USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 736 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 41 SER OG : rot 161:sc= -3.35! USER MOD Set 1.2: A 69 THR OG1 : rot 93:sc= -0.0866! USER MOD Single : A 17 ASN : amide:sc= -0.141 K(o=-0.14,f=-3.8!) USER MOD Single : A 22 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.7!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0311 F(o=-1.2,f=-0.031) USER MOD Single : A 29 MET CE :methyl -108:sc= -0.116 (180deg=-1.98!) USER MOD Single : A 32 TYR OH : rot 180:sc= -2.48! USER MOD Single : A 33 ASN : amide:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0387 USER MOD Single : A 37 ASN :FLIP amide:sc= -5.67! C(o=-8!,f=-5.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.622 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.47) USER MOD Single : A 56 SER OG : rot -90:sc= 0.258 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.306 (180deg=-0.337) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.449 K(o=-0.45,f=-3.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.12) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.033) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 160:sc= -4.1! USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 150:sc= -0.041 USER MOD Single : A 106 ASN : amide:sc= -1.69! C(o=-1.7!,f=-2.6!) USER MOD Single : A 107 GLN : amide:sc= -4.4! C(o=-4.4!,f=-5.7!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -23:sc= 0.662 USER MOD Single : A 114 LYS NZ :NH3+ 145:sc= -0.13 (180deg=-0.755) USER MOD Single : A 116 GLN : amide:sc= -0.899 X(o=-0.9,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -14.859 -0.008 17.374 1.00 0.00 N ATOM 8 CA ALA A 10 -13.493 0.561 17.200 1.00 0.00 C ATOM 9 C ALA A 10 -12.726 -0.259 16.161 1.00 0.00 C ATOM 10 O ALA A 10 -13.181 -1.302 15.734 1.00 0.00 O ATOM 11 CB ALA A 10 -12.751 0.516 18.536 1.00 0.00 C ATOM 0 HA ALA A 10 -13.569 1.594 16.860 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.751 0.932 18.411 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.298 1.101 19.276 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.674 -0.517 18.875 1.00 0.00 H new ATOM 17 N PRO A 11 -11.578 0.243 15.790 1.00 0.00 N ATOM 18 CA PRO A 11 -10.681 -0.406 14.790 1.00 0.00 C ATOM 19 C PRO A 11 -9.837 -1.496 15.459 1.00 0.00 C ATOM 20 O PRO A 11 -8.997 -1.221 16.290 1.00 0.00 O ATOM 21 CB PRO A 11 -9.804 0.746 14.319 1.00 0.00 C ATOM 22 CG PRO A 11 -9.802 1.792 15.429 1.00 0.00 C ATOM 23 CD PRO A 11 -11.023 1.529 16.318 1.00 0.00 C ATOM 0 HA PRO A 11 -11.217 -0.896 13.977 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.791 0.400 14.114 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.190 1.169 13.392 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.883 1.729 16.012 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.844 2.797 15.008 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.742 1.443 17.368 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.751 2.338 16.248 1.00 0.00 H new ATOM 31 N VAL A 12 -10.053 -2.732 15.098 1.00 0.00 N ATOM 32 CA VAL A 12 -9.262 -3.835 15.711 1.00 0.00 C ATOM 33 C VAL A 12 -8.244 -4.349 14.692 1.00 0.00 C ATOM 34 O VAL A 12 -8.449 -4.230 13.502 1.00 0.00 O ATOM 35 CB VAL A 12 -10.199 -4.974 16.115 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.324 -4.421 16.991 1.00 0.00 C ATOM 37 CG2 VAL A 12 -10.798 -5.614 14.860 1.00 0.00 C ATOM 0 H VAL A 12 -10.743 -3.025 14.406 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.742 -3.465 16.595 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.638 -5.724 16.672 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.993 -5.232 17.280 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.898 -3.966 17.885 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.884 -3.670 16.433 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.466 -6.426 15.149 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.359 -4.864 14.301 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.997 -6.008 14.235 1.00 0.00 H new ATOM 47 N PRO A 13 -7.176 -4.909 15.193 1.00 0.00 N ATOM 48 CA PRO A 13 -6.076 -5.465 14.351 1.00 0.00 C ATOM 49 C PRO A 13 -6.480 -6.830 13.785 1.00 0.00 C ATOM 50 O PRO A 13 -7.058 -7.649 14.472 1.00 0.00 O ATOM 51 CB PRO A 13 -4.921 -5.593 15.333 1.00 0.00 C ATOM 52 CG PRO A 13 -5.527 -5.685 16.728 1.00 0.00 C ATOM 53 CD PRO A 13 -6.927 -5.067 16.660 1.00 0.00 C ATOM 0 HA PRO A 13 -5.828 -4.846 13.489 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.325 -6.478 15.113 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.255 -4.733 15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.581 -6.723 17.055 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.908 -5.155 17.451 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.672 -5.712 17.125 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.967 -4.109 17.178 1.00 0.00 H new ATOM 61 N VAL A 14 -6.185 -7.084 12.538 1.00 0.00 N ATOM 62 CA VAL A 14 -6.557 -8.391 11.940 1.00 0.00 C ATOM 63 C VAL A 14 -5.303 -9.244 11.762 1.00 0.00 C ATOM 64 O VAL A 14 -4.282 -8.780 11.297 1.00 0.00 O ATOM 65 CB VAL A 14 -7.202 -8.163 10.584 1.00 0.00 C ATOM 66 CG1 VAL A 14 -8.095 -9.354 10.233 1.00 0.00 C ATOM 67 CG2 VAL A 14 -8.042 -6.877 10.594 1.00 0.00 C ATOM 0 H VAL A 14 -5.702 -6.441 11.911 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.259 -8.903 12.598 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.415 -8.061 9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.557 -9.188 9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.493 -10.262 10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.872 -9.461 10.990 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.496 -6.731 9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.825 -6.960 11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.402 -6.026 10.828 1.00 0.00 H new ATOM 77 N ASP A 15 -5.375 -10.493 12.128 1.00 0.00 N ATOM 78 CA ASP A 15 -4.187 -11.381 11.980 1.00 0.00 C ATOM 79 C ASP A 15 -3.889 -11.571 10.490 1.00 0.00 C ATOM 80 O ASP A 15 -4.780 -11.809 9.697 1.00 0.00 O ATOM 81 CB ASP A 15 -4.477 -12.746 12.628 1.00 0.00 C ATOM 82 CG ASP A 15 -5.938 -13.134 12.379 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.304 -13.283 11.225 1.00 0.00 O ATOM 84 OD2 ASP A 15 -6.665 -13.274 13.349 1.00 0.00 O ATOM 0 H ASP A 15 -6.204 -10.938 12.523 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.326 -10.929 12.473 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.813 -13.505 12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.280 -12.701 13.699 1.00 0.00 H new ATOM 89 N GLU A 16 -2.645 -11.471 10.099 1.00 0.00 N ATOM 90 CA GLU A 16 -2.304 -11.652 8.659 1.00 0.00 C ATOM 91 C GLU A 16 -2.113 -13.144 8.363 1.00 0.00 C ATOM 92 O GLU A 16 -1.470 -13.516 7.402 1.00 0.00 O ATOM 93 CB GLU A 16 -1.013 -10.884 8.333 1.00 0.00 C ATOM 94 CG GLU A 16 -1.089 -9.479 8.937 1.00 0.00 C ATOM 95 CD GLU A 16 -0.233 -9.422 10.205 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.907 -9.854 10.146 1.00 0.00 O ATOM 97 OE2 GLU A 16 -0.732 -8.949 11.212 1.00 0.00 O ATOM 0 H GLU A 16 -1.855 -11.273 10.712 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.114 -11.264 8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.150 -11.417 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.878 -10.821 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.738 -8.742 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.123 -9.228 9.172 1.00 0.00 H new ATOM 104 N ASN A 17 -2.669 -14.004 9.181 1.00 0.00 N ATOM 105 CA ASN A 17 -2.522 -15.459 8.945 1.00 0.00 C ATOM 106 C ASN A 17 -3.685 -15.955 8.084 1.00 0.00 C ATOM 107 O ASN A 17 -3.547 -16.879 7.308 1.00 0.00 O ATOM 108 CB ASN A 17 -2.543 -16.172 10.292 1.00 0.00 C ATOM 109 CG ASN A 17 -1.452 -15.591 11.194 1.00 0.00 C ATOM 110 OD1 ASN A 17 -1.643 -14.563 11.814 1.00 0.00 O ATOM 111 ND2 ASN A 17 -0.308 -16.208 11.292 1.00 0.00 N ATOM 0 H ASN A 17 -3.219 -13.752 10.003 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.584 -15.663 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.519 -16.055 10.762 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.383 -17.241 10.152 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.427 -15.828 11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.148 -17.071 10.772 1.00 0.00 H new ATOM 118 N ASP A 18 -4.832 -15.347 8.220 1.00 0.00 N ATOM 119 CA ASP A 18 -6.006 -15.780 7.411 1.00 0.00 C ATOM 120 C ASP A 18 -5.707 -15.562 5.925 1.00 0.00 C ATOM 121 O ASP A 18 -5.174 -14.543 5.532 1.00 0.00 O ATOM 122 CB ASP A 18 -7.241 -14.960 7.822 1.00 0.00 C ATOM 123 CG ASP A 18 -7.167 -13.562 7.200 1.00 0.00 C ATOM 124 OD1 ASP A 18 -6.083 -13.005 7.171 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.198 -13.076 6.767 1.00 0.00 O ATOM 0 H ASP A 18 -5.007 -14.569 8.856 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.203 -16.838 7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.150 -15.466 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.292 -14.882 8.908 1.00 0.00 H new ATOM 130 N GLU A 19 -6.048 -16.512 5.096 1.00 0.00 N ATOM 131 CA GLU A 19 -5.783 -16.357 3.637 1.00 0.00 C ATOM 132 C GLU A 19 -6.870 -15.458 3.017 1.00 0.00 C ATOM 133 O GLU A 19 -6.878 -15.209 1.829 1.00 0.00 O ATOM 134 CB GLU A 19 -5.768 -17.758 2.984 1.00 0.00 C ATOM 135 CG GLU A 19 -6.321 -17.708 1.560 1.00 0.00 C ATOM 136 CD GLU A 19 -5.372 -16.910 0.663 1.00 0.00 C ATOM 137 OE1 GLU A 19 -4.291 -16.579 1.121 1.00 0.00 O ATOM 138 OE2 GLU A 19 -5.744 -16.642 -0.468 1.00 0.00 O ATOM 0 H GLU A 19 -6.498 -17.387 5.366 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.816 -15.884 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.749 -18.144 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.361 -18.448 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.440 -18.719 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.309 -17.248 1.560 1.00 0.00 H new ATOM 145 N GLY A 20 -7.776 -14.956 3.815 1.00 0.00 N ATOM 146 CA GLY A 20 -8.840 -14.070 3.266 1.00 0.00 C ATOM 147 C GLY A 20 -8.234 -12.706 2.926 1.00 0.00 C ATOM 148 O GLY A 20 -8.469 -12.157 1.867 1.00 0.00 O ATOM 0 H GLY A 20 -7.824 -15.122 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.279 -14.518 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.644 -13.953 3.993 1.00 0.00 H new ATOM 152 N LEU A 21 -7.454 -12.157 3.815 1.00 0.00 N ATOM 153 CA LEU A 21 -6.829 -10.833 3.545 1.00 0.00 C ATOM 154 C LEU A 21 -5.745 -10.985 2.475 1.00 0.00 C ATOM 155 O LEU A 21 -5.285 -10.016 1.906 1.00 0.00 O ATOM 156 CB LEU A 21 -6.206 -10.306 4.837 1.00 0.00 C ATOM 157 CG LEU A 21 -5.416 -9.032 4.546 1.00 0.00 C ATOM 158 CD1 LEU A 21 -6.373 -7.921 4.110 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.678 -8.603 5.812 1.00 0.00 C ATOM 0 H LEU A 21 -7.222 -12.569 4.719 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.585 -10.134 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.986 -10.102 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.550 -11.061 5.270 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.699 -9.220 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.806 -7.013 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.904 -8.231 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.092 -7.727 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.111 -7.694 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.399 -8.414 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.996 -9.395 6.122 1.00 0.00 H new ATOM 171 N GLN A 22 -5.335 -12.193 2.191 1.00 0.00 N ATOM 172 CA GLN A 22 -4.291 -12.404 1.161 1.00 0.00 C ATOM 173 C GLN A 22 -4.799 -11.896 -0.190 1.00 0.00 C ATOM 174 O GLN A 22 -4.044 -11.740 -1.128 1.00 0.00 O ATOM 175 CB GLN A 22 -3.940 -13.891 1.096 1.00 0.00 C ATOM 176 CG GLN A 22 -2.548 -14.041 0.503 1.00 0.00 C ATOM 177 CD GLN A 22 -1.990 -15.424 0.842 1.00 0.00 C ATOM 178 OE1 GLN A 22 -1.723 -15.722 1.990 1.00 0.00 O ATOM 179 NE2 GLN A 22 -1.800 -16.290 -0.116 1.00 0.00 N ATOM 0 H GLN A 22 -5.684 -13.043 2.634 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.390 -11.848 1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.975 -14.331 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.669 -14.425 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.587 -13.909 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.889 -13.266 0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.024 -16.042 -1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.428 -17.215 0.099 1.00 0.00 H new ATOM 188 N ARG A 23 -6.072 -11.621 -0.291 1.00 0.00 N ATOM 189 CA ARG A 23 -6.620 -11.106 -1.574 1.00 0.00 C ATOM 190 C ARG A 23 -6.328 -9.608 -1.662 1.00 0.00 C ATOM 191 O ARG A 23 -5.958 -9.095 -2.700 1.00 0.00 O ATOM 192 CB ARG A 23 -8.132 -11.343 -1.613 1.00 0.00 C ATOM 193 CG ARG A 23 -8.723 -10.666 -2.850 1.00 0.00 C ATOM 194 CD ARG A 23 -9.215 -11.734 -3.828 1.00 0.00 C ATOM 195 NE ARG A 23 -9.580 -11.093 -5.122 1.00 0.00 N ATOM 196 CZ ARG A 23 -9.153 -11.600 -6.244 1.00 0.00 C ATOM 197 NH1 ARG A 23 -9.529 -12.798 -6.602 1.00 0.00 N ATOM 198 NH2 ARG A 23 -8.348 -10.914 -7.008 1.00 0.00 N ATOM 0 H ARG A 23 -6.753 -11.731 0.460 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.158 -11.623 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.343 -12.412 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.597 -10.945 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.547 -10.014 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.971 -10.038 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.438 -12.482 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.078 -12.254 -3.411 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.164 -10.257 -5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.156 -13.336 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.196 -13.196 -7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.052 -9.979 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.015 -11.313 -7.886 1.00 0.00 H new ATOM 212 N ALA A 24 -6.485 -8.903 -0.574 1.00 0.00 N ATOM 213 CA ALA A 24 -6.208 -7.445 -0.584 1.00 0.00 C ATOM 214 C ALA A 24 -4.756 -7.213 -1.008 1.00 0.00 C ATOM 215 O ALA A 24 -4.390 -6.149 -1.462 1.00 0.00 O ATOM 216 CB ALA A 24 -6.426 -6.872 0.818 1.00 0.00 C ATOM 0 H ALA A 24 -6.794 -9.279 0.322 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.880 -6.950 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.222 -5.801 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.458 -7.042 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.753 -7.364 1.521 1.00 0.00 H new ATOM 222 N LEU A 25 -3.929 -8.213 -0.861 1.00 0.00 N ATOM 223 CA LEU A 25 -2.507 -8.078 -1.245 1.00 0.00 C ATOM 224 C LEU A 25 -2.412 -7.940 -2.769 1.00 0.00 C ATOM 225 O LEU A 25 -1.602 -7.202 -3.285 1.00 0.00 O ATOM 226 CB LEU A 25 -1.768 -9.329 -0.734 1.00 0.00 C ATOM 227 CG LEU A 25 -0.549 -9.652 -1.596 1.00 0.00 C ATOM 228 CD1 LEU A 25 -1.035 -10.334 -2.871 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.219 -8.372 -1.941 1.00 0.00 C ATOM 0 H LEU A 25 -4.188 -9.126 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.050 -7.191 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.453 -9.171 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.449 -10.180 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 25 0.127 -10.311 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.180 -10.574 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.565 -11.251 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.707 -9.665 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.084 -8.621 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.433 -7.693 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.553 -7.889 -1.023 1.00 0.00 H new ATOM 241 N GLN A 26 -3.246 -8.638 -3.491 1.00 0.00 N ATOM 242 CA GLN A 26 -3.205 -8.539 -4.982 1.00 0.00 C ATOM 243 C GLN A 26 -3.626 -7.125 -5.396 1.00 0.00 C ATOM 244 O GLN A 26 -2.970 -6.472 -6.182 1.00 0.00 O ATOM 245 CB GLN A 26 -4.186 -9.573 -5.599 1.00 0.00 C ATOM 246 CG GLN A 26 -3.572 -10.991 -5.632 1.00 0.00 C ATOM 247 CD GLN A 26 -4.265 -11.822 -6.722 1.00 0.00 C ATOM 248 OE1 GLN A 26 -5.371 -11.388 -7.277 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -3.789 -12.883 -7.078 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.953 -9.271 -3.116 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.196 -8.745 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.110 -9.589 -5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.449 -9.266 -6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.502 -10.931 -5.830 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.690 -11.473 -4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.929 -13.225 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.250 -13.430 -7.805 1.00 0.00 H new ATOM 258 N PHE A 27 -4.714 -6.651 -4.865 1.00 0.00 N ATOM 259 CA PHE A 27 -5.190 -5.272 -5.210 1.00 0.00 C ATOM 260 C PHE A 27 -4.023 -4.301 -5.174 1.00 0.00 C ATOM 261 O PHE A 27 -3.846 -3.483 -6.055 1.00 0.00 O ATOM 262 CB PHE A 27 -6.216 -4.790 -4.192 1.00 0.00 C ATOM 263 CG PHE A 27 -7.451 -4.276 -4.895 1.00 0.00 C ATOM 264 CD1 PHE A 27 -7.362 -3.147 -5.721 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.685 -4.910 -4.708 1.00 0.00 C ATOM 266 CE1 PHE A 27 -8.505 -2.656 -6.359 1.00 0.00 C ATOM 267 CE2 PHE A 27 -9.830 -4.413 -5.344 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.737 -3.286 -6.170 1.00 0.00 C ATOM 0 H PHE A 27 -5.302 -7.156 -4.203 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.635 -5.311 -6.204 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.484 -5.606 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.785 -4.001 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.411 -2.656 -5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.754 -5.782 -4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.435 -1.789 -6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.784 -4.899 -5.197 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.619 -2.903 -6.662 1.00 0.00 H new ATOM 278 N ALA A 28 -3.245 -4.370 -4.141 1.00 0.00 N ATOM 279 CA ALA A 28 -2.100 -3.432 -4.008 1.00 0.00 C ATOM 280 C ALA A 28 -0.999 -3.797 -5.006 1.00 0.00 C ATOM 281 O ALA A 28 -0.370 -2.937 -5.589 1.00 0.00 O ATOM 282 CB ALA A 28 -1.562 -3.516 -2.585 1.00 0.00 C ATOM 0 H ALA A 28 -3.350 -5.038 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.432 -2.416 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.721 -2.832 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.348 -3.242 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.232 -4.534 -2.380 1.00 0.00 H new ATOM 288 N MET A 29 -0.756 -5.061 -5.204 1.00 0.00 N ATOM 289 CA MET A 29 0.309 -5.471 -6.160 1.00 0.00 C ATOM 290 C MET A 29 -0.096 -5.095 -7.591 1.00 0.00 C ATOM 291 O MET A 29 0.724 -5.073 -8.486 1.00 0.00 O ATOM 292 CB MET A 29 0.523 -6.984 -6.069 1.00 0.00 C ATOM 293 CG MET A 29 1.926 -7.267 -5.532 1.00 0.00 C ATOM 294 SD MET A 29 2.950 -7.970 -6.849 1.00 0.00 S ATOM 295 CE MET A 29 3.469 -6.406 -7.598 1.00 0.00 C ATOM 0 H MET A 29 -1.248 -5.828 -4.746 1.00 0.00 H new ATOM 0 HA MET A 29 1.235 -4.955 -5.905 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.226 -7.430 -5.414 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.399 -7.440 -7.051 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.376 -6.347 -5.159 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.872 -7.959 -4.691 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.965 -6.276 -8.556 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.207 -5.581 -6.936 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.548 -6.418 -7.754 1.00 0.00 H new ATOM 305 N ALA A 30 -1.350 -4.801 -7.819 1.00 0.00 N ATOM 306 CA ALA A 30 -1.782 -4.433 -9.199 1.00 0.00 C ATOM 307 C ALA A 30 -1.664 -2.917 -9.388 1.00 0.00 C ATOM 308 O ALA A 30 -0.999 -2.448 -10.287 1.00 0.00 O ATOM 309 CB ALA A 30 -3.233 -4.866 -9.413 1.00 0.00 C ATOM 0 H ALA A 30 -2.088 -4.800 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.143 -4.937 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.548 -4.597 -10.421 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.313 -5.945 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.873 -4.365 -8.687 1.00 0.00 H new ATOM 315 N GLU A 31 -2.285 -2.138 -8.545 1.00 0.00 N ATOM 316 CA GLU A 31 -2.162 -0.662 -8.703 1.00 0.00 C ATOM 317 C GLU A 31 -0.674 -0.323 -8.678 1.00 0.00 C ATOM 318 O GLU A 31 -0.218 0.607 -9.313 1.00 0.00 O ATOM 319 CB GLU A 31 -2.877 0.048 -7.551 1.00 0.00 C ATOM 320 CG GLU A 31 -4.219 -0.636 -7.284 1.00 0.00 C ATOM 321 CD GLU A 31 -5.343 0.401 -7.343 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.462 1.172 -6.404 1.00 0.00 O ATOM 323 OE2 GLU A 31 -6.066 0.407 -8.326 1.00 0.00 O ATOM 0 H GLU A 31 -2.863 -2.453 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.616 -0.336 -9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.259 0.022 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.035 1.098 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.393 -1.419 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.205 -1.117 -6.306 1.00 0.00 H new ATOM 330 N TYR A 32 0.081 -1.095 -7.950 1.00 0.00 N ATOM 331 CA TYR A 32 1.560 -0.854 -7.875 1.00 0.00 C ATOM 332 C TYR A 32 2.222 -1.299 -9.183 1.00 0.00 C ATOM 333 O TYR A 32 3.234 -0.768 -9.591 1.00 0.00 O ATOM 334 CB TYR A 32 2.171 -1.653 -6.726 1.00 0.00 C ATOM 335 CG TYR A 32 3.492 -1.029 -6.328 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.550 0.324 -5.965 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.661 -1.803 -6.319 1.00 0.00 C ATOM 338 CE1 TYR A 32 4.770 0.899 -5.594 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.880 -1.227 -5.946 1.00 0.00 C ATOM 340 CZ TYR A 32 5.935 0.124 -5.584 1.00 0.00 C ATOM 341 OH TYR A 32 7.136 0.691 -5.215 1.00 0.00 O ATOM 0 H TYR A 32 -0.256 -1.885 -7.400 1.00 0.00 H new ATOM 0 HA TYR A 32 1.728 0.210 -7.710 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.491 -1.665 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.322 -2.689 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.651 0.923 -5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.620 -2.845 -6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.813 1.942 -5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.779 -1.825 -5.937 1.00 0.00 H new ATOM 0 HH TYR A 32 7.845 0.016 -5.261 1.00 0.00 H new ATOM 351 N ASN A 33 1.667 -2.288 -9.828 1.00 0.00 N ATOM 352 CA ASN A 33 2.277 -2.782 -11.110 1.00 0.00 C ATOM 353 C ASN A 33 2.248 -1.667 -12.159 1.00 0.00 C ATOM 354 O ASN A 33 3.032 -1.665 -13.087 1.00 0.00 O ATOM 355 CB ASN A 33 1.538 -4.035 -11.664 1.00 0.00 C ATOM 356 CG ASN A 33 0.138 -3.663 -12.236 1.00 0.00 C ATOM 357 OD1 ASN A 33 -0.852 -4.195 -11.783 1.00 0.00 O ATOM 358 ND2 ASN A 33 -0.008 -2.801 -13.228 1.00 0.00 N ATOM 0 H ASN A 33 0.823 -2.777 -9.531 1.00 0.00 H new ATOM 0 HA ASN A 33 3.306 -3.070 -10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.140 -4.499 -12.445 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.424 -4.773 -10.870 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.938 -2.598 -13.594 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.809 -2.339 -13.627 1.00 0.00 H new ATOM 365 N ARG A 34 1.352 -0.720 -12.034 1.00 0.00 N ATOM 366 CA ARG A 34 1.296 0.376 -13.048 1.00 0.00 C ATOM 367 C ARG A 34 2.315 1.453 -12.689 1.00 0.00 C ATOM 368 O ARG A 34 2.619 2.323 -13.474 1.00 0.00 O ATOM 369 CB ARG A 34 -0.114 0.982 -13.112 1.00 0.00 C ATOM 370 CG ARG A 34 -0.289 1.700 -14.452 1.00 0.00 C ATOM 371 CD ARG A 34 -1.460 2.679 -14.358 1.00 0.00 C ATOM 372 NE ARG A 34 -2.741 1.929 -14.490 1.00 0.00 N ATOM 373 CZ ARG A 34 -3.794 2.321 -13.830 1.00 0.00 C ATOM 374 NH1 ARG A 34 -4.048 3.596 -13.702 1.00 0.00 N ATOM 375 NH2 ARG A 34 -4.593 1.440 -13.292 1.00 0.00 N ATOM 0 H ARG A 34 0.665 -0.658 -11.283 1.00 0.00 H new ATOM 0 HA ARG A 34 1.535 -0.036 -14.028 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.865 0.200 -13.004 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.261 1.681 -12.289 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.625 2.234 -14.713 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.471 0.974 -15.244 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.431 3.208 -13.405 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.383 3.432 -15.143 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.793 1.110 -15.096 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.422 4.285 -14.119 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.872 3.902 -13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.393 0.444 -13.388 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.417 1.747 -12.775 1.00 0.00 H new ATOM 389 N ALA A 35 2.845 1.401 -11.503 1.00 0.00 N ATOM 390 CA ALA A 35 3.847 2.421 -11.088 1.00 0.00 C ATOM 391 C ALA A 35 5.255 1.994 -11.538 1.00 0.00 C ATOM 392 O ALA A 35 6.184 2.777 -11.502 1.00 0.00 O ATOM 393 CB ALA A 35 3.826 2.559 -9.564 1.00 0.00 C ATOM 0 H ALA A 35 2.628 0.695 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 35 3.597 3.375 -11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.559 3.305 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.833 2.870 -9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.072 1.600 -9.108 1.00 0.00 H new ATOM 399 N SER A 36 5.437 0.755 -11.941 1.00 0.00 N ATOM 400 CA SER A 36 6.795 0.300 -12.360 1.00 0.00 C ATOM 401 C SER A 36 7.078 0.705 -13.805 1.00 0.00 C ATOM 402 O SER A 36 8.134 0.428 -14.338 1.00 0.00 O ATOM 403 CB SER A 36 6.909 -1.224 -12.191 1.00 0.00 C ATOM 404 OG SER A 36 5.632 -1.818 -12.370 1.00 0.00 O ATOM 0 H SER A 36 4.705 0.047 -11.996 1.00 0.00 H new ATOM 0 HA SER A 36 7.539 0.781 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.615 -1.629 -12.916 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.297 -1.463 -11.201 1.00 0.00 H new ATOM 0 HG SER A 36 5.705 -2.789 -12.264 1.00 0.00 H new ATOM 410 N ASN A 37 6.157 1.361 -14.446 1.00 0.00 N ATOM 411 CA ASN A 37 6.404 1.777 -15.857 1.00 0.00 C ATOM 412 C ASN A 37 7.208 3.082 -15.861 1.00 0.00 C ATOM 413 O ASN A 37 7.526 3.624 -16.901 1.00 0.00 O ATOM 414 CB ASN A 37 5.070 1.994 -16.598 1.00 0.00 C ATOM 415 CG ASN A 37 4.033 2.627 -15.667 1.00 0.00 C ATOM 416 OD1 ASN A 37 4.406 3.509 -14.778 1.00 0.00 O flip ATOM 417 ND2 ASN A 37 2.861 2.320 -15.758 1.00 0.00 N flip ATOM 0 H ASN A 37 5.250 1.627 -14.062 1.00 0.00 H new ATOM 0 HA ASN A 37 6.962 0.991 -16.367 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.229 2.636 -17.464 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.697 1.041 -16.972 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.566 1.632 -16.451 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.172 2.750 -15.142 1.00 0.00 H new ATOM 424 N ASP A 38 7.541 3.584 -14.704 1.00 0.00 N ATOM 425 CA ASP A 38 8.318 4.835 -14.615 1.00 0.00 C ATOM 426 C ASP A 38 9.701 4.641 -15.226 1.00 0.00 C ATOM 427 O ASP A 38 9.936 3.739 -16.006 1.00 0.00 O ATOM 428 CB ASP A 38 8.453 5.191 -13.140 1.00 0.00 C ATOM 429 CG ASP A 38 9.315 4.140 -12.437 1.00 0.00 C ATOM 430 OD1 ASP A 38 9.603 3.128 -13.055 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.674 4.365 -11.292 1.00 0.00 O ATOM 0 H ASP A 38 7.299 3.167 -13.805 1.00 0.00 H new ATOM 0 HA ASP A 38 7.813 5.632 -15.160 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.904 6.177 -13.033 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.468 5.239 -12.675 1.00 0.00 H new ATOM 436 N LYS A 39 10.617 5.478 -14.853 1.00 0.00 N ATOM 437 CA LYS A 39 12.015 5.360 -15.377 1.00 0.00 C ATOM 438 C LYS A 39 12.956 5.485 -14.182 1.00 0.00 C ATOM 439 O LYS A 39 13.967 6.157 -14.240 1.00 0.00 O ATOM 440 CB LYS A 39 12.320 6.489 -16.378 1.00 0.00 C ATOM 441 CG LYS A 39 13.735 6.299 -16.926 1.00 0.00 C ATOM 442 CD LYS A 39 13.878 7.044 -18.252 1.00 0.00 C ATOM 443 CE LYS A 39 15.362 7.239 -18.570 1.00 0.00 C ATOM 444 NZ LYS A 39 15.510 8.255 -19.649 1.00 0.00 N ATOM 0 H LYS A 39 10.465 6.249 -14.202 1.00 0.00 H new ATOM 0 HA LYS A 39 12.142 4.407 -15.891 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.596 6.476 -17.193 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.233 7.459 -15.889 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.466 6.671 -16.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.940 5.238 -17.070 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.395 6.482 -19.051 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.377 8.011 -18.194 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.897 7.561 -17.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.805 6.294 -18.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.519 8.387 -19.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.013 7.930 -20.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.102 9.158 -19.334 1.00 0.00 H new ATOM 458 N TYR A 40 12.597 4.886 -13.073 1.00 0.00 N ATOM 459 CA TYR A 40 13.419 5.011 -11.857 1.00 0.00 C ATOM 460 C TYR A 40 13.087 3.822 -10.947 1.00 0.00 C ATOM 461 O TYR A 40 12.794 2.744 -11.423 1.00 0.00 O ATOM 462 CB TYR A 40 13.015 6.345 -11.194 1.00 0.00 C ATOM 463 CG TYR A 40 13.369 7.563 -12.104 1.00 0.00 C ATOM 464 CD1 TYR A 40 14.713 7.991 -12.266 1.00 0.00 C ATOM 465 CD2 TYR A 40 12.355 8.285 -12.792 1.00 0.00 C ATOM 466 CE1 TYR A 40 15.021 9.087 -13.081 1.00 0.00 C ATOM 467 CE2 TYR A 40 12.686 9.377 -13.604 1.00 0.00 C ATOM 468 CZ TYR A 40 14.011 9.775 -13.748 1.00 0.00 C ATOM 469 OH TYR A 40 14.325 10.854 -14.550 1.00 0.00 O ATOM 0 H TYR A 40 11.759 4.313 -12.970 1.00 0.00 H new ATOM 0 HA TYR A 40 14.490 5.007 -12.061 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.945 6.341 -10.988 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.523 6.445 -10.235 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.506 7.466 -11.755 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.322 7.989 -12.687 1.00 0.00 H new ATOM 0 HE1 TYR A 40 16.048 9.401 -13.193 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.906 9.915 -14.123 1.00 0.00 H new ATOM 0 HH TYR A 40 13.505 11.220 -14.942 1.00 0.00 H new ATOM 479 N SER A 41 13.126 3.986 -9.652 1.00 0.00 N ATOM 480 CA SER A 41 12.797 2.804 -8.773 1.00 0.00 C ATOM 481 C SER A 41 11.817 3.208 -7.667 1.00 0.00 C ATOM 482 O SER A 41 11.894 4.288 -7.121 1.00 0.00 O ATOM 483 CB SER A 41 14.087 2.226 -8.139 1.00 0.00 C ATOM 484 OG SER A 41 14.898 3.290 -7.659 1.00 0.00 O ATOM 0 H SER A 41 13.362 4.852 -9.168 1.00 0.00 H new ATOM 0 HA SER A 41 12.331 2.040 -9.395 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.832 1.552 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.636 1.640 -8.876 1.00 0.00 H new ATOM 0 HG SER A 41 15.543 2.942 -7.009 1.00 0.00 H new ATOM 490 N SER A 42 10.898 2.341 -7.323 1.00 0.00 N ATOM 491 CA SER A 42 9.932 2.672 -6.237 1.00 0.00 C ATOM 492 C SER A 42 10.146 1.671 -5.089 1.00 0.00 C ATOM 493 O SER A 42 10.590 0.564 -5.322 1.00 0.00 O ATOM 494 CB SER A 42 8.497 2.554 -6.763 1.00 0.00 C ATOM 495 OG SER A 42 8.419 3.132 -8.058 1.00 0.00 O ATOM 0 H SER A 42 10.777 1.421 -7.747 1.00 0.00 H new ATOM 0 HA SER A 42 10.092 3.692 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.197 1.507 -6.802 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.807 3.058 -6.086 1.00 0.00 H new ATOM 0 HG SER A 42 7.502 3.055 -8.396 1.00 0.00 H new ATOM 501 N ARG A 43 9.851 2.017 -3.855 1.00 0.00 N ATOM 502 CA ARG A 43 10.074 1.026 -2.762 1.00 0.00 C ATOM 503 C ARG A 43 9.538 1.571 -1.432 1.00 0.00 C ATOM 504 O ARG A 43 9.712 2.733 -1.109 1.00 0.00 O ATOM 505 CB ARG A 43 11.578 0.737 -2.632 1.00 0.00 C ATOM 506 CG ARG A 43 12.383 1.971 -3.047 1.00 0.00 C ATOM 507 CD ARG A 43 13.875 1.682 -2.875 1.00 0.00 C ATOM 508 NE ARG A 43 14.083 0.825 -1.675 1.00 0.00 N ATOM 509 CZ ARG A 43 14.776 -0.276 -1.774 1.00 0.00 C ATOM 510 NH1 ARG A 43 14.684 -1.013 -2.847 1.00 0.00 N ATOM 511 NH2 ARG A 43 15.563 -0.639 -0.800 1.00 0.00 N ATOM 0 H ARG A 43 9.475 2.920 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 43 9.543 0.106 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.817 0.465 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.849 -0.113 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.168 2.228 -4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.095 2.829 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.264 1.183 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.427 2.616 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 43 13.684 1.098 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.070 -0.729 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.227 -1.873 -2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.636 -0.062 0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.105 -1.500 -0.876 1.00 0.00 H new ATOM 525 N VAL A 44 8.891 0.739 -0.655 1.00 0.00 N ATOM 526 CA VAL A 44 8.355 1.205 0.651 1.00 0.00 C ATOM 527 C VAL A 44 9.472 1.167 1.697 1.00 0.00 C ATOM 528 O VAL A 44 10.398 0.386 1.607 1.00 0.00 O ATOM 529 CB VAL A 44 7.192 0.289 1.087 1.00 0.00 C ATOM 530 CG1 VAL A 44 7.744 -0.997 1.707 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.327 1.017 2.119 1.00 0.00 C ATOM 0 H VAL A 44 8.713 -0.242 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 44 7.986 2.226 0.555 1.00 0.00 H new ATOM 0 HB VAL A 44 6.590 0.038 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.917 -1.638 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.357 -1.520 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.351 -0.750 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.506 0.370 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.934 1.271 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.925 1.929 1.678 1.00 0.00 H new ATOM 541 N VAL A 45 9.383 2.004 2.691 1.00 0.00 N ATOM 542 CA VAL A 45 10.428 2.022 3.752 1.00 0.00 C ATOM 543 C VAL A 45 9.949 1.168 4.927 1.00 0.00 C ATOM 544 O VAL A 45 10.674 0.345 5.450 1.00 0.00 O ATOM 545 CB VAL A 45 10.654 3.461 4.226 1.00 0.00 C ATOM 546 CG1 VAL A 45 12.029 3.569 4.890 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.587 4.414 3.031 1.00 0.00 C ATOM 0 H VAL A 45 8.629 2.679 2.815 1.00 0.00 H new ATOM 0 HA VAL A 45 11.363 1.624 3.358 1.00 0.00 H new ATOM 0 HB VAL A 45 9.880 3.730 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.191 4.593 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.074 2.894 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.802 3.298 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.748 5.437 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.358 4.146 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.607 4.339 2.560 1.00 0.00 H new ATOM 557 N ARG A 46 8.724 1.358 5.339 1.00 0.00 N ATOM 558 CA ARG A 46 8.178 0.561 6.473 1.00 0.00 C ATOM 559 C ARG A 46 6.648 0.579 6.411 1.00 0.00 C ATOM 560 O ARG A 46 6.053 1.424 5.772 1.00 0.00 O ATOM 561 CB ARG A 46 8.643 1.174 7.798 1.00 0.00 C ATOM 562 CG ARG A 46 8.158 0.305 8.961 1.00 0.00 C ATOM 563 CD ARG A 46 8.574 0.948 10.287 1.00 0.00 C ATOM 564 NE ARG A 46 7.591 2.005 10.655 1.00 0.00 N ATOM 565 CZ ARG A 46 7.985 3.064 11.308 1.00 0.00 C ATOM 566 NH1 ARG A 46 9.065 3.017 12.039 1.00 0.00 N ATOM 567 NH2 ARG A 46 7.297 4.169 11.231 1.00 0.00 N ATOM 0 H ARG A 46 8.076 2.035 4.936 1.00 0.00 H new ATOM 0 HA ARG A 46 8.535 -0.467 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.730 1.248 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.253 2.187 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.074 0.197 8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.581 -0.696 8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.622 0.192 11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.571 1.379 10.198 1.00 0.00 H new ATOM 0 HE ARG A 46 6.610 1.901 10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.602 2.152 12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.372 3.845 12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.452 4.205 10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.604 4.997 11.741 1.00 0.00 H new ATOM 581 N VAL A 47 6.008 -0.338 7.079 1.00 0.00 N ATOM 582 CA VAL A 47 4.515 -0.368 7.069 1.00 0.00 C ATOM 583 C VAL A 47 4.024 -0.111 8.493 1.00 0.00 C ATOM 584 O VAL A 47 4.551 -0.649 9.447 1.00 0.00 O ATOM 585 CB VAL A 47 4.027 -1.740 6.572 1.00 0.00 C ATOM 586 CG1 VAL A 47 2.611 -2.016 7.089 1.00 0.00 C ATOM 587 CG2 VAL A 47 4.006 -1.750 5.039 1.00 0.00 C ATOM 0 H VAL A 47 6.452 -1.070 7.633 1.00 0.00 H new ATOM 0 HA VAL A 47 4.122 0.397 6.399 1.00 0.00 H new ATOM 0 HB VAL A 47 4.704 -2.509 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.276 -2.990 6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.614 -2.012 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.934 -1.243 6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.660 -2.722 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.332 -0.973 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.011 -1.563 4.660 1.00 0.00 H new ATOM 597 N ILE A 48 3.023 0.709 8.649 1.00 0.00 N ATOM 598 CA ILE A 48 2.515 0.994 10.020 1.00 0.00 C ATOM 599 C ILE A 48 1.866 -0.267 10.588 1.00 0.00 C ATOM 600 O ILE A 48 2.061 -0.606 11.736 1.00 0.00 O ATOM 601 CB ILE A 48 1.486 2.125 9.963 1.00 0.00 C ATOM 602 CG1 ILE A 48 2.201 3.453 9.701 1.00 0.00 C ATOM 603 CG2 ILE A 48 0.740 2.204 11.297 1.00 0.00 C ATOM 604 CD1 ILE A 48 3.311 3.647 10.735 1.00 0.00 C ATOM 0 H ILE A 48 2.537 1.191 7.893 1.00 0.00 H new ATOM 0 HA ILE A 48 3.343 1.298 10.661 1.00 0.00 H new ATOM 0 HB ILE A 48 0.776 1.929 9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.621 3.460 8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.490 4.278 9.755 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.007 3.010 11.257 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.231 1.259 11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.450 2.400 12.100 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.820 4.592 10.549 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.878 3.659 11.735 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.026 2.828 10.659 1.00 0.00 H new ATOM 616 N SER A 49 1.108 -0.960 9.772 1.00 0.00 N ATOM 617 CA SER A 49 0.425 -2.222 10.213 1.00 0.00 C ATOM 618 C SER A 49 -0.923 -2.323 9.505 1.00 0.00 C ATOM 619 O SER A 49 -1.353 -1.405 8.836 1.00 0.00 O ATOM 620 CB SER A 49 0.186 -2.233 11.733 1.00 0.00 C ATOM 621 OG SER A 49 -0.713 -3.282 12.059 1.00 0.00 O ATOM 0 H SER A 49 0.930 -0.701 8.802 1.00 0.00 H new ATOM 0 HA SER A 49 1.067 -3.066 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.130 -2.371 12.260 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.222 -1.275 12.055 1.00 0.00 H new ATOM 0 HG SER A 49 -0.866 -3.293 13.027 1.00 0.00 H new ATOM 627 N ALA A 50 -1.598 -3.428 9.647 1.00 0.00 N ATOM 628 CA ALA A 50 -2.922 -3.576 8.984 1.00 0.00 C ATOM 629 C ALA A 50 -4.024 -3.470 10.039 1.00 0.00 C ATOM 630 O ALA A 50 -4.079 -4.246 10.971 1.00 0.00 O ATOM 631 CB ALA A 50 -2.999 -4.939 8.293 1.00 0.00 C ATOM 0 H ALA A 50 -1.291 -4.234 10.192 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.051 -2.790 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.969 -5.047 7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.209 -5.013 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.874 -5.730 9.033 1.00 0.00 H new ATOM 637 N LYS A 51 -4.901 -2.515 9.898 1.00 0.00 N ATOM 638 CA LYS A 51 -6.002 -2.368 10.905 1.00 0.00 C ATOM 639 C LYS A 51 -7.348 -2.626 10.220 1.00 0.00 C ATOM 640 O LYS A 51 -7.445 -2.615 9.011 1.00 0.00 O ATOM 641 CB LYS A 51 -5.965 -0.954 11.516 1.00 0.00 C ATOM 642 CG LYS A 51 -4.688 -0.807 12.348 1.00 0.00 C ATOM 643 CD LYS A 51 -4.444 0.671 12.659 1.00 0.00 C ATOM 644 CE LYS A 51 -3.580 0.787 13.918 1.00 0.00 C ATOM 645 NZ LYS A 51 -2.152 0.960 13.530 1.00 0.00 N ATOM 0 H LYS A 51 -4.908 -1.834 9.139 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.868 -3.092 11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.990 -0.202 10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.843 -0.790 12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.779 -1.374 13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.838 -1.219 11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.948 1.154 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.394 1.185 12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.909 1.634 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.695 -0.105 14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.567 1.039 14.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.842 0.139 12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.049 1.824 12.960 1.00 0.00 H new ATOM 659 N ARG A 52 -8.391 -2.861 10.974 1.00 0.00 N ATOM 660 CA ARG A 52 -9.720 -3.118 10.331 1.00 0.00 C ATOM 661 C ARG A 52 -10.831 -2.477 11.148 1.00 0.00 C ATOM 662 O ARG A 52 -10.689 -2.205 12.323 1.00 0.00 O ATOM 663 CB ARG A 52 -9.994 -4.628 10.195 1.00 0.00 C ATOM 664 CG ARG A 52 -11.331 -4.850 9.484 1.00 0.00 C ATOM 665 CD ARG A 52 -11.656 -6.345 9.466 1.00 0.00 C ATOM 666 NE ARG A 52 -12.784 -6.620 10.402 1.00 0.00 N ATOM 667 CZ ARG A 52 -13.044 -7.845 10.771 1.00 0.00 C ATOM 668 NH1 ARG A 52 -12.482 -8.847 10.152 1.00 0.00 N ATOM 669 NH2 ARG A 52 -13.869 -8.067 11.758 1.00 0.00 N ATOM 0 H ARG A 52 -8.384 -2.887 11.994 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.696 -2.678 9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.190 -5.104 9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.014 -5.094 11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.122 -4.301 9.994 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.282 -4.465 8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.923 -6.658 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.779 -6.922 9.757 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.353 -5.850 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.839 -8.673 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.686 -9.804 10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.310 -7.284 12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.073 -9.024 12.047 1.00 0.00 H new ATOM 683 N GLN A 53 -11.937 -2.240 10.515 1.00 0.00 N ATOM 684 CA GLN A 53 -13.091 -1.619 11.215 1.00 0.00 C ATOM 685 C GLN A 53 -14.389 -2.126 10.581 1.00 0.00 C ATOM 686 O GLN A 53 -14.378 -2.718 9.519 1.00 0.00 O ATOM 687 CB GLN A 53 -13.011 -0.099 11.074 1.00 0.00 C ATOM 688 CG GLN A 53 -13.372 0.558 12.406 1.00 0.00 C ATOM 689 CD GLN A 53 -14.202 1.816 12.145 1.00 0.00 C ATOM 690 OE1 GLN A 53 -13.999 2.499 11.160 1.00 0.00 O ATOM 691 NE2 GLN A 53 -15.137 2.152 12.991 1.00 0.00 N ATOM 0 H GLN A 53 -12.095 -2.452 9.530 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.071 -1.884 12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.006 0.196 10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.691 0.240 10.293 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.934 -0.139 13.027 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.466 0.814 12.955 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.307 1.579 13.817 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.698 2.988 12.826 1.00 0.00 H new ATOM 700 N LEU A 54 -15.507 -1.909 11.219 1.00 0.00 N ATOM 701 CA LEU A 54 -16.792 -2.391 10.639 1.00 0.00 C ATOM 702 C LEU A 54 -17.744 -1.197 10.431 1.00 0.00 C ATOM 703 O LEU A 54 -17.820 -0.318 11.267 1.00 0.00 O ATOM 704 CB LEU A 54 -17.435 -3.388 11.605 1.00 0.00 C ATOM 705 CG LEU A 54 -17.600 -2.731 12.977 1.00 0.00 C ATOM 706 CD1 LEU A 54 -19.062 -2.836 13.419 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.706 -3.443 13.996 1.00 0.00 C ATOM 0 H LEU A 54 -15.586 -1.422 12.112 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.602 -2.874 9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.405 -3.707 11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.816 -4.281 11.689 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.313 -1.681 12.914 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -19.181 -2.368 14.396 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.699 -2.329 12.694 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.349 -3.886 13.482 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.824 -2.975 14.973 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.992 -4.493 14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.665 -3.369 13.681 1.00 0.00 H new ATOM 719 N VAL A 55 -18.480 -1.149 9.338 1.00 0.00 N ATOM 720 CA VAL A 55 -19.412 -0.021 9.107 1.00 0.00 C ATOM 721 C VAL A 55 -20.351 -0.485 8.000 1.00 0.00 C ATOM 722 O VAL A 55 -20.212 -0.052 6.875 1.00 0.00 O ATOM 723 CB VAL A 55 -18.633 1.204 8.620 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.749 1.738 9.748 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.760 0.806 7.430 1.00 0.00 C ATOM 0 H VAL A 55 -18.465 -1.853 8.600 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.946 0.251 10.017 1.00 0.00 H new ATOM 0 HB VAL A 55 -19.334 1.982 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.197 2.610 9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.373 2.021 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.046 0.964 10.057 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.204 1.675 7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.061 0.027 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -18.392 0.431 6.625 1.00 0.00 H new ATOM 735 N SER A 56 -21.251 -1.419 8.288 1.00 0.00 N ATOM 736 CA SER A 56 -22.149 -1.972 7.232 1.00 0.00 C ATOM 737 C SER A 56 -21.484 -3.238 6.696 1.00 0.00 C ATOM 738 O SER A 56 -22.114 -4.253 6.475 1.00 0.00 O ATOM 739 CB SER A 56 -22.313 -0.960 6.117 1.00 0.00 C ATOM 740 OG SER A 56 -23.563 -1.145 5.469 1.00 0.00 O ATOM 0 H SER A 56 -21.392 -1.814 9.218 1.00 0.00 H new ATOM 0 HA SER A 56 -23.137 -2.195 7.636 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.250 0.051 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 56 -21.502 -1.067 5.397 1.00 0.00 H new ATOM 0 HG SER A 56 -23.455 -1.772 4.724 1.00 0.00 H new ATOM 746 N GLY A 57 -20.192 -3.174 6.525 1.00 0.00 N ATOM 747 CA GLY A 57 -19.410 -4.341 6.050 1.00 0.00 C ATOM 748 C GLY A 57 -18.031 -4.238 6.719 1.00 0.00 C ATOM 749 O GLY A 57 -17.926 -3.716 7.817 1.00 0.00 O ATOM 0 H GLY A 57 -19.635 -2.337 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.904 -5.275 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -19.317 -4.331 4.964 1.00 0.00 H new ATOM 753 N ILE A 58 -16.969 -4.686 6.094 1.00 0.00 N ATOM 754 CA ILE A 58 -15.638 -4.544 6.763 1.00 0.00 C ATOM 755 C ILE A 58 -14.766 -3.577 5.966 1.00 0.00 C ATOM 756 O ILE A 58 -14.919 -3.426 4.774 1.00 0.00 O ATOM 757 CB ILE A 58 -14.922 -5.897 6.869 1.00 0.00 C ATOM 758 CG1 ILE A 58 -15.947 -7.034 6.815 1.00 0.00 C ATOM 759 CG2 ILE A 58 -14.160 -5.956 8.196 1.00 0.00 C ATOM 760 CD1 ILE A 58 -15.219 -8.372 6.675 1.00 0.00 C ATOM 0 H ILE A 58 -16.963 -5.131 5.176 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.804 -4.160 7.770 1.00 0.00 H new ATOM 0 HB ILE A 58 -14.226 -6.007 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -16.556 -7.032 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -16.625 -6.887 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.648 -6.915 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.428 -5.149 8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.861 -5.846 9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.949 -9.181 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -14.629 -8.371 5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.559 -8.519 7.530 1.00 0.00 H new ATOM 772 N LYS A 59 -13.849 -2.921 6.617 1.00 0.00 N ATOM 773 CA LYS A 59 -12.964 -1.964 5.896 1.00 0.00 C ATOM 774 C LYS A 59 -11.553 -2.055 6.484 1.00 0.00 C ATOM 775 O LYS A 59 -11.361 -1.922 7.676 1.00 0.00 O ATOM 776 CB LYS A 59 -13.504 -0.542 6.068 1.00 0.00 C ATOM 777 CG LYS A 59 -12.613 0.439 5.303 1.00 0.00 C ATOM 778 CD LYS A 59 -12.969 1.872 5.706 1.00 0.00 C ATOM 779 CE LYS A 59 -14.052 2.413 4.769 1.00 0.00 C ATOM 780 NZ LYS A 59 -15.379 2.330 5.445 1.00 0.00 N ATOM 0 H LYS A 59 -13.673 -3.005 7.618 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.936 -2.210 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.528 -0.483 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.531 -0.277 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.564 0.239 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.747 0.308 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.322 1.894 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.083 2.505 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.833 3.446 4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.067 1.839 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.083 2.862 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.672 1.335 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.308 2.736 6.400 1.00 0.00 H new ATOM 794 N TYR A 60 -10.567 -2.284 5.660 1.00 0.00 N ATOM 795 CA TYR A 60 -9.174 -2.384 6.177 1.00 0.00 C ATOM 796 C TYR A 60 -8.471 -1.047 5.985 1.00 0.00 C ATOM 797 O TYR A 60 -8.888 -0.217 5.201 1.00 0.00 O ATOM 798 CB TYR A 60 -8.423 -3.479 5.418 1.00 0.00 C ATOM 799 CG TYR A 60 -9.046 -4.821 5.720 1.00 0.00 C ATOM 800 CD1 TYR A 60 -10.105 -5.293 4.934 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.566 -5.594 6.785 1.00 0.00 C ATOM 802 CE1 TYR A 60 -10.683 -6.537 5.213 1.00 0.00 C ATOM 803 CE2 TYR A 60 -9.145 -6.838 7.064 1.00 0.00 C ATOM 804 CZ TYR A 60 -10.203 -7.309 6.279 1.00 0.00 C ATOM 805 OH TYR A 60 -10.773 -8.536 6.553 1.00 0.00 O ATOM 0 H TYR A 60 -10.666 -2.406 4.652 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.193 -2.635 7.238 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -8.458 -3.283 4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.372 -3.481 5.707 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.475 -4.697 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.749 -5.230 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.499 -6.902 4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.775 -7.434 7.885 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.322 -8.942 7.323 1.00 0.00 H new ATOM 815 N ILE A 61 -7.410 -0.827 6.703 1.00 0.00 N ATOM 816 CA ILE A 61 -6.682 0.462 6.575 1.00 0.00 C ATOM 817 C ILE A 61 -5.204 0.258 6.910 1.00 0.00 C ATOM 818 O ILE A 61 -4.849 -0.149 8.004 1.00 0.00 O ATOM 819 CB ILE A 61 -7.291 1.478 7.545 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.414 0.838 8.927 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.680 1.897 7.056 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.216 1.905 10.005 1.00 0.00 C ATOM 0 H ILE A 61 -7.014 -1.485 7.374 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.768 0.829 5.552 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.649 2.358 7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.393 0.372 9.037 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.671 0.049 9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.108 2.620 7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.597 2.349 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.326 1.021 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.304 1.447 10.990 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.227 2.350 9.899 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.976 2.679 9.895 1.00 0.00 H new ATOM 834 N LEU A 62 -4.341 0.545 5.977 1.00 0.00 N ATOM 835 CA LEU A 62 -2.885 0.386 6.224 1.00 0.00 C ATOM 836 C LEU A 62 -2.187 1.714 5.918 1.00 0.00 C ATOM 837 O LEU A 62 -2.456 2.342 4.910 1.00 0.00 O ATOM 838 CB LEU A 62 -2.336 -0.747 5.337 1.00 0.00 C ATOM 839 CG LEU A 62 -2.111 -0.279 3.900 1.00 0.00 C ATOM 840 CD1 LEU A 62 -1.049 -1.159 3.236 1.00 0.00 C ATOM 841 CD2 LEU A 62 -3.425 -0.410 3.133 1.00 0.00 C ATOM 0 H LEU A 62 -4.586 0.885 5.047 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.699 0.122 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.397 -1.112 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.034 -1.584 5.342 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.774 0.758 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.889 -0.825 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.115 -1.084 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.386 -2.195 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.280 -0.079 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.747 -1.451 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.187 0.207 3.609 1.00 0.00 H new ATOM 853 N GLN A 63 -1.298 2.146 6.783 1.00 0.00 N ATOM 854 CA GLN A 63 -0.579 3.434 6.554 1.00 0.00 C ATOM 855 C GLN A 63 0.860 3.123 6.189 1.00 0.00 C ATOM 856 O GLN A 63 1.642 2.696 7.008 1.00 0.00 O ATOM 857 CB GLN A 63 -0.608 4.278 7.814 1.00 0.00 C ATOM 858 CG GLN A 63 -0.372 5.747 7.459 1.00 0.00 C ATOM 859 CD GLN A 63 1.009 6.178 7.961 1.00 0.00 C ATOM 860 OE1 GLN A 63 2.014 5.648 7.532 1.00 0.00 O ATOM 861 NE2 GLN A 63 1.099 7.119 8.860 1.00 0.00 N ATOM 0 H GLN A 63 -1.041 1.657 7.640 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.064 3.987 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.569 4.166 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.157 3.935 8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.438 5.887 6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.145 6.370 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.254 7.563 9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.014 7.410 9.203 1.00 0.00 H new ATOM 870 N VAL A 64 1.198 3.293 4.956 1.00 0.00 N ATOM 871 CA VAL A 64 2.559 2.965 4.502 1.00 0.00 C ATOM 872 C VAL A 64 3.396 4.235 4.288 1.00 0.00 C ATOM 873 O VAL A 64 2.878 5.300 4.019 1.00 0.00 O ATOM 874 CB VAL A 64 2.402 2.245 3.160 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.173 1.333 3.203 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.223 3.282 2.040 1.00 0.00 C ATOM 0 H VAL A 64 0.577 3.652 4.231 1.00 0.00 H new ATOM 0 HA VAL A 64 3.068 2.354 5.248 1.00 0.00 H new ATOM 0 HB VAL A 64 3.292 1.646 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.065 0.823 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.295 0.595 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.283 1.931 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.111 2.770 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.334 3.881 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.097 3.932 2.003 1.00 0.00 H new ATOM 886 N GLU A 65 4.691 4.102 4.337 1.00 0.00 N ATOM 887 CA GLU A 65 5.586 5.254 4.063 1.00 0.00 C ATOM 888 C GLU A 65 6.355 4.886 2.794 1.00 0.00 C ATOM 889 O GLU A 65 7.407 4.287 2.852 1.00 0.00 O ATOM 890 CB GLU A 65 6.556 5.455 5.230 1.00 0.00 C ATOM 891 CG GLU A 65 7.457 6.659 4.946 1.00 0.00 C ATOM 892 CD GLU A 65 7.762 7.390 6.255 1.00 0.00 C ATOM 893 OE1 GLU A 65 6.871 8.049 6.765 1.00 0.00 O ATOM 894 OE2 GLU A 65 8.884 7.280 6.725 1.00 0.00 O ATOM 0 H GLU A 65 5.172 3.230 4.559 1.00 0.00 H new ATOM 0 HA GLU A 65 5.027 6.182 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.001 5.613 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.162 4.560 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.384 6.330 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.968 7.335 4.245 1.00 0.00 H new ATOM 901 N ILE A 66 5.806 5.178 1.645 1.00 0.00 N ATOM 902 CA ILE A 66 6.485 4.761 0.381 1.00 0.00 C ATOM 903 C ILE A 66 7.402 5.860 -0.172 1.00 0.00 C ATOM 904 O ILE A 66 7.037 7.016 -0.224 1.00 0.00 O ATOM 905 CB ILE A 66 5.428 4.397 -0.671 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.369 5.501 -0.766 1.00 0.00 C ATOM 907 CG2 ILE A 66 4.750 3.085 -0.272 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.354 5.133 -1.851 1.00 0.00 C ATOM 0 H ILE A 66 4.927 5.681 1.526 1.00 0.00 H new ATOM 0 HA ILE A 66 7.107 3.896 0.609 1.00 0.00 H new ATOM 0 HB ILE A 66 5.916 4.288 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.866 5.622 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.841 6.455 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.998 2.823 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.496 2.293 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.272 3.204 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.598 5.915 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.865 5.033 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.875 4.188 -1.595 1.00 0.00 H new ATOM 920 N GLY A 67 8.589 5.497 -0.608 1.00 0.00 N ATOM 921 CA GLY A 67 9.520 6.511 -1.176 1.00 0.00 C ATOM 922 C GLY A 67 9.991 6.052 -2.562 1.00 0.00 C ATOM 923 O GLY A 67 9.813 4.906 -2.952 1.00 0.00 O ATOM 0 H GLY A 67 8.947 4.542 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.021 7.477 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.376 6.645 -0.515 1.00 0.00 H new ATOM 927 N ARG A 68 10.598 6.939 -3.306 1.00 0.00 N ATOM 928 CA ARG A 68 11.094 6.575 -4.663 1.00 0.00 C ATOM 929 C ARG A 68 12.619 6.482 -4.627 1.00 0.00 C ATOM 930 O ARG A 68 13.227 6.678 -3.598 1.00 0.00 O ATOM 931 CB ARG A 68 10.672 7.647 -5.670 1.00 0.00 C ATOM 932 CG ARG A 68 9.228 8.072 -5.392 1.00 0.00 C ATOM 933 CD ARG A 68 8.444 8.115 -6.707 1.00 0.00 C ATOM 934 NE ARG A 68 7.000 7.873 -6.433 1.00 0.00 N ATOM 935 CZ ARG A 68 6.112 8.767 -6.774 1.00 0.00 C ATOM 936 NH1 ARG A 68 5.754 8.886 -8.024 1.00 0.00 N ATOM 937 NH2 ARG A 68 5.580 9.539 -5.866 1.00 0.00 N ATOM 0 H ARG A 68 10.772 7.905 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 68 10.672 5.616 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.336 8.509 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.759 7.261 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.759 7.373 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.212 9.052 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.576 9.083 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.826 7.361 -7.395 1.00 0.00 H new ATOM 0 HE ARG A 68 6.705 7.009 -5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.168 8.281 -8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.060 9.584 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.858 9.444 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.886 10.237 -6.133 1.00 0.00 H new ATOM 951 N THR A 69 13.237 6.200 -5.742 1.00 0.00 N ATOM 952 CA THR A 69 14.729 6.112 -5.771 1.00 0.00 C ATOM 953 C THR A 69 15.199 6.237 -7.228 1.00 0.00 C ATOM 954 O THR A 69 14.389 6.322 -8.138 1.00 0.00 O ATOM 955 CB THR A 69 15.209 4.770 -5.190 1.00 0.00 C ATOM 956 OG1 THR A 69 16.237 4.238 -6.016 1.00 0.00 O ATOM 957 CG2 THR A 69 14.051 3.775 -5.118 1.00 0.00 C ATOM 0 H THR A 69 12.775 6.026 -6.635 1.00 0.00 H new ATOM 0 HA THR A 69 15.147 6.916 -5.165 1.00 0.00 H new ATOM 0 HB THR A 69 15.592 4.939 -4.184 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.111 4.524 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.407 2.831 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.265 4.177 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.654 3.606 -6.119 1.00 0.00 H new ATOM 965 N THR A 70 16.490 6.234 -7.478 1.00 0.00 N ATOM 966 CA THR A 70 16.948 6.355 -8.892 1.00 0.00 C ATOM 967 C THR A 70 16.808 4.999 -9.587 1.00 0.00 C ATOM 968 O THR A 70 15.753 4.671 -10.090 1.00 0.00 O ATOM 969 CB THR A 70 18.400 6.886 -8.991 1.00 0.00 C ATOM 970 OG1 THR A 70 18.900 6.614 -10.293 1.00 0.00 O ATOM 971 CG2 THR A 70 19.337 6.242 -7.955 1.00 0.00 C ATOM 0 H THR A 70 17.228 6.155 -6.778 1.00 0.00 H new ATOM 0 HA THR A 70 16.317 7.087 -9.396 1.00 0.00 H new ATOM 0 HB THR A 70 18.373 7.957 -8.790 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.818 6.948 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.341 6.650 -8.069 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.971 6.455 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.364 5.163 -8.110 1.00 0.00 H new ATOM 1123 N GLU A 82 19.509 4.210 -4.467 1.00 0.00 N ATOM 1124 CA GLU A 82 19.097 4.948 -3.242 1.00 0.00 C ATOM 1125 C GLU A 82 17.836 5.765 -3.548 1.00 0.00 C ATOM 1126 O GLU A 82 17.475 5.957 -4.697 1.00 0.00 O ATOM 1127 CB GLU A 82 20.232 5.894 -2.810 1.00 0.00 C ATOM 1128 CG GLU A 82 21.583 5.345 -3.281 1.00 0.00 C ATOM 1129 CD GLU A 82 21.970 4.134 -2.429 1.00 0.00 C ATOM 1130 OE1 GLU A 82 21.284 3.879 -1.453 1.00 0.00 O ATOM 1131 OE2 GLU A 82 22.945 3.483 -2.767 1.00 0.00 O ATOM 0 HA GLU A 82 18.889 4.242 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.068 6.887 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.233 6.002 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.525 5.060 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 82 22.348 6.117 -3.202 1.00 0.00 H new ATOM 1138 N PHE A 83 17.160 6.249 -2.535 1.00 0.00 N ATOM 1139 CA PHE A 83 15.912 7.057 -2.787 1.00 0.00 C ATOM 1140 C PHE A 83 16.215 8.287 -3.660 1.00 0.00 C ATOM 1141 O PHE A 83 15.319 9.027 -4.010 1.00 0.00 O ATOM 1142 CB PHE A 83 15.248 7.538 -1.481 1.00 0.00 C ATOM 1143 CG PHE A 83 14.622 6.354 -0.760 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.427 5.397 -0.124 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.224 6.214 -0.730 1.00 0.00 C ATOM 1146 CE1 PHE A 83 14.838 4.313 0.538 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.640 5.128 -0.068 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.445 4.177 0.567 1.00 0.00 C ATOM 0 H PHE A 83 17.409 6.125 -1.554 1.00 0.00 H new ATOM 0 HA PHE A 83 15.223 6.390 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 83 15.988 8.017 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.486 8.286 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.502 5.497 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.599 6.946 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.461 3.579 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.565 5.024 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.993 3.340 1.078 1.00 0.00 H new ATOM 1158 N HIS A 84 17.454 8.523 -4.006 1.00 0.00 N ATOM 1159 CA HIS A 84 17.784 9.711 -4.848 1.00 0.00 C ATOM 1160 C HIS A 84 17.473 10.984 -4.054 1.00 0.00 C ATOM 1161 O HIS A 84 16.397 11.537 -4.168 1.00 0.00 O ATOM 1162 CB HIS A 84 16.950 9.696 -6.139 1.00 0.00 C ATOM 1163 CG HIS A 84 17.138 10.998 -6.869 1.00 0.00 C ATOM 1164 ND1 HIS A 84 16.070 11.714 -7.390 1.00 0.00 N ATOM 1165 CD2 HIS A 84 18.261 11.725 -7.177 1.00 0.00 C ATOM 1166 CE1 HIS A 84 16.569 12.817 -7.977 1.00 0.00 C ATOM 1167 NE2 HIS A 84 17.899 12.873 -7.875 1.00 0.00 N ATOM 0 H HIS A 84 18.251 7.944 -3.742 1.00 0.00 H new ATOM 0 HA HIS A 84 18.841 9.683 -5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 84 17.255 8.863 -6.773 1.00 0.00 H new ATOM 0 HB3 HIS A 84 15.896 9.547 -5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 84 19.272 11.448 -6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.967 13.566 -8.470 1.00 0.00 H new ATOM 0 HE2 HIS A 84 18.517 13.601 -8.232 1.00 0.00 H new ATOM 1258 N LYS A 91 13.260 12.043 1.212 1.00 0.00 N ATOM 1259 CA LYS A 91 12.116 12.404 0.338 1.00 0.00 C ATOM 1260 C LYS A 91 11.267 11.154 0.110 1.00 0.00 C ATOM 1261 O LYS A 91 11.615 10.294 -0.675 1.00 0.00 O ATOM 1262 CB LYS A 91 12.639 12.920 -1.006 1.00 0.00 C ATOM 1263 CG LYS A 91 11.527 13.689 -1.724 1.00 0.00 C ATOM 1264 CD LYS A 91 11.973 15.135 -1.954 1.00 0.00 C ATOM 1265 CE LYS A 91 10.767 16.068 -1.827 1.00 0.00 C ATOM 1266 NZ LYS A 91 9.831 15.826 -2.960 1.00 0.00 N ATOM 0 HA LYS A 91 11.517 13.183 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.501 13.568 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.976 12.086 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.297 13.212 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.614 13.669 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.737 15.411 -1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.421 15.236 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.259 15.896 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.096 17.107 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.092 16.557 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.356 15.862 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.391 14.890 -2.853 1.00 0.00 H new ATOM 1280 N TYR A 92 10.154 11.045 0.781 1.00 0.00 N ATOM 1281 CA TYR A 92 9.286 9.835 0.584 1.00 0.00 C ATOM 1282 C TYR A 92 7.830 10.266 0.426 1.00 0.00 C ATOM 1283 O TYR A 92 7.538 11.361 -0.013 1.00 0.00 O ATOM 1284 CB TYR A 92 9.397 8.852 1.769 1.00 0.00 C ATOM 1285 CG TYR A 92 10.869 8.637 2.125 1.00 0.00 C ATOM 1286 CD1 TYR A 92 11.820 8.398 1.114 1.00 0.00 C ATOM 1287 CD2 TYR A 92 11.295 8.686 3.466 1.00 0.00 C ATOM 1288 CE1 TYR A 92 13.164 8.212 1.441 1.00 0.00 C ATOM 1289 CE2 TYR A 92 12.641 8.496 3.784 1.00 0.00 C ATOM 1290 CZ TYR A 92 13.576 8.259 2.775 1.00 0.00 C ATOM 1291 OH TYR A 92 14.906 8.075 3.094 1.00 0.00 O ATOM 0 H TYR A 92 9.805 11.730 1.452 1.00 0.00 H new ATOM 0 HA TYR A 92 9.630 9.325 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.858 9.245 2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.933 7.900 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.508 8.358 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.578 8.871 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.888 8.031 0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.960 8.533 4.815 1.00 0.00 H new ATOM 0 HH TYR A 92 15.021 8.140 4.065 1.00 0.00 H new ATOM 1301 N THR A 93 6.915 9.412 0.781 1.00 0.00 N ATOM 1302 CA THR A 93 5.476 9.764 0.653 1.00 0.00 C ATOM 1303 C THR A 93 4.650 8.911 1.619 1.00 0.00 C ATOM 1304 O THR A 93 4.598 7.697 1.509 1.00 0.00 O ATOM 1305 CB THR A 93 5.012 9.503 -0.782 1.00 0.00 C ATOM 1306 OG1 THR A 93 6.032 9.901 -1.687 1.00 0.00 O ATOM 1307 CG2 THR A 93 3.738 10.301 -1.061 1.00 0.00 C ATOM 0 H THR A 93 7.102 8.482 1.156 1.00 0.00 H new ATOM 0 HA THR A 93 5.339 10.818 0.894 1.00 0.00 H new ATOM 0 HB THR A 93 4.807 8.440 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.737 9.733 -2.606 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.408 10.115 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.957 9.994 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.940 11.365 -0.933 1.00 0.00 H new ATOM 1315 N THR A 94 4.002 9.538 2.562 1.00 0.00 N ATOM 1316 CA THR A 94 3.174 8.772 3.530 1.00 0.00 C ATOM 1317 C THR A 94 1.755 8.653 2.979 1.00 0.00 C ATOM 1318 O THR A 94 1.252 9.562 2.353 1.00 0.00 O ATOM 1319 CB THR A 94 3.153 9.500 4.882 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.770 8.584 5.899 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.158 10.661 4.839 1.00 0.00 C ATOM 0 H THR A 94 4.011 10.548 2.702 1.00 0.00 H new ATOM 0 HA THR A 94 3.595 7.777 3.674 1.00 0.00 H new ATOM 0 HB THR A 94 4.147 9.894 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.757 9.043 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.151 11.170 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.452 11.364 4.059 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.161 10.278 4.624 1.00 0.00 H new ATOM 1329 N CYS A 95 1.099 7.549 3.207 1.00 0.00 N ATOM 1330 CA CYS A 95 -0.292 7.403 2.688 1.00 0.00 C ATOM 1331 C CYS A 95 -0.935 6.200 3.369 1.00 0.00 C ATOM 1332 O CYS A 95 -0.266 5.425 4.014 1.00 0.00 O ATOM 1333 CB CYS A 95 -0.271 7.206 1.162 1.00 0.00 C ATOM 1334 SG CYS A 95 -1.944 7.384 0.494 1.00 0.00 S ATOM 0 H CYS A 95 1.460 6.748 3.725 1.00 0.00 H new ATOM 0 HA CYS A 95 -0.868 8.303 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.393 7.937 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.124 6.219 0.919 1.00 0.00 H new ATOM 1339 N THR A 96 -2.221 6.044 3.257 1.00 0.00 N ATOM 1340 CA THR A 96 -2.876 4.889 3.929 1.00 0.00 C ATOM 1341 C THR A 96 -3.960 4.317 3.030 1.00 0.00 C ATOM 1342 O THR A 96 -4.942 4.971 2.761 1.00 0.00 O ATOM 1343 CB THR A 96 -3.521 5.374 5.225 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.524 5.928 6.072 1.00 0.00 O ATOM 1345 CG2 THR A 96 -4.207 4.206 5.934 1.00 0.00 C ATOM 0 H THR A 96 -2.844 6.660 2.734 1.00 0.00 H new ATOM 0 HA THR A 96 -2.131 4.121 4.137 1.00 0.00 H new ATOM 0 HB THR A 96 -4.265 6.136 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.946 6.514 6.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.665 4.559 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.976 3.787 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.470 3.437 6.166 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.827 3.102 2.573 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.926 2.570 1.699 1.00 0.00 C ATOM 1355 C PHE A 97 -6.076 2.078 2.569 1.00 0.00 C ATOM 1356 O PHE A 97 -5.912 1.778 3.736 1.00 0.00 O ATOM 1357 CB PHE A 97 -4.501 1.405 0.790 1.00 0.00 C ATOM 1358 CG PHE A 97 -3.007 1.276 0.641 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -2.177 2.401 0.632 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -2.461 -0.001 0.476 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.794 2.241 0.464 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -1.089 -0.160 0.302 1.00 0.00 C ATOM 1363 CZ PHE A 97 -0.252 0.955 0.296 1.00 0.00 C ATOM 0 H PHE A 97 -3.044 2.473 2.752 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.216 3.401 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.900 0.475 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.946 1.542 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.599 3.388 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.106 -0.867 0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.146 3.105 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.673 -1.148 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.812 0.831 0.162 1.00 0.00 H new ATOM 1373 N VAL A 98 -7.240 1.977 1.993 1.00 0.00 N ATOM 1374 CA VAL A 98 -8.415 1.489 2.757 1.00 0.00 C ATOM 1375 C VAL A 98 -9.117 0.415 1.921 1.00 0.00 C ATOM 1376 O VAL A 98 -9.577 0.673 0.827 1.00 0.00 O ATOM 1377 CB VAL A 98 -9.372 2.656 3.015 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.661 2.134 3.651 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.705 3.660 3.960 1.00 0.00 C ATOM 0 H VAL A 98 -7.427 2.214 1.019 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.102 1.071 3.714 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.610 3.146 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.340 2.967 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.135 1.420 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.428 1.643 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.384 4.492 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.467 3.169 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.788 4.035 3.505 1.00 0.00 H new ATOM 1389 N VAL A 99 -9.192 -0.793 2.414 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.849 -1.871 1.626 1.00 0.00 C ATOM 1391 C VAL A 99 -11.317 -1.985 2.034 1.00 0.00 C ATOM 1392 O VAL A 99 -11.712 -1.559 3.100 1.00 0.00 O ATOM 1393 CB VAL A 99 -9.136 -3.199 1.890 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -9.453 -4.180 0.758 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -7.624 -2.965 1.950 1.00 0.00 C ATOM 0 H VAL A 99 -8.828 -1.077 3.324 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.791 -1.632 0.564 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.478 -3.612 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.946 -5.127 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.529 -4.348 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.110 -3.765 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.117 -3.911 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.282 -2.552 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.396 -2.265 2.754 1.00 0.00 H new ATOM 1405 N TYR A 100 -12.130 -2.558 1.192 1.00 0.00 N ATOM 1406 CA TYR A 100 -13.570 -2.699 1.536 1.00 0.00 C ATOM 1407 C TYR A 100 -13.938 -4.186 1.498 1.00 0.00 C ATOM 1408 O TYR A 100 -13.351 -4.955 0.763 1.00 0.00 O ATOM 1409 CB TYR A 100 -14.400 -1.920 0.516 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.729 -1.422 1.148 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -16.029 -1.635 2.522 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -16.680 -0.743 0.356 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -17.236 -1.175 3.063 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.881 -0.289 0.915 1.00 0.00 C ATOM 1415 CZ TYR A 100 -18.158 -0.503 2.264 1.00 0.00 C ATOM 1416 OH TYR A 100 -19.343 -0.053 2.807 1.00 0.00 O ATOM 0 H TYR A 100 -11.860 -2.934 0.283 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.770 -2.304 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.826 -1.069 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -14.617 -2.554 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -15.322 -2.154 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -16.479 -0.572 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.454 -1.343 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.598 0.231 0.296 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.871 0.395 2.114 1.00 0.00 H new ATOM 1426 N SER A 101 -14.895 -4.605 2.278 1.00 0.00 N ATOM 1427 CA SER A 101 -15.272 -6.046 2.269 1.00 0.00 C ATOM 1428 C SER A 101 -16.775 -6.181 2.515 1.00 0.00 C ATOM 1429 O SER A 101 -17.217 -6.409 3.624 1.00 0.00 O ATOM 1430 CB SER A 101 -14.501 -6.791 3.363 1.00 0.00 C ATOM 1431 OG SER A 101 -14.764 -8.184 3.261 1.00 0.00 O ATOM 0 H SER A 101 -15.429 -4.017 2.917 1.00 0.00 H new ATOM 0 HA SER A 101 -15.023 -6.478 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.432 -6.603 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.798 -6.425 4.346 1.00 0.00 H new ATOM 0 HG SER A 101 -13.985 -8.688 3.576 1.00 0.00 H new ATOM 1437 N ILE A 102 -17.559 -6.044 1.483 1.00 0.00 N ATOM 1438 CA ILE A 102 -19.042 -6.170 1.652 1.00 0.00 C ATOM 1439 C ILE A 102 -19.373 -7.612 2.059 1.00 0.00 C ATOM 1440 O ILE A 102 -19.181 -8.518 1.269 1.00 0.00 O ATOM 1441 CB ILE A 102 -19.774 -5.857 0.332 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -18.901 -4.980 -0.572 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -21.078 -5.123 0.638 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -19.749 -4.417 -1.716 1.00 0.00 C ATOM 0 H ILE A 102 -17.244 -5.851 0.532 1.00 0.00 H new ATOM 0 HA ILE A 102 -19.367 -5.463 2.415 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.984 -6.794 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -18.465 -4.165 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -18.073 -5.565 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -21.598 -4.900 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -21.711 -5.751 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -20.858 -4.193 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -19.126 -3.794 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -20.164 -5.239 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -20.562 -3.817 -1.306 1.00 0.00 H new ATOM 1456 N PRO A 103 -19.852 -7.803 3.273 1.00 0.00 N ATOM 1457 CA PRO A 103 -20.199 -9.159 3.785 1.00 0.00 C ATOM 1458 C PRO A 103 -21.592 -9.604 3.318 1.00 0.00 C ATOM 1459 O PRO A 103 -21.862 -10.784 3.215 1.00 0.00 O ATOM 1460 CB PRO A 103 -20.147 -8.984 5.300 1.00 0.00 C ATOM 1461 CG PRO A 103 -20.387 -7.504 5.584 1.00 0.00 C ATOM 1462 CD PRO A 103 -20.100 -6.726 4.293 1.00 0.00 C ATOM 0 HA PRO A 103 -19.524 -9.933 3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -20.905 -9.598 5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.181 -9.301 5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -21.414 -7.339 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.739 -7.160 6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -20.942 -6.094 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -19.234 -6.073 4.404 1.00 0.00 H new ATOM 1470 N TRP A 104 -22.487 -8.689 3.055 1.00 0.00 N ATOM 1471 CA TRP A 104 -23.863 -9.121 2.622 1.00 0.00 C ATOM 1472 C TRP A 104 -23.898 -9.598 1.155 1.00 0.00 C ATOM 1473 O TRP A 104 -24.732 -10.406 0.796 1.00 0.00 O ATOM 1474 CB TRP A 104 -24.867 -7.982 2.796 1.00 0.00 C ATOM 1475 CG TRP A 104 -24.548 -6.861 1.860 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -24.802 -6.856 0.532 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -23.935 -5.579 2.165 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -24.407 -5.640 0.005 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -23.867 -4.816 0.974 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -23.445 -5.010 3.351 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -23.333 -3.526 0.964 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -22.905 -3.712 3.346 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -22.854 -2.971 2.155 1.00 0.00 C ATOM 0 H TRP A 104 -22.338 -7.682 3.117 1.00 0.00 H new ATOM 0 HA TRP A 104 -24.135 -9.961 3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -25.877 -8.346 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -24.845 -7.623 3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -25.242 -7.669 -0.026 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -24.502 -5.383 -0.977 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -23.483 -5.572 4.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -23.290 -2.961 0.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -22.528 -3.283 4.263 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.445 -1.972 2.158 1.00 0.00 H new ATOM 1494 N LEU A 105 -23.029 -9.125 0.299 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.073 -9.587 -1.113 1.00 0.00 C ATOM 1496 C LEU A 105 -21.808 -10.391 -1.436 1.00 0.00 C ATOM 1497 O LEU A 105 -21.676 -10.936 -2.512 1.00 0.00 O ATOM 1498 CB LEU A 105 -23.195 -8.404 -2.072 1.00 0.00 C ATOM 1499 CG LEU A 105 -24.487 -8.526 -2.862 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -24.387 -9.735 -3.771 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -25.690 -8.704 -1.935 1.00 0.00 C ATOM 0 H LEU A 105 -22.300 -8.446 0.517 1.00 0.00 H new ATOM 0 HA LEU A 105 -23.950 -10.222 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.184 -7.467 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.342 -8.382 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.629 -7.612 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.308 -9.836 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -23.546 -9.609 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.235 -10.631 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.599 -8.788 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -25.561 -9.608 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.769 -7.842 -1.272 1.00 0.00 H new ATOM 1513 N ASN A 106 -20.885 -10.471 -0.511 1.00 0.00 N ATOM 1514 CA ASN A 106 -19.627 -11.251 -0.754 1.00 0.00 C ATOM 1515 C ASN A 106 -18.773 -10.540 -1.804 1.00 0.00 C ATOM 1516 O ASN A 106 -18.580 -11.033 -2.898 1.00 0.00 O ATOM 1517 CB ASN A 106 -19.955 -12.680 -1.242 1.00 0.00 C ATOM 1518 CG ASN A 106 -18.684 -13.337 -1.787 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -18.467 -13.368 -2.981 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -17.830 -13.868 -0.955 1.00 0.00 N ATOM 0 H ASN A 106 -20.946 -10.029 0.406 1.00 0.00 H new ATOM 0 HA ASN A 106 -19.077 -11.318 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.360 -13.272 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.720 -12.644 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.981 -14.309 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.012 -13.842 0.048 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.244 -9.393 -1.482 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.388 -8.674 -2.475 1.00 0.00 C ATOM 1529 C GLN A 107 -16.328 -7.849 -1.747 1.00 0.00 C ATOM 1530 O GLN A 107 -16.542 -7.353 -0.661 1.00 0.00 O ATOM 1531 CB GLN A 107 -18.236 -7.735 -3.356 1.00 0.00 C ATOM 1532 CG GLN A 107 -19.709 -7.788 -2.945 1.00 0.00 C ATOM 1533 CD GLN A 107 -20.559 -7.128 -4.034 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -21.516 -7.706 -4.510 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -20.245 -5.932 -4.454 1.00 0.00 N ATOM 0 H GLN A 107 -18.363 -8.923 -0.584 1.00 0.00 H new ATOM 0 HA GLN A 107 -16.910 -9.420 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -17.866 -6.714 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.135 -8.022 -4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -20.021 -8.822 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -19.852 -7.275 -1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -19.442 -5.446 -4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -20.803 -5.484 -5.181 1.00 0.00 H new ATOM 1544 N ILE A 108 -15.182 -7.698 -2.355 1.00 0.00 N ATOM 1545 CA ILE A 108 -14.092 -6.901 -1.728 1.00 0.00 C ATOM 1546 C ILE A 108 -13.763 -5.719 -2.643 1.00 0.00 C ATOM 1547 O ILE A 108 -14.122 -5.710 -3.804 1.00 0.00 O ATOM 1548 CB ILE A 108 -12.852 -7.783 -1.556 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -11.788 -7.029 -0.756 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -12.289 -8.148 -2.930 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -10.533 -7.897 -0.637 1.00 0.00 C ATOM 0 H ILE A 108 -14.954 -8.096 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.407 -6.536 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.130 -8.692 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.547 -6.087 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.169 -6.783 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.406 -8.776 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.043 -8.690 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.015 -7.238 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.773 -7.362 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.781 -8.827 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.150 -8.121 -1.633 1.00 0.00 H new ATOM 1563 N LYS A 109 -13.090 -4.716 -2.143 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.764 -3.552 -3.014 1.00 0.00 C ATOM 1565 C LYS A 109 -11.559 -2.786 -2.459 1.00 0.00 C ATOM 1566 O LYS A 109 -10.912 -3.209 -1.520 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.972 -2.616 -3.089 1.00 0.00 C ATOM 1568 CG LYS A 109 -14.649 -2.767 -4.452 1.00 0.00 C ATOM 1569 CD LYS A 109 -14.282 -1.575 -5.337 1.00 0.00 C ATOM 1570 CE LYS A 109 -14.439 -1.961 -6.808 1.00 0.00 C ATOM 1571 NZ LYS A 109 -15.179 -0.887 -7.529 1.00 0.00 N ATOM 0 H LYS A 109 -12.756 -4.653 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.518 -3.919 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.678 -2.851 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.656 -1.584 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.334 -3.696 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.731 -2.823 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.923 -0.725 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.256 -1.265 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.459 -2.110 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.976 -2.906 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.285 -1.150 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.119 -0.766 -7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.650 0.006 -7.460 1.00 0.00 H new ATOM 1585 N LEU A 110 -11.265 -1.652 -3.040 1.00 0.00 N ATOM 1586 CA LEU A 110 -10.118 -0.831 -2.587 1.00 0.00 C ATOM 1587 C LEU A 110 -10.496 0.643 -2.756 1.00 0.00 C ATOM 1588 O LEU A 110 -10.246 1.245 -3.780 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.902 -1.150 -3.450 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.639 -0.577 -2.801 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.706 0.951 -2.809 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.538 -1.077 -1.359 1.00 0.00 C ATOM 0 H LEU A 110 -11.786 -1.258 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.881 -1.043 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.803 -2.229 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.032 -0.729 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.763 -0.902 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.806 1.357 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.778 1.307 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.582 1.280 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.639 -0.670 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.415 -0.752 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.488 -2.166 -1.354 1.00 0.00 H new ATOM 1604 N LEU A 111 -11.121 1.210 -1.768 1.00 0.00 N ATOM 1605 CA LEU A 111 -11.557 2.634 -1.849 1.00 0.00 C ATOM 1606 C LEU A 111 -10.488 3.470 -2.543 1.00 0.00 C ATOM 1607 O LEU A 111 -10.679 3.936 -3.649 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.789 3.176 -0.436 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.723 4.388 -0.501 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -14.160 3.912 -0.725 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.643 5.165 0.814 1.00 0.00 C ATOM 0 H LEU A 111 -11.354 0.742 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.482 2.691 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.224 2.401 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.839 3.459 0.017 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.421 5.036 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.826 4.774 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.218 3.358 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.461 3.265 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.308 6.028 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.945 4.518 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.620 5.504 0.975 1.00 0.00 H new ATOM 1623 N GLU A 112 -9.360 3.641 -1.917 1.00 0.00 N ATOM 1624 CA GLU A 112 -8.264 4.444 -2.571 1.00 0.00 C ATOM 1625 C GLU A 112 -7.173 4.788 -1.558 1.00 0.00 C ATOM 1626 O GLU A 112 -7.318 4.580 -0.369 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.811 5.751 -3.183 1.00 0.00 C ATOM 1628 CG GLU A 112 -8.345 5.853 -4.638 1.00 0.00 C ATOM 1629 CD GLU A 112 -9.174 4.901 -5.504 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -8.859 3.724 -5.522 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -10.107 5.367 -6.136 1.00 0.00 O ATOM 0 H GLU A 112 -9.140 3.270 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.846 3.830 -3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.900 5.763 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.458 6.610 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.455 6.877 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.287 5.601 -4.711 1.00 0.00 H new ATOM 1638 N SER A 113 -6.073 5.314 -2.029 1.00 0.00 N ATOM 1639 CA SER A 113 -4.958 5.680 -1.112 1.00 0.00 C ATOM 1640 C SER A 113 -5.268 7.016 -0.432 1.00 0.00 C ATOM 1641 O SER A 113 -5.227 8.063 -1.046 1.00 0.00 O ATOM 1642 CB SER A 113 -3.661 5.806 -1.917 1.00 0.00 C ATOM 1643 OG SER A 113 -3.514 7.144 -2.371 1.00 0.00 O ATOM 0 H SER A 113 -5.900 5.506 -3.016 1.00 0.00 H new ATOM 0 HA SER A 113 -4.844 4.907 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.808 5.524 -1.299 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.679 5.122 -2.766 1.00 0.00 H new ATOM 0 HG SER A 113 -4.393 7.575 -2.408 1.00 0.00 H new ATOM 1649 N LYS A 114 -5.571 6.987 0.836 1.00 0.00 N ATOM 1650 CA LYS A 114 -5.877 8.248 1.565 1.00 0.00 C ATOM 1651 C LYS A 114 -4.585 8.774 2.216 1.00 0.00 C ATOM 1652 O LYS A 114 -4.104 8.205 3.177 1.00 0.00 O ATOM 1653 CB LYS A 114 -6.909 7.958 2.659 1.00 0.00 C ATOM 1654 CG LYS A 114 -8.286 8.445 2.205 1.00 0.00 C ATOM 1655 CD LYS A 114 -8.897 9.336 3.289 1.00 0.00 C ATOM 1656 CE LYS A 114 -10.293 8.821 3.644 1.00 0.00 C ATOM 1657 NZ LYS A 114 -10.189 7.436 4.185 1.00 0.00 N ATOM 0 H LYS A 114 -5.620 6.139 1.401 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.274 8.991 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.941 6.889 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.623 8.456 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.197 9.000 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.938 7.594 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.262 9.337 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.956 10.366 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.758 9.477 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.931 8.831 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.906 7.298 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.346 6.751 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.242 7.291 4.589 1.00 0.00 H new ATOM 1671 N CYS A 115 -4.000 9.838 1.711 1.00 0.00 N ATOM 1672 CA CYS A 115 -2.739 10.346 2.333 1.00 0.00 C ATOM 1673 C CYS A 115 -2.923 11.798 2.767 1.00 0.00 C ATOM 1674 O CYS A 115 -3.833 12.475 2.336 1.00 0.00 O ATOM 1675 CB CYS A 115 -1.558 10.253 1.347 1.00 0.00 C ATOM 1676 SG CYS A 115 -2.021 9.307 -0.129 1.00 0.00 S ATOM 0 H CYS A 115 -4.337 10.367 0.907 1.00 0.00 H new ATOM 0 HA CYS A 115 -2.516 9.726 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -1.241 11.255 1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -0.707 9.779 1.836 1.00 0.00 H new ATOM 1681 N GLN A 116 -2.059 12.275 3.622 1.00 0.00 N ATOM 1682 CA GLN A 116 -2.159 13.684 4.107 1.00 0.00 C ATOM 1683 C GLN A 116 -3.566 13.945 4.652 1.00 0.00 C ATOM 1684 CB GLN A 116 -1.824 14.662 2.959 1.00 0.00 C ATOM 1685 CG GLN A 116 -3.070 15.019 2.130 1.00 0.00 C ATOM 1686 CD GLN A 116 -2.849 14.595 0.677 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -3.733 14.042 0.052 1.00 0.00 O ATOM 1688 NE2 GLN A 116 -1.698 14.834 0.107 1.00 0.00 N ATOM 0 H GLN A 116 -1.280 11.744 4.010 1.00 0.00 H new ATOM 0 HA GLN A 116 -1.441 13.842 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -1.389 15.572 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.071 14.216 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -3.948 14.518 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -3.261 16.091 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.956 15.298 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -1.541 14.557 -0.862 1.00 0.00 H new