USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 58 TYR OH : rot -90:sc= 0.827 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.00619 X(o=0.83,f=1) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0.137 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.0067 X(o=0.13,f=0.42) USER MOD Set 3.1: A 1 GLN : amide:sc= -2.32! K(o=-1!,f=-2.2) USER MOD Set 3.2: A 24 SER OG : rot 69:sc= 1.28 USER MOD Single : A 1 GLN N :NH3+ -99:sc= 0.0595 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= 2.21 (180deg=2.05) USER MOD Single : A 19 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.2!) USER MOD Single : A 22 TYR OH : rot 8:sc= -2.54! USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.1) USER MOD Single : A 31 ASN : amide:sc= -1.44! X(o=-1.4!,f=-1.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.765) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 0.575 (180deg=0.0988) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -54:sc= 2.39 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 68 LYS NZ :NH3+ 135:sc= 1.3 (180deg=0.593) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 12:sc= -0.843 USER MOD Single : A 77 MET CE :methyl 174:sc= -0.207 (180deg=-0.255) USER MOD Single : A 78 SER OG : rot 180:sc= -0.126 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 162:sc= -0.34 (180deg=-1.08) USER MOD Single : A 84 MET CE :methyl -176:sc= -1.19 (180deg=-1.42) USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0837) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0648) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 1.52 (180deg=1.52) USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= -0.0116 (180deg=-0.156) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -133:sc= 1.27 (180deg=-0.0834) USER MOD Single : A 102 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 104 LYS NZ :NH3+ -149:sc= 1.02 (180deg=0.55) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.368 0.181 10.088 1.00 0.00 N ATOM 2 CA GLN A 1 -10.109 0.695 9.508 1.00 0.00 C ATOM 3 C GLN A 1 -9.073 0.970 10.585 1.00 0.00 C ATOM 4 O GLN A 1 -9.400 0.980 11.770 1.00 0.00 O ATOM 5 CB GLN A 1 -10.372 1.976 8.715 1.00 0.00 C ATOM 6 CG GLN A 1 -10.535 1.738 7.227 1.00 0.00 C ATOM 7 CD GLN A 1 -9.306 1.092 6.623 1.00 0.00 C ATOM 8 OE1 GLN A 1 -8.183 1.301 7.094 1.00 0.00 O ATOM 9 NE2 GLN A 1 -9.508 0.296 5.590 1.00 0.00 N ATOM 0 H1 GLN A 1 -11.394 -0.855 9.998 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.419 0.442 11.093 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.177 0.593 9.582 1.00 0.00 H new ATOM 0 HA GLN A 1 -9.718 -0.073 8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.272 2.455 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.548 2.671 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.403 1.101 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -10.730 2.686 6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -10.453 0.152 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -8.719 -0.176 5.148 1.00 0.00 H new ATOM 20 N GLU A 2 -7.825 1.167 10.135 1.00 0.00 N ATOM 21 CA GLU A 2 -6.684 1.571 10.976 1.00 0.00 C ATOM 22 C GLU A 2 -6.341 0.546 12.063 1.00 0.00 C ATOM 23 O GLU A 2 -7.159 -0.291 12.446 1.00 0.00 O ATOM 24 CB GLU A 2 -6.919 2.958 11.605 1.00 0.00 C ATOM 25 CG GLU A 2 -7.645 2.941 12.945 1.00 0.00 C ATOM 26 CD GLU A 2 -7.945 4.329 13.461 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.024 4.982 13.993 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.099 4.782 13.330 1.00 0.00 O ATOM 0 H GLU A 2 -7.573 1.048 9.154 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.825 1.623 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.955 3.449 11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.493 3.566 10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.578 2.386 12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.037 2.409 13.677 1.00 0.00 H new ATOM 35 N ALA A 3 -5.099 0.603 12.525 1.00 0.00 N ATOM 36 CA ALA A 3 -4.658 -0.196 13.655 1.00 0.00 C ATOM 37 C ALA A 3 -4.433 0.714 14.852 1.00 0.00 C ATOM 38 O ALA A 3 -3.964 1.845 14.693 1.00 0.00 O ATOM 39 CB ALA A 3 -3.384 -0.949 13.309 1.00 0.00 C ATOM 0 H ALA A 3 -4.374 1.201 12.128 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.425 -0.930 13.900 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.068 -1.542 14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.570 -1.608 12.461 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.600 -0.238 13.051 1.00 0.00 H new ATOM 45 N GLY A 4 -4.769 0.216 16.037 1.00 0.00 N ATOM 46 CA GLY A 4 -4.711 1.023 17.243 1.00 0.00 C ATOM 47 C GLY A 4 -3.333 1.589 17.516 1.00 0.00 C ATOM 48 O GLY A 4 -2.396 0.850 17.829 1.00 0.00 O ATOM 0 H GLY A 4 -5.084 -0.743 16.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.423 1.844 17.158 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.023 0.417 18.094 1.00 0.00 H new ATOM 52 N GLY A 5 -3.209 2.902 17.379 1.00 0.00 N ATOM 53 CA GLY A 5 -1.953 3.563 17.661 1.00 0.00 C ATOM 54 C GLY A 5 -1.367 4.236 16.439 1.00 0.00 C ATOM 55 O GLY A 5 -0.483 5.086 16.561 1.00 0.00 O ATOM 0 H GLY A 5 -3.960 3.522 17.076 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.105 4.306 18.444 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.241 2.834 18.047 1.00 0.00 H new ATOM 59 N ARG A 6 -1.866 3.853 15.263 1.00 0.00 N ATOM 60 CA ARG A 6 -1.378 4.388 13.987 1.00 0.00 C ATOM 61 C ARG A 6 0.140 4.214 13.839 1.00 0.00 C ATOM 62 O ARG A 6 0.859 5.185 13.603 1.00 0.00 O ATOM 63 CB ARG A 6 -1.746 5.871 13.857 1.00 0.00 C ATOM 64 CG ARG A 6 -3.239 6.128 13.744 1.00 0.00 C ATOM 65 CD ARG A 6 -3.795 5.579 12.443 1.00 0.00 C ATOM 66 NE ARG A 6 -5.216 5.870 12.285 1.00 0.00 N ATOM 67 CZ ARG A 6 -5.728 6.563 11.271 1.00 0.00 C ATOM 68 NH1 ARG A 6 -4.931 7.121 10.370 1.00 0.00 N ATOM 69 NH2 ARG A 6 -7.040 6.725 11.176 1.00 0.00 N ATOM 0 H ARG A 6 -2.615 3.168 15.166 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.860 3.822 13.190 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.359 6.408 14.723 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.249 6.283 12.979 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.755 5.666 14.586 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.431 7.199 13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.243 6.005 11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.641 4.500 12.410 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.857 5.520 12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.919 7.020 10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.330 7.651 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.656 6.319 11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.433 7.256 10.399 1.00 0.00 H new ATOM 83 N PRO A 7 0.654 2.979 13.965 1.00 0.00 N ATOM 84 CA PRO A 7 2.075 2.696 13.906 1.00 0.00 C ATOM 85 C PRO A 7 2.514 2.235 12.521 1.00 0.00 C ATOM 86 O PRO A 7 2.835 1.059 12.321 1.00 0.00 O ATOM 87 CB PRO A 7 2.223 1.556 14.921 1.00 0.00 C ATOM 88 CG PRO A 7 0.843 0.975 15.094 1.00 0.00 C ATOM 89 CD PRO A 7 -0.084 1.738 14.182 1.00 0.00 C ATOM 0 HA PRO A 7 2.688 3.572 14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.922 0.801 14.561 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.613 1.926 15.869 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.839 -0.086 14.845 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.518 1.060 16.131 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.268 1.205 13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.055 1.917 14.644 1.00 0.00 H new ATOM 97 N GLY A 8 2.524 3.151 11.561 1.00 0.00 N ATOM 98 CA GLY A 8 2.885 2.775 10.212 1.00 0.00 C ATOM 99 C GLY A 8 4.384 2.808 9.988 1.00 0.00 C ATOM 100 O GLY A 8 4.930 1.950 9.299 1.00 0.00 O ATOM 0 H GLY A 8 2.291 4.136 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.511 1.773 10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.399 3.449 9.507 1.00 0.00 H new ATOM 104 N ALA A 9 5.038 3.795 10.598 1.00 0.00 N ATOM 105 CA ALA A 9 6.463 4.057 10.395 1.00 0.00 C ATOM 106 C ALA A 9 6.871 5.322 11.148 1.00 0.00 C ATOM 107 O ALA A 9 6.897 5.339 12.378 1.00 0.00 O ATOM 108 CB ALA A 9 6.786 4.204 8.911 1.00 0.00 C ATOM 0 H ALA A 9 4.592 4.439 11.251 1.00 0.00 H new ATOM 0 HA ALA A 9 7.027 3.209 10.783 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.851 4.398 8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.522 3.285 8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.216 5.034 8.495 1.00 0.00 H new ATOM 114 N ASP A 10 7.161 6.387 10.406 1.00 0.00 N ATOM 115 CA ASP A 10 7.397 7.695 10.991 1.00 0.00 C ATOM 116 C ASP A 10 6.967 8.769 10.000 1.00 0.00 C ATOM 117 O ASP A 10 6.444 9.812 10.392 1.00 0.00 O ATOM 118 CB ASP A 10 8.865 7.883 11.401 1.00 0.00 C ATOM 119 CG ASP A 10 9.811 8.100 10.235 1.00 0.00 C ATOM 120 OD1 ASP A 10 9.970 9.262 9.801 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.408 7.112 9.755 1.00 0.00 O ATOM 0 H ASP A 10 7.238 6.364 9.389 1.00 0.00 H new ATOM 0 HA ASP A 10 6.805 7.780 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.936 8.736 12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.190 7.006 11.960 1.00 0.00 H new ATOM 126 N CYS A 11 7.171 8.500 8.712 1.00 0.00 N ATOM 127 CA CYS A 11 6.678 9.375 7.658 1.00 0.00 C ATOM 128 C CYS A 11 5.160 9.336 7.620 1.00 0.00 C ATOM 129 O CYS A 11 4.566 8.411 7.078 1.00 0.00 O ATOM 130 CB CYS A 11 7.270 8.977 6.308 1.00 0.00 C ATOM 131 SG CYS A 11 9.047 9.342 6.163 1.00 0.00 S ATOM 0 H CYS A 11 7.676 7.680 8.376 1.00 0.00 H new ATOM 0 HA CYS A 11 6.992 10.397 7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.112 7.910 6.150 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.733 9.499 5.516 1.00 0.00 H new ATOM 136 N GLU A 12 4.568 10.377 8.178 1.00 0.00 N ATOM 137 CA GLU A 12 3.152 10.428 8.533 1.00 0.00 C ATOM 138 C GLU A 12 2.216 9.917 7.430 1.00 0.00 C ATOM 139 O GLU A 12 1.484 8.960 7.643 1.00 0.00 O ATOM 140 CB GLU A 12 2.825 11.874 8.906 1.00 0.00 C ATOM 141 CG GLU A 12 1.413 12.116 9.400 1.00 0.00 C ATOM 142 CD GLU A 12 1.261 13.518 9.951 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.687 14.478 9.276 1.00 0.00 O ATOM 144 OE2 GLU A 12 0.760 13.668 11.083 1.00 0.00 O ATOM 0 H GLU A 12 5.069 11.236 8.405 1.00 0.00 H new ATOM 0 HA GLU A 12 2.982 9.753 9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.522 12.198 9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.999 12.504 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.708 11.965 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.165 11.389 10.174 1.00 0.00 H new ATOM 151 N VAL A 13 2.237 10.534 6.261 1.00 0.00 N ATOM 152 CA VAL A 13 1.307 10.145 5.198 1.00 0.00 C ATOM 153 C VAL A 13 1.572 8.713 4.742 1.00 0.00 C ATOM 154 O VAL A 13 0.657 7.890 4.645 1.00 0.00 O ATOM 155 CB VAL A 13 1.401 11.097 3.990 1.00 0.00 C ATOM 156 CG1 VAL A 13 0.314 10.797 2.969 1.00 0.00 C ATOM 157 CG2 VAL A 13 1.311 12.535 4.453 1.00 0.00 C ATOM 0 H VAL A 13 2.873 11.294 6.019 1.00 0.00 H new ATOM 0 HA VAL A 13 0.300 10.209 5.611 1.00 0.00 H new ATOM 0 HB VAL A 13 2.365 10.941 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.405 11.484 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.422 9.772 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.665 10.919 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.378 13.199 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.360 12.695 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.130 12.748 5.140 1.00 0.00 H new ATOM 167 N CYS A 14 2.837 8.428 4.495 1.00 0.00 N ATOM 168 CA CYS A 14 3.275 7.113 4.050 1.00 0.00 C ATOM 169 C CYS A 14 2.906 6.023 5.060 1.00 0.00 C ATOM 170 O CYS A 14 2.353 4.983 4.693 1.00 0.00 O ATOM 171 CB CYS A 14 4.787 7.153 3.822 1.00 0.00 C ATOM 172 SG CYS A 14 5.590 5.528 3.690 1.00 0.00 S ATOM 0 H CYS A 14 3.595 9.103 4.597 1.00 0.00 H new ATOM 0 HA CYS A 14 2.766 6.865 3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.986 7.715 2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.248 7.703 4.642 1.00 0.00 H new ATOM 177 N LYS A 15 3.187 6.279 6.335 1.00 0.00 N ATOM 178 CA LYS A 15 2.964 5.292 7.383 1.00 0.00 C ATOM 179 C LYS A 15 1.483 4.978 7.541 1.00 0.00 C ATOM 180 O LYS A 15 1.108 3.826 7.762 1.00 0.00 O ATOM 181 CB LYS A 15 3.554 5.769 8.722 1.00 0.00 C ATOM 182 CG LYS A 15 2.925 7.037 9.281 1.00 0.00 C ATOM 183 CD LYS A 15 3.630 7.516 10.542 1.00 0.00 C ATOM 184 CE LYS A 15 3.109 6.821 11.789 1.00 0.00 C ATOM 185 NZ LYS A 15 1.749 7.291 12.166 1.00 0.00 N ATOM 0 H LYS A 15 3.570 7.164 6.666 1.00 0.00 H new ATOM 0 HA LYS A 15 3.475 4.377 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.443 4.971 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.623 5.937 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.960 7.822 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.873 6.853 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.701 7.336 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.495 8.593 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.086 5.744 11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.796 6.999 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.311 6.604 12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.820 8.214 12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.164 7.384 11.311 1.00 0.00 H new ATOM 199 N GLU A 16 0.645 6.000 7.416 1.00 0.00 N ATOM 200 CA GLU A 16 -0.789 5.819 7.557 1.00 0.00 C ATOM 201 C GLU A 16 -1.328 4.934 6.446 1.00 0.00 C ATOM 202 O GLU A 16 -2.151 4.054 6.693 1.00 0.00 O ATOM 203 CB GLU A 16 -1.517 7.163 7.548 1.00 0.00 C ATOM 204 CG GLU A 16 -1.110 8.083 8.684 1.00 0.00 C ATOM 205 CD GLU A 16 -1.230 7.422 10.037 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.335 7.450 10.610 1.00 0.00 O ATOM 207 OE2 GLU A 16 -0.222 6.876 10.529 1.00 0.00 O ATOM 0 H GLU A 16 0.935 6.958 7.218 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.969 5.334 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.325 7.664 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.591 6.985 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.081 8.408 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.733 8.977 8.664 1.00 0.00 H new ATOM 214 N PHE A 17 -0.865 5.166 5.223 1.00 0.00 N ATOM 215 CA PHE A 17 -1.324 4.379 4.088 1.00 0.00 C ATOM 216 C PHE A 17 -0.948 2.914 4.264 1.00 0.00 C ATOM 217 O PHE A 17 -1.808 2.036 4.167 1.00 0.00 O ATOM 218 CB PHE A 17 -0.753 4.913 2.773 1.00 0.00 C ATOM 219 CG PHE A 17 -1.301 4.212 1.557 1.00 0.00 C ATOM 220 CD1 PHE A 17 -0.690 3.068 1.062 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.431 4.691 0.914 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.196 2.418 -0.047 1.00 0.00 C ATOM 223 CE2 PHE A 17 -2.939 4.046 -0.198 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.320 2.907 -0.678 1.00 0.00 C ATOM 0 H PHE A 17 -0.179 5.885 4.995 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.410 4.463 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.969 5.979 2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.332 4.808 2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.192 2.681 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.921 5.579 1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.711 1.528 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.819 4.432 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.716 2.401 -1.546 1.00 0.00 H new ATOM 234 N LEU A 18 0.328 2.653 4.550 1.00 0.00 N ATOM 235 CA LEU A 18 0.814 1.291 4.664 1.00 0.00 C ATOM 236 C LEU A 18 0.117 0.565 5.800 1.00 0.00 C ATOM 237 O LEU A 18 -0.484 -0.477 5.584 1.00 0.00 O ATOM 238 CB LEU A 18 2.330 1.275 4.897 1.00 0.00 C ATOM 239 CG LEU A 18 3.188 1.902 3.796 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.609 2.102 4.292 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.193 1.030 2.552 1.00 0.00 C ATOM 0 H LEU A 18 1.037 3.370 4.705 1.00 0.00 H new ATOM 0 HA LEU A 18 0.593 0.778 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.539 1.795 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.646 0.240 5.030 1.00 0.00 H new ATOM 0 HG LEU A 18 2.758 2.870 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.211 2.549 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.602 2.762 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.035 1.139 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.809 1.496 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.599 0.049 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.174 0.919 2.182 1.00 0.00 H new ATOM 253 N ASN A 19 0.170 1.142 6.997 1.00 0.00 N ATOM 254 CA ASN A 19 -0.351 0.480 8.190 1.00 0.00 C ATOM 255 C ASN A 19 -1.828 0.134 8.047 1.00 0.00 C ATOM 256 O ASN A 19 -2.242 -0.982 8.364 1.00 0.00 O ATOM 257 CB ASN A 19 -0.139 1.349 9.430 1.00 0.00 C ATOM 258 CG ASN A 19 -0.623 0.667 10.696 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.759 0.867 11.129 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.236 -0.149 11.289 1.00 0.00 N ATOM 0 H ASN A 19 0.568 2.066 7.167 1.00 0.00 H new ATOM 0 HA ASN A 19 0.204 -0.451 8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.920 1.586 9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.667 2.294 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.033 -0.642 12.140 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.167 -0.284 10.894 1.00 0.00 H new ATOM 267 N ARG A 20 -2.619 1.081 7.557 1.00 0.00 N ATOM 268 CA ARG A 20 -4.047 0.850 7.388 1.00 0.00 C ATOM 269 C ARG A 20 -4.300 -0.246 6.367 1.00 0.00 C ATOM 270 O ARG A 20 -5.031 -1.190 6.647 1.00 0.00 O ATOM 271 CB ARG A 20 -4.773 2.132 6.976 1.00 0.00 C ATOM 272 CG ARG A 20 -4.926 3.144 8.099 1.00 0.00 C ATOM 273 CD ARG A 20 -5.523 4.445 7.588 1.00 0.00 C ATOM 274 NE ARG A 20 -4.652 5.078 6.599 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.020 6.076 5.796 1.00 0.00 C ATOM 276 NH1 ARG A 20 -6.254 6.557 5.836 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.150 6.594 4.943 1.00 0.00 N ATOM 0 H ARG A 20 -2.299 2.007 7.272 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.443 0.529 8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.229 2.597 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.762 1.872 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.563 2.730 8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.954 3.340 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.499 4.250 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.683 5.127 8.423 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.696 4.732 6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.934 6.163 6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.524 7.321 5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.198 6.229 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.431 7.358 4.328 1.00 0.00 H new ATOM 291 N PHE A 21 -3.671 -0.130 5.202 1.00 0.00 N ATOM 292 CA PHE A 21 -3.804 -1.132 4.150 1.00 0.00 C ATOM 293 C PHE A 21 -3.425 -2.500 4.680 1.00 0.00 C ATOM 294 O PHE A 21 -4.138 -3.494 4.512 1.00 0.00 O ATOM 295 CB PHE A 21 -2.861 -0.786 2.998 1.00 0.00 C ATOM 296 CG PHE A 21 -2.815 -1.836 1.924 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.897 -2.050 1.088 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.686 -2.621 1.766 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.853 -3.030 0.117 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.634 -3.598 0.795 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.718 -3.804 -0.030 1.00 0.00 C ATOM 0 H PHE A 21 -3.061 0.652 4.962 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.839 -1.143 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.172 0.161 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.856 -0.638 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.785 -1.444 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.835 -2.466 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.705 -3.192 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.745 -4.201 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.681 -4.570 -0.791 1.00 0.00 H new ATOM 311 N TYR A 22 -2.296 -2.492 5.346 1.00 0.00 N ATOM 312 CA TYR A 22 -1.616 -3.676 5.798 1.00 0.00 C ATOM 313 C TYR A 22 -2.495 -4.547 6.688 1.00 0.00 C ATOM 314 O TYR A 22 -2.660 -5.739 6.427 1.00 0.00 O ATOM 315 CB TYR A 22 -0.361 -3.213 6.522 1.00 0.00 C ATOM 316 CG TYR A 22 0.638 -4.291 6.814 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.738 -5.406 5.996 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.508 -4.172 7.883 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.681 -6.375 6.238 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.451 -5.140 8.134 1.00 0.00 C ATOM 321 CZ TYR A 22 2.531 -6.236 7.308 1.00 0.00 C ATOM 322 OH TYR A 22 3.474 -7.186 7.544 1.00 0.00 O ATOM 0 H TYR A 22 -1.811 -1.630 5.595 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.360 -4.310 4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.123 -2.443 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.654 -2.746 7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.066 -5.514 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.445 -3.308 8.528 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.753 -7.238 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.124 -5.040 8.973 1.00 0.00 H new ATOM 0 HH TYR A 22 3.494 -7.819 6.797 1.00 0.00 H new ATOM 332 N LYS A 23 -3.083 -3.963 7.718 1.00 0.00 N ATOM 333 CA LYS A 23 -3.881 -4.742 8.644 1.00 0.00 C ATOM 334 C LYS A 23 -5.300 -4.932 8.116 1.00 0.00 C ATOM 335 O LYS A 23 -5.976 -5.896 8.475 1.00 0.00 O ATOM 336 CB LYS A 23 -3.866 -4.096 10.030 1.00 0.00 C ATOM 337 CG LYS A 23 -4.340 -2.652 10.065 1.00 0.00 C ATOM 338 CD LYS A 23 -5.840 -2.555 10.251 1.00 0.00 C ATOM 339 CE LYS A 23 -6.281 -3.246 11.535 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.695 -2.955 11.877 1.00 0.00 N ATOM 0 H LYS A 23 -3.024 -2.967 7.931 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.442 -5.735 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.494 -4.686 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.851 -4.140 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.839 -2.125 10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.056 -2.154 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.139 -1.507 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.345 -3.009 9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.150 -4.323 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.638 -2.927 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.993 -3.563 12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.787 -1.957 12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.298 -3.141 11.050 1.00 0.00 H new ATOM 354 N SER A 24 -5.737 -4.028 7.243 1.00 0.00 N ATOM 355 CA SER A 24 -7.051 -4.148 6.615 1.00 0.00 C ATOM 356 C SER A 24 -7.177 -5.478 5.883 1.00 0.00 C ATOM 357 O SER A 24 -8.184 -6.162 6.003 1.00 0.00 O ATOM 358 CB SER A 24 -7.304 -2.991 5.643 1.00 0.00 C ATOM 359 OG SER A 24 -7.509 -1.777 6.339 1.00 0.00 O ATOM 0 H SER A 24 -5.204 -3.208 6.955 1.00 0.00 H new ATOM 0 HA SER A 24 -7.801 -4.107 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.455 -2.887 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.176 -3.213 5.028 1.00 0.00 H new ATOM 0 HG SER A 24 -6.672 -1.499 6.766 1.00 0.00 H new ATOM 365 N LEU A 25 -6.137 -5.848 5.149 1.00 0.00 N ATOM 366 CA LEU A 25 -6.113 -7.114 4.420 1.00 0.00 C ATOM 367 C LEU A 25 -6.163 -8.304 5.366 1.00 0.00 C ATOM 368 O LEU A 25 -6.668 -9.361 5.004 1.00 0.00 O ATOM 369 CB LEU A 25 -4.864 -7.185 3.550 1.00 0.00 C ATOM 370 CG LEU A 25 -5.075 -6.751 2.105 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.905 -5.476 2.040 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.735 -6.565 1.416 1.00 0.00 C ATOM 0 H LEU A 25 -5.292 -5.287 5.041 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.999 -7.157 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.091 -6.559 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.489 -8.208 3.558 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.626 -7.532 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.043 -5.184 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.878 -5.651 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.389 -4.678 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.897 -6.255 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.160 -5.801 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.185 -7.506 1.430 1.00 0.00 H new ATOM 384 N ILE A 26 -5.656 -8.128 6.578 1.00 0.00 N ATOM 385 CA ILE A 26 -5.731 -9.177 7.583 1.00 0.00 C ATOM 386 C ILE A 26 -7.171 -9.301 8.055 1.00 0.00 C ATOM 387 O ILE A 26 -7.735 -10.392 8.123 1.00 0.00 O ATOM 388 CB ILE A 26 -4.821 -8.873 8.794 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.367 -8.688 8.347 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.922 -9.982 9.836 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.764 -9.916 7.699 1.00 0.00 C ATOM 0 H ILE A 26 -5.191 -7.274 6.887 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.389 -10.109 7.133 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.161 -7.942 9.248 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.316 -7.856 7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.764 -8.412 9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.273 -9.748 10.680 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.952 -10.064 10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.612 -10.928 9.392 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.734 -9.706 7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.781 -10.746 8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.342 -10.181 6.814 1.00 0.00 H new ATOM 403 N ASP A 27 -7.760 -8.149 8.335 1.00 0.00 N ATOM 404 CA ASP A 27 -9.135 -8.063 8.805 1.00 0.00 C ATOM 405 C ASP A 27 -10.128 -8.560 7.754 1.00 0.00 C ATOM 406 O ASP A 27 -11.025 -9.342 8.057 1.00 0.00 O ATOM 407 CB ASP A 27 -9.450 -6.611 9.183 1.00 0.00 C ATOM 408 CG ASP A 27 -10.896 -6.406 9.578 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.238 -6.653 10.754 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.693 -5.982 8.715 1.00 0.00 O ATOM 0 H ASP A 27 -7.297 -7.245 8.243 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.238 -8.707 9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.807 -6.308 10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.213 -5.962 8.340 1.00 0.00 H new ATOM 415 N ARG A 28 -9.960 -8.108 6.515 1.00 0.00 N ATOM 416 CA ARG A 28 -10.904 -8.439 5.451 1.00 0.00 C ATOM 417 C ARG A 28 -10.587 -9.782 4.783 1.00 0.00 C ATOM 418 O ARG A 28 -11.409 -10.324 4.039 1.00 0.00 O ATOM 419 CB ARG A 28 -10.969 -7.317 4.410 1.00 0.00 C ATOM 420 CG ARG A 28 -9.668 -7.079 3.674 1.00 0.00 C ATOM 421 CD ARG A 28 -9.750 -5.861 2.772 1.00 0.00 C ATOM 422 NE ARG A 28 -9.903 -4.635 3.543 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.118 -3.434 3.005 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.202 -3.292 1.684 1.00 0.00 N ATOM 425 NH2 ARG A 28 -10.254 -2.373 3.791 1.00 0.00 N ATOM 0 H ARG A 28 -9.183 -7.515 6.223 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.884 -8.539 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.746 -7.555 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.268 -6.393 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.861 -6.945 4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.421 -7.958 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.849 -5.798 2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.592 -5.969 2.088 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.842 -4.699 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.102 -4.105 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.367 -2.370 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.194 -2.478 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.419 -1.453 3.382 1.00 0.00 H new ATOM 439 N GLY A 29 -9.392 -10.307 5.038 1.00 0.00 N ATOM 440 CA GLY A 29 -9.010 -11.600 4.490 1.00 0.00 C ATOM 441 C GLY A 29 -8.540 -11.503 3.052 1.00 0.00 C ATOM 442 O GLY A 29 -8.989 -12.255 2.191 1.00 0.00 O ATOM 0 H GLY A 29 -8.679 -9.861 5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.216 -12.030 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.859 -12.281 4.546 1.00 0.00 H new ATOM 446 N VAL A 30 -7.626 -10.580 2.802 1.00 0.00 N ATOM 447 CA VAL A 30 -7.153 -10.299 1.457 1.00 0.00 C ATOM 448 C VAL A 30 -5.657 -10.571 1.354 1.00 0.00 C ATOM 449 O VAL A 30 -5.021 -10.406 0.312 1.00 0.00 O ATOM 450 CB VAL A 30 -7.479 -8.826 1.105 1.00 0.00 C ATOM 451 CG1 VAL A 30 -6.834 -8.380 -0.185 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.974 -8.638 1.032 1.00 0.00 C ATOM 0 H VAL A 30 -7.192 -10.005 3.524 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.656 -10.953 0.745 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.064 -8.203 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.096 -7.341 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.751 -8.472 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.188 -9.005 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.199 -7.601 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.386 -9.292 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.419 -8.885 1.996 1.00 0.00 H new ATOM 462 N ASN A 31 -5.112 -11.057 2.431 1.00 0.00 N ATOM 463 CA ASN A 31 -3.675 -11.172 2.547 1.00 0.00 C ATOM 464 C ASN A 31 -3.202 -12.576 2.194 1.00 0.00 C ATOM 465 O ASN A 31 -4.017 -13.464 1.934 1.00 0.00 O ATOM 466 CB ASN A 31 -3.249 -10.799 3.957 1.00 0.00 C ATOM 467 CG ASN A 31 -1.870 -10.173 3.994 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.124 -10.348 4.952 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.527 -9.436 2.945 1.00 0.00 N ATOM 0 H ASN A 31 -5.634 -11.382 3.245 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.212 -10.485 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.973 -10.103 4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.258 -11.690 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.611 -8.988 2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.179 -9.317 2.170 1.00 0.00 H new ATOM 476 N PHE A 32 -1.877 -12.748 2.161 1.00 0.00 N ATOM 477 CA PHE A 32 -1.239 -14.032 1.858 1.00 0.00 C ATOM 478 C PHE A 32 -1.452 -14.449 0.400 1.00 0.00 C ATOM 479 O PHE A 32 -1.131 -15.573 0.011 1.00 0.00 O ATOM 480 CB PHE A 32 -1.723 -15.126 2.817 1.00 0.00 C ATOM 481 CG PHE A 32 -1.324 -14.879 4.247 1.00 0.00 C ATOM 482 CD1 PHE A 32 -0.071 -15.253 4.705 1.00 0.00 C ATOM 483 CD2 PHE A 32 -2.201 -14.266 5.129 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.300 -15.021 6.014 1.00 0.00 C ATOM 485 CE2 PHE A 32 -1.835 -14.033 6.440 1.00 0.00 C ATOM 486 CZ PHE A 32 -0.582 -14.411 6.883 1.00 0.00 C ATOM 0 H PHE A 32 -1.213 -11.996 2.345 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.167 -13.900 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.809 -15.199 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.321 -16.087 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.623 -15.731 4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.181 -13.968 4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.280 -15.317 6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.527 -13.556 7.118 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.293 -14.229 7.908 1.00 0.00 H new ATOM 496 N SER A 33 -1.985 -13.536 -0.398 1.00 0.00 N ATOM 497 CA SER A 33 -2.137 -13.748 -1.829 1.00 0.00 C ATOM 498 C SER A 33 -1.732 -12.481 -2.571 1.00 0.00 C ATOM 499 O SER A 33 -2.426 -11.467 -2.507 1.00 0.00 O ATOM 500 CB SER A 33 -3.581 -14.124 -2.166 1.00 0.00 C ATOM 501 OG SER A 33 -3.993 -15.279 -1.452 1.00 0.00 O ATOM 0 H SER A 33 -2.323 -12.630 -0.073 1.00 0.00 H new ATOM 0 HA SER A 33 -1.492 -14.570 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.241 -13.291 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.672 -14.304 -3.237 1.00 0.00 H new ATOM 0 HG SER A 33 -4.920 -15.495 -1.686 1.00 0.00 H new ATOM 507 N LEU A 34 -0.607 -12.551 -3.269 1.00 0.00 N ATOM 508 CA LEU A 34 -0.002 -11.383 -3.905 1.00 0.00 C ATOM 509 C LEU A 34 -0.925 -10.742 -4.936 1.00 0.00 C ATOM 510 O LEU A 34 -0.941 -9.520 -5.081 1.00 0.00 O ATOM 511 CB LEU A 34 1.329 -11.772 -4.550 1.00 0.00 C ATOM 512 CG LEU A 34 2.369 -12.334 -3.576 1.00 0.00 C ATOM 513 CD1 LEU A 34 3.663 -12.665 -4.293 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.627 -11.349 -2.451 1.00 0.00 C ATOM 0 H LEU A 34 -0.087 -13.417 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 34 0.173 -10.639 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.139 -12.514 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.749 -10.895 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 34 1.971 -13.256 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.384 -13.062 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.471 -13.409 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.066 -11.762 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.368 -11.763 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.999 -10.412 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.699 -11.163 -1.910 1.00 0.00 H new ATOM 526 N ASP A 35 -1.699 -11.558 -5.640 1.00 0.00 N ATOM 527 CA ASP A 35 -2.644 -11.044 -6.630 1.00 0.00 C ATOM 528 C ASP A 35 -3.795 -10.324 -5.940 1.00 0.00 C ATOM 529 O ASP A 35 -4.294 -9.305 -6.420 1.00 0.00 O ATOM 530 CB ASP A 35 -3.189 -12.183 -7.496 1.00 0.00 C ATOM 531 CG ASP A 35 -4.268 -11.717 -8.455 1.00 0.00 C ATOM 532 OD1 ASP A 35 -3.923 -11.157 -9.516 1.00 0.00 O ATOM 533 OD2 ASP A 35 -5.466 -11.918 -8.156 1.00 0.00 O ATOM 0 H ASP A 35 -1.693 -12.574 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.116 -10.338 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.371 -12.628 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.592 -12.964 -6.852 1.00 0.00 H new ATOM 538 N THR A 36 -4.192 -10.851 -4.797 1.00 0.00 N ATOM 539 CA THR A 36 -5.286 -10.290 -4.030 1.00 0.00 C ATOM 540 C THR A 36 -4.850 -9.007 -3.341 1.00 0.00 C ATOM 541 O THR A 36 -5.597 -8.024 -3.298 1.00 0.00 O ATOM 542 CB THR A 36 -5.781 -11.319 -2.995 1.00 0.00 C ATOM 543 OG1 THR A 36 -5.995 -12.576 -3.647 1.00 0.00 O ATOM 544 CG2 THR A 36 -7.069 -10.875 -2.324 1.00 0.00 C ATOM 0 H THR A 36 -3.766 -11.677 -4.376 1.00 0.00 H new ATOM 0 HA THR A 36 -6.106 -10.050 -4.707 1.00 0.00 H new ATOM 0 HB THR A 36 -5.018 -11.412 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.308 -13.235 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.382 -11.629 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.904 -9.928 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.847 -10.749 -3.077 1.00 0.00 H new ATOM 552 N ILE A 37 -3.627 -9.013 -2.831 1.00 0.00 N ATOM 553 CA ILE A 37 -3.035 -7.821 -2.263 1.00 0.00 C ATOM 554 C ILE A 37 -2.929 -6.750 -3.337 1.00 0.00 C ATOM 555 O ILE A 37 -3.097 -5.567 -3.067 1.00 0.00 O ATOM 556 CB ILE A 37 -1.637 -8.116 -1.679 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.739 -9.199 -0.605 1.00 0.00 C ATOM 558 CG2 ILE A 37 -1.010 -6.854 -1.103 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.399 -9.719 -0.146 1.00 0.00 C ATOM 0 H ILE A 37 -3.026 -9.837 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.673 -7.471 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.995 -8.473 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.278 -8.799 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.329 -10.030 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.026 -7.089 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.910 -6.106 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.645 -6.462 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.547 -10.484 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.134 -10.150 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.186 -8.899 0.272 1.00 0.00 H new ATOM 571 N GLU A 38 -2.678 -7.188 -4.568 1.00 0.00 N ATOM 572 CA GLU A 38 -2.578 -6.276 -5.693 1.00 0.00 C ATOM 573 C GLU A 38 -3.905 -5.576 -5.944 1.00 0.00 C ATOM 574 O GLU A 38 -3.963 -4.352 -6.043 1.00 0.00 O ATOM 575 CB GLU A 38 -2.134 -7.012 -6.960 1.00 0.00 C ATOM 576 CG GLU A 38 -1.867 -6.083 -8.137 1.00 0.00 C ATOM 577 CD GLU A 38 -1.616 -6.829 -9.429 1.00 0.00 C ATOM 578 OE1 GLU A 38 -0.559 -7.481 -9.547 1.00 0.00 O ATOM 579 OE2 GLU A 38 -2.473 -6.760 -10.338 1.00 0.00 O ATOM 0 H GLU A 38 -2.541 -8.170 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.827 -5.527 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.230 -7.580 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.903 -7.731 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.719 -5.416 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.004 -5.457 -7.911 1.00 0.00 H new ATOM 586 N LYS A 39 -4.973 -6.355 -6.027 1.00 0.00 N ATOM 587 CA LYS A 39 -6.285 -5.810 -6.345 1.00 0.00 C ATOM 588 C LYS A 39 -6.755 -4.821 -5.288 1.00 0.00 C ATOM 589 O LYS A 39 -7.297 -3.764 -5.615 1.00 0.00 O ATOM 590 CB LYS A 39 -7.315 -6.927 -6.510 1.00 0.00 C ATOM 591 CG LYS A 39 -6.976 -7.918 -7.612 1.00 0.00 C ATOM 592 CD LYS A 39 -6.556 -7.225 -8.902 1.00 0.00 C ATOM 593 CE LYS A 39 -7.563 -6.175 -9.346 1.00 0.00 C ATOM 594 NZ LYS A 39 -7.245 -5.648 -10.697 1.00 0.00 N ATOM 0 H LYS A 39 -4.958 -7.364 -5.879 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.189 -5.275 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.408 -7.465 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.288 -6.483 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.172 -8.572 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.841 -8.551 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.583 -6.755 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.438 -7.969 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.563 -6.608 -9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.574 -5.355 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.952 -4.935 -10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.301 -5.212 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.259 -6.427 -11.386 1.00 0.00 H new ATOM 608 N GLU A 40 -6.540 -5.152 -4.023 1.00 0.00 N ATOM 609 CA GLU A 40 -6.957 -4.272 -2.944 1.00 0.00 C ATOM 610 C GLU A 40 -5.961 -3.147 -2.727 1.00 0.00 C ATOM 611 O GLU A 40 -6.285 -2.154 -2.089 1.00 0.00 O ATOM 612 CB GLU A 40 -7.175 -5.049 -1.650 1.00 0.00 C ATOM 613 CG GLU A 40 -8.457 -5.863 -1.651 1.00 0.00 C ATOM 614 CD GLU A 40 -9.686 -5.022 -1.917 1.00 0.00 C ATOM 615 OE1 GLU A 40 -10.182 -4.368 -0.975 1.00 0.00 O ATOM 616 OE2 GLU A 40 -10.167 -5.022 -3.071 1.00 0.00 O ATOM 0 H GLU A 40 -6.085 -6.014 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.907 -3.828 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.329 -5.716 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.196 -4.351 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.386 -6.643 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.566 -6.362 -0.688 1.00 0.00 H new ATOM 623 N LEU A 41 -4.756 -3.295 -3.253 1.00 0.00 N ATOM 624 CA LEU A 41 -3.799 -2.203 -3.234 1.00 0.00 C ATOM 625 C LEU A 41 -4.292 -1.110 -4.170 1.00 0.00 C ATOM 626 O LEU A 41 -4.241 0.073 -3.844 1.00 0.00 O ATOM 627 CB LEU A 41 -2.404 -2.691 -3.642 1.00 0.00 C ATOM 628 CG LEU A 41 -1.273 -1.673 -3.470 1.00 0.00 C ATOM 629 CD1 LEU A 41 -1.245 -1.129 -2.048 1.00 0.00 C ATOM 630 CD2 LEU A 41 0.063 -2.310 -3.817 1.00 0.00 C ATOM 0 H LEU A 41 -4.420 -4.151 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.716 -1.805 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.163 -3.578 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.437 -2.998 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.455 -0.841 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.433 -0.408 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.194 -0.640 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.088 -1.949 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.859 -1.577 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.244 -3.159 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.045 -2.652 -4.852 1.00 0.00 H new ATOM 642 N ILE A 42 -4.810 -1.531 -5.321 1.00 0.00 N ATOM 643 CA ILE A 42 -5.457 -0.621 -6.260 1.00 0.00 C ATOM 644 C ILE A 42 -6.743 -0.055 -5.656 1.00 0.00 C ATOM 645 O ILE A 42 -7.041 1.134 -5.788 1.00 0.00 O ATOM 646 CB ILE A 42 -5.763 -1.321 -7.609 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.536 -1.286 -8.529 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.957 -0.686 -8.313 1.00 0.00 C ATOM 649 CD1 ILE A 42 -3.341 -2.060 -8.016 1.00 0.00 C ATOM 0 H ILE A 42 -4.793 -2.504 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.766 0.199 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.012 -2.358 -7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.818 -1.683 -9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.242 -0.248 -8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.141 -1.203 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.839 -0.765 -7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.746 0.365 -8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.521 -1.979 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.027 -1.650 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.612 -3.108 -7.892 1.00 0.00 H new ATOM 661 N SER A 43 -7.494 -0.915 -4.986 1.00 0.00 N ATOM 662 CA SER A 43 -8.735 -0.505 -4.346 1.00 0.00 C ATOM 663 C SER A 43 -8.471 0.511 -3.229 1.00 0.00 C ATOM 664 O SER A 43 -8.993 1.629 -3.263 1.00 0.00 O ATOM 665 CB SER A 43 -9.462 -1.732 -3.787 1.00 0.00 C ATOM 666 OG SER A 43 -10.723 -1.384 -3.244 1.00 0.00 O ATOM 0 H SER A 43 -7.266 -1.902 -4.871 1.00 0.00 H new ATOM 0 HA SER A 43 -9.365 -0.024 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.596 -2.469 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.849 -2.200 -3.017 1.00 0.00 H new ATOM 0 HG SER A 43 -11.163 -2.188 -2.897 1.00 0.00 H new ATOM 672 N PHE A 44 -7.624 0.130 -2.273 1.00 0.00 N ATOM 673 CA PHE A 44 -7.312 0.967 -1.114 1.00 0.00 C ATOM 674 C PHE A 44 -6.644 2.258 -1.569 1.00 0.00 C ATOM 675 O PHE A 44 -6.757 3.301 -0.918 1.00 0.00 O ATOM 676 CB PHE A 44 -6.391 0.207 -0.152 1.00 0.00 C ATOM 677 CG PHE A 44 -6.334 0.777 1.239 1.00 0.00 C ATOM 678 CD1 PHE A 44 -5.478 1.822 1.548 1.00 0.00 C ATOM 679 CD2 PHE A 44 -7.134 0.254 2.240 1.00 0.00 C ATOM 680 CE1 PHE A 44 -5.425 2.335 2.830 1.00 0.00 C ATOM 681 CE2 PHE A 44 -7.087 0.761 3.521 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.231 1.804 3.817 1.00 0.00 C ATOM 0 H PHE A 44 -7.136 -0.765 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.238 1.214 -0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.724 -0.829 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.383 0.195 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.846 2.240 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.804 -0.562 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.754 3.150 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.718 0.344 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.192 2.204 4.820 1.00 0.00 H new ATOM 692 N CYS A 45 -5.953 2.161 -2.693 1.00 0.00 N ATOM 693 CA CYS A 45 -5.342 3.305 -3.348 1.00 0.00 C ATOM 694 C CYS A 45 -6.346 4.443 -3.488 1.00 0.00 C ATOM 695 O CYS A 45 -6.072 5.575 -3.095 1.00 0.00 O ATOM 696 CB CYS A 45 -4.841 2.874 -4.725 1.00 0.00 C ATOM 697 SG CYS A 45 -4.032 4.174 -5.694 1.00 0.00 S ATOM 0 H CYS A 45 -5.799 1.278 -3.180 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.508 3.664 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.140 2.049 -4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.685 2.489 -5.297 1.00 0.00 H new ATOM 702 N LEU A 46 -7.508 4.135 -4.055 1.00 0.00 N ATOM 703 CA LEU A 46 -8.556 5.129 -4.240 1.00 0.00 C ATOM 704 C LEU A 46 -9.493 5.197 -3.033 1.00 0.00 C ATOM 705 O LEU A 46 -10.225 6.171 -2.861 1.00 0.00 O ATOM 706 CB LEU A 46 -9.343 4.831 -5.508 1.00 0.00 C ATOM 707 CG LEU A 46 -8.558 4.990 -6.812 1.00 0.00 C ATOM 708 CD1 LEU A 46 -9.452 4.711 -8.007 1.00 0.00 C ATOM 709 CD2 LEU A 46 -7.953 6.384 -6.909 1.00 0.00 C ATOM 0 H LEU A 46 -7.747 3.203 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.077 6.103 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.720 3.810 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.211 5.490 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.744 4.265 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.878 4.829 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.834 3.692 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.287 5.412 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.399 6.476 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.749 7.129 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.277 6.547 -6.069 1.00 0.00 H new ATOM 721 N ASP A 47 -9.474 4.149 -2.212 1.00 0.00 N ATOM 722 CA ASP A 47 -10.353 4.053 -1.041 1.00 0.00 C ATOM 723 C ASP A 47 -10.044 5.149 -0.030 1.00 0.00 C ATOM 724 O ASP A 47 -10.921 5.600 0.712 1.00 0.00 O ATOM 725 CB ASP A 47 -10.208 2.680 -0.377 1.00 0.00 C ATOM 726 CG ASP A 47 -11.102 2.516 0.838 1.00 0.00 C ATOM 727 OD1 ASP A 47 -12.307 2.245 0.660 1.00 0.00 O ATOM 728 OD2 ASP A 47 -10.602 2.638 1.974 1.00 0.00 O ATOM 0 H ASP A 47 -8.856 3.347 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.380 4.180 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.445 1.903 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.169 2.533 -0.081 1.00 0.00 H new ATOM 733 N THR A 48 -8.797 5.576 -0.011 1.00 0.00 N ATOM 734 CA THR A 48 -8.368 6.654 0.852 1.00 0.00 C ATOM 735 C THR A 48 -8.877 7.998 0.340 1.00 0.00 C ATOM 736 O THR A 48 -9.707 8.054 -0.567 1.00 0.00 O ATOM 737 CB THR A 48 -6.837 6.677 0.940 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.276 6.144 -0.268 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.351 5.870 2.132 1.00 0.00 C ATOM 0 H THR A 48 -8.056 5.185 -0.593 1.00 0.00 H new ATOM 0 HA THR A 48 -8.785 6.483 1.844 1.00 0.00 H new ATOM 0 HB THR A 48 -6.514 7.710 1.069 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.298 6.161 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.262 5.901 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.761 6.293 3.049 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.681 4.836 2.030 1.00 0.00 H new ATOM 747 N LYS A 49 -8.381 9.073 0.916 1.00 0.00 N ATOM 748 CA LYS A 49 -8.765 10.403 0.481 1.00 0.00 C ATOM 749 C LYS A 49 -7.695 10.994 -0.418 1.00 0.00 C ATOM 750 O LYS A 49 -6.625 10.405 -0.569 1.00 0.00 O ATOM 751 CB LYS A 49 -9.035 11.308 1.678 1.00 0.00 C ATOM 752 CG LYS A 49 -8.102 11.080 2.847 1.00 0.00 C ATOM 753 CD LYS A 49 -8.529 11.901 4.051 1.00 0.00 C ATOM 754 CE LYS A 49 -7.538 11.780 5.192 1.00 0.00 C ATOM 755 NZ LYS A 49 -6.185 12.244 4.798 1.00 0.00 N ATOM 0 H LYS A 49 -7.712 9.054 1.686 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.689 10.326 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.954 12.347 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.062 11.156 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.093 10.022 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.084 11.347 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.625 12.948 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.512 11.571 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.889 12.365 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.485 10.742 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.611 12.404 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.730 11.522 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.265 13.132 4.263 1.00 0.00 H new ATOM 769 N GLY A 50 -7.991 12.159 -0.993 1.00 0.00 N ATOM 770 CA GLY A 50 -7.160 12.741 -2.037 1.00 0.00 C ATOM 771 C GLY A 50 -5.673 12.709 -1.746 1.00 0.00 C ATOM 772 O GLY A 50 -4.878 12.414 -2.641 1.00 0.00 O ATOM 0 H GLY A 50 -8.807 12.719 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.346 12.210 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.465 13.776 -2.192 1.00 0.00 H new ATOM 776 N LYS A 51 -5.297 13.002 -0.506 1.00 0.00 N ATOM 777 CA LYS A 51 -3.893 13.013 -0.121 1.00 0.00 C ATOM 778 C LYS A 51 -3.249 11.649 -0.347 1.00 0.00 C ATOM 779 O LYS A 51 -2.230 11.539 -1.030 1.00 0.00 O ATOM 780 CB LYS A 51 -3.733 13.421 1.343 1.00 0.00 C ATOM 781 CG LYS A 51 -2.747 14.561 1.550 1.00 0.00 C ATOM 782 CD LYS A 51 -3.189 15.812 0.807 1.00 0.00 C ATOM 783 CE LYS A 51 -2.286 17.000 1.101 1.00 0.00 C ATOM 784 NZ LYS A 51 -0.903 16.804 0.589 1.00 0.00 N ATOM 0 H LYS A 51 -5.944 13.234 0.247 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.388 13.746 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.705 13.715 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.403 12.556 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.658 14.779 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.759 14.258 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.191 15.615 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.213 16.057 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.713 17.897 0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.251 17.168 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.515 17.718 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.305 16.413 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.921 16.144 -0.215 1.00 0.00 H new ATOM 798 N GLU A 52 -3.854 10.610 0.213 1.00 0.00 N ATOM 799 CA GLU A 52 -3.309 9.267 0.096 1.00 0.00 C ATOM 800 C GLU A 52 -3.562 8.681 -1.288 1.00 0.00 C ATOM 801 O GLU A 52 -2.794 7.838 -1.753 1.00 0.00 O ATOM 802 CB GLU A 52 -3.880 8.346 1.169 1.00 0.00 C ATOM 803 CG GLU A 52 -3.587 8.805 2.586 1.00 0.00 C ATOM 804 CD GLU A 52 -4.774 9.475 3.240 1.00 0.00 C ATOM 805 OE1 GLU A 52 -5.026 10.664 2.964 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.463 8.806 4.040 1.00 0.00 O ATOM 0 H GLU A 52 -4.719 10.672 0.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.232 9.343 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.959 8.273 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.473 7.344 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.283 7.947 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.746 9.498 2.572 1.00 0.00 H new ATOM 813 N ASN A 53 -4.633 9.120 -1.952 1.00 0.00 N ATOM 814 CA ASN A 53 -4.872 8.705 -3.333 1.00 0.00 C ATOM 815 C ASN A 53 -3.710 9.184 -4.190 1.00 0.00 C ATOM 816 O ASN A 53 -3.223 8.465 -5.060 1.00 0.00 O ATOM 817 CB ASN A 53 -6.183 9.270 -3.910 1.00 0.00 C ATOM 818 CG ASN A 53 -7.430 8.934 -3.114 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.393 9.701 -3.109 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.443 7.791 -2.457 1.00 0.00 N ATOM 0 H ASN A 53 -5.335 9.750 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.957 7.618 -3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.095 10.354 -3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.307 8.895 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.269 7.519 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.628 7.179 -2.482 1.00 0.00 H new ATOM 827 N ARG A 54 -3.256 10.404 -3.911 1.00 0.00 N ATOM 828 CA ARG A 54 -2.112 10.978 -4.604 1.00 0.00 C ATOM 829 C ARG A 54 -0.833 10.258 -4.194 1.00 0.00 C ATOM 830 O ARG A 54 0.013 9.942 -5.031 1.00 0.00 O ATOM 831 CB ARG A 54 -1.981 12.471 -4.287 1.00 0.00 C ATOM 832 CG ARG A 54 -0.866 13.148 -5.062 1.00 0.00 C ATOM 833 CD ARG A 54 -1.180 13.165 -6.544 1.00 0.00 C ATOM 834 NE ARG A 54 0.018 13.231 -7.372 1.00 0.00 N ATOM 835 CZ ARG A 54 0.051 12.829 -8.639 1.00 0.00 C ATOM 836 NH1 ARG A 54 -1.060 12.378 -9.218 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.183 12.892 -9.326 1.00 0.00 N ATOM 0 H ARG A 54 -3.668 11.015 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.268 10.857 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.925 12.968 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.801 12.595 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.733 14.168 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.074 12.624 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.746 12.270 -6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.818 14.020 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 54 0.873 13.604 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.932 12.342 -8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.039 12.069 -10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.029 13.249 -8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.208 12.583 -10.298 1.00 0.00 H new ATOM 851 N LEU A 55 -0.709 10.007 -2.896 1.00 0.00 N ATOM 852 CA LEU A 55 0.443 9.306 -2.338 1.00 0.00 C ATOM 853 C LEU A 55 0.633 7.952 -3.008 1.00 0.00 C ATOM 854 O LEU A 55 1.756 7.497 -3.225 1.00 0.00 O ATOM 855 CB LEU A 55 0.246 9.100 -0.837 1.00 0.00 C ATOM 856 CG LEU A 55 1.405 8.420 -0.118 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.565 9.386 0.047 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.949 7.879 1.224 1.00 0.00 C ATOM 0 H LEU A 55 -1.403 10.283 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 55 1.330 9.914 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.071 10.071 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.655 8.506 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 55 1.749 7.580 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.385 8.885 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.903 9.720 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.241 10.247 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.788 7.396 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.581 8.699 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.151 7.153 1.071 1.00 0.00 H new ATOM 870 N CYS A 56 -0.481 7.322 -3.336 1.00 0.00 N ATOM 871 CA CYS A 56 -0.482 6.007 -3.948 1.00 0.00 C ATOM 872 C CYS A 56 0.196 6.010 -5.316 1.00 0.00 C ATOM 873 O CYS A 56 0.757 4.997 -5.735 1.00 0.00 O ATOM 874 CB CYS A 56 -1.918 5.504 -4.062 1.00 0.00 C ATOM 875 SG CYS A 56 -2.111 4.029 -5.092 1.00 0.00 S ATOM 0 H CYS A 56 -1.412 7.710 -3.185 1.00 0.00 H new ATOM 0 HA CYS A 56 0.094 5.335 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.295 5.287 -3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.539 6.302 -4.470 1.00 0.00 H new ATOM 880 N TYR A 57 0.165 7.144 -6.006 1.00 0.00 N ATOM 881 CA TYR A 57 0.874 7.268 -7.275 1.00 0.00 C ATOM 882 C TYR A 57 2.370 7.126 -7.049 1.00 0.00 C ATOM 883 O TYR A 57 3.094 6.596 -7.892 1.00 0.00 O ATOM 884 CB TYR A 57 0.580 8.612 -7.945 1.00 0.00 C ATOM 885 CG TYR A 57 -0.784 8.689 -8.587 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.907 9.015 -7.842 1.00 0.00 C ATOM 887 CD2 TYR A 57 -0.943 8.443 -9.944 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.152 9.092 -8.429 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.185 8.520 -10.540 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.287 8.846 -9.778 1.00 0.00 C ATOM 891 OH TYR A 57 -4.527 8.925 -10.368 1.00 0.00 O ATOM 0 H TYR A 57 -0.337 7.982 -5.713 1.00 0.00 H new ATOM 0 HA TYR A 57 0.526 6.473 -7.935 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.666 9.404 -7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.339 8.803 -8.703 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.805 9.212 -6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.081 8.187 -10.542 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.018 9.344 -7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.293 8.326 -11.597 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.448 8.724 -11.324 1.00 0.00 H new ATOM 901 N TYR A 58 2.820 7.570 -5.885 1.00 0.00 N ATOM 902 CA TYR A 58 4.231 7.527 -5.546 1.00 0.00 C ATOM 903 C TYR A 58 4.604 6.154 -5.005 1.00 0.00 C ATOM 904 O TYR A 58 5.764 5.747 -5.055 1.00 0.00 O ATOM 905 CB TYR A 58 4.568 8.620 -4.529 1.00 0.00 C ATOM 906 CG TYR A 58 4.014 9.979 -4.902 1.00 0.00 C ATOM 907 CD1 TYR A 58 4.235 10.519 -6.163 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.254 10.711 -4.000 1.00 0.00 C ATOM 909 CE1 TYR A 58 3.715 11.750 -6.513 1.00 0.00 C ATOM 910 CE2 TYR A 58 2.729 11.942 -4.343 1.00 0.00 C ATOM 911 CZ TYR A 58 2.963 12.457 -5.600 1.00 0.00 C ATOM 912 OH TYR A 58 2.437 13.681 -5.949 1.00 0.00 O ATOM 0 H TYR A 58 2.224 7.965 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 58 4.813 7.709 -6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.177 8.332 -3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.651 8.692 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.823 9.967 -6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.070 10.311 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.897 12.156 -7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.138 12.498 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 58 3.077 14.388 -5.724 1.00 0.00 H new ATOM 922 N LEU A 59 3.609 5.442 -4.491 1.00 0.00 N ATOM 923 CA LEU A 59 3.806 4.072 -4.034 1.00 0.00 C ATOM 924 C LEU A 59 3.596 3.099 -5.194 1.00 0.00 C ATOM 925 O LEU A 59 3.840 1.902 -5.072 1.00 0.00 O ATOM 926 CB LEU A 59 2.860 3.749 -2.872 1.00 0.00 C ATOM 927 CG LEU A 59 3.086 4.575 -1.599 1.00 0.00 C ATOM 928 CD1 LEU A 59 2.048 4.235 -0.544 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.484 4.342 -1.048 1.00 0.00 C ATOM 0 H LEU A 59 2.657 5.791 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 59 4.829 3.966 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.834 3.900 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.962 2.693 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 59 2.984 5.628 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.228 4.833 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.052 4.451 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.118 3.177 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.623 4.937 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.610 3.286 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.223 4.636 -1.794 1.00 0.00 H new ATOM 941 N GLY A 60 3.130 3.645 -6.316 1.00 0.00 N ATOM 942 CA GLY A 60 3.046 2.894 -7.556 1.00 0.00 C ATOM 943 C GLY A 60 1.944 1.855 -7.566 1.00 0.00 C ATOM 944 O GLY A 60 2.149 0.739 -8.038 1.00 0.00 O ATOM 0 H GLY A 60 2.805 4.609 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.886 3.588 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.001 2.400 -7.736 1.00 0.00 H new ATOM 948 N ALA A 61 0.767 2.219 -7.076 1.00 0.00 N ATOM 949 CA ALA A 61 -0.337 1.272 -7.017 1.00 0.00 C ATOM 950 C ALA A 61 -1.606 1.826 -7.658 1.00 0.00 C ATOM 951 O ALA A 61 -2.709 1.380 -7.349 1.00 0.00 O ATOM 952 CB ALA A 61 -0.608 0.874 -5.577 1.00 0.00 C ATOM 0 H ALA A 61 0.554 3.150 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.042 0.392 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.436 0.165 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.283 0.410 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.866 1.760 -4.997 1.00 0.00 H new ATOM 958 N THR A 62 -1.456 2.792 -8.552 1.00 0.00 N ATOM 959 CA THR A 62 -2.614 3.376 -9.210 1.00 0.00 C ATOM 960 C THR A 62 -2.627 3.040 -10.701 1.00 0.00 C ATOM 961 O THR A 62 -2.685 1.868 -11.088 1.00 0.00 O ATOM 962 CB THR A 62 -2.651 4.907 -9.030 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.021 5.266 -7.796 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.086 5.418 -9.033 1.00 0.00 C ATOM 0 H THR A 62 -0.558 3.183 -8.835 1.00 0.00 H new ATOM 0 HA THR A 62 -3.498 2.946 -8.740 1.00 0.00 H new ATOM 0 HB THR A 62 -2.116 5.363 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.431 4.764 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.087 6.500 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.560 5.165 -9.981 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.639 4.955 -8.215 1.00 0.00 H new ATOM 972 N LYS A 63 -2.549 4.066 -11.532 1.00 0.00 N ATOM 973 CA LYS A 63 -2.574 3.895 -12.970 1.00 0.00 C ATOM 974 C LYS A 63 -1.404 4.635 -13.592 1.00 0.00 C ATOM 975 O LYS A 63 -1.025 5.706 -13.117 1.00 0.00 O ATOM 976 CB LYS A 63 -3.891 4.416 -13.545 1.00 0.00 C ATOM 977 CG LYS A 63 -5.109 3.604 -13.130 1.00 0.00 C ATOM 978 CD LYS A 63 -6.400 4.256 -13.608 1.00 0.00 C ATOM 979 CE LYS A 63 -6.373 4.523 -15.104 1.00 0.00 C ATOM 980 NZ LYS A 63 -7.631 5.151 -15.583 1.00 0.00 N ATOM 0 H LYS A 63 -2.467 5.036 -11.228 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.492 2.833 -13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.031 5.450 -13.229 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.824 4.422 -14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.034 2.597 -13.541 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.130 3.505 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.245 3.610 -13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.554 5.193 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.531 5.173 -15.340 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.211 3.586 -15.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.569 5.315 -16.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.433 4.520 -15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.774 6.058 -15.095 1.00 0.00 H new ATOM 994 N ASP A 64 -0.826 4.039 -14.631 1.00 0.00 N ATOM 995 CA ASP A 64 0.328 4.611 -15.323 1.00 0.00 C ATOM 996 C ASP A 64 1.498 4.748 -14.353 1.00 0.00 C ATOM 997 O ASP A 64 2.327 5.652 -14.462 1.00 0.00 O ATOM 998 CB ASP A 64 -0.024 5.965 -15.954 1.00 0.00 C ATOM 999 CG ASP A 64 0.905 6.335 -17.092 1.00 0.00 C ATOM 1000 OD1 ASP A 64 0.713 5.811 -18.212 1.00 0.00 O ATOM 1001 OD2 ASP A 64 1.831 7.143 -16.886 1.00 0.00 O ATOM 0 H ASP A 64 -1.142 3.149 -15.017 1.00 0.00 H new ATOM 0 HA ASP A 64 0.619 3.939 -16.130 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.050 5.935 -16.322 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.017 6.740 -15.189 1.00 0.00 H new ATOM 1006 N ALA A 65 1.551 3.833 -13.396 1.00 0.00 N ATOM 1007 CA ALA A 65 2.581 3.851 -12.376 1.00 0.00 C ATOM 1008 C ALA A 65 3.629 2.781 -12.653 1.00 0.00 C ATOM 1009 O ALA A 65 3.545 2.060 -13.653 1.00 0.00 O ATOM 1010 CB ALA A 65 1.961 3.651 -11.001 1.00 0.00 C ATOM 0 H ALA A 65 0.886 3.065 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 65 3.075 4.823 -12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.744 3.666 -10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.249 4.452 -10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.445 2.691 -10.971 1.00 0.00 H new ATOM 1016 N ALA A 66 4.610 2.682 -11.766 1.00 0.00 N ATOM 1017 CA ALA A 66 5.673 1.699 -11.903 1.00 0.00 C ATOM 1018 C ALA A 66 5.142 0.284 -11.679 1.00 0.00 C ATOM 1019 O ALA A 66 4.622 -0.035 -10.611 1.00 0.00 O ATOM 1020 CB ALA A 66 6.793 2.010 -10.923 1.00 0.00 C ATOM 0 H ALA A 66 4.690 3.275 -10.940 1.00 0.00 H new ATOM 0 HA ALA A 66 6.065 1.751 -12.919 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.586 1.270 -11.030 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.192 3.003 -11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.404 1.980 -9.905 1.00 0.00 H new ATOM 1026 N THR A 67 5.275 -0.559 -12.694 1.00 0.00 N ATOM 1027 CA THR A 67 4.779 -1.929 -12.629 1.00 0.00 C ATOM 1028 C THR A 67 5.606 -2.783 -11.671 1.00 0.00 C ATOM 1029 O THR A 67 5.104 -3.742 -11.081 1.00 0.00 O ATOM 1030 CB THR A 67 4.791 -2.576 -14.026 1.00 0.00 C ATOM 1031 OG1 THR A 67 6.034 -2.291 -14.680 1.00 0.00 O ATOM 1032 CG2 THR A 67 3.638 -2.067 -14.876 1.00 0.00 C ATOM 0 H THR A 67 5.725 -0.317 -13.577 1.00 0.00 H new ATOM 0 HA THR A 67 3.756 -1.883 -12.256 1.00 0.00 H new ATOM 0 HB THR A 67 4.677 -3.653 -13.904 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.039 -2.706 -15.568 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.672 -2.541 -15.857 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.693 -2.308 -14.389 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.721 -0.986 -14.992 1.00 0.00 H new ATOM 1040 N LYS A 68 6.874 -2.423 -11.514 1.00 0.00 N ATOM 1041 CA LYS A 68 7.787 -3.174 -10.666 1.00 0.00 C ATOM 1042 C LYS A 68 7.459 -2.970 -9.187 1.00 0.00 C ATOM 1043 O LYS A 68 7.386 -3.932 -8.422 1.00 0.00 O ATOM 1044 CB LYS A 68 9.234 -2.757 -10.967 1.00 0.00 C ATOM 1045 CG LYS A 68 10.283 -3.389 -10.061 1.00 0.00 C ATOM 1046 CD LYS A 68 10.176 -4.905 -10.042 1.00 0.00 C ATOM 1047 CE LYS A 68 11.338 -5.535 -9.293 1.00 0.00 C ATOM 1048 NZ LYS A 68 11.068 -6.954 -8.949 1.00 0.00 N ATOM 0 H LYS A 68 7.294 -1.611 -11.966 1.00 0.00 H new ATOM 0 HA LYS A 68 7.672 -4.236 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.464 -3.015 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.309 -1.673 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.278 -3.099 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.167 -3.004 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.237 -5.199 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.153 -5.282 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.239 -5.474 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.531 -4.970 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.906 -7.530 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.850 -7.030 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.258 -7.298 -9.504 1.00 0.00 H new ATOM 1062 N ILE A 69 7.232 -1.721 -8.799 1.00 0.00 N ATOM 1063 CA ILE A 69 7.012 -1.389 -7.396 1.00 0.00 C ATOM 1064 C ILE A 69 5.711 -2.003 -6.873 1.00 0.00 C ATOM 1065 O ILE A 69 5.607 -2.328 -5.693 1.00 0.00 O ATOM 1066 CB ILE A 69 7.007 0.142 -7.167 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.046 0.465 -5.672 1.00 0.00 C ATOM 1068 CG2 ILE A 69 5.788 0.781 -7.813 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.120 1.946 -5.376 1.00 0.00 C ATOM 0 H ILE A 69 7.195 -0.923 -9.434 1.00 0.00 H new ATOM 0 HA ILE A 69 7.844 -1.816 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 69 7.901 0.555 -7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.157 0.051 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.907 -0.030 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.806 1.857 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.801 0.587 -8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.882 0.358 -7.378 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.144 2.101 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.023 2.362 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.246 2.445 -5.794 1.00 0.00 H new ATOM 1081 N LEU A 70 4.736 -2.192 -7.763 1.00 0.00 N ATOM 1082 CA LEU A 70 3.460 -2.794 -7.384 1.00 0.00 C ATOM 1083 C LEU A 70 3.684 -4.171 -6.764 1.00 0.00 C ATOM 1084 O LEU A 70 3.114 -4.507 -5.722 1.00 0.00 O ATOM 1085 CB LEU A 70 2.542 -2.914 -8.603 1.00 0.00 C ATOM 1086 CG LEU A 70 1.130 -3.416 -8.301 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.406 -2.455 -7.374 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.348 -3.602 -9.588 1.00 0.00 C ATOM 0 H LEU A 70 4.806 -1.937 -8.748 1.00 0.00 H new ATOM 0 HA LEU A 70 2.983 -2.149 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.470 -1.938 -9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.005 -3.589 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 70 1.209 -4.381 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.597 -2.831 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.957 -2.368 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.338 -1.475 -7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.655 -3.960 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.281 -2.650 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.856 -4.330 -10.220 1.00 0.00 H new ATOM 1100 N SER A 71 4.532 -4.962 -7.404 1.00 0.00 N ATOM 1101 CA SER A 71 4.878 -6.272 -6.889 1.00 0.00 C ATOM 1102 C SER A 71 5.768 -6.137 -5.659 1.00 0.00 C ATOM 1103 O SER A 71 5.620 -6.877 -4.687 1.00 0.00 O ATOM 1104 CB SER A 71 5.576 -7.092 -7.975 1.00 0.00 C ATOM 1105 OG SER A 71 4.800 -7.116 -9.163 1.00 0.00 O ATOM 0 H SER A 71 4.992 -4.717 -8.281 1.00 0.00 H new ATOM 0 HA SER A 71 3.966 -6.791 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.557 -6.666 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.739 -8.110 -7.621 1.00 0.00 H new ATOM 0 HG SER A 71 5.264 -7.644 -9.846 1.00 0.00 H new ATOM 1111 N GLU A 72 6.661 -5.155 -5.687 1.00 0.00 N ATOM 1112 CA GLU A 72 7.600 -4.941 -4.594 1.00 0.00 C ATOM 1113 C GLU A 72 6.890 -4.557 -3.298 1.00 0.00 C ATOM 1114 O GLU A 72 7.446 -4.723 -2.219 1.00 0.00 O ATOM 1115 CB GLU A 72 8.625 -3.872 -4.967 1.00 0.00 C ATOM 1116 CG GLU A 72 9.567 -4.310 -6.074 1.00 0.00 C ATOM 1117 CD GLU A 72 10.240 -5.631 -5.765 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.002 -5.698 -4.777 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.005 -6.610 -6.505 1.00 0.00 O ATOM 0 H GLU A 72 6.754 -4.493 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 72 8.115 -5.886 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.101 -2.969 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.208 -3.612 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.012 -4.397 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.327 -3.544 -6.226 1.00 0.00 H new ATOM 1126 N VAL A 73 5.680 -4.023 -3.411 1.00 0.00 N ATOM 1127 CA VAL A 73 4.863 -3.732 -2.237 1.00 0.00 C ATOM 1128 C VAL A 73 4.057 -4.963 -1.815 1.00 0.00 C ATOM 1129 O VAL A 73 4.051 -5.349 -0.640 1.00 0.00 O ATOM 1130 CB VAL A 73 3.900 -2.548 -2.490 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.034 -2.280 -1.267 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.677 -1.297 -2.872 1.00 0.00 C ATOM 0 H VAL A 73 5.243 -3.783 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 73 5.547 -3.456 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 73 3.246 -2.818 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.366 -1.443 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.444 -3.167 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.671 -2.037 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.982 -0.476 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.358 -1.031 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.249 -1.487 -3.781 1.00 0.00 H new ATOM 1142 N THR A 74 3.406 -5.595 -2.786 1.00 0.00 N ATOM 1143 CA THR A 74 2.495 -6.703 -2.513 1.00 0.00 C ATOM 1144 C THR A 74 3.174 -7.862 -1.783 1.00 0.00 C ATOM 1145 O THR A 74 2.550 -8.521 -0.952 1.00 0.00 O ATOM 1146 CB THR A 74 1.829 -7.217 -3.807 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.801 -7.345 -4.848 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.728 -6.271 -4.259 1.00 0.00 C ATOM 0 H THR A 74 3.493 -5.358 -3.774 1.00 0.00 H new ATOM 0 HA THR A 74 1.727 -6.302 -1.852 1.00 0.00 H new ATOM 0 HB THR A 74 1.393 -8.193 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.700 -7.259 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.272 -6.653 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.030 -6.196 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.151 -5.285 -4.449 1.00 0.00 H new ATOM 1156 N ARG A 75 4.448 -8.096 -2.070 1.00 0.00 N ATOM 1157 CA ARG A 75 5.174 -9.202 -1.447 1.00 0.00 C ATOM 1158 C ARG A 75 5.380 -8.993 0.060 1.00 0.00 C ATOM 1159 O ARG A 75 4.999 -9.856 0.850 1.00 0.00 O ATOM 1160 CB ARG A 75 6.503 -9.447 -2.162 1.00 0.00 C ATOM 1161 CG ARG A 75 6.325 -10.110 -3.515 1.00 0.00 C ATOM 1162 CD ARG A 75 7.111 -9.399 -4.597 1.00 0.00 C ATOM 1163 NE ARG A 75 6.856 -9.981 -5.912 1.00 0.00 N ATOM 1164 CZ ARG A 75 7.702 -9.944 -6.936 1.00 0.00 C ATOM 1165 NH1 ARG A 75 8.895 -9.373 -6.814 1.00 0.00 N ATOM 1166 NH2 ARG A 75 7.343 -10.484 -8.091 1.00 0.00 N ATOM 0 H ARG A 75 4.999 -7.541 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 75 4.557 -10.094 -1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.021 -8.497 -2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.138 -10.073 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.647 -11.150 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.268 -10.118 -3.780 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.844 -8.342 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.176 -9.457 -4.372 1.00 0.00 H new ATOM 0 HE ARG A 75 5.962 -10.451 -6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.172 -8.955 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.534 -9.352 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.427 -10.921 -8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.983 -10.462 -8.885 1.00 0.00 H new ATOM 1180 N PRO A 76 5.984 -7.872 0.507 1.00 0.00 N ATOM 1181 CA PRO A 76 6.150 -7.617 1.943 1.00 0.00 C ATOM 1182 C PRO A 76 4.826 -7.375 2.663 1.00 0.00 C ATOM 1183 O PRO A 76 4.757 -7.449 3.888 1.00 0.00 O ATOM 1184 CB PRO A 76 7.031 -6.366 2.002 1.00 0.00 C ATOM 1185 CG PRO A 76 6.873 -5.715 0.675 1.00 0.00 C ATOM 1186 CD PRO A 76 6.611 -6.821 -0.310 1.00 0.00 C ATOM 0 HA PRO A 76 6.586 -8.480 2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.717 -5.701 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.072 -6.626 2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.048 -5.002 0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.771 -5.159 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.953 -6.493 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.533 -7.171 -0.774 1.00 0.00 H new ATOM 1194 N MET A 77 3.780 -7.083 1.902 1.00 0.00 N ATOM 1195 CA MET A 77 2.446 -6.930 2.472 1.00 0.00 C ATOM 1196 C MET A 77 1.814 -8.289 2.757 1.00 0.00 C ATOM 1197 O MET A 77 0.825 -8.379 3.470 1.00 0.00 O ATOM 1198 CB MET A 77 1.538 -6.138 1.528 1.00 0.00 C ATOM 1199 CG MET A 77 1.834 -4.650 1.482 1.00 0.00 C ATOM 1200 SD MET A 77 1.549 -3.837 3.065 1.00 0.00 S ATOM 1201 CE MET A 77 1.769 -2.123 2.606 1.00 0.00 C ATOM 0 H MET A 77 3.828 -6.948 0.892 1.00 0.00 H new ATOM 0 HA MET A 77 2.552 -6.384 3.409 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.633 -6.547 0.522 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.502 -6.282 1.834 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.871 -4.499 1.182 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.210 -4.183 0.720 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.521 -1.485 3.454 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.806 -1.954 2.316 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.115 -1.884 1.768 1.00 0.00 H new ATOM 1211 N SER A 78 2.398 -9.340 2.196 1.00 0.00 N ATOM 1212 CA SER A 78 1.818 -10.680 2.254 1.00 0.00 C ATOM 1213 C SER A 78 2.085 -11.375 3.591 1.00 0.00 C ATOM 1214 O SER A 78 1.461 -12.389 3.904 1.00 0.00 O ATOM 1215 CB SER A 78 2.380 -11.522 1.109 1.00 0.00 C ATOM 1216 OG SER A 78 1.867 -12.846 1.127 1.00 0.00 O ATOM 0 H SER A 78 3.282 -9.291 1.690 1.00 0.00 H new ATOM 0 HA SER A 78 0.737 -10.579 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.136 -11.050 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.467 -11.552 1.180 1.00 0.00 H new ATOM 0 HG SER A 78 2.247 -13.354 0.380 1.00 0.00 H new ATOM 1222 N VAL A 79 3.014 -10.844 4.364 1.00 0.00 N ATOM 1223 CA VAL A 79 3.405 -11.454 5.628 1.00 0.00 C ATOM 1224 C VAL A 79 3.862 -10.363 6.589 1.00 0.00 C ATOM 1225 O VAL A 79 4.354 -9.326 6.146 1.00 0.00 O ATOM 1226 CB VAL A 79 4.528 -12.503 5.406 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.731 -11.881 4.714 1.00 0.00 C ATOM 1228 CG2 VAL A 79 4.944 -13.159 6.715 1.00 0.00 C ATOM 0 H VAL A 79 3.517 -9.985 4.139 1.00 0.00 H new ATOM 0 HA VAL A 79 2.549 -11.974 6.059 1.00 0.00 H new ATOM 0 HB VAL A 79 4.123 -13.279 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.501 -12.639 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.429 -11.485 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.127 -11.073 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.732 -13.888 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.314 -12.398 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.085 -13.662 7.159 1.00 0.00 H new ATOM 1238 N HIS A 80 3.676 -10.580 7.895 1.00 0.00 N ATOM 1239 CA HIS A 80 4.017 -9.563 8.886 1.00 0.00 C ATOM 1240 C HIS A 80 5.506 -9.244 8.819 1.00 0.00 C ATOM 1241 O HIS A 80 6.352 -10.065 9.182 1.00 0.00 O ATOM 1242 CB HIS A 80 3.620 -9.998 10.297 1.00 0.00 C ATOM 1243 CG HIS A 80 3.403 -8.841 11.223 1.00 0.00 C ATOM 1244 ND1 HIS A 80 2.176 -8.243 11.395 1.00 0.00 N ATOM 1245 CD2 HIS A 80 4.263 -8.159 12.017 1.00 0.00 C ATOM 1246 CE1 HIS A 80 2.287 -7.246 12.251 1.00 0.00 C ATOM 1247 NE2 HIS A 80 3.542 -7.171 12.645 1.00 0.00 N ATOM 0 H HIS A 80 3.295 -11.442 8.284 1.00 0.00 H new ATOM 0 HA HIS A 80 3.452 -8.661 8.652 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.708 -10.592 10.246 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.398 -10.643 10.705 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.319 -8.355 12.135 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.484 -6.600 12.575 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.917 -6.492 13.307 1.00 0.00 H new ATOM 1256 N MET A 81 5.806 -8.041 8.354 1.00 0.00 N ATOM 1257 CA MET A 81 7.155 -7.666 7.976 1.00 0.00 C ATOM 1258 C MET A 81 7.524 -6.255 8.454 1.00 0.00 C ATOM 1259 O MET A 81 6.696 -5.530 9.006 1.00 0.00 O ATOM 1260 CB MET A 81 7.286 -7.755 6.447 1.00 0.00 C ATOM 1261 CG MET A 81 7.635 -9.148 5.950 1.00 0.00 C ATOM 1262 SD MET A 81 8.009 -9.192 4.187 1.00 0.00 S ATOM 1263 CE MET A 81 9.433 -8.105 4.110 1.00 0.00 C ATOM 0 H MET A 81 5.118 -7.298 8.229 1.00 0.00 H new ATOM 0 HA MET A 81 7.847 -8.356 8.460 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.348 -7.439 5.991 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.053 -7.056 6.114 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.493 -9.523 6.508 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.803 -9.821 6.156 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.969 -8.273 3.176 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.102 -7.068 4.157 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.095 -8.313 4.950 1.00 0.00 H new ATOM 1273 N PRO A 82 8.813 -5.899 8.248 1.00 0.00 N ATOM 1274 CA PRO A 82 9.445 -4.590 8.511 1.00 0.00 C ATOM 1275 C PRO A 82 8.668 -3.309 8.169 1.00 0.00 C ATOM 1276 O PRO A 82 9.226 -2.254 8.345 1.00 0.00 O ATOM 1277 CB PRO A 82 10.739 -4.622 7.677 1.00 0.00 C ATOM 1278 CG PRO A 82 10.749 -5.942 6.988 1.00 0.00 C ATOM 1279 CD PRO A 82 9.864 -6.825 7.804 1.00 0.00 C ATOM 0 HA PRO A 82 9.552 -4.506 9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.759 -3.805 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.617 -4.507 8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.381 -5.854 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.760 -6.346 6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.458 -7.648 7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.397 -7.268 8.646 1.00 0.00 H new ATOM 1287 N ALA A 83 7.428 -3.405 7.657 1.00 0.00 N ATOM 1288 CA ALA A 83 6.715 -2.311 6.935 1.00 0.00 C ATOM 1289 C ALA A 83 6.962 -0.887 7.464 1.00 0.00 C ATOM 1290 O ALA A 83 6.955 0.057 6.672 1.00 0.00 O ATOM 1291 CB ALA A 83 5.218 -2.588 6.952 1.00 0.00 C ATOM 0 H ALA A 83 6.874 -4.258 7.730 1.00 0.00 H new ATOM 0 HA ALA A 83 7.130 -2.323 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.694 -1.790 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.018 -3.540 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.868 -2.632 7.983 1.00 0.00 H new ATOM 1297 N MET A 84 7.179 -0.722 8.764 1.00 0.00 N ATOM 1298 CA MET A 84 7.610 0.573 9.311 1.00 0.00 C ATOM 1299 C MET A 84 8.871 1.055 8.584 1.00 0.00 C ATOM 1300 O MET A 84 8.968 2.197 8.135 1.00 0.00 O ATOM 1301 CB MET A 84 7.914 0.437 10.804 1.00 0.00 C ATOM 1302 CG MET A 84 6.784 -0.183 11.607 1.00 0.00 C ATOM 1303 SD MET A 84 7.373 -1.472 12.725 1.00 0.00 S ATOM 1304 CE MET A 84 8.109 -2.612 11.553 1.00 0.00 C ATOM 0 H MET A 84 7.066 -1.459 9.460 1.00 0.00 H new ATOM 0 HA MET A 84 6.807 1.296 9.168 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.811 -0.170 10.929 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.137 1.423 11.211 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.281 0.594 12.183 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.045 -0.604 10.926 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.457 -3.501 12.079 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.366 -2.899 10.809 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.952 -2.130 11.057 1.00 0.00 H new ATOM 1314 N LYS A 85 9.826 0.146 8.465 1.00 0.00 N ATOM 1315 CA LYS A 85 11.066 0.376 7.741 1.00 0.00 C ATOM 1316 C LYS A 85 10.809 0.451 6.251 1.00 0.00 C ATOM 1317 O LYS A 85 11.539 1.112 5.525 1.00 0.00 O ATOM 1318 CB LYS A 85 12.053 -0.768 7.960 1.00 0.00 C ATOM 1319 CG LYS A 85 12.638 -0.884 9.351 1.00 0.00 C ATOM 1320 CD LYS A 85 11.612 -1.311 10.390 1.00 0.00 C ATOM 1321 CE LYS A 85 12.271 -1.665 11.711 1.00 0.00 C ATOM 1322 NZ LYS A 85 13.084 -0.543 12.255 1.00 0.00 N ATOM 0 H LYS A 85 9.760 -0.786 8.875 1.00 0.00 H new ATOM 0 HA LYS A 85 11.477 1.313 8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.551 -1.705 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.873 -0.654 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.455 -1.605 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.064 0.076 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.893 -0.506 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.053 -2.170 10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.504 -1.939 12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.908 -2.539 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.417 -0.786 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.902 -0.375 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.502 0.318 12.300 1.00 0.00 H new ATOM 1336 N ILE A 86 9.789 -0.259 5.791 1.00 0.00 N ATOM 1337 CA ILE A 86 9.529 -0.350 4.367 1.00 0.00 C ATOM 1338 C ILE A 86 9.158 1.019 3.812 1.00 0.00 C ATOM 1339 O ILE A 86 9.440 1.333 2.656 1.00 0.00 O ATOM 1340 CB ILE A 86 8.426 -1.383 4.029 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.854 -2.773 4.506 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.132 -1.398 2.533 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.874 -3.875 4.160 1.00 0.00 C ATOM 0 H ILE A 86 9.135 -0.775 6.379 1.00 0.00 H new ATOM 0 HA ILE A 86 10.448 -0.698 3.895 1.00 0.00 H new ATOM 0 HB ILE A 86 7.510 -1.096 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.823 -3.013 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.990 -2.748 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.354 -2.132 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.794 -0.411 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.038 -1.662 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.251 -4.827 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.909 -3.662 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.756 -3.930 3.078 1.00 0.00 H new ATOM 1355 N CYS A 87 8.552 1.843 4.653 1.00 0.00 N ATOM 1356 CA CYS A 87 8.292 3.229 4.295 1.00 0.00 C ATOM 1357 C CYS A 87 9.606 3.954 4.030 1.00 0.00 C ATOM 1358 O CYS A 87 9.727 4.733 3.086 1.00 0.00 O ATOM 1359 CB CYS A 87 7.510 3.927 5.405 1.00 0.00 C ATOM 1360 SG CYS A 87 7.094 5.662 5.046 1.00 0.00 S ATOM 0 H CYS A 87 8.232 1.578 5.584 1.00 0.00 H new ATOM 0 HA CYS A 87 7.691 3.251 3.386 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.588 3.374 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 87 8.093 3.888 6.325 1.00 0.00 H new ATOM 1365 N GLU A 88 10.595 3.649 4.850 1.00 0.00 N ATOM 1366 CA GLU A 88 11.933 4.199 4.700 1.00 0.00 C ATOM 1367 C GLU A 88 12.638 3.585 3.492 1.00 0.00 C ATOM 1368 O GLU A 88 13.584 4.155 2.951 1.00 0.00 O ATOM 1369 CB GLU A 88 12.721 3.925 5.967 1.00 0.00 C ATOM 1370 CG GLU A 88 12.304 4.792 7.143 1.00 0.00 C ATOM 1371 CD GLU A 88 12.593 6.261 6.918 1.00 0.00 C ATOM 1372 OE1 GLU A 88 13.707 6.708 7.267 1.00 0.00 O ATOM 1373 OE2 GLU A 88 11.713 6.976 6.401 1.00 0.00 O ATOM 0 H GLU A 88 10.495 3.012 5.640 1.00 0.00 H new ATOM 0 HA GLU A 88 11.865 5.274 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.602 2.876 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.781 4.084 5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.238 4.660 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.826 4.457 8.039 1.00 0.00 H new ATOM 1380 N LYS A 89 12.181 2.410 3.085 1.00 0.00 N ATOM 1381 CA LYS A 89 12.665 1.787 1.863 1.00 0.00 C ATOM 1382 C LYS A 89 12.116 2.542 0.660 1.00 0.00 C ATOM 1383 O LYS A 89 12.815 2.760 -0.328 1.00 0.00 O ATOM 1384 CB LYS A 89 12.258 0.314 1.802 1.00 0.00 C ATOM 1385 CG LYS A 89 12.898 -0.529 2.877 1.00 0.00 C ATOM 1386 CD LYS A 89 12.445 -1.971 2.787 1.00 0.00 C ATOM 1387 CE LYS A 89 12.523 -2.639 4.141 1.00 0.00 C ATOM 1388 NZ LYS A 89 13.896 -2.585 4.711 1.00 0.00 N ATOM 0 H LYS A 89 11.475 1.869 3.584 1.00 0.00 H new ATOM 0 HA LYS A 89 13.754 1.831 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.174 0.240 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.527 -0.090 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 89 13.983 -0.480 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.644 -0.126 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.422 -2.014 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.068 -2.510 2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.827 -2.154 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.209 -3.679 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.952 -3.208 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.582 -2.900 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.116 -1.609 4.995 1.00 0.00 H new ATOM 1402 N LEU A 90 10.859 2.963 0.768 1.00 0.00 N ATOM 1403 CA LEU A 90 10.229 3.788 -0.256 1.00 0.00 C ATOM 1404 C LEU A 90 10.886 5.159 -0.319 1.00 0.00 C ATOM 1405 O LEU A 90 10.899 5.809 -1.365 1.00 0.00 O ATOM 1406 CB LEU A 90 8.730 3.939 0.020 1.00 0.00 C ATOM 1407 CG LEU A 90 7.826 3.013 -0.791 1.00 0.00 C ATOM 1408 CD1 LEU A 90 8.020 3.274 -2.274 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.099 1.553 -0.459 1.00 0.00 C ATOM 0 H LEU A 90 10.254 2.744 1.560 1.00 0.00 H new ATOM 0 HA LEU A 90 10.360 3.292 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.551 3.759 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.441 4.971 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 90 6.789 3.222 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.373 2.611 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.767 4.310 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.060 3.088 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.441 0.916 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.138 1.316 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.914 1.380 0.601 1.00 0.00 H new ATOM 1421 N LYS A 91 11.441 5.582 0.808 1.00 0.00 N ATOM 1422 CA LYS A 91 12.174 6.841 0.893 1.00 0.00 C ATOM 1423 C LYS A 91 13.412 6.809 0.006 1.00 0.00 C ATOM 1424 O LYS A 91 13.929 7.850 -0.402 1.00 0.00 O ATOM 1425 CB LYS A 91 12.584 7.102 2.341 1.00 0.00 C ATOM 1426 CG LYS A 91 11.409 7.317 3.275 1.00 0.00 C ATOM 1427 CD LYS A 91 10.921 8.750 3.226 1.00 0.00 C ATOM 1428 CE LYS A 91 11.935 9.687 3.860 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.129 9.400 5.308 1.00 0.00 N ATOM 0 H LYS A 91 11.397 5.066 1.687 1.00 0.00 H new ATOM 0 HA LYS A 91 11.522 7.643 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.174 6.259 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.229 7.980 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.596 6.644 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.701 7.065 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.745 9.044 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.967 8.832 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.889 9.594 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.604 10.718 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.828 10.061 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.224 9.513 5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.470 8.425 5.426 1.00 0.00 H new ATOM 1443 N LYS A 92 13.883 5.605 -0.282 1.00 0.00 N ATOM 1444 CA LYS A 92 15.032 5.414 -1.153 1.00 0.00 C ATOM 1445 C LYS A 92 14.610 5.586 -2.610 1.00 0.00 C ATOM 1446 O LYS A 92 15.440 5.802 -3.495 1.00 0.00 O ATOM 1447 CB LYS A 92 15.635 4.025 -0.913 1.00 0.00 C ATOM 1448 CG LYS A 92 16.939 3.773 -1.650 1.00 0.00 C ATOM 1449 CD LYS A 92 17.540 2.433 -1.259 1.00 0.00 C ATOM 1450 CE LYS A 92 18.797 2.125 -2.056 1.00 0.00 C ATOM 1451 NZ LYS A 92 18.503 1.905 -3.497 1.00 0.00 N ATOM 0 H LYS A 92 13.483 4.739 0.079 1.00 0.00 H new ATOM 0 HA LYS A 92 15.792 6.162 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.805 3.895 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.909 3.270 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.762 3.796 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.647 4.571 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.776 2.437 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.805 1.644 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.503 2.949 -1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.279 1.238 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.340 1.502 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.703 1.247 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.260 2.812 -3.944 1.00 0.00 H new ATOM 1465 N LEU A 93 13.305 5.506 -2.847 1.00 0.00 N ATOM 1466 CA LEU A 93 12.752 5.703 -4.179 1.00 0.00 C ATOM 1467 C LEU A 93 12.294 7.146 -4.362 1.00 0.00 C ATOM 1468 O LEU A 93 12.497 7.735 -5.424 1.00 0.00 O ATOM 1469 CB LEU A 93 11.580 4.747 -4.445 1.00 0.00 C ATOM 1470 CG LEU A 93 11.960 3.293 -4.760 1.00 0.00 C ATOM 1471 CD1 LEU A 93 12.525 2.589 -3.536 1.00 0.00 C ATOM 1472 CD2 LEU A 93 10.754 2.538 -5.296 1.00 0.00 C ATOM 0 H LEU A 93 12.609 5.305 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 93 13.542 5.485 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.928 4.751 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.998 5.139 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 93 12.737 3.308 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.784 1.562 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.418 3.113 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.779 2.587 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.037 1.509 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.959 2.545 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.400 3.019 -6.208 1.00 0.00 H new ATOM 1484 N ASP A 94 11.672 7.712 -3.332 1.00 0.00 N ATOM 1485 CA ASP A 94 11.235 9.105 -3.379 1.00 0.00 C ATOM 1486 C ASP A 94 10.911 9.617 -1.976 1.00 0.00 C ATOM 1487 O ASP A 94 10.257 8.931 -1.190 1.00 0.00 O ATOM 1488 CB ASP A 94 10.008 9.253 -4.282 1.00 0.00 C ATOM 1489 CG ASP A 94 9.807 10.683 -4.739 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.471 11.539 -3.900 1.00 0.00 O ATOM 1491 OD2 ASP A 94 10.003 10.957 -5.943 1.00 0.00 O ATOM 0 H ASP A 94 11.460 7.231 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 94 12.050 9.701 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.119 8.607 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.121 8.916 -3.746 1.00 0.00 H new ATOM 1496 N SER A 95 11.375 10.821 -1.664 1.00 0.00 N ATOM 1497 CA SER A 95 11.196 11.397 -0.336 1.00 0.00 C ATOM 1498 C SER A 95 9.859 12.130 -0.191 1.00 0.00 C ATOM 1499 O SER A 95 9.420 12.405 0.928 1.00 0.00 O ATOM 1500 CB SER A 95 12.349 12.348 -0.017 1.00 0.00 C ATOM 1501 OG SER A 95 13.583 11.652 0.026 1.00 0.00 O ATOM 0 H SER A 95 11.881 11.420 -2.316 1.00 0.00 H new ATOM 0 HA SER A 95 11.191 10.571 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.396 13.134 -0.771 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.169 12.836 0.941 1.00 0.00 H new ATOM 0 HG SER A 95 14.306 12.281 0.230 1.00 0.00 H new ATOM 1507 N GLN A 96 9.199 12.430 -1.307 1.00 0.00 N ATOM 1508 CA GLN A 96 7.953 13.195 -1.267 1.00 0.00 C ATOM 1509 C GLN A 96 6.849 12.376 -0.606 1.00 0.00 C ATOM 1510 O GLN A 96 5.876 12.919 -0.087 1.00 0.00 O ATOM 1511 CB GLN A 96 7.534 13.623 -2.675 1.00 0.00 C ATOM 1512 CG GLN A 96 6.354 14.581 -2.694 1.00 0.00 C ATOM 1513 CD GLN A 96 6.047 15.098 -4.083 1.00 0.00 C ATOM 1514 OE1 GLN A 96 5.250 14.516 -4.815 1.00 0.00 O ATOM 1515 NE2 GLN A 96 6.681 16.199 -4.453 1.00 0.00 N ATOM 0 H GLN A 96 9.502 12.159 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 96 8.121 14.094 -0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.383 14.095 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.280 12.736 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.474 14.076 -2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.564 15.423 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.335 16.650 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.516 16.596 -5.378 1.00 0.00 H new ATOM 1524 N ILE A 97 7.035 11.064 -0.607 1.00 0.00 N ATOM 1525 CA ILE A 97 6.120 10.140 0.055 1.00 0.00 C ATOM 1526 C ILE A 97 6.078 10.420 1.562 1.00 0.00 C ATOM 1527 O ILE A 97 5.101 10.114 2.248 1.00 0.00 O ATOM 1528 CB ILE A 97 6.573 8.678 -0.187 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.733 8.418 -1.688 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.591 7.687 0.423 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.277 7.043 -2.014 1.00 0.00 C ATOM 0 H ILE A 97 7.824 10.608 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 97 5.123 10.283 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 97 7.536 8.536 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.765 8.540 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.399 9.171 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.937 6.670 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.524 7.856 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.608 7.824 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.363 6.932 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.260 6.923 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.601 6.282 -1.624 1.00 0.00 H new ATOM 1543 N CYS A 98 7.142 11.030 2.061 1.00 0.00 N ATOM 1544 CA CYS A 98 7.276 11.308 3.479 1.00 0.00 C ATOM 1545 C CYS A 98 6.679 12.667 3.828 1.00 0.00 C ATOM 1546 O CYS A 98 5.884 12.787 4.762 1.00 0.00 O ATOM 1547 CB CYS A 98 8.756 11.281 3.865 1.00 0.00 C ATOM 1548 SG CYS A 98 9.079 11.307 5.657 1.00 0.00 S ATOM 0 H CYS A 98 7.932 11.344 1.497 1.00 0.00 H new ATOM 0 HA CYS A 98 6.734 10.543 4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.211 10.386 3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.252 12.138 3.408 1.00 0.00 H new ATOM 1553 N GLU A 99 7.041 13.679 3.052 1.00 0.00 N ATOM 1554 CA GLU A 99 6.717 15.059 3.391 1.00 0.00 C ATOM 1555 C GLU A 99 5.549 15.589 2.565 1.00 0.00 C ATOM 1556 O GLU A 99 5.391 16.797 2.404 1.00 0.00 O ATOM 1557 CB GLU A 99 7.952 15.936 3.193 1.00 0.00 C ATOM 1558 CG GLU A 99 9.152 15.449 3.983 1.00 0.00 C ATOM 1559 CD GLU A 99 10.395 16.270 3.733 1.00 0.00 C ATOM 1560 OE1 GLU A 99 11.092 16.008 2.730 1.00 0.00 O ATOM 1561 OE2 GLU A 99 10.685 17.177 4.539 1.00 0.00 O ATOM 0 H GLU A 99 7.561 13.570 2.181 1.00 0.00 H new ATOM 0 HA GLU A 99 6.410 15.088 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.207 15.963 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.718 16.958 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.914 15.474 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.352 14.409 3.725 1.00 0.00 H new ATOM 1568 N LEU A 100 4.741 14.677 2.038 1.00 0.00 N ATOM 1569 CA LEU A 100 3.524 15.053 1.327 1.00 0.00 C ATOM 1570 C LEU A 100 2.588 15.785 2.284 1.00 0.00 C ATOM 1571 O LEU A 100 1.976 16.797 1.932 1.00 0.00 O ATOM 1572 CB LEU A 100 2.837 13.803 0.774 1.00 0.00 C ATOM 1573 CG LEU A 100 1.771 14.058 -0.292 1.00 0.00 C ATOM 1574 CD1 LEU A 100 2.395 14.663 -1.540 1.00 0.00 C ATOM 1575 CD2 LEU A 100 1.034 12.773 -0.632 1.00 0.00 C ATOM 0 H LEU A 100 4.906 13.672 2.089 1.00 0.00 H new ATOM 0 HA LEU A 100 3.776 15.710 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.599 13.147 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.376 13.265 1.603 1.00 0.00 H new ATOM 0 HG LEU A 100 1.050 14.770 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.620 14.837 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.873 15.609 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.140 13.977 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.280 12.976 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.743 12.037 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.550 12.383 0.264 1.00 0.00 H new ATOM 1587 N LYS A 101 2.497 15.239 3.494 1.00 0.00 N ATOM 1588 CA LYS A 101 1.753 15.832 4.605 1.00 0.00 C ATOM 1589 C LYS A 101 0.251 15.936 4.357 1.00 0.00 C ATOM 1590 O LYS A 101 -0.238 15.807 3.233 1.00 0.00 O ATOM 1591 CB LYS A 101 2.335 17.193 4.987 1.00 0.00 C ATOM 1592 CG LYS A 101 3.603 17.068 5.810 1.00 0.00 C ATOM 1593 CD LYS A 101 3.387 16.119 6.979 1.00 0.00 C ATOM 1594 CE LYS A 101 4.627 15.972 7.836 1.00 0.00 C ATOM 1595 NZ LYS A 101 4.431 14.965 8.911 1.00 0.00 N ATOM 0 H LYS A 101 2.946 14.356 3.736 1.00 0.00 H new ATOM 0 HA LYS A 101 1.871 15.144 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.547 17.762 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.593 17.757 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.416 16.703 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.902 18.049 6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.564 16.484 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.092 15.141 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.470 15.678 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.880 16.935 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.767 15.353 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.420 14.732 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.968 14.104 8.683 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.470 16.136 5.451 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.916 16.274 5.424 1.00 0.00 C ATOM 1611 C TYR A 102 -2.300 17.721 5.689 1.00 0.00 C ATOM 1612 O TYR A 102 -1.514 18.633 5.441 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.558 15.379 6.491 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.360 13.898 6.274 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.006 13.237 5.239 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -1.547 13.157 7.121 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -2.846 11.879 5.053 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -1.379 11.799 6.938 1.00 0.00 C ATOM 1619 CZ TYR A 102 -2.032 11.165 5.904 1.00 0.00 C ATOM 1620 OH TYR A 102 -1.872 9.812 5.722 1.00 0.00 O ATOM 0 H TYR A 102 -0.066 16.207 6.385 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.275 15.972 4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.149 15.648 7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.627 15.588 6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.644 13.794 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.038 13.651 7.936 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.357 11.378 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.739 11.237 7.602 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.966 9.597 4.771 1.00 0.00 H new ATOM 1630 N GLU A 103 -3.509 17.913 6.196 1.00 0.00 N ATOM 1631 CA GLU A 103 -4.004 19.234 6.554 1.00 0.00 C ATOM 1632 C GLU A 103 -3.150 19.833 7.671 1.00 0.00 C ATOM 1633 O GLU A 103 -2.239 20.621 7.407 1.00 0.00 O ATOM 1634 CB GLU A 103 -5.472 19.159 7.003 1.00 0.00 C ATOM 1635 CG GLU A 103 -6.434 18.602 5.955 1.00 0.00 C ATOM 1636 CD GLU A 103 -6.204 17.135 5.652 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -6.521 16.286 6.514 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -5.682 16.823 4.562 1.00 0.00 O ATOM 0 H GLU A 103 -4.173 17.159 6.371 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.940 19.874 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.533 18.539 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.803 20.159 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.458 18.738 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.331 19.177 5.035 1.00 0.00 H new ATOM 1645 N LYS A 104 -3.443 19.439 8.913 1.00 0.00 N ATOM 1646 CA LYS A 104 -2.703 19.909 10.088 1.00 0.00 C ATOM 1647 C LYS A 104 -2.690 21.448 10.129 1.00 0.00 C ATOM 1648 O LYS A 104 -3.627 22.079 9.634 1.00 0.00 O ATOM 1649 CB LYS A 104 -1.275 19.339 10.066 1.00 0.00 C ATOM 1650 CG LYS A 104 -0.655 19.166 11.448 1.00 0.00 C ATOM 1651 CD LYS A 104 0.798 18.717 11.362 1.00 0.00 C ATOM 1652 CE LYS A 104 0.935 17.323 10.762 1.00 0.00 C ATOM 1653 NZ LYS A 104 0.433 16.263 11.676 1.00 0.00 N ATOM 0 H LYS A 104 -4.197 18.788 9.132 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.198 19.556 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.288 18.373 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.640 19.999 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.713 20.108 11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.229 18.433 12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.361 19.428 10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.239 18.727 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.385 17.279 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.982 17.132 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.974 15.388 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.547 16.573 12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.573 16.086 11.483 1.00 0.00 H new ATOM 1667 N THR A 105 -1.632 22.023 10.715 1.00 0.00 N ATOM 1668 CA THR A 105 -1.450 23.479 10.846 1.00 0.00 C ATOM 1669 C THR A 105 -2.748 24.211 11.222 1.00 0.00 C ATOM 1670 O THR A 105 -3.437 24.758 10.334 1.00 0.00 O ATOM 1671 CB THR A 105 -0.776 24.115 9.589 1.00 0.00 C ATOM 1672 OG1 THR A 105 -0.648 25.534 9.756 1.00 0.00 O ATOM 1673 CG2 THR A 105 -1.530 23.825 8.296 1.00 0.00 C ATOM 1674 OXT THR A 105 -3.071 24.247 12.428 1.00 0.00 O ATOM 0 H THR A 105 -0.866 21.484 11.118 1.00 0.00 H new ATOM 0 HA THR A 105 -0.761 23.614 11.680 1.00 0.00 H new ATOM 0 HB THR A 105 0.208 23.654 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.223 25.920 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.012 24.294 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.577 22.748 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.541 24.226 8.367 1.00 0.00 H new TER 1682 THR A 105