USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 58:sc= 0.509 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0542) USER MOD Single : A 44 MET CE :methyl -151:sc= -5.56! (180deg=-7.25!) USER MOD Single : A 50 ASN : amide:sc= -0.604 K(o=-0.6,f=-0.044) USER MOD Single : A 52 GLN : amide:sc= -0.0747 K(o=-0.075,f=-0.99) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.0567 (180deg=-0.428) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 72 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.075) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0349) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 105:sc= 0.468 USER MOD Single : A 80 SER OG : rot 180:sc= -0.489 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -9:sc= 1.09 USER MOD Single : A 90 THR OG1 : rot 171:sc= -0.958 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.697 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.0594 X(o=-0.059,f=-0.17) USER MOD Single : A 99 HIS : no HE2:sc= -0.959 K(o=-0.96,f=-2.6!) USER MOD Single : A 101 GLN : amide:sc= -0.0725 K(o=-0.073,f=-1.6!) USER MOD Single : A 103 SER OG : rot 35:sc= 0.801 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.127 22.351 3.699 1.00 0.00 N ATOM 67 CA GLU A 8 1.875 21.109 3.854 1.00 0.00 C ATOM 68 C GLU A 8 1.080 19.924 3.315 1.00 0.00 C ATOM 69 O GLU A 8 -0.029 20.086 2.805 1.00 0.00 O ATOM 70 CB GLU A 8 2.222 20.878 5.326 1.00 0.00 C ATOM 71 CG GLU A 8 1.007 20.664 6.212 1.00 0.00 C ATOM 72 CD GLU A 8 1.365 20.074 7.562 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.226 20.654 8.255 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.782 19.030 7.926 1.00 0.00 O ATOM 0 HA GLU A 8 2.797 21.196 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.876 20.009 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.785 21.735 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.498 21.616 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.305 20.002 5.705 1.00 0.00 H new ATOM 81 N VAL A 9 1.654 18.731 3.432 1.00 0.00 N ATOM 82 CA VAL A 9 1.000 17.518 2.957 1.00 0.00 C ATOM 83 C VAL A 9 0.093 16.927 4.031 1.00 0.00 C ATOM 84 O VAL A 9 0.432 16.928 5.214 1.00 0.00 O ATOM 85 CB VAL A 9 2.030 16.455 2.529 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.933 16.087 3.696 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.327 15.224 1.979 1.00 0.00 C ATOM 0 H VAL A 9 2.571 18.579 3.852 1.00 0.00 H new ATOM 0 HA VAL A 9 0.400 17.800 2.092 1.00 0.00 H new ATOM 0 HB VAL A 9 2.652 16.874 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.654 15.335 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.463 16.975 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.330 15.687 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.069 14.483 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.680 14.801 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.727 15.504 1.113 1.00 0.00 H new ATOM 97 N ASP A 10 -1.061 16.422 3.610 1.00 0.00 N ATOM 98 CA ASP A 10 -2.018 15.825 4.535 1.00 0.00 C ATOM 99 C ASP A 10 -2.281 14.366 4.179 1.00 0.00 C ATOM 100 O ASP A 10 -2.659 14.034 3.055 1.00 0.00 O ATOM 101 CB ASP A 10 -3.331 16.611 4.521 1.00 0.00 C ATOM 102 CG ASP A 10 -4.071 16.523 5.841 1.00 0.00 C ATOM 103 OD1 ASP A 10 -4.545 15.420 6.183 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.177 17.559 6.532 1.00 0.00 O ATOM 0 H ASP A 10 -1.357 16.414 2.634 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.590 15.864 5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.123 17.656 4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.970 16.232 3.723 1.00 0.00 H new ATOM 109 N PRO A 11 -2.074 13.471 5.157 1.00 0.00 N ATOM 110 CA PRO A 11 -2.282 12.032 4.970 1.00 0.00 C ATOM 111 C PRO A 11 -3.757 11.674 4.820 1.00 0.00 C ATOM 112 O PRO A 11 -4.126 10.873 3.961 1.00 0.00 O ATOM 113 CB PRO A 11 -1.711 11.422 6.253 1.00 0.00 C ATOM 114 CG PRO A 11 -1.819 12.507 7.268 1.00 0.00 C ATOM 115 CD PRO A 11 -1.623 13.796 6.520 1.00 0.00 C ATOM 0 HA PRO A 11 -1.807 11.666 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.273 10.539 6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.676 11.109 6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.791 12.486 7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.065 12.389 8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.209 14.606 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.580 14.114 6.533 1.00 0.00 H new ATOM 123 N ALA A 12 -4.595 12.272 5.660 1.00 0.00 N ATOM 124 CA ALA A 12 -6.029 12.018 5.618 1.00 0.00 C ATOM 125 C ALA A 12 -6.601 12.323 4.238 1.00 0.00 C ATOM 126 O ALA A 12 -7.633 11.777 3.847 1.00 0.00 O ATOM 127 CB ALA A 12 -6.742 12.841 6.681 1.00 0.00 C ATOM 0 H ALA A 12 -4.305 12.936 6.378 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.191 10.960 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.813 12.641 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.362 12.571 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.563 13.901 6.501 1.00 0.00 H new ATOM 133 N LYS A 13 -5.925 13.200 3.504 1.00 0.00 N ATOM 134 CA LYS A 13 -6.365 13.579 2.166 1.00 0.00 C ATOM 135 C LYS A 13 -5.728 12.682 1.110 1.00 0.00 C ATOM 136 O LYS A 13 -6.349 12.366 0.094 1.00 0.00 O ATOM 137 CB LYS A 13 -6.015 15.042 1.887 1.00 0.00 C ATOM 138 CG LYS A 13 -6.534 16.004 2.941 1.00 0.00 C ATOM 139 CD LYS A 13 -7.917 16.525 2.588 1.00 0.00 C ATOM 140 CE LYS A 13 -9.011 15.662 3.197 1.00 0.00 C ATOM 141 NZ LYS A 13 -10.332 15.905 2.555 1.00 0.00 N ATOM 0 H LYS A 13 -5.070 13.662 3.813 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.447 13.456 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.932 15.141 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.422 15.325 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.569 15.502 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.844 16.841 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.022 17.550 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.032 16.549 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.744 14.610 3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.083 15.867 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.050 15.298 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.599 16.903 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.271 15.685 1.540 1.00 0.00 H new ATOM 155 N CYS A 14 -4.488 12.275 1.356 1.00 0.00 N ATOM 156 CA CYS A 14 -3.768 11.413 0.425 1.00 0.00 C ATOM 157 C CYS A 14 -4.687 10.336 -0.141 1.00 0.00 C ATOM 158 O CYS A 14 -5.723 10.018 0.443 1.00 0.00 O ATOM 159 CB CYS A 14 -2.570 10.765 1.121 1.00 0.00 C ATOM 160 SG CYS A 14 -1.167 11.878 1.368 1.00 0.00 S ATOM 0 H CYS A 14 -3.960 12.528 2.192 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.410 12.029 -0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.890 10.382 2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.241 9.909 0.532 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.545 12.903 2.072 1.00 0.00 H new ATOM 166 N VAL A 15 -4.302 9.778 -1.285 1.00 0.00 N ATOM 167 CA VAL A 15 -5.091 8.737 -1.931 1.00 0.00 C ATOM 168 C VAL A 15 -4.194 7.656 -2.525 1.00 0.00 C ATOM 169 O VAL A 15 -2.968 7.739 -2.446 1.00 0.00 O ATOM 170 CB VAL A 15 -5.982 9.318 -3.045 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.338 9.723 -2.487 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.297 10.501 -3.713 1.00 0.00 C ATOM 0 H VAL A 15 -3.448 10.030 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.725 8.297 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.141 8.547 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.954 10.131 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.831 8.850 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.202 10.478 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.941 10.899 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.106 11.277 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.352 10.176 -4.149 1.00 0.00 H new ATOM 182 N LEU A 16 -4.813 6.644 -3.122 1.00 0.00 N ATOM 183 CA LEU A 16 -4.071 5.545 -3.731 1.00 0.00 C ATOM 184 C LEU A 16 -4.591 5.249 -5.134 1.00 0.00 C ATOM 185 O LEU A 16 -5.772 5.443 -5.422 1.00 0.00 O ATOM 186 CB LEU A 16 -4.174 4.291 -2.862 1.00 0.00 C ATOM 187 CG LEU A 16 -3.856 4.475 -1.377 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.649 3.487 -0.536 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.364 4.314 -1.128 1.00 0.00 C ATOM 0 H LEU A 16 -5.827 6.561 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.025 5.843 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.185 3.894 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.499 3.536 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.146 5.484 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.410 3.632 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.715 3.650 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.391 2.470 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.156 4.448 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.049 3.317 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.817 5.061 -1.702 1.00 0.00 H new ATOM 201 N GLN A 17 -3.701 4.778 -6.002 1.00 0.00 N ATOM 202 CA GLN A 17 -4.071 4.454 -7.374 1.00 0.00 C ATOM 203 C GLN A 17 -3.885 2.965 -7.652 1.00 0.00 C ATOM 204 O GLN A 17 -2.934 2.349 -7.172 1.00 0.00 O ATOM 205 CB GLN A 17 -3.237 5.276 -8.358 1.00 0.00 C ATOM 206 CG GLN A 17 -3.746 6.695 -8.550 1.00 0.00 C ATOM 207 CD GLN A 17 -3.433 7.247 -9.926 1.00 0.00 C ATOM 208 OE1 GLN A 17 -4.203 7.068 -10.870 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.297 7.923 -10.049 1.00 0.00 N ATOM 0 H GLN A 17 -2.719 4.613 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.124 4.701 -7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.206 5.313 -8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.225 4.769 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.824 6.714 -8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.301 7.342 -7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.688 8.048 -9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.033 8.317 -10.952 1.00 0.00 H new ATOM 218 N GLY A 18 -4.799 2.394 -8.429 1.00 0.00 N ATOM 219 CA GLY A 18 -4.718 0.982 -8.756 1.00 0.00 C ATOM 220 C GLY A 18 -6.078 0.313 -8.780 1.00 0.00 C ATOM 221 O GLY A 18 -6.631 -0.019 -7.732 1.00 0.00 O ATOM 0 H GLY A 18 -5.595 2.884 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.242 0.864 -9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.082 0.479 -8.027 1.00 0.00 H new ATOM 225 N GLU A 19 -6.618 0.116 -9.978 1.00 0.00 N ATOM 226 CA GLU A 19 -7.923 -0.516 -10.133 1.00 0.00 C ATOM 227 C GLU A 19 -8.005 -1.802 -9.316 1.00 0.00 C ATOM 228 O GLU A 19 -9.051 -2.129 -8.755 1.00 0.00 O ATOM 229 CB GLU A 19 -8.197 -0.817 -11.608 1.00 0.00 C ATOM 230 CG GLU A 19 -9.586 -1.377 -11.867 1.00 0.00 C ATOM 231 CD GLU A 19 -9.920 -1.449 -13.344 1.00 0.00 C ATOM 232 OE1 GLU A 19 -9.876 -0.397 -14.015 1.00 0.00 O ATOM 233 OE2 GLU A 19 -10.224 -2.559 -13.829 1.00 0.00 O ATOM 0 H GLU A 19 -6.172 0.385 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.680 0.177 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.070 0.098 -12.187 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.454 -1.529 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.658 -2.374 -11.433 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.325 -0.755 -11.361 1.00 0.00 H new ATOM 240 N ASP A 20 -6.894 -2.528 -9.254 1.00 0.00 N ATOM 241 CA ASP A 20 -6.839 -3.779 -8.506 1.00 0.00 C ATOM 242 C ASP A 20 -5.951 -3.636 -7.273 1.00 0.00 C ATOM 243 O ASP A 20 -4.826 -4.137 -7.244 1.00 0.00 O ATOM 244 CB ASP A 20 -6.318 -4.908 -9.396 1.00 0.00 C ATOM 245 CG ASP A 20 -7.316 -5.308 -10.466 1.00 0.00 C ATOM 246 OD1 ASP A 20 -8.462 -5.649 -10.109 1.00 0.00 O ATOM 247 OD2 ASP A 20 -6.949 -5.281 -11.659 1.00 0.00 O ATOM 0 H ASP A 20 -6.020 -2.272 -9.713 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.850 -4.022 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.388 -4.594 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.084 -5.775 -8.779 1.00 0.00 H new ATOM 252 N LEU A 21 -6.462 -2.948 -6.259 1.00 0.00 N ATOM 253 CA LEU A 21 -5.716 -2.738 -5.023 1.00 0.00 C ATOM 254 C LEU A 21 -6.148 -3.731 -3.950 1.00 0.00 C ATOM 255 O LEU A 21 -5.314 -4.320 -3.261 1.00 0.00 O ATOM 256 CB LEU A 21 -5.916 -1.307 -4.520 1.00 0.00 C ATOM 257 CG LEU A 21 -4.962 -0.256 -5.089 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.422 1.143 -4.710 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.543 -0.503 -4.600 1.00 0.00 C ATOM 0 H LEU A 21 -7.390 -2.526 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.659 -2.898 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.938 -1.003 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.818 -1.308 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.970 -0.337 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.731 1.878 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.421 1.319 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.444 1.237 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.878 0.254 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.519 -0.450 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.214 -1.491 -4.923 1.00 0.00 H new ATOM 271 N HIS A 22 -7.458 -3.915 -3.814 1.00 0.00 N ATOM 272 CA HIS A 22 -8.001 -4.840 -2.826 1.00 0.00 C ATOM 273 C HIS A 22 -8.047 -6.261 -3.379 1.00 0.00 C ATOM 274 O HIS A 22 -8.778 -7.112 -2.872 1.00 0.00 O ATOM 275 CB HIS A 22 -9.403 -4.401 -2.401 1.00 0.00 C ATOM 276 CG HIS A 22 -9.414 -3.148 -1.580 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.524 -3.150 -0.205 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.327 -1.848 -1.946 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.506 -1.906 0.238 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.387 -1.096 -0.799 1.00 0.00 N ATOM 0 H HIS A 22 -8.162 -3.436 -4.375 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.345 -4.828 -1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.013 -4.248 -3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.869 -5.204 -1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.229 -1.472 -2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.577 -1.602 1.272 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.346 -0.078 -0.755 1.00 0.00 H new ATOM 289 N ARG A 23 -7.261 -6.510 -4.422 1.00 0.00 N ATOM 290 CA ARG A 23 -7.214 -7.827 -5.045 1.00 0.00 C ATOM 291 C ARG A 23 -5.785 -8.195 -5.432 1.00 0.00 C ATOM 292 O ARG A 23 -5.110 -7.445 -6.138 1.00 0.00 O ATOM 293 CB ARG A 23 -8.114 -7.862 -6.282 1.00 0.00 C ATOM 294 CG ARG A 23 -8.320 -9.259 -6.846 1.00 0.00 C ATOM 295 CD ARG A 23 -9.350 -10.037 -6.042 1.00 0.00 C ATOM 296 NE ARG A 23 -10.703 -9.527 -6.245 1.00 0.00 N ATOM 297 CZ ARG A 23 -11.446 -9.816 -7.308 1.00 0.00 C ATOM 298 NH1 ARG A 23 -10.969 -10.609 -8.258 1.00 0.00 N ATOM 299 NH2 ARG A 23 -12.668 -9.313 -7.421 1.00 0.00 N ATOM 0 H ARG A 23 -6.649 -5.817 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.575 -8.557 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.084 -7.435 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.680 -7.228 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.644 -9.189 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.372 -9.797 -6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.313 -11.089 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.098 -9.984 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.100 -8.915 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.030 -10.998 -8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.541 -10.830 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.038 -8.704 -6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.238 -9.535 -8.237 1.00 0.00 H new ATOM 313 N ALA A 24 -5.329 -9.352 -4.965 1.00 0.00 N ATOM 314 CA ALA A 24 -3.981 -9.820 -5.263 1.00 0.00 C ATOM 315 C ALA A 24 -3.956 -11.331 -5.466 1.00 0.00 C ATOM 316 O ALA A 24 -4.918 -12.027 -5.138 1.00 0.00 O ATOM 317 CB ALA A 24 -3.025 -9.419 -4.149 1.00 0.00 C ATOM 0 H ALA A 24 -5.874 -9.983 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.657 -9.350 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.022 -9.775 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.012 -8.333 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.355 -9.861 -3.209 1.00 0.00 H new ATOM 323 N ARG A 25 -2.852 -11.832 -6.010 1.00 0.00 N ATOM 324 CA ARG A 25 -2.703 -13.261 -6.258 1.00 0.00 C ATOM 325 C ARG A 25 -1.490 -13.818 -5.520 1.00 0.00 C ATOM 326 O ARG A 25 -0.505 -13.112 -5.304 1.00 0.00 O ATOM 327 CB ARG A 25 -2.568 -13.528 -7.759 1.00 0.00 C ATOM 328 CG ARG A 25 -3.896 -13.766 -8.457 1.00 0.00 C ATOM 329 CD ARG A 25 -3.718 -13.898 -9.962 1.00 0.00 C ATOM 330 NE ARG A 25 -4.988 -13.784 -10.675 1.00 0.00 N ATOM 331 CZ ARG A 25 -5.084 -13.435 -11.953 1.00 0.00 C ATOM 332 NH1 ARG A 25 -3.991 -13.169 -12.655 1.00 0.00 N ATOM 333 NH2 ARG A 25 -6.275 -13.354 -12.532 1.00 0.00 N ATOM 0 H ARG A 25 -2.048 -11.270 -6.287 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.595 -13.764 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.068 -12.680 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.928 -14.397 -7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.358 -14.671 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.575 -12.941 -8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.033 -13.127 -10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.259 -14.860 -10.190 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.848 -13.983 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.074 -13.232 -12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.068 -12.901 -13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.118 -13.560 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.348 -13.086 -13.513 1.00 0.00 H new ATOM 347 N GLU A 26 -1.569 -15.088 -5.135 1.00 0.00 N ATOM 348 CA GLU A 26 -0.478 -15.738 -4.419 1.00 0.00 C ATOM 349 C GLU A 26 0.813 -15.686 -5.232 1.00 0.00 C ATOM 350 O GLU A 26 0.830 -16.030 -6.414 1.00 0.00 O ATOM 351 CB GLU A 26 -0.838 -17.192 -4.106 1.00 0.00 C ATOM 352 CG GLU A 26 0.346 -18.028 -3.651 1.00 0.00 C ATOM 353 CD GLU A 26 0.061 -19.517 -3.697 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.967 -19.941 -3.128 1.00 0.00 O ATOM 355 OE2 GLU A 26 0.865 -20.257 -4.300 1.00 0.00 O ATOM 0 H GLU A 26 -2.377 -15.687 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.321 -15.201 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.603 -17.209 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.274 -17.649 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.206 -17.807 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.616 -17.745 -2.634 1.00 0.00 H new ATOM 362 N LYS A 27 1.892 -15.253 -4.590 1.00 0.00 N ATOM 363 CA LYS A 27 3.188 -15.155 -5.250 1.00 0.00 C ATOM 364 C LYS A 27 3.102 -14.271 -6.490 1.00 0.00 C ATOM 365 O LYS A 27 3.619 -14.622 -7.550 1.00 0.00 O ATOM 366 CB LYS A 27 3.692 -16.547 -5.638 1.00 0.00 C ATOM 367 CG LYS A 27 4.144 -17.383 -4.452 1.00 0.00 C ATOM 368 CD LYS A 27 4.829 -18.663 -4.900 1.00 0.00 C ATOM 369 CE LYS A 27 6.298 -18.428 -5.215 1.00 0.00 C ATOM 370 NZ LYS A 27 6.857 -19.500 -6.084 1.00 0.00 N ATOM 0 H LYS A 27 1.895 -14.964 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 27 3.890 -14.702 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.899 -17.078 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.523 -16.442 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.828 -16.800 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.283 -17.629 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.740 -19.418 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.325 -19.057 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.414 -17.463 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.866 -18.381 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.860 -19.304 -6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.770 -20.418 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.332 -19.528 -6.981 1.00 0.00 H new ATOM 384 N GLN A 28 2.447 -13.123 -6.348 1.00 0.00 N ATOM 385 CA GLN A 28 2.295 -12.189 -7.458 1.00 0.00 C ATOM 386 C GLN A 28 2.847 -10.816 -7.092 1.00 0.00 C ATOM 387 O GLN A 28 2.867 -10.433 -5.922 1.00 0.00 O ATOM 388 CB GLN A 28 0.822 -12.071 -7.854 1.00 0.00 C ATOM 389 CG GLN A 28 0.597 -11.276 -9.130 1.00 0.00 C ATOM 390 CD GLN A 28 -0.755 -10.591 -9.160 1.00 0.00 C ATOM 391 OE1 GLN A 28 -1.186 -9.999 -8.170 1.00 0.00 O ATOM 392 NE2 GLN A 28 -1.433 -10.669 -10.299 1.00 0.00 N ATOM 0 H GLN A 28 2.014 -12.818 -5.477 1.00 0.00 H new ATOM 0 HA GLN A 28 2.862 -12.574 -8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.407 -13.071 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.272 -11.599 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.382 -10.526 -9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.682 -11.942 -9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.038 -11.170 -11.095 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.349 -10.228 -10.378 1.00 0.00 H new ATOM 401 N THR A 29 3.296 -10.076 -8.102 1.00 0.00 N ATOM 402 CA THR A 29 3.851 -8.746 -7.887 1.00 0.00 C ATOM 403 C THR A 29 2.777 -7.673 -8.030 1.00 0.00 C ATOM 404 O THR A 29 2.289 -7.412 -9.129 1.00 0.00 O ATOM 405 CB THR A 29 4.993 -8.447 -8.876 1.00 0.00 C ATOM 406 OG1 THR A 29 5.930 -9.530 -8.885 1.00 0.00 O ATOM 407 CG2 THR A 29 5.707 -7.156 -8.504 1.00 0.00 C ATOM 0 H THR A 29 3.286 -10.376 -9.077 1.00 0.00 H new ATOM 0 HA THR A 29 4.246 -8.729 -6.871 1.00 0.00 H new ATOM 0 HB THR A 29 4.562 -8.332 -9.870 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.652 -9.333 -9.518 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.509 -6.966 -9.217 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.998 -6.329 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.126 -7.248 -7.502 1.00 0.00 H new ATOM 415 N ALA A 30 2.414 -7.054 -6.911 1.00 0.00 N ATOM 416 CA ALA A 30 1.399 -6.007 -6.913 1.00 0.00 C ATOM 417 C ALA A 30 2.006 -4.654 -6.553 1.00 0.00 C ATOM 418 O ALA A 30 2.600 -4.494 -5.487 1.00 0.00 O ATOM 419 CB ALA A 30 0.277 -6.358 -5.947 1.00 0.00 C ATOM 0 H ALA A 30 2.807 -7.259 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 30 0.988 -5.935 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.474 -5.568 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.182 -7.299 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.682 -6.459 -4.940 1.00 0.00 H new ATOM 425 N SER A 31 1.852 -3.685 -7.450 1.00 0.00 N ATOM 426 CA SER A 31 2.388 -2.347 -7.228 1.00 0.00 C ATOM 427 C SER A 31 1.323 -1.286 -7.485 1.00 0.00 C ATOM 428 O SER A 31 0.406 -1.489 -8.281 1.00 0.00 O ATOM 429 CB SER A 31 3.596 -2.103 -8.135 1.00 0.00 C ATOM 430 OG SER A 31 3.189 -1.834 -9.465 1.00 0.00 O ATOM 0 H SER A 31 1.361 -3.801 -8.336 1.00 0.00 H new ATOM 0 HA SER A 31 2.703 -2.276 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.178 -1.264 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.248 -2.976 -8.120 1.00 0.00 H new ATOM 0 HG SER A 31 3.979 -1.680 -10.024 1.00 0.00 H new ATOM 436 N PHE A 32 1.450 -0.152 -6.803 1.00 0.00 N ATOM 437 CA PHE A 32 0.499 0.943 -6.955 1.00 0.00 C ATOM 438 C PHE A 32 1.187 2.291 -6.770 1.00 0.00 C ATOM 439 O PHE A 32 2.352 2.359 -6.375 1.00 0.00 O ATOM 440 CB PHE A 32 -0.643 0.798 -5.946 1.00 0.00 C ATOM 441 CG PHE A 32 -0.180 0.423 -4.567 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.200 -0.877 -4.279 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.126 1.372 -3.559 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.626 -1.225 -3.011 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.299 1.031 -2.289 1.00 0.00 C ATOM 446 CZ PHE A 32 0.675 -0.270 -2.015 1.00 0.00 C ATOM 0 H PHE A 32 2.203 0.032 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 32 0.091 0.899 -7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.192 1.738 -5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.340 0.041 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.163 -1.628 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.419 2.390 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.920 -2.242 -2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.337 1.780 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.007 -0.540 -1.023 1.00 0.00 H new ATOM 456 N THR A 33 0.459 3.366 -7.058 1.00 0.00 N ATOM 457 CA THR A 33 0.999 4.713 -6.926 1.00 0.00 C ATOM 458 C THR A 33 0.304 5.476 -5.804 1.00 0.00 C ATOM 459 O THR A 33 -0.925 5.507 -5.729 1.00 0.00 O ATOM 460 CB THR A 33 0.853 5.508 -8.238 1.00 0.00 C ATOM 461 OG1 THR A 33 1.623 4.887 -9.274 1.00 0.00 O ATOM 462 CG2 THR A 33 1.310 6.947 -8.052 1.00 0.00 C ATOM 0 H THR A 33 -0.507 3.329 -7.384 1.00 0.00 H new ATOM 0 HA THR A 33 2.058 4.607 -6.689 1.00 0.00 H new ATOM 0 HB THR A 33 -0.200 5.512 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.524 5.397 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.198 7.489 -8.991 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.703 7.425 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.357 6.960 -7.749 1.00 0.00 H new ATOM 470 N LEU A 34 1.098 6.090 -4.934 1.00 0.00 N ATOM 471 CA LEU A 34 0.558 6.855 -3.814 1.00 0.00 C ATOM 472 C LEU A 34 0.602 8.352 -4.106 1.00 0.00 C ATOM 473 O LEU A 34 1.674 8.958 -4.137 1.00 0.00 O ATOM 474 CB LEU A 34 1.343 6.549 -2.537 1.00 0.00 C ATOM 475 CG LEU A 34 1.029 7.432 -1.329 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.401 7.211 -0.863 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.010 7.157 -0.198 1.00 0.00 C ATOM 0 H LEU A 34 2.117 6.074 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.482 6.562 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.158 5.511 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.407 6.636 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 34 1.134 8.475 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.606 7.848 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.089 7.460 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.535 6.167 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.772 7.794 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.938 6.111 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.024 7.368 -0.537 1.00 0.00 H new ATOM 489 N LEU A 35 -0.569 8.942 -4.316 1.00 0.00 N ATOM 490 CA LEU A 35 -0.665 10.369 -4.603 1.00 0.00 C ATOM 491 C LEU A 35 -0.657 11.185 -3.314 1.00 0.00 C ATOM 492 O LEU A 35 -1.235 10.778 -2.306 1.00 0.00 O ATOM 493 CB LEU A 35 -1.938 10.665 -5.399 1.00 0.00 C ATOM 494 CG LEU A 35 -2.013 10.051 -6.797 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.438 10.100 -7.326 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.064 10.768 -7.746 1.00 0.00 C ATOM 0 H LEU A 35 -1.465 8.455 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 35 0.203 10.654 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.793 10.312 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.041 11.746 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.708 9.007 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.472 9.659 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.093 9.540 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.772 11.136 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.131 10.318 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.338 11.821 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.043 10.679 -7.375 1.00 0.00 H new ATOM 508 N CYS A 36 0.000 12.339 -3.355 1.00 0.00 N ATOM 509 CA CYS A 36 0.082 13.214 -2.191 1.00 0.00 C ATOM 510 C CYS A 36 -0.709 14.498 -2.418 1.00 0.00 C ATOM 511 O CYS A 36 -0.525 15.183 -3.424 1.00 0.00 O ATOM 512 CB CYS A 36 1.542 13.548 -1.880 1.00 0.00 C ATOM 513 SG CYS A 36 2.514 12.140 -1.296 1.00 0.00 S ATOM 0 H CYS A 36 0.484 12.690 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.352 12.688 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.010 13.951 -2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.571 14.334 -1.125 1.00 0.00 H new ATOM 0 HG CYS A 36 3.734 12.522 -1.062 1.00 0.00 H new ATOM 519 N LYS A 37 -1.591 14.818 -1.477 1.00 0.00 N ATOM 520 CA LYS A 37 -2.412 16.019 -1.574 1.00 0.00 C ATOM 521 C LYS A 37 -2.147 16.954 -0.398 1.00 0.00 C ATOM 522 O LYS A 37 -1.356 16.640 0.492 1.00 0.00 O ATOM 523 CB LYS A 37 -3.895 15.646 -1.618 1.00 0.00 C ATOM 524 CG LYS A 37 -4.388 15.273 -3.005 1.00 0.00 C ATOM 525 CD LYS A 37 -4.206 13.790 -3.282 1.00 0.00 C ATOM 526 CE LYS A 37 -4.314 13.483 -4.768 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.713 13.608 -5.261 1.00 0.00 N ATOM 0 H LYS A 37 -1.756 14.262 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.147 16.537 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.071 14.809 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.483 16.485 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.442 15.535 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.847 15.853 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.233 13.467 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.959 13.222 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.670 14.162 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.951 12.473 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.758 13.309 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.338 13.004 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.022 14.598 -5.182 1.00 0.00 H new ATOM 541 N ASP A 38 -2.813 18.104 -0.401 1.00 0.00 N ATOM 542 CA ASP A 38 -2.651 19.084 0.666 1.00 0.00 C ATOM 543 C ASP A 38 -3.820 19.020 1.644 1.00 0.00 C ATOM 544 O ASP A 38 -4.691 18.158 1.531 1.00 0.00 O ATOM 545 CB ASP A 38 -2.536 20.492 0.081 1.00 0.00 C ATOM 546 CG ASP A 38 -1.548 20.563 -1.067 1.00 0.00 C ATOM 547 OD1 ASP A 38 -0.346 20.782 -0.804 1.00 0.00 O ATOM 548 OD2 ASP A 38 -1.976 20.399 -2.228 1.00 0.00 O ATOM 0 H ASP A 38 -3.470 18.380 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.735 18.848 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.516 20.819 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.228 21.184 0.865 1.00 0.00 H new ATOM 553 N ALA A 39 -3.832 19.939 2.605 1.00 0.00 N ATOM 554 CA ALA A 39 -4.894 19.988 3.602 1.00 0.00 C ATOM 555 C ALA A 39 -6.254 20.207 2.946 1.00 0.00 C ATOM 556 O ALA A 39 -7.276 19.736 3.442 1.00 0.00 O ATOM 557 CB ALA A 39 -4.614 21.084 4.618 1.00 0.00 C ATOM 0 H ALA A 39 -3.118 20.659 2.714 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.919 19.028 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.415 21.109 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.666 20.883 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.559 22.046 4.109 1.00 0.00 H new ATOM 563 N ALA A 40 -6.257 20.925 1.828 1.00 0.00 N ATOM 564 CA ALA A 40 -7.490 21.205 1.103 1.00 0.00 C ATOM 565 C ALA A 40 -7.813 20.089 0.116 1.00 0.00 C ATOM 566 O ALA A 40 -8.702 20.226 -0.723 1.00 0.00 O ATOM 567 CB ALA A 40 -7.385 22.539 0.378 1.00 0.00 C ATOM 0 H ALA A 40 -5.419 21.323 1.405 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.303 21.260 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.313 22.735 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.210 23.334 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.557 22.504 -0.330 1.00 0.00 H new ATOM 573 N GLY A 41 -7.084 18.982 0.222 1.00 0.00 N ATOM 574 CA GLY A 41 -7.307 17.858 -0.668 1.00 0.00 C ATOM 575 C GLY A 41 -7.041 18.206 -2.119 1.00 0.00 C ATOM 576 O GLY A 41 -7.752 17.748 -3.013 1.00 0.00 O ATOM 0 H GLY A 41 -6.343 18.844 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.662 17.031 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.336 17.514 -0.563 1.00 0.00 H new ATOM 580 N GLU A 42 -6.016 19.019 -2.353 1.00 0.00 N ATOM 581 CA GLU A 42 -5.660 19.430 -3.706 1.00 0.00 C ATOM 582 C GLU A 42 -4.275 18.913 -4.085 1.00 0.00 C ATOM 583 O GLU A 42 -3.436 18.664 -3.219 1.00 0.00 O ATOM 584 CB GLU A 42 -5.699 20.954 -3.827 1.00 0.00 C ATOM 585 CG GLU A 42 -4.616 21.656 -3.025 1.00 0.00 C ATOM 586 CD GLU A 42 -5.041 23.033 -2.551 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.262 23.280 -2.462 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.152 23.863 -2.270 1.00 0.00 O ATOM 0 H GLU A 42 -5.418 19.406 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.389 19.000 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.598 21.229 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.674 21.312 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.354 21.044 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.718 21.747 -3.636 1.00 0.00 H new ATOM 595 N ILE A 43 -4.044 18.756 -5.384 1.00 0.00 N ATOM 596 CA ILE A 43 -2.761 18.270 -5.877 1.00 0.00 C ATOM 597 C ILE A 43 -1.638 19.243 -5.538 1.00 0.00 C ATOM 598 O ILE A 43 -1.731 20.438 -5.821 1.00 0.00 O ATOM 599 CB ILE A 43 -2.792 18.049 -7.401 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.951 17.126 -7.782 1.00 0.00 C ATOM 601 CG2 ILE A 43 -1.468 17.470 -7.879 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.764 15.698 -7.320 1.00 0.00 C ATOM 0 H ILE A 43 -4.728 18.958 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.573 17.317 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.944 19.012 -7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.873 17.519 -7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.072 17.136 -8.865 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.505 17.319 -8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.660 18.161 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.289 16.515 -7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.624 15.101 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.859 15.286 -7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.674 15.676 -6.234 1.00 0.00 H new ATOM 614 N MET A 44 -0.575 18.724 -4.932 1.00 0.00 N ATOM 615 CA MET A 44 0.569 19.547 -4.558 1.00 0.00 C ATOM 616 C MET A 44 1.726 19.347 -5.532 1.00 0.00 C ATOM 617 O MET A 44 2.521 20.256 -5.761 1.00 0.00 O ATOM 618 CB MET A 44 1.021 19.213 -3.135 1.00 0.00 C ATOM 619 CG MET A 44 1.517 17.785 -2.975 1.00 0.00 C ATOM 620 SD MET A 44 2.661 17.598 -1.594 1.00 0.00 S ATOM 621 CE MET A 44 1.596 18.009 -0.214 1.00 0.00 C ATOM 0 H MET A 44 -0.482 17.738 -4.690 1.00 0.00 H new ATOM 0 HA MET A 44 0.261 20.592 -4.598 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.816 19.900 -2.844 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.190 19.379 -2.450 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.664 17.123 -2.827 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.010 17.470 -3.895 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.193 18.437 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.847 18.733 -0.535 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.099 17.107 0.143 1.00 0.00 H new ATOM 631 N GLY A 45 1.812 18.149 -6.102 1.00 0.00 N ATOM 632 CA GLY A 45 2.875 17.851 -7.044 1.00 0.00 C ATOM 633 C GLY A 45 4.253 18.009 -6.432 1.00 0.00 C ATOM 634 O GLY A 45 5.151 18.583 -7.049 1.00 0.00 O ATOM 0 H GLY A 45 1.165 17.380 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.758 16.831 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.787 18.510 -7.907 1.00 0.00 H new ATOM 638 N ARG A 46 4.421 17.501 -5.216 1.00 0.00 N ATOM 639 CA ARG A 46 5.699 17.592 -4.520 1.00 0.00 C ATOM 640 C ARG A 46 5.991 16.308 -3.750 1.00 0.00 C ATOM 641 O ARG A 46 5.108 15.473 -3.556 1.00 0.00 O ATOM 642 CB ARG A 46 5.698 18.785 -3.561 1.00 0.00 C ATOM 643 CG ARG A 46 5.428 20.115 -4.245 1.00 0.00 C ATOM 644 CD ARG A 46 5.016 21.183 -3.243 1.00 0.00 C ATOM 645 NE ARG A 46 4.967 22.511 -3.848 1.00 0.00 N ATOM 646 CZ ARG A 46 5.065 23.639 -3.154 1.00 0.00 C ATOM 647 NH1 ARG A 46 5.218 23.600 -1.837 1.00 0.00 N ATOM 648 NH2 ARG A 46 5.011 24.810 -3.776 1.00 0.00 N ATOM 0 H ARG A 46 3.688 17.022 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 46 6.481 17.734 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.943 18.622 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.662 18.835 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.322 20.440 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.641 19.990 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.037 20.936 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.719 21.190 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 46 4.851 22.576 -4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.261 22.702 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.293 24.468 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.894 24.845 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.086 25.675 -3.241 1.00 0.00 H new ATOM 662 N GLY A 47 7.238 16.156 -3.313 1.00 0.00 N ATOM 663 CA GLY A 47 7.624 14.971 -2.570 1.00 0.00 C ATOM 664 C GLY A 47 8.109 15.296 -1.171 1.00 0.00 C ATOM 665 O GLY A 47 7.549 16.159 -0.497 1.00 0.00 O ATOM 0 H GLY A 47 7.987 16.832 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.774 14.292 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.411 14.447 -3.112 1.00 0.00 H new ATOM 669 N GLY A 48 9.154 14.600 -0.732 1.00 0.00 N ATOM 670 CA GLY A 48 9.695 14.833 0.594 1.00 0.00 C ATOM 671 C GLY A 48 8.705 14.496 1.692 1.00 0.00 C ATOM 672 O GLY A 48 8.240 15.381 2.411 1.00 0.00 O ATOM 0 H GLY A 48 9.635 13.880 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.596 14.234 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.991 15.878 0.684 1.00 0.00 H new ATOM 676 N ASP A 49 8.380 13.215 1.820 1.00 0.00 N ATOM 677 CA ASP A 49 7.437 12.763 2.838 1.00 0.00 C ATOM 678 C ASP A 49 7.844 11.400 3.388 1.00 0.00 C ATOM 679 O ASP A 49 8.476 10.603 2.695 1.00 0.00 O ATOM 680 CB ASP A 49 6.024 12.692 2.258 1.00 0.00 C ATOM 681 CG ASP A 49 5.518 14.046 1.799 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.722 15.035 2.533 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.916 14.115 0.707 1.00 0.00 O ATOM 0 H ASP A 49 8.755 12.471 1.232 1.00 0.00 H new ATOM 0 HA ASP A 49 7.450 13.483 3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.014 11.999 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.345 12.290 3.010 1.00 0.00 H new ATOM 688 N ASN A 50 7.477 11.138 4.638 1.00 0.00 N ATOM 689 CA ASN A 50 7.805 9.872 5.282 1.00 0.00 C ATOM 690 C ASN A 50 6.667 8.869 5.121 1.00 0.00 C ATOM 691 O ASN A 50 5.686 8.902 5.865 1.00 0.00 O ATOM 692 CB ASN A 50 8.099 10.092 6.768 1.00 0.00 C ATOM 693 CG ASN A 50 8.341 8.791 7.508 1.00 0.00 C ATOM 694 OD1 ASN A 50 9.479 8.339 7.638 1.00 0.00 O ATOM 695 ND2 ASN A 50 7.268 8.182 7.999 1.00 0.00 N ATOM 0 H ASN A 50 6.952 11.786 5.225 1.00 0.00 H new ATOM 0 HA ASN A 50 8.694 9.467 4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.974 10.734 6.871 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.262 10.618 7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.368 7.304 8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.344 8.593 7.868 1.00 0.00 H new ATOM 702 N VAL A 51 6.805 7.977 4.145 1.00 0.00 N ATOM 703 CA VAL A 51 5.789 6.963 3.887 1.00 0.00 C ATOM 704 C VAL A 51 6.198 5.616 4.471 1.00 0.00 C ATOM 705 O VAL A 51 7.311 5.143 4.247 1.00 0.00 O ATOM 706 CB VAL A 51 5.532 6.799 2.377 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.489 5.720 2.128 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.099 8.122 1.764 1.00 0.00 C ATOM 0 H VAL A 51 7.610 7.936 3.520 1.00 0.00 H new ATOM 0 HA VAL A 51 4.872 7.302 4.370 1.00 0.00 H new ATOM 0 HB VAL A 51 6.461 6.490 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.320 5.618 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.843 4.771 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.555 5.997 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.922 7.988 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.182 8.463 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.883 8.865 1.911 1.00 0.00 H new ATOM 718 N GLN A 52 5.288 5.002 5.222 1.00 0.00 N ATOM 719 CA GLN A 52 5.554 3.708 5.839 1.00 0.00 C ATOM 720 C GLN A 52 4.690 2.619 5.213 1.00 0.00 C ATOM 721 O GLN A 52 3.462 2.703 5.225 1.00 0.00 O ATOM 722 CB GLN A 52 5.298 3.776 7.346 1.00 0.00 C ATOM 723 CG GLN A 52 6.374 4.529 8.112 1.00 0.00 C ATOM 724 CD GLN A 52 7.554 3.649 8.476 1.00 0.00 C ATOM 725 OE1 GLN A 52 7.391 2.470 8.790 1.00 0.00 O ATOM 726 NE2 GLN A 52 8.753 4.220 8.436 1.00 0.00 N ATOM 0 H GLN A 52 4.361 5.380 5.417 1.00 0.00 H new ATOM 0 HA GLN A 52 6.601 3.459 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.335 4.256 7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.225 2.762 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.723 5.368 7.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.942 4.947 9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.842 5.201 8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.584 3.678 8.671 1.00 0.00 H new ATOM 735 N VAL A 53 5.339 1.596 4.666 1.00 0.00 N ATOM 736 CA VAL A 53 4.630 0.489 4.036 1.00 0.00 C ATOM 737 C VAL A 53 5.022 -0.843 4.665 1.00 0.00 C ATOM 738 O VAL A 53 6.200 -1.108 4.899 1.00 0.00 O ATOM 739 CB VAL A 53 4.910 0.432 2.522 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.197 -0.754 1.891 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.493 1.733 1.854 1.00 0.00 C ATOM 0 H VAL A 53 6.355 1.511 4.647 1.00 0.00 H new ATOM 0 HA VAL A 53 3.566 0.663 4.195 1.00 0.00 H new ATOM 0 HB VAL A 53 5.982 0.301 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.407 -0.778 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.550 -1.677 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.123 -0.658 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.698 1.675 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.427 1.897 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.055 2.561 2.287 1.00 0.00 H new ATOM 751 N ALA A 54 4.024 -1.679 4.935 1.00 0.00 N ATOM 752 CA ALA A 54 4.264 -2.986 5.535 1.00 0.00 C ATOM 753 C ALA A 54 3.040 -3.885 5.400 1.00 0.00 C ATOM 754 O ALA A 54 1.918 -3.471 5.693 1.00 0.00 O ATOM 755 CB ALA A 54 4.651 -2.833 6.998 1.00 0.00 C ATOM 0 H ALA A 54 3.042 -1.474 4.748 1.00 0.00 H new ATOM 0 HA ALA A 54 5.089 -3.457 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.827 -3.817 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.559 -2.235 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.844 -2.337 7.538 1.00 0.00 H new ATOM 761 N VAL A 55 3.262 -5.118 4.955 1.00 0.00 N ATOM 762 CA VAL A 55 2.177 -6.076 4.782 1.00 0.00 C ATOM 763 C VAL A 55 2.291 -7.222 5.781 1.00 0.00 C ATOM 764 O VAL A 55 3.387 -7.708 6.061 1.00 0.00 O ATOM 765 CB VAL A 55 2.160 -6.653 3.355 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.855 -7.388 3.091 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.377 -5.549 2.331 1.00 0.00 C ATOM 0 H VAL A 55 4.184 -5.477 4.708 1.00 0.00 H new ATOM 0 HA VAL A 55 1.247 -5.536 4.958 1.00 0.00 H new ATOM 0 HB VAL A 55 2.977 -7.369 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.862 -7.789 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.747 -8.206 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.019 -6.697 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.362 -5.975 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.584 -4.807 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.341 -5.073 2.508 1.00 0.00 H new ATOM 777 N VAL A 56 1.152 -7.650 6.315 1.00 0.00 N ATOM 778 CA VAL A 56 1.123 -8.740 7.282 1.00 0.00 C ATOM 779 C VAL A 56 -0.114 -9.611 7.092 1.00 0.00 C ATOM 780 O VAL A 56 -1.248 -9.130 7.087 1.00 0.00 O ATOM 781 CB VAL A 56 1.146 -8.209 8.728 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.157 -9.362 9.720 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.346 -7.299 8.942 1.00 0.00 C ATOM 0 H VAL A 56 0.237 -7.258 6.094 1.00 0.00 H new ATOM 0 HA VAL A 56 2.016 -9.340 7.109 1.00 0.00 H new ATOM 0 HB VAL A 56 0.241 -7.625 8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.173 -8.968 10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.263 -9.970 9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.043 -9.976 9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.347 -6.933 9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.264 -7.857 8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.289 -6.454 8.256 1.00 0.00 H new ATOM 793 N PRO A 57 0.106 -10.924 6.932 1.00 0.00 N ATOM 794 CA PRO A 57 -0.980 -11.891 6.740 1.00 0.00 C ATOM 795 C PRO A 57 -1.814 -12.084 8.001 1.00 0.00 C ATOM 796 O PRO A 57 -1.281 -12.370 9.073 1.00 0.00 O ATOM 797 CB PRO A 57 -0.243 -13.184 6.382 1.00 0.00 C ATOM 798 CG PRO A 57 1.106 -13.034 6.995 1.00 0.00 C ATOM 799 CD PRO A 57 1.430 -11.567 6.928 1.00 0.00 C ATOM 0 HA PRO A 57 -1.689 -11.563 5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.762 -14.058 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.175 -13.315 5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.108 -13.387 8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.848 -13.623 6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.033 -11.250 7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.993 -11.321 6.028 1.00 0.00 H new ATOM 807 N LYS A 58 -3.127 -11.927 7.866 1.00 0.00 N ATOM 808 CA LYS A 58 -4.036 -12.087 8.995 1.00 0.00 C ATOM 809 C LYS A 58 -3.804 -13.420 9.697 1.00 0.00 C ATOM 810 O LYS A 58 -3.900 -13.513 10.921 1.00 0.00 O ATOM 811 CB LYS A 58 -5.489 -11.993 8.522 1.00 0.00 C ATOM 812 CG LYS A 58 -5.910 -10.589 8.124 1.00 0.00 C ATOM 813 CD LYS A 58 -6.552 -9.849 9.286 1.00 0.00 C ATOM 814 CE LYS A 58 -6.832 -8.396 8.935 1.00 0.00 C ATOM 815 NZ LYS A 58 -7.157 -7.587 10.142 1.00 0.00 N ATOM 0 H LYS A 58 -3.585 -11.689 6.986 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.838 -11.284 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.629 -12.660 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.145 -12.348 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.040 -10.033 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.612 -10.641 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.483 -10.343 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.896 -9.895 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.963 -7.969 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.662 -8.346 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.341 -6.603 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.002 -7.979 10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.355 -7.614 10.804 1.00 0.00 H new ATOM 829 N ASP A 59 -3.497 -14.450 8.916 1.00 0.00 N ATOM 830 CA ASP A 59 -3.248 -15.778 9.463 1.00 0.00 C ATOM 831 C ASP A 59 -1.999 -15.779 10.339 1.00 0.00 C ATOM 832 O ASP A 59 -2.085 -15.891 11.562 1.00 0.00 O ATOM 833 CB ASP A 59 -3.095 -16.798 8.334 1.00 0.00 C ATOM 834 CG ASP A 59 -3.537 -18.189 8.746 1.00 0.00 C ATOM 835 OD1 ASP A 59 -4.512 -18.296 9.520 1.00 0.00 O ATOM 836 OD2 ASP A 59 -2.908 -19.169 8.297 1.00 0.00 O ATOM 0 H ASP A 59 -3.415 -14.390 7.901 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.103 -16.056 10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.681 -16.474 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.053 -16.830 8.016 1.00 0.00 H new ATOM 841 N LYS A 60 -0.838 -15.656 9.705 1.00 0.00 N ATOM 842 CA LYS A 60 0.430 -15.643 10.425 1.00 0.00 C ATOM 843 C LYS A 60 0.754 -14.241 10.930 1.00 0.00 C ATOM 844 O LYS A 60 0.667 -13.265 10.184 1.00 0.00 O ATOM 845 CB LYS A 60 1.559 -16.144 9.521 1.00 0.00 C ATOM 846 CG LYS A 60 1.234 -17.445 8.806 1.00 0.00 C ATOM 847 CD LYS A 60 1.478 -18.648 9.701 1.00 0.00 C ATOM 848 CE LYS A 60 2.954 -19.011 9.758 1.00 0.00 C ATOM 849 NZ LYS A 60 3.459 -19.487 8.441 1.00 0.00 N ATOM 0 H LYS A 60 -0.749 -15.564 8.693 1.00 0.00 H new ATOM 0 HA LYS A 60 0.338 -16.308 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.786 -15.378 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.458 -16.284 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.192 -17.434 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.844 -17.529 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.116 -18.434 10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.907 -19.500 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.530 -18.142 10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.109 -19.787 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.315 -20.060 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.729 -20.065 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.686 -18.669 7.840 1.00 0.00 H new ATOM 863 N LYS A 61 1.130 -14.147 12.201 1.00 0.00 N ATOM 864 CA LYS A 61 1.471 -12.865 12.806 1.00 0.00 C ATOM 865 C LYS A 61 2.963 -12.580 12.673 1.00 0.00 C ATOM 866 O LYS A 61 3.384 -11.423 12.643 1.00 0.00 O ATOM 867 CB LYS A 61 1.067 -12.851 14.282 1.00 0.00 C ATOM 868 CG LYS A 61 1.922 -11.932 15.138 1.00 0.00 C ATOM 869 CD LYS A 61 1.141 -11.388 16.322 1.00 0.00 C ATOM 870 CE LYS A 61 1.030 -12.417 17.437 1.00 0.00 C ATOM 871 NZ LYS A 61 -0.036 -12.064 18.414 1.00 0.00 N ATOM 0 H LYS A 61 1.206 -14.944 12.833 1.00 0.00 H new ATOM 0 HA LYS A 61 0.922 -12.085 12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.025 -12.542 14.362 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.130 -13.865 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.796 -12.476 15.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.288 -11.104 14.531 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.631 -10.491 16.701 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.143 -11.093 15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.819 -13.396 17.007 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.986 -12.495 17.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.080 -12.790 19.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.178 -11.141 18.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.952 -12.014 17.925 1.00 0.00 H new ATOM 885 N ASP A 62 3.759 -13.640 12.593 1.00 0.00 N ATOM 886 CA ASP A 62 5.205 -13.504 12.461 1.00 0.00 C ATOM 887 C ASP A 62 5.614 -13.461 10.992 1.00 0.00 C ATOM 888 O ASP A 62 6.259 -12.513 10.544 1.00 0.00 O ATOM 889 CB ASP A 62 5.914 -14.659 13.168 1.00 0.00 C ATOM 890 CG ASP A 62 6.084 -14.412 14.654 1.00 0.00 C ATOM 891 OD1 ASP A 62 5.216 -13.737 15.246 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.086 -14.892 15.226 1.00 0.00 O ATOM 0 H ASP A 62 3.427 -14.604 12.617 1.00 0.00 H new ATOM 0 HA ASP A 62 5.502 -12.566 12.930 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.345 -15.577 13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.893 -14.813 12.714 1.00 0.00 H new ATOM 897 N SER A 63 5.237 -14.496 10.248 1.00 0.00 N ATOM 898 CA SER A 63 5.569 -14.579 8.830 1.00 0.00 C ATOM 899 C SER A 63 5.457 -13.211 8.165 1.00 0.00 C ATOM 900 O SER A 63 4.369 -12.744 7.827 1.00 0.00 O ATOM 901 CB SER A 63 4.649 -15.578 8.127 1.00 0.00 C ATOM 902 OG SER A 63 5.167 -15.945 6.860 1.00 0.00 O ATOM 0 H SER A 63 4.702 -15.288 10.603 1.00 0.00 H new ATOM 0 HA SER A 63 6.600 -14.922 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.531 -16.467 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.658 -15.141 8.005 1.00 0.00 H new ATOM 0 HG SER A 63 4.561 -16.586 6.432 1.00 0.00 H new ATOM 908 N PRO A 64 6.609 -12.552 7.971 1.00 0.00 N ATOM 909 CA PRO A 64 6.668 -11.228 7.344 1.00 0.00 C ATOM 910 C PRO A 64 6.332 -11.275 5.858 1.00 0.00 C ATOM 911 O PRO A 64 6.174 -12.351 5.280 1.00 0.00 O ATOM 912 CB PRO A 64 8.124 -10.803 7.550 1.00 0.00 C ATOM 913 CG PRO A 64 8.878 -12.081 7.677 1.00 0.00 C ATOM 914 CD PRO A 64 7.943 -13.048 8.349 1.00 0.00 C ATOM 0 HA PRO A 64 5.943 -10.539 7.777 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.486 -10.212 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.234 -10.188 8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.186 -12.451 6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.785 -11.942 8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.105 -14.069 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.078 -13.052 9.431 1.00 0.00 H new ATOM 922 N VAL A 65 6.223 -10.102 5.243 1.00 0.00 N ATOM 923 CA VAL A 65 5.907 -10.010 3.822 1.00 0.00 C ATOM 924 C VAL A 65 6.896 -9.104 3.097 1.00 0.00 C ATOM 925 O VAL A 65 7.062 -7.937 3.454 1.00 0.00 O ATOM 926 CB VAL A 65 4.480 -9.476 3.599 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.198 -9.312 2.113 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.459 -10.401 4.244 1.00 0.00 C ATOM 0 H VAL A 65 6.349 -9.202 5.706 1.00 0.00 H new ATOM 0 HA VAL A 65 5.978 -11.019 3.415 1.00 0.00 H new ATOM 0 HB VAL A 65 4.399 -8.497 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.185 -8.934 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.910 -8.608 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.296 -10.277 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.456 -10.009 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.538 -11.395 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.650 -10.463 5.315 1.00 0.00 H new ATOM 938 N ARG A 66 7.550 -9.648 2.076 1.00 0.00 N ATOM 939 CA ARG A 66 8.524 -8.890 1.300 1.00 0.00 C ATOM 940 C ARG A 66 7.891 -7.629 0.718 1.00 0.00 C ATOM 941 O ARG A 66 7.022 -7.701 -0.151 1.00 0.00 O ATOM 942 CB ARG A 66 9.095 -9.753 0.174 1.00 0.00 C ATOM 943 CG ARG A 66 10.345 -10.521 0.570 1.00 0.00 C ATOM 944 CD ARG A 66 11.603 -9.705 0.319 1.00 0.00 C ATOM 945 NE ARG A 66 11.968 -8.890 1.475 1.00 0.00 N ATOM 946 CZ ARG A 66 12.637 -9.359 2.522 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.014 -10.629 2.558 1.00 0.00 N ATOM 948 NH2 ARG A 66 12.932 -8.555 3.536 1.00 0.00 N ATOM 0 H ARG A 66 7.423 -10.612 1.767 1.00 0.00 H new ATOM 0 HA ARG A 66 9.334 -8.596 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.333 -10.460 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.325 -9.116 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.289 -10.790 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.395 -11.452 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.427 -10.375 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.449 -9.059 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 66 11.694 -7.907 1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.790 -11.250 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.528 -10.986 3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.645 -7.577 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.446 -8.916 4.340 1.00 0.00 H new ATOM 962 N THR A 67 8.333 -6.473 1.204 1.00 0.00 N ATOM 963 CA THR A 67 7.809 -5.197 0.734 1.00 0.00 C ATOM 964 C THR A 67 8.937 -4.260 0.315 1.00 0.00 C ATOM 965 O THR A 67 9.975 -4.192 0.973 1.00 0.00 O ATOM 966 CB THR A 67 6.958 -4.505 1.815 1.00 0.00 C ATOM 967 OG1 THR A 67 7.636 -4.551 3.076 1.00 0.00 O ATOM 968 CG2 THR A 67 5.597 -5.173 1.942 1.00 0.00 C ATOM 0 H THR A 67 9.052 -6.395 1.923 1.00 0.00 H new ATOM 0 HA THR A 67 7.180 -5.414 -0.129 1.00 0.00 H new ATOM 0 HB THR A 67 6.810 -3.466 1.520 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.089 -4.107 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.014 -4.667 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.071 -5.112 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.730 -6.219 2.217 1.00 0.00 H new ATOM 976 N MET A 68 8.726 -3.540 -0.781 1.00 0.00 N ATOM 977 CA MET A 68 9.726 -2.606 -1.286 1.00 0.00 C ATOM 978 C MET A 68 9.088 -1.266 -1.639 1.00 0.00 C ATOM 979 O MET A 68 8.020 -1.217 -2.250 1.00 0.00 O ATOM 980 CB MET A 68 10.427 -3.189 -2.513 1.00 0.00 C ATOM 981 CG MET A 68 11.865 -2.721 -2.672 1.00 0.00 C ATOM 982 SD MET A 68 12.948 -3.353 -1.376 1.00 0.00 S ATOM 983 CE MET A 68 13.805 -4.656 -2.258 1.00 0.00 C ATOM 0 H MET A 68 7.872 -3.585 -1.337 1.00 0.00 H new ATOM 0 HA MET A 68 10.463 -2.442 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.413 -4.277 -2.446 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.864 -2.917 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.242 -3.041 -3.643 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.892 -1.631 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.513 -5.144 -1.588 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.082 -5.388 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.342 -4.230 -3.105 1.00 0.00 H new ATOM 993 N VAL A 69 9.749 -0.180 -1.251 1.00 0.00 N ATOM 994 CA VAL A 69 9.247 1.161 -1.527 1.00 0.00 C ATOM 995 C VAL A 69 10.338 2.045 -2.121 1.00 0.00 C ATOM 996 O VAL A 69 11.364 2.291 -1.487 1.00 0.00 O ATOM 997 CB VAL A 69 8.698 1.829 -0.253 1.00 0.00 C ATOM 998 CG1 VAL A 69 9.657 1.628 0.911 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.443 3.309 -0.495 1.00 0.00 C ATOM 0 H VAL A 69 10.634 -0.203 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 69 8.437 1.053 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 69 7.749 1.358 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.252 2.107 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.784 0.562 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.623 2.071 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.055 3.765 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.376 3.798 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.715 3.426 -1.298 1.00 0.00 H new ATOM 1009 N GLN A 70 10.109 2.518 -3.342 1.00 0.00 N ATOM 1010 CA GLN A 70 11.074 3.375 -4.021 1.00 0.00 C ATOM 1011 C GLN A 70 10.716 4.847 -3.842 1.00 0.00 C ATOM 1012 O GLN A 70 9.758 5.340 -4.438 1.00 0.00 O ATOM 1013 CB GLN A 70 11.134 3.030 -5.510 1.00 0.00 C ATOM 1014 CG GLN A 70 12.473 3.348 -6.155 1.00 0.00 C ATOM 1015 CD GLN A 70 12.413 3.319 -7.670 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.335 3.230 -8.258 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.574 3.393 -8.310 1.00 0.00 N ATOM 0 H GLN A 70 9.265 2.323 -3.881 1.00 0.00 H new ATOM 0 HA GLN A 70 12.053 3.202 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.922 1.968 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.349 3.577 -6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.805 4.333 -5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.217 2.630 -5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.444 3.466 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.596 3.377 -9.330 1.00 0.00 H new ATOM 1026 N ASP A 71 11.491 5.542 -3.017 1.00 0.00 N ATOM 1027 CA ASP A 71 11.256 6.959 -2.760 1.00 0.00 C ATOM 1028 C ASP A 71 11.603 7.798 -3.985 1.00 0.00 C ATOM 1029 O ASP A 71 12.764 7.885 -4.382 1.00 0.00 O ATOM 1030 CB ASP A 71 12.080 7.424 -1.558 1.00 0.00 C ATOM 1031 CG ASP A 71 13.463 6.804 -1.530 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.615 5.718 -0.932 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.395 7.406 -2.104 1.00 0.00 O ATOM 0 H ASP A 71 12.287 5.148 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 71 10.197 7.092 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.172 8.510 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.552 7.170 -0.639 1.00 0.00 H new ATOM 1038 N ASN A 72 10.586 8.415 -4.580 1.00 0.00 N ATOM 1039 CA ASN A 72 10.783 9.247 -5.762 1.00 0.00 C ATOM 1040 C ASN A 72 10.665 10.727 -5.411 1.00 0.00 C ATOM 1041 O ASN A 72 11.061 11.595 -6.190 1.00 0.00 O ATOM 1042 CB ASN A 72 9.763 8.884 -6.842 1.00 0.00 C ATOM 1043 CG ASN A 72 9.657 7.387 -7.058 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.664 6.679 -7.081 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.433 6.897 -7.219 1.00 0.00 N ATOM 0 H ASN A 72 9.618 8.354 -4.263 1.00 0.00 H new ATOM 0 HA ASN A 72 11.787 9.062 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.786 9.278 -6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.044 9.364 -7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.300 5.897 -7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.626 7.521 -7.193 1.00 0.00 H new ATOM 1052 N LYS A 73 10.119 11.008 -4.233 1.00 0.00 N ATOM 1053 CA LYS A 73 9.949 12.382 -3.776 1.00 0.00 C ATOM 1054 C LYS A 73 9.714 13.322 -4.954 1.00 0.00 C ATOM 1055 O LYS A 73 10.298 14.404 -5.024 1.00 0.00 O ATOM 1056 CB LYS A 73 11.180 12.834 -2.987 1.00 0.00 C ATOM 1057 CG LYS A 73 12.493 12.358 -3.583 1.00 0.00 C ATOM 1058 CD LYS A 73 12.824 10.942 -3.143 1.00 0.00 C ATOM 1059 CE LYS A 73 14.310 10.647 -3.283 1.00 0.00 C ATOM 1060 NZ LYS A 73 15.108 11.296 -2.206 1.00 0.00 N ATOM 0 H LYS A 73 9.786 10.302 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 73 9.075 12.417 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.188 13.923 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.101 12.466 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.436 12.398 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.296 13.031 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.520 10.802 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.253 10.231 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.471 9.569 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.660 10.996 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.080 10.926 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.127 12.324 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.676 11.092 -1.282 1.00 0.00 H new ATOM 1074 N ASP A 74 8.855 12.903 -5.877 1.00 0.00 N ATOM 1075 CA ASP A 74 8.540 13.709 -7.051 1.00 0.00 C ATOM 1076 C ASP A 74 7.032 13.859 -7.219 1.00 0.00 C ATOM 1077 O ASP A 74 6.545 14.162 -8.307 1.00 0.00 O ATOM 1078 CB ASP A 74 9.146 13.078 -8.306 1.00 0.00 C ATOM 1079 CG ASP A 74 9.217 14.052 -9.466 1.00 0.00 C ATOM 1080 OD1 ASP A 74 9.731 15.173 -9.270 1.00 0.00 O ATOM 1081 OD2 ASP A 74 8.759 13.692 -10.571 1.00 0.00 O ATOM 0 H ASP A 74 8.364 12.010 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 74 8.971 14.700 -6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.148 12.714 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.551 12.212 -8.598 1.00 0.00 H new ATOM 1086 N GLY A 75 6.296 13.645 -6.132 1.00 0.00 N ATOM 1087 CA GLY A 75 4.850 13.759 -6.181 1.00 0.00 C ATOM 1088 C GLY A 75 4.155 12.432 -5.949 1.00 0.00 C ATOM 1089 O GLY A 75 3.144 12.365 -5.250 1.00 0.00 O ATOM 0 H GLY A 75 6.675 13.395 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.520 14.475 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.553 14.156 -7.151 1.00 0.00 H new ATOM 1093 N THR A 76 4.697 11.371 -6.540 1.00 0.00 N ATOM 1094 CA THR A 76 4.121 10.040 -6.397 1.00 0.00 C ATOM 1095 C THR A 76 5.188 9.016 -6.031 1.00 0.00 C ATOM 1096 O THR A 76 6.337 9.120 -6.463 1.00 0.00 O ATOM 1097 CB THR A 76 3.417 9.591 -7.692 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.351 9.576 -8.778 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.257 10.517 -8.026 1.00 0.00 C ATOM 0 H THR A 76 5.534 11.408 -7.122 1.00 0.00 H new ATOM 0 HA THR A 76 3.386 10.098 -5.594 1.00 0.00 H new ATOM 0 HB THR A 76 3.025 8.586 -7.537 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.896 9.288 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.775 10.180 -8.944 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.534 10.503 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.630 11.532 -8.163 1.00 0.00 H new ATOM 1107 N TYR A 77 4.803 8.026 -5.233 1.00 0.00 N ATOM 1108 CA TYR A 77 5.728 6.983 -4.808 1.00 0.00 C ATOM 1109 C TYR A 77 5.446 5.673 -5.538 1.00 0.00 C ATOM 1110 O TYR A 77 4.416 5.526 -6.196 1.00 0.00 O ATOM 1111 CB TYR A 77 5.628 6.769 -3.296 1.00 0.00 C ATOM 1112 CG TYR A 77 6.270 7.871 -2.485 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.568 9.029 -2.172 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.578 7.756 -2.032 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.150 10.040 -1.431 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.168 8.761 -1.289 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.450 9.900 -0.992 1.00 0.00 C ATOM 1118 OH TYR A 77 8.035 10.904 -0.254 1.00 0.00 O ATOM 0 H TYR A 77 3.856 7.924 -4.868 1.00 0.00 H new ATOM 0 HA TYR A 77 6.739 7.306 -5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.577 6.689 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.098 5.820 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.550 9.141 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.144 6.866 -2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.591 10.934 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.186 8.655 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 77 8.080 10.634 0.687 1.00 0.00 H new ATOM 1128 N TYR A 78 6.369 4.725 -5.416 1.00 0.00 N ATOM 1129 CA TYR A 78 6.222 3.428 -6.065 1.00 0.00 C ATOM 1130 C TYR A 78 6.378 2.294 -5.056 1.00 0.00 C ATOM 1131 O TYR A 78 7.493 1.936 -4.675 1.00 0.00 O ATOM 1132 CB TYR A 78 7.253 3.275 -7.185 1.00 0.00 C ATOM 1133 CG TYR A 78 6.839 2.294 -8.258 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.589 2.378 -8.859 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.698 1.283 -8.672 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.206 1.483 -9.840 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.324 0.385 -9.653 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.077 0.489 -10.234 1.00 0.00 C ATOM 1139 OH TYR A 78 5.701 -0.404 -11.210 1.00 0.00 O ATOM 0 H TYR A 78 7.226 4.831 -4.874 1.00 0.00 H new ATOM 0 HA TYR A 78 5.221 3.375 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.428 4.249 -7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.200 2.951 -6.754 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.905 3.156 -8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.675 1.198 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.230 1.562 -10.296 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.004 -0.394 -9.963 1.00 0.00 H new ATOM 0 HH TYR A 78 6.430 -1.039 -11.371 1.00 0.00 H new ATOM 1149 N ILE A 79 5.252 1.732 -4.629 1.00 0.00 N ATOM 1150 CA ILE A 79 5.263 0.637 -3.667 1.00 0.00 C ATOM 1151 C ILE A 79 4.974 -0.696 -4.348 1.00 0.00 C ATOM 1152 O ILE A 79 4.074 -0.797 -5.182 1.00 0.00 O ATOM 1153 CB ILE A 79 4.230 0.862 -2.547 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.501 2.188 -1.832 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.260 -0.294 -1.559 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.269 2.798 -1.203 1.00 0.00 C ATOM 0 H ILE A 79 4.321 2.017 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 79 6.261 0.611 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 79 3.237 0.908 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.252 2.028 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.924 2.896 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.525 -0.120 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.024 -1.223 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.253 -0.368 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.536 3.735 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.524 2.991 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.858 2.109 -0.466 1.00 0.00 H new ATOM 1168 N SER A 80 5.743 -1.718 -3.986 1.00 0.00 N ATOM 1169 CA SER A 80 5.571 -3.046 -4.563 1.00 0.00 C ATOM 1170 C SER A 80 5.620 -4.120 -3.481 1.00 0.00 C ATOM 1171 O SER A 80 6.434 -4.053 -2.560 1.00 0.00 O ATOM 1172 CB SER A 80 6.653 -3.313 -5.611 1.00 0.00 C ATOM 1173 OG SER A 80 6.243 -2.869 -6.893 1.00 0.00 O ATOM 0 H SER A 80 6.491 -1.652 -3.296 1.00 0.00 H new ATOM 0 HA SER A 80 4.593 -3.083 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.574 -2.805 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.874 -4.380 -5.646 1.00 0.00 H new ATOM 0 HG SER A 80 6.953 -3.050 -7.544 1.00 0.00 H new ATOM 1179 N TYR A 81 4.741 -5.110 -3.598 1.00 0.00 N ATOM 1180 CA TYR A 81 4.681 -6.197 -2.629 1.00 0.00 C ATOM 1181 C TYR A 81 4.279 -7.506 -3.303 1.00 0.00 C ATOM 1182 O TYR A 81 3.584 -7.507 -4.320 1.00 0.00 O ATOM 1183 CB TYR A 81 3.691 -5.860 -1.513 1.00 0.00 C ATOM 1184 CG TYR A 81 2.244 -5.926 -1.947 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.610 -7.148 -2.135 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.511 -4.767 -2.170 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.289 -7.213 -2.532 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.189 -4.823 -2.565 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.418 -6.048 -2.745 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.735 -6.108 -3.140 1.00 0.00 O ATOM 0 H TYR A 81 4.061 -5.181 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 81 5.675 -6.321 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.844 -6.549 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.904 -4.858 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.160 -8.062 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.983 -3.806 -2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.188 -8.171 -2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.367 -3.912 -2.732 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.087 -5.199 -3.245 1.00 0.00 H new ATOM 1200 N THR A 82 4.720 -8.620 -2.727 1.00 0.00 N ATOM 1201 CA THR A 82 4.407 -9.936 -3.270 1.00 0.00 C ATOM 1202 C THR A 82 4.125 -10.938 -2.156 1.00 0.00 C ATOM 1203 O THR A 82 5.011 -11.316 -1.390 1.00 0.00 O ATOM 1204 CB THR A 82 5.556 -10.470 -4.146 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.828 -9.551 -5.211 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.208 -11.834 -4.723 1.00 0.00 C ATOM 0 H THR A 82 5.295 -8.637 -1.885 1.00 0.00 H new ATOM 0 HA THR A 82 3.515 -9.820 -3.885 1.00 0.00 H new ATOM 0 HB THR A 82 6.443 -10.573 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.561 -9.897 -5.762 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.034 -12.191 -5.338 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.030 -12.538 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.310 -11.752 -5.335 1.00 0.00 H new ATOM 1214 N PRO A 83 2.862 -11.380 -2.063 1.00 0.00 N ATOM 1215 CA PRO A 83 2.434 -12.345 -1.046 1.00 0.00 C ATOM 1216 C PRO A 83 3.007 -13.737 -1.291 1.00 0.00 C ATOM 1217 O PRO A 83 3.177 -14.157 -2.436 1.00 0.00 O ATOM 1218 CB PRO A 83 0.910 -12.361 -1.190 1.00 0.00 C ATOM 1219 CG PRO A 83 0.659 -11.942 -2.598 1.00 0.00 C ATOM 1220 CD PRO A 83 1.754 -10.971 -2.943 1.00 0.00 C ATOM 0 HA PRO A 83 2.778 -12.067 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.504 -13.353 -0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.438 -11.678 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.673 -12.801 -3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.321 -11.476 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.032 -11.035 -3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.451 -9.941 -2.756 1.00 0.00 H new ATOM 1228 N LYS A 84 3.302 -14.449 -0.209 1.00 0.00 N ATOM 1229 CA LYS A 84 3.855 -15.795 -0.305 1.00 0.00 C ATOM 1230 C LYS A 84 2.747 -16.842 -0.246 1.00 0.00 C ATOM 1231 O LYS A 84 2.709 -17.764 -1.060 1.00 0.00 O ATOM 1232 CB LYS A 84 4.861 -16.037 0.822 1.00 0.00 C ATOM 1233 CG LYS A 84 6.251 -15.503 0.521 1.00 0.00 C ATOM 1234 CD LYS A 84 7.212 -15.772 1.667 1.00 0.00 C ATOM 1235 CE LYS A 84 7.911 -17.113 1.505 1.00 0.00 C ATOM 1236 NZ LYS A 84 9.151 -16.997 0.688 1.00 0.00 N ATOM 0 H LYS A 84 3.167 -14.116 0.746 1.00 0.00 H new ATOM 0 HA LYS A 84 4.366 -15.884 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.491 -15.570 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.926 -17.108 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.630 -15.966 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.197 -14.430 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.955 -14.976 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.668 -15.756 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.160 -17.514 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.231 -17.823 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.598 -17.932 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.911 -16.638 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.811 -16.339 1.150 1.00 0.00 H new ATOM 1250 N GLU A 85 1.849 -16.693 0.722 1.00 0.00 N ATOM 1251 CA GLU A 85 0.741 -17.627 0.886 1.00 0.00 C ATOM 1252 C GLU A 85 -0.596 -16.933 0.645 1.00 0.00 C ATOM 1253 O GLU A 85 -0.746 -15.728 0.853 1.00 0.00 O ATOM 1254 CB GLU A 85 0.764 -18.240 2.288 1.00 0.00 C ATOM 1255 CG GLU A 85 1.803 -19.335 2.456 1.00 0.00 C ATOM 1256 CD GLU A 85 1.347 -20.665 1.887 1.00 0.00 C ATOM 1257 OE1 GLU A 85 0.545 -21.352 2.552 1.00 0.00 O ATOM 1258 OE2 GLU A 85 1.793 -21.018 0.775 1.00 0.00 O ATOM 0 H GLU A 85 1.867 -15.935 1.404 1.00 0.00 H new ATOM 0 HA GLU A 85 0.857 -18.421 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.957 -17.453 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.221 -18.648 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.728 -19.032 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.030 -19.456 3.515 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.593 -17.709 0.194 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.936 -17.191 -0.086 1.00 0.00 C ATOM 1267 C PRO A 86 -3.683 -16.800 1.185 1.00 0.00 C ATOM 1268 O PRO A 86 -3.390 -17.304 2.268 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.632 -18.366 -0.776 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.915 -19.575 -0.283 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.486 -19.152 -0.076 1.00 0.00 C ATOM 0 HA PRO A 86 -2.906 -16.283 -0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.691 -18.403 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.567 -18.283 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.354 -19.937 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.981 -20.389 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.026 -19.684 0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.876 -19.352 -0.957 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.650 -15.899 1.044 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.425 -15.457 2.189 1.00 0.00 C ATOM 1281 C GLY A 87 -5.539 -13.948 2.264 1.00 0.00 C ATOM 1282 O GLY A 87 -4.970 -13.233 1.438 1.00 0.00 O ATOM 0 H GLY A 87 -4.911 -15.467 0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.423 -15.892 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.962 -15.829 3.103 1.00 0.00 H new ATOM 1286 N VAL A 88 -6.277 -13.460 3.255 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.465 -12.025 3.435 1.00 0.00 C ATOM 1288 C VAL A 88 -5.262 -11.396 4.128 1.00 0.00 C ATOM 1289 O VAL A 88 -4.827 -11.859 5.183 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.733 -11.723 4.256 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.709 -12.483 5.573 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.867 -10.227 4.496 1.00 0.00 C ATOM 0 H VAL A 88 -6.755 -14.038 3.947 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.574 -11.593 2.440 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.602 -12.056 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.612 -12.258 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.663 -13.554 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.834 -12.183 6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.768 -10.031 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.996 -9.867 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.933 -9.709 3.539 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.728 -10.337 3.529 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.573 -9.645 4.088 1.00 0.00 C ATOM 1304 C TYR A 89 -3.944 -8.232 4.526 1.00 0.00 C ATOM 1305 O TYR A 89 -5.068 -7.776 4.309 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.439 -9.591 3.062 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.674 -10.890 2.937 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.258 -12.009 2.356 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.368 -10.997 3.398 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.564 -13.197 2.239 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.334 -12.181 3.284 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.268 -13.279 2.705 1.00 0.00 C ATOM 1313 OH TYR A 89 0.428 -14.460 2.590 1.00 0.00 O ATOM 0 H TYR A 89 -5.077 -9.939 2.657 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.237 -10.201 4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.853 -9.328 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.747 -8.796 3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.272 -11.949 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.106 -10.140 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.033 -14.057 1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.349 -12.247 3.646 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.181 -15.172 2.301 1.00 0.00 H new ATOM 1323 N THR A 90 -2.991 -7.541 5.143 1.00 0.00 N ATOM 1324 CA THR A 90 -3.216 -6.179 5.613 1.00 0.00 C ATOM 1325 C THR A 90 -2.087 -5.253 5.177 1.00 0.00 C ATOM 1326 O THR A 90 -0.977 -5.320 5.705 1.00 0.00 O ATOM 1327 CB THR A 90 -3.343 -6.128 7.148 1.00 0.00 C ATOM 1328 OG1 THR A 90 -3.977 -7.319 7.627 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.143 -4.911 7.584 1.00 0.00 C ATOM 0 H THR A 90 -2.055 -7.902 5.329 1.00 0.00 H new ATOM 0 HA THR A 90 -4.151 -5.841 5.167 1.00 0.00 H new ATOM 0 HB THR A 90 -2.341 -6.055 7.571 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.924 -7.347 8.605 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.219 -4.896 8.671 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.642 -4.005 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.142 -4.958 7.151 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.377 -4.389 4.210 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.386 -3.447 3.703 1.00 0.00 C ATOM 1339 C VAL A 91 -1.370 -2.167 4.531 1.00 0.00 C ATOM 1340 O VAL A 91 -2.232 -1.302 4.371 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.653 -3.089 2.229 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.537 -2.214 1.681 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.811 -4.351 1.395 1.00 0.00 C ATOM 0 H VAL A 91 -3.291 -4.322 3.762 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.416 -3.938 3.779 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.584 -2.525 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.743 -1.972 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.477 -1.294 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.411 -2.748 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.999 -4.079 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.898 -4.944 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.649 -4.935 1.775 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.386 -2.053 5.415 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.258 -0.877 6.269 1.00 0.00 C ATOM 1355 C TRP A 92 0.343 0.293 5.497 1.00 0.00 C ATOM 1356 O TRP A 92 1.450 0.197 4.969 1.00 0.00 O ATOM 1357 CB TRP A 92 0.608 -1.198 7.488 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.061 -2.116 8.466 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -0.892 -3.160 8.174 1.00 0.00 C ATOM 1360 CD2 TRP A 92 0.043 -2.071 9.893 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.311 -3.767 9.334 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -0.751 -3.118 10.402 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.731 -1.249 10.790 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -0.874 -3.361 11.768 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.606 -1.492 12.145 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.190 -2.541 12.623 1.00 0.00 C ATOM 0 H TRP A 92 0.335 -2.760 5.560 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.255 -0.593 6.605 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.540 -1.653 7.153 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.870 -0.269 7.994 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.178 -3.464 7.178 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -1.937 -4.570 9.390 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.349 -0.439 10.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -1.488 -4.168 12.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 1.131 -0.862 12.848 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.265 -2.706 13.688 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.394 1.397 5.436 1.00 0.00 N ATOM 1378 CA VAL A 93 0.067 2.587 4.730 1.00 0.00 C ATOM 1379 C VAL A 93 -0.167 3.844 5.560 1.00 0.00 C ATOM 1380 O VAL A 93 -1.298 4.318 5.682 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.641 2.742 3.371 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.141 3.984 2.648 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.435 1.499 2.519 1.00 0.00 C ATOM 0 H VAL A 93 -1.313 1.492 5.867 1.00 0.00 H new ATOM 0 HA VAL A 93 1.137 2.461 4.562 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.710 2.860 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.652 4.078 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.345 4.866 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.933 3.900 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.942 1.626 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.631 1.348 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.846 0.632 3.035 1.00 0.00 H new ATOM 1393 N CYS A 94 0.907 4.379 6.129 1.00 0.00 N ATOM 1394 CA CYS A 94 0.819 5.583 6.948 1.00 0.00 C ATOM 1395 C CYS A 94 1.913 6.577 6.573 1.00 0.00 C ATOM 1396 O CYS A 94 3.039 6.188 6.264 1.00 0.00 O ATOM 1397 CB CYS A 94 0.925 5.224 8.431 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.310 4.028 8.992 1.00 0.00 S ATOM 0 H CYS A 94 1.849 3.998 6.039 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.149 6.049 6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.919 4.822 8.626 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.828 6.135 9.022 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.137 3.787 10.258 1.00 0.00 H new ATOM 1404 N ILE A 95 1.572 7.861 6.601 1.00 0.00 N ATOM 1405 CA ILE A 95 2.526 8.911 6.264 1.00 0.00 C ATOM 1406 C ILE A 95 2.777 9.830 7.455 1.00 0.00 C ATOM 1407 O ILE A 95 1.851 10.443 7.987 1.00 0.00 O ATOM 1408 CB ILE A 95 2.034 9.756 5.073 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.035 8.920 3.792 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.905 10.992 4.906 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.408 9.626 2.610 1.00 0.00 C ATOM 0 H ILE A 95 0.643 8.199 6.853 1.00 0.00 H new ATOM 0 HA ILE A 95 3.457 8.415 5.989 1.00 0.00 H new ATOM 0 HB ILE A 95 1.012 10.079 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.062 8.653 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.499 7.989 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.545 11.579 4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.859 11.595 5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.936 10.689 4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.443 8.975 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.371 9.869 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.958 10.544 2.401 1.00 0.00 H new ATOM 1423 N LYS A 96 4.036 9.921 7.869 1.00 0.00 N ATOM 1424 CA LYS A 96 4.412 10.767 8.996 1.00 0.00 C ATOM 1425 C LYS A 96 3.716 10.311 10.274 1.00 0.00 C ATOM 1426 O LYS A 96 3.200 11.128 11.035 1.00 0.00 O ATOM 1427 CB LYS A 96 4.059 12.227 8.704 1.00 0.00 C ATOM 1428 CG LYS A 96 4.987 12.887 7.698 1.00 0.00 C ATOM 1429 CD LYS A 96 4.595 14.333 7.443 1.00 0.00 C ATOM 1430 CE LYS A 96 4.980 14.776 6.040 1.00 0.00 C ATOM 1431 NZ LYS A 96 6.379 15.283 5.982 1.00 0.00 N ATOM 0 H LYS A 96 4.814 9.419 7.441 1.00 0.00 H new ATOM 0 HA LYS A 96 5.489 10.681 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.036 12.277 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.086 12.792 9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.012 12.846 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.963 12.332 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.520 14.449 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.081 14.977 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.869 13.938 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.297 15.557 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.602 15.575 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.479 16.098 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.033 14.530 6.277 1.00 0.00 H new ATOM 1445 N GLU A 97 3.708 9.002 10.504 1.00 0.00 N ATOM 1446 CA GLU A 97 3.076 8.439 11.691 1.00 0.00 C ATOM 1447 C GLU A 97 1.573 8.706 11.686 1.00 0.00 C ATOM 1448 O GLU A 97 0.988 9.031 12.718 1.00 0.00 O ATOM 1449 CB GLU A 97 3.705 9.024 12.957 1.00 0.00 C ATOM 1450 CG GLU A 97 5.183 8.706 13.106 1.00 0.00 C ATOM 1451 CD GLU A 97 5.444 7.225 13.298 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.113 6.699 14.381 1.00 0.00 O ATOM 1453 OE2 GLU A 97 5.981 6.592 12.364 1.00 0.00 O ATOM 0 H GLU A 97 4.132 8.312 9.884 1.00 0.00 H new ATOM 0 HA GLU A 97 3.236 7.361 11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.574 10.106 12.951 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.171 8.643 13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.717 9.054 12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.585 9.255 13.957 1.00 0.00 H new ATOM 1460 N GLN A 98 0.958 8.566 10.516 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.476 8.793 10.376 1.00 0.00 C ATOM 1462 C GLN A 98 -1.065 7.901 9.289 1.00 0.00 C ATOM 1463 O GLN A 98 -0.472 7.730 8.223 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.751 10.263 10.052 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.302 11.221 11.143 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.536 12.674 10.777 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.664 13.080 10.494 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.530 13.465 10.780 1.00 0.00 N ATOM 0 H GLN A 98 1.429 8.297 9.652 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.953 8.542 11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.245 10.522 9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.819 10.395 9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.837 10.992 12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.758 11.067 11.343 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.446 13.086 11.021 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.433 14.452 10.541 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.235 7.334 9.565 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.905 6.459 8.609 1.00 0.00 C ATOM 1479 C HIS A 99 -3.605 7.273 7.525 1.00 0.00 C ATOM 1480 O HIS A 99 -4.515 8.052 7.809 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.917 5.566 9.326 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.814 6.311 10.267 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -5.875 7.082 9.842 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -4.802 6.400 11.617 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -6.478 7.613 10.891 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -5.846 7.215 11.980 1.00 0.00 N ATOM 0 H HIS A 99 -2.739 7.465 10.442 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.149 5.832 8.136 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.529 5.055 8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.381 4.797 9.881 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.151 7.221 8.870 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.102 5.920 12.285 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.341 8.262 10.863 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.173 7.088 6.281 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.759 7.804 5.155 1.00 0.00 C ATOM 1497 C VAL A 100 -5.196 7.359 4.907 1.00 0.00 C ATOM 1498 O VAL A 100 -5.680 6.417 5.534 1.00 0.00 O ATOM 1499 CB VAL A 100 -2.939 7.593 3.868 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.513 8.089 4.056 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -2.953 6.127 3.463 1.00 0.00 C ATOM 0 H VAL A 100 -2.420 6.448 6.028 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.750 8.863 5.414 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.397 8.173 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.949 7.932 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.526 9.152 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.041 7.539 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.369 5.996 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.520 5.525 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.980 5.809 3.285 1.00 0.00 H new ATOM 1511 N GLN A 101 -5.872 8.043 3.990 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.254 7.718 3.659 1.00 0.00 C ATOM 1513 C GLN A 101 -7.374 6.277 3.175 1.00 0.00 C ATOM 1514 O GLN A 101 -6.479 5.760 2.507 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.784 8.674 2.589 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.187 8.336 2.112 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.877 9.513 1.450 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.441 10.657 1.580 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.961 9.237 0.735 1.00 0.00 N ATOM 0 H GLN A 101 -5.485 8.826 3.463 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.852 7.829 4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.779 9.689 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.106 8.662 1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.137 7.506 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.784 7.999 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.287 8.274 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.468 9.988 0.266 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.485 5.633 3.517 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.701 4.257 3.109 1.00 0.00 C ATOM 1530 C GLY A 102 -7.528 3.360 3.452 1.00 0.00 C ATOM 1531 O GLY A 102 -7.056 2.596 2.610 1.00 0.00 O ATOM 0 H GLY A 102 -9.240 6.039 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.600 3.875 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.878 4.223 2.034 1.00 0.00 H new ATOM 1535 N SER A 103 -7.056 3.453 4.691 1.00 0.00 N ATOM 1536 CA SER A 103 -5.927 2.648 5.141 1.00 0.00 C ATOM 1537 C SER A 103 -5.868 2.600 6.665 1.00 0.00 C ATOM 1538 O SER A 103 -6.257 3.541 7.357 1.00 0.00 O ATOM 1539 CB SER A 103 -4.618 3.210 4.585 1.00 0.00 C ATOM 1540 OG SER A 103 -4.326 2.660 3.313 1.00 0.00 O ATOM 0 H SER A 103 -7.438 4.078 5.401 1.00 0.00 H new ATOM 0 HA SER A 103 -6.064 1.633 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.688 4.295 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.803 2.992 5.275 1.00 0.00 H new ATOM 0 HG SER A 103 -5.161 2.508 2.823 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.368 1.477 7.202 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.902 0.350 6.389 1.00 0.00 C ATOM 1548 C PRO A 104 -6.048 -0.376 5.693 1.00 0.00 C ATOM 1549 O PRO A 104 -7.209 -0.239 6.080 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.227 -0.569 7.410 1.00 0.00 C ATOM 1551 CG PRO A 104 -4.887 -0.244 8.706 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.220 1.221 8.645 1.00 0.00 C ATOM 0 HA PRO A 104 -4.241 0.673 5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.363 -1.618 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.153 -0.388 7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.787 -0.843 8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.226 -0.459 9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.137 1.448 9.190 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.430 1.831 9.083 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.715 -1.149 4.665 1.00 0.00 N ATOM 1561 CA PHE A 105 -6.717 -1.897 3.915 1.00 0.00 C ATOM 1562 C PHE A 105 -6.318 -3.364 3.787 1.00 0.00 C ATOM 1563 O PHE A 105 -5.141 -3.711 3.888 1.00 0.00 O ATOM 1564 CB PHE A 105 -6.906 -1.285 2.525 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.686 -1.385 1.655 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.431 -2.536 0.926 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -4.794 -0.329 1.566 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.310 -2.631 0.124 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -3.671 -0.418 0.765 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.428 -1.571 0.044 1.00 0.00 C ATOM 0 H PHE A 105 -4.759 -1.274 4.332 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.659 -1.841 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.739 -1.783 2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.180 -0.236 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.117 -3.368 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.978 0.574 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.124 -3.533 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -2.984 0.413 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.550 -1.643 -0.581 1.00 0.00 H new ATOM 1580 N THR A 106 -7.308 -4.223 3.564 1.00 0.00 N ATOM 1581 CA THR A 106 -7.062 -5.653 3.423 1.00 0.00 C ATOM 1582 C THR A 106 -6.898 -6.042 1.959 1.00 0.00 C ATOM 1583 O THR A 106 -7.345 -5.326 1.062 1.00 0.00 O ATOM 1584 CB THR A 106 -8.204 -6.483 4.039 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.458 -5.827 3.821 1.00 0.00 O ATOM 1586 CG2 THR A 106 -7.984 -6.684 5.531 1.00 0.00 C ATOM 0 H THR A 106 -8.288 -3.953 3.477 1.00 0.00 H new ATOM 0 HA THR A 106 -6.137 -5.868 3.958 1.00 0.00 H new ATOM 0 HB THR A 106 -8.216 -7.460 3.555 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.179 -6.361 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.803 -7.273 5.944 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.043 -7.209 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.948 -5.714 6.027 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.256 -7.181 1.721 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.035 -7.666 0.364 1.00 0.00 C ATOM 1596 C VAL A 107 -6.352 -9.153 0.254 1.00 0.00 C ATOM 1597 O VAL A 107 -5.946 -9.951 1.100 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.582 -7.427 -0.088 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.325 -8.093 -1.431 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.285 -5.936 -0.158 1.00 0.00 C ATOM 0 H VAL A 107 -5.879 -7.786 2.451 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.706 -7.105 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.912 -7.874 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.294 -7.914 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.496 -9.166 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.001 -7.677 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.254 -5.785 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.960 -5.464 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.428 -5.490 0.826 1.00 0.00 H new ATOM 1610 N THR A 108 -7.079 -9.522 -0.796 1.00 0.00 N ATOM 1611 CA THR A 108 -7.451 -10.914 -1.017 1.00 0.00 C ATOM 1612 C THR A 108 -6.450 -11.612 -1.929 1.00 0.00 C ATOM 1613 O THR A 108 -6.463 -11.419 -3.145 1.00 0.00 O ATOM 1614 CB THR A 108 -8.858 -11.028 -1.635 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.826 -10.435 -0.762 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.221 -12.483 -1.889 1.00 0.00 C ATOM 0 H THR A 108 -7.422 -8.876 -1.507 1.00 0.00 H new ATOM 0 HA THR A 108 -7.450 -11.400 -0.041 1.00 0.00 H new ATOM 0 HB THR A 108 -8.856 -10.499 -2.588 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.717 -10.510 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.218 -12.538 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.499 -12.923 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.206 -13.031 -0.947 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.582 -12.425 -1.335 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.574 -13.155 -2.095 1.00 0.00 C ATOM 1626 C VAL A 109 -5.066 -14.550 -2.464 1.00 0.00 C ATOM 1627 O VAL A 109 -5.222 -15.412 -1.599 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.257 -13.278 -1.306 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.208 -14.009 -2.130 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.756 -11.904 -0.888 1.00 0.00 C ATOM 0 H VAL A 109 -5.557 -12.595 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.391 -12.586 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.447 -13.860 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.284 -14.087 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.569 -15.008 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.019 -13.457 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.825 -12.010 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.581 -11.295 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.502 -11.421 -0.257 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.308 -14.764 -3.753 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.783 -16.055 -4.236 1.00 0.00 C ATOM 1642 C ARG A 110 -4.613 -16.985 -4.545 1.00 0.00 C ATOM 1643 O ARG A 110 -3.454 -16.631 -4.329 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.645 -15.870 -5.486 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.777 -14.872 -5.304 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.911 -15.130 -6.283 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.553 -16.420 -6.049 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.224 -17.087 -6.981 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.339 -16.588 -8.204 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.781 -18.256 -6.691 1.00 0.00 N ATOM 0 H ARG A 110 -5.183 -14.061 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.387 -16.508 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.011 -15.541 -6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.065 -16.834 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.155 -14.932 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.397 -13.860 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.652 -14.335 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.525 -15.097 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.482 -16.832 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.912 -15.690 -8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.855 -17.102 -8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.694 -18.643 -5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.296 -18.767 -7.408 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.926 -18.173 -5.050 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.901 -19.154 -5.387 1.00 0.00 C ATOM 1666 C ARG A 111 -3.612 -19.145 -6.885 1.00 0.00 C ATOM 1667 O ARG A 111 -4.498 -19.401 -7.701 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.339 -20.552 -4.949 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.632 -20.661 -3.462 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.644 -21.758 -3.172 1.00 0.00 C ATOM 1671 NE ARG A 111 -7.017 -21.263 -3.218 1.00 0.00 N ATOM 1672 CZ ARG A 111 -7.600 -20.620 -2.212 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -6.934 -20.396 -1.089 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -8.853 -20.200 -2.330 1.00 0.00 N ATOM 0 H ARG A 111 -5.881 -18.480 -5.235 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.988 -18.885 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.231 -20.836 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.558 -21.266 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.707 -20.866 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.012 -19.708 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.524 -22.562 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -5.445 -22.184 -2.189 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.558 -21.419 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.971 -20.717 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.385 -19.902 -0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -9.369 -20.371 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.300 -19.706 -1.558 1.00 0.00 H new