27 H new ATOM 0 HD22 LEU A 61 7.673 -0.882 8.975 1.00 0.27 H new ATOM 0 HD23 LEU A 61 9.387 -1.058 9.419 1.00 0.27 H new ATOM 739 N ASN A 62 10.204 -6.211 7.641 1.00 0.24 N ATOM 740 CA ASN A 62 10.055 -7.666 7.719 1.00 0.30 C ATOM 741 C ASN A 62 8.650 -8.087 7.296 1.00 0.28 C ATOM 742 O ASN A 62 8.059 -9.011 7.854 1.00 0.34 O ATOM 743 CB ASN A 62 10.381 -8.187 9.121 1.00 0.41 C ATOM 744 CG ASN A 62 10.518 -9.699 9.167 1.00 1.11 C ATOM 745 OD1 ASN A 62 10.952 -10.329 8.199 1.00 1.89 O ATOM 746 ND2 ASN A 62 10.145 -10.292 10.290 1.00 1.87 N ATOM 0 H ASN A 62 10.825 -5.905 6.892 1.00 0.24 H new ATOM 0 HA ASN A 62 10.770 -8.111 7.028 1.00 0.30 H new ATOM 0 HB2 ASN A 62 11.309 -7.731 9.467 1.00 0.41 H new ATOM 0 HB3 ASN A 62 9.597 -7.876 9.811 1.00 0.41 H new ATOM 0 HD21 ASN A 62 10.211 -11.306 10.378 1.00 1.87 H new ATOM 0 HD22 ASN A 62 9.791 -9.735 11.068 1.00 1.87 H new ATOM 753 N ILE A 63 8.115 -7.393 6.306 1.00 0.23 N ATOM 754 CA ILE A 63 6.824 -7.735 5.739 1.00 0.24 C ATOM 755 C ILE A 63 6.965 -8.926 4.803 1.00 0.24 C ATOM 756 O ILE A 63 7.985 -9.089 4.134 1.00 0.23 O ATOM 757 CB ILE A 63 6.231 -6.534 4.976 1.00 0.22 C ATOM 758 CG1 ILE A 63 6.039 -5.368 5.939 1.00 0.24 C ATOM 759 CG2 ILE A 63 4.909 -6.901 4.311 1.00 0.26 C ATOM 760 CD1 ILE A 63 5.877 -4.045 5.244 1.00 0.22 C ATOM 0 H ILE A 63 8.560 -6.582 5.876 1.00 0.23 H new ATOM 0 HA ILE A 63 6.148 -7.997 6.553 1.00 0.24 H new ATOM 0 HB ILE A 63 6.925 -6.243 4.188 1.00 0.22 H new ATOM 0 HG12 ILE A 63 5.161 -5.556 6.557 1.00 0.24 H new ATOM 0 HG13 ILE A 63 6.896 -5.315 6.611 1.00 0.24 H new ATOM 0 HG21 ILE A 63 4.515 -6.034 3.781 1.00 0.26 H new ATOM 0 HG22 ILE A 63 5.071 -7.715 3.605 1.00 0.26 H new ATOM 0 HG23 ILE A 63 4.194 -7.216 5.071 1.00 0.26 H new ATOM 0 HD11 ILE A 63 5.744 -3.258 5.986 1.00 0.22 H new ATOM 0 HD12 ILE A 63 6.765 -3.836 4.648 1.00 0.22 H new ATOM 0 HD13 ILE A 63 5.003 -4.081 4.593 1.00 0.22 H new ATOM 772 N LYS A 64 5.938 -9.750 4.767 1.00 0.29 N ATOM 773 CA LYS A 64 5.944 -10.947 3.954 1.00 0.31 C ATOM 774 C LYS A 64 5.301 -10.669 2.599 1.00 0.29 C ATOM 775 O LYS A 64 4.121 -10.334 2.513 1.00 0.31 O ATOM 776 CB LYS A 64 5.217 -12.092 4.682 1.00 0.41 C ATOM 777 CG LYS A 64 3.844 -11.728 5.240 1.00 0.87 C ATOM 778 CD LYS A 64 3.925 -11.080 6.616 1.00 0.85 C ATOM 779 CE LYS A 64 2.544 -10.725 7.148 1.00 1.65 C ATOM 780 NZ LYS A 64 1.656 -11.914 7.231 1.00 2.22 N ATOM 0 H LYS A 64 5.079 -9.609 5.299 1.00 0.29 H new ATOM 0 HA LYS A 64 6.977 -11.252 3.786 1.00 0.31 H new ATOM 0 HB2 LYS A 64 5.103 -12.928 3.992 1.00 0.41 H new ATOM 0 HB3 LYS A 64 5.846 -12.439 5.502 1.00 0.41 H new ATOM 0 HG2 LYS A 64 3.344 -11.047 4.551 1.00 0.87 H new ATOM 0 HG3 LYS A 64 3.231 -12.627 5.301 1.00 0.87 H new ATOM 0 HD2 LYS A 64 4.420 -11.759 7.310 1.00 0.85 H new ATOM 0 HD3 LYS A 64 4.537 -10.180 6.560 1.00 0.85 H new ATOM 0 HE2 LYS A 64 2.641 -10.275 8.136 1.00 1.65 H new ATOM 0 HE3 LYS A 64 2.088 -9.976 6.500 1.00 1.65 H new ATOM 0 HZ1 LYS A 64 1.023 -11.818 8.050 1.00 2.22 H new ATOM 0 HZ2 LYS A 64 1.089 -11.986 6.362 1.00 2.22 H new ATOM 0 HZ3 LYS A 64 2.234 -12.772 7.339 1.00 2.22 H new ATOM 794 N ILE A 65 6.093 -10.821 1.547 1.00 0.26 N ATOM 795 CA ILE A 65 5.661 -10.500 0.189 1.00 0.25 C ATOM 796 C ILE A 65 4.746 -11.588 -0.374 1.00 0.29 C ATOM 797 O ILE A 65 3.739 -11.294 -1.019 1.00 0.27 O ATOM 798 CB ILE A 65 6.876 -10.293 -0.760 1.00 0.25 C ATOM 799 CG1 ILE A 65 7.544 -8.931 -0.537 1.00 0.24 C ATOM 800 CG2 ILE A 65 6.452 -10.404 -2.216 1.00 0.28 C ATOM 801 CD1 ILE A 65 8.172 -8.735 0.831 1.00 0.24 C ATOM 0 H ILE A 65 7.050 -11.169 1.607 1.00 0.26 H new ATOM 0 HA ILE A 65 5.101 -9.566 0.246 1.00 0.25 H new ATOM 0 HB ILE A 65 7.595 -11.079 -0.527 1.00 0.25 H new ATOM 0 HG12 ILE A 65 8.314 -8.794 -1.296 1.00 0.24 H new ATOM 0 HG13 ILE A 65 6.800 -8.150 -0.693 1.00 0.24 H new ATOM 0 HG21 ILE A 65 7.319 -10.256 -2.860 1.00 0.28 H new ATOM 0 HG22 ILE A 65 6.030 -11.392 -2.398 1.00 0.28 H new ATOM 0 HG23 ILE A 65 5.703 -9.644 -2.436 1.00 0.28 H new ATOM 0 HD11 ILE A 65 8.617 -7.742 0.888 1.00 0.24 H new ATOM 0 HD12 ILE A 65 7.406 -8.834 1.600 1.00 0.24 H new ATOM 0 HD13 ILE A 65 8.944 -9.488 0.988 1.00 0.24 H new ATOM 813 N GLY A 66 5.084 -12.845 -0.105 1.00 0.38 N ATOM 814 CA GLY A 66 4.311 -13.955 -0.643 1.00 0.46 C ATOM 815 C GLY A 66 2.943 -14.088 0.002 1.00 0.49 C ATOM 816 O GLY A 66 2.110 -14.887 -0.433 1.00 0.57 O ATOM 0 H GLY A 66 5.878 -13.117 0.475 1.00 0.38 H new ATOM 0 HA2 GLY A 66 4.189 -13.819 -1.718 1.00 0.46 H new ATOM 0 HA3 GLY A 66 4.867 -14.882 -0.500 1.00 0.46 H new ATOM 820 N ASP A 67 2.711 -13.301 1.040 1.00 0.47 N ATOM 821 CA ASP A 67 1.452 -13.329 1.771 1.00 0.52 C ATOM 822 C ASP A 67 0.597 -12.117 1.411 1.00 0.45 C ATOM 823 O ASP A 67 -0.599 -12.068 1.714 1.00 0.53 O ATOM 824 CB ASP A 67 1.742 -13.368 3.275 1.00 0.64 C ATOM 825 CG ASP A 67 0.499 -13.299 4.135 1.00 0.75 C ATOM 826 OD1 ASP A 67 -0.271 -14.281 4.160 1.00 0.86 O ATOM 827 OD2 ASP A 67 0.303 -12.271 4.816 1.00 0.85 O ATOM 0 H ASP A 67 3.387 -12.627 1.400 1.00 0.47 H new ATOM 0 HA ASP A 67 0.892 -14.222 1.495 1.00 0.52 H new ATOM 0 HB2 ASP A 67 2.284 -14.284 3.508 1.00 0.64 H new ATOM 0 HB3 ASP A 67 2.398 -12.536 3.532 1.00 0.64 H new ATOM 832 N LEU A 68 1.215 -11.151 0.736 1.00 0.36 N ATOM 833 CA LEU A 68 0.531 -9.925 0.341 1.00 0.32 C ATOM 834 C LEU A 68 -0.620 -10.225 -0.608 1.00 0.35 C ATOM 835 O LEU A 68 -0.581 -11.191 -1.374 1.00 0.46 O ATOM 836 CB LEU A 68 1.511 -8.956 -0.311 1.00 0.26 C ATOM 837 CG LEU A 68 2.619 -8.442 0.608 1.00 0.26 C ATOM 838 CD1 LEU A 68 3.570 -7.536 -0.152 1.00 0.27 C ATOM 839 CD2 LEU A 68 2.023 -7.712 1.798 1.00 0.35 C ATOM 0 H LEU A 68 2.193 -11.195 0.451 1.00 0.36 H new ATOM 0 HA LEU A 68 0.122 -9.462 1.239 1.00 0.32 H new ATOM 0 HB2 LEU A 68 1.970 -9.449 -1.168 1.00 0.26 H new ATOM 0 HB3 LEU A 68 0.953 -8.102 -0.695 1.00 0.26 H new ATOM 0 HG LEU A 68 3.185 -9.298 0.975 1.00 0.26 H new ATOM 0 HD11 LEU A 68 4.351 -7.181 0.521 1.00 0.27 H new ATOM 0 HD12 LEU A 68 4.023 -8.091 -0.973 1.00 0.27 H new ATOM 0 HD13 LEU A 68 3.020 -6.684 -0.551 1.00 0.27 H new ATOM 0 HD21 LEU A 68 2.825 -7.352 2.443 1.00 0.35 H new ATOM 0 HD22 LEU A 68 1.432 -6.866 1.447 1.00 0.35 H new ATOM 0 HD23 LEU A 68 1.384 -8.393 2.360 1.00 0.35 H new ATOM 851 N LYS A 69 -1.642 -9.382 -0.545 1.00 0.33 N ATOM 852 CA LYS A 69 -2.901 -9.651 -1.207 1.00 0.40 C ATOM 853 C LYS A 69 -3.019 -8.991 -2.584 1.00 0.35 C ATOM 854 O LYS A 69 -2.857 -9.656 -3.606 1.00 0.62 O ATOM 855 CB LYS A 69 -4.041 -9.198 -0.306 1.00 0.48 C ATOM 856 CG LYS A 69 -4.101 -9.931 1.026 1.00 0.69 C ATOM 857 CD LYS A 69 -4.225 -11.435 0.831 1.00 1.45 C ATOM 858 CE LYS A 69 -4.303 -12.173 2.157 1.00 1.54 C ATOM 859 NZ LYS A 69 -3.089 -11.961 2.992 1.00 2.01 N ATOM 0 H LYS A 69 -1.617 -8.499 -0.035 1.00 0.33 H new ATOM 0 HA LYS A 69 -2.952 -10.725 -1.383 1.00 0.40 H new ATOM 0 HB2 LYS A 69 -3.940 -8.129 -0.117 1.00 0.48 H new ATOM 0 HB3 LYS A 69 -4.985 -9.341 -0.831 1.00 0.48 H new ATOM 0 HG2 LYS A 69 -3.203 -9.711 1.604 1.00 0.69 H new ATOM 0 HG3 LYS A 69 -4.950 -9.567 1.605 1.00 0.69 H new ATOM 0 HD2 LYS A 69 -5.116 -11.653 0.241 1.00 1.45 H new ATOM 0 HD3 LYS A 69 -3.369 -11.799 0.262 1.00 1.45 H new ATOM 0 HE2 LYS A 69 -5.183 -11.837 2.706 1.00 1.54 H new ATOM 0 HE3 LYS A 69 -4.432 -13.239 1.970 1.00 1.54 H new ATOM 0 HZ1 LYS A 69 -3.020 -12.717 3.703 1.00 2.01 H new ATOM 0 HZ2 LYS A 69 -2.244 -11.978 2.386 1.00 2.01 H new ATOM 0 HZ3 LYS A 69 -3.154 -11.040 3.471 1.00 2.01 H new ATOM 873 N ASP A 70 -3.312 -7.694 -2.615 1.00 0.22 N ATOM 874 CA ASP A 70 -3.609 -7.023 -3.881 1.00 0.18 C ATOM 875 C ASP A 70 -2.456 -6.134 -4.333 1.00 0.15 C ATOM 876 O ASP A 70 -1.602 -6.560 -5.114 1.00 0.21 O ATOM 877 CB ASP A 70 -4.893 -6.198 -3.760 1.00 0.23 C ATOM 878 CG ASP A 70 -5.829 -6.426 -4.928 1.00 0.69 C ATOM 879 OD1 ASP A 70 -6.569 -7.431 -4.911 1.00 1.07 O ATOM 880 OD2 ASP A 70 -5.825 -5.611 -5.871 1.00 1.09 O ATOM 0 H ASP A 70 -3.351 -7.092 -1.792 1.00 0.22 H new ATOM 0 HA ASP A 70 -3.750 -7.796 -4.636 1.00 0.18 H new ATOM 0 HB2 ASP A 70 -5.403 -6.456 -2.832 1.00 0.23 H new ATOM 0 HB3 ASP A 70 -4.639 -5.140 -3.701 1.00 0.23 H new ATOM 885 N LEU A 71 -2.422 -4.905 -3.838 1.00 0.14 N ATOM 886 CA LEU A 71 -1.344 -3.980 -4.158 1.00 0.13 C ATOM 887 C LEU A 71 -0.627 -3.532 -2.902 1.00 0.13 C ATOM 888 O LEU A 71 -1.095 -3.762 -1.782 1.00 0.15 O ATOM 889 CB LEU A 71 -1.861 -2.717 -4.857 1.00 0.12 C ATOM 890 CG LEU A 71 -2.306 -2.840 -6.314 1.00 0.12 C ATOM 891 CD1 LEU A 71 -1.533 -3.928 -7.039 1.00 0.15 C ATOM 892 CD2 LEU A 71 -3.808 -3.064 -6.401 1.00 0.12 C ATOM 0 H LEU A 71 -3.131 -4.524 -3.211 1.00 0.14 H new ATOM 0 HA LEU A 71 -0.669 -4.521 -4.821 1.00 0.13 H new ATOM 0 HB2 LEU A 71 -2.704 -2.336 -4.280 1.00 0.12 H new ATOM 0 HB3 LEU A 71 -1.076 -1.963 -4.809 1.00 0.12 H new ATOM 0 HG LEU A 71 -2.081 -1.899 -6.817 1.00 0.12 H new ATOM 0 HD11 LEU A 71 -1.874 -3.989 -8.073 1.00 0.15 H new ATOM 0 HD12 LEU A 71 -0.469 -3.692 -7.021 1.00 0.15 H new ATOM 0 HD13 LEU A 71 -1.701 -4.885 -6.544 1.00 0.15 H new ATOM 0 HD21 LEU A 71 -4.103 -3.149 -7.447 1.00 0.12 H new ATOM 0 HD22 LEU A 71 -4.070 -3.982 -5.874 1.00 0.12 H new ATOM 0 HD23 LEU A 71 -4.328 -2.222 -5.944 1.00 0.12 H new ATOM 904 N VAL A 72 0.510 -2.891 -3.109 1.00 0.14 N ATOM 905 CA VAL A 72 1.167 -2.123 -2.068 1.00 0.14 C ATOM 906 C VAL A 72 1.307 -0.703 -2.591 1.00 0.14 C ATOM 907 O VAL A 72 1.063 -0.463 -3.769 1.00 0.16 O ATOM 908 CB VAL A 72 2.554 -2.700 -1.635 1.00 0.18 C ATOM 909 CG1 VAL A 72 2.678 -4.170 -1.985 1.00 0.25 C ATOM 910 CG2 VAL A 72 3.725 -1.898 -2.195 1.00 0.21 C ATOM 0 H VAL A 72 1.002 -2.889 -4.002 1.00 0.14 H new ATOM 0 HA VAL A 72 0.560 -2.164 -1.164 1.00 0.14 H new ATOM 0 HB VAL A 72 2.601 -2.607 -0.550 1.00 0.18 H new ATOM 0 HG11 VAL A 72 3.654 -4.538 -1.670 1.00 0.25 H new ATOM 0 HG12 VAL A 72 1.896 -4.733 -1.475 1.00 0.25 H new ATOM 0 HG13 VAL A 72 2.573 -4.298 -3.062 1.00 0.25 H new ATOM 0 HG21 VAL A 72 4.663 -2.343 -1.863 1.00 0.21 H new ATOM 0 HG22 VAL A 72 3.685 -1.907 -3.284 1.00 0.21 H new ATOM 0 HG23 VAL A 72 3.665 -0.870 -1.839 1.00 0.21 H new ATOM 920 N GLY A 73 1.663 0.234 -1.746 1.00 0.15 N ATOM 921 CA GLY A 73 1.822 1.590 -2.205 1.00 0.18 C ATOM 922 C GLY A 73 3.060 2.226 -1.640 1.00 0.22 C ATOM 923 O GLY A 73 3.433 1.952 -0.502 1.00 0.37 O ATOM 0 H GLY A 73 1.845 0.086 -0.753 1.00 0.15 H new ATOM 0 HA2 GLY A 73 1.871 1.602 -3.294 1.00 0.18 H new ATOM 0 HA3 GLY A 73 0.949 2.176 -1.919 1.00 0.18 H new ATOM 927 N LEU A 74 3.714 3.058 -2.430 1.00 0.15 N ATOM 928 CA LEU A 74 4.874 3.777 -1.943 1.00 0.15 C ATOM 929 C LEU A 74 4.516 5.232 -1.682 1.00 0.14 C ATOM 930 O LEU A 74 3.899 5.899 -2.521 1.00 0.16 O ATOM 931 CB LEU A 74 6.118 3.613 -2.870 1.00 0.20 C ATOM 932 CG LEU A 74 6.129 4.280 -4.269 1.00 0.22 C ATOM 933 CD1 LEU A 74 4.876 3.974 -5.067 1.00 0.24 C ATOM 934 CD2 LEU A 74 6.369 5.783 -4.173 1.00 0.29 C ATOM 0 H LEU A 74 3.465 3.250 -3.400 1.00 0.15 H new ATOM 0 HA LEU A 74 5.172 3.332 -0.994 1.00 0.15 H new ATOM 0 HB2 LEU A 74 6.983 3.989 -2.323 1.00 0.20 H new ATOM 0 HB3 LEU A 74 6.275 2.545 -3.018 1.00 0.20 H new ATOM 0 HG LEU A 74 6.966 3.842 -4.813 1.00 0.22 H new ATOM 0 HD11 LEU A 74 4.934 4.465 -6.038 1.00 0.24 H new ATOM 0 HD12 LEU A 74 4.789 2.897 -5.209 1.00 0.24 H new ATOM 0 HD13 LEU A 74 4.003 4.340 -4.527 1.00 0.24 H new ATOM 0 HD21 LEU A 74 6.370 6.216 -5.173 1.00 0.29 H new ATOM 0 HD22 LEU A 74 5.577 6.241 -3.580 1.00 0.29 H new ATOM 0 HD23 LEU A 74 7.332 5.968 -3.697 1.00 0.29 H new ATOM 946 N ASN A 75 4.844 5.683 -0.475 1.00 0.18 N ATOM 947 CA ASN A 75 4.638 7.067 -0.057 1.00 0.20 C ATOM 948 C ASN A 75 3.167 7.462 -0.177 1.00 0.22 C ATOM 949 O ASN A 75 2.817 8.463 -0.803 1.00 0.28 O ATOM 950 CB ASN A 75 5.539 8.006 -0.865 1.00 0.25 C ATOM 951 CG ASN A 75 7.012 7.703 -0.649 1.00 0.91 C ATOM 952 OD1 ASN A 75 7.603 6.873 -1.345 1.00 1.85 O ATOM 953 ND2 ASN A 75 7.615 8.374 0.315 1.00 0.92 N ATOM 0 H ASN A 75 5.263 5.095 0.246 1.00 0.18 H new ATOM 0 HA ASN A 75 4.913 7.157 0.994 1.00 0.20 H new ATOM 0 HB2 ASN A 75 5.301 7.914 -1.925 1.00 0.25 H new ATOM 0 HB3 ASN A 75 5.335 9.038 -0.581 1.00 0.25 H new ATOM 0 HD21 ASN A 75 8.604 8.214 0.506 1.00 0.92 H new ATOM 0 HD22 ASN A 75 7.092 9.052 0.869 1.00 0.92 H new ATOM 960 N CYS A 76 2.310 6.660 0.442 1.00 0.24 N ATOM 961 CA CYS A 76 0.875 6.874 0.396 1.00 0.28 C ATOM 962 C CYS A 76 0.425 7.811 1.510 1.00 0.33 C ATOM 963 O CYS A 76 0.928 7.755 2.631 1.00 0.39 O ATOM 964 CB CYS A 76 0.139 5.539 0.519 1.00 0.33 C ATOM 965 SG CYS A 76 0.642 4.301 -0.716 1.00 1.12 S ATOM 0 H CYS A 76 2.592 5.846 0.988 1.00 0.24 H new ATOM 0 HA CYS A 76 0.634 7.335 -0.562 1.00 0.28 H new ATOM 0 HB2 CYS A 76 0.309 5.133 1.516 1.00 0.33 H new ATOM 0 HB3 CYS A 76 -0.932 5.716 0.425 1.00 0.33 H new ATOM 970 N SER A 77 -0.524 8.669 1.187 1.00 0.35 N ATOM 971 CA SER A 77 -1.061 9.630 2.142 1.00 0.39 C ATOM 972 C SER A 77 -2.405 9.147 2.685 1.00 0.38 C ATOM 973 O SER A 77 -3.314 8.842 1.911 1.00 0.37 O ATOM 974 CB SER A 77 -1.240 10.991 1.469 1.00 0.43 C ATOM 975 OG SER A 77 -0.026 11.443 0.893 1.00 1.26 O ATOM 0 H SER A 77 -0.946 8.723 0.260 1.00 0.35 H new ATOM 0 HA SER A 77 -0.358 9.725 2.970 1.00 0.39 H new ATOM 0 HB2 SER A 77 -2.007 10.920 0.698 1.00 0.43 H new ATOM 0 HB3 SER A 77 -1.591 11.718 2.201 1.00 0.43 H new ATOM 0 HG SER A 77 -0.170 12.314 0.468 1.00 1.26 H new ATOM 981 N PRO A 78 -2.546 9.038 4.016 1.00 0.44 N ATOM 982 CA PRO A 78 -3.812 8.655 4.645 1.00 0.46 C ATOM 983 C PRO A 78 -4.869 9.754 4.552 1.00 0.47 C ATOM 984 O PRO A 78 -4.615 10.915 4.884 1.00 0.54 O ATOM 985 CB PRO A 78 -3.437 8.397 6.114 1.00 0.56 C ATOM 986 CG PRO A 78 -1.945 8.369 6.148 1.00 0.61 C ATOM 987 CD PRO A 78 -1.487 9.239 5.014 1.00 0.56 C ATOM 0 HA PRO A 78 -4.255 7.790 4.151 1.00 0.46 H new ATOM 0 HB2 PRO A 78 -3.829 9.181 6.762 1.00 0.56 H new ATOM 0 HB3 PRO A 78 -3.855 7.454 6.465 1.00 0.56 H new ATOM 0 HG2 PRO A 78 -1.570 8.741 7.101 1.00 0.61 H new ATOM 0 HG3 PRO A 78 -1.571 7.351 6.034 1.00 0.61 H new ATOM 0 HD2 PRO A 78 -1.402 10.284 5.312 1.00 0.56 H new ATOM 0 HD3 PRO A 78 -0.510 8.935 4.637 1.00 0.56 H new ATOM 995 N LEU A 79 -6.046 9.369 4.079 1.00 0.44 N ATOM 996 CA LEU A 79 -7.178 10.272 3.943 1.00 0.49 C ATOM 997 C LEU A 79 -8.238 9.912 4.980 1.00 0.57 C ATOM 998 O LEU A 79 -9.120 9.089 4.721 1.00 0.60 O ATOM 999 CB LEU A 79 -7.762 10.141 2.536 1.00 0.46 C ATOM 1000 CG LEU A 79 -6.726 9.994 1.417 1.00 0.38 C ATOM 1001 CD1 LEU A 79 -7.395 9.581 0.123 1.00 0.77 C ATOM 1002 CD2 LEU A 79 -5.951 11.286 1.226 1.00 0.86 C ATOM 0 H LEU A 79 -6.243 8.415 3.777 1.00 0.44 H new ATOM 0 HA LEU A 79 -6.853 11.300 4.103 1.00 0.49 H new ATOM 0 HB2 LEU A 79 -8.425 9.276 2.513 1.00 0.46 H new ATOM 0 HB3 LEU A 79 -8.375 11.018 2.330 1.00 0.46 H new ATOM 0 HG LEU A 79 -6.022 9.214 1.706 1.00 0.38 H new ATOM 0 HD11 LEU A 79 -6.643 9.482 -0.660 1.00 0.77 H new ATOM 0 HD12 LEU A 79 -7.901 8.626 0.264 1.00 0.77 H new ATOM 0 HD13 LEU A 79 -8.124 10.338 -0.168 1.00 0.77 H new ATOM 0 HD21 LEU A 79 -5.221 11.158 0.427 1.00 0.86 H new ATOM 0 HD22 LEU A 79 -6.640 12.088 0.963 1.00 0.86 H new ATOM 0 HD23 LEU A 79 -5.434 11.541 2.151 1.00 0.86 H new ATOM 1014 N SER A 80 -8.142 10.518 6.152 1.00 0.65 N ATOM 1015 CA SER A 80 -8.995 10.163 7.277 1.00 0.75 C ATOM 1016 C SER A 80 -10.358 10.845 7.196 1.00 0.83 C ATOM 1017 O SER A 80 -11.384 10.231 7.495 1.00 0.89 O ATOM 1018 CB SER A 80 -8.290 10.537 8.581 1.00 0.87 C ATOM 1019 OG SER A 80 -7.723 11.836 8.494 1.00 1.37 O ATOM 0 H SER A 80 -7.476 11.265 6.351 1.00 0.65 H new ATOM 0 HA SER A 80 -9.172 9.088 7.246 1.00 0.75 H new ATOM 0 HB2 SER A 80 -9.000 10.500 9.407 1.00 0.87 H new ATOM 0 HB3 SER A 80 -7.509 9.808 8.799 1.00 0.87 H new ATOM 0 HG SER A 80 -7.278 12.056 9.339 1.00 1.37 H new ATOM 1025 N VAL A 81 -10.374 12.105 6.782 1.00 0.95 N ATOM 1026 CA VAL A 81 -11.606 12.879 6.778 1.00 1.10 C ATOM 1027 C VAL A 81 -12.012 13.322 5.373 1.00 1.08 C ATOM 1028 O VAL A 81 -11.378 14.179 4.757 1.00 1.18 O ATOM 1029 CB VAL A 81 -11.513 14.111 7.711 1.00 1.32 C ATOM 1030 CG1 VAL A 81 -11.521 13.674 9.170 1.00 1.60 C ATOM 1031 CG2 VAL A 81 -10.263 14.934 7.420 1.00 1.25 C ATOM 0 H VAL A 81 -9.553 12.609 6.447 1.00 0.95 H new ATOM 0 HA VAL A 81 -12.380 12.211 7.157 1.00 1.10 H new ATOM 0 HB VAL A 81 -12.384 14.738 7.521 1.00 1.32 H new ATOM 0 HG11 VAL A 81 -11.455 14.552 9.813 1.00 1.60 H new ATOM 0 HG12 VAL A 81 -12.445 13.136 9.384 1.00 1.60 H new ATOM 0 HG13 VAL A 81 -10.669 13.021 9.359 1.00 1.60 H new ATOM 0 HG21 VAL A 81 -10.227 15.792 8.092 1.00 1.25 H new ATOM 0 HG22 VAL A 81 -9.377 14.317 7.572 1.00 1.25 H new ATOM 0 HG23 VAL A 81 -10.289 15.283 6.388 1.00 1.25 H new ATOM 1041 N ILE A 82 -13.065 12.705 4.865 1.00 1.13 N ATOM 1042 CA ILE A 82 -13.665 13.109 3.606 1.00 1.24 C ATOM 1043 C ILE A 82 -15.130 13.471 3.842 1.00 1.42 C ATOM 1044 O ILE A 82 -15.761 12.943 4.757 1.00 1.85 O ATOM 1045 CB ILE A 82 -13.543 12.004 2.537 1.00 1.44 C ATOM 1046 CG1 ILE A 82 -12.067 11.656 2.336 1.00 1.62 C ATOM 1047 CG2 ILE A 82 -14.180 12.440 1.220 1.00 1.64 C ATOM 1048 CD1 ILE A 82 -11.780 10.928 1.046 1.00 1.32 C ATOM 0 H ILE A 82 -13.526 11.913 5.312 1.00 1.13 H new ATOM 0 HA ILE A 82 -13.129 13.980 3.229 1.00 1.24 H new ATOM 0 HB ILE A 82 -14.078 11.119 2.881 1.00 1.44 H new ATOM 0 HG12 ILE A 82 -11.481 12.575 2.361 1.00 1.62 H new ATOM 0 HG13 ILE A 82 -11.732 11.041 3.171 1.00 1.62 H new ATOM 0 HG21 ILE A 82 -14.079 11.641 0.485 1.00 1.64 H new ATOM 0 HG22 ILE A 82 -15.237 12.654 1.380 1.00 1.64 H new ATOM 0 HG23 ILE A 82 -13.680 13.336 0.853 1.00 1.64 H new ATOM 0 HD11 ILE A 82 -10.713 10.717 0.977 1.00 1.32 H new ATOM 0 HD12 ILE A 82 -12.337 9.992 1.025 1.00 1.32 H new ATOM 0 HD13 ILE A 82 -12.082 11.549 0.203 1.00 1.32 H new ATOM 1060 N GLY A 83 -15.657 14.392 3.046 1.00 1.67 N ATOM 1061 CA GLY A 83 -17.029 14.830 3.231 1.00 1.97 C ATOM 1062 C GLY A 83 -17.139 16.337 3.239 1.00 2.49 C ATOM 1063 O GLY A 83 -18.230 16.896 3.127 1.00 3.18 O ATOM 0 H GLY A 83 -15.162 14.843 2.277 1.00 1.67 H new ATOM 0 HA2 GLY A 83 -17.651 14.424 2.433 1.00 1.97 H new ATOM 0 HA3 GLY A 83 -17.414 14.432 4.170 1.00 1.97 H new ATOM 1067 N VAL A 84 -15.999 16.997 3.385 1.00 2.72 N ATOM 1068 CA VAL A 84 -15.931 18.451 3.317 1.00 3.60 C ATOM 1069 C VAL A 84 -15.390 18.881 1.959 1.00 3.85 C ATOM 1070 O VAL A 84 -14.758 19.933 1.821 1.00 4.33 O ATOM 1071 CB VAL A 84 -15.043 19.030 4.441 1.00 4.14 C ATOM 1072 CG1 VAL A 84 -15.675 18.782 5.804 1.00 4.69 C ATOM 1073 CG2 VAL A 84 -13.639 18.435 4.388 1.00 4.36 C ATOM 0 H VAL A 84 -15.101 16.544 3.553 1.00 2.72 H new ATOM 0 HA VAL A 84 -16.940 18.841 3.451 1.00 3.60 H new ATOM 0 HB VAL A 84 -14.962 20.106 4.287 1.00 4.14 H new ATOM 0 HG11 VAL A 84 -15.035 19.197 6.583 1.00 4.69 H new ATOM 0 HG12 VAL A 84 -16.653 19.262 5.844 1.00 4.69 H new ATOM 0 HG13 VAL A 84 -15.790 17.710 5.962 1.00 4.69 H new ATOM 0 HG21 VAL A 84 -13.034 18.859 5.189 1.00 4.36 H new ATOM 0 HG22 VAL A 84 -13.697 17.353 4.510 1.00 4.36 H new ATOM 0 HG23 VAL A 84 -13.182 18.667 3.426 1.00 4.36 H new ATOM 1083 N GLY A 85 -15.656 18.060 0.956 1.00 3.93 N ATOM 1084 CA GLY A 85 -15.117 18.286 -0.364 1.00 4.35 C ATOM 1085 C GLY A 85 -14.268 17.118 -0.819 1.00 3.60 C ATOM 1086 O GLY A 85 -13.888 16.269 -0.008 1.00 3.72 O ATOM 0 H GLY A 85 -16.244 17.231 1.037 1.00 3.93 H new ATOM 0 HA2 GLY A 85 -15.932 18.442 -1.070 1.00 4.35 H new ATOM 0 HA3 GLY A 85 -14.517 19.196 -0.363 1.00 4.35 H new ATOM 1090 N GLY A 86 -13.979 17.067 -2.108 1.00 3.27 N ATOM 1091 CA GLY A 86 -13.157 16.001 -2.643 1.00 2.85 C ATOM 1092 C GLY A 86 -11.734 16.453 -2.887 1.00 2.81 C ATOM 1093 O GLY A 86 -10.933 15.724 -3.478 1.00 3.23 O ATOM 0 H GLY A 86 -14.300 17.747 -2.797 1.00 3.27 H new ATOM 0 HA2 GLY A 86 -13.157 15.160 -1.950 1.00 2.85 H new ATOM 0 HA3 GLY A 86 -13.589 15.643 -3.577 1.00 2.85 H new ATOM 1097 N ASN A 87 -11.420 17.659 -2.430 1.00 2.92 N ATOM 1098 CA ASN A 87 -10.082 18.220 -2.581 1.00 3.48 C ATOM 1099 C ASN A 87 -9.112 17.558 -1.604 1.00 3.28 C ATOM 1100 O ASN A 87 -8.805 18.097 -0.541 1.00 3.84 O ATOM 1101 CB ASN A 87 -10.106 19.736 -2.364 1.00 4.25 C ATOM 1102 CG ASN A 87 -8.764 20.390 -2.640 1.00 4.88 C ATOM 1103 OD1 ASN A 87 -7.931 20.539 -1.744 1.00 5.20 O ATOM 1104 ND2 ASN A 87 -8.545 20.789 -3.883 1.00 5.47 N ATOM 0 H ASN A 87 -12.078 18.271 -1.948 1.00 2.92 H new ATOM 0 HA ASN A 87 -9.740 18.023 -3.597 1.00 3.48 H new ATOM 0 HB2 ASN A 87 -10.862 20.180 -3.012 1.00 4.25 H new ATOM 0 HB3 ASN A 87 -10.404 19.947 -1.337 1.00 4.25 H new ATOM 0 HD21 ASN A 87 -7.662 21.237 -4.127 1.00 5.47 H new ATOM 0 HD22 ASN A 87 -9.259 20.648 -4.597 1.00 5.47 H new ATOM 1111 N SER A 88 -8.661 16.367 -1.963 1.00 3.02 N ATOM 1112 CA SER A 88 -7.711 15.609 -1.162 1.00 3.21 C ATOM 1113 C SER A 88 -7.022 14.578 -2.049 1.00 2.38 C ATOM 1114 O SER A 88 -7.534 14.252 -3.126 1.00 2.74 O ATOM 1115 CB SER A 88 -8.425 14.900 -0.002 1.00 4.17 C ATOM 1116 OG SER A 88 -9.105 15.823 0.838 1.00 4.70 O ATOM 0 H SER A 88 -8.944 15.896 -2.822 1.00 3.02 H new ATOM 0 HA SER A 88 -6.973 16.293 -0.744 1.00 3.21 H new ATOM 0 HB2 SER A 88 -9.137 14.177 -0.400 1.00 4.17 H new ATOM 0 HB3 SER A 88 -7.697 14.340 0.586 1.00 4.17 H new ATOM 0 HG SER A 88 -8.775 16.729 0.663 1.00 4.70 H new ATOM 1122 N CYS A 89 -5.866 14.082 -1.602 1.00 1.64 N ATOM 1123 CA CYS A 89 -5.136 13.029 -2.313 1.00 0.84 C ATOM 1124 C CYS A 89 -4.458 13.559 -3.584 1.00 0.77 C ATOM 1125 O CYS A 89 -3.236 13.715 -3.608 1.00 1.66 O ATOM 1126 CB CYS A 89 -6.075 11.850 -2.623 1.00 0.57 C ATOM 1127 SG CYS A 89 -5.417 10.645 -3.818 1.00 1.17 S ATOM 0 H CYS A 89 -5.412 14.396 -0.744 1.00 1.64 H new ATOM 0 HA CYS A 89 -4.338 12.673 -1.662 1.00 0.84 H new ATOM 0 HB2 CYS A 89 -6.303 11.330 -1.692 1.00 0.57 H new ATOM 0 HB3 CYS A 89 -7.016 12.244 -3.006 1.00 0.57 H new ATOM 1132 N SER A 90 -5.241 13.837 -4.626 1.00 0.94 N ATOM 1133 CA SER A 90 -4.702 14.324 -5.902 1.00 0.87 C ATOM 1134 C SER A 90 -3.745 13.304 -6.537 1.00 0.74 C ATOM 1135 O SER A 90 -2.838 13.668 -7.289 1.00 0.98 O ATOM 1136 CB SER A 90 -3.991 15.665 -5.701 1.00 0.98 C ATOM 1137 OG SER A 90 -4.820 16.576 -4.997 1.00 1.65 O ATOM 0 H SER A 90 -6.256 13.734 -4.614 1.00 0.94 H new ATOM 0 HA SER A 90 -5.540 14.463 -6.585 1.00 0.87 H new ATOM 0 HB2 SER A 90 -3.063 15.511 -5.150 1.00 0.98 H new ATOM 0 HB3 SER A 90 -3.720 16.087 -6.669 1.00 0.98 H new ATOM 0 HG SER A 90 -4.346 17.425 -4.878 1.00 1.65 H new ATOM 1143 N ALA A 91 -3.942 12.035 -6.211 1.00 0.54 N ATOM 1144 CA ALA A 91 -3.163 10.952 -6.795 1.00 0.45 C ATOM 1145 C ALA A 91 -4.026 9.701 -6.895 1.00 0.39 C ATOM 1146 O ALA A 91 -5.257 9.794 -6.899 1.00 0.47 O ATOM 1147 CB ALA A 91 -1.903 10.689 -5.978 1.00 0.45 C ATOM 0 H ALA A 91 -4.643 11.727 -5.537 1.00 0.54 H new ATOM 0 HA ALA A 91 -2.846 11.240 -7.798 1.00 0.45 H new ATOM 0 HB1 ALA A 91 -1.337 9.876 -6.433 1.00 0.45 H new ATOM 0 HB2 ALA A 91 -1.290 11.590 -5.955 1.00 0.45 H new ATOM 0 HB3 ALA A 91 -2.180 10.413 -4.961 1.00 0.45 H new ATOM 1153 N GLN A 92 -3.400 8.539 -6.977 1.00 0.29 N ATOM 1154 CA GLN A 92 -4.128 7.303 -7.135 1.00 0.26 C ATOM 1155 C GLN A 92 -4.684 6.846 -5.785 1.00 0.22 C ATOM 1156 O GLN A 92 -3.950 6.662 -4.816 1.00 0.27 O ATOM 1157 CB GLN A 92 -3.207 6.271 -7.791 1.00 0.25 C ATOM 1158 CG GLN A 92 -3.262 4.883 -7.197 1.00 0.24 C ATOM 1159 CD GLN A 92 -2.608 3.862 -8.095 1.00 0.40 C ATOM 1160 OE1 GLN A 92 -3.021 2.709 -8.132 1.00 0.57 O ATOM 1161 NE2 GLN A 92 -1.584 4.277 -8.823 1.00 0.78 N ATOM 0 H GLN A 92 -2.387 8.431 -6.936 1.00 0.29 H new ATOM 0 HA GLN A 92 -4.990 7.438 -7.789 1.00 0.26 H new ATOM 0 HB2 GLN A 92 -3.459 6.205 -8.849 1.00 0.25 H new ATOM 0 HB3 GLN A 92 -2.181 6.634 -7.730 1.00 0.25 H new ATOM 0 HG2 GLN A 92 -2.766 4.883 -6.226 1.00 0.24 H new ATOM 0 HG3 GLN A 92 -4.301 4.603 -7.024 1.00 0.24 H new ATOM 0 HE21 GLN A 92 -1.274 5.247 -8.761 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -1.105 3.627 -9.447 1.00 0.78 H new ATOM 1170 N THR A 93 -5.998 6.698 -5.724 1.00 0.18 N ATOM 1171 CA THR A 93 -6.679 6.445 -4.472 1.00 0.17 C ATOM 1172 C THR A 93 -7.027 4.970 -4.318 1.00 0.17 C ATOM 1173 O THR A 93 -7.730 4.389 -5.147 1.00 0.21 O ATOM 1174 CB THR A 93 -7.961 7.289 -4.380 1.00 0.22 C ATOM 1175 OG1 THR A 93 -7.975 8.259 -5.439 1.00 0.39 O ATOM 1176 CG2 THR A 93 -8.034 8.006 -3.042 1.00 0.29 C ATOM 0 H THR A 93 -6.614 6.750 -6.535 1.00 0.18 H new ATOM 0 HA THR A 93 -6.001 6.725 -3.666 1.00 0.17 H new ATOM 0 HB THR A 93 -8.821 6.626 -4.472 1.00 0.22 H new ATOM 0 HG1 THR A 93 -8.793 8.795 -5.381 1.00 0.39 H new ATOM 0 HG21 THR A 93 -8.948 8.598 -2.996 1.00 0.29 H new ATOM 0 HG22 THR A 93 -8.036 7.272 -2.236 1.00 0.29 H new ATOM 0 HG23 THR A 93 -7.171 8.662 -2.933 1.00 0.29 H new ATOM 1184 N VAL A 94 -6.520 4.372 -3.255 1.00 0.16 N ATOM 1185 CA VAL A 94 -6.775 2.970 -2.957 1.00 0.16 C ATOM 1186 C VAL A 94 -7.143 2.786 -1.492 1.00 0.19 C ATOM 1187 O VAL A 94 -6.960 3.683 -0.670 1.00 0.22 O ATOM 1188 CB VAL A 94 -5.551 2.076 -3.267 1.00 0.15 C ATOM 1189 CG1 VAL A 94 -5.356 1.906 -4.762 1.00 0.14 C ATOM 1190 CG2 VAL A 94 -4.294 2.643 -2.633 1.00 0.18 C ATOM 0 H VAL A 94 -5.922 4.841 -2.575 1.00 0.16 H new ATOM 0 HA VAL A 94 -7.605 2.667 -3.596 1.00 0.16 H new ATOM 0 HB VAL A 94 -5.745 1.093 -2.837 1.00 0.15 H new ATOM 0 HG11 VAL A 94 -4.488 1.273 -4.946 1.00 0.14 H new ATOM 0 HG12 VAL A 94 -6.242 1.441 -5.194 1.00 0.14 H new ATOM 0 HG13 VAL A 94 -5.197 2.882 -5.221 1.00 0.14 H new ATOM 0 HG21 VAL A 94 -3.447 1.998 -2.865 1.00 0.18 H new ATOM 0 HG22 VAL A 94 -4.107 3.642 -3.026 1.00 0.18 H new ATOM 0 HG23 VAL A 94 -4.424 2.697 -1.552 1.00 0.18 H new ATOM 1200 N CYS A 95 -7.670 1.623 -1.177 1.00 0.20 N ATOM 1201 CA CYS A 95 -7.945 1.259 0.199 1.00 0.24 C ATOM 1202 C CYS A 95 -7.050 0.104 0.598 1.00 0.20 C ATOM 1203 O CYS A 95 -7.023 -0.926 -0.071 1.00 0.20 O ATOM 1204 CB CYS A 95 -9.417 0.895 0.391 1.00 0.29 C ATOM 1205 SG CYS A 95 -10.510 2.335 0.584 1.00 0.71 S ATOM 0 H CYS A 95 -7.919 0.907 -1.860 1.00 0.20 H new ATOM 0 HA CYS A 95 -7.736 2.116 0.839 1.00 0.24 H new ATOM 0 HB2 CYS A 95 -9.751 0.309 -0.465 1.00 0.29 H new ATOM 0 HB3 CYS A 95 -9.512 0.258 1.270 1.00 0.29 H new ATOM 1210 N CYS A 96 -6.310 0.289 1.673 1.00 0.24 N ATOM 1211 CA CYS A 96 -5.282 -0.658 2.066 1.00 0.21 C ATOM 1212 C CYS A 96 -5.558 -1.193 3.459 1.00 0.22 C ATOM 1213 O CYS A 96 -6.163 -0.512 4.288 1.00 0.33 O ATOM 1214 CB CYS A 96 -3.925 0.033 1.993 1.00 0.27 C ATOM 1215 SG CYS A 96 -3.670 0.926 0.422 1.00 0.61 S ATOM 0 H CYS A 96 -6.402 1.092 2.295 1.00 0.24 H new ATOM 0 HA CYS A 96 -5.282 -1.511 1.387 1.00 0.21 H new ATOM 0 HB2 CYS A 96 -3.834 0.734 2.823 1.00 0.27 H new ATOM 0 HB3 CYS A 96 -3.137 -0.710 2.115 1.00 0.27 H new ATOM 1220 N THR A 97 -5.132 -2.426 3.697 1.00 0.20 N ATOM 1221 CA THR A 97 -5.480 -3.126 4.922 1.00 0.24 C ATOM 1222 C THR A 97 -4.576 -2.688 6.072 1.00 0.25 C ATOM 1223 O THR A 97 -4.984 -2.702 7.234 1.00 0.32 O ATOM 1224 CB THR A 97 -5.414 -4.662 4.731 1.00 0.29 C ATOM 1225 OG1 THR A 97 -6.008 -5.331 5.853 1.00 0.38 O ATOM 1226 CG2 THR A 97 -3.976 -5.145 4.554 1.00 0.28 C ATOM 0 H THR A 97 -4.545 -2.961 3.057 1.00 0.20 H new ATOM 0 HA THR A 97 -6.508 -2.864 5.173 1.00 0.24 H new ATOM 0 HB THR A 97 -5.971 -4.902 3.825 1.00 0.29 H new ATOM 0 HG1 THR A 97 -5.961 -6.301 5.718 1.00 0.38 H new ATOM 0 HG21 THR A 97 -3.969 -6.227 4.423 1.00 0.28 H new ATOM 0 HG22 THR A 97 -3.538 -4.670 3.676 1.00 0.28 H new ATOM 0 HG23 THR A 97 -3.393 -4.883 5.437 1.00 0.28 H new ATOM 1234 N ASN A 98 -3.358 -2.277 5.735 1.00 0.22 N ATOM 1235 CA ASN A 98 -2.393 -1.810 6.728 1.00 0.24 C ATOM 1236 C ASN A 98 -1.431 -0.826 6.086 1.00 0.21 C ATOM 1237 O ASN A 98 -1.280 -0.811 4.863 1.00 0.23 O ATOM 1238 CB ASN A 98 -1.578 -2.966 7.342 1.00 0.28 C ATOM 1239 CG ASN A 98 -2.391 -3.902 8.215 1.00 0.41 C ATOM 1240 OD1 ASN A 98 -2.887 -4.929 7.753 1.00 0.78 O ATOM 1241 ND2 ASN A 98 -2.528 -3.560 9.485 1.00 0.63 N ATOM 0 H ASN A 98 -3.013 -2.257 4.775 1.00 0.22 H new ATOM 0 HA ASN A 98 -2.962 -1.333 7.526 1.00 0.24 H new ATOM 0 HB2 ASN A 98 -1.122 -3.542 6.537 1.00 0.28 H new ATOM 0 HB3 ASN A 98 -0.765 -2.548 7.935 1.00 0.28 H new ATOM 0 HD21 ASN A 98 -3.060 -4.156 10.119 1.00 0.63 H new ATOM 0 HD22 ASN A 98 -2.102 -2.700 9.830 1.00 0.63 H new ATOM 1248 N THR A 99 -0.783 -0.016 6.905 1.00 0.23 N ATOM 1249 CA THR A 99 0.218 0.917 6.420 1.00 0.23 C ATOM 1250 C THR A 99 1.438 0.899 7.334 1.00 0.22 C ATOM 1251 O THR A 99 1.320 0.657 8.539 1.00 0.26 O ATOM 1252 CB THR A 99 -0.347 2.351 6.316 1.00 0.31 C ATOM 1253 OG1 THR A 99 0.633 3.233 5.755 1.00 0.40 O ATOM 1254 CG2 THR A 99 -0.790 2.874 7.673 1.00 0.42 C ATOM 0 H THR A 99 -0.933 0.014 7.913 1.00 0.23 H new ATOM 0 HA THR A 99 0.513 0.601 5.419 1.00 0.23 H new ATOM 0 HB THR A 99 -1.219 2.315 5.663 1.00 0.31 H new ATOM 0 HG1 THR A 99 0.262 4.138 5.693 1.00 0.40 H new ATOM 0 HG21 THR A 99 -1.182 3.885 7.563 1.00 0.42 H new ATOM 0 HG22 THR A 99 -1.567 2.225 8.077 1.00 0.42 H new ATOM 0 HG23 THR A 99 0.061 2.887 8.354 1.00 0.42 H new ATOM 1262 N TYR A 100 2.609 1.117 6.755 1.00 0.24 N ATOM 1263 CA TYR A 100 3.847 1.137 7.523 1.00 0.29 C ATOM 1264 C TYR A 100 4.721 2.294 7.063 1.00 0.26 C ATOM 1265 O TYR A 100 4.551 2.801 5.950 1.00 0.25 O ATOM 1266 CB TYR A 100 4.610 -0.187 7.365 1.00 0.41 C ATOM 1267 CG TYR A 100 3.794 -1.416 7.703 1.00 0.32 C ATOM 1268 CD1 TYR A 100 3.711 -1.877 9.011 1.00 0.71 C ATOM 1269 CD2 TYR A 100 3.111 -2.114 6.717 1.00 0.58 C ATOM 1270 CE1 TYR A 100 2.972 -2.999 9.328 1.00 0.77 C ATOM 1271 CE2 TYR A 100 2.369 -3.240 7.025 1.00 0.61 C ATOM 1272 CZ TYR A 100 2.289 -3.672 8.312 1.00 0.47 C ATOM 1273 OH TYR A 100 1.571 -4.802 8.639 1.00 0.62 O ATOM 0 H TYR A 100 2.729 1.283 5.756 1.00 0.24 H new ATOM 0 HA TYR A 100 3.597 1.267 8.576 1.00 0.29 H new ATOM 0 HB2 TYR A 100 4.963 -0.270 6.337 1.00 0.41 H new ATOM 0 HB3 TYR A 100 5.493 -0.163 8.004 1.00 0.41 H new ATOM 0 HD1 TYR A 100 4.234 -1.348 9.794 1.00 0.71 H new ATOM 0 HD2 TYR A 100 3.160 -1.773 5.693 1.00 0.58 H new ATOM 0 HE1 TYR A 100 2.923 -3.352 10.348 1.00 0.77 H new ATOM 0 HE2 TYR A 100 1.853 -3.777 6.243 1.00 0.61 H new ATOM 0 HH TYR A 100 1.147 -5.165 7.833 1.00 0.62 H new ATOM 1283 N GLN A 101 5.644 2.723 7.924 1.00 0.28 N ATOM 1284 CA GLN A 101 6.583 3.791 7.584 1.00 0.28 C ATOM 1285 C GLN A 101 5.860 5.104 7.304 1.00 0.30 C ATOM 1286 O GLN A 101 6.349 5.938 6.541 1.00 0.34 O ATOM 1287 CB GLN A 101 7.419 3.386 6.372 1.00 0.25 C ATOM 1288 CG GLN A 101 8.516 2.393 6.694 1.00 0.27 C ATOM 1289 CD GLN A 101 9.697 3.040 7.387 1.00 0.31 C ATOM 1290 OE1 GLN A 101 10.398 2.404 8.174 1.00 0.80 O ATOM 1291 NE2 GLN A 101 9.914 4.315 7.109 1.00 0.67 N ATOM 0 H GLN A 101 5.761 2.346 8.864 1.00 0.28 H new ATOM 0 HA GLN A 101 7.238 3.946 8.441 1.00 0.28 H new ATOM 0 HB2 GLN A 101 6.762 2.956 5.616 1.00 0.25 H new ATOM 0 HB3 GLN A 101 7.866 4.279 5.935 1.00 0.25 H new ATOM 0 HG2 GLN A 101 8.113 1.604 7.329 1.00 0.27 H new ATOM 0 HG3 GLN A 101 8.854 1.918 5.773 1.00 0.27 H new ATOM 0 HE21 GLN A 101 9.308 4.804 6.450 1.00 0.67 H new ATOM 0 HE22 GLN A 101 10.688 4.809 7.553 1.00 0.67 H new ATOM 1300 N HIS A 102 4.681 5.259 7.907 1.00 0.35 N ATOM 1301 CA HIS A 102 3.851 6.460 7.753 1.00 0.40 C ATOM 1302 C HIS A 102 3.335 6.636 6.326 1.00 0.34 C ATOM 1303 O HIS A 102 2.619 7.594 6.038 1.00 0.38 O ATOM 1304 CB HIS A 102 4.599 7.723 8.200 1.00 0.49 C ATOM 1305 CG HIS A 102 4.707 7.860 9.687 1.00 1.01 C ATOM 1306 ND1 HIS A 102 3.871 8.665 10.432 1.00 1.49 N ATOM 1307 CD2 HIS A 102 5.560 7.292 10.571 1.00 1.41 C ATOM 1308 CE1 HIS A 102 4.205 8.586 11.706 1.00 2.12 C ATOM 1309 NE2 HIS A 102 5.226 7.759 11.816 1.00 2.09 N ATOM 0 H HIS A 102 4.271 4.554 8.519 1.00 0.35 H new ATOM 0 HA HIS A 102 2.988 6.315 8.402 1.00 0.40 H new ATOM 0 HB2 HIS A 102 5.601 7.713 7.771 1.00 0.49 H new ATOM 0 HB3 HIS A 102 4.089 8.599 7.799 1.00 0.49 H new ATOM 0 HD2 HIS A 102 6.356 6.600 10.339 1.00 1.41 H new ATOM 0 HE1 HIS A 102 3.724 9.109 12.519 1.00 2.12 H new ATOM 0 HE2 HIS A 102 5.692 7.507 12.687 1.00 2.09 H new ATOM 1318 N GLY A 103 3.683 5.716 5.436 1.00 0.28 N ATOM 1319 CA GLY A 103 3.177 5.792 4.088 1.00 0.25 C ATOM 1320 C GLY A 103 4.128 5.238 3.052 1.00 0.22 C ATOM 1321 O GLY A 103 3.687 4.869 1.966 1.00 0.22 O ATOM 0 H GLY A 103 4.301 4.927 5.625 1.00 0.28 H new ATOM 0 HA2 GLY A 103 2.234 5.248 4.032 1.00 0.25 H new ATOM 0 HA3 GLY A 103 2.959 6.833 3.849 1.00 0.25 H new ATOM 1325 N LEU A 104 5.427 5.173 3.374 1.00 0.22 N ATOM 1326 CA LEU A 104 6.438 4.708 2.412 1.00 0.22 C ATOM 1327 C LEU A 104 6.038 3.372 1.794 1.00 0.19 C ATOM 1328 O LEU A 104 6.292 3.123 0.617 1.00 0.21 O ATOM 1329 CB LEU A 104 7.812 4.553 3.064 1.00 0.26 C ATOM 1330 CG LEU A 104 8.336 5.760 3.842 1.00 0.31 C ATOM 1331 CD1 LEU A 104 9.801 5.564 4.171 1.00 0.36 C ATOM 1332 CD2 LEU A 104 8.142 7.046 3.071 1.00 0.34 C ATOM 0 H LEU A 104 5.802 5.434 4.286 1.00 0.22 H new ATOM 0 HA LEU A 104 6.496 5.469 1.634 1.00 0.22 H new ATOM 0 HB2 LEU A 104 7.774 3.700 3.742 1.00 0.26 H new ATOM 0 HB3 LEU A 104 8.534 4.309 2.285 1.00 0.26 H new ATOM 0 HG LEU A 104 7.764 5.839 4.766 1.00 0.31 H new ATOM 0 HD11 LEU A 104 10.168 6.428 4.725 1.00 0.36 H new ATOM 0 HD12 LEU A 104 9.921 4.666 4.777 1.00 0.36 H new ATOM 0 HD13 LEU A 104 10.370 5.457 3.248 1.00 0.36 H new ATOM 0 HD21 LEU A 104 8.526 7.882 3.655 1.00 0.34 H new ATOM 0 HD22 LEU A 104 8.679 6.987 2.125 1.00 0.34 H new ATOM 0 HD23 LEU A 104 7.080 7.197 2.877 1.00 0.34 H new ATOM 1344 N VAL A 105 5.437 2.519 2.606 1.00 0.19 N ATOM 1345 CA VAL A 105 4.894 1.250 2.146 1.00 0.19 C ATOM 1346 C VAL A 105 3.480 1.076 2.671 1.00 0.20 C ATOM 1347 O VAL A 105 3.156 1.491 3.787 1.00 0.41 O ATOM 1348 CB VAL A 105 5.754 0.062 2.601 1.00 0.26 C ATOM 1349 CG1 VAL A 105 7.033 -0.017 1.784 1.00 0.86 C ATOM 1350 CG2 VAL A 105 6.077 0.185 4.075 1.00 0.69 C ATOM 0 H VAL A 105 5.311 2.686 3.604 1.00 0.19 H new ATOM 0 HA VAL A 105 4.892 1.268 1.056 1.00 0.19 H new ATOM 0 HB VAL A 105 5.188 -0.856 2.441 1.00 0.26 H new ATOM 0 HG11 VAL A 105 7.629 -0.865 2.122 1.00 0.86 H new ATOM 0 HG12 VAL A 105 6.784 -0.145 0.730 1.00 0.86 H new ATOM 0 HG13 VAL A 105 7.605 0.902 1.913 1.00 0.86 H new ATOM 0 HG21 VAL A 105 6.687 -0.663 4.386 1.00 0.69 H new ATOM 0 HG22 VAL A 105 6.625 1.110 4.251 1.00 0.69 H new ATOM 0 HG23 VAL A 105 5.151 0.196 4.651 1.00 0.69 H new ATOM 1360 N ASN A 106 2.646 0.469 1.862 1.00 0.22 N ATOM 1361 CA ASN A 106 1.243 0.310 2.177 1.00 0.24 C ATOM 1362 C ASN A 106 0.801 -1.051 1.672 1.00 0.23 C ATOM 1363 O ASN A 106 1.260 -1.473 0.624 1.00 0.29 O ATOM 1364 CB ASN A 106 0.473 1.437 1.493 1.00 0.37 C ATOM 1365 CG ASN A 106 -0.726 1.911 2.277 1.00 0.51 C ATOM 1366 OD1 ASN A 106 -0.820 1.707 3.481 1.00 0.91 O ATOM 1367 ND2 ASN A 106 -1.627 2.599 1.604 1.00 0.88 N ATOM 0 H ASN A 106 2.919 0.070 0.964 1.00 0.22 H new ATOM 0 HA ASN A 106 1.056 0.362 3.250 1.00 0.24 H new ATOM 0 HB2 ASN A 106 1.146 2.279 1.330 1.00 0.37 H new ATOM 0 HB3 ASN A 106 0.144 1.097 0.511 1.00 0.37 H new ATOM 0 HD21 ASN A 106 -2.439 2.984 2.086 1.00 0.88 H new ATOM 0 HD22 ASN A 106 -1.512 2.747 0.601 1.00 0.88 H new ATOM 1374 N VAL A 107 -0.047 -1.758 2.402 1.00 0.20 N ATOM 1375 CA VAL A 107 -0.371 -3.134 2.018 1.00 0.21 C ATOM 1376 C VAL A 107 -1.859 -3.380 1.869 1.00 0.20 C ATOM 1377 O VAL A 107 -2.682 -2.737 2.518 1.00 0.21 O ATOM 1378 CB VAL A 107 0.183 -4.169 3.015 1.00 0.26 C ATOM 1379 CG1 VAL A 107 1.694 -4.270 2.910 1.00 0.30 C ATOM 1380 CG2 VAL A 107 -0.224 -3.830 4.434 1.00 0.27 C ATOM 0 H VAL A 107 -0.515 -1.419 3.242 1.00 0.20 H new ATOM 0 HA VAL A 107 0.109 -3.260 1.047 1.00 0.21 H new ATOM 0 HB VAL A 107 -0.246 -5.138 2.758 1.00 0.26 H new ATOM 0 HG11 VAL A 107 2.060 -5.007 3.624 1.00 0.30 H new ATOM 0 HG12 VAL A 107 1.969 -4.575 1.900 1.00 0.30 H new ATOM 0 HG13 VAL A 107 2.140 -3.300 3.130 1.00 0.30 H new ATOM 0 HG21 VAL A 107 0.181 -4.577 5.117 1.00 0.27 H new ATOM 0 HG22 VAL A 107 0.165 -2.847 4.699 1.00 0.27 H new ATOM 0 HG23 VAL A 107 -1.311 -3.822 4.508 1.00 0.27 H new ATOM 1390 N GLY A 108 -2.182 -4.345 1.012 1.00 0.20 N ATOM 1391 CA GLY A 108 -3.555 -4.745 0.802 1.00 0.20 C ATOM 1392 C GLY A 108 -4.372 -3.633 0.200 1.00 0.15 C ATOM 1393 O GLY A 108 -5.431 -3.286 0.712 1.00 0.16 O ATOM 0 H GLY A 108 -1.503 -4.861 0.453 1.00 0.20 H new ATOM 0 HA2 GLY A 108 -3.585 -5.615 0.146 1.00 0.20 H new ATOM 0 HA3 GLY A 108 -3.996 -5.047 1.752 1.00 0.20 H new ATOM 1397 N CYS A 109 -3.875 -3.072 -0.887 1.00 0.13 N ATOM 1398 CA CYS A 109 -4.510 -1.917 -1.492 1.00 0.13 C ATOM 1399 C CYS A 109 -5.398 -2.317 -2.658 1.00 0.13 C ATOM 1400 O CYS A 109 -4.975 -3.043 -3.550 1.00 0.13 O ATOM 1401 CB CYS A 109 -3.454 -0.919 -1.969 1.00 0.16 C ATOM 1402 SG CYS A 109 -2.405 -0.258 -0.633 1.00 0.43 S ATOM 0 H CYS A 109 -3.036 -3.397 -1.368 1.00 0.13 H new ATOM 0 HA CYS A 109 -5.135 -1.449 -0.731 1.00 0.13 H new ATOM 0 HB2 CYS A 109 -2.819 -1.404 -2.710 1.00 0.16 H new ATOM 0 HB3 CYS A 109 -3.953 -0.089 -2.470 1.00 0.16 H new ATOM 1407 N THR A 110 -6.635 -1.850 -2.625 1.00 0.16 N ATOM 1408 CA THR A 110 -7.562 -2.036 -3.726 1.00 0.19 C ATOM 1409 C THR A 110 -8.079 -0.677 -4.189 1.00 0.20 C ATOM 1410 O THR A 110 -8.534 0.125 -3.368 1.00 0.21 O ATOM 1411 CB THR A 110 -8.752 -2.935 -3.320 1.00 0.24 C ATOM 1412 OG1 THR A 110 -9.334 -2.467 -2.094 1.00 0.25 O ATOM 1413 CG2 THR A 110 -8.314 -4.383 -3.159 1.00 0.30 C ATOM 0 H THR A 110 -7.023 -1.333 -1.836 1.00 0.16 H new ATOM 0 HA THR A 110 -7.030 -2.531 -4.539 1.00 0.19 H new ATOM 0 HB THR A 110 -9.496 -2.885 -4.115 1.00 0.24 H new ATOM 0 HG1 THR A 110 -9.201 -1.499 -2.017 1.00 0.25 H new ATOM 0 HG21 THR A 110 -9.171 -4.993 -2.873 1.00 0.30 H new ATOM 0 HG22 THR A 110 -7.908 -4.747 -4.103 1.00 0.30 H new ATOM 0 HG23 THR A 110 -7.549 -4.448 -2.386 1.00 0.30 H new ATOM 1421 N PRO A 111 -7.957 -0.376 -5.494 1.00 0.23 N ATOM 1422 CA PRO A 111 -8.463 0.876 -6.080 1.00 0.25 C ATOM 1423 C PRO A 111 -9.915 1.143 -5.709 1.00 0.28 C ATOM 1424 O PRO A 111 -10.827 0.458 -6.178 1.00 0.34 O ATOM 1425 CB PRO A 111 -8.317 0.639 -7.585 1.00 0.28 C ATOM 1426 CG PRO A 111 -7.179 -0.316 -7.696 1.00 0.30 C ATOM 1427 CD PRO A 111 -7.290 -1.222 -6.502 1.00 0.32 C ATOM 0 HA PRO A 111 -7.921 1.750 -5.720 1.00 0.25 H new ATOM 0 HB2 PRO A 111 -9.229 0.223 -8.013 1.00 0.28 H new ATOM 0 HB3 PRO A 111 -8.110 1.568 -8.116 1.00 0.28 H new ATOM 0 HG2 PRO A 111 -7.234 -0.884 -8.625 1.00 0.30 H new ATOM 0 HG3 PRO A 111 -6.225 0.211 -7.700 1.00 0.30 H new ATOM 0 HD2 PRO A 111 -7.873 -2.115 -6.727 1.00 0.32 H new ATOM 0 HD3 PRO A 111 -6.311 -1.559 -6.160 1.00 0.32 H new ATOM 1435 N ILE A 112 -10.117 2.142 -4.860 1.00 0.29 N ATOM 1436 CA ILE A 112 -11.442 2.472 -4.368 1.00 0.36 C ATOM 1437 C ILE A 112 -12.145 3.449 -5.298 1.00 0.52 C ATOM 1438 O ILE A 112 -11.558 4.434 -5.750 1.00 0.57 O ATOM 1439 CB ILE A 112 -11.400 3.074 -2.938 1.00 0.35 C ATOM 1440 CG1 ILE A 112 -12.794 3.571 -2.533 1.00 0.49 C ATOM 1441 CG2 ILE A 112 -10.383 4.203 -2.852 1.00 0.37 C ATOM 1442 CD1 ILE A 112 -12.853 4.247 -1.180 1.00 0.59 C ATOM 0 H ILE A 112 -9.374 2.739 -4.498 1.00 0.29 H new ATOM 0 HA ILE A 112 -11.999 1.536 -4.334 1.00 0.36 H new ATOM 0 HB ILE A 112 -11.091 2.292 -2.245 1.00 0.35 H new ATOM 0 HG12 ILE A 112 -13.150 4.270 -3.290 1.00 0.49 H new ATOM 0 HG13 ILE A 112 -13.481 2.725 -2.532 1.00 0.49 H new ATOM 0 HG21 ILE A 112 -10.373 4.608 -1.840 1.00 0.37 H new ATOM 0 HG22 ILE A 112 -9.393 3.820 -3.099 1.00 0.37 H new ATOM 0 HG23 ILE A 112 -10.654 4.991 -3.555 1.00 0.37 H new ATOM 0 HD11 ILE A 112 -13.875 4.566 -0.977 1.00 0.59 H new ATOM 0 HD12 ILE A 112 -12.531 3.547 -0.409 1.00 0.59 H new ATOM 0 HD13 ILE A 112 -12.195 5.116 -1.178 1.00 0.59 H new ATOM 1454 N ASN A 113 -13.396 3.155 -5.597 1.00 0.73 N ATOM 1455 CA ASN A 113 -14.237 4.083 -6.322 1.00 0.97 C ATOM 1456 C ASN A 113 -14.980 4.937 -5.307 1.00 1.12 C ATOM 1457 O ASN A 113 -15.983 4.503 -4.743 1.00 1.25 O ATOM 1458 CB ASN A 113 -15.230 3.328 -7.213 1.00 1.20 C ATOM 1459 CG ASN A 113 -14.551 2.370 -8.179 1.00 1.72 C ATOM 1460 OD1 ASN A 113 -14.164 2.749 -9.284 1.00 2.38 O ATOM 1461 ND2 ASN A 113 -14.411 1.114 -7.774 1.00 2.39 N ATOM 0 H ASN A 113 -13.852 2.277 -5.347 1.00 0.73 H new ATOM 0 HA ASN A 113 -13.626 4.713 -6.969 1.00 0.97 H new ATOM 0 HB2 ASN A 113 -15.923 2.770 -6.584 1.00 1.20 H new ATOM 0 HB3 ASN A 113 -15.822 4.047 -7.779 1.00 1.20 H new ATOM 0 HD21 ASN A 113 -13.970 0.427 -8.386 1.00 2.39 H new ATOM 0 HD22 ASN A 113 -14.744 0.836 -6.851 1.00 2.39 H new ATOM 1468 N ILE A 114 -14.484 6.143 -5.061 1.00 1.20 N ATOM 1469 CA ILE A 114 -15.015 6.970 -3.979 1.00 1.45 C ATOM 1470 C ILE A 114 -16.434 7.469 -4.258 1.00 1.73 C ATOM 1471 O ILE A 114 -17.184 7.750 -3.327 1.00 2.02 O ATOM 1472 CB ILE A 114 -14.082 8.154 -3.605 1.00 1.58 C ATOM 1473 CG1 ILE A 114 -13.317 8.700 -4.816 1.00 1.55 C ATOM 1474 CG2 ILE A 114 -13.105 7.728 -2.521 1.00 1.66 C ATOM 1475 CD1 ILE A 114 -14.193 9.320 -5.876 1.00 1.76 C ATOM 0 H ILE A 114 -13.722 6.569 -5.589 1.00 1.20 H new ATOM 0 HA ILE A 114 -15.061 6.307 -3.115 1.00 1.45 H new ATOM 0 HB ILE A 114 -14.716 8.959 -3.233 1.00 1.58 H new ATOM 0 HG12 ILE A 114 -12.600 9.446 -4.472 1.00 1.55 H new ATOM 0 HG13 ILE A 114 -12.743 7.889 -5.264 1.00 1.55 H new ATOM 0 HG21 ILE A 114 -12.456 8.566 -2.267 1.00 1.66 H new ATOM 0 HG22 ILE A 114 -13.658 7.415 -1.635 1.00 1.66 H new ATOM 0 HG23 ILE A 114 -12.500 6.897 -2.883 1.00 1.66 H new ATOM 0 HD11 ILE A 114 -13.572 9.680 -6.696 1.00 1.76 H new ATOM 0 HD12 ILE A 114 -14.893 8.574 -6.252 1.00 1.76 H new ATOM 0 HD13 ILE A 114 -14.748 10.155 -5.447 1.00 1.76 H new ATOM 1487 N GLY A 115 -16.805 7.568 -5.527 1.00 1.73 N ATOM 1488 CA GLY A 115 -18.171 7.922 -5.870 1.00 2.10 C ATOM 1489 C GLY A 115 -18.382 9.408 -6.089 1.00 2.28 C ATOM 1490 O GLY A 115 -19.444 9.822 -6.559 1.00 2.61 O ATOM 0 H GLY A 115 -16.188 7.410 -6.324 1.00 1.73 H new ATOM 0 HA2 GLY A 115 -18.459 7.386 -6.775 1.00 2.10 H new ATOM 0 HA3 GLY A 115 -18.835 7.584 -5.074 1.00 2.10 H new ATOM 1494 N LEU A 116 -17.397 10.220 -5.739 1.00 2.27 N ATOM 1495 CA LEU A 116 -17.493 11.653 -5.957 1.00 2.75 C ATOM 1496 C LEU A 116 -16.458 12.105 -6.978 1.00 2.85 C ATOM 1497 O LEU A 116 -15.277 12.270 -6.618 1.00 3.10 O ATOM 1498 CB LEU A 116 -17.365 12.441 -4.643 1.00 3.18 C ATOM 1499 CG LEU A 116 -16.080 12.235 -3.835 1.00 3.15 C ATOM 1500 CD1 LEU A 116 -15.827 13.450 -2.961 1.00 3.66 C ATOM 1501 CD2 LEU A 116 -16.174 10.988 -2.968 1.00 3.69 C ATOM 1502 OXT LEU A 116 -16.830 12.284 -8.158 1.00 3.15 O ATOM 0 H LEU A 116 -16.527 9.913 -5.305 1.00 2.27 H new ATOM 0 HA LEU A 116 -18.485 11.865 -6.357 1.00 2.75 H new ATOM 0 HB2 LEU A 116 -17.454 13.503 -4.874 1.00 3.18 H new ATOM 0 HB3 LEU A 116 -18.211 12.181 -4.007 1.00 3.18 H new ATOM 0 HG LEU A 116 -15.252 12.105 -4.532 1.00 3.15 H new ATOM 0 HD11 LEU A 116 -14.912 13.301 -2.387 1.00 3.66 H new ATOM 0 HD12 LEU A 116 -15.721 14.334 -3.589 1.00 3.66 H new ATOM 0 HD13 LEU A 116 -16.665 13.588 -2.278 1.00 3.66 H new ATOM 0 HD21 LEU A 116 -15.249 10.866 -2.405 1.00 3.69 H new ATOM 0 HD22 LEU A 116 -17.009 11.089 -2.275 1.00 3.69 H new ATOM 0 HD23 LEU A 116 -16.331 10.115 -3.602 1.00 3.69 H new TER 1514 LEU A 116