USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 551 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 74 LYS NZ :NH3+ 175:sc=-0.00184 (180deg=-0.0437) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -169:sc= 0.0928 (180deg=-0.0439) USER MOD Set 2.1: A 45 SER OG : rot 73:sc= 1.25 USER MOD Set 2.2: A 58 THR OG1 : rot 130:sc= 0.0137 USER MOD Set 3.1: A 46 HIS : no HD1:sc= 0.989 K(o=1.9,f=-8.7!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= 0.95 K(o=1.9,f=-8.6!) USER MOD Single : A 12 GLN : amide:sc= 2.96 K(o=3,f=-9.1!) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= -0.0104 (180deg=-0.134) USER MOD Single : A 17 THR OG1 : rot -33:sc= 0.936 USER MOD Single : A 22 SER OG : rot 160:sc= 0.829 USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= 1.07 (180deg=0.497) USER MOD Single : A 27 SER OG : rot -33:sc= 0.712 USER MOD Single : A 32 THR OG1 : rot 69:sc= 0.721 USER MOD Single : A 36 THR OG1 : rot 47:sc= 0.393 USER MOD Single : A 37 SER OG : rot 180:sc= 0.113 USER MOD Single : A 42 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-9!) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0299) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00255 USER MOD Single : A 53 GLN : amide:sc= 0.105 K(o=0.1,f=-5!) USER MOD Single : A 55 MET CE :methyl -179:sc= 0 (180deg=-0.00511) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.73 F(o=-2.4,f=-1.7) USER MOD Single : A 64 ASN : amide:sc= 0.441 K(o=0.44,f=-3.6!) USER MOD Single : A 69 GLN : amide:sc= -0.516 K(o=-0.52,f=-6.4!) USER MOD Single : A 70 THR OG1 : rot -50:sc= 0.505 USER MOD Single : A 71 SER OG : rot 180:sc= -0.168 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.089) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0591) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.731 0.309 -7.500 1.00 0.00 N ATOM 62 CA GLY A 5 13.284 1.292 -6.528 1.00 0.00 C ATOM 63 C GLY A 5 13.229 0.651 -5.146 1.00 0.00 C ATOM 64 O GLY A 5 12.251 0.829 -4.424 1.00 0.00 O ATOM 0 HA2 GLY A 5 13.963 2.145 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.300 1.671 -6.804 1.00 0.00 H new ATOM 68 N ALA A 6 14.274 -0.111 -4.798 1.00 0.00 N ATOM 69 CA ALA A 6 14.393 -0.817 -3.531 1.00 0.00 C ATOM 70 C ALA A 6 14.609 0.184 -2.401 1.00 0.00 C ATOM 71 O ALA A 6 15.622 0.880 -2.377 1.00 0.00 O ATOM 72 CB ALA A 6 15.542 -1.826 -3.610 1.00 0.00 C ATOM 0 H ALA A 6 15.077 -0.252 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 6 13.473 -1.365 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.629 -2.353 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.342 -2.543 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.474 -1.301 -3.820 1.00 0.00 H new ATOM 78 N CYS A 7 13.632 0.294 -1.502 1.00 0.00 N ATOM 79 CA CYS A 7 13.671 1.185 -0.354 1.00 0.00 C ATOM 80 C CYS A 7 13.037 0.473 0.830 1.00 0.00 C ATOM 81 O CYS A 7 12.240 -0.444 0.646 1.00 0.00 O ATOM 82 CB CYS A 7 13.011 2.516 -0.697 1.00 0.00 C ATOM 83 SG CYS A 7 11.264 2.449 -1.136 1.00 0.00 S ATOM 0 H CYS A 7 12.771 -0.250 -1.558 1.00 0.00 H new ATOM 0 HA CYS A 7 14.697 1.429 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 7 13.124 3.184 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.556 2.965 -1.528 1.00 0.00 H new ATOM 88 N GLU A 8 13.402 0.896 2.040 1.00 0.00 N ATOM 89 CA GLU A 8 12.978 0.290 3.290 1.00 0.00 C ATOM 90 C GLU A 8 11.830 1.084 3.911 1.00 0.00 C ATOM 91 O GLU A 8 10.894 0.490 4.437 1.00 0.00 O ATOM 92 CB GLU A 8 14.167 0.229 4.262 1.00 0.00 C ATOM 93 CG GLU A 8 15.344 -0.614 3.743 1.00 0.00 C ATOM 94 CD GLU A 8 16.163 0.103 2.671 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.742 1.160 3.010 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.185 -0.407 1.531 1.00 0.00 O ATOM 0 H GLU A 8 14.021 1.696 2.175 1.00 0.00 H new ATOM 0 HA GLU A 8 12.624 -0.721 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.516 1.242 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.828 -0.182 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.995 -0.872 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.962 -1.550 3.335 1.00 0.00 H new ATOM 103 N ARG A 9 11.915 2.418 3.858 1.00 0.00 N ATOM 104 CA ARG A 9 10.910 3.318 4.418 1.00 0.00 C ATOM 105 C ARG A 9 10.655 4.510 3.494 1.00 0.00 C ATOM 106 O ARG A 9 11.590 5.182 3.059 1.00 0.00 O ATOM 107 CB ARG A 9 11.267 3.779 5.838 1.00 0.00 C ATOM 108 CG ARG A 9 12.731 4.196 6.042 1.00 0.00 C ATOM 109 CD ARG A 9 13.539 3.115 6.768 1.00 0.00 C ATOM 110 NE ARG A 9 13.153 3.017 8.182 1.00 0.00 N ATOM 111 CZ ARG A 9 13.800 2.289 9.103 1.00 0.00 C ATOM 112 NH1 ARG A 9 14.849 1.537 8.753 1.00 0.00 N ATOM 113 NH2 ARG A 9 13.394 2.322 10.377 1.00 0.00 N ATOM 0 H ARG A 9 12.696 2.906 3.418 1.00 0.00 H new ATOM 0 HA ARG A 9 9.984 2.749 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.626 4.621 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.036 2.972 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.188 4.402 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.768 5.123 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.384 2.153 6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.602 3.342 6.694 1.00 0.00 H new ATOM 0 HE ARG A 9 12.332 3.541 8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.160 1.516 7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.338 0.985 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.596 2.899 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.882 1.770 11.082 1.00 0.00 H new ATOM 127 N ASP A 10 9.367 4.749 3.227 1.00 0.00 N ATOM 128 CA ASP A 10 8.748 5.745 2.352 1.00 0.00 C ATOM 129 C ASP A 10 9.618 6.966 2.060 1.00 0.00 C ATOM 130 O ASP A 10 9.876 7.293 0.900 1.00 0.00 O ATOM 131 CB ASP A 10 7.412 6.199 2.964 1.00 0.00 C ATOM 132 CG ASP A 10 6.552 5.069 3.500 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.771 3.895 3.120 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.689 5.371 4.351 1.00 0.00 O ATOM 0 H ASP A 10 8.649 4.179 3.674 1.00 0.00 H new ATOM 0 HA ASP A 10 8.600 5.251 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.617 6.899 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.846 6.743 2.208 1.00 0.00 H new ATOM 139 N LEU A 11 10.039 7.642 3.132 1.00 0.00 N ATOM 140 CA LEU A 11 10.846 8.854 3.118 1.00 0.00 C ATOM 141 C LEU A 11 12.003 8.768 2.119 1.00 0.00 C ATOM 142 O LEU A 11 12.282 9.737 1.416 1.00 0.00 O ATOM 143 CB LEU A 11 11.355 9.117 4.543 1.00 0.00 C ATOM 144 CG LEU A 11 12.209 10.388 4.689 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.424 11.653 4.321 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.694 10.498 6.139 1.00 0.00 C ATOM 0 H LEU A 11 9.812 7.339 4.079 1.00 0.00 H new ATOM 0 HA LEU A 11 10.227 9.688 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.499 9.190 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.943 8.259 4.870 1.00 0.00 H new ATOM 0 HG LEU A 11 13.052 10.309 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.065 12.526 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.089 11.585 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.558 11.748 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.301 11.396 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.834 10.554 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.292 9.622 6.390 1.00 0.00 H new ATOM 158 N GLN A 12 12.680 7.619 2.058 1.00 0.00 N ATOM 159 CA GLN A 12 13.798 7.402 1.155 1.00 0.00 C ATOM 160 C GLN A 12 13.414 7.625 -0.309 1.00 0.00 C ATOM 161 O GLN A 12 14.250 8.071 -1.091 1.00 0.00 O ATOM 162 CB GLN A 12 14.305 5.968 1.319 1.00 0.00 C ATOM 163 CG GLN A 12 14.804 5.683 2.738 1.00 0.00 C ATOM 164 CD GLN A 12 15.231 4.226 2.856 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.388 3.335 2.846 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.526 3.948 2.952 1.00 0.00 N ATOM 0 H GLN A 12 12.461 6.811 2.641 1.00 0.00 H new ATOM 0 HA GLN A 12 14.573 8.124 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.503 5.272 1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.113 5.788 0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.643 6.337 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.017 5.900 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.211 4.704 2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.836 2.979 3.019 1.00 0.00 H new ATOM 175 N CYS A 13 12.179 7.274 -0.687 1.00 0.00 N ATOM 176 CA CYS A 13 11.722 7.356 -2.068 1.00 0.00 C ATOM 177 C CYS A 13 10.884 8.602 -2.328 1.00 0.00 C ATOM 178 O CYS A 13 11.166 9.349 -3.262 1.00 0.00 O ATOM 179 CB CYS A 13 10.965 6.089 -2.452 1.00 0.00 C ATOM 180 SG CYS A 13 10.838 5.931 -4.243 1.00 0.00 S ATOM 0 H CYS A 13 11.472 6.926 -0.039 1.00 0.00 H new ATOM 0 HA CYS A 13 12.605 7.440 -2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 13 11.475 5.218 -2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.967 6.110 -2.013 1.00 0.00 H new ATOM 185 N GLY A 14 9.851 8.833 -1.512 1.00 0.00 N ATOM 186 CA GLY A 14 8.991 9.999 -1.646 1.00 0.00 C ATOM 187 C GLY A 14 7.553 9.688 -1.241 1.00 0.00 C ATOM 188 O GLY A 14 7.031 8.618 -1.552 1.00 0.00 O ATOM 0 H GLY A 14 9.593 8.214 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.377 10.809 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.011 10.349 -2.678 1.00 0.00 H new ATOM 192 N LYS A 15 6.911 10.673 -0.604 1.00 0.00 N ATOM 193 CA LYS A 15 5.563 10.611 -0.043 1.00 0.00 C ATOM 194 C LYS A 15 4.497 10.120 -1.032 1.00 0.00 C ATOM 195 O LYS A 15 3.498 9.536 -0.622 1.00 0.00 O ATOM 196 CB LYS A 15 5.204 11.991 0.536 1.00 0.00 C ATOM 197 CG LYS A 15 4.011 11.917 1.497 1.00 0.00 C ATOM 198 CD LYS A 15 3.707 13.295 2.098 1.00 0.00 C ATOM 199 CE LYS A 15 2.522 13.232 3.071 1.00 0.00 C ATOM 200 NZ LYS A 15 2.812 12.388 4.245 1.00 0.00 N ATOM 0 H LYS A 15 7.345 11.585 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 15 5.570 9.860 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.067 12.400 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.972 12.677 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.134 11.545 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.225 11.207 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.588 13.669 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.486 14.002 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.272 14.240 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.647 12.841 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.059 12.507 4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.858 11.391 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.723 12.670 4.659 1.00 0.00 H new ATOM 214 N GLY A 16 4.687 10.363 -2.333 1.00 0.00 N ATOM 215 CA GLY A 16 3.764 9.893 -3.363 1.00 0.00 C ATOM 216 C GLY A 16 3.746 8.362 -3.474 1.00 0.00 C ATOM 217 O GLY A 16 2.918 7.792 -4.185 1.00 0.00 O ATOM 0 H GLY A 16 5.482 10.889 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.759 10.251 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.047 10.322 -4.324 1.00 0.00 H new ATOM 221 N THR A 17 4.675 7.684 -2.800 1.00 0.00 N ATOM 222 CA THR A 17 4.776 6.243 -2.782 1.00 0.00 C ATOM 223 C THR A 17 5.014 5.821 -1.329 1.00 0.00 C ATOM 224 O THR A 17 5.132 6.673 -0.448 1.00 0.00 O ATOM 225 CB THR A 17 5.979 5.834 -3.662 1.00 0.00 C ATOM 226 OG1 THR A 17 7.197 6.234 -3.059 1.00 0.00 O ATOM 227 CG2 THR A 17 5.948 6.453 -5.064 1.00 0.00 C ATOM 0 H THR A 17 5.393 8.144 -2.240 1.00 0.00 H new ATOM 0 HA THR A 17 3.874 5.766 -3.165 1.00 0.00 H new ATOM 0 HB THR A 17 5.909 4.750 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.061 7.073 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.821 6.123 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.042 6.136 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.958 7.540 -4.982 1.00 0.00 H new ATOM 235 N CYS A 18 5.091 4.517 -1.076 1.00 0.00 N ATOM 236 CA CYS A 18 5.457 3.963 0.213 1.00 0.00 C ATOM 237 C CYS A 18 6.353 2.751 -0.059 1.00 0.00 C ATOM 238 O CYS A 18 6.231 2.109 -1.105 1.00 0.00 O ATOM 239 CB CYS A 18 4.216 3.662 1.058 1.00 0.00 C ATOM 240 SG CYS A 18 3.800 1.918 1.200 1.00 0.00 S ATOM 0 H CYS A 18 4.895 3.806 -1.780 1.00 0.00 H new ATOM 0 HA CYS A 18 6.019 4.675 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.369 4.067 2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.365 4.190 0.628 1.00 0.00 H new ATOM 245 N CYS A 19 7.284 2.456 0.847 1.00 0.00 N ATOM 246 CA CYS A 19 8.277 1.401 0.647 1.00 0.00 C ATOM 247 C CYS A 19 7.737 0.072 1.153 1.00 0.00 C ATOM 248 O CYS A 19 8.066 -0.345 2.261 1.00 0.00 O ATOM 249 CB CYS A 19 9.579 1.794 1.336 1.00 0.00 C ATOM 250 SG CYS A 19 10.367 3.219 0.558 1.00 0.00 S ATOM 0 H CYS A 19 7.371 2.941 1.740 1.00 0.00 H new ATOM 0 HA CYS A 19 8.485 1.279 -0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.379 2.020 2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.266 0.948 1.318 1.00 0.00 H new ATOM 255 N ALA A 20 6.895 -0.581 0.350 1.00 0.00 N ATOM 256 CA ALA A 20 6.197 -1.812 0.716 1.00 0.00 C ATOM 257 C ALA A 20 6.709 -3.006 -0.074 1.00 0.00 C ATOM 258 O ALA A 20 7.409 -2.831 -1.071 1.00 0.00 O ATOM 259 CB ALA A 20 4.692 -1.639 0.516 1.00 0.00 C ATOM 0 H ALA A 20 6.675 -0.261 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 20 6.396 -2.011 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.180 -2.561 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.333 -0.823 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.488 -1.409 -0.530 1.00 0.00 H new ATOM 265 N VAL A 21 6.384 -4.216 0.397 1.00 0.00 N ATOM 266 CA VAL A 21 6.800 -5.462 -0.234 1.00 0.00 C ATOM 267 C VAL A 21 6.483 -5.402 -1.732 1.00 0.00 C ATOM 268 O VAL A 21 5.422 -4.933 -2.133 1.00 0.00 O ATOM 269 CB VAL A 21 6.168 -6.689 0.458 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.724 -7.991 -0.133 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.436 -6.684 1.970 1.00 0.00 C ATOM 0 H VAL A 21 5.819 -4.353 1.235 1.00 0.00 H new ATOM 0 HA VAL A 21 7.877 -5.581 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 21 5.093 -6.631 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.266 -8.843 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.498 -8.033 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.804 -8.024 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.976 -7.562 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.511 -6.704 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.011 -5.783 2.412 1.00 0.00 H new ATOM 281 N SER A 22 7.418 -5.844 -2.571 1.00 0.00 N ATOM 282 CA SER A 22 7.246 -5.828 -4.005 1.00 0.00 C ATOM 283 C SER A 22 6.051 -6.709 -4.379 1.00 0.00 C ATOM 284 O SER A 22 5.984 -7.893 -4.051 1.00 0.00 O ATOM 285 CB SER A 22 8.579 -6.124 -4.732 1.00 0.00 C ATOM 286 OG SER A 22 8.347 -6.607 -6.048 1.00 0.00 O ATOM 0 H SER A 22 8.315 -6.222 -2.265 1.00 0.00 H new ATOM 0 HA SER A 22 6.989 -4.831 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.183 -5.217 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.150 -6.860 -4.166 1.00 0.00 H new ATOM 0 HG SER A 22 9.155 -6.485 -6.588 1.00 0.00 H new ATOM 292 N LEU A 23 5.061 -6.088 -5.025 1.00 0.00 N ATOM 293 CA LEU A 23 3.863 -6.734 -5.548 1.00 0.00 C ATOM 294 C LEU A 23 4.242 -7.738 -6.643 1.00 0.00 C ATOM 295 O LEU A 23 3.451 -8.618 -6.971 1.00 0.00 O ATOM 296 CB LEU A 23 2.937 -5.648 -6.139 1.00 0.00 C ATOM 297 CG LEU A 23 1.929 -4.994 -5.179 1.00 0.00 C ATOM 298 CD1 LEU A 23 0.751 -5.938 -4.930 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.549 -4.550 -3.851 1.00 0.00 C ATOM 0 H LEU A 23 5.076 -5.084 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 23 3.353 -7.268 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.563 -4.862 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.380 -6.090 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 23 1.578 -4.086 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.043 -5.465 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.254 -6.157 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.115 -6.866 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.781 -4.098 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.972 -5.415 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.336 -3.821 -4.043 1.00 0.00 H new ATOM 311 N TRP A 24 5.446 -7.606 -7.206 1.00 0.00 N ATOM 312 CA TRP A 24 5.910 -8.371 -8.349 1.00 0.00 C ATOM 313 C TRP A 24 6.807 -9.525 -7.907 1.00 0.00 C ATOM 314 O TRP A 24 6.618 -10.655 -8.350 1.00 0.00 O ATOM 315 CB TRP A 24 6.582 -7.378 -9.304 1.00 0.00 C ATOM 316 CG TRP A 24 5.675 -6.219 -9.611 1.00 0.00 C ATOM 317 CD1 TRP A 24 4.715 -6.229 -10.561 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.458 -4.992 -8.842 1.00 0.00 C ATOM 319 NE1 TRP A 24 3.904 -5.122 -10.425 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.295 -4.345 -9.354 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.079 -4.392 -7.722 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.756 -3.193 -8.764 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.586 -3.197 -7.164 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.412 -2.612 -7.668 1.00 0.00 C ATOM 0 H TRP A 24 6.140 -6.942 -6.863 1.00 0.00 H new ATOM 0 HA TRP A 24 5.090 -8.858 -8.876 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.507 -7.011 -8.859 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.853 -7.886 -10.229 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.599 -6.992 -11.316 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.117 -4.906 -11.037 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.949 -4.860 -7.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.846 -2.757 -9.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.112 -2.728 -6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.015 -1.717 -7.213 1.00 0.00 H new ATOM 335 N ILE A 25 7.762 -9.253 -7.017 1.00 0.00 N ATOM 336 CA ILE A 25 8.666 -10.246 -6.465 1.00 0.00 C ATOM 337 C ILE A 25 8.712 -10.006 -4.957 1.00 0.00 C ATOM 338 O ILE A 25 9.437 -9.151 -4.462 1.00 0.00 O ATOM 339 CB ILE A 25 10.030 -10.213 -7.185 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.086 -10.971 -6.364 1.00 0.00 C ATOM 341 CG2 ILE A 25 10.503 -8.795 -7.532 1.00 0.00 C ATOM 342 CD1 ILE A 25 12.280 -11.431 -7.206 1.00 0.00 C ATOM 0 H ILE A 25 7.927 -8.313 -6.656 1.00 0.00 H new ATOM 0 HA ILE A 25 8.321 -11.267 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 25 9.893 -10.719 -8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.442 -10.329 -5.559 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.621 -11.839 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.468 -8.847 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.775 -8.319 -8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.602 -8.211 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.991 -11.960 -6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.933 -12.098 -7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.767 -10.563 -7.651 1.00 0.00 H new ATOM 354 N LYS A 26 7.976 -10.817 -4.200 1.00 0.00 N ATOM 355 CA LYS A 26 7.795 -10.667 -2.762 1.00 0.00 C ATOM 356 C LYS A 26 9.074 -10.845 -1.924 1.00 0.00 C ATOM 357 O LYS A 26 9.003 -10.828 -0.698 1.00 0.00 O ATOM 358 CB LYS A 26 6.678 -11.622 -2.316 1.00 0.00 C ATOM 359 CG LYS A 26 5.280 -11.211 -2.814 1.00 0.00 C ATOM 360 CD LYS A 26 5.042 -11.349 -4.327 1.00 0.00 C ATOM 361 CE LYS A 26 3.550 -11.252 -4.663 1.00 0.00 C ATOM 362 NZ LYS A 26 3.320 -11.342 -6.116 1.00 0.00 N ATOM 0 H LYS A 26 7.476 -11.619 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 26 7.514 -9.631 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.903 -12.625 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.667 -11.671 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.537 -11.814 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.105 -10.173 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.588 -10.569 -4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.435 -12.305 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.009 -12.051 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.151 -10.310 -4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.383 -11.757 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.363 -10.391 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.052 -11.942 -6.547 1.00 0.00 H new ATOM 376 N SER A 27 10.243 -10.997 -2.555 1.00 0.00 N ATOM 377 CA SER A 27 11.524 -11.125 -1.872 1.00 0.00 C ATOM 378 C SER A 27 12.201 -9.759 -1.688 1.00 0.00 C ATOM 379 O SER A 27 13.346 -9.721 -1.239 1.00 0.00 O ATOM 380 CB SER A 27 12.431 -12.079 -2.663 1.00 0.00 C ATOM 381 OG SER A 27 13.609 -12.357 -1.933 1.00 0.00 O ATOM 0 H SER A 27 10.321 -11.035 -3.571 1.00 0.00 H new ATOM 0 HA SER A 27 11.348 -11.535 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.898 -13.007 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.688 -11.634 -3.624 1.00 0.00 H new ATOM 0 HG SER A 27 13.865 -11.567 -1.412 1.00 0.00 H new ATOM 387 N VAL A 28 11.547 -8.656 -2.071 1.00 0.00 N ATOM 388 CA VAL A 28 12.076 -7.303 -1.939 1.00 0.00 C ATOM 389 C VAL A 28 10.943 -6.376 -1.512 1.00 0.00 C ATOM 390 O VAL A 28 9.791 -6.794 -1.553 1.00 0.00 O ATOM 391 CB VAL A 28 12.723 -6.884 -3.276 1.00 0.00 C ATOM 392 CG1 VAL A 28 11.814 -6.691 -4.478 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.550 -5.607 -3.161 1.00 0.00 C ATOM 0 H VAL A 28 10.617 -8.685 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 28 12.851 -7.249 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 28 13.330 -7.768 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.411 -6.398 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.295 -7.624 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.084 -5.912 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.980 -5.363 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.911 -4.788 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.351 -5.756 -2.437 1.00 0.00 H new ATOM 403 N ARG A 29 11.251 -5.144 -1.092 1.00 0.00 N ATOM 404 CA ARG A 29 10.267 -4.098 -0.848 1.00 0.00 C ATOM 405 C ARG A 29 10.736 -2.867 -1.623 1.00 0.00 C ATOM 406 O ARG A 29 11.938 -2.601 -1.681 1.00 0.00 O ATOM 407 CB ARG A 29 9.980 -3.862 0.644 1.00 0.00 C ATOM 408 CG ARG A 29 11.182 -3.571 1.539 1.00 0.00 C ATOM 409 CD ARG A 29 10.700 -2.919 2.846 1.00 0.00 C ATOM 410 NE ARG A 29 9.641 -3.708 3.501 1.00 0.00 N ATOM 411 CZ ARG A 29 9.831 -4.751 4.323 1.00 0.00 C ATOM 412 NH1 ARG A 29 11.043 -5.042 4.803 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.784 -5.502 4.673 1.00 0.00 N ATOM 0 H ARG A 29 12.210 -4.846 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 29 9.284 -4.396 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.284 -3.027 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.470 -4.743 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.719 -4.494 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.880 -2.910 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.543 -2.808 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.327 -1.917 2.635 1.00 0.00 H new ATOM 0 HE ARG A 29 8.676 -3.436 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.845 -4.467 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.166 -5.839 5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.855 -5.280 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.913 -6.298 5.297 1.00 0.00 H new ATOM 427 N VAL A 30 9.806 -2.188 -2.301 1.00 0.00 N ATOM 428 CA VAL A 30 10.103 -1.119 -3.242 1.00 0.00 C ATOM 429 C VAL A 30 9.116 0.042 -3.137 1.00 0.00 C ATOM 430 O VAL A 30 8.070 -0.061 -2.483 1.00 0.00 O ATOM 431 CB VAL A 30 10.060 -1.676 -4.685 1.00 0.00 C ATOM 432 CG1 VAL A 30 11.111 -2.760 -4.938 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.670 -2.239 -5.024 1.00 0.00 C ATOM 0 H VAL A 30 8.808 -2.374 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 30 11.095 -0.741 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 30 10.285 -0.829 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.031 -3.111 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.106 -2.348 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.945 -3.594 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.672 -2.623 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.426 -3.046 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.925 -1.448 -4.935 1.00 0.00 H new ATOM 443 N CYS A 31 9.462 1.125 -3.844 1.00 0.00 N ATOM 444 CA CYS A 31 8.649 2.323 -4.014 1.00 0.00 C ATOM 445 C CYS A 31 7.329 1.920 -4.671 1.00 0.00 C ATOM 446 O CYS A 31 7.205 1.913 -5.895 1.00 0.00 O ATOM 447 CB CYS A 31 9.342 3.352 -4.921 1.00 0.00 C ATOM 448 SG CYS A 31 11.022 3.881 -4.529 1.00 0.00 S ATOM 0 H CYS A 31 10.356 1.187 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 31 8.492 2.774 -3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.354 2.943 -5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.715 4.243 -4.945 1.00 0.00 H new ATOM 453 N THR A 32 6.326 1.601 -3.865 1.00 0.00 N ATOM 454 CA THR A 32 5.021 1.183 -4.339 1.00 0.00 C ATOM 455 C THR A 32 4.139 2.431 -4.258 1.00 0.00 C ATOM 456 O THR A 32 4.102 3.058 -3.201 1.00 0.00 O ATOM 457 CB THR A 32 4.537 0.050 -3.428 1.00 0.00 C ATOM 458 OG1 THR A 32 5.514 -0.976 -3.404 1.00 0.00 O ATOM 459 CG2 THR A 32 3.191 -0.545 -3.850 1.00 0.00 C ATOM 0 H THR A 32 6.401 1.627 -2.848 1.00 0.00 H new ATOM 0 HA THR A 32 5.013 0.801 -5.360 1.00 0.00 H new ATOM 0 HB THR A 32 4.391 0.483 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.314 -0.655 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.912 -1.341 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.428 0.233 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.273 -0.952 -4.858 1.00 0.00 H new ATOM 467 N PRO A 33 3.503 2.877 -5.353 1.00 0.00 N ATOM 468 CA PRO A 33 2.654 4.059 -5.332 1.00 0.00 C ATOM 469 C PRO A 33 1.590 4.006 -4.236 1.00 0.00 C ATOM 470 O PRO A 33 1.217 2.919 -3.793 1.00 0.00 O ATOM 471 CB PRO A 33 1.997 4.110 -6.713 1.00 0.00 C ATOM 472 CG PRO A 33 3.024 3.424 -7.612 1.00 0.00 C ATOM 473 CD PRO A 33 3.606 2.343 -6.701 1.00 0.00 C ATOM 0 HA PRO A 33 3.246 4.948 -5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.040 3.588 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.805 5.135 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.561 2.997 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.790 4.120 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.053 1.409 -6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.643 2.127 -6.960 1.00 0.00 H new ATOM 481 N VAL A 34 1.105 5.176 -3.795 1.00 0.00 N ATOM 482 CA VAL A 34 -0.044 5.221 -2.890 1.00 0.00 C ATOM 483 C VAL A 34 -1.153 4.320 -3.458 1.00 0.00 C ATOM 484 O VAL A 34 -1.346 4.241 -4.676 1.00 0.00 O ATOM 485 CB VAL A 34 -0.610 6.648 -2.722 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.001 7.449 -1.566 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.477 7.447 -4.017 1.00 0.00 C ATOM 0 H VAL A 34 1.486 6.088 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 34 0.293 4.879 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.660 6.498 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.460 8.437 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.182 6.927 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.073 7.554 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.883 8.448 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.575 7.519 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.028 6.945 -4.813 1.00 0.00 H new ATOM 497 N GLY A 35 -1.885 3.652 -2.567 1.00 0.00 N ATOM 498 CA GLY A 35 -2.975 2.766 -2.944 1.00 0.00 C ATOM 499 C GLY A 35 -3.922 3.523 -3.875 1.00 0.00 C ATOM 500 O GLY A 35 -4.498 4.538 -3.487 1.00 0.00 O ATOM 0 H GLY A 35 -1.734 3.714 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.585 1.878 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.509 2.425 -2.057 1.00 0.00 H new ATOM 504 N THR A 36 -4.025 3.069 -5.119 1.00 0.00 N ATOM 505 CA THR A 36 -4.816 3.700 -6.160 1.00 0.00 C ATOM 506 C THR A 36 -6.151 2.960 -6.301 1.00 0.00 C ATOM 507 O THR A 36 -6.301 1.841 -5.812 1.00 0.00 O ATOM 508 CB THR A 36 -3.954 3.727 -7.433 1.00 0.00 C ATOM 509 OG1 THR A 36 -2.753 4.428 -7.153 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.629 4.430 -8.614 1.00 0.00 C ATOM 0 H THR A 36 -3.545 2.227 -5.437 1.00 0.00 H new ATOM 0 HA THR A 36 -5.085 4.731 -5.928 1.00 0.00 H new ATOM 0 HB THR A 36 -3.782 2.688 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.376 4.106 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.964 4.411 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.558 3.916 -8.861 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.846 5.464 -8.346 1.00 0.00 H new ATOM 518 N SER A 37 -7.138 3.604 -6.929 1.00 0.00 N ATOM 519 CA SER A 37 -8.482 3.097 -7.143 1.00 0.00 C ATOM 520 C SER A 37 -8.510 1.619 -7.548 1.00 0.00 C ATOM 521 O SER A 37 -8.019 1.262 -8.616 1.00 0.00 O ATOM 522 CB SER A 37 -9.123 3.971 -8.222 1.00 0.00 C ATOM 523 OG SER A 37 -8.857 5.331 -7.923 1.00 0.00 O ATOM 0 H SER A 37 -7.008 4.538 -7.318 1.00 0.00 H new ATOM 0 HA SER A 37 -9.038 3.147 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.723 3.715 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.198 3.796 -8.261 1.00 0.00 H new ATOM 0 HG SER A 37 -9.262 5.902 -8.609 1.00 0.00 H new ATOM 529 N GLY A 38 -9.090 0.772 -6.695 1.00 0.00 N ATOM 530 CA GLY A 38 -9.250 -0.653 -6.935 1.00 0.00 C ATOM 531 C GLY A 38 -8.110 -1.502 -6.374 1.00 0.00 C ATOM 532 O GLY A 38 -8.243 -2.724 -6.333 1.00 0.00 O ATOM 0 H GLY A 38 -9.469 1.072 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.189 -0.984 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.325 -0.825 -8.009 1.00 0.00 H new ATOM 536 N GLU A 39 -6.997 -0.902 -5.937 1.00 0.00 N ATOM 537 CA GLU A 39 -5.889 -1.683 -5.408 1.00 0.00 C ATOM 538 C GLU A 39 -6.222 -2.196 -4.008 1.00 0.00 C ATOM 539 O GLU A 39 -7.022 -1.597 -3.284 1.00 0.00 O ATOM 540 CB GLU A 39 -4.589 -0.871 -5.414 1.00 0.00 C ATOM 541 CG GLU A 39 -4.160 -0.538 -6.852 1.00 0.00 C ATOM 542 CD GLU A 39 -2.769 0.086 -6.904 1.00 0.00 C ATOM 543 OE1 GLU A 39 -2.496 0.938 -6.031 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.007 -0.294 -7.819 1.00 0.00 O ATOM 0 H GLU A 39 -6.846 0.107 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.734 -2.546 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.728 0.050 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.800 -1.435 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.172 -1.447 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.882 0.148 -7.296 1.00 0.00 H new ATOM 551 N ASP A 40 -5.601 -3.323 -3.645 1.00 0.00 N ATOM 552 CA ASP A 40 -5.778 -3.941 -2.342 1.00 0.00 C ATOM 553 C ASP A 40 -5.231 -3.007 -1.263 1.00 0.00 C ATOM 554 O ASP A 40 -4.255 -2.296 -1.503 1.00 0.00 O ATOM 555 CB ASP A 40 -5.106 -5.318 -2.310 1.00 0.00 C ATOM 556 CG ASP A 40 -5.629 -6.154 -1.146 1.00 0.00 C ATOM 557 OD1 ASP A 40 -5.026 -6.055 -0.057 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.621 -6.880 -1.378 1.00 0.00 O ATOM 0 H ASP A 40 -4.960 -3.829 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.838 -4.100 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.292 -5.839 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.026 -5.198 -2.220 1.00 0.00 H new ATOM 563 N CYS A 41 -5.859 -2.992 -0.089 1.00 0.00 N ATOM 564 CA CYS A 41 -5.498 -2.096 0.999 1.00 0.00 C ATOM 565 C CYS A 41 -5.614 -2.803 2.339 1.00 0.00 C ATOM 566 O CYS A 41 -6.165 -3.897 2.433 1.00 0.00 O ATOM 567 CB CYS A 41 -6.416 -0.873 0.974 1.00 0.00 C ATOM 568 SG CYS A 41 -8.145 -1.246 1.344 1.00 0.00 S ATOM 0 H CYS A 41 -6.640 -3.609 0.132 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.463 -1.781 0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.050 -0.142 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.358 -0.407 -0.010 1.00 0.00 H new ATOM 573 N HIS A 42 -5.095 -2.149 3.377 1.00 0.00 N ATOM 574 CA HIS A 42 -5.141 -2.603 4.752 1.00 0.00 C ATOM 575 C HIS A 42 -5.538 -1.379 5.572 1.00 0.00 C ATOM 576 O HIS A 42 -4.943 -0.319 5.367 1.00 0.00 O ATOM 577 CB HIS A 42 -3.757 -3.123 5.156 1.00 0.00 C ATOM 578 CG HIS A 42 -3.724 -3.820 6.488 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.246 -3.254 7.650 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.233 -5.060 6.785 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.075 -4.192 8.588 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.471 -5.293 8.121 1.00 0.00 N ATOM 0 H HIS A 42 -4.614 -1.256 3.272 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.849 -3.417 4.907 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.402 -3.812 4.389 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.059 -2.286 5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.746 -5.735 6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.391 -4.074 9.614 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.235 -6.134 8.648 1.00 0.00 H new ATOM 590 N PRO A 43 -6.530 -1.463 6.468 1.00 0.00 N ATOM 591 CA PRO A 43 -6.940 -0.313 7.255 1.00 0.00 C ATOM 592 C PRO A 43 -5.783 0.245 8.094 1.00 0.00 C ATOM 593 O PRO A 43 -5.729 1.450 8.331 1.00 0.00 O ATOM 594 CB PRO A 43 -8.122 -0.791 8.105 1.00 0.00 C ATOM 595 CG PRO A 43 -7.948 -2.310 8.165 1.00 0.00 C ATOM 596 CD PRO A 43 -7.302 -2.643 6.821 1.00 0.00 C ATOM 0 HA PRO A 43 -7.239 0.523 6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.102 -0.348 9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.075 -0.516 7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.316 -2.610 9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.903 -2.820 8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.664 -3.523 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.056 -2.861 6.065 1.00 0.00 H new ATOM 604 N ALA A 44 -4.841 -0.606 8.517 1.00 0.00 N ATOM 605 CA ALA A 44 -3.711 -0.211 9.344 1.00 0.00 C ATOM 606 C ALA A 44 -2.429 -0.027 8.527 1.00 0.00 C ATOM 607 O ALA A 44 -1.359 -0.407 8.995 1.00 0.00 O ATOM 608 CB ALA A 44 -3.503 -1.266 10.437 1.00 0.00 C ATOM 0 H ALA A 44 -4.849 -1.600 8.288 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.937 0.756 9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.658 -0.980 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.401 -1.337 11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.302 -2.233 9.976 1.00 0.00 H new ATOM 614 N SER A 45 -2.471 0.616 7.353 1.00 0.00 N ATOM 615 CA SER A 45 -1.280 0.821 6.529 1.00 0.00 C ATOM 616 C SER A 45 -0.267 1.839 7.098 1.00 0.00 C ATOM 617 O SER A 45 0.527 2.403 6.345 1.00 0.00 O ATOM 618 CB SER A 45 -1.721 1.198 5.110 1.00 0.00 C ATOM 619 OG SER A 45 -2.398 0.129 4.481 1.00 0.00 O ATOM 0 H SER A 45 -3.325 1.005 6.953 1.00 0.00 H new ATOM 0 HA SER A 45 -0.731 -0.120 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.373 2.071 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.849 1.477 4.518 1.00 0.00 H new ATOM 0 HG SER A 45 -3.291 0.032 4.872 1.00 0.00 H new ATOM 625 N HIS A 46 -0.265 2.079 8.412 1.00 0.00 N ATOM 626 CA HIS A 46 0.664 2.922 9.172 1.00 0.00 C ATOM 627 C HIS A 46 0.812 4.387 8.730 1.00 0.00 C ATOM 628 O HIS A 46 1.633 5.102 9.299 1.00 0.00 O ATOM 629 CB HIS A 46 2.053 2.285 9.211 1.00 0.00 C ATOM 630 CG HIS A 46 2.056 0.835 9.600 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.294 0.408 10.906 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.762 -0.247 8.824 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.120 -0.917 10.864 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.784 -1.356 9.640 1.00 0.00 N ATOM 0 H HIS A 46 -0.967 1.657 9.020 1.00 0.00 H new ATOM 0 HA HIS A 46 0.196 2.971 10.155 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.514 2.387 8.229 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.675 2.839 9.914 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.551 -0.236 7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.237 -1.564 11.721 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.585 -2.319 9.369 1.00 0.00 H new ATOM 642 N LYS A 47 0.042 4.839 7.736 1.00 0.00 N ATOM 643 CA LYS A 47 0.106 6.165 7.144 1.00 0.00 C ATOM 644 C LYS A 47 1.500 6.437 6.550 1.00 0.00 C ATOM 645 O LYS A 47 2.335 5.536 6.515 1.00 0.00 O ATOM 646 CB LYS A 47 -0.364 7.205 8.160 1.00 0.00 C ATOM 647 CG LYS A 47 -1.835 7.043 8.563 1.00 0.00 C ATOM 648 CD LYS A 47 -2.774 7.268 7.368 1.00 0.00 C ATOM 649 CE LYS A 47 -4.216 7.515 7.825 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.759 6.368 8.576 1.00 0.00 N ATOM 0 H LYS A 47 -0.676 4.256 7.306 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.577 6.233 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.259 7.138 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.217 8.201 7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.994 6.044 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.076 7.752 9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.425 8.120 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.743 6.399 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.251 8.407 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.844 7.710 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.770 6.524 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.641 5.499 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.250 6.271 9.478 1.00 0.00 H new ATOM 664 N ILE A 48 1.729 7.632 5.993 1.00 0.00 N ATOM 665 CA ILE A 48 2.990 8.012 5.349 1.00 0.00 C ATOM 666 C ILE A 48 3.506 9.283 6.034 1.00 0.00 C ATOM 667 O ILE A 48 2.688 10.161 6.311 1.00 0.00 O ATOM 668 CB ILE A 48 2.761 8.267 3.838 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.017 7.093 3.181 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.083 8.516 3.096 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.916 7.179 1.654 1.00 0.00 C ATOM 0 H ILE A 48 1.030 8.375 5.977 1.00 0.00 H new ATOM 0 HA ILE A 48 3.723 7.211 5.446 1.00 0.00 H new ATOM 0 HB ILE A 48 2.147 9.164 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.522 6.165 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.011 7.039 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.880 8.691 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.579 9.389 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.729 7.645 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.376 6.311 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.382 8.088 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.917 7.200 1.224 1.00 0.00 H new ATOM 683 N PRO A 49 4.820 9.446 6.272 1.00 0.00 N ATOM 684 CA PRO A 49 5.893 8.491 6.023 1.00 0.00 C ATOM 685 C PRO A 49 6.027 7.510 7.191 1.00 0.00 C ATOM 686 O PRO A 49 6.033 7.921 8.349 1.00 0.00 O ATOM 687 CB PRO A 49 7.153 9.350 5.889 1.00 0.00 C ATOM 688 CG PRO A 49 6.883 10.516 6.841 1.00 0.00 C ATOM 689 CD PRO A 49 5.368 10.710 6.739 1.00 0.00 C ATOM 0 HA PRO A 49 5.710 7.887 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.049 8.798 6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.300 9.692 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.191 10.283 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.425 11.413 6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.946 10.982 7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.126 11.517 6.047 1.00 0.00 H new ATOM 697 N PHE A 50 6.159 6.216 6.894 1.00 0.00 N ATOM 698 CA PHE A 50 6.347 5.189 7.908 1.00 0.00 C ATOM 699 C PHE A 50 7.830 4.846 7.985 1.00 0.00 C ATOM 700 O PHE A 50 8.345 4.095 7.157 1.00 0.00 O ATOM 701 CB PHE A 50 5.526 3.948 7.561 1.00 0.00 C ATOM 702 CG PHE A 50 5.717 2.801 8.535 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.253 2.916 9.857 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.413 1.643 8.144 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.361 1.827 10.739 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.500 0.544 9.015 1.00 0.00 C ATOM 707 CZ PHE A 50 5.963 0.632 10.311 1.00 0.00 C ATOM 0 H PHE A 50 6.138 5.855 5.940 1.00 0.00 H new ATOM 0 HA PHE A 50 6.007 5.557 8.876 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.470 4.217 7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.796 3.612 6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.813 3.842 10.195 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.882 1.599 7.172 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.981 1.909 11.747 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.979 -0.367 8.689 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.013 -0.217 10.976 1.00 0.00 H new ATOM 717 N SER A 51 8.523 5.392 8.984 1.00 0.00 N ATOM 718 CA SER A 51 9.942 5.173 9.216 1.00 0.00 C ATOM 719 C SER A 51 10.236 3.765 9.755 1.00 0.00 C ATOM 720 O SER A 51 10.909 3.630 10.776 1.00 0.00 O ATOM 721 CB SER A 51 10.428 6.253 10.191 1.00 0.00 C ATOM 722 OG SER A 51 9.894 7.509 9.815 1.00 0.00 O ATOM 0 H SER A 51 8.097 6.015 9.670 1.00 0.00 H new ATOM 0 HA SER A 51 10.477 5.244 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.120 6.005 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.517 6.295 10.190 1.00 0.00 H new ATOM 0 HG SER A 51 10.204 8.197 10.440 1.00 0.00 H new ATOM 728 N GLY A 52 9.784 2.714 9.069 1.00 0.00 N ATOM 729 CA GLY A 52 9.989 1.334 9.479 1.00 0.00 C ATOM 730 C GLY A 52 9.843 0.395 8.286 1.00 0.00 C ATOM 731 O GLY A 52 9.444 0.817 7.203 1.00 0.00 O ATOM 0 H GLY A 52 9.258 2.805 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.980 1.222 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.267 1.066 10.250 1.00 0.00 H new ATOM 735 N GLN A 53 10.127 -0.891 8.506 1.00 0.00 N ATOM 736 CA GLN A 53 10.064 -1.925 7.484 1.00 0.00 C ATOM 737 C GLN A 53 8.596 -2.310 7.295 1.00 0.00 C ATOM 738 O GLN A 53 7.987 -2.908 8.184 1.00 0.00 O ATOM 739 CB GLN A 53 10.877 -3.143 7.955 1.00 0.00 C ATOM 740 CG GLN A 53 12.376 -2.858 8.139 1.00 0.00 C ATOM 741 CD GLN A 53 13.146 -2.690 6.830 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.648 -2.980 5.747 1.00 0.00 O ATOM 743 NE2 GLN A 53 14.394 -2.239 6.917 1.00 0.00 N ATOM 0 H GLN A 53 10.412 -1.244 9.419 1.00 0.00 H new ATOM 0 HA GLN A 53 10.478 -1.570 6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.466 -3.498 8.900 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.757 -3.950 7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.492 -1.953 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.822 -3.673 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.789 -2.004 7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.956 -2.128 6.073 1.00 0.00 H new ATOM 752 N ARG A 54 8.001 -1.940 6.161 1.00 0.00 N ATOM 753 CA ARG A 54 6.599 -2.226 5.900 1.00 0.00 C ATOM 754 C ARG A 54 6.356 -3.710 5.659 1.00 0.00 C ATOM 755 O ARG A 54 6.348 -4.172 4.518 1.00 0.00 O ATOM 756 CB ARG A 54 6.093 -1.432 4.701 1.00 0.00 C ATOM 757 CG ARG A 54 5.975 0.055 5.019 1.00 0.00 C ATOM 758 CD ARG A 54 5.292 0.753 3.846 1.00 0.00 C ATOM 759 NE ARG A 54 4.971 2.146 4.162 1.00 0.00 N ATOM 760 CZ ARG A 54 3.843 2.557 4.756 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.960 1.666 5.217 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.606 3.856 4.889 1.00 0.00 N ATOM 0 H ARG A 54 8.474 -1.440 5.409 1.00 0.00 H new ATOM 0 HA ARG A 54 6.048 -1.927 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.772 -1.572 3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.121 -1.817 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.400 0.202 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.962 0.484 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.942 0.718 2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.379 0.218 3.585 1.00 0.00 H new ATOM 0 HE ARG A 54 5.658 2.857 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.144 0.668 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.103 1.984 5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.281 4.536 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.749 4.174 5.341 1.00 0.00 H new ATOM 776 N MET A 55 6.138 -4.457 6.740 1.00 0.00 N ATOM 777 CA MET A 55 5.753 -5.856 6.648 1.00 0.00 C ATOM 778 C MET A 55 4.420 -5.951 5.895 1.00 0.00 C ATOM 779 O MET A 55 4.231 -6.848 5.077 1.00 0.00 O ATOM 780 CB MET A 55 5.674 -6.476 8.049 1.00 0.00 C ATOM 781 CG MET A 55 7.011 -6.389 8.805 1.00 0.00 C ATOM 782 SD MET A 55 8.492 -7.018 7.961 1.00 0.00 S ATOM 783 CE MET A 55 8.009 -8.738 7.693 1.00 0.00 C ATOM 0 H MET A 55 6.223 -4.109 7.695 1.00 0.00 H new ATOM 0 HA MET A 55 6.501 -6.422 6.094 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.900 -5.968 8.625 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.375 -7.521 7.965 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.187 -5.344 9.059 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.903 -6.932 9.744 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.821 -9.271 7.198 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.797 -9.210 8.652 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.117 -8.772 7.067 1.00 0.00 H new ATOM 793 N HIS A 56 3.496 -5.018 6.160 1.00 0.00 N ATOM 794 CA HIS A 56 2.234 -4.955 5.437 1.00 0.00 C ATOM 795 C HIS A 56 2.514 -4.592 3.976 1.00 0.00 C ATOM 796 O HIS A 56 3.173 -3.597 3.681 1.00 0.00 O ATOM 797 CB HIS A 56 1.245 -3.991 6.105 1.00 0.00 C ATOM 798 CG HIS A 56 0.695 -4.516 7.405 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.765 -3.780 8.587 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.074 -5.708 7.665 1.00 0.00 C ATOM 801 CE1 HIS A 56 0.167 -4.547 9.504 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.243 -5.724 9.007 1.00 0.00 N ATOM 0 H HIS A 56 3.606 -4.297 6.873 1.00 0.00 H new ATOM 0 HA HIS A 56 1.752 -5.932 5.463 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.742 -3.038 6.286 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.419 -3.795 5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.130 -6.492 6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.029 -4.251 10.534 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.698 -6.479 9.519 1.00 0.00 H new ATOM 810 N HIS A 57 1.998 -5.425 3.072 1.00 0.00 N ATOM 811 CA HIS A 57 2.224 -5.368 1.636 1.00 0.00 C ATOM 812 C HIS A 57 1.654 -4.122 0.960 1.00 0.00 C ATOM 813 O HIS A 57 2.148 -3.696 -0.080 1.00 0.00 O ATOM 814 CB HIS A 57 1.558 -6.608 1.021 1.00 0.00 C ATOM 815 CG HIS A 57 2.193 -7.168 -0.217 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.989 -6.590 -1.165 1.00 0.00 N flip ATOM 817 CD2 HIS A 57 2.060 -8.521 -0.507 1.00 0.00 C flip ATOM 818 CE1 HIS A 57 3.435 -7.594 -1.998 1.00 0.00 C flip ATOM 819 NE2 HIS A 57 2.814 -8.708 -1.587 1.00 0.00 N flip ATOM 0 H HIS A 57 1.382 -6.193 3.339 1.00 0.00 H new ATOM 0 HA HIS A 57 3.301 -5.333 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.536 -7.393 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.522 -6.359 0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.475 -9.256 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.138 -7.502 -2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.910 -9.609 -2.055 1.00 0.00 H new ATOM 827 N THR A 58 0.590 -3.554 1.520 1.00 0.00 N ATOM 828 CA THR A 58 -0.158 -2.487 0.885 1.00 0.00 C ATOM 829 C THR A 58 0.241 -1.118 1.428 1.00 0.00 C ATOM 830 O THR A 58 0.584 -0.984 2.602 1.00 0.00 O ATOM 831 CB THR A 58 -1.640 -2.773 1.151 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.860 -2.855 2.548 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.055 -4.118 0.537 1.00 0.00 C ATOM 0 H THR A 58 0.225 -3.827 2.433 1.00 0.00 H new ATOM 0 HA THR A 58 0.051 -2.459 -0.184 1.00 0.00 H new ATOM 0 HB THR A 58 -2.224 -1.967 0.706 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.617 -2.283 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.111 -4.300 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.890 -4.092 -0.540 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.459 -4.918 0.976 1.00 0.00 H new ATOM 841 N CYS A 59 0.149 -0.096 0.575 1.00 0.00 N ATOM 842 CA CYS A 59 0.481 1.274 0.933 1.00 0.00 C ATOM 843 C CYS A 59 -0.790 2.046 1.253 1.00 0.00 C ATOM 844 O CYS A 59 -1.854 1.693 0.743 1.00 0.00 O ATOM 845 CB CYS A 59 1.151 1.989 -0.245 1.00 0.00 C ATOM 846 SG CYS A 59 2.843 1.497 -0.582 1.00 0.00 S ATOM 0 H CYS A 59 -0.161 -0.203 -0.391 1.00 0.00 H new ATOM 0 HA CYS A 59 1.150 1.240 1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.555 1.815 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.134 3.062 -0.054 1.00 0.00 H new ATOM 851 N PRO A 60 -0.695 3.107 2.073 1.00 0.00 N ATOM 852 CA PRO A 60 -1.810 3.998 2.323 1.00 0.00 C ATOM 853 C PRO A 60 -2.370 4.490 0.991 1.00 0.00 C ATOM 854 O PRO A 60 -1.628 4.715 0.033 1.00 0.00 O ATOM 855 CB PRO A 60 -1.257 5.138 3.178 1.00 0.00 C ATOM 856 CG PRO A 60 -0.148 4.420 3.940 1.00 0.00 C ATOM 857 CD PRO A 60 0.449 3.511 2.869 1.00 0.00 C ATOM 0 HA PRO A 60 -2.633 3.510 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.876 5.960 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.011 5.557 3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.589 5.118 4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.537 3.852 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.189 4.037 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.952 2.651 3.311 1.00 0.00 H new ATOM 865 N CYS A 61 -3.688 4.614 0.929 1.00 0.00 N ATOM 866 CA CYS A 61 -4.394 4.967 -0.285 1.00 0.00 C ATOM 867 C CYS A 61 -4.350 6.457 -0.553 1.00 0.00 C ATOM 868 O CYS A 61 -4.174 7.255 0.367 1.00 0.00 O ATOM 869 CB CYS A 61 -5.800 4.404 -0.207 1.00 0.00 C ATOM 870 SG CYS A 61 -5.750 2.606 -0.116 1.00 0.00 S ATOM 0 H CYS A 61 -4.300 4.470 1.732 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.898 4.521 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.311 4.805 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.372 4.715 -1.081 1.00 0.00 H new ATOM 875 N ALA A 62 -4.476 6.824 -1.832 1.00 0.00 N ATOM 876 CA ALA A 62 -4.528 8.218 -2.227 1.00 0.00 C ATOM 877 C ALA A 62 -5.631 8.879 -1.390 1.00 0.00 C ATOM 878 O ALA A 62 -6.698 8.279 -1.265 1.00 0.00 O ATOM 879 CB ALA A 62 -4.813 8.324 -3.728 1.00 0.00 C ATOM 0 H ALA A 62 -4.543 6.165 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.578 8.722 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.851 9.374 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.022 7.822 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.770 7.851 -3.951 1.00 0.00 H new ATOM 885 N PRO A 63 -5.396 10.066 -0.806 1.00 0.00 N ATOM 886 CA PRO A 63 -6.339 10.773 0.060 1.00 0.00 C ATOM 887 C PRO A 63 -7.824 10.668 -0.321 1.00 0.00 C ATOM 888 O PRO A 63 -8.680 10.561 0.550 1.00 0.00 O ATOM 889 CB PRO A 63 -5.841 12.217 0.071 1.00 0.00 C ATOM 890 CG PRO A 63 -4.323 12.032 0.006 1.00 0.00 C ATOM 891 CD PRO A 63 -4.153 10.820 -0.914 1.00 0.00 C ATOM 0 HA PRO A 63 -6.344 10.307 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.219 12.785 -0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.149 12.748 0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.827 12.915 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.898 11.850 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.972 11.132 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.300 10.214 -0.610 1.00 0.00 H new ATOM 899 N ASN A 64 -8.135 10.712 -1.618 1.00 0.00 N ATOM 900 CA ASN A 64 -9.492 10.625 -2.150 1.00 0.00 C ATOM 901 C ASN A 64 -10.222 9.326 -1.783 1.00 0.00 C ATOM 902 O ASN A 64 -11.451 9.304 -1.747 1.00 0.00 O ATOM 903 CB ASN A 64 -9.443 10.677 -3.686 1.00 0.00 C ATOM 904 CG ASN A 64 -8.628 11.841 -4.237 1.00 0.00 C ATOM 905 OD1 ASN A 64 -7.425 11.921 -4.001 1.00 0.00 O ATOM 906 ND2 ASN A 64 -9.257 12.735 -4.992 1.00 0.00 N ATOM 0 H ASN A 64 -7.428 10.812 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.032 11.463 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.023 9.743 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.461 10.744 -4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.740 13.516 -5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.257 12.640 -5.169 1.00 0.00 H new ATOM 913 N LEU A 65 -9.482 8.230 -1.606 1.00 0.00 N ATOM 914 CA LEU A 65 -10.035 6.892 -1.441 1.00 0.00 C ATOM 915 C LEU A 65 -10.303 6.514 0.014 1.00 0.00 C ATOM 916 O LEU A 65 -9.819 7.156 0.944 1.00 0.00 O ATOM 917 CB LEU A 65 -9.068 5.866 -2.050 1.00 0.00 C ATOM 918 CG LEU A 65 -8.497 6.250 -3.424 1.00 0.00 C ATOM 919 CD1 LEU A 65 -7.615 5.126 -3.961 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.588 6.505 -4.455 1.00 0.00 C ATOM 0 H LEU A 65 -8.463 8.252 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.997 6.889 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.239 5.714 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.585 4.911 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.926 7.166 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.216 5.410 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.791 4.948 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.207 4.216 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.132 6.773 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.188 5.604 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.226 7.321 -4.116 1.00 0.00 H new ATOM 932 N ALA A 66 -11.048 5.419 0.190 1.00 0.00 N ATOM 933 CA ALA A 66 -11.382 4.801 1.459 1.00 0.00 C ATOM 934 C ALA A 66 -11.126 3.299 1.317 1.00 0.00 C ATOM 935 O ALA A 66 -11.506 2.696 0.313 1.00 0.00 O ATOM 936 CB ALA A 66 -12.847 5.082 1.799 1.00 0.00 C ATOM 0 H ALA A 66 -11.453 4.918 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.774 5.205 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.095 4.616 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.004 6.158 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.487 4.672 1.018 1.00 0.00 H new ATOM 942 N CYS A 67 -10.440 2.706 2.299 1.00 0.00 N ATOM 943 CA CYS A 67 -10.127 1.282 2.318 1.00 0.00 C ATOM 944 C CYS A 67 -11.356 0.522 2.807 1.00 0.00 C ATOM 945 O CYS A 67 -11.672 0.590 3.993 1.00 0.00 O ATOM 946 CB CYS A 67 -8.910 1.033 3.217 1.00 0.00 C ATOM 947 SG CYS A 67 -8.441 -0.706 3.327 1.00 0.00 S ATOM 0 H CYS A 67 -10.084 3.211 3.111 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.874 0.929 1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.064 1.606 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.125 1.407 4.218 1.00 0.00 H new ATOM 952 N VAL A 68 -12.055 -0.178 1.907 1.00 0.00 N ATOM 953 CA VAL A 68 -13.318 -0.839 2.212 1.00 0.00 C ATOM 954 C VAL A 68 -13.314 -2.311 1.812 1.00 0.00 C ATOM 955 O VAL A 68 -12.543 -2.755 0.961 1.00 0.00 O ATOM 956 CB VAL A 68 -14.472 -0.056 1.561 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.331 0.039 0.035 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.865 -0.589 1.917 1.00 0.00 C ATOM 0 H VAL A 68 -11.753 -0.300 0.940 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.462 -0.836 3.292 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.388 0.944 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.171 0.601 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.399 0.547 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.323 -0.964 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.624 0.015 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.953 -1.625 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.010 -0.537 2.996 1.00 0.00 H new ATOM 968 N GLN A 69 -14.174 -3.077 2.481 1.00 0.00 N ATOM 969 CA GLN A 69 -14.374 -4.487 2.204 1.00 0.00 C ATOM 970 C GLN A 69 -15.086 -4.634 0.860 1.00 0.00 C ATOM 971 O GLN A 69 -16.135 -4.033 0.645 1.00 0.00 O ATOM 972 CB GLN A 69 -15.226 -5.115 3.315 1.00 0.00 C ATOM 973 CG GLN A 69 -14.480 -5.299 4.639 1.00 0.00 C ATOM 974 CD GLN A 69 -13.586 -6.538 4.616 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.049 -7.659 4.815 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.295 -6.338 4.388 1.00 0.00 N ATOM 0 H GLN A 69 -14.757 -2.725 3.240 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.411 -4.996 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.101 -4.488 3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.590 -6.085 2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.873 -4.416 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.199 -5.384 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.946 -5.393 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.651 -7.129 4.374 1.00 0.00 H new ATOM 985 N THR A 70 -14.528 -5.462 -0.021 1.00 0.00 N ATOM 986 CA THR A 70 -15.109 -5.783 -1.322 1.00 0.00 C ATOM 987 C THR A 70 -15.844 -7.120 -1.215 1.00 0.00 C ATOM 988 O THR A 70 -16.848 -7.357 -1.884 1.00 0.00 O ATOM 989 CB THR A 70 -14.017 -5.813 -2.398 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.942 -6.664 -2.042 1.00 0.00 O ATOM 991 CG2 THR A 70 -13.486 -4.400 -2.639 1.00 0.00 C ATOM 0 H THR A 70 -13.643 -5.937 0.153 1.00 0.00 H new ATOM 0 HA THR A 70 -15.825 -5.016 -1.617 1.00 0.00 H new ATOM 0 HB THR A 70 -14.468 -6.206 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.642 -6.450 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.711 -4.428 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.301 -3.757 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.067 -4.006 -1.713 1.00 0.00 H new ATOM 999 N SER A 71 -15.338 -8.006 -0.361 1.00 0.00 N ATOM 1000 CA SER A 71 -15.928 -9.273 0.031 1.00 0.00 C ATOM 1001 C SER A 71 -15.301 -9.567 1.400 1.00 0.00 C ATOM 1002 O SER A 71 -14.415 -8.808 1.803 1.00 0.00 O ATOM 1003 CB SER A 71 -15.629 -10.359 -1.012 1.00 0.00 C ATOM 1004 OG SER A 71 -15.712 -9.854 -2.331 1.00 0.00 O ATOM 0 H SER A 71 -14.445 -7.842 0.104 1.00 0.00 H new ATOM 0 HA SER A 71 -17.016 -9.245 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.632 -10.765 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.333 -11.182 -0.892 1.00 0.00 H new ATOM 0 HG SER A 71 -15.515 -10.571 -2.969 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.726 -10.611 2.129 1.00 0.00 N ATOM 1011 CA PRO A 72 -15.147 -10.943 3.421 1.00 0.00 C ATOM 1012 C PRO A 72 -13.617 -10.920 3.364 1.00 0.00 C ATOM 1013 O PRO A 72 -13.030 -11.512 2.459 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.704 -12.325 3.771 1.00 0.00 C ATOM 1015 CG PRO A 72 -17.077 -12.300 3.097 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.795 -11.539 1.801 1.00 0.00 C ATOM 0 HA PRO A 72 -15.408 -10.216 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.075 -13.127 3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.782 -12.472 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.453 -13.305 2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.822 -11.794 3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.496 -12.218 1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.683 -11.010 1.454 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.999 -10.173 4.284 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.573 -9.913 4.450 1.00 0.00 C ATOM 1026 C LYS A 73 -10.959 -9.095 3.304 1.00 0.00 C ATOM 1027 O LYS A 73 -10.198 -8.173 3.592 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.749 -11.154 4.851 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.625 -12.294 3.832 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.511 -13.261 4.255 1.00 0.00 C ATOM 1031 CE LYS A 73 -9.319 -14.392 3.237 1.00 0.00 C ATOM 1032 NZ LYS A 73 -10.525 -15.229 3.102 1.00 0.00 N ATOM 0 H LYS A 73 -13.542 -9.690 4.999 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.510 -9.260 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.743 -10.820 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.185 -11.565 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.572 -12.829 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.408 -11.887 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.576 -12.711 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.750 -13.686 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.064 -13.966 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.478 -15.015 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.309 -16.056 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.834 -15.547 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.284 -14.674 2.658 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.299 -9.368 2.041 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.776 -8.658 0.878 1.00 0.00 C ATOM 1048 C LYS A 74 -11.001 -7.141 0.969 1.00 0.00 C ATOM 1049 O LYS A 74 -12.059 -6.640 0.584 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.409 -9.202 -0.409 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.064 -10.675 -0.661 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.673 -11.170 -1.982 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.172 -10.442 -3.236 1.00 0.00 C ATOM 1054 NZ LYS A 74 -9.701 -10.428 -3.325 1.00 0.00 N ATOM 0 H LYS A 74 -11.960 -10.105 1.797 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.700 -8.830 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.492 -9.091 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.072 -8.604 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.981 -10.798 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.434 -11.284 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.460 -12.234 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.757 -11.066 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.583 -10.925 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.543 -9.417 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.412 -10.001 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.311 -9.871 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.341 -11.402 -3.272 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.969 -6.405 1.386 1.00 0.00 N ATOM 1069 CA PHE A 75 -9.994 -4.958 1.543 1.00 0.00 C ATOM 1070 C PHE A 75 -9.365 -4.303 0.315 1.00 0.00 C ATOM 1071 O PHE A 75 -8.214 -4.597 -0.009 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.167 -4.560 2.783 1.00 0.00 C ATOM 1073 CG PHE A 75 -9.944 -4.281 4.048 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.820 -3.181 4.087 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -9.734 -5.050 5.208 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.543 -2.893 5.255 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.469 -4.770 6.374 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.371 -3.692 6.399 1.00 0.00 C ATOM 0 H PHE A 75 -9.068 -6.816 1.630 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.027 -4.629 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.454 -5.359 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.587 -3.671 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.937 -2.555 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.011 -5.852 5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.230 -2.060 5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.340 -5.385 7.253 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.932 -3.478 7.297 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.097 -3.407 -0.357 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.591 -2.651 -1.498 1.00 0.00 C ATOM 1090 C LYS A 76 -10.002 -1.188 -1.362 1.00 0.00 C ATOM 1091 O LYS A 76 -10.956 -0.866 -0.650 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.055 -3.244 -2.834 1.00 0.00 C ATOM 1093 CG LYS A 76 -9.822 -4.759 -2.894 1.00 0.00 C ATOM 1094 CD LYS A 76 -9.882 -5.263 -4.339 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.658 -6.778 -4.399 1.00 0.00 C ATOM 1096 NZ LYS A 76 -8.303 -7.154 -3.951 1.00 0.00 N ATOM 0 H LYS A 76 -11.064 -3.188 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.503 -2.715 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.115 -3.033 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.520 -2.761 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.851 -4.999 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.574 -5.271 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.851 -5.017 -4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.125 -4.755 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.398 -7.279 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.812 -7.127 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.126 -8.153 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.600 -6.559 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.226 -7.015 -2.923 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.260 -0.295 -2.020 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.498 1.139 -1.917 1.00 0.00 C ATOM 1112 C CYS A 77 -10.363 1.669 -3.043 1.00 0.00 C ATOM 1113 O CYS A 77 -9.930 1.707 -4.193 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.182 1.902 -1.805 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.740 2.110 -0.072 1.00 0.00 S ATOM 0 H CYS A 77 -8.485 -0.546 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.062 1.305 -0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.393 1.362 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.274 2.876 -2.285 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.584 2.085 -2.708 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.541 2.661 -3.620 1.00 0.00 C ATOM 1122 C LEU A 78 -12.741 4.123 -3.218 1.00 0.00 C ATOM 1123 O LEU A 78 -12.167 4.595 -2.239 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.849 1.872 -3.483 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.959 0.563 -4.285 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -13.861 0.800 -5.796 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -12.948 -0.504 -3.847 1.00 0.00 C ATOM 0 H LEU A 78 -11.936 2.022 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.204 2.617 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.995 1.637 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.671 2.523 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.953 0.176 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -13.944 -0.152 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.668 1.460 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.901 1.261 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.080 -1.401 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.936 -0.122 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.109 -0.748 -2.797 1.00 0.00 H new ATOM 1139 N SER A 79 -13.568 4.846 -3.971 1.00 0.00 N ATOM 1140 CA SER A 79 -13.880 6.249 -3.715 1.00 0.00 C ATOM 1141 C SER A 79 -15.045 6.391 -2.727 1.00 0.00 C ATOM 1142 O SER A 79 -15.746 7.401 -2.750 1.00 0.00 O ATOM 1143 CB SER A 79 -14.209 6.934 -5.046 1.00 0.00 C ATOM 1144 OG SER A 79 -13.239 6.594 -6.022 1.00 0.00 O ATOM 0 H SER A 79 -14.047 4.467 -4.788 1.00 0.00 H new ATOM 0 HA SER A 79 -13.014 6.729 -3.260 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.199 6.630 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.236 8.015 -4.910 1.00 0.00 H new ATOM 0 HG SER A 79 -13.459 7.035 -6.869 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.269 5.372 -1.898 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.303 5.233 -0.895 1.00 0.00 C ATOM 1152 C LYS A 80 -15.898 3.968 -0.132 1.00 0.00 C ATOM 1153 O LYS A 80 -16.390 3.781 1.001 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.678 5.091 -1.570 1.00 0.00 C ATOM 1155 CG LYS A 80 -18.809 4.932 -0.547 1.00 0.00 C ATOM 1156 CD LYS A 80 -20.173 4.927 -1.250 1.00 0.00 C ATOM 1157 CE LYS A 80 -21.311 4.624 -0.268 1.00 0.00 C ATOM 1158 NZ LYS A 80 -21.406 5.637 0.798 1.00 0.00 N ATOM 1159 OXT LYS A 80 -15.069 3.224 -0.708 1.00 0.00 O ATOM 0 H LYS A 80 -14.668 4.548 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.392 6.093 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.870 5.968 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.667 4.228 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.676 4.004 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -18.769 5.746 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.345 5.895 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -20.170 4.183 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -22.255 4.579 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -21.153 3.642 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -22.248 5.451 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.556 5.593 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.481 6.583 0.372 1.00 0.00 H new