USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 772 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 60 TYR OH : rot 180:sc= -0.83 USER MOD Set 1.2: A 101 SER OG : rot 122:sc= -6.57! USER MOD Set 2.1: A 63 GLN : amide:sc= -5.55! C(o=-8.3!,f=-9.7!) USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc= -2.77! USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 100 TYR OH : rot 169:sc= -0.707 USER MOD Single : A 17 ASN : amide:sc= -2.54! C(o=-2.5!,f=-10!) USER MOD Single : A 22 GLN : amide:sc= 0.151 K(o=0.15,f=-0.81) USER MOD Single : A 26 GLN : amide:sc= -0.404 K(o=-0.4,f=-3.1!) USER MOD Single : A 32 TYR OH : rot 128:sc= -3.91! USER MOD Single : A 33 ASN : amide:sc= -0.606 K(o=-0.61,f=-2.1!) USER MOD Single : A 36 SER OG : rot 173:sc= 1.05 USER MOD Single : A 37 ASN : amide:sc= -1.22! C(o=-1.2!,f=-1.3!) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.0937 (180deg=-0.269) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 98:sc= 0.00551 USER MOD Single : A 42 SER OG : rot -120:sc= -0.29 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -4.14! C(o=-4.1!,f=-11!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -10:sc= 0.503 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -7.59! C(o=-12!,f=-7.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -24:sc= 0.876 USER MOD Single : A 106 ASN : amide:sc= -0.3 K(o=-0.3,f=-0.86!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 54:sc= 0.0639 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -8.020 9.939 15.600 1.00 0.00 N ATOM 18 CA PRO A 11 -7.630 8.611 15.045 1.00 0.00 C ATOM 19 C PRO A 11 -6.471 8.013 15.848 1.00 0.00 C ATOM 20 O PRO A 11 -5.833 8.687 16.633 1.00 0.00 O ATOM 21 CB PRO A 11 -7.193 8.949 13.624 1.00 0.00 C ATOM 22 CG PRO A 11 -6.781 10.418 13.620 1.00 0.00 C ATOM 23 CD PRO A 11 -7.416 11.083 14.847 1.00 0.00 C ATOM 0 HA PRO A 11 -8.430 7.872 15.081 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.362 8.315 13.315 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.006 8.775 12.919 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.695 10.511 13.653 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.115 10.906 12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.673 11.609 15.447 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.170 11.816 14.560 1.00 0.00 H new ATOM 31 N VAL A 12 -6.195 6.751 15.658 1.00 0.00 N ATOM 32 CA VAL A 12 -5.089 6.105 16.399 1.00 0.00 C ATOM 33 C VAL A 12 -3.941 5.843 15.424 1.00 0.00 C ATOM 34 O VAL A 12 -3.972 4.873 14.700 1.00 0.00 O ATOM 35 CB VAL A 12 -5.598 4.765 16.935 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.418 3.959 17.455 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.626 4.970 18.062 1.00 0.00 C ATOM 0 H VAL A 12 -6.697 6.140 15.014 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.747 6.739 17.217 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.091 4.229 16.124 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.772 3.002 17.839 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.710 3.785 16.644 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.925 4.511 18.255 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.969 4.000 18.422 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.162 5.518 18.882 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.476 5.537 17.681 1.00 0.00 H new ATOM 47 N PRO A 13 -2.960 6.706 15.425 1.00 0.00 N ATOM 48 CA PRO A 13 -1.784 6.574 14.518 1.00 0.00 C ATOM 49 C PRO A 13 -0.940 5.362 14.900 1.00 0.00 C ATOM 50 O PRO A 13 -0.942 4.914 16.030 1.00 0.00 O ATOM 51 CB PRO A 13 -1.031 7.883 14.717 1.00 0.00 C ATOM 52 CG PRO A 13 -1.454 8.421 16.075 1.00 0.00 C ATOM 53 CD PRO A 13 -2.871 7.901 16.328 1.00 0.00 C ATOM 0 HA PRO A 13 -2.057 6.412 13.475 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.046 7.720 14.682 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.272 8.593 13.926 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.772 8.083 16.855 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.434 9.511 16.084 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.020 7.629 17.373 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.625 8.649 16.083 1.00 0.00 H new ATOM 61 N VAL A 14 -0.239 4.816 13.952 1.00 0.00 N ATOM 62 CA VAL A 14 0.590 3.613 14.227 1.00 0.00 C ATOM 63 C VAL A 14 2.030 4.021 14.538 1.00 0.00 C ATOM 64 O VAL A 14 2.483 5.096 14.201 1.00 0.00 O ATOM 65 CB VAL A 14 0.548 2.700 12.992 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.833 1.879 12.857 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.645 1.750 13.106 1.00 0.00 C ATOM 0 H VAL A 14 -0.204 5.153 12.990 1.00 0.00 H new ATOM 0 HA VAL A 14 0.196 3.081 15.093 1.00 0.00 H new ATOM 0 HB VAL A 14 0.451 3.330 12.108 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.768 1.245 11.973 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.686 2.551 12.760 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.961 1.256 13.742 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.678 1.101 12.231 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.542 1.143 14.005 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.567 2.329 13.163 1.00 0.00 H new ATOM 77 N ASP A 15 2.744 3.139 15.171 1.00 0.00 N ATOM 78 CA ASP A 15 4.167 3.404 15.520 1.00 0.00 C ATOM 79 C ASP A 15 5.049 2.895 14.387 1.00 0.00 C ATOM 80 O ASP A 15 4.574 2.526 13.331 1.00 0.00 O ATOM 81 CB ASP A 15 4.531 2.670 16.822 1.00 0.00 C ATOM 82 CG ASP A 15 3.260 2.242 17.564 1.00 0.00 C ATOM 83 OD1 ASP A 15 2.330 3.029 17.607 1.00 0.00 O ATOM 84 OD2 ASP A 15 3.240 1.134 18.072 1.00 0.00 O ATOM 0 H ASP A 15 2.397 2.227 15.468 1.00 0.00 H new ATOM 0 HA ASP A 15 4.319 4.474 15.663 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.141 1.795 16.596 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.131 3.320 17.459 1.00 0.00 H new ATOM 89 N GLU A 16 6.329 2.878 14.597 1.00 0.00 N ATOM 90 CA GLU A 16 7.260 2.397 13.533 1.00 0.00 C ATOM 91 C GLU A 16 7.158 0.871 13.355 1.00 0.00 C ATOM 92 O GLU A 16 7.957 0.272 12.661 1.00 0.00 O ATOM 93 CB GLU A 16 8.696 2.769 13.912 1.00 0.00 C ATOM 94 CG GLU A 16 9.104 4.048 13.174 1.00 0.00 C ATOM 95 CD GLU A 16 8.193 5.199 13.605 1.00 0.00 C ATOM 96 OE1 GLU A 16 8.511 5.843 14.591 1.00 0.00 O ATOM 97 OE2 GLU A 16 7.192 5.417 12.940 1.00 0.00 O ATOM 0 H GLU A 16 6.779 3.177 15.462 1.00 0.00 H new ATOM 0 HA GLU A 16 6.983 2.872 12.592 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.772 2.918 14.989 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.374 1.955 13.654 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.144 4.291 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.033 3.897 12.097 1.00 0.00 H new ATOM 104 N ASN A 17 6.188 0.233 13.957 1.00 0.00 N ATOM 105 CA ASN A 17 6.052 -1.243 13.795 1.00 0.00 C ATOM 106 C ASN A 17 4.575 -1.602 13.591 1.00 0.00 C ATOM 107 O ASN A 17 4.097 -1.682 12.477 1.00 0.00 O ATOM 108 CB ASN A 17 6.609 -1.957 15.033 1.00 0.00 C ATOM 109 CG ASN A 17 6.416 -1.078 16.273 1.00 0.00 C ATOM 110 OD1 ASN A 17 5.503 -0.280 16.334 1.00 0.00 O ATOM 111 ND2 ASN A 17 7.247 -1.195 17.273 1.00 0.00 N ATOM 0 H ASN A 17 5.485 0.671 14.553 1.00 0.00 H new ATOM 0 HA ASN A 17 6.619 -1.567 12.922 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.102 -2.912 15.171 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.668 -2.175 14.892 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.129 -0.616 18.105 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.014 -1.865 17.223 1.00 0.00 H new ATOM 118 N ASP A 18 3.849 -1.815 14.651 1.00 0.00 N ATOM 119 CA ASP A 18 2.406 -2.164 14.517 1.00 0.00 C ATOM 120 C ASP A 18 2.232 -3.246 13.454 1.00 0.00 C ATOM 121 O ASP A 18 1.898 -2.969 12.318 1.00 0.00 O ATOM 122 CB ASP A 18 1.616 -0.922 14.113 1.00 0.00 C ATOM 123 CG ASP A 18 1.316 -0.085 15.358 1.00 0.00 C ATOM 124 OD1 ASP A 18 2.249 0.207 16.090 1.00 0.00 O ATOM 125 OD2 ASP A 18 0.161 0.247 15.561 1.00 0.00 O ATOM 0 H ASP A 18 4.193 -1.762 15.610 1.00 0.00 H new ATOM 0 HA ASP A 18 2.037 -2.536 15.473 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.185 -0.333 13.394 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.686 -1.212 13.623 1.00 0.00 H new ATOM 130 N GLU A 19 2.457 -4.476 13.813 1.00 0.00 N ATOM 131 CA GLU A 19 2.303 -5.580 12.824 1.00 0.00 C ATOM 132 C GLU A 19 0.921 -5.495 12.172 1.00 0.00 C ATOM 133 O GLU A 19 0.726 -5.922 11.051 1.00 0.00 O ATOM 134 CB GLU A 19 2.455 -6.929 13.531 1.00 0.00 C ATOM 135 CG GLU A 19 1.342 -7.088 14.570 1.00 0.00 C ATOM 136 CD GLU A 19 0.097 -7.668 13.899 1.00 0.00 C ATOM 137 OE1 GLU A 19 0.252 -8.393 12.930 1.00 0.00 O ATOM 138 OE2 GLU A 19 -0.992 -7.379 14.367 1.00 0.00 O ATOM 0 H GLU A 19 2.741 -4.767 14.748 1.00 0.00 H new ATOM 0 HA GLU A 19 3.071 -5.487 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.408 -7.740 12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.430 -6.991 14.014 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.673 -7.744 15.375 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.109 -6.123 15.020 1.00 0.00 H new ATOM 145 N GLY A 20 -0.043 -4.946 12.861 1.00 0.00 N ATOM 146 CA GLY A 20 -1.408 -4.835 12.273 1.00 0.00 C ATOM 147 C GLY A 20 -1.370 -3.872 11.085 1.00 0.00 C ATOM 148 O GLY A 20 -1.753 -4.214 9.982 1.00 0.00 O ATOM 0 H GLY A 20 0.056 -4.570 13.804 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.758 -5.815 11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.112 -4.477 13.024 1.00 0.00 H new ATOM 152 N LEU A 21 -0.901 -2.672 11.297 1.00 0.00 N ATOM 153 CA LEU A 21 -0.831 -1.695 10.176 1.00 0.00 C ATOM 154 C LEU A 21 0.017 -2.287 9.052 1.00 0.00 C ATOM 155 O LEU A 21 -0.221 -2.034 7.888 1.00 0.00 O ATOM 156 CB LEU A 21 -0.202 -0.393 10.672 1.00 0.00 C ATOM 157 CG LEU A 21 0.018 0.556 9.488 1.00 0.00 C ATOM 158 CD1 LEU A 21 -1.186 1.492 9.359 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.283 1.384 9.725 1.00 0.00 C ATOM 0 H LEU A 21 -0.564 -2.328 12.196 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.834 -1.485 9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.850 0.077 11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.747 -0.601 11.166 1.00 0.00 H new ATOM 0 HG LEU A 21 0.131 -0.024 8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.033 2.168 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.088 0.903 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.296 2.072 10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.439 2.059 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.171 1.965 10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.141 0.718 9.821 1.00 0.00 H new ATOM 171 N GLN A 22 0.999 -3.079 9.384 1.00 0.00 N ATOM 172 CA GLN A 22 1.845 -3.685 8.319 1.00 0.00 C ATOM 173 C GLN A 22 0.979 -4.591 7.454 1.00 0.00 C ATOM 174 O GLN A 22 1.058 -4.569 6.244 1.00 0.00 O ATOM 175 CB GLN A 22 2.974 -4.496 8.951 1.00 0.00 C ATOM 176 CG GLN A 22 4.018 -3.546 9.544 1.00 0.00 C ATOM 177 CD GLN A 22 5.194 -4.357 10.091 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.592 -5.344 9.503 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.771 -3.981 11.199 1.00 0.00 N ATOM 0 H GLN A 22 1.251 -3.331 10.340 1.00 0.00 H new ATOM 0 HA GLN A 22 2.280 -2.897 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.576 -5.147 9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.436 -5.140 8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.366 -2.850 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.572 -2.950 10.340 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.437 -3.153 11.692 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.556 -4.515 11.572 1.00 0.00 H new ATOM 188 N ARG A 23 0.138 -5.374 8.062 1.00 0.00 N ATOM 189 CA ARG A 23 -0.750 -6.264 7.266 1.00 0.00 C ATOM 190 C ARG A 23 -1.724 -5.385 6.475 1.00 0.00 C ATOM 191 O ARG A 23 -2.349 -5.822 5.528 1.00 0.00 O ATOM 192 CB ARG A 23 -1.533 -7.186 8.203 1.00 0.00 C ATOM 193 CG ARG A 23 -1.187 -8.644 7.890 1.00 0.00 C ATOM 194 CD ARG A 23 -1.441 -9.507 9.128 1.00 0.00 C ATOM 195 NE ARG A 23 -2.543 -10.470 8.849 1.00 0.00 N ATOM 196 CZ ARG A 23 -2.519 -11.660 9.381 1.00 0.00 C ATOM 197 NH1 ARG A 23 -1.882 -11.862 10.502 1.00 0.00 N ATOM 198 NH2 ARG A 23 -3.133 -12.652 8.794 1.00 0.00 N ATOM 0 H ARG A 23 0.026 -5.438 9.074 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.157 -6.877 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.291 -6.958 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.604 -7.021 8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.790 -9.001 7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.143 -8.724 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.534 -10.046 9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.703 -8.875 9.977 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.316 -10.198 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.402 -11.089 10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.864 -12.793 10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.632 -12.496 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.113 -13.583 9.211 1.00 0.00 H new ATOM 212 N ALA A 24 -1.844 -4.142 6.860 1.00 0.00 N ATOM 213 CA ALA A 24 -2.759 -3.214 6.142 1.00 0.00 C ATOM 214 C ALA A 24 -2.098 -2.760 4.845 1.00 0.00 C ATOM 215 O ALA A 24 -2.636 -2.927 3.761 1.00 0.00 O ATOM 216 CB ALA A 24 -3.036 -1.994 7.023 1.00 0.00 C ATOM 0 H ALA A 24 -1.343 -3.729 7.647 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.696 -3.723 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.706 -1.312 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.501 -2.316 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.098 -1.484 7.243 1.00 0.00 H new ATOM 222 N LEU A 25 -0.926 -2.199 4.945 1.00 0.00 N ATOM 223 CA LEU A 25 -0.222 -1.745 3.734 1.00 0.00 C ATOM 224 C LEU A 25 0.051 -2.943 2.839 1.00 0.00 C ATOM 225 O LEU A 25 0.078 -2.837 1.639 1.00 0.00 O ATOM 226 CB LEU A 25 1.086 -1.109 4.174 1.00 0.00 C ATOM 227 CG LEU A 25 1.950 -0.791 2.951 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.338 0.688 2.971 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.216 -1.651 2.983 1.00 0.00 C ATOM 0 H LEU A 25 -0.430 -2.038 5.822 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.820 -1.024 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.886 -0.196 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.621 -1.783 4.842 1.00 0.00 H new ATOM 0 HG LEU A 25 1.387 -1.007 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.953 0.915 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.437 1.301 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.901 0.904 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.832 -1.425 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.779 -1.436 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.940 -2.705 2.968 1.00 0.00 H new ATOM 241 N GLN A 26 0.258 -4.081 3.415 1.00 0.00 N ATOM 242 CA GLN A 26 0.533 -5.286 2.582 1.00 0.00 C ATOM 243 C GLN A 26 -0.751 -5.769 1.896 1.00 0.00 C ATOM 244 O GLN A 26 -0.710 -6.394 0.854 1.00 0.00 O ATOM 245 CB GLN A 26 1.096 -6.403 3.463 1.00 0.00 C ATOM 246 CG GLN A 26 2.624 -6.349 3.443 1.00 0.00 C ATOM 247 CD GLN A 26 3.179 -7.723 3.068 1.00 0.00 C ATOM 248 OE1 GLN A 26 2.450 -8.696 3.031 1.00 0.00 O ATOM 249 NE2 GLN A 26 4.447 -7.848 2.785 1.00 0.00 N ATOM 0 H GLN A 26 0.251 -4.238 4.423 1.00 0.00 H new ATOM 0 HA GLN A 26 1.262 -5.022 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.731 -6.294 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.751 -7.373 3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.962 -5.601 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.000 -6.048 4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.059 -7.033 2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.826 -8.761 2.533 1.00 0.00 H new ATOM 258 N PHE A 27 -1.887 -5.483 2.464 1.00 0.00 N ATOM 259 CA PHE A 27 -3.172 -5.920 1.849 1.00 0.00 C ATOM 260 C PHE A 27 -3.438 -5.100 0.591 1.00 0.00 C ATOM 261 O PHE A 27 -3.599 -5.622 -0.502 1.00 0.00 O ATOM 262 CB PHE A 27 -4.282 -5.667 2.857 1.00 0.00 C ATOM 263 CG PHE A 27 -5.570 -6.347 2.452 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.692 -6.962 1.202 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.656 -6.339 3.338 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.900 -7.567 0.837 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.860 -6.946 2.974 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.985 -7.559 1.724 1.00 0.00 C ATOM 0 H PHE A 27 -1.983 -4.961 3.335 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.127 -6.976 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.972 -6.028 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.451 -4.594 2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.855 -6.970 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.562 -5.863 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.996 -8.040 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.695 -6.942 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.917 -8.026 1.442 1.00 0.00 H new ATOM 278 N ALA A 28 -3.476 -3.816 0.743 1.00 0.00 N ATOM 279 CA ALA A 28 -3.731 -2.932 -0.428 1.00 0.00 C ATOM 280 C ALA A 28 -2.514 -2.923 -1.343 1.00 0.00 C ATOM 281 O ALA A 28 -2.624 -3.061 -2.545 1.00 0.00 O ATOM 282 CB ALA A 28 -4.005 -1.518 0.064 1.00 0.00 C ATOM 0 H ALA A 28 -3.341 -3.332 1.630 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.593 -3.304 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.192 -0.866 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.878 -1.523 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.141 -1.152 0.618 1.00 0.00 H new ATOM 288 N ILE A 29 -1.353 -2.759 -0.787 1.00 0.00 N ATOM 289 CA ILE A 29 -0.132 -2.744 -1.630 1.00 0.00 C ATOM 290 C ILE A 29 -0.050 -4.065 -2.382 1.00 0.00 C ATOM 291 O ILE A 29 0.352 -4.127 -3.528 1.00 0.00 O ATOM 292 CB ILE A 29 1.114 -2.564 -0.742 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.247 -1.983 -1.571 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.555 -3.902 -0.167 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.687 -0.828 -2.375 1.00 0.00 C ATOM 0 H ILE A 29 -1.195 -2.635 0.213 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.175 -1.916 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 29 0.865 -1.889 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.057 -1.642 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.665 -2.742 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.436 -3.757 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.749 -4.323 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.796 -4.586 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.479 -0.389 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.890 -1.190 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.288 -0.073 -1.698 1.00 0.00 H new ATOM 307 N ALA A 30 -0.446 -5.118 -1.736 1.00 0.00 N ATOM 308 CA ALA A 30 -0.425 -6.443 -2.401 1.00 0.00 C ATOM 309 C ALA A 30 -1.303 -6.334 -3.639 1.00 0.00 C ATOM 310 O ALA A 30 -1.017 -6.900 -4.679 1.00 0.00 O ATOM 311 CB ALA A 30 -0.996 -7.501 -1.456 1.00 0.00 C ATOM 0 H ALA A 30 -0.784 -5.119 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 30 0.592 -6.731 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.980 -8.474 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.393 -7.542 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.023 -7.242 -1.198 1.00 0.00 H new ATOM 317 N GLU A 31 -2.368 -5.586 -3.534 1.00 0.00 N ATOM 318 CA GLU A 31 -3.265 -5.416 -4.704 1.00 0.00 C ATOM 319 C GLU A 31 -2.585 -4.520 -5.738 1.00 0.00 C ATOM 320 O GLU A 31 -2.872 -4.599 -6.915 1.00 0.00 O ATOM 321 CB GLU A 31 -4.589 -4.786 -4.269 1.00 0.00 C ATOM 322 CG GLU A 31 -5.558 -5.882 -3.812 1.00 0.00 C ATOM 323 CD GLU A 31 -5.060 -6.501 -2.504 1.00 0.00 C ATOM 324 OE1 GLU A 31 -3.978 -7.063 -2.509 1.00 0.00 O ATOM 325 OE2 GLU A 31 -5.771 -6.405 -1.519 1.00 0.00 O ATOM 0 H GLU A 31 -2.652 -5.088 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.468 -6.393 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.417 -4.078 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.024 -4.224 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.555 -5.464 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.641 -6.651 -4.580 1.00 0.00 H new ATOM 332 N TYR A 32 -1.673 -3.678 -5.325 1.00 0.00 N ATOM 333 CA TYR A 32 -0.986 -2.814 -6.313 1.00 0.00 C ATOM 334 C TYR A 32 -0.117 -3.703 -7.200 1.00 0.00 C ATOM 335 O TYR A 32 -0.135 -3.604 -8.414 1.00 0.00 O ATOM 336 CB TYR A 32 -0.118 -1.794 -5.585 1.00 0.00 C ATOM 337 CG TYR A 32 -0.059 -0.522 -6.387 1.00 0.00 C ATOM 338 CD1 TYR A 32 0.365 -0.538 -7.720 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.432 0.681 -5.789 1.00 0.00 C ATOM 340 CE1 TYR A 32 0.415 0.648 -8.444 1.00 0.00 C ATOM 341 CE2 TYR A 32 -0.385 1.862 -6.510 1.00 0.00 C ATOM 342 CZ TYR A 32 0.041 1.855 -7.843 1.00 0.00 C ATOM 343 OH TYR A 32 0.090 3.031 -8.562 1.00 0.00 O ATOM 0 H TYR A 32 -1.381 -3.556 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.714 -2.278 -6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.527 -1.593 -4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.886 -2.192 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.653 -1.469 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.759 0.692 -4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.743 0.638 -9.473 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.678 2.791 -6.043 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.773 3.491 -8.496 1.00 0.00 H new ATOM 353 N ASN A 33 0.632 -4.589 -6.599 1.00 0.00 N ATOM 354 CA ASN A 33 1.493 -5.508 -7.394 1.00 0.00 C ATOM 355 C ASN A 33 0.612 -6.365 -8.307 1.00 0.00 C ATOM 356 O ASN A 33 0.834 -6.443 -9.499 1.00 0.00 O ATOM 357 CB ASN A 33 2.281 -6.416 -6.447 1.00 0.00 C ATOM 358 CG ASN A 33 3.115 -7.404 -7.265 1.00 0.00 C ATOM 359 OD1 ASN A 33 2.581 -8.312 -7.871 1.00 0.00 O ATOM 360 ND2 ASN A 33 4.413 -7.266 -7.306 1.00 0.00 N ATOM 0 H ASN A 33 0.684 -4.715 -5.588 1.00 0.00 H new ATOM 0 HA ASN A 33 2.188 -4.925 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.930 -5.817 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.598 -6.956 -5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.979 -7.920 -7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.861 -6.504 -6.797 1.00 0.00 H new ATOM 367 N ARG A 34 -0.388 -7.012 -7.761 1.00 0.00 N ATOM 368 CA ARG A 34 -1.272 -7.856 -8.613 1.00 0.00 C ATOM 369 C ARG A 34 -2.072 -6.956 -9.553 1.00 0.00 C ATOM 370 O ARG A 34 -2.631 -7.403 -10.535 1.00 0.00 O ATOM 371 CB ARG A 34 -2.230 -8.654 -7.724 1.00 0.00 C ATOM 372 CG ARG A 34 -3.277 -7.712 -7.126 1.00 0.00 C ATOM 373 CD ARG A 34 -4.449 -7.566 -8.097 1.00 0.00 C ATOM 374 NE ARG A 34 -5.624 -8.320 -7.576 1.00 0.00 N ATOM 375 CZ ARG A 34 -6.606 -8.633 -8.378 1.00 0.00 C ATOM 376 NH1 ARG A 34 -7.100 -7.734 -9.185 1.00 0.00 N ATOM 377 NH2 ARG A 34 -7.093 -9.843 -8.372 1.00 0.00 N ATOM 0 H ARG A 34 -0.627 -6.991 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.666 -8.548 -9.198 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.719 -9.435 -8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.675 -9.151 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.629 -8.102 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.832 -6.737 -6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.704 -6.513 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.169 -7.943 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.661 -8.591 -6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.719 -6.788 -9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.867 -7.978 -9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.707 -10.545 -7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.860 -10.087 -8.998 1.00 0.00 H new ATOM 391 N ALA A 35 -2.129 -5.689 -9.255 1.00 0.00 N ATOM 392 CA ALA A 35 -2.890 -4.749 -10.127 1.00 0.00 C ATOM 393 C ALA A 35 -2.045 -4.374 -11.345 1.00 0.00 C ATOM 394 O ALA A 35 -2.544 -3.842 -12.318 1.00 0.00 O ATOM 395 CB ALA A 35 -3.234 -3.485 -9.335 1.00 0.00 C ATOM 0 H ALA A 35 -1.681 -5.262 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.808 -5.232 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.790 -2.797 -9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.842 -3.752 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.315 -3.005 -8.998 1.00 0.00 H new ATOM 401 N SER A 36 -0.772 -4.646 -11.303 1.00 0.00 N ATOM 402 CA SER A 36 0.102 -4.305 -12.460 1.00 0.00 C ATOM 403 C SER A 36 0.137 -5.485 -13.433 1.00 0.00 C ATOM 404 O SER A 36 0.552 -5.355 -14.568 1.00 0.00 O ATOM 405 CB SER A 36 1.519 -4.013 -11.960 1.00 0.00 C ATOM 406 OG SER A 36 2.337 -5.157 -12.155 1.00 0.00 O ATOM 0 H SER A 36 -0.298 -5.090 -10.517 1.00 0.00 H new ATOM 0 HA SER A 36 -0.291 -3.425 -12.968 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.936 -3.160 -12.495 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.495 -3.746 -10.903 1.00 0.00 H new ATOM 0 HG SER A 36 3.266 -4.936 -11.937 1.00 0.00 H new ATOM 412 N ASN A 37 -0.298 -6.637 -12.999 1.00 0.00 N ATOM 413 CA ASN A 37 -0.291 -7.824 -13.901 1.00 0.00 C ATOM 414 C ASN A 37 1.155 -8.219 -14.213 1.00 0.00 C ATOM 415 O ASN A 37 2.062 -7.942 -13.456 1.00 0.00 O ATOM 416 CB ASN A 37 -1.015 -7.482 -15.205 1.00 0.00 C ATOM 417 CG ASN A 37 -2.142 -6.485 -14.921 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.184 -5.418 -15.500 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.063 -6.790 -14.048 1.00 0.00 N ATOM 0 H ASN A 37 -0.658 -6.807 -12.060 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.799 -8.654 -13.410 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.312 -7.057 -15.922 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.422 -8.388 -15.655 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.818 -6.132 -13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.028 -7.686 -13.562 1.00 0.00 H new ATOM 426 N ASP A 38 1.371 -8.870 -15.323 1.00 0.00 N ATOM 427 CA ASP A 38 2.738 -9.293 -15.698 1.00 0.00 C ATOM 428 C ASP A 38 3.533 -8.099 -16.241 1.00 0.00 C ATOM 429 O ASP A 38 4.642 -8.248 -16.713 1.00 0.00 O ATOM 430 CB ASP A 38 2.595 -10.347 -16.780 1.00 0.00 C ATOM 431 CG ASP A 38 3.977 -10.823 -17.235 1.00 0.00 C ATOM 432 OD1 ASP A 38 4.926 -10.613 -16.498 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.061 -11.389 -18.312 1.00 0.00 O ATOM 0 H ASP A 38 0.644 -9.127 -15.991 1.00 0.00 H new ATOM 0 HA ASP A 38 3.270 -9.687 -14.832 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.017 -11.191 -16.403 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.045 -9.937 -17.627 1.00 0.00 H new ATOM 438 N LYS A 39 2.978 -6.918 -16.180 1.00 0.00 N ATOM 439 CA LYS A 39 3.707 -5.726 -16.693 1.00 0.00 C ATOM 440 C LYS A 39 5.008 -5.554 -15.916 1.00 0.00 C ATOM 441 O LYS A 39 6.088 -5.698 -16.446 1.00 0.00 O ATOM 442 CB LYS A 39 2.837 -4.482 -16.508 1.00 0.00 C ATOM 443 CG LYS A 39 1.482 -4.701 -17.184 1.00 0.00 C ATOM 444 CD LYS A 39 1.696 -5.007 -18.668 1.00 0.00 C ATOM 445 CE LYS A 39 1.172 -6.410 -18.981 1.00 0.00 C ATOM 446 NZ LYS A 39 2.290 -7.257 -19.486 1.00 0.00 N ATOM 0 H LYS A 39 2.052 -6.729 -15.797 1.00 0.00 H new ATOM 0 HA LYS A 39 3.930 -5.862 -17.751 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.697 -4.278 -15.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.333 -3.611 -16.937 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.953 -5.525 -16.704 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.859 -3.814 -17.071 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.178 -4.269 -19.281 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.756 -4.940 -18.915 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.739 -6.856 -18.086 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.378 -6.355 -19.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.904 -8.128 -19.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.823 -6.733 -20.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.924 -7.501 -18.698 1.00 0.00 H new ATOM 460 N TYR A 40 4.906 -5.232 -14.664 1.00 0.00 N ATOM 461 CA TYR A 40 6.105 -5.022 -13.834 1.00 0.00 C ATOM 462 C TYR A 40 5.699 -5.244 -12.372 1.00 0.00 C ATOM 463 O TYR A 40 4.745 -5.943 -12.093 1.00 0.00 O ATOM 464 CB TYR A 40 6.584 -3.593 -14.072 1.00 0.00 C ATOM 465 CG TYR A 40 5.413 -2.662 -13.969 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.015 -2.187 -12.718 1.00 0.00 C ATOM 467 CD2 TYR A 40 4.720 -2.286 -15.119 1.00 0.00 C ATOM 468 CE1 TYR A 40 3.916 -1.335 -12.615 1.00 0.00 C ATOM 469 CE2 TYR A 40 3.622 -1.432 -15.021 1.00 0.00 C ATOM 470 CZ TYR A 40 3.215 -0.955 -13.768 1.00 0.00 C ATOM 471 OH TYR A 40 2.127 -0.111 -13.669 1.00 0.00 O ATOM 0 H TYR A 40 4.021 -5.104 -14.174 1.00 0.00 H new ATOM 0 HA TYR A 40 6.914 -5.709 -14.082 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.345 -3.324 -13.339 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.046 -3.510 -15.056 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.558 -2.479 -11.831 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.033 -2.656 -16.084 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.605 -0.968 -11.648 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.085 -1.138 -15.911 1.00 0.00 H new ATOM 0 HH TYR A 40 1.757 0.052 -14.562 1.00 0.00 H new ATOM 481 N SER A 41 6.401 -4.679 -11.438 1.00 0.00 N ATOM 482 CA SER A 41 6.027 -4.895 -10.004 1.00 0.00 C ATOM 483 C SER A 41 5.804 -3.558 -9.283 1.00 0.00 C ATOM 484 O SER A 41 6.558 -2.622 -9.444 1.00 0.00 O ATOM 485 CB SER A 41 7.150 -5.662 -9.303 1.00 0.00 C ATOM 486 OG SER A 41 7.854 -6.447 -10.256 1.00 0.00 O ATOM 0 H SER A 41 7.212 -4.081 -11.595 1.00 0.00 H new ATOM 0 HA SER A 41 5.098 -5.464 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.832 -4.965 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.736 -6.302 -8.523 1.00 0.00 H new ATOM 0 HG SER A 41 8.665 -5.973 -10.536 1.00 0.00 H new ATOM 492 N SER A 42 4.779 -3.473 -8.466 1.00 0.00 N ATOM 493 CA SER A 42 4.517 -2.205 -7.716 1.00 0.00 C ATOM 494 C SER A 42 4.863 -2.425 -6.239 1.00 0.00 C ATOM 495 O SER A 42 4.422 -3.383 -5.635 1.00 0.00 O ATOM 496 CB SER A 42 3.034 -1.818 -7.838 1.00 0.00 C ATOM 497 OG SER A 42 2.437 -2.560 -8.892 1.00 0.00 O ATOM 0 H SER A 42 4.115 -4.226 -8.288 1.00 0.00 H new ATOM 0 HA SER A 42 5.128 -1.404 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.516 -2.018 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.941 -0.750 -8.033 1.00 0.00 H new ATOM 0 HG SER A 42 2.088 -1.944 -9.569 1.00 0.00 H new ATOM 503 N ARG A 43 5.653 -1.563 -5.642 1.00 0.00 N ATOM 504 CA ARG A 43 5.998 -1.782 -4.201 1.00 0.00 C ATOM 505 C ARG A 43 5.984 -0.450 -3.459 1.00 0.00 C ATOM 506 O ARG A 43 6.386 0.549 -3.988 1.00 0.00 O ATOM 507 CB ARG A 43 7.392 -2.405 -4.102 1.00 0.00 C ATOM 508 CG ARG A 43 7.268 -3.930 -4.087 1.00 0.00 C ATOM 509 CD ARG A 43 8.662 -4.557 -4.016 1.00 0.00 C ATOM 510 NE ARG A 43 9.230 -4.355 -2.654 1.00 0.00 N ATOM 511 CZ ARG A 43 10.493 -4.594 -2.434 1.00 0.00 C ATOM 512 NH1 ARG A 43 11.177 -5.314 -3.281 1.00 0.00 N ATOM 513 NH2 ARG A 43 11.073 -4.116 -1.367 1.00 0.00 N ATOM 0 H ARG A 43 6.065 -0.737 -6.077 1.00 0.00 H new ATOM 0 HA ARG A 43 5.264 -2.451 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.005 -2.087 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.893 -2.061 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.671 -4.248 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.750 -4.272 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.605 -5.621 -4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.314 -4.105 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 43 8.632 -4.030 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.724 -5.689 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.165 -5.501 -3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.538 -3.555 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.061 -4.304 -1.196 1.00 0.00 H new ATOM 527 N VAL A 44 5.522 -0.428 -2.235 1.00 0.00 N ATOM 528 CA VAL A 44 5.487 0.859 -1.472 1.00 0.00 C ATOM 529 C VAL A 44 6.829 1.583 -1.592 1.00 0.00 C ATOM 530 O VAL A 44 7.741 1.128 -2.252 1.00 0.00 O ATOM 531 CB VAL A 44 5.122 0.576 -0.013 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.367 0.578 0.877 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.145 1.655 0.460 1.00 0.00 C ATOM 0 H VAL A 44 5.168 -1.241 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 44 4.725 1.516 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 44 4.664 -0.411 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.078 0.374 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.059 -0.191 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.852 1.553 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.873 1.469 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.617 2.634 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.248 1.631 -0.159 1.00 0.00 H new ATOM 543 N VAL A 45 6.951 2.721 -0.971 1.00 0.00 N ATOM 544 CA VAL A 45 8.217 3.485 -1.073 1.00 0.00 C ATOM 545 C VAL A 45 8.391 4.305 0.205 1.00 0.00 C ATOM 546 O VAL A 45 9.164 3.966 1.078 1.00 0.00 O ATOM 547 CB VAL A 45 8.153 4.438 -2.278 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.306 4.192 -3.218 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.921 4.206 -3.112 1.00 0.00 C ATOM 0 H VAL A 45 6.227 3.153 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 45 9.054 2.799 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 45 8.166 5.443 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.240 4.878 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.246 4.355 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.267 3.165 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.915 4.900 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.922 3.182 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.033 4.368 -2.502 1.00 0.00 H new ATOM 559 N ARG A 46 7.657 5.378 0.317 1.00 0.00 N ATOM 560 CA ARG A 46 7.747 6.229 1.533 1.00 0.00 C ATOM 561 C ARG A 46 6.336 6.454 2.084 1.00 0.00 C ATOM 562 O ARG A 46 5.625 7.340 1.650 1.00 0.00 O ATOM 563 CB ARG A 46 8.377 7.575 1.170 1.00 0.00 C ATOM 564 CG ARG A 46 9.633 7.339 0.331 1.00 0.00 C ATOM 565 CD ARG A 46 9.336 7.661 -1.136 1.00 0.00 C ATOM 566 NE ARG A 46 10.201 8.790 -1.579 1.00 0.00 N ATOM 567 CZ ARG A 46 11.399 8.552 -2.041 1.00 0.00 C ATOM 568 NH1 ARG A 46 12.187 7.723 -1.412 1.00 0.00 N ATOM 569 NH2 ARG A 46 11.808 9.144 -3.128 1.00 0.00 N ATOM 0 H ARG A 46 6.995 5.702 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 46 8.364 5.737 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.664 8.184 0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.630 8.127 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.448 7.965 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.959 6.303 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.518 6.784 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.285 7.924 -1.257 1.00 0.00 H new ATOM 0 HE ARG A 46 9.858 9.749 -1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.867 7.262 -0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.123 7.536 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.192 9.793 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.744 8.958 -3.489 1.00 0.00 H new ATOM 583 N VAL A 47 5.926 5.659 3.034 1.00 0.00 N ATOM 584 CA VAL A 47 4.570 5.818 3.612 1.00 0.00 C ATOM 585 C VAL A 47 4.298 7.294 3.873 1.00 0.00 C ATOM 586 O VAL A 47 5.176 8.128 3.791 1.00 0.00 O ATOM 587 CB VAL A 47 4.494 5.002 4.895 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.475 5.603 5.860 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.091 3.567 4.556 1.00 0.00 C ATOM 0 H VAL A 47 6.480 4.902 3.435 1.00 0.00 H new ATOM 0 HA VAL A 47 3.809 5.457 2.920 1.00 0.00 H new ATOM 0 HB VAL A 47 5.472 5.012 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.438 5.004 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.768 6.623 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.491 5.612 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.035 2.979 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.117 3.569 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.833 3.129 3.888 1.00 0.00 H new ATOM 599 N ILE A 48 3.073 7.619 4.153 1.00 0.00 N ATOM 600 CA ILE A 48 2.712 9.031 4.381 1.00 0.00 C ATOM 601 C ILE A 48 1.679 9.091 5.491 1.00 0.00 C ATOM 602 O ILE A 48 1.811 9.818 6.456 1.00 0.00 O ATOM 603 CB ILE A 48 2.072 9.532 3.097 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.143 9.818 2.046 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.264 10.807 3.361 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.464 9.967 0.685 1.00 0.00 C ATOM 0 H ILE A 48 2.301 6.957 4.234 1.00 0.00 H new ATOM 0 HA ILE A 48 3.582 9.628 4.653 1.00 0.00 H new ATOM 0 HB ILE A 48 1.402 8.756 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.687 10.728 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.872 9.008 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.813 11.151 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.480 10.597 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.924 11.581 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.216 10.172 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.939 9.044 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.752 10.791 0.722 1.00 0.00 H new ATOM 618 N SER A 49 0.634 8.337 5.334 1.00 0.00 N ATOM 619 CA SER A 49 -0.445 8.349 6.358 1.00 0.00 C ATOM 620 C SER A 49 -0.896 6.923 6.679 1.00 0.00 C ATOM 621 O SER A 49 -1.715 6.349 5.991 1.00 0.00 O ATOM 622 CB SER A 49 -1.637 9.147 5.826 1.00 0.00 C ATOM 623 OG SER A 49 -2.675 9.152 6.793 1.00 0.00 O ATOM 0 H SER A 49 0.478 7.713 4.543 1.00 0.00 H new ATOM 0 HA SER A 49 -0.061 8.810 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.332 10.169 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.995 8.708 4.895 1.00 0.00 H new ATOM 0 HG SER A 49 -3.437 9.665 6.452 1.00 0.00 H new ATOM 629 N ALA A 50 -0.382 6.359 7.735 1.00 0.00 N ATOM 630 CA ALA A 50 -0.795 4.983 8.121 1.00 0.00 C ATOM 631 C ALA A 50 -1.468 5.050 9.496 1.00 0.00 C ATOM 632 O ALA A 50 -0.808 5.109 10.515 1.00 0.00 O ATOM 633 CB ALA A 50 0.429 4.074 8.193 1.00 0.00 C ATOM 0 H ALA A 50 0.308 6.793 8.348 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.487 4.580 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.119 3.068 8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.917 4.043 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.127 4.461 8.936 1.00 0.00 H new ATOM 639 N LYS A 51 -2.771 5.069 9.535 1.00 0.00 N ATOM 640 CA LYS A 51 -3.477 5.164 10.850 1.00 0.00 C ATOM 641 C LYS A 51 -4.599 4.133 10.929 1.00 0.00 C ATOM 642 O LYS A 51 -5.012 3.560 9.940 1.00 0.00 O ATOM 643 CB LYS A 51 -4.067 6.566 11.006 1.00 0.00 C ATOM 644 CG LYS A 51 -2.990 7.611 10.701 1.00 0.00 C ATOM 645 CD LYS A 51 -3.283 8.893 11.483 1.00 0.00 C ATOM 646 CE LYS A 51 -2.814 10.104 10.674 1.00 0.00 C ATOM 647 NZ LYS A 51 -1.613 10.700 11.324 1.00 0.00 N ATOM 0 H LYS A 51 -3.379 5.023 8.717 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.762 4.968 11.649 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.913 6.693 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.444 6.702 12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.007 7.225 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.966 7.822 9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.351 8.971 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.775 8.868 12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.577 9.803 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.612 10.844 10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.294 11.523 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.854 11.001 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.852 9.993 11.362 1.00 0.00 H new ATOM 661 N ARG A 52 -5.097 3.908 12.111 1.00 0.00 N ATOM 662 CA ARG A 52 -6.202 2.921 12.286 1.00 0.00 C ATOM 663 C ARG A 52 -7.312 3.530 13.144 1.00 0.00 C ATOM 664 O ARG A 52 -7.389 3.287 14.332 1.00 0.00 O ATOM 665 CB ARG A 52 -5.675 1.667 12.967 1.00 0.00 C ATOM 666 CG ARG A 52 -4.904 0.816 11.959 1.00 0.00 C ATOM 667 CD ARG A 52 -3.963 -0.130 12.708 1.00 0.00 C ATOM 668 NE ARG A 52 -3.233 0.628 13.762 1.00 0.00 N ATOM 669 CZ ARG A 52 -3.012 0.079 14.924 1.00 0.00 C ATOM 670 NH1 ARG A 52 -2.600 -1.158 14.993 1.00 0.00 N ATOM 671 NH2 ARG A 52 -3.204 0.766 16.018 1.00 0.00 N ATOM 0 H ARG A 52 -4.787 4.366 12.968 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.600 2.662 11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.026 1.939 13.799 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.503 1.093 13.384 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.598 0.244 11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.334 1.457 11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.531 -0.944 13.158 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.255 -0.581 12.013 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.906 1.576 13.575 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.451 -1.694 14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.427 -1.588 15.902 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.527 1.732 15.964 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.031 0.337 16.927 1.00 0.00 H new ATOM 685 N GLN A 53 -8.183 4.314 12.564 1.00 0.00 N ATOM 686 CA GLN A 53 -9.282 4.916 13.371 1.00 0.00 C ATOM 687 C GLN A 53 -9.920 3.811 14.209 1.00 0.00 C ATOM 688 O GLN A 53 -9.731 2.645 13.942 1.00 0.00 O ATOM 689 CB GLN A 53 -10.327 5.534 12.441 1.00 0.00 C ATOM 690 CG GLN A 53 -10.208 7.059 12.486 1.00 0.00 C ATOM 691 CD GLN A 53 -11.144 7.677 11.446 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.918 6.981 10.819 1.00 0.00 O ATOM 693 NE2 GLN A 53 -11.105 8.963 11.233 1.00 0.00 N ATOM 0 H GLN A 53 -8.181 4.561 11.574 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.889 5.698 14.020 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.180 5.177 11.422 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.328 5.227 12.745 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.461 7.425 13.481 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.179 7.360 12.288 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.455 9.548 11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.724 9.384 10.540 1.00 0.00 H new ATOM 702 N LEU A 54 -10.671 4.148 15.220 1.00 0.00 N ATOM 703 CA LEU A 54 -11.283 3.063 16.038 1.00 0.00 C ATOM 704 C LEU A 54 -12.712 3.408 16.475 1.00 0.00 C ATOM 705 O LEU A 54 -12.968 3.788 17.597 1.00 0.00 O ATOM 706 CB LEU A 54 -10.388 2.718 17.252 1.00 0.00 C ATOM 707 CG LEU A 54 -10.276 3.860 18.285 1.00 0.00 C ATOM 708 CD1 LEU A 54 -10.547 5.226 17.654 1.00 0.00 C ATOM 709 CD2 LEU A 54 -11.262 3.611 19.429 1.00 0.00 C ATOM 0 H LEU A 54 -10.884 5.102 15.511 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.353 2.177 15.406 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.786 1.831 17.745 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.390 2.463 16.896 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.255 3.870 18.667 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.458 6.002 18.414 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.823 5.411 16.861 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.554 5.241 17.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.184 4.417 20.159 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.277 3.577 19.034 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.028 2.661 19.911 1.00 0.00 H new ATOM 721 N VAL A 55 -13.652 3.215 15.594 1.00 0.00 N ATOM 722 CA VAL A 55 -15.076 3.457 15.946 1.00 0.00 C ATOM 723 C VAL A 55 -15.705 2.071 16.091 1.00 0.00 C ATOM 724 O VAL A 55 -15.022 1.144 16.475 1.00 0.00 O ATOM 725 CB VAL A 55 -15.753 4.265 14.827 1.00 0.00 C ATOM 726 CG1 VAL A 55 -16.045 3.360 13.628 1.00 0.00 C ATOM 727 CG2 VAL A 55 -17.057 4.876 15.348 1.00 0.00 C ATOM 0 H VAL A 55 -13.493 2.897 14.638 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.188 4.032 16.865 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.083 5.064 14.510 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.525 3.942 12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -15.111 2.941 13.252 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.707 2.551 13.936 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.534 5.448 14.552 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.727 4.080 15.675 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.840 5.535 16.188 1.00 0.00 H new ATOM 737 N SER A 56 -16.967 1.886 15.789 1.00 0.00 N ATOM 738 CA SER A 56 -17.538 0.510 15.919 1.00 0.00 C ATOM 739 C SER A 56 -16.528 -0.495 15.357 1.00 0.00 C ATOM 740 O SER A 56 -16.451 -1.623 15.789 1.00 0.00 O ATOM 741 CB SER A 56 -18.845 0.393 15.120 1.00 0.00 C ATOM 742 OG SER A 56 -18.583 0.664 13.752 1.00 0.00 O ATOM 0 H SER A 56 -17.612 2.607 15.466 1.00 0.00 H new ATOM 0 HA SER A 56 -17.744 0.307 16.970 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.264 -0.607 15.231 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.585 1.094 15.506 1.00 0.00 H new ATOM 0 HG SER A 56 -19.414 0.589 13.239 1.00 0.00 H new ATOM 748 N GLY A 57 -15.737 -0.073 14.413 1.00 0.00 N ATOM 749 CA GLY A 57 -14.708 -0.968 13.820 1.00 0.00 C ATOM 750 C GLY A 57 -13.463 -0.114 13.515 1.00 0.00 C ATOM 751 O GLY A 57 -13.543 1.099 13.501 1.00 0.00 O ATOM 0 H GLY A 57 -15.761 0.869 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.459 -1.774 14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.085 -1.433 12.909 1.00 0.00 H new ATOM 755 N ILE A 58 -12.310 -0.702 13.278 1.00 0.00 N ATOM 756 CA ILE A 58 -11.118 0.147 12.993 1.00 0.00 C ATOM 757 C ILE A 58 -11.071 0.503 11.516 1.00 0.00 C ATOM 758 O ILE A 58 -11.430 -0.279 10.666 1.00 0.00 O ATOM 759 CB ILE A 58 -9.842 -0.620 13.331 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.734 -0.775 14.836 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.613 0.124 12.801 1.00 0.00 C ATOM 762 CD1 ILE A 58 -10.325 -2.121 15.206 1.00 0.00 C ATOM 0 H ILE A 58 -12.150 -1.709 13.270 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.191 1.052 13.597 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.884 -1.602 12.860 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.693 -0.715 15.153 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.268 0.029 15.342 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.712 -0.437 13.051 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.688 0.226 11.718 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.562 1.113 13.256 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.262 -2.262 16.285 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.369 -2.157 14.896 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.770 -2.913 14.703 1.00 0.00 H new ATOM 774 N LYS A 59 -10.575 1.657 11.201 1.00 0.00 N ATOM 775 CA LYS A 59 -10.432 2.021 9.774 1.00 0.00 C ATOM 776 C LYS A 59 -8.948 2.188 9.546 1.00 0.00 C ATOM 777 O LYS A 59 -8.269 2.880 10.271 1.00 0.00 O ATOM 778 CB LYS A 59 -11.165 3.317 9.439 1.00 0.00 C ATOM 779 CG LYS A 59 -12.246 3.593 10.489 1.00 0.00 C ATOM 780 CD LYS A 59 -13.474 4.203 9.809 1.00 0.00 C ATOM 781 CE LYS A 59 -13.067 5.478 9.068 1.00 0.00 C ATOM 782 NZ LYS A 59 -13.442 5.359 7.631 1.00 0.00 N ATOM 0 H LYS A 59 -10.263 2.363 11.868 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.868 1.253 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.458 4.146 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.617 3.244 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.520 2.668 10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.863 4.273 11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.909 3.488 9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.239 4.430 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.559 6.343 9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.993 5.639 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.165 6.226 7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.953 4.543 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.470 5.225 7.550 1.00 0.00 H new ATOM 796 N TYR A 60 -8.447 1.521 8.578 1.00 0.00 N ATOM 797 CA TYR A 60 -6.983 1.567 8.313 1.00 0.00 C ATOM 798 C TYR A 60 -6.675 2.521 7.173 1.00 0.00 C ATOM 799 O TYR A 60 -6.666 2.138 6.025 1.00 0.00 O ATOM 800 CB TYR A 60 -6.501 0.175 7.942 1.00 0.00 C ATOM 801 CG TYR A 60 -6.192 -0.632 9.196 1.00 0.00 C ATOM 802 CD1 TYR A 60 -7.208 -0.935 10.119 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.888 -1.091 9.432 1.00 0.00 C ATOM 804 CE1 TYR A 60 -6.912 -1.684 11.260 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.600 -1.840 10.573 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.611 -2.136 11.490 1.00 0.00 C ATOM 807 OH TYR A 60 -5.326 -2.878 12.619 1.00 0.00 O ATOM 0 H TYR A 60 -8.983 0.932 7.940 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.474 1.917 9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.262 -0.335 7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.610 0.246 7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.216 -0.589 9.946 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.103 -0.863 8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.694 -1.915 11.968 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.594 -2.192 10.748 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.375 -3.113 12.625 1.00 0.00 H new ATOM 817 N ILE A 61 -6.385 3.753 7.465 1.00 0.00 N ATOM 818 CA ILE A 61 -6.060 4.678 6.367 1.00 0.00 C ATOM 819 C ILE A 61 -4.595 4.485 6.015 1.00 0.00 C ATOM 820 O ILE A 61 -3.749 4.339 6.869 1.00 0.00 O ATOM 821 CB ILE A 61 -6.270 6.115 6.803 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.296 6.184 7.940 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.762 6.944 5.616 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.523 5.348 7.575 1.00 0.00 C ATOM 0 H ILE A 61 -6.360 4.150 8.404 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.705 4.473 5.513 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.322 6.516 7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.854 5.815 8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.588 7.219 8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.913 7.977 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.020 6.912 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.704 6.535 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.251 5.398 8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.970 5.738 6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.224 4.311 7.420 1.00 0.00 H new ATOM 836 N LEU A 62 -4.299 4.437 4.771 1.00 0.00 N ATOM 837 CA LEU A 62 -2.934 4.212 4.338 1.00 0.00 C ATOM 838 C LEU A 62 -2.601 5.176 3.218 1.00 0.00 C ATOM 839 O LEU A 62 -3.414 5.469 2.369 1.00 0.00 O ATOM 840 CB LEU A 62 -2.928 2.824 3.777 1.00 0.00 C ATOM 841 CG LEU A 62 -1.567 2.155 3.871 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.517 3.046 3.238 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.227 1.897 5.323 1.00 0.00 C ATOM 0 H LEU A 62 -4.974 4.549 4.015 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.219 4.347 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.662 2.219 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.239 2.858 2.733 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.591 1.204 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.458 2.564 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.766 3.214 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.487 4.002 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.251 1.417 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.204 2.843 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.982 1.245 5.763 1.00 0.00 H new ATOM 855 N GLN A 63 -1.403 5.618 3.175 1.00 0.00 N ATOM 856 CA GLN A 63 -0.973 6.491 2.080 1.00 0.00 C ATOM 857 C GLN A 63 0.456 6.161 1.800 1.00 0.00 C ATOM 858 O GLN A 63 1.222 5.848 2.686 1.00 0.00 O ATOM 859 CB GLN A 63 -1.021 7.944 2.435 1.00 0.00 C ATOM 860 CG GLN A 63 -2.350 8.564 2.011 1.00 0.00 C ATOM 861 CD GLN A 63 -2.391 8.686 0.487 1.00 0.00 C ATOM 862 OE1 GLN A 63 -1.541 8.159 -0.200 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.353 9.369 -0.074 1.00 0.00 N ATOM 0 H GLN A 63 -0.684 5.408 3.867 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.642 6.328 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.885 8.065 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.199 8.469 1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.179 7.948 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.468 9.546 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.068 9.812 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.389 9.459 -1.089 1.00 0.00 H new ATOM 872 N VAL A 64 0.817 6.279 0.591 1.00 0.00 N ATOM 873 CA VAL A 64 2.227 6.004 0.207 1.00 0.00 C ATOM 874 C VAL A 64 2.460 6.500 -1.215 1.00 0.00 C ATOM 875 O VAL A 64 1.618 6.337 -2.072 1.00 0.00 O ATOM 876 CB VAL A 64 2.554 4.477 0.238 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.019 3.807 1.503 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.939 3.791 -0.970 1.00 0.00 C ATOM 0 H VAL A 64 0.204 6.557 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 64 2.869 6.516 0.924 1.00 0.00 H new ATOM 0 HB VAL A 64 3.639 4.378 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.267 2.746 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.471 4.271 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.936 3.926 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.171 2.726 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.858 3.927 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.346 4.227 -1.882 1.00 0.00 H new ATOM 888 N GLU A 65 3.607 7.056 -1.483 1.00 0.00 N ATOM 889 CA GLU A 65 3.905 7.486 -2.872 1.00 0.00 C ATOM 890 C GLU A 65 4.408 6.233 -3.585 1.00 0.00 C ATOM 891 O GLU A 65 5.565 6.102 -3.871 1.00 0.00 O ATOM 892 CB GLU A 65 4.989 8.567 -2.871 1.00 0.00 C ATOM 893 CG GLU A 65 4.567 9.711 -1.947 1.00 0.00 C ATOM 894 CD GLU A 65 4.278 10.961 -2.781 1.00 0.00 C ATOM 895 OE1 GLU A 65 3.211 11.023 -3.368 1.00 0.00 O ATOM 896 OE2 GLU A 65 5.129 11.833 -2.818 1.00 0.00 O ATOM 0 H GLU A 65 4.347 7.230 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 65 3.029 7.909 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.937 8.146 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.145 8.941 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.681 9.426 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.356 9.918 -1.223 1.00 0.00 H new ATOM 903 N ILE A 66 3.515 5.306 -3.798 1.00 0.00 N ATOM 904 CA ILE A 66 3.825 3.972 -4.408 1.00 0.00 C ATOM 905 C ILE A 66 5.122 3.924 -5.168 1.00 0.00 C ATOM 906 O ILE A 66 5.580 4.864 -5.792 1.00 0.00 O ATOM 907 CB ILE A 66 2.669 3.506 -5.300 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.343 4.122 -4.856 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.515 1.986 -5.233 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.912 3.491 -3.534 1.00 0.00 C ATOM 0 H ILE A 66 2.530 5.423 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 66 3.947 3.288 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 66 2.906 3.824 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.451 5.200 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.580 3.958 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.689 1.675 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.436 1.512 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.310 1.686 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.034 3.928 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.789 2.416 -3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.673 3.678 -2.776 1.00 0.00 H new ATOM 922 N GLY A 67 5.692 2.756 -5.062 1.00 0.00 N ATOM 923 CA GLY A 67 6.971 2.426 -5.667 1.00 0.00 C ATOM 924 C GLY A 67 6.692 1.641 -6.954 1.00 0.00 C ATOM 925 O GLY A 67 5.564 1.269 -7.210 1.00 0.00 O ATOM 0 H GLY A 67 5.278 1.983 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.535 3.333 -5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.576 1.833 -4.981 1.00 0.00 H new ATOM 929 N ARG A 68 7.681 1.319 -7.747 1.00 0.00 N ATOM 930 CA ARG A 68 7.381 0.550 -8.974 1.00 0.00 C ATOM 931 C ARG A 68 8.671 0.000 -9.482 1.00 0.00 C ATOM 932 O ARG A 68 9.738 0.444 -9.106 1.00 0.00 O ATOM 933 CB ARG A 68 6.753 1.438 -10.047 1.00 0.00 C ATOM 934 CG ARG A 68 5.749 0.618 -10.859 1.00 0.00 C ATOM 935 CD ARG A 68 4.785 1.559 -11.583 1.00 0.00 C ATOM 936 NE ARG A 68 5.045 1.505 -13.050 1.00 0.00 N ATOM 937 CZ ARG A 68 4.371 2.275 -13.860 1.00 0.00 C ATOM 938 NH1 ARG A 68 3.235 2.793 -13.477 1.00 0.00 N ATOM 939 NH2 ARG A 68 4.832 2.523 -15.056 1.00 0.00 N ATOM 0 H ARG A 68 8.662 1.553 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 68 6.670 -0.243 -8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.254 2.290 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.527 1.839 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.274 -0.007 -11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.195 -0.052 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.754 1.272 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.912 2.578 -11.218 1.00 0.00 H new ATOM 0 HE ARG A 68 5.749 0.867 -13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.873 2.596 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.709 3.395 -14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.718 2.115 -15.356 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.307 3.125 -15.690 1.00 0.00 H new ATOM 953 N THR A 69 8.609 -0.993 -10.292 1.00 0.00 N ATOM 954 CA THR A 69 9.838 -1.584 -10.748 1.00 0.00 C ATOM 955 C THR A 69 9.612 -2.183 -12.131 1.00 0.00 C ATOM 956 O THR A 69 9.290 -3.346 -12.269 1.00 0.00 O ATOM 957 CB THR A 69 10.237 -2.635 -9.722 1.00 0.00 C ATOM 958 OG1 THR A 69 9.675 -3.894 -10.066 1.00 0.00 O ATOM 959 CG2 THR A 69 9.743 -2.204 -8.326 1.00 0.00 C ATOM 0 H THR A 69 7.752 -1.413 -10.652 1.00 0.00 H new ATOM 0 HA THR A 69 10.642 -0.854 -10.839 1.00 0.00 H new ATOM 0 HB THR A 69 11.323 -2.728 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.030 -3.776 -10.794 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.028 -2.956 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.193 -1.248 -8.060 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.658 -2.103 -8.339 1.00 0.00 H new ATOM 967 N THR A 70 9.734 -1.365 -13.148 1.00 0.00 N ATOM 968 CA THR A 70 9.497 -1.839 -14.551 1.00 0.00 C ATOM 969 C THR A 70 10.016 -3.275 -14.726 1.00 0.00 C ATOM 970 O THR A 70 9.363 -4.214 -14.321 1.00 0.00 O ATOM 971 CB THR A 70 10.172 -0.898 -15.573 1.00 0.00 C ATOM 972 OG1 THR A 70 10.243 -1.554 -16.831 1.00 0.00 O ATOM 973 CG2 THR A 70 11.590 -0.505 -15.131 1.00 0.00 C ATOM 0 H THR A 70 9.990 -0.381 -13.067 1.00 0.00 H new ATOM 0 HA THR A 70 8.423 -1.829 -14.735 1.00 0.00 H new ATOM 0 HB THR A 70 9.575 0.011 -15.644 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.669 -0.962 -17.485 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.033 0.157 -15.875 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.543 0.008 -14.171 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.202 -1.402 -15.033 1.00 0.00 H new ATOM 1125 N GLU A 82 13.661 -1.975 -11.738 1.00 0.00 N ATOM 1126 CA GLU A 82 13.285 -0.888 -10.789 1.00 0.00 C ATOM 1127 C GLU A 82 12.348 0.097 -11.492 1.00 0.00 C ATOM 1128 O GLU A 82 12.136 0.013 -12.686 1.00 0.00 O ATOM 1129 CB GLU A 82 14.543 -0.153 -10.324 1.00 0.00 C ATOM 1130 CG GLU A 82 15.400 0.209 -11.536 1.00 0.00 C ATOM 1131 CD GLU A 82 16.816 -0.336 -11.342 1.00 0.00 C ATOM 1132 OE1 GLU A 82 17.367 -0.133 -10.273 1.00 0.00 O ATOM 1133 OE2 GLU A 82 17.326 -0.946 -12.268 1.00 0.00 O ATOM 0 HA GLU A 82 12.780 -1.319 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.269 0.749 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.111 -0.781 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.960 -0.207 -12.443 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.430 1.291 -11.663 1.00 0.00 H new ATOM 1140 N PHE A 83 11.758 1.003 -10.743 1.00 0.00 N ATOM 1141 CA PHE A 83 10.806 2.003 -11.339 1.00 0.00 C ATOM 1142 C PHE A 83 11.237 2.306 -12.778 1.00 0.00 C ATOM 1143 O PHE A 83 10.532 2.031 -13.729 1.00 0.00 O ATOM 1144 CB PHE A 83 10.895 3.303 -10.563 1.00 0.00 C ATOM 1145 CG PHE A 83 9.633 3.628 -9.782 1.00 0.00 C ATOM 1146 CD1 PHE A 83 8.419 3.942 -10.431 1.00 0.00 C ATOM 1147 CD2 PHE A 83 9.695 3.675 -8.392 1.00 0.00 C ATOM 1148 CE1 PHE A 83 7.283 4.284 -9.680 1.00 0.00 C ATOM 1149 CE2 PHE A 83 8.580 4.012 -7.660 1.00 0.00 C ATOM 1150 CZ PHE A 83 7.372 4.316 -8.272 1.00 0.00 C ATOM 0 H PHE A 83 11.896 1.094 -9.736 1.00 0.00 H new ATOM 0 HA PHE A 83 9.795 1.598 -11.307 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.737 3.248 -9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.104 4.118 -11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.364 3.919 -11.509 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.622 3.446 -7.887 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.352 4.520 -10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.646 4.041 -6.582 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.509 4.574 -7.677 1.00 0.00 H new ATOM 1160 N HIS A 84 12.418 2.859 -12.927 1.00 0.00 N ATOM 1161 CA HIS A 84 12.944 3.180 -14.282 1.00 0.00 C ATOM 1162 C HIS A 84 14.466 3.290 -14.214 1.00 0.00 C ATOM 1163 O HIS A 84 15.069 4.209 -14.731 1.00 0.00 O ATOM 1164 CB HIS A 84 12.352 4.497 -14.782 1.00 0.00 C ATOM 1165 CG HIS A 84 10.853 4.383 -14.874 1.00 0.00 C ATOM 1166 ND1 HIS A 84 9.860 4.486 -13.929 1.00 0.00 N flip ATOM 1167 CD2 HIS A 84 10.207 4.140 -16.076 1.00 0.00 C flip ATOM 1168 CE1 HIS A 84 8.619 4.311 -14.534 1.00 0.00 C flip ATOM 1169 NE2 HIS A 84 8.885 4.106 -15.827 1.00 0.00 N flip ATOM 0 H HIS A 84 13.042 3.102 -12.157 1.00 0.00 H new ATOM 0 HA HIS A 84 12.662 2.387 -14.975 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.623 5.308 -14.106 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.767 4.745 -15.759 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.679 4.003 -17.038 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.649 4.336 -14.060 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.173 3.943 -16.539 1.00 0.00 H new ATOM 1177 N ASP A 85 15.076 2.329 -13.596 1.00 0.00 N ATOM 1178 CA ASP A 85 16.565 2.299 -13.484 1.00 0.00 C ATOM 1179 C ASP A 85 17.132 3.613 -12.920 1.00 0.00 C ATOM 1180 O ASP A 85 18.305 3.889 -13.080 1.00 0.00 O ATOM 1181 CB ASP A 85 17.159 2.055 -14.869 1.00 0.00 C ATOM 1182 CG ASP A 85 16.283 1.055 -15.626 1.00 0.00 C ATOM 1183 OD1 ASP A 85 15.322 1.486 -16.241 1.00 0.00 O ATOM 1184 OD2 ASP A 85 16.587 -0.126 -15.575 1.00 0.00 O ATOM 0 H ASP A 85 14.602 1.543 -13.152 1.00 0.00 H new ATOM 0 HA ASP A 85 16.833 1.499 -12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.221 2.993 -15.421 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.175 1.671 -14.779 1.00 0.00 H new ATOM 1189 N GLU A 86 16.349 4.428 -12.260 1.00 0.00 N ATOM 1190 CA GLU A 86 16.928 5.699 -11.711 1.00 0.00 C ATOM 1191 C GLU A 86 15.822 6.658 -11.246 1.00 0.00 C ATOM 1192 O GLU A 86 14.686 6.528 -11.645 1.00 0.00 O ATOM 1193 CB GLU A 86 17.757 6.387 -12.804 1.00 0.00 C ATOM 1194 CG GLU A 86 17.047 6.254 -14.154 1.00 0.00 C ATOM 1195 CD GLU A 86 17.630 7.267 -15.140 1.00 0.00 C ATOM 1196 OE1 GLU A 86 17.295 8.434 -15.028 1.00 0.00 O ATOM 1197 OE2 GLU A 86 18.400 6.857 -15.993 1.00 0.00 O ATOM 0 H GLU A 86 15.357 4.278 -12.078 1.00 0.00 H new ATOM 0 HA GLU A 86 17.553 5.449 -10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.897 7.440 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.749 5.938 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.167 5.242 -14.542 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.977 6.423 -14.032 1.00 0.00 H new ATOM 1204 N PRO A 87 16.215 7.617 -10.433 1.00 0.00 N ATOM 1205 CA PRO A 87 15.302 8.678 -9.877 1.00 0.00 C ATOM 1206 C PRO A 87 14.853 9.602 -11.000 1.00 0.00 C ATOM 1207 O PRO A 87 13.716 10.029 -11.063 1.00 0.00 O ATOM 1208 CB PRO A 87 16.185 9.407 -8.870 1.00 0.00 C ATOM 1209 CG PRO A 87 17.623 9.146 -9.281 1.00 0.00 C ATOM 1210 CD PRO A 87 17.636 7.785 -9.977 1.00 0.00 C ATOM 0 HA PRO A 87 14.392 8.289 -9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.971 10.476 -8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.000 9.044 -7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.983 9.927 -9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.280 9.143 -8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.332 7.769 -10.816 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.937 6.988 -9.297 1.00 0.00 H new ATOM 1218 N GLU A 88 15.745 9.896 -11.893 1.00 0.00 N ATOM 1219 CA GLU A 88 15.407 10.783 -13.035 1.00 0.00 C ATOM 1220 C GLU A 88 14.069 10.358 -13.643 1.00 0.00 C ATOM 1221 O GLU A 88 13.311 11.182 -14.115 1.00 0.00 O ATOM 1222 CB GLU A 88 16.503 10.691 -14.097 1.00 0.00 C ATOM 1223 CG GLU A 88 16.951 12.099 -14.492 1.00 0.00 C ATOM 1224 CD GLU A 88 17.511 12.818 -13.262 1.00 0.00 C ATOM 1225 OE1 GLU A 88 17.357 12.295 -12.172 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.085 13.881 -13.434 1.00 0.00 O ATOM 0 H GLU A 88 16.707 9.557 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 88 15.330 11.811 -12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.350 10.123 -13.712 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.132 10.157 -14.972 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.710 12.046 -15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.110 12.658 -14.903 1.00 0.00 H new ATOM 1233 N LEU A 89 13.763 9.085 -13.642 1.00 0.00 N ATOM 1234 CA LEU A 89 12.473 8.649 -14.228 1.00 0.00 C ATOM 1235 C LEU A 89 11.870 7.546 -13.365 1.00 0.00 C ATOM 1236 O LEU A 89 11.129 6.714 -13.848 1.00 0.00 O ATOM 1237 CB LEU A 89 12.707 8.120 -15.643 1.00 0.00 C ATOM 1238 CG LEU A 89 13.225 9.251 -16.534 1.00 0.00 C ATOM 1239 CD1 LEU A 89 14.555 8.835 -17.165 1.00 0.00 C ATOM 1240 CD2 LEU A 89 12.205 9.538 -17.636 1.00 0.00 C ATOM 0 H LEU A 89 14.348 8.340 -13.263 1.00 0.00 H new ATOM 0 HA LEU A 89 11.788 9.496 -14.267 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.426 7.301 -15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.779 7.718 -16.050 1.00 0.00 H new ATOM 0 HG LEU A 89 13.374 10.148 -15.933 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.924 9.640 -17.800 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.282 8.630 -16.379 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.408 7.938 -17.766 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.573 10.344 -18.271 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.056 8.641 -18.237 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.257 9.835 -17.186 1.00 0.00 H new ATOM 1252 N ALA A 90 12.142 7.537 -12.085 1.00 0.00 N ATOM 1253 CA ALA A 90 11.537 6.493 -11.232 1.00 0.00 C ATOM 1254 C ALA A 90 10.638 7.181 -10.233 1.00 0.00 C ATOM 1255 O ALA A 90 10.760 7.010 -9.037 1.00 0.00 O ATOM 1256 CB ALA A 90 12.594 5.658 -10.504 1.00 0.00 C ATOM 0 H ALA A 90 12.750 8.202 -11.606 1.00 0.00 H new ATOM 0 HA ALA A 90 10.973 5.803 -11.859 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.102 4.904 -9.890 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.237 5.168 -11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.196 6.307 -9.869 1.00 0.00 H new ATOM 1262 N LYS A 91 9.737 7.976 -10.727 1.00 0.00 N ATOM 1263 CA LYS A 91 8.832 8.690 -9.839 1.00 0.00 C ATOM 1264 C LYS A 91 8.089 7.689 -8.986 1.00 0.00 C ATOM 1265 O LYS A 91 8.498 6.562 -8.791 1.00 0.00 O ATOM 1266 CB LYS A 91 7.831 9.507 -10.657 1.00 0.00 C ATOM 1267 CG LYS A 91 8.572 10.273 -11.757 1.00 0.00 C ATOM 1268 CD LYS A 91 8.502 11.774 -11.470 1.00 0.00 C ATOM 1269 CE LYS A 91 9.349 12.531 -12.494 1.00 0.00 C ATOM 1270 NZ LYS A 91 9.124 13.996 -12.340 1.00 0.00 N ATOM 0 H LYS A 91 9.599 8.154 -11.722 1.00 0.00 H new ATOM 0 HA LYS A 91 9.405 9.366 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.083 8.848 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.299 10.204 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.612 9.949 -11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.127 10.057 -12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.468 12.115 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.862 11.979 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.404 12.298 -12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.085 12.216 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.700 14.511 -13.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.118 14.211 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.396 14.290 -11.380 1.00 0.00 H new ATOM 1284 N TYR A 92 7.035 8.138 -8.437 1.00 0.00 N ATOM 1285 CA TYR A 92 6.228 7.340 -7.529 1.00 0.00 C ATOM 1286 C TYR A 92 4.786 7.779 -7.716 1.00 0.00 C ATOM 1287 O TYR A 92 4.501 8.693 -8.466 1.00 0.00 O ATOM 1288 CB TYR A 92 6.752 7.694 -6.161 1.00 0.00 C ATOM 1289 CG TYR A 92 8.260 7.484 -6.191 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.786 6.225 -5.888 1.00 0.00 C ATOM 1291 CD2 TYR A 92 9.128 8.518 -6.591 1.00 0.00 C ATOM 1292 CE1 TYR A 92 10.161 5.990 -5.977 1.00 0.00 C ATOM 1293 CE2 TYR A 92 10.506 8.283 -6.674 1.00 0.00 C ATOM 1294 CZ TYR A 92 11.022 7.019 -6.369 1.00 0.00 C ATOM 1295 OH TYR A 92 12.380 6.788 -6.457 1.00 0.00 O ATOM 0 H TYR A 92 6.678 9.081 -8.589 1.00 0.00 H new ATOM 0 HA TYR A 92 6.275 6.263 -7.689 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.512 8.728 -5.912 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.291 7.067 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.125 5.427 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.731 9.493 -6.834 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.558 5.013 -5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.172 9.079 -6.974 1.00 0.00 H new ATOM 0 HH TYR A 92 12.833 7.608 -6.744 1.00 0.00 H new ATOM 1305 N THR A 93 3.875 7.157 -7.059 1.00 0.00 N ATOM 1306 CA THR A 93 2.447 7.579 -7.236 1.00 0.00 C ATOM 1307 C THR A 93 1.761 7.684 -5.879 1.00 0.00 C ATOM 1308 O THR A 93 2.140 7.038 -4.935 1.00 0.00 O ATOM 1309 CB THR A 93 1.706 6.605 -8.180 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.670 7.312 -8.846 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.091 5.418 -7.426 1.00 0.00 C ATOM 0 H THR A 93 4.034 6.384 -6.412 1.00 0.00 H new ATOM 0 HA THR A 93 2.420 8.564 -7.701 1.00 0.00 H new ATOM 0 HB THR A 93 2.434 6.208 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.194 6.704 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.582 4.763 -8.133 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.879 4.862 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.375 5.785 -6.691 1.00 0.00 H new ATOM 1319 N THR A 94 0.764 8.517 -5.769 1.00 0.00 N ATOM 1320 CA THR A 94 0.075 8.680 -4.455 1.00 0.00 C ATOM 1321 C THR A 94 -1.132 7.754 -4.374 1.00 0.00 C ATOM 1322 O THR A 94 -2.130 7.954 -5.035 1.00 0.00 O ATOM 1323 CB THR A 94 -0.383 10.132 -4.295 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.750 10.967 -4.105 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.314 10.246 -3.086 1.00 0.00 C ATOM 0 H THR A 94 0.396 9.091 -6.528 1.00 0.00 H new ATOM 0 HA THR A 94 0.771 8.424 -3.656 1.00 0.00 H new ATOM 0 HB THR A 94 -0.918 10.445 -5.192 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.491 10.436 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.639 11.280 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.184 9.606 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.783 9.933 -2.187 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.045 6.738 -3.562 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.179 5.798 -3.431 1.00 0.00 C ATOM 1335 C CYS A 95 -2.628 5.742 -1.970 1.00 0.00 C ATOM 1336 O CYS A 95 -1.857 6.016 -1.056 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.710 4.430 -3.868 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.108 3.466 -4.492 1.00 0.00 S ATOM 0 H CYS A 95 -0.233 6.522 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.016 6.125 -4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.950 4.528 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.245 3.911 -3.030 1.00 0.00 H new ATOM 1343 N THR A 96 -3.869 5.385 -1.750 1.00 0.00 N ATOM 1344 CA THR A 96 -4.394 5.305 -0.361 1.00 0.00 C ATOM 1345 C THR A 96 -5.075 3.951 -0.139 1.00 0.00 C ATOM 1346 O THR A 96 -5.852 3.490 -0.956 1.00 0.00 O ATOM 1347 CB THR A 96 -5.416 6.420 -0.139 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.930 7.629 -0.703 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.652 6.608 1.361 1.00 0.00 C ATOM 0 H THR A 96 -4.541 5.145 -2.479 1.00 0.00 H new ATOM 0 HA THR A 96 -3.567 5.415 0.340 1.00 0.00 H new ATOM 0 HB THR A 96 -6.357 6.151 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.586 8.343 -0.561 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.381 7.403 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.030 5.680 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.713 6.875 1.846 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.793 3.320 0.969 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.415 2.008 1.281 1.00 0.00 C ATOM 1359 C PHE A 97 -6.333 2.171 2.489 1.00 0.00 C ATOM 1360 O PHE A 97 -5.955 2.752 3.486 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.340 0.983 1.637 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.158 1.037 0.667 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.283 1.601 -0.617 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.917 0.505 1.058 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.187 1.629 -1.478 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.831 0.537 0.196 1.00 0.00 C ATOM 1367 CZ PHE A 97 -0.957 1.098 -1.072 1.00 0.00 C ATOM 0 H PHE A 97 -4.148 3.666 1.679 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.973 1.666 0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.986 1.166 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.774 -0.017 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.229 2.013 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.808 0.067 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.287 2.062 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.117 0.125 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.109 1.123 -1.740 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.527 1.652 2.429 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.429 1.776 3.607 1.00 0.00 C ATOM 1379 C VAL A 98 -8.833 0.366 4.043 1.00 0.00 C ATOM 1380 O VAL A 98 -9.434 -0.374 3.288 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.656 2.611 3.225 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.835 2.278 4.145 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.316 4.096 3.359 1.00 0.00 C ATOM 0 H VAL A 98 -7.914 1.154 1.627 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.927 2.279 4.433 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.934 2.382 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.699 2.879 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.082 1.221 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.564 2.497 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.186 4.694 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.033 4.313 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.487 4.341 2.695 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.476 -0.035 5.237 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.813 -1.419 5.672 1.00 0.00 C ATOM 1395 C VAL A 99 -9.614 -1.418 6.975 1.00 0.00 C ATOM 1396 O VAL A 99 -9.150 -0.977 8.004 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.509 -2.216 5.860 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.610 -3.145 7.076 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.270 -3.040 4.606 1.00 0.00 C ATOM 0 H VAL A 99 -7.972 0.530 5.920 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.432 -1.883 4.904 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.682 -1.526 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.678 -3.698 7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.792 -2.552 7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.432 -3.846 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.350 -3.614 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.107 -3.722 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.182 -2.376 3.746 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.787 -1.971 6.959 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.569 -2.037 8.219 1.00 0.00 C ATOM 1411 C TYR A 100 -11.086 -3.255 9.015 1.00 0.00 C ATOM 1412 O TYR A 100 -10.871 -4.314 8.460 1.00 0.00 O ATOM 1413 CB TYR A 100 -13.056 -2.163 7.907 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.835 -1.401 8.946 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.526 -0.062 9.194 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.858 -2.031 9.662 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.237 0.654 10.159 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.571 -1.316 10.629 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.262 0.028 10.878 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.966 0.732 11.832 1.00 0.00 O ATOM 0 H TYR A 100 -11.236 -2.377 6.138 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.423 -1.128 8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.268 -1.770 6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.354 -3.211 7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.736 0.421 8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -15.096 -3.066 9.469 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -13.996 1.689 10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.361 -1.800 11.185 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.752 0.215 12.107 1.00 0.00 H new ATOM 1430 N SER A 101 -10.879 -3.121 10.300 1.00 0.00 N ATOM 1431 CA SER A 101 -10.377 -4.274 11.086 1.00 0.00 C ATOM 1432 C SER A 101 -11.296 -4.493 12.303 1.00 0.00 C ATOM 1433 O SER A 101 -11.351 -3.676 13.206 1.00 0.00 O ATOM 1434 CB SER A 101 -8.943 -3.934 11.543 1.00 0.00 C ATOM 1435 OG SER A 101 -8.985 -3.282 12.796 1.00 0.00 O ATOM 0 H SER A 101 -11.037 -2.265 10.832 1.00 0.00 H new ATOM 0 HA SER A 101 -10.371 -5.188 10.492 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.349 -4.845 11.616 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.458 -3.295 10.805 1.00 0.00 H new ATOM 0 HG SER A 101 -8.458 -3.791 13.447 1.00 0.00 H new ATOM 1441 N ILE A 102 -12.023 -5.583 12.323 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.944 -5.873 13.467 1.00 0.00 C ATOM 1443 C ILE A 102 -12.235 -6.849 14.426 1.00 0.00 C ATOM 1444 O ILE A 102 -12.142 -8.023 14.142 1.00 0.00 O ATOM 1445 CB ILE A 102 -14.222 -6.524 12.923 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.528 -5.948 11.533 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -15.391 -6.229 13.866 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.977 -6.257 11.145 1.00 0.00 C ATOM 0 H ILE A 102 -12.018 -6.291 11.589 1.00 0.00 H new ATOM 0 HA ILE A 102 -13.201 -4.955 13.995 1.00 0.00 H new ATOM 0 HB ILE A 102 -14.081 -7.602 12.852 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.365 -4.870 11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.847 -6.374 10.796 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -16.298 -6.692 13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -15.172 -6.633 14.854 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.537 -5.151 13.939 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.185 -5.845 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.126 -7.337 11.126 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.652 -5.810 11.875 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.731 -6.337 15.525 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.985 -7.156 16.542 1.00 0.00 C ATOM 1462 C PRO A 103 -11.877 -8.196 17.235 1.00 0.00 C ATOM 1463 O PRO A 103 -11.534 -9.359 17.296 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.473 -6.109 17.526 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.374 -4.896 17.371 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.843 -4.894 15.916 1.00 0.00 C ATOM 0 HA PRO A 103 -10.190 -7.750 16.091 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.505 -6.488 18.547 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.435 -5.851 17.314 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -12.222 -4.952 18.053 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.835 -3.978 17.607 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.865 -4.528 15.822 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -11.218 -4.257 15.291 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.994 -7.807 17.780 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.851 -8.817 18.476 1.00 0.00 C ATOM 1476 C TRP A 104 -14.218 -9.974 17.532 1.00 0.00 C ATOM 1477 O TRP A 104 -14.756 -10.974 17.962 1.00 0.00 O ATOM 1478 CB TRP A 104 -15.134 -8.153 19.004 1.00 0.00 C ATOM 1479 CG TRP A 104 -16.046 -7.770 17.876 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.881 -8.612 17.215 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -16.253 -6.454 17.287 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.568 -7.899 16.253 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -17.216 -6.566 16.256 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.697 -5.188 17.540 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.614 -5.461 15.504 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -16.098 -4.073 16.787 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -17.054 -4.210 15.770 1.00 0.00 C ATOM 0 H TRP A 104 -13.350 -6.851 17.777 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.282 -9.220 19.314 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.651 -8.837 19.678 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.877 -7.267 19.585 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.990 -9.669 17.410 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.253 -8.309 15.617 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.957 -5.072 18.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.350 -5.572 14.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.668 -3.104 16.992 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.357 -3.349 15.193 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.974 -9.845 16.251 1.00 0.00 N ATOM 1499 CA LEU A 105 -14.351 -10.909 15.308 1.00 0.00 C ATOM 1500 C LEU A 105 -13.209 -11.173 14.320 1.00 0.00 C ATOM 1501 O LEU A 105 -13.396 -11.832 13.316 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.527 -10.358 14.559 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.762 -11.257 14.636 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.703 -12.309 13.528 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.853 -11.950 16.000 1.00 0.00 C ATOM 0 H LEU A 105 -13.524 -9.034 15.827 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.572 -11.845 15.821 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.776 -9.374 14.958 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.251 -10.218 13.514 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.648 -10.635 14.507 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.584 -12.948 13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.677 -11.814 12.557 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.806 -12.916 13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.740 -12.583 16.028 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.965 -12.562 16.157 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.919 -11.198 16.786 1.00 0.00 H new ATOM 1517 N ASN A 106 -12.034 -10.671 14.603 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.873 -10.883 13.698 1.00 0.00 C ATOM 1519 C ASN A 106 -11.328 -10.909 12.240 1.00 0.00 C ATOM 1520 O ASN A 106 -11.088 -11.853 11.514 1.00 0.00 O ATOM 1521 CB ASN A 106 -10.209 -12.192 14.077 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.784 -12.228 13.524 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -8.555 -11.897 12.378 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -7.807 -12.619 14.296 1.00 0.00 N ATOM 0 H ASN A 106 -11.831 -10.116 15.435 1.00 0.00 H new ATOM 0 HA ASN A 106 -10.162 -10.064 13.805 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.191 -12.301 15.161 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.784 -13.030 13.682 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.853 -12.646 13.937 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.998 -12.897 15.259 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.982 -9.869 11.812 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.461 -9.802 10.405 1.00 0.00 C ATOM 1533 C GLN A 107 -11.849 -8.578 9.722 1.00 0.00 C ATOM 1534 O GLN A 107 -12.303 -7.463 9.890 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.986 -9.692 10.387 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.574 -10.876 9.616 1.00 0.00 C ATOM 1537 CD GLN A 107 -16.024 -10.574 9.238 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -16.941 -11.015 9.900 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -16.272 -9.834 8.190 1.00 0.00 N ATOM 0 H GLN A 107 -12.208 -9.054 12.382 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.161 -10.705 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.372 -9.680 11.406 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.288 -8.754 9.920 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.986 -11.066 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.527 -11.779 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.502 -9.463 7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.236 -9.627 7.928 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.816 -8.782 8.955 1.00 0.00 N ATOM 1549 CA ILE A 108 -10.156 -7.648 8.252 1.00 0.00 C ATOM 1550 C ILE A 108 -10.705 -7.585 6.818 1.00 0.00 C ATOM 1551 O ILE A 108 -10.952 -8.601 6.199 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.635 -7.899 8.275 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.928 -6.722 8.960 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -8.075 -8.104 6.856 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.473 -6.620 8.507 1.00 0.00 C ATOM 0 H ILE A 108 -10.396 -9.696 8.783 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.357 -6.692 8.735 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.449 -8.814 8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.451 -5.794 8.728 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.968 -6.849 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.000 -8.278 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.559 -8.965 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.268 -7.214 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.994 -5.778 9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.947 -7.540 8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.438 -6.469 7.428 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.909 -6.411 6.282 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.454 -6.326 4.895 1.00 0.00 C ATOM 1569 C LYS A 109 -10.917 -5.083 4.179 1.00 0.00 C ATOM 1570 O LYS A 109 -10.822 -4.010 4.747 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.981 -6.253 4.955 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.546 -6.306 3.533 1.00 0.00 C ATOM 1573 CD LYS A 109 -15.074 -6.284 3.590 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.641 -6.630 2.212 1.00 0.00 C ATOM 1575 NZ LYS A 109 -17.084 -6.262 2.163 1.00 0.00 N ATOM 0 H LYS A 109 -10.725 -5.517 6.738 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.142 -7.212 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.373 -7.081 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.294 -5.333 5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.181 -5.458 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.203 -7.209 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.431 -6.998 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.423 -5.299 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.092 -6.096 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.519 -7.695 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.471 -6.497 1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.602 -6.790 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.188 -5.242 2.334 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.582 -5.226 2.922 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.066 -4.067 2.140 1.00 0.00 C ATOM 1591 C LEU A 110 -11.227 -3.160 1.764 1.00 0.00 C ATOM 1592 O LEU A 110 -12.376 -3.549 1.817 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.380 -4.568 0.875 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.109 -3.752 0.643 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.256 -3.751 1.912 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.316 -4.379 -0.491 1.00 0.00 C ATOM 0 H LEU A 110 -10.645 -6.102 2.403 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.347 -3.511 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.136 -5.626 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.050 -4.473 0.020 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.378 -2.727 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.351 -3.168 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.823 -3.309 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.985 -4.775 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.407 -3.802 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.051 -5.403 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.920 -4.383 -1.399 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.941 -1.947 1.390 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.048 -1.022 1.025 1.00 0.00 C ATOM 1610 C LEU A 111 -11.553 0.023 0.038 1.00 0.00 C ATOM 1611 O LEU A 111 -11.691 -0.116 -1.162 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.561 -0.324 2.286 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.622 -1.198 2.958 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.960 -2.087 4.012 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.666 -0.304 3.630 1.00 0.00 C ATOM 0 H LEU A 111 -10.001 -1.558 1.321 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.853 -1.594 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.736 -0.141 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.984 0.648 2.030 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.105 -1.823 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.716 -2.709 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.215 -2.724 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.476 -1.462 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.423 -0.925 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.181 0.321 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.139 0.330 2.880 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.995 1.078 0.540 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.502 2.160 -0.361 1.00 0.00 C ATOM 1629 C GLU A 112 -9.033 1.928 -0.722 1.00 0.00 C ATOM 1630 O GLU A 112 -8.161 2.692 -0.358 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.655 3.523 0.321 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.894 3.509 1.218 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.733 4.759 0.948 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -12.181 5.720 0.440 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -13.914 4.733 1.254 1.00 0.00 O ATOM 0 H GLU A 112 -10.855 1.245 1.537 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.097 2.145 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.767 3.747 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.745 4.309 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.485 2.613 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.597 3.477 2.266 1.00 0.00 H new ATOM 1642 N SER A 113 -8.763 0.890 -1.462 1.00 0.00 N ATOM 1643 CA SER A 113 -7.362 0.608 -1.888 1.00 0.00 C ATOM 1644 C SER A 113 -7.230 1.025 -3.352 1.00 0.00 C ATOM 1645 O SER A 113 -7.421 0.233 -4.252 1.00 0.00 O ATOM 1646 CB SER A 113 -7.075 -0.888 -1.752 1.00 0.00 C ATOM 1647 OG SER A 113 -8.230 -1.628 -2.120 1.00 0.00 O ATOM 0 H SER A 113 -9.457 0.219 -1.793 1.00 0.00 H new ATOM 0 HA SER A 113 -6.654 1.157 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.234 -1.167 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.791 -1.123 -0.726 1.00 0.00 H new ATOM 0 HG SER A 113 -8.528 -1.347 -3.010 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.919 2.268 -3.598 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.798 2.730 -5.008 1.00 0.00 C ATOM 1655 C LYS A 114 -5.975 4.013 -5.043 1.00 0.00 C ATOM 1656 O LYS A 114 -5.698 4.606 -4.025 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.192 3.001 -5.580 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.188 2.710 -7.082 1.00 0.00 C ATOM 1659 CD LYS A 114 -8.999 3.781 -7.812 1.00 0.00 C ATOM 1660 CE LYS A 114 -9.873 3.121 -8.880 1.00 0.00 C ATOM 1661 NZ LYS A 114 -11.267 3.634 -8.769 1.00 0.00 N ATOM 0 H LYS A 114 -6.745 2.979 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.307 1.962 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.931 2.376 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.476 4.038 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.165 2.695 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.612 1.724 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.622 4.326 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.330 4.508 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.475 3.332 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.862 2.038 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -11.861 3.185 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.645 3.411 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.270 4.665 -8.908 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.568 4.440 -6.203 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.744 5.678 -6.283 1.00 0.00 C ATOM 1677 C CYS A 115 -5.434 6.703 -7.177 1.00 0.00 C ATOM 1678 O CYS A 115 -6.174 6.362 -8.077 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.364 5.341 -6.863 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.943 3.615 -6.503 1.00 0.00 S ATOM 0 H CYS A 115 -5.768 3.989 -7.096 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.627 6.094 -5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.363 5.507 -7.940 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.610 6.004 -6.438 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.191 7.962 -6.935 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.826 9.018 -7.771 1.00 0.00 C ATOM 1687 C GLN A 116 -7.298 8.670 -8.006 1.00 0.00 C ATOM 1688 CB GLN A 116 -5.103 9.104 -9.117 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.808 10.124 -10.011 1.00 0.00 C ATOM 1690 CD GLN A 116 -4.847 10.598 -11.102 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -4.421 11.736 -11.100 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -4.484 9.768 -12.040 1.00 0.00 N ATOM 0 H GLN A 116 -4.580 8.305 -6.194 1.00 0.00 H new ATOM 0 HA GLN A 116 -5.758 9.977 -7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -4.063 9.395 -8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.094 8.127 -9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.694 9.677 -10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.146 10.972 -9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -4.841 8.813 -12.042 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -3.843 10.074 -12.772 1.00 0.00 H new