USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 153:sc= 0.718 USER MOD Set 1.2: A 72 CYS SG : rot -46:sc= -0.839 USER MOD Set 1.3: A 91 HIS : no HD1:sc= -1.24! C(o=-1.5!,f=-7.2!) USER MOD Set 1.4: A 94 CYS SG : rot 36:sc= -0.173 USER MOD Set 2.1: A 36 CYS SG : rot 147:sc= -0.135 USER MOD Set 2.2: A 39 CYS SG : rot -57:sc= -0.389 USER MOD Set 2.3: A 57 CYS SG : rot -130:sc= -0.393 USER MOD Set 2.4: A 60 CYS SG : rot 143:sc= -0.942! USER MOD Set 3.1: A 8 CYS SG : rot -12:sc= -0.552 USER MOD Set 3.2: A 11 CYS SG : rot -51:sc= -1.09 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -1.51! C(o=-4!,f=-9.5!) USER MOD Set 3.4: A 33 CYS SG : rot 180:sc= -0.876 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -1.05 K(o=-1,f=-0.31) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.854 K(o=-0.85,f=-2.9) USER MOD Single : A 32 THR OG1 : rot -32:sc= 0.0663 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-0.44) USER MOD Single : A 45 ASN : amide:sc= -0.0155 K(o=-0.016,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0348 (180deg=-0.248) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.0381 (180deg=-0.359) USER MOD Single : A 61 THR OG1 : rot -2:sc= -0.301 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.43! C(o=-2.4!,f=-2.7!) USER MOD Single : A 82 ASN : amide:sc= -4.34! C(o=-4.3!,f=-5.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 4:sc= 0.457 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.068 17.753 -11.819 1.00 0.00 N ATOM 60 CA GLY A 7 -5.234 16.984 -11.428 1.00 0.00 C ATOM 61 C GLY A 7 -4.941 15.500 -11.322 1.00 0.00 C ATOM 62 O GLY A 7 -4.407 14.897 -12.253 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.601 17.348 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.031 17.143 -12.155 1.00 0.00 H new ATOM 66 N CYS A 8 -5.289 14.910 -10.183 1.00 0.00 N ATOM 67 CA CYS A 8 -5.059 13.488 -9.957 1.00 0.00 C ATOM 68 C CYS A 8 -6.293 12.671 -10.330 1.00 0.00 C ATOM 69 O CYS A 8 -7.425 13.093 -10.094 1.00 0.00 O ATOM 70 CB CYS A 8 -4.690 13.237 -8.494 1.00 0.00 C ATOM 71 SG CYS A 8 -3.848 11.648 -8.202 1.00 0.00 S ATOM 0 H CYS A 8 -5.731 15.395 -9.402 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.232 13.173 -10.593 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.046 14.046 -8.149 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.597 13.272 -7.890 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.944 10.904 -9.264 1.00 0.00 H new ATOM 76 N VAL A 9 -6.065 11.499 -10.914 1.00 0.00 N ATOM 77 CA VAL A 9 -7.157 10.621 -11.318 1.00 0.00 C ATOM 78 C VAL A 9 -7.465 9.593 -10.236 1.00 0.00 C ATOM 79 O VAL A 9 -8.374 8.776 -10.383 1.00 0.00 O ATOM 80 CB VAL A 9 -6.828 9.886 -12.631 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.336 10.867 -13.684 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.799 8.793 -12.386 1.00 0.00 C ATOM 0 H VAL A 9 -5.134 11.135 -11.118 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.031 11.253 -11.473 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.739 9.418 -13.003 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.109 10.329 -14.604 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.110 11.610 -13.879 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.437 11.366 -13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.578 8.284 -13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.885 9.236 -11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.195 8.075 -11.668 1.00 0.00 H new ATOM 92 N GLU A 10 -6.703 9.640 -9.148 1.00 0.00 N ATOM 93 CA GLU A 10 -6.895 8.712 -8.040 1.00 0.00 C ATOM 94 C GLU A 10 -7.708 9.359 -6.923 1.00 0.00 C ATOM 95 O GLU A 10 -8.750 8.842 -6.518 1.00 0.00 O ATOM 96 CB GLU A 10 -5.543 8.244 -7.497 1.00 0.00 C ATOM 97 CG GLU A 10 -5.573 6.840 -6.917 1.00 0.00 C ATOM 98 CD GLU A 10 -6.341 6.764 -5.612 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.424 7.796 -4.912 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.859 5.675 -5.289 1.00 0.00 O ATOM 0 H GLU A 10 -5.947 10.311 -9.010 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.446 7.849 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.806 8.281 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.210 8.939 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.025 6.162 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.552 6.497 -6.754 1.00 0.00 H new ATOM 107 N CYS A 11 -7.225 10.493 -6.428 1.00 0.00 N ATOM 108 CA CYS A 11 -7.904 11.212 -5.357 1.00 0.00 C ATOM 109 C CYS A 11 -8.757 12.346 -5.919 1.00 0.00 C ATOM 110 O CYS A 11 -9.329 13.136 -5.168 1.00 0.00 O ATOM 111 CB CYS A 11 -6.885 11.770 -4.362 1.00 0.00 C ATOM 112 SG CYS A 11 -5.559 12.755 -5.130 1.00 0.00 S ATOM 0 H CYS A 11 -6.365 10.935 -6.752 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.559 10.510 -4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.407 12.389 -3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.437 10.941 -3.814 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.025 12.079 -6.104 1.00 0.00 H new ATOM 117 N ARG A 12 -8.837 12.419 -7.243 1.00 0.00 N ATOM 118 CA ARG A 12 -9.618 13.456 -7.906 1.00 0.00 C ATOM 119 C ARG A 12 -9.308 14.829 -7.317 1.00 0.00 C ATOM 120 O ARG A 12 -10.144 15.733 -7.347 1.00 0.00 O ATOM 121 CB ARG A 12 -11.113 13.159 -7.776 1.00 0.00 C ATOM 122 CG ARG A 12 -11.658 12.278 -8.888 1.00 0.00 C ATOM 123 CD ARG A 12 -11.348 10.810 -8.638 1.00 0.00 C ATOM 124 NE ARG A 12 -11.793 9.961 -9.740 1.00 0.00 N ATOM 125 CZ ARG A 12 -13.042 9.531 -9.877 1.00 0.00 C ATOM 126 NH1 ARG A 12 -13.965 9.868 -8.987 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.371 8.761 -10.907 1.00 0.00 N ATOM 0 H ARG A 12 -8.370 11.772 -7.878 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.346 13.463 -8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.296 12.674 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.662 14.100 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.736 12.415 -8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.227 12.585 -9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.275 10.685 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.832 10.489 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.107 9.683 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.717 10.459 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.923 9.536 -9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.664 8.499 -11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.331 8.431 -11.011 1.00 0.00 H new ATOM 141 N LYS A 13 -8.102 14.979 -6.781 1.00 0.00 N ATOM 142 CA LYS A 13 -7.680 16.242 -6.186 1.00 0.00 C ATOM 143 C LYS A 13 -6.629 16.928 -7.053 1.00 0.00 C ATOM 144 O LYS A 13 -5.902 16.287 -7.813 1.00 0.00 O ATOM 145 CB LYS A 13 -7.122 16.005 -4.780 1.00 0.00 C ATOM 146 CG LYS A 13 -8.190 15.694 -3.746 1.00 0.00 C ATOM 147 CD LYS A 13 -7.740 16.078 -2.347 1.00 0.00 C ATOM 148 CE LYS A 13 -8.737 15.618 -1.294 1.00 0.00 C ATOM 149 NZ LYS A 13 -8.607 14.162 -1.007 1.00 0.00 N ATOM 0 H LYS A 13 -7.399 14.241 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.552 16.893 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.411 15.180 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.569 16.889 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.106 16.230 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.426 14.630 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.765 15.636 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.619 17.160 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.583 16.185 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.750 15.832 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.303 13.887 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.779 13.620 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.648 13.961 -0.658 1.00 0.00 H new ATOM 163 N PRO A 14 -6.543 18.261 -6.936 1.00 0.00 N ATOM 164 CA PRO A 14 -5.583 19.062 -7.700 1.00 0.00 C ATOM 165 C PRO A 14 -4.145 18.832 -7.246 1.00 0.00 C ATOM 166 O PRO A 14 -3.873 18.719 -6.051 1.00 0.00 O ATOM 167 CB PRO A 14 -6.011 20.503 -7.410 1.00 0.00 C ATOM 168 CG PRO A 14 -6.704 20.433 -6.093 1.00 0.00 C ATOM 169 CD PRO A 14 -7.378 19.089 -6.050 1.00 0.00 C ATOM 0 HA PRO A 14 -5.591 18.806 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.151 21.171 -7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.674 20.883 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.994 20.540 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.432 21.238 -5.992 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.410 18.688 -5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.408 19.144 -6.404 1.00 0.00 H new ATOM 177 N ILE A 15 -3.230 18.765 -8.207 1.00 0.00 N ATOM 178 CA ILE A 15 -1.820 18.550 -7.904 1.00 0.00 C ATOM 179 C ILE A 15 -1.047 19.865 -7.923 1.00 0.00 C ATOM 180 O ILE A 15 -1.250 20.703 -8.800 1.00 0.00 O ATOM 181 CB ILE A 15 -1.173 17.572 -8.903 1.00 0.00 C ATOM 182 CG1 ILE A 15 -1.950 16.255 -8.937 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.282 17.325 -8.534 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.579 15.365 -10.102 1.00 0.00 C ATOM 0 H ILE A 15 -3.439 18.856 -9.201 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.774 18.119 -6.904 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.206 18.017 -9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.774 15.715 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.017 16.473 -8.982 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.726 16.632 -9.249 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.828 18.268 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.336 16.898 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.169 14.449 -10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.781 15.887 -11.037 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.519 15.117 -10.047 1.00 0.00 H new ATOM 196 N GLY A 16 -0.158 20.036 -6.950 1.00 0.00 N ATOM 197 CA GLY A 16 0.633 21.250 -6.874 1.00 0.00 C ATOM 198 C GLY A 16 1.533 21.432 -8.080 1.00 0.00 C ATOM 199 O GLY A 16 1.934 20.458 -8.716 1.00 0.00 O ATOM 0 H GLY A 16 0.029 19.356 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.033 22.109 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.242 21.227 -5.970 1.00 0.00 H new ATOM 203 N ALA A 17 1.851 22.683 -8.396 1.00 0.00 N ATOM 204 CA ALA A 17 2.709 22.989 -9.534 1.00 0.00 C ATOM 205 C ALA A 17 4.158 22.612 -9.245 1.00 0.00 C ATOM 206 O ALA A 17 4.953 22.413 -10.164 1.00 0.00 O ATOM 207 CB ALA A 17 2.607 24.464 -9.891 1.00 0.00 C ATOM 0 H ALA A 17 1.527 23.501 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 17 2.369 22.397 -10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.253 24.678 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.576 24.706 -10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.919 25.067 -9.038 1.00 0.00 H new ATOM 213 N ASP A 18 4.496 22.516 -7.964 1.00 0.00 N ATOM 214 CA ASP A 18 5.850 22.163 -7.554 1.00 0.00 C ATOM 215 C ASP A 18 5.871 20.804 -6.861 1.00 0.00 C ATOM 216 O ASP A 18 6.862 20.430 -6.235 1.00 0.00 O ATOM 217 CB ASP A 18 6.419 23.233 -6.622 1.00 0.00 C ATOM 218 CG ASP A 18 5.467 23.587 -5.497 1.00 0.00 C ATOM 219 OD1 ASP A 18 5.132 22.687 -4.699 1.00 0.00 O ATOM 220 OD2 ASP A 18 5.056 24.764 -5.414 1.00 0.00 O ATOM 0 H ASP A 18 3.850 22.678 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 18 6.470 22.104 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.360 22.880 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.645 24.130 -7.199 1.00 0.00 H new ATOM 225 N SER A 19 4.769 20.069 -6.977 1.00 0.00 N ATOM 226 CA SER A 19 4.659 18.754 -6.358 1.00 0.00 C ATOM 227 C SER A 19 5.077 17.657 -7.333 1.00 0.00 C ATOM 228 O SER A 19 4.706 17.679 -8.507 1.00 0.00 O ATOM 229 CB SER A 19 3.225 18.509 -5.882 1.00 0.00 C ATOM 230 OG SER A 19 3.023 19.033 -4.581 1.00 0.00 O ATOM 0 H SER A 19 3.940 20.362 -7.494 1.00 0.00 H new ATOM 0 HA SER A 19 5.329 18.727 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.524 18.972 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.016 17.439 -5.883 1.00 0.00 H new ATOM 0 HG SER A 19 2.099 18.865 -4.301 1.00 0.00 H new ATOM 236 N LYS A 20 5.852 16.699 -6.838 1.00 0.00 N ATOM 237 CA LYS A 20 6.322 15.592 -7.663 1.00 0.00 C ATOM 238 C LYS A 20 5.155 14.726 -8.128 1.00 0.00 C ATOM 239 O LYS A 20 4.622 13.924 -7.362 1.00 0.00 O ATOM 240 CB LYS A 20 7.325 14.738 -6.884 1.00 0.00 C ATOM 241 CG LYS A 20 6.868 14.395 -5.476 1.00 0.00 C ATOM 242 CD LYS A 20 7.500 15.315 -4.446 1.00 0.00 C ATOM 243 CE LYS A 20 8.869 14.812 -4.014 1.00 0.00 C ATOM 244 NZ LYS A 20 9.165 15.157 -2.596 1.00 0.00 N ATOM 0 H LYS A 20 6.168 16.666 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 20 6.814 16.010 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.507 13.814 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.276 15.268 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.782 14.471 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.128 13.361 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.595 16.318 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.848 15.391 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.915 13.731 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.634 15.242 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.107 14.797 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.146 16.190 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.449 14.725 -1.977 1.00 0.00 H new ATOM 258 N GLU A 21 4.764 14.895 -9.387 1.00 0.00 N ATOM 259 CA GLU A 21 3.660 14.129 -9.953 1.00 0.00 C ATOM 260 C GLU A 21 4.159 13.172 -11.033 1.00 0.00 C ATOM 261 O GLU A 21 5.282 13.300 -11.520 1.00 0.00 O ATOM 262 CB GLU A 21 2.603 15.068 -10.538 1.00 0.00 C ATOM 263 CG GLU A 21 3.137 15.978 -11.632 1.00 0.00 C ATOM 264 CD GLU A 21 3.402 15.238 -12.928 1.00 0.00 C ATOM 265 OE1 GLU A 21 2.726 14.218 -13.179 1.00 0.00 O ATOM 266 OE2 GLU A 21 4.285 15.679 -13.693 1.00 0.00 O ATOM 0 H GLU A 21 5.195 15.555 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 21 3.211 13.543 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.783 14.473 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.190 15.681 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.421 16.779 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.060 16.447 -11.291 1.00 0.00 H new ATOM 273 N VAL A 22 3.315 12.213 -11.401 1.00 0.00 N ATOM 274 CA VAL A 22 3.669 11.235 -12.422 1.00 0.00 C ATOM 275 C VAL A 22 2.705 11.299 -13.602 1.00 0.00 C ATOM 276 O VAL A 22 1.569 10.834 -13.516 1.00 0.00 O ATOM 277 CB VAL A 22 3.671 9.804 -11.853 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.143 8.811 -12.904 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.540 9.728 -10.607 1.00 0.00 C ATOM 0 H VAL A 22 2.382 12.093 -11.007 1.00 0.00 H new ATOM 0 HA VAL A 22 4.674 11.484 -12.763 1.00 0.00 H new ATOM 0 HB VAL A 22 2.651 9.542 -11.573 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.138 7.806 -12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.475 8.848 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.155 9.067 -13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.530 8.710 -10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.562 10.010 -10.859 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.151 10.409 -9.850 1.00 0.00 H new ATOM 289 N HIS A 23 3.167 11.880 -14.705 1.00 0.00 N ATOM 290 CA HIS A 23 2.346 12.004 -15.905 1.00 0.00 C ATOM 291 C HIS A 23 2.568 10.820 -16.840 1.00 0.00 C ATOM 292 O HIS A 23 3.677 10.600 -17.328 1.00 0.00 O ATOM 293 CB HIS A 23 2.665 13.311 -16.633 1.00 0.00 C ATOM 294 CG HIS A 23 2.088 13.383 -18.013 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.622 14.170 -19.012 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.017 12.761 -18.558 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.904 14.029 -20.111 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.924 13.179 -19.863 1.00 0.00 N ATOM 0 H HIS A 23 4.105 12.272 -14.793 1.00 0.00 H new ATOM 0 HA HIS A 23 1.299 12.012 -15.601 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.286 14.147 -16.045 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.747 13.429 -16.694 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.443 14.767 -18.917 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.358 12.065 -18.060 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.087 14.525 -21.053 1.00 0.00 H new ATOM 307 N TYR A 24 1.506 10.060 -17.086 1.00 0.00 N ATOM 308 CA TYR A 24 1.585 8.896 -17.960 1.00 0.00 C ATOM 309 C TYR A 24 0.237 8.615 -18.617 1.00 0.00 C ATOM 310 O TYR A 24 -0.779 8.466 -17.938 1.00 0.00 O ATOM 311 CB TYR A 24 2.046 7.669 -17.171 1.00 0.00 C ATOM 312 CG TYR A 24 2.627 6.575 -18.037 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.836 6.754 -18.698 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.967 5.363 -18.196 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.371 5.757 -19.491 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.495 4.360 -18.985 1.00 0.00 C ATOM 317 CZ TYR A 24 3.697 4.562 -19.631 1.00 0.00 C ATOM 318 OH TYR A 24 4.225 3.566 -20.420 1.00 0.00 O ATOM 0 H TYR A 24 0.580 10.230 -16.692 1.00 0.00 H new ATOM 0 HA TYR A 24 2.313 9.111 -18.743 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.793 7.977 -16.440 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.200 7.268 -16.612 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.367 7.688 -18.590 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.024 5.202 -17.694 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.312 5.913 -19.998 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.970 3.423 -19.096 1.00 0.00 H new ATOM 0 HH TYR A 24 3.627 2.790 -20.411 1.00 0.00 H new ATOM 328 N LYS A 25 0.236 8.543 -19.943 1.00 0.00 N ATOM 329 CA LYS A 25 -0.985 8.279 -20.695 1.00 0.00 C ATOM 330 C LYS A 25 -2.025 9.366 -20.443 1.00 0.00 C ATOM 331 O LYS A 25 -3.202 9.075 -20.231 1.00 0.00 O ATOM 332 CB LYS A 25 -1.558 6.912 -20.313 1.00 0.00 C ATOM 333 CG LYS A 25 -0.591 5.763 -20.540 1.00 0.00 C ATOM 334 CD LYS A 25 -0.737 5.178 -21.935 1.00 0.00 C ATOM 335 CE LYS A 25 0.013 6.006 -22.967 1.00 0.00 C ATOM 336 NZ LYS A 25 0.505 5.169 -24.097 1.00 0.00 N ATOM 0 H LYS A 25 1.068 8.664 -20.520 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.736 8.278 -21.756 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.848 6.930 -19.262 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.464 6.733 -20.891 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.431 6.113 -20.396 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.769 4.985 -19.798 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.360 4.155 -21.943 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.793 5.130 -22.202 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.642 6.787 -23.352 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.857 6.504 -22.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.011 5.769 -24.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.150 4.439 -23.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.302 4.713 -24.569 1.00 0.00 H new ATOM 350 N ASN A 26 -1.583 10.619 -20.470 1.00 0.00 N ATOM 351 CA ASN A 26 -2.477 11.749 -20.246 1.00 0.00 C ATOM 352 C ASN A 26 -3.106 11.678 -18.858 1.00 0.00 C ATOM 353 O ASN A 26 -4.267 12.043 -18.672 1.00 0.00 O ATOM 354 CB ASN A 26 -3.573 11.780 -21.313 1.00 0.00 C ATOM 355 CG ASN A 26 -4.396 13.053 -21.261 1.00 0.00 C ATOM 356 OD1 ASN A 26 -4.137 13.939 -20.447 1.00 0.00 O ATOM 357 ND2 ASN A 26 -5.393 13.148 -22.133 1.00 0.00 N ATOM 0 H ASN A 26 -0.612 10.877 -20.645 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.888 12.664 -20.313 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.119 11.685 -22.299 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.230 10.920 -21.180 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.981 13.981 -22.146 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.570 12.388 -22.790 1.00 0.00 H new ATOM 364 N ARG A 27 -2.331 11.208 -17.886 1.00 0.00 N ATOM 365 CA ARG A 27 -2.812 11.088 -16.515 1.00 0.00 C ATOM 366 C ARG A 27 -1.839 11.744 -15.539 1.00 0.00 C ATOM 367 O ARG A 27 -0.821 12.305 -15.943 1.00 0.00 O ATOM 368 CB ARG A 27 -3.007 9.616 -16.147 1.00 0.00 C ATOM 369 CG ARG A 27 -3.897 8.858 -17.118 1.00 0.00 C ATOM 370 CD ARG A 27 -5.365 8.984 -16.743 1.00 0.00 C ATOM 371 NE ARG A 27 -5.716 8.127 -15.613 1.00 0.00 N ATOM 372 CZ ARG A 27 -6.955 7.722 -15.355 1.00 0.00 C ATOM 373 NH1 ARG A 27 -7.955 8.093 -16.143 1.00 0.00 N ATOM 374 NH2 ARG A 27 -7.195 6.944 -14.308 1.00 0.00 N ATOM 0 H ARG A 27 -1.367 10.904 -18.023 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.771 11.602 -16.446 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.033 9.129 -16.104 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.438 9.554 -15.148 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.744 9.240 -18.127 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.612 7.806 -17.129 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.588 10.022 -16.494 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.983 8.722 -17.602 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.969 7.823 -14.988 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.774 8.691 -16.949 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.905 7.781 -15.943 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.428 6.656 -13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.146 6.634 -14.111 1.00 0.00 H new ATOM 388 N PHE A 28 -2.161 11.668 -14.251 1.00 0.00 N ATOM 389 CA PHE A 28 -1.317 12.255 -13.217 1.00 0.00 C ATOM 390 C PHE A 28 -1.640 11.661 -11.849 1.00 0.00 C ATOM 391 O PHE A 28 -2.773 11.748 -11.376 1.00 0.00 O ATOM 392 CB PHE A 28 -1.498 13.774 -13.182 1.00 0.00 C ATOM 393 CG PHE A 28 -1.481 14.411 -14.542 1.00 0.00 C ATOM 394 CD1 PHE A 28 -0.291 14.847 -15.102 1.00 0.00 C ATOM 395 CD2 PHE A 28 -2.654 14.576 -15.260 1.00 0.00 C ATOM 396 CE1 PHE A 28 -0.271 15.434 -16.353 1.00 0.00 C ATOM 397 CE2 PHE A 28 -2.641 15.161 -16.512 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.448 15.592 -17.059 1.00 0.00 C ATOM 0 H PHE A 28 -3.000 11.206 -13.899 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.279 12.026 -13.457 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.443 14.008 -12.692 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.706 14.212 -12.574 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.632 14.727 -14.554 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.590 14.243 -14.836 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.664 15.769 -16.778 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.563 15.281 -17.062 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.435 16.051 -18.036 1.00 0.00 H new ATOM 408 N TRP A 29 -0.637 11.058 -11.221 1.00 0.00 N ATOM 409 CA TRP A 29 -0.814 10.449 -9.908 1.00 0.00 C ATOM 410 C TRP A 29 0.161 11.041 -8.897 1.00 0.00 C ATOM 411 O TRP A 29 1.324 11.291 -9.215 1.00 0.00 O ATOM 412 CB TRP A 29 -0.620 8.934 -9.995 1.00 0.00 C ATOM 413 CG TRP A 29 -1.651 8.251 -10.842 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.861 7.769 -10.432 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.561 7.973 -12.244 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.529 7.208 -11.493 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.753 7.321 -12.617 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.591 8.213 -13.220 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -2.997 6.906 -13.923 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.834 7.800 -14.517 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.029 7.154 -14.859 1.00 0.00 C ATOM 0 H TRP A 29 0.307 10.978 -11.600 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.829 10.660 -9.572 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.370 8.724 -10.400 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.649 8.513 -8.990 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.238 7.821 -9.421 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.453 6.777 -11.451 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.332 8.712 -12.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.917 6.406 -14.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.090 7.978 -15.279 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.190 6.845 -15.881 1.00 0.00 H new ATOM 432 N HIS A 30 -0.319 11.264 -7.678 1.00 0.00 N ATOM 433 CA HIS A 30 0.512 11.827 -6.619 1.00 0.00 C ATOM 434 C HIS A 30 1.622 10.857 -6.226 1.00 0.00 C ATOM 435 O HIS A 30 1.481 9.643 -6.378 1.00 0.00 O ATOM 436 CB HIS A 30 -0.342 12.166 -5.397 1.00 0.00 C ATOM 437 CG HIS A 30 -1.094 13.454 -5.531 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.469 13.518 -5.616 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.655 14.733 -5.592 1.00 0.00 C ATOM 440 CE1 HIS A 30 -2.843 14.780 -5.725 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.762 15.538 -5.713 1.00 0.00 N ATOM 0 H HIS A 30 -1.279 11.064 -7.399 1.00 0.00 H new ATOM 0 HA HIS A 30 0.970 12.741 -6.997 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.051 11.357 -5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.301 12.220 -4.518 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.099 12.716 -5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.374 15.060 -5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.860 15.132 -5.810 1.00 0.00 H new ATOM 449 N ASP A 31 2.724 11.399 -5.722 1.00 0.00 N ATOM 450 CA ASP A 31 3.858 10.582 -5.307 1.00 0.00 C ATOM 451 C ASP A 31 3.416 9.493 -4.334 1.00 0.00 C ATOM 452 O ASP A 31 4.148 8.535 -4.081 1.00 0.00 O ATOM 453 CB ASP A 31 4.934 11.455 -4.659 1.00 0.00 C ATOM 454 CG ASP A 31 5.734 10.706 -3.611 1.00 0.00 C ATOM 455 OD1 ASP A 31 6.624 9.919 -3.995 1.00 0.00 O ATOM 456 OD2 ASP A 31 5.470 10.908 -2.408 1.00 0.00 O ATOM 0 H ASP A 31 2.857 12.402 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 31 4.274 10.105 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.609 11.827 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.464 12.325 -4.200 1.00 0.00 H new ATOM 461 N THR A 32 2.212 9.646 -3.790 1.00 0.00 N ATOM 462 CA THR A 32 1.673 8.678 -2.843 1.00 0.00 C ATOM 463 C THR A 32 0.549 7.862 -3.472 1.00 0.00 C ATOM 464 O THR A 32 0.182 6.800 -2.968 1.00 0.00 O ATOM 465 CB THR A 32 1.142 9.369 -1.573 1.00 0.00 C ATOM 466 OG1 THR A 32 0.720 8.387 -0.620 1.00 0.00 O ATOM 467 CG2 THR A 32 -0.021 10.292 -1.906 1.00 0.00 C ATOM 0 H THR A 32 1.592 10.431 -3.989 1.00 0.00 H new ATOM 0 HA THR A 32 2.492 8.013 -2.569 1.00 0.00 H new ATOM 0 HB THR A 32 1.949 9.965 -1.146 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.374 7.601 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.380 10.769 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.311 11.056 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.828 9.713 -2.354 1.00 0.00 H new ATOM 475 N CYS A 33 0.005 8.364 -4.575 1.00 0.00 N ATOM 476 CA CYS A 33 -1.078 7.682 -5.273 1.00 0.00 C ATOM 477 C CYS A 33 -0.527 6.697 -6.301 1.00 0.00 C ATOM 478 O CYS A 33 -1.005 5.569 -6.413 1.00 0.00 O ATOM 479 CB CYS A 33 -1.988 8.700 -5.963 1.00 0.00 C ATOM 480 SG CYS A 33 -3.057 9.635 -4.822 1.00 0.00 S ATOM 0 H CYS A 33 0.297 9.242 -5.005 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.658 7.126 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.371 9.402 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.615 8.179 -6.687 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.787 10.471 -5.498 1.00 0.00 H new ATOM 485 N PHE A 34 0.482 7.133 -7.048 1.00 0.00 N ATOM 486 CA PHE A 34 1.098 6.291 -8.067 1.00 0.00 C ATOM 487 C PHE A 34 1.696 5.033 -7.444 1.00 0.00 C ATOM 488 O PHE A 34 2.736 5.088 -6.787 1.00 0.00 O ATOM 489 CB PHE A 34 2.182 7.069 -8.815 1.00 0.00 C ATOM 490 CG PHE A 34 2.750 6.327 -9.991 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.954 6.020 -11.083 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.079 5.936 -10.004 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.474 5.337 -12.167 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.604 5.253 -11.085 1.00 0.00 C ATOM 495 CZ PHE A 34 3.800 4.953 -12.167 1.00 0.00 C ATOM 0 H PHE A 34 0.890 8.064 -6.967 1.00 0.00 H new ATOM 0 HA PHE A 34 0.323 5.992 -8.773 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.766 8.016 -9.160 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.989 7.309 -8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.916 6.318 -11.087 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.712 6.167 -9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.844 5.104 -13.013 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.642 4.954 -11.083 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.208 4.419 -13.012 1.00 0.00 H new ATOM 505 N ARG A 35 1.032 3.902 -7.656 1.00 0.00 N ATOM 506 CA ARG A 35 1.497 2.631 -7.114 1.00 0.00 C ATOM 507 C ARG A 35 0.818 1.459 -7.817 1.00 0.00 C ATOM 508 O ARG A 35 -0.056 1.651 -8.663 1.00 0.00 O ATOM 509 CB ARG A 35 1.226 2.563 -5.610 1.00 0.00 C ATOM 510 CG ARG A 35 -0.253 2.554 -5.258 1.00 0.00 C ATOM 511 CD ARG A 35 -0.467 2.592 -3.752 1.00 0.00 C ATOM 512 NE ARG A 35 -1.700 3.287 -3.392 1.00 0.00 N ATOM 513 CZ ARG A 35 -2.912 2.847 -3.711 1.00 0.00 C ATOM 514 NH1 ARG A 35 -3.053 1.718 -4.392 1.00 0.00 N ATOM 515 NH2 ARG A 35 -3.986 3.536 -3.347 1.00 0.00 N ATOM 0 H ARG A 35 0.171 3.840 -8.199 1.00 0.00 H new ATOM 0 HA ARG A 35 2.571 2.563 -7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.693 1.665 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.701 3.415 -5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.743 3.412 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.721 1.660 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.498 1.574 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.380 3.088 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.626 4.158 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.230 1.185 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.985 1.382 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.881 4.404 -2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.916 3.198 -3.592 1.00 0.00 H new ATOM 529 N CYS A 36 1.226 0.245 -7.462 1.00 0.00 N ATOM 530 CA CYS A 36 0.658 -0.958 -8.058 1.00 0.00 C ATOM 531 C CYS A 36 -0.806 -1.122 -7.663 1.00 0.00 C ATOM 532 O CYS A 36 -1.297 -0.443 -6.761 1.00 0.00 O ATOM 533 CB CYS A 36 1.456 -2.190 -7.628 1.00 0.00 C ATOM 534 SG CYS A 36 1.336 -3.594 -8.783 1.00 0.00 S ATOM 0 H CYS A 36 1.948 0.069 -6.764 1.00 0.00 H new ATOM 0 HA CYS A 36 0.713 -0.858 -9.142 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.504 -1.911 -7.520 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.108 -2.510 -6.646 1.00 0.00 H new ATOM 0 HG CYS A 36 2.460 -4.248 -8.789 1.00 0.00 H new ATOM 539 N ALA A 37 -1.499 -2.029 -8.345 1.00 0.00 N ATOM 540 CA ALA A 37 -2.906 -2.284 -8.064 1.00 0.00 C ATOM 541 C ALA A 37 -3.090 -3.620 -7.352 1.00 0.00 C ATOM 542 O ALA A 37 -4.169 -3.920 -6.840 1.00 0.00 O ATOM 543 CB ALA A 37 -3.716 -2.255 -9.352 1.00 0.00 C ATOM 0 H ALA A 37 -1.109 -2.599 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.267 -1.496 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.765 -2.447 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.619 -1.276 -9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.345 -3.021 -10.032 1.00 0.00 H new ATOM 549 N LYS A 38 -2.030 -4.421 -7.323 1.00 0.00 N ATOM 550 CA LYS A 38 -2.073 -5.726 -6.674 1.00 0.00 C ATOM 551 C LYS A 38 -1.315 -5.700 -5.351 1.00 0.00 C ATOM 552 O LYS A 38 -1.846 -6.094 -4.312 1.00 0.00 O ATOM 553 CB LYS A 38 -1.480 -6.796 -7.593 1.00 0.00 C ATOM 554 CG LYS A 38 -2.139 -8.156 -7.447 1.00 0.00 C ATOM 555 CD LYS A 38 -1.984 -8.989 -8.709 1.00 0.00 C ATOM 556 CE LYS A 38 -3.099 -8.707 -9.704 1.00 0.00 C ATOM 557 NZ LYS A 38 -2.803 -9.279 -11.046 1.00 0.00 N ATOM 0 H LYS A 38 -1.130 -4.189 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.116 -5.969 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.572 -6.466 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.415 -6.893 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.698 -8.687 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.198 -8.026 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.020 -8.775 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.986 -10.048 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.034 -9.124 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.243 -7.630 -9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.587 -9.065 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.924 -8.862 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.691 -10.310 -10.967 1.00 0.00 H new ATOM 571 N CYS A 39 -0.072 -5.233 -5.395 1.00 0.00 N ATOM 572 CA CYS A 39 0.759 -5.155 -4.200 1.00 0.00 C ATOM 573 C CYS A 39 0.820 -3.724 -3.672 1.00 0.00 C ATOM 574 O CYS A 39 1.531 -3.435 -2.709 1.00 0.00 O ATOM 575 CB CYS A 39 2.172 -5.659 -4.502 1.00 0.00 C ATOM 576 SG CYS A 39 3.119 -4.586 -5.630 1.00 0.00 S ATOM 0 H CYS A 39 0.382 -4.903 -6.246 1.00 0.00 H new ATOM 0 HA CYS A 39 0.310 -5.788 -3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.720 -5.756 -3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.105 -6.656 -4.937 1.00 0.00 H new ATOM 0 HG CYS A 39 2.461 -4.437 -6.741 1.00 0.00 H new ATOM 581 N LEU A 40 0.069 -2.832 -4.309 1.00 0.00 N ATOM 582 CA LEU A 40 0.036 -1.431 -3.904 1.00 0.00 C ATOM 583 C LEU A 40 1.440 -0.919 -3.602 1.00 0.00 C ATOM 584 O LEU A 40 1.679 -0.309 -2.559 1.00 0.00 O ATOM 585 CB LEU A 40 -0.859 -1.256 -2.676 1.00 0.00 C ATOM 586 CG LEU A 40 -2.355 -1.099 -2.952 1.00 0.00 C ATOM 587 CD1 LEU A 40 -3.004 -2.458 -3.161 1.00 0.00 C ATOM 588 CD2 LEU A 40 -3.032 -0.352 -1.813 1.00 0.00 C ATOM 0 H LEU A 40 -0.525 -3.054 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.373 -0.849 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.719 -2.118 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.518 -0.380 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.478 -0.516 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.068 -2.327 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.538 -2.957 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.871 -3.066 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.096 -0.250 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.900 -0.907 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.586 0.637 -1.711 1.00 0.00 H new ATOM 600 N HIS A 41 2.367 -1.168 -4.522 1.00 0.00 N ATOM 601 CA HIS A 41 3.748 -0.729 -4.355 1.00 0.00 C ATOM 602 C HIS A 41 4.046 0.475 -5.243 1.00 0.00 C ATOM 603 O HIS A 41 3.785 0.469 -6.447 1.00 0.00 O ATOM 604 CB HIS A 41 4.711 -1.871 -4.682 1.00 0.00 C ATOM 605 CG HIS A 41 6.133 -1.578 -4.314 1.00 0.00 C ATOM 606 ND1 HIS A 41 6.777 -2.188 -3.258 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.036 -0.737 -4.869 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.015 -1.733 -3.179 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.197 -0.851 -4.145 1.00 0.00 N ATOM 0 H HIS A 41 2.187 -1.671 -5.391 1.00 0.00 H new ATOM 0 HA HIS A 41 3.887 -0.434 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.387 -2.770 -4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.657 -2.087 -5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.874 -0.096 -5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.753 -2.032 -2.449 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.060 -0.338 -4.324 1.00 0.00 H new ATOM 618 N PRO A 42 4.606 1.533 -4.639 1.00 0.00 N ATOM 619 CA PRO A 42 4.952 2.764 -5.356 1.00 0.00 C ATOM 620 C PRO A 42 6.123 2.567 -6.313 1.00 0.00 C ATOM 621 O PRO A 42 7.186 2.087 -5.918 1.00 0.00 O ATOM 622 CB PRO A 42 5.334 3.733 -4.235 1.00 0.00 C ATOM 623 CG PRO A 42 5.777 2.858 -3.113 1.00 0.00 C ATOM 624 CD PRO A 42 4.945 1.610 -3.208 1.00 0.00 C ATOM 0 HA PRO A 42 4.131 3.117 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.130 4.408 -4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.487 4.354 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.839 2.626 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.632 3.352 -2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.500 0.731 -2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.052 1.674 -2.587 1.00 0.00 H new ATOM 632 N LEU A 43 5.922 2.942 -7.571 1.00 0.00 N ATOM 633 CA LEU A 43 6.962 2.807 -8.585 1.00 0.00 C ATOM 634 C LEU A 43 7.474 4.175 -9.025 1.00 0.00 C ATOM 635 O LEU A 43 7.947 4.340 -10.149 1.00 0.00 O ATOM 636 CB LEU A 43 6.428 2.038 -9.794 1.00 0.00 C ATOM 637 CG LEU A 43 5.689 0.734 -9.487 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.352 0.006 -8.328 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.225 1.010 -9.177 1.00 0.00 C ATOM 0 H LEU A 43 5.048 3.342 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 43 7.791 2.252 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.754 2.692 -10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.265 1.811 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 43 5.739 0.095 -10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.813 -0.919 -8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.385 -0.225 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.333 0.640 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.715 0.071 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.154 1.669 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.755 1.489 -10.036 1.00 0.00 H new ATOM 651 N ALA A 44 7.378 5.153 -8.130 1.00 0.00 N ATOM 652 CA ALA A 44 7.835 6.506 -8.424 1.00 0.00 C ATOM 653 C ALA A 44 9.290 6.506 -8.880 1.00 0.00 C ATOM 654 O ALA A 44 9.671 7.266 -9.770 1.00 0.00 O ATOM 655 CB ALA A 44 7.662 7.398 -7.204 1.00 0.00 C ATOM 0 H ALA A 44 6.988 5.034 -7.195 1.00 0.00 H new ATOM 0 HA ALA A 44 7.226 6.900 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.007 8.405 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.609 7.431 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.246 6.998 -6.375 1.00 0.00 H new ATOM 661 N ASN A 45 10.099 5.651 -8.264 1.00 0.00 N ATOM 662 CA ASN A 45 11.513 5.554 -8.606 1.00 0.00 C ATOM 663 C ASN A 45 11.824 4.211 -9.260 1.00 0.00 C ATOM 664 O ASN A 45 12.956 3.957 -9.671 1.00 0.00 O ATOM 665 CB ASN A 45 12.375 5.737 -7.356 1.00 0.00 C ATOM 666 CG ASN A 45 12.315 7.152 -6.814 1.00 0.00 C ATOM 667 OD1 ASN A 45 12.126 8.108 -7.565 1.00 0.00 O ATOM 668 ND2 ASN A 45 12.478 7.291 -5.503 1.00 0.00 N ATOM 0 H ASN A 45 9.799 5.015 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 45 11.744 6.347 -9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.044 5.041 -6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.409 5.484 -7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.449 8.219 -5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.632 6.470 -4.918 1.00 0.00 H new ATOM 675 N GLU A 46 10.811 3.355 -9.353 1.00 0.00 N ATOM 676 CA GLU A 46 10.976 2.038 -9.957 1.00 0.00 C ATOM 677 C GLU A 46 10.254 1.960 -11.299 1.00 0.00 C ATOM 678 O GLU A 46 9.585 2.907 -11.713 1.00 0.00 O ATOM 679 CB GLU A 46 10.449 0.952 -9.017 1.00 0.00 C ATOM 680 CG GLU A 46 11.226 0.843 -7.716 1.00 0.00 C ATOM 681 CD GLU A 46 10.362 0.381 -6.558 1.00 0.00 C ATOM 682 OE1 GLU A 46 9.150 0.680 -6.567 1.00 0.00 O ATOM 683 OE2 GLU A 46 10.899 -0.277 -5.643 1.00 0.00 O ATOM 0 H GLU A 46 9.868 3.550 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 46 12.040 1.875 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.403 1.157 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.481 -0.009 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.053 0.146 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.662 1.813 -7.475 1.00 0.00 H new ATOM 690 N THR A 47 10.394 0.824 -11.975 1.00 0.00 N ATOM 691 CA THR A 47 9.758 0.622 -13.270 1.00 0.00 C ATOM 692 C THR A 47 8.345 0.072 -13.108 1.00 0.00 C ATOM 693 O THR A 47 8.057 -0.657 -12.159 1.00 0.00 O ATOM 694 CB THR A 47 10.574 -0.342 -14.152 1.00 0.00 C ATOM 695 OG1 THR A 47 11.971 -0.047 -14.038 1.00 0.00 O ATOM 696 CG2 THR A 47 10.146 -0.236 -15.608 1.00 0.00 C ATOM 0 H THR A 47 10.943 0.029 -11.646 1.00 0.00 H new ATOM 0 HA THR A 47 9.712 1.597 -13.756 1.00 0.00 H new ATOM 0 HB THR A 47 10.389 -1.359 -13.808 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.483 -0.665 -14.600 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.736 -0.926 -16.212 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.089 -0.489 -15.696 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.306 0.783 -15.961 1.00 0.00 H new ATOM 704 N PHE A 48 7.468 0.424 -14.042 1.00 0.00 N ATOM 705 CA PHE A 48 6.084 -0.035 -14.003 1.00 0.00 C ATOM 706 C PHE A 48 5.628 -0.506 -15.381 1.00 0.00 C ATOM 707 O PHE A 48 6.224 -0.152 -16.399 1.00 0.00 O ATOM 708 CB PHE A 48 5.168 1.084 -13.505 1.00 0.00 C ATOM 709 CG PHE A 48 5.193 2.311 -14.372 1.00 0.00 C ATOM 710 CD1 PHE A 48 6.150 3.293 -14.178 1.00 0.00 C ATOM 711 CD2 PHE A 48 4.258 2.481 -15.380 1.00 0.00 C ATOM 712 CE1 PHE A 48 6.176 4.422 -14.975 1.00 0.00 C ATOM 713 CE2 PHE A 48 4.279 3.607 -16.180 1.00 0.00 C ATOM 714 CZ PHE A 48 5.239 4.580 -15.977 1.00 0.00 C ATOM 0 H PHE A 48 7.691 1.025 -14.835 1.00 0.00 H new ATOM 0 HA PHE A 48 6.026 -0.877 -13.313 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.146 0.709 -13.450 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.461 1.359 -12.492 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.884 3.175 -13.395 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.504 1.725 -15.542 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.928 5.180 -14.814 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.546 3.727 -16.964 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.256 5.462 -16.600 1.00 0.00 H new ATOM 724 N VAL A 49 4.567 -1.306 -15.405 1.00 0.00 N ATOM 725 CA VAL A 49 4.030 -1.826 -16.657 1.00 0.00 C ATOM 726 C VAL A 49 2.533 -1.555 -16.766 1.00 0.00 C ATOM 727 O VAL A 49 1.768 -1.867 -15.855 1.00 0.00 O ATOM 728 CB VAL A 49 4.278 -3.340 -16.788 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.707 -3.863 -18.098 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.764 -3.647 -16.685 1.00 0.00 C ATOM 0 H VAL A 49 4.062 -1.608 -14.572 1.00 0.00 H new ATOM 0 HA VAL A 49 4.550 -1.310 -17.464 1.00 0.00 H new ATOM 0 HB VAL A 49 3.768 -3.847 -15.969 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.892 -4.935 -18.173 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.633 -3.677 -18.127 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.186 -3.353 -18.933 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.921 -4.721 -16.780 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.298 -3.131 -17.482 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.139 -3.309 -15.719 1.00 0.00 H new ATOM 740 N ALA A 50 2.123 -0.974 -17.889 1.00 0.00 N ATOM 741 CA ALA A 50 0.718 -0.665 -18.119 1.00 0.00 C ATOM 742 C ALA A 50 0.065 -1.709 -19.019 1.00 0.00 C ATOM 743 O ALA A 50 0.351 -1.780 -20.214 1.00 0.00 O ATOM 744 CB ALA A 50 0.576 0.722 -18.729 1.00 0.00 C ATOM 0 H ALA A 50 2.744 -0.708 -18.653 1.00 0.00 H new ATOM 0 HA ALA A 50 0.206 -0.682 -17.157 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.479 0.940 -18.896 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.997 1.463 -18.049 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.108 0.758 -19.679 1.00 0.00 H new ATOM 750 N LYS A 51 -0.811 -2.520 -18.436 1.00 0.00 N ATOM 751 CA LYS A 51 -1.505 -3.562 -19.184 1.00 0.00 C ATOM 752 C LYS A 51 -2.975 -3.634 -18.781 1.00 0.00 C ATOM 753 O LYS A 51 -3.310 -3.533 -17.601 1.00 0.00 O ATOM 754 CB LYS A 51 -0.835 -4.917 -18.953 1.00 0.00 C ATOM 755 CG LYS A 51 0.277 -5.223 -19.942 1.00 0.00 C ATOM 756 CD LYS A 51 1.183 -6.333 -19.437 1.00 0.00 C ATOM 757 CE LYS A 51 0.648 -7.706 -19.816 1.00 0.00 C ATOM 758 NZ LYS A 51 0.774 -7.966 -21.277 1.00 0.00 N ATOM 0 H LYS A 51 -1.057 -2.476 -17.447 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.449 -3.312 -20.243 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.428 -4.944 -17.942 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.590 -5.701 -19.014 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.156 -5.513 -20.899 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.866 -4.323 -20.118 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.183 -6.204 -19.851 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.275 -6.264 -18.353 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.190 -8.473 -19.263 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.399 -7.782 -19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.710 -8.989 -21.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.008 -7.478 -21.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.692 -7.613 -21.615 1.00 0.00 H new ATOM 772 N ASP A 52 -3.846 -3.811 -19.768 1.00 0.00 N ATOM 773 CA ASP A 52 -5.280 -3.899 -19.515 1.00 0.00 C ATOM 774 C ASP A 52 -5.767 -2.691 -18.721 1.00 0.00 C ATOM 775 O ASP A 52 -6.563 -2.827 -17.793 1.00 0.00 O ATOM 776 CB ASP A 52 -5.607 -5.188 -18.760 1.00 0.00 C ATOM 777 CG ASP A 52 -5.756 -6.380 -19.685 1.00 0.00 C ATOM 778 OD1 ASP A 52 -4.760 -6.750 -20.340 1.00 0.00 O ATOM 779 OD2 ASP A 52 -6.870 -6.942 -19.755 1.00 0.00 O ATOM 0 H ASP A 52 -3.585 -3.896 -20.750 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.794 -3.910 -20.476 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.819 -5.391 -18.035 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.530 -5.051 -18.197 1.00 0.00 H new ATOM 784 N ASN A 53 -5.283 -1.511 -19.093 1.00 0.00 N ATOM 785 CA ASN A 53 -5.669 -0.279 -18.414 1.00 0.00 C ATOM 786 C ASN A 53 -5.492 -0.411 -16.905 1.00 0.00 C ATOM 787 O ASN A 53 -6.301 0.095 -16.127 1.00 0.00 O ATOM 788 CB ASN A 53 -7.121 0.075 -18.740 1.00 0.00 C ATOM 789 CG ASN A 53 -7.376 0.153 -20.233 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.787 -0.825 -20.856 1.00 0.00 O ATOM 791 ND2 ASN A 53 -7.132 1.322 -20.814 1.00 0.00 N ATOM 0 H ASN A 53 -4.623 -1.381 -19.860 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.019 0.521 -18.769 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.782 -0.672 -18.300 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.371 1.032 -18.281 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.285 1.435 -21.816 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.792 2.107 -20.258 1.00 0.00 H new ATOM 798 N LYS A 54 -4.429 -1.096 -16.497 1.00 0.00 N ATOM 799 CA LYS A 54 -4.143 -1.294 -15.081 1.00 0.00 C ATOM 800 C LYS A 54 -2.645 -1.199 -14.809 1.00 0.00 C ATOM 801 O LYS A 54 -1.841 -1.843 -15.483 1.00 0.00 O ATOM 802 CB LYS A 54 -4.671 -2.655 -14.619 1.00 0.00 C ATOM 803 CG LYS A 54 -6.154 -2.654 -14.295 1.00 0.00 C ATOM 804 CD LYS A 54 -6.410 -2.254 -12.851 1.00 0.00 C ATOM 805 CE LYS A 54 -7.859 -1.848 -12.634 1.00 0.00 C ATOM 806 NZ LYS A 54 -8.148 -1.571 -11.199 1.00 0.00 N ATOM 0 H LYS A 54 -3.751 -1.524 -17.128 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.646 -0.506 -14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.478 -3.393 -15.397 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.115 -2.970 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.672 -1.965 -14.962 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.568 -3.646 -14.477 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.162 -3.086 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.755 -1.426 -12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.080 -0.961 -13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.516 -2.642 -12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.146 -1.297 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.961 -2.425 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.539 -0.797 -10.865 1.00 0.00 H new ATOM 820 N ILE A 55 -2.278 -0.393 -13.819 1.00 0.00 N ATOM 821 CA ILE A 55 -0.877 -0.217 -13.457 1.00 0.00 C ATOM 822 C ILE A 55 -0.380 -1.376 -12.601 1.00 0.00 C ATOM 823 O ILE A 55 -0.962 -1.690 -11.562 1.00 0.00 O ATOM 824 CB ILE A 55 -0.654 1.102 -12.694 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.229 2.279 -13.487 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.827 1.313 -12.422 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.763 2.323 -14.925 1.00 0.00 C ATOM 0 H ILE A 55 -2.931 0.149 -13.253 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.312 -0.189 -14.389 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.174 1.044 -11.738 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.317 2.223 -13.468 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.949 3.210 -12.994 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.968 2.249 -11.882 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.208 0.487 -11.821 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.368 1.354 -13.367 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.209 3.182 -15.426 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.323 2.411 -14.953 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.066 1.408 -15.434 1.00 0.00 H new ATOM 839 N LEU A 56 0.701 -2.010 -13.043 1.00 0.00 N ATOM 840 CA LEU A 56 1.279 -3.135 -12.316 1.00 0.00 C ATOM 841 C LEU A 56 2.802 -3.046 -12.297 1.00 0.00 C ATOM 842 O LEU A 56 3.408 -2.411 -13.161 1.00 0.00 O ATOM 843 CB LEU A 56 0.841 -4.456 -12.950 1.00 0.00 C ATOM 844 CG LEU A 56 -0.639 -4.811 -12.806 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.985 -6.014 -13.670 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.984 -5.082 -11.349 1.00 0.00 C ATOM 0 H LEU A 56 1.195 -1.764 -13.901 1.00 0.00 H new ATOM 0 HA LEU A 56 0.919 -3.096 -11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.085 -4.425 -14.012 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.431 -5.260 -12.511 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.231 -3.962 -13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.042 -6.253 -13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.777 -5.784 -14.715 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.384 -6.869 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.041 -5.333 -11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.384 -5.914 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.774 -4.193 -10.754 1.00 0.00 H new ATOM 858 N CYS A 57 3.415 -3.689 -11.309 1.00 0.00 N ATOM 859 CA CYS A 57 4.867 -3.685 -11.178 1.00 0.00 C ATOM 860 C CYS A 57 5.469 -4.956 -11.769 1.00 0.00 C ATOM 861 O CYS A 57 4.761 -5.927 -12.032 1.00 0.00 O ATOM 862 CB CYS A 57 5.267 -3.554 -9.707 1.00 0.00 C ATOM 863 SG CYS A 57 5.015 -5.071 -8.730 1.00 0.00 S ATOM 0 H CYS A 57 2.928 -4.220 -10.587 1.00 0.00 H new ATOM 0 HA CYS A 57 5.255 -2.829 -11.730 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.318 -3.269 -9.651 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.693 -2.745 -9.256 1.00 0.00 H new ATOM 0 HG CYS A 57 4.355 -4.785 -7.647 1.00 0.00 H new ATOM 868 N ASN A 58 6.782 -4.942 -11.975 1.00 0.00 N ATOM 869 CA ASN A 58 7.481 -6.093 -12.535 1.00 0.00 C ATOM 870 C ASN A 58 7.256 -7.335 -11.678 1.00 0.00 C ATOM 871 O ASN A 58 7.148 -8.448 -12.194 1.00 0.00 O ATOM 872 CB ASN A 58 8.979 -5.801 -12.647 1.00 0.00 C ATOM 873 CG ASN A 58 9.260 -4.368 -13.057 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.648 -3.540 -12.233 1.00 0.00 O ATOM 875 ND2 ASN A 58 9.064 -4.070 -14.336 1.00 0.00 N ATOM 0 H ASN A 58 7.383 -4.146 -11.762 1.00 0.00 H new ATOM 0 HA ASN A 58 7.079 -6.282 -13.530 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.458 -6.002 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.425 -6.478 -13.375 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.236 -3.122 -14.671 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.742 -4.789 -14.984 1.00 0.00 H new ATOM 882 N LYS A 59 7.187 -7.138 -10.366 1.00 0.00 N ATOM 883 CA LYS A 59 6.973 -8.240 -9.436 1.00 0.00 C ATOM 884 C LYS A 59 5.676 -8.977 -9.755 1.00 0.00 C ATOM 885 O LYS A 59 5.649 -10.206 -9.824 1.00 0.00 O ATOM 886 CB LYS A 59 6.937 -7.721 -7.997 1.00 0.00 C ATOM 887 CG LYS A 59 7.225 -8.790 -6.957 1.00 0.00 C ATOM 888 CD LYS A 59 6.603 -8.445 -5.615 1.00 0.00 C ATOM 889 CE LYS A 59 7.461 -7.457 -4.840 1.00 0.00 C ATOM 890 NZ LYS A 59 8.753 -8.062 -4.413 1.00 0.00 N ATOM 0 H LYS A 59 7.276 -6.224 -9.922 1.00 0.00 H new ATOM 0 HA LYS A 59 7.803 -8.939 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.666 -6.917 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.956 -7.289 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.838 -9.749 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.303 -8.905 -6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.610 -8.022 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.474 -9.354 -5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.657 -6.582 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.914 -7.111 -3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.144 -7.520 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.594 -9.046 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.425 -8.043 -5.207 1.00 0.00 H new ATOM 904 N CYS A 60 4.603 -8.219 -9.950 1.00 0.00 N ATOM 905 CA CYS A 60 3.302 -8.799 -10.263 1.00 0.00 C ATOM 906 C CYS A 60 3.289 -9.375 -11.675 1.00 0.00 C ATOM 907 O CYS A 60 3.017 -10.560 -11.873 1.00 0.00 O ATOM 908 CB CYS A 60 2.203 -7.745 -10.120 1.00 0.00 C ATOM 909 SG CYS A 60 1.911 -7.201 -8.406 1.00 0.00 S ATOM 0 H CYS A 60 4.608 -7.200 -9.897 1.00 0.00 H new ATOM 0 HA CYS A 60 3.114 -9.609 -9.558 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.466 -6.877 -10.725 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.274 -8.147 -10.525 1.00 0.00 H new ATOM 0 HG CYS A 60 1.650 -5.928 -8.393 1.00 0.00 H new ATOM 914 N THR A 61 3.586 -8.529 -12.657 1.00 0.00 N ATOM 915 CA THR A 61 3.608 -8.953 -14.051 1.00 0.00 C ATOM 916 C THR A 61 4.175 -10.361 -14.189 1.00 0.00 C ATOM 917 O THR A 61 3.592 -11.214 -14.858 1.00 0.00 O ATOM 918 CB THR A 61 4.440 -7.989 -14.918 1.00 0.00 C ATOM 919 OG1 THR A 61 5.758 -7.856 -14.375 1.00 0.00 O ATOM 920 CG2 THR A 61 3.778 -6.622 -14.996 1.00 0.00 C ATOM 0 H THR A 61 3.815 -7.546 -12.512 1.00 0.00 H new ATOM 0 HA THR A 61 2.575 -8.945 -14.400 1.00 0.00 H new ATOM 0 HB THR A 61 4.502 -8.403 -15.925 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.830 -8.389 -13.556 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.384 -5.959 -15.613 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.786 -6.723 -15.437 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.689 -6.203 -13.994 1.00 0.00 H new ATOM 1004 N PRO A 67 2.080 -21.922 -6.051 1.00 0.00 N ATOM 1005 CA PRO A 67 1.052 -21.961 -5.006 1.00 0.00 C ATOM 1006 C PRO A 67 1.465 -22.826 -3.819 1.00 0.00 C ATOM 1007 O PRO A 67 2.445 -23.567 -3.889 1.00 0.00 O ATOM 1008 CB PRO A 67 -0.156 -22.572 -5.719 1.00 0.00 C ATOM 1009 CG PRO A 67 0.426 -23.377 -6.830 1.00 0.00 C ATOM 1010 CD PRO A 67 1.665 -22.644 -7.265 1.00 0.00 C ATOM 0 HA PRO A 67 0.861 -20.974 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.741 -23.195 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.824 -21.799 -6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.666 -24.387 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.281 -23.473 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.439 -23.331 -7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.459 -21.960 -8.088 1.00 0.00 H new ATOM 1018 N LYS A 68 0.709 -22.728 -2.731 1.00 0.00 N ATOM 1019 CA LYS A 68 0.994 -23.502 -1.529 1.00 0.00 C ATOM 1020 C LYS A 68 -0.262 -24.205 -1.024 1.00 0.00 C ATOM 1021 O LYS A 68 -1.380 -23.825 -1.371 1.00 0.00 O ATOM 1022 CB LYS A 68 1.558 -22.594 -0.434 1.00 0.00 C ATOM 1023 CG LYS A 68 0.677 -21.396 -0.123 1.00 0.00 C ATOM 1024 CD LYS A 68 1.265 -20.545 0.990 1.00 0.00 C ATOM 1025 CE LYS A 68 1.128 -21.226 2.343 1.00 0.00 C ATOM 1026 NZ LYS A 68 2.238 -20.856 3.265 1.00 0.00 N ATOM 0 H LYS A 68 -0.106 -22.120 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 68 1.736 -24.259 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.696 -23.179 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.543 -22.241 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.556 -20.790 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.316 -21.739 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.318 -20.351 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.762 -19.578 1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.174 -20.950 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.115 -22.307 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.109 -21.340 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.146 -21.142 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.235 -19.827 3.416 1.00 0.00 H new ATOM 1040 N CYS A 69 -0.070 -25.231 -0.201 1.00 0.00 N ATOM 1041 CA CYS A 69 -1.187 -25.987 0.353 1.00 0.00 C ATOM 1042 C CYS A 69 -1.491 -25.540 1.780 1.00 0.00 C ATOM 1043 O CYS A 69 -0.673 -24.883 2.424 1.00 0.00 O ATOM 1044 CB CYS A 69 -0.877 -27.485 0.330 1.00 0.00 C ATOM 1045 SG CYS A 69 -2.313 -28.546 0.691 1.00 0.00 S ATOM 0 H CYS A 69 0.849 -25.558 0.097 1.00 0.00 H new ATOM 0 HA CYS A 69 -2.065 -25.796 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.481 -27.748 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.092 -27.694 1.057 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.148 -29.706 0.127 1.00 0.00 H new ATOM 1050 N LYS A 70 -2.672 -25.903 2.268 1.00 0.00 N ATOM 1051 CA LYS A 70 -3.085 -25.542 3.619 1.00 0.00 C ATOM 1052 C LYS A 70 -3.332 -26.788 4.464 1.00 0.00 C ATOM 1053 O LYS A 70 -3.300 -26.734 5.692 1.00 0.00 O ATOM 1054 CB LYS A 70 -4.352 -24.685 3.575 1.00 0.00 C ATOM 1055 CG LYS A 70 -4.390 -23.601 4.639 1.00 0.00 C ATOM 1056 CD LYS A 70 -4.742 -24.171 6.003 1.00 0.00 C ATOM 1057 CE LYS A 70 -5.054 -23.069 7.004 1.00 0.00 C ATOM 1058 NZ LYS A 70 -5.001 -23.564 8.408 1.00 0.00 N ATOM 0 H LYS A 70 -3.360 -26.447 1.748 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.280 -24.967 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.433 -24.221 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.222 -25.331 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.420 -23.106 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.121 -22.842 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.602 -24.834 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.912 -24.774 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.342 -22.253 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.044 -22.662 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.219 -22.784 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.698 -24.326 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.049 -23.929 8.612 1.00 0.00 H new ATOM 1072 N GLY A 71 -3.576 -27.912 3.796 1.00 0.00 N ATOM 1073 CA GLY A 71 -3.822 -29.156 4.501 1.00 0.00 C ATOM 1074 C GLY A 71 -2.556 -29.755 5.080 1.00 0.00 C ATOM 1075 O GLY A 71 -2.578 -30.349 6.159 1.00 0.00 O ATOM 0 H GLY A 71 -3.608 -27.983 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.537 -28.979 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.280 -29.872 3.819 1.00 0.00 H new ATOM 1079 N CYS A 72 -1.449 -29.601 4.362 1.00 0.00 N ATOM 1080 CA CYS A 72 -0.167 -30.133 4.808 1.00 0.00 C ATOM 1081 C CYS A 72 0.907 -29.048 4.794 1.00 0.00 C ATOM 1082 O CYS A 72 1.984 -29.218 5.365 1.00 0.00 O ATOM 1083 CB CYS A 72 0.261 -31.302 3.919 1.00 0.00 C ATOM 1084 SG CYS A 72 0.566 -30.843 2.183 1.00 0.00 S ATOM 0 H CYS A 72 -1.414 -29.112 3.468 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.286 -30.489 5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.168 -31.745 4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.512 -32.070 3.950 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.408 -30.096 1.754 1.00 0.00 H new ATOM 1089 N PHE A 73 0.605 -27.933 4.137 1.00 0.00 N ATOM 1090 CA PHE A 73 1.543 -26.821 4.047 1.00 0.00 C ATOM 1091 C PHE A 73 2.790 -27.223 3.265 1.00 0.00 C ATOM 1092 O PHE A 73 3.913 -27.092 3.754 1.00 0.00 O ATOM 1093 CB PHE A 73 1.937 -26.343 5.447 1.00 0.00 C ATOM 1094 CG PHE A 73 1.155 -25.150 5.915 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -0.217 -25.231 6.095 1.00 0.00 C ATOM 1096 CD2 PHE A 73 1.791 -23.947 6.176 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -0.939 -24.134 6.525 1.00 0.00 C ATOM 1098 CE2 PHE A 73 1.074 -22.846 6.606 1.00 0.00 C ATOM 1099 CZ PHE A 73 -0.293 -22.940 6.782 1.00 0.00 C ATOM 0 H PHE A 73 -0.282 -27.776 3.659 1.00 0.00 H new ATOM 0 HA PHE A 73 1.051 -26.005 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.796 -27.160 6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.999 -26.096 5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.727 -26.162 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.860 -23.868 6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.008 -24.210 6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.582 -21.914 6.804 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.855 -22.082 7.120 1.00 0.00 H new ATOM 1109 N LYS A 74 2.585 -27.715 2.048 1.00 0.00 N ATOM 1110 CA LYS A 74 3.691 -28.136 1.196 1.00 0.00 C ATOM 1111 C LYS A 74 3.578 -27.512 -0.191 1.00 0.00 C ATOM 1112 O LYS A 74 2.480 -27.220 -0.663 1.00 0.00 O ATOM 1113 CB LYS A 74 3.718 -29.662 1.079 1.00 0.00 C ATOM 1114 CG LYS A 74 4.195 -30.361 2.341 1.00 0.00 C ATOM 1115 CD LYS A 74 4.188 -31.871 2.179 1.00 0.00 C ATOM 1116 CE LYS A 74 4.332 -32.577 3.519 1.00 0.00 C ATOM 1117 NZ LYS A 74 5.722 -32.488 4.045 1.00 0.00 N ATOM 0 H LYS A 74 1.662 -27.832 1.629 1.00 0.00 H new ATOM 0 HA LYS A 74 4.620 -27.795 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.717 -30.017 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.368 -29.943 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.203 -30.025 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.554 -30.081 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.259 -32.182 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.002 -32.171 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.642 -32.135 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.051 -33.625 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.780 -32.981 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.377 -32.932 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.981 -31.489 4.173 1.00 0.00 H new ATOM 1131 N ALA A 75 4.721 -27.310 -0.838 1.00 0.00 N ATOM 1132 CA ALA A 75 4.750 -26.724 -2.172 1.00 0.00 C ATOM 1133 C ALA A 75 3.994 -27.594 -3.171 1.00 0.00 C ATOM 1134 O ALA A 75 4.309 -28.771 -3.345 1.00 0.00 O ATOM 1135 CB ALA A 75 6.187 -26.520 -2.628 1.00 0.00 C ATOM 0 H ALA A 75 5.639 -27.544 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 75 4.254 -25.754 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.193 -26.082 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.697 -25.851 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.701 -27.481 -2.650 1.00 0.00 H new ATOM 1141 N ILE A 76 2.996 -27.007 -3.823 1.00 0.00 N ATOM 1142 CA ILE A 76 2.197 -27.729 -4.805 1.00 0.00 C ATOM 1143 C ILE A 76 2.799 -27.609 -6.200 1.00 0.00 C ATOM 1144 O ILE A 76 3.295 -26.550 -6.586 1.00 0.00 O ATOM 1145 CB ILE A 76 0.746 -27.213 -4.838 1.00 0.00 C ATOM 1146 CG1 ILE A 76 0.135 -27.252 -3.435 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.088 -28.038 -5.807 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -1.186 -26.522 -3.331 1.00 0.00 C ATOM 0 H ILE A 76 2.722 -26.034 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 76 2.196 -28.776 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 76 0.752 -26.179 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.009 -28.291 -3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.840 -26.814 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.111 -27.661 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.338 -27.964 -6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.089 -29.081 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.560 -26.591 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.044 -25.474 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.906 -26.974 -4.013 1.00 0.00 H new ATOM 1160 N VAL A 77 2.751 -28.702 -6.956 1.00 0.00 N ATOM 1161 CA VAL A 77 3.289 -28.719 -8.311 1.00 0.00 C ATOM 1162 C VAL A 77 2.172 -28.674 -9.346 1.00 0.00 C ATOM 1163 O VAL A 77 1.089 -29.219 -9.131 1.00 0.00 O ATOM 1164 CB VAL A 77 4.152 -29.971 -8.556 1.00 0.00 C ATOM 1165 CG1 VAL A 77 4.833 -29.893 -9.914 1.00 0.00 C ATOM 1166 CG2 VAL A 77 5.177 -30.138 -7.445 1.00 0.00 C ATOM 0 H VAL A 77 2.345 -29.587 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 77 3.913 -27.831 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 77 3.501 -30.845 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.438 -30.786 -10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.077 -29.826 -10.697 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.472 -29.011 -9.950 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.778 -31.028 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.825 -29.262 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.664 -30.244 -6.489 1.00 0.00 H new ATOM 1176 N ALA A 78 2.442 -28.022 -10.472 1.00 0.00 N ATOM 1177 CA ALA A 78 1.460 -27.908 -11.544 1.00 0.00 C ATOM 1178 C ALA A 78 1.108 -29.278 -12.114 1.00 0.00 C ATOM 1179 O ALA A 78 -0.038 -29.533 -12.481 1.00 0.00 O ATOM 1180 CB ALA A 78 1.981 -26.994 -12.642 1.00 0.00 C ATOM 0 H ALA A 78 3.333 -27.564 -10.666 1.00 0.00 H new ATOM 0 HA ALA A 78 0.552 -27.474 -11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.238 -26.918 -13.436 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.174 -26.004 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.905 -27.404 -13.049 1.00 0.00 H new ATOM 1186 N GLY A 79 2.104 -30.156 -12.188 1.00 0.00 N ATOM 1187 CA GLY A 79 1.880 -31.489 -12.716 1.00 0.00 C ATOM 1188 C GLY A 79 1.348 -32.446 -11.668 1.00 0.00 C ATOM 1189 O GLY A 79 1.693 -33.628 -11.665 1.00 0.00 O ATOM 0 H GLY A 79 3.062 -29.968 -11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.174 -31.434 -13.545 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.815 -31.879 -13.118 1.00 0.00 H new ATOM 1193 N ASP A 80 0.508 -31.936 -10.774 1.00 0.00 N ATOM 1194 CA ASP A 80 -0.071 -32.754 -9.715 1.00 0.00 C ATOM 1195 C ASP A 80 -1.506 -32.326 -9.421 1.00 0.00 C ATOM 1196 O ASP A 80 -1.783 -31.143 -9.227 1.00 0.00 O ATOM 1197 CB ASP A 80 0.774 -32.654 -8.444 1.00 0.00 C ATOM 1198 CG ASP A 80 1.888 -33.682 -8.408 1.00 0.00 C ATOM 1199 OD1 ASP A 80 1.636 -34.844 -8.789 1.00 0.00 O ATOM 1200 OD2 ASP A 80 3.012 -33.325 -7.997 1.00 0.00 O ATOM 0 H ASP A 80 0.213 -30.960 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.082 -33.790 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.203 -31.655 -8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.132 -32.787 -7.573 1.00 0.00 H new ATOM 1205 N GLN A 81 -2.413 -33.297 -9.391 1.00 0.00 N ATOM 1206 CA GLN A 81 -3.819 -33.020 -9.123 1.00 0.00 C ATOM 1207 C GLN A 81 -3.977 -32.181 -7.859 1.00 0.00 C ATOM 1208 O GLN A 81 -3.454 -32.529 -6.802 1.00 0.00 O ATOM 1209 CB GLN A 81 -4.601 -34.327 -8.983 1.00 0.00 C ATOM 1210 CG GLN A 81 -4.753 -35.088 -10.290 1.00 0.00 C ATOM 1211 CD GLN A 81 -3.421 -35.501 -10.884 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -2.856 -34.796 -11.721 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -2.912 -36.649 -10.454 1.00 0.00 N ATOM 0 H GLN A 81 -2.199 -34.282 -9.549 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.219 -32.455 -9.965 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.098 -34.966 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.591 -34.107 -8.583 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.362 -35.976 -10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.289 -34.467 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.415 -37.201 -9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.018 -36.979 -10.818 1.00 0.00 H new ATOM 1222 N ASN A 82 -4.702 -31.073 -7.977 1.00 0.00 N ATOM 1223 CA ASN A 82 -4.929 -30.184 -6.844 1.00 0.00 C ATOM 1224 C ASN A 82 -6.355 -29.643 -6.853 1.00 0.00 C ATOM 1225 O ASN A 82 -7.039 -29.682 -7.876 1.00 0.00 O ATOM 1226 CB ASN A 82 -3.932 -29.023 -6.872 1.00 0.00 C ATOM 1227 CG ASN A 82 -2.552 -29.457 -7.330 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -1.959 -30.375 -6.765 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -2.036 -28.796 -8.360 1.00 0.00 N ATOM 0 H ASN A 82 -5.142 -30.770 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.783 -30.759 -5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.304 -28.244 -7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.860 -28.585 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.112 -29.043 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.564 -28.041 -8.798 1.00 0.00 H new ATOM 1236 N VAL A 83 -6.799 -29.139 -5.705 1.00 0.00 N ATOM 1237 CA VAL A 83 -8.143 -28.589 -5.581 1.00 0.00 C ATOM 1238 C VAL A 83 -8.102 -27.133 -5.132 1.00 0.00 C ATOM 1239 O VAL A 83 -7.791 -26.837 -3.979 1.00 0.00 O ATOM 1240 CB VAL A 83 -8.990 -29.399 -4.581 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -10.442 -28.946 -4.622 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -8.879 -30.888 -4.872 1.00 0.00 C ATOM 0 H VAL A 83 -6.247 -29.101 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.602 -28.649 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.606 -29.219 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.025 -29.529 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.501 -27.889 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.841 -29.095 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.484 -31.445 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.236 -31.089 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.838 -31.199 -4.787 1.00 0.00 H new ATOM 1252 N GLU A 84 -8.417 -26.227 -6.052 1.00 0.00 N ATOM 1253 CA GLU A 84 -8.416 -24.800 -5.751 1.00 0.00 C ATOM 1254 C GLU A 84 -9.804 -24.333 -5.322 1.00 0.00 C ATOM 1255 O GLU A 84 -10.782 -24.513 -6.047 1.00 0.00 O ATOM 1256 CB GLU A 84 -7.949 -24.000 -6.969 1.00 0.00 C ATOM 1257 CG GLU A 84 -7.383 -22.634 -6.618 1.00 0.00 C ATOM 1258 CD GLU A 84 -6.729 -21.952 -7.804 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -5.555 -22.264 -8.094 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -7.390 -21.106 -8.442 1.00 0.00 O ATOM 0 H GLU A 84 -8.676 -26.456 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.724 -24.629 -4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.189 -24.573 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.788 -23.872 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.183 -22.001 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.652 -22.743 -5.817 1.00 0.00 H new ATOM 1267 N TYR A 85 -9.880 -23.733 -4.140 1.00 0.00 N ATOM 1268 CA TYR A 85 -11.148 -23.242 -3.613 1.00 0.00 C ATOM 1269 C TYR A 85 -10.946 -21.958 -2.814 1.00 0.00 C ATOM 1270 O TYR A 85 -10.110 -21.899 -1.911 1.00 0.00 O ATOM 1271 CB TYR A 85 -11.804 -24.306 -2.731 1.00 0.00 C ATOM 1272 CG TYR A 85 -13.118 -23.866 -2.127 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -13.155 -23.180 -0.919 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -14.323 -24.135 -2.765 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -14.354 -22.777 -0.363 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -15.526 -23.734 -2.217 1.00 0.00 C ATOM 1277 CZ TYR A 85 -15.536 -23.056 -1.015 1.00 0.00 C ATOM 1278 OH TYR A 85 -16.732 -22.655 -0.466 1.00 0.00 O ATOM 0 H TYR A 85 -9.079 -23.575 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.803 -23.024 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -11.969 -25.206 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.117 -24.575 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.231 -22.958 -0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -14.319 -24.667 -3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.365 -22.246 0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -16.454 -23.950 -2.726 1.00 0.00 H new ATOM 0 HH TYR A 85 -17.469 -22.929 -1.051 1.00 0.00 H new ATOM 1288 N LYS A 86 -11.717 -20.930 -3.153 1.00 0.00 N ATOM 1289 CA LYS A 86 -11.626 -19.646 -2.468 1.00 0.00 C ATOM 1290 C LYS A 86 -10.181 -19.161 -2.411 1.00 0.00 C ATOM 1291 O LYS A 86 -9.736 -18.624 -1.398 1.00 0.00 O ATOM 1292 CB LYS A 86 -12.194 -19.759 -1.052 1.00 0.00 C ATOM 1293 CG LYS A 86 -12.841 -18.479 -0.552 1.00 0.00 C ATOM 1294 CD LYS A 86 -13.138 -18.549 0.936 1.00 0.00 C ATOM 1295 CE LYS A 86 -14.509 -19.152 1.203 1.00 0.00 C ATOM 1296 NZ LYS A 86 -15.001 -18.825 2.570 1.00 0.00 N ATOM 0 H LYS A 86 -12.412 -20.961 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.212 -18.920 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.931 -20.562 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.392 -20.042 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.182 -17.634 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.766 -18.299 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.374 -19.146 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.090 -17.548 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.219 -18.782 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.459 -20.234 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.938 -19.254 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.337 -19.200 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.073 -17.793 2.675 1.00 0.00 H new ATOM 1310 N GLY A 87 -9.453 -19.354 -3.507 1.00 0.00 N ATOM 1311 CA GLY A 87 -8.066 -18.929 -3.560 1.00 0.00 C ATOM 1312 C GLY A 87 -7.111 -20.007 -3.088 1.00 0.00 C ATOM 1313 O GLY A 87 -6.118 -20.303 -3.754 1.00 0.00 O ATOM 0 H GLY A 87 -9.799 -19.797 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.814 -18.647 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.938 -18.039 -2.944 1.00 0.00 H new ATOM 1317 N THR A 88 -7.409 -20.597 -1.935 1.00 0.00 N ATOM 1318 CA THR A 88 -6.568 -21.646 -1.372 1.00 0.00 C ATOM 1319 C THR A 88 -6.806 -22.977 -2.076 1.00 0.00 C ATOM 1320 O THR A 88 -7.947 -23.412 -2.233 1.00 0.00 O ATOM 1321 CB THR A 88 -6.823 -21.822 0.136 1.00 0.00 C ATOM 1322 OG1 THR A 88 -8.213 -22.071 0.373 1.00 0.00 O ATOM 1323 CG2 THR A 88 -6.386 -20.586 0.907 1.00 0.00 C ATOM 0 H THR A 88 -8.228 -20.366 -1.372 1.00 0.00 H new ATOM 0 HA THR A 88 -5.534 -21.338 -1.523 1.00 0.00 H new ATOM 0 HB THR A 88 -6.238 -22.673 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.685 -22.135 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.576 -20.734 1.970 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.321 -20.416 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.947 -19.720 0.555 1.00 0.00 H new ATOM 1331 N VAL A 89 -5.722 -23.621 -2.497 1.00 0.00 N ATOM 1332 CA VAL A 89 -5.814 -24.905 -3.182 1.00 0.00 C ATOM 1333 C VAL A 89 -5.241 -26.028 -2.324 1.00 0.00 C ATOM 1334 O VAL A 89 -4.089 -25.967 -1.893 1.00 0.00 O ATOM 1335 CB VAL A 89 -5.072 -24.875 -4.531 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -4.130 -23.683 -4.596 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -4.315 -26.176 -4.752 1.00 0.00 C ATOM 0 H VAL A 89 -4.770 -23.275 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.872 -25.093 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.808 -24.770 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.615 -23.679 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.701 -22.761 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.398 -23.754 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.797 -26.137 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.588 -26.315 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.017 -27.010 -4.753 1.00 0.00 H new ATOM 1347 N TRP A 90 -6.051 -27.051 -2.081 1.00 0.00 N ATOM 1348 CA TRP A 90 -5.625 -28.189 -1.274 1.00 0.00 C ATOM 1349 C TRP A 90 -5.327 -29.398 -2.154 1.00 0.00 C ATOM 1350 O TRP A 90 -6.024 -29.650 -3.137 1.00 0.00 O ATOM 1351 CB TRP A 90 -6.700 -28.543 -0.246 1.00 0.00 C ATOM 1352 CG TRP A 90 -7.211 -27.356 0.512 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -7.865 -26.274 -0.004 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -7.109 -27.130 1.922 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -8.176 -25.389 1.000 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -7.724 -25.892 2.192 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -6.561 -27.855 2.984 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -7.802 -25.364 3.478 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -6.639 -27.330 4.260 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -7.257 -26.095 4.498 1.00 0.00 C ATOM 0 H TRP A 90 -7.007 -27.117 -2.431 1.00 0.00 H new ATOM 0 HA TRP A 90 -4.711 -27.910 -0.750 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -7.534 -29.027 -0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -6.293 -29.268 0.459 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.103 -26.134 -1.048 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.664 -24.502 0.878 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -6.085 -28.809 2.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.276 -24.411 3.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -6.217 -27.881 5.088 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.304 -25.713 5.507 1.00 0.00 H new ATOM 1371 N HIS A 91 -4.287 -30.144 -1.794 1.00 0.00 N ATOM 1372 CA HIS A 91 -3.897 -31.329 -2.552 1.00 0.00 C ATOM 1373 C HIS A 91 -5.081 -32.275 -2.727 1.00 0.00 C ATOM 1374 O HIS A 91 -5.819 -32.546 -1.780 1.00 0.00 O ATOM 1375 CB HIS A 91 -2.750 -32.054 -1.849 1.00 0.00 C ATOM 1376 CG HIS A 91 -1.425 -31.374 -2.006 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -0.744 -30.800 -0.953 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -0.655 -31.178 -3.102 1.00 0.00 C ATOM 1379 CE1 HIS A 91 0.387 -30.279 -1.395 1.00 0.00 C ATOM 1380 NE2 HIS A 91 0.466 -30.495 -2.695 1.00 0.00 N ATOM 0 H HIS A 91 -3.700 -29.950 -0.983 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.563 -31.007 -3.538 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.982 -32.139 -0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -2.677 -33.068 -2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.880 -31.499 -4.109 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.122 -29.764 -0.795 1.00 0.00 H new ATOM 0 HE2 HIS A 91 1.234 -30.203 -3.299 1.00 0.00 H new ATOM 1388 N LYS A 92 -5.258 -32.773 -3.946 1.00 0.00 N ATOM 1389 CA LYS A 92 -6.352 -33.689 -4.247 1.00 0.00 C ATOM 1390 C LYS A 92 -6.657 -34.585 -3.051 1.00 0.00 C ATOM 1391 O LYS A 92 -7.808 -34.952 -2.816 1.00 0.00 O ATOM 1392 CB LYS A 92 -6.005 -34.547 -5.466 1.00 0.00 C ATOM 1393 CG LYS A 92 -7.220 -35.136 -6.162 1.00 0.00 C ATOM 1394 CD LYS A 92 -8.021 -34.066 -6.885 1.00 0.00 C ATOM 1395 CE LYS A 92 -9.220 -34.660 -7.608 1.00 0.00 C ATOM 1396 NZ LYS A 92 -9.727 -33.756 -8.677 1.00 0.00 N ATOM 0 H LYS A 92 -4.658 -32.558 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.239 -33.095 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.447 -33.941 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.347 -35.358 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.900 -35.896 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.855 -35.634 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.361 -33.318 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.380 -33.553 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.942 -35.619 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.016 -34.856 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.544 -34.197 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.016 -32.850 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.975 -33.589 -9.376 1.00 0.00 H new ATOM 1410 N ASP A 93 -5.619 -34.931 -2.298 1.00 0.00 N ATOM 1411 CA ASP A 93 -5.776 -35.781 -1.124 1.00 0.00 C ATOM 1412 C ASP A 93 -6.199 -34.960 0.090 1.00 0.00 C ATOM 1413 O ASP A 93 -7.102 -35.348 0.832 1.00 0.00 O ATOM 1414 CB ASP A 93 -4.471 -36.521 -0.825 1.00 0.00 C ATOM 1415 CG ASP A 93 -3.298 -35.578 -0.649 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -3.088 -35.096 0.484 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -2.589 -35.321 -1.644 1.00 0.00 O ATOM 0 H ASP A 93 -4.660 -34.636 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.558 -36.510 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.594 -37.116 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.256 -37.216 -1.637 1.00 0.00 H new ATOM 1422 N CYS A 94 -5.539 -33.823 0.287 1.00 0.00 N ATOM 1423 CA CYS A 94 -5.844 -32.946 1.412 1.00 0.00 C ATOM 1424 C CYS A 94 -7.285 -32.449 1.338 1.00 0.00 C ATOM 1425 O CYS A 94 -7.942 -32.262 2.362 1.00 0.00 O ATOM 1426 CB CYS A 94 -4.883 -31.757 1.433 1.00 0.00 C ATOM 1427 SG CYS A 94 -3.175 -32.190 1.896 1.00 0.00 S ATOM 0 H CYS A 94 -4.789 -33.487 -0.318 1.00 0.00 H new ATOM 0 HA CYS A 94 -5.722 -33.519 2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.874 -31.293 0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.260 -31.011 2.133 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.877 -33.358 1.410 1.00 0.00 H new ATOM 1432 N PHE A 95 -7.770 -32.237 0.119 1.00 0.00 N ATOM 1433 CA PHE A 95 -9.133 -31.760 -0.089 1.00 0.00 C ATOM 1434 C PHE A 95 -10.136 -32.901 0.054 1.00 0.00 C ATOM 1435 O PHE A 95 -10.055 -33.905 -0.654 1.00 0.00 O ATOM 1436 CB PHE A 95 -9.266 -31.119 -1.472 1.00 0.00 C ATOM 1437 CG PHE A 95 -10.436 -30.186 -1.590 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -10.478 -29.010 -0.859 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -11.495 -30.485 -2.432 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -11.554 -28.149 -0.966 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -12.575 -29.628 -2.543 1.00 0.00 C ATOM 1442 CZ PHE A 95 -12.604 -28.459 -1.809 1.00 0.00 C ATOM 0 H PHE A 95 -7.240 -32.388 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.350 -31.011 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.351 -30.572 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.362 -31.906 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.661 -28.763 -0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.477 -31.398 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -11.574 -27.235 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -13.394 -29.873 -3.203 1.00 0.00 H new ATOM 0 HZ PHE A 95 -13.446 -27.788 -1.894 1.00 0.00 H new