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 71 SER OG : rot -126:sc= 0.395 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -179:sc= 0.61 (180deg=0) USER MOD Set 2.1: A 45 SER OG : rot 74:sc= 1.89 USER MOD Set 2.2: A 58 THR OG1 : rot 73:sc= 1.4 USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= -0.02 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 12 GLN : amide:sc= 1.63 K(o=1.6,f=-9.6!) USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= 1.13 (180deg=0.634) USER MOD Single : A 17 THR OG1 : rot -47:sc= 1.17 USER MOD Single : A 22 SER OG : rot -170:sc= -0.0669 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0.721 (180deg=0.697) USER MOD Single : A 27 SER OG : rot 180:sc= 0.107 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.828 USER MOD Single : A 42 HIS : no HD1:sc= 0.133 K(o=0.13,f=-7.9!) USER MOD Single : A 46 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-2.4) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc=-0.000551 (180deg=-0.0829) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00949 USER MOD Single : A 53 GLN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 55 MET CE :methyl 173:sc= 0 (180deg=-0.0714) USER MOD Single : A 56 HIS : no HD1:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : A 57 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.4!) USER MOD Single : A 64 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.46 F(o=-3.1!,f=-1.5) USER MOD Single : A 70 THR OG1 : rot -29:sc= 1.2 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0348) USER MOD Single : A 76 LYS NZ :NH3+ -178:sc= 0.607 (180deg=0.606) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.614 0.858 -6.989 1.00 0.00 N ATOM 62 CA GLY A 5 13.183 1.779 -6.025 1.00 0.00 C ATOM 63 C GLY A 5 13.336 1.055 -4.697 1.00 0.00 C ATOM 64 O GLY A 5 12.564 1.301 -3.775 1.00 0.00 O ATOM 0 HA2 GLY A 5 14.151 2.141 -6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.539 2.651 -5.909 1.00 0.00 H new ATOM 68 N ALA A 6 14.288 0.121 -4.641 1.00 0.00 N ATOM 69 CA ALA A 6 14.590 -0.697 -3.469 1.00 0.00 C ATOM 70 C ALA A 6 14.702 0.143 -2.192 1.00 0.00 C ATOM 71 O ALA A 6 15.668 0.885 -2.030 1.00 0.00 O ATOM 72 CB ALA A 6 15.868 -1.500 -3.713 1.00 0.00 C ATOM 0 H ALA A 6 14.888 -0.092 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 6 13.759 -1.386 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 6 16.089 -2.108 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.731 -2.148 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.697 -0.817 -3.899 1.00 0.00 H new ATOM 78 N CYS A 7 13.698 0.065 -1.313 1.00 0.00 N ATOM 79 CA CYS A 7 13.664 0.814 -0.059 1.00 0.00 C ATOM 80 C CYS A 7 13.055 -0.002 1.071 1.00 0.00 C ATOM 81 O CYS A 7 12.247 -0.903 0.848 1.00 0.00 O ATOM 82 CB CYS A 7 12.998 2.174 -0.245 1.00 0.00 C ATOM 83 SG CYS A 7 11.249 2.174 -0.671 1.00 0.00 S ATOM 0 H CYS A 7 12.879 -0.526 -1.456 1.00 0.00 H new ATOM 0 HA CYS A 7 14.693 1.013 0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 7 13.122 2.741 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.537 2.712 -1.025 1.00 0.00 H new ATOM 88 N GLU A 8 13.464 0.333 2.296 1.00 0.00 N ATOM 89 CA GLU A 8 13.070 -0.330 3.522 1.00 0.00 C ATOM 90 C GLU A 8 11.965 0.454 4.236 1.00 0.00 C ATOM 91 O GLU A 8 10.992 -0.153 4.684 1.00 0.00 O ATOM 92 CB GLU A 8 14.301 -0.483 4.421 1.00 0.00 C ATOM 93 CG GLU A 8 15.342 -1.457 3.856 1.00 0.00 C ATOM 94 CD GLU A 8 16.568 -1.559 4.764 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.687 -0.704 5.672 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.371 -2.486 4.525 1.00 0.00 O ATOM 0 H GLU A 8 14.106 1.108 2.458 1.00 0.00 H new ATOM 0 HA GLU A 8 12.669 -1.316 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.765 0.494 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.984 -0.830 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.893 -2.443 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.650 -1.127 2.864 1.00 0.00 H new ATOM 103 N ARG A 9 12.117 1.779 4.355 1.00 0.00 N ATOM 104 CA ARG A 9 11.148 2.645 5.034 1.00 0.00 C ATOM 105 C ARG A 9 10.797 3.839 4.148 1.00 0.00 C ATOM 106 O ARG A 9 11.687 4.410 3.517 1.00 0.00 O ATOM 107 CB ARG A 9 11.674 3.187 6.373 1.00 0.00 C ATOM 108 CG ARG A 9 12.188 2.138 7.372 1.00 0.00 C ATOM 109 CD ARG A 9 13.683 1.834 7.219 1.00 0.00 C ATOM 110 NE ARG A 9 14.510 3.040 7.353 1.00 0.00 N ATOM 111 CZ ARG A 9 15.776 3.153 6.924 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.436 2.099 6.429 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.384 4.341 6.997 1.00 0.00 N ATOM 0 H ARG A 9 12.921 2.282 3.980 1.00 0.00 H new ATOM 0 HA ARG A 9 10.271 2.028 5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.482 3.888 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.875 3.754 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.998 2.489 8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.622 1.216 7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.983 1.104 7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.862 1.379 6.245 1.00 0.00 H new ATOM 0 HE ARG A 9 14.091 3.852 7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.977 1.190 6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.398 2.205 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.886 5.147 7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.346 4.442 6.675 1.00 0.00 H new ATOM 127 N ASP A 10 9.516 4.235 4.159 1.00 0.00 N ATOM 128 CA ASP A 10 8.926 5.332 3.386 1.00 0.00 C ATOM 129 C ASP A 10 9.861 6.537 3.283 1.00 0.00 C ATOM 130 O ASP A 10 10.016 7.128 2.219 1.00 0.00 O ATOM 131 CB ASP A 10 7.627 5.803 4.052 1.00 0.00 C ATOM 132 CG ASP A 10 6.481 4.806 4.056 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.586 3.706 3.468 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.470 5.155 4.703 1.00 0.00 O ATOM 0 H ASP A 10 8.824 3.768 4.745 1.00 0.00 H new ATOM 0 HA ASP A 10 8.739 4.943 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.849 6.075 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.292 6.710 3.548 1.00 0.00 H new ATOM 139 N LEU A 11 10.461 6.898 4.420 1.00 0.00 N ATOM 140 CA LEU A 11 11.405 7.994 4.603 1.00 0.00 C ATOM 141 C LEU A 11 12.394 8.099 3.439 1.00 0.00 C ATOM 142 O LEU A 11 12.718 9.197 2.994 1.00 0.00 O ATOM 143 CB LEU A 11 12.181 7.785 5.915 1.00 0.00 C ATOM 144 CG LEU A 11 11.396 8.149 7.188 1.00 0.00 C ATOM 145 CD1 LEU A 11 10.134 7.303 7.386 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.308 7.962 8.406 1.00 0.00 C ATOM 0 H LEU A 11 10.286 6.398 5.291 1.00 0.00 H new ATOM 0 HA LEU A 11 10.835 8.922 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.487 6.741 5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.092 8.383 5.882 1.00 0.00 H new ATOM 0 HG LEU A 11 11.076 9.185 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.629 7.612 8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.465 7.444 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.409 6.251 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.760 8.218 9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.635 6.924 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.178 8.612 8.312 1.00 0.00 H new ATOM 158 N GLN A 12 12.878 6.952 2.961 1.00 0.00 N ATOM 159 CA GLN A 12 13.887 6.855 1.925 1.00 0.00 C ATOM 160 C GLN A 12 13.380 7.162 0.510 1.00 0.00 C ATOM 161 O GLN A 12 14.198 7.169 -0.407 1.00 0.00 O ATOM 162 CB GLN A 12 14.461 5.433 1.955 1.00 0.00 C ATOM 163 CG GLN A 12 14.946 5.003 3.345 1.00 0.00 C ATOM 164 CD GLN A 12 15.443 3.566 3.301 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.643 2.635 3.297 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.755 3.361 3.235 1.00 0.00 N ATOM 0 H GLN A 12 12.564 6.042 3.299 1.00 0.00 H new ATOM 0 HA GLN A 12 14.638 7.615 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.699 4.734 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.292 5.369 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.746 5.663 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.134 5.094 4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.396 4.154 3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.120 2.410 3.179 1.00 0.00 H new ATOM 175 N CYS A 13 12.075 7.376 0.292 1.00 0.00 N ATOM 176 CA CYS A 13 11.537 7.583 -1.052 1.00 0.00 C ATOM 177 C CYS A 13 10.460 8.666 -1.088 1.00 0.00 C ATOM 178 O CYS A 13 10.001 9.132 -0.049 1.00 0.00 O ATOM 179 CB CYS A 13 11.008 6.249 -1.589 1.00 0.00 C ATOM 180 SG CYS A 13 11.018 6.141 -3.390 1.00 0.00 S ATOM 0 H CYS A 13 11.375 7.410 1.033 1.00 0.00 H new ATOM 0 HA CYS A 13 12.342 7.941 -1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 13 11.611 5.438 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.990 6.100 -1.230 1.00 0.00 H new ATOM 185 N GLY A 14 10.071 9.096 -2.294 1.00 0.00 N ATOM 186 CA GLY A 14 9.040 10.100 -2.490 1.00 0.00 C ATOM 187 C GLY A 14 7.734 9.663 -1.826 1.00 0.00 C ATOM 188 O GLY A 14 7.231 8.572 -2.095 1.00 0.00 O ATOM 0 H GLY A 14 10.472 8.748 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.367 11.052 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.877 10.259 -3.556 1.00 0.00 H new ATOM 192 N LYS A 15 7.151 10.543 -1.009 1.00 0.00 N ATOM 193 CA LYS A 15 5.946 10.270 -0.231 1.00 0.00 C ATOM 194 C LYS A 15 4.687 10.043 -1.079 1.00 0.00 C ATOM 195 O LYS A 15 3.631 9.721 -0.541 1.00 0.00 O ATOM 196 CB LYS A 15 5.782 11.355 0.845 1.00 0.00 C ATOM 197 CG LYS A 15 7.044 11.529 1.714 1.00 0.00 C ATOM 198 CD LYS A 15 7.504 10.212 2.360 1.00 0.00 C ATOM 199 CE LYS A 15 8.748 10.387 3.234 1.00 0.00 C ATOM 200 NZ LYS A 15 9.958 10.610 2.421 1.00 0.00 N ATOM 0 H LYS A 15 7.514 11.486 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 15 6.077 9.309 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.543 12.304 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.937 11.101 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.851 11.929 1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.844 12.262 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.693 9.806 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.714 9.482 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.603 11.230 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.884 9.501 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.792 10.263 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.870 10.098 1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.067 11.627 2.232 1.00 0.00 H new ATOM 214 N GLY A 16 4.788 10.180 -2.407 1.00 0.00 N ATOM 215 CA GLY A 16 3.730 9.764 -3.319 1.00 0.00 C ATOM 216 C GLY A 16 3.704 8.229 -3.414 1.00 0.00 C ATOM 217 O GLY A 16 2.829 7.647 -4.053 1.00 0.00 O ATOM 0 H GLY A 16 5.603 10.581 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.767 10.133 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.896 10.197 -4.306 1.00 0.00 H new ATOM 221 N THR A 17 4.685 7.557 -2.804 1.00 0.00 N ATOM 222 CA THR A 17 4.787 6.117 -2.741 1.00 0.00 C ATOM 223 C THR A 17 5.067 5.751 -1.276 1.00 0.00 C ATOM 224 O THR A 17 5.280 6.644 -0.455 1.00 0.00 O ATOM 225 CB THR A 17 5.950 5.672 -3.656 1.00 0.00 C ATOM 226 OG1 THR A 17 7.202 5.968 -3.071 1.00 0.00 O ATOM 227 CG2 THR A 17 5.935 6.335 -5.039 1.00 0.00 C ATOM 0 H THR A 17 5.453 8.029 -2.326 1.00 0.00 H new ATOM 0 HA THR A 17 3.876 5.621 -3.076 1.00 0.00 H new ATOM 0 HB THR A 17 5.807 4.598 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.196 6.888 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.780 5.974 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.006 6.086 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.008 7.417 -4.925 1.00 0.00 H new ATOM 235 N CYS A 18 5.077 4.459 -0.948 1.00 0.00 N ATOM 236 CA CYS A 18 5.423 3.944 0.369 1.00 0.00 C ATOM 237 C CYS A 18 6.348 2.741 0.159 1.00 0.00 C ATOM 238 O CYS A 18 6.297 2.103 -0.895 1.00 0.00 O ATOM 239 CB CYS A 18 4.162 3.598 1.168 1.00 0.00 C ATOM 240 SG CYS A 18 3.722 1.847 1.203 1.00 0.00 S ATOM 0 H CYS A 18 4.837 3.724 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 18 5.945 4.694 0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.297 3.942 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.324 4.157 0.752 1.00 0.00 H new ATOM 245 N CYS A 19 7.215 2.435 1.124 1.00 0.00 N ATOM 246 CA CYS A 19 8.190 1.358 0.967 1.00 0.00 C ATOM 247 C CYS A 19 7.571 0.042 1.398 1.00 0.00 C ATOM 248 O CYS A 19 7.569 -0.269 2.589 1.00 0.00 O ATOM 249 CB CYS A 19 9.467 1.674 1.742 1.00 0.00 C ATOM 250 SG CYS A 19 10.377 3.039 0.993 1.00 0.00 S ATOM 0 H CYS A 19 7.261 2.918 2.021 1.00 0.00 H new ATOM 0 HA CYS A 19 8.469 1.269 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.215 1.926 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.101 0.788 1.776 1.00 0.00 H new ATOM 255 N ALA A 20 7.042 -0.721 0.439 1.00 0.00 N ATOM 256 CA ALA A 20 6.364 -1.988 0.687 1.00 0.00 C ATOM 257 C ALA A 20 7.031 -3.127 -0.078 1.00 0.00 C ATOM 258 O ALA A 20 7.927 -2.909 -0.894 1.00 0.00 O ATOM 259 CB ALA A 20 4.884 -1.863 0.319 1.00 0.00 C ATOM 0 H ALA A 20 7.075 -0.468 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 20 6.440 -2.225 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.381 -2.812 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.423 -1.083 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.792 -1.605 -0.736 1.00 0.00 H new ATOM 265 N VAL A 21 6.594 -4.354 0.208 1.00 0.00 N ATOM 266 CA VAL A 21 7.113 -5.559 -0.416 1.00 0.00 C ATOM 267 C VAL A 21 6.864 -5.500 -1.931 1.00 0.00 C ATOM 268 O VAL A 21 5.825 -5.015 -2.371 1.00 0.00 O ATOM 269 CB VAL A 21 6.471 -6.795 0.247 1.00 0.00 C ATOM 270 CG1 VAL A 21 7.101 -8.084 -0.283 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.626 -6.771 1.777 1.00 0.00 C ATOM 0 H VAL A 21 5.858 -4.535 0.891 1.00 0.00 H new ATOM 0 HA VAL A 21 8.190 -5.636 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 21 5.410 -6.765 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.633 -8.943 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.951 -8.146 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.169 -8.083 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.160 -7.659 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.685 -6.757 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.143 -5.880 2.178 1.00 0.00 H new ATOM 281 N SER A 22 7.803 -5.975 -2.753 1.00 0.00 N ATOM 282 CA SER A 22 7.622 -5.999 -4.191 1.00 0.00 C ATOM 283 C SER A 22 6.509 -6.995 -4.521 1.00 0.00 C ATOM 284 O SER A 22 6.367 -8.018 -3.855 1.00 0.00 O ATOM 285 CB SER A 22 8.954 -6.344 -4.851 1.00 0.00 C ATOM 286 OG SER A 22 9.914 -5.389 -4.468 1.00 0.00 O ATOM 0 H SER A 22 8.698 -6.348 -2.437 1.00 0.00 H new ATOM 0 HA SER A 22 7.317 -5.027 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.275 -7.342 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.845 -6.355 -5.936 1.00 0.00 H new ATOM 0 HG SER A 22 10.725 -5.507 -5.005 1.00 0.00 H new ATOM 292 N LEU A 23 5.674 -6.692 -5.515 1.00 0.00 N ATOM 293 CA LEU A 23 4.503 -7.510 -5.811 1.00 0.00 C ATOM 294 C LEU A 23 4.873 -8.909 -6.306 1.00 0.00 C ATOM 295 O LEU A 23 4.128 -9.853 -6.053 1.00 0.00 O ATOM 296 CB LEU A 23 3.551 -6.784 -6.776 1.00 0.00 C ATOM 297 CG LEU A 23 2.816 -5.561 -6.186 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.866 -5.940 -5.042 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.743 -4.446 -5.693 1.00 0.00 C ATOM 0 H LEU A 23 5.789 -5.885 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 23 3.969 -7.658 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.121 -6.459 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.807 -7.497 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 23 2.246 -5.177 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.376 -5.043 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.113 -6.637 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.433 -6.409 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.146 -3.626 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.395 -4.834 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.349 -4.083 -6.523 1.00 0.00 H new ATOM 311 N TRP A 24 6.027 -9.058 -6.969 1.00 0.00 N ATOM 312 CA TRP A 24 6.422 -10.320 -7.585 1.00 0.00 C ATOM 313 C TRP A 24 7.400 -11.073 -6.675 1.00 0.00 C ATOM 314 O TRP A 24 7.015 -12.090 -6.100 1.00 0.00 O ATOM 315 CB TRP A 24 6.894 -10.067 -9.034 1.00 0.00 C ATOM 316 CG TRP A 24 6.187 -8.924 -9.710 1.00 0.00 C ATOM 317 CD1 TRP A 24 6.789 -7.849 -10.268 1.00 0.00 C ATOM 318 CD2 TRP A 24 4.755 -8.635 -9.745 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.843 -6.901 -10.601 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.574 -7.321 -10.264 1.00 0.00 C ATOM 321 CE3 TRP A 24 3.594 -9.314 -9.314 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.318 -6.700 -10.309 1.00 0.00 C ATOM 323 CZ3 TRP A 24 2.323 -8.719 -9.399 1.00 0.00 C ATOM 324 CH2 TRP A 24 2.192 -7.395 -9.847 1.00 0.00 C ATOM 0 H TRP A 24 6.707 -8.307 -7.090 1.00 0.00 H new ATOM 0 HA TRP A 24 5.574 -10.998 -7.683 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.965 -9.867 -9.028 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.742 -10.974 -9.620 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.852 -7.748 -10.429 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.055 -6.005 -11.040 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.684 -10.312 -8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.219 -5.696 -10.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.445 -9.282 -9.119 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.226 -6.913 -9.836 1.00 0.00 H new ATOM 335 N ILE A 25 8.636 -10.591 -6.491 1.00 0.00 N ATOM 336 CA ILE A 25 9.582 -11.223 -5.597 1.00 0.00 C ATOM 337 C ILE A 25 9.475 -10.599 -4.218 1.00 0.00 C ATOM 338 O ILE A 25 10.022 -9.531 -3.954 1.00 0.00 O ATOM 339 CB ILE A 25 11.025 -11.222 -6.127 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.763 -9.891 -6.373 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.109 -12.138 -7.344 1.00 0.00 C ATOM 342 CD1 ILE A 25 11.050 -8.841 -7.229 1.00 0.00 C ATOM 0 H ILE A 25 8.995 -9.759 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 25 9.316 -12.278 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 25 11.591 -11.589 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.983 -9.443 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.719 -10.118 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.130 -12.143 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.824 -13.150 -7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.433 -11.776 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.681 -7.957 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.854 -9.251 -8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.107 -8.566 -6.757 1.00 0.00 H new ATOM 354 N LYS A 26 8.808 -11.319 -3.318 1.00 0.00 N ATOM 355 CA LYS A 26 8.664 -10.962 -1.925 1.00 0.00 C ATOM 356 C LYS A 26 10.046 -10.715 -1.299 1.00 0.00 C ATOM 357 O LYS A 26 10.161 -10.028 -0.289 1.00 0.00 O ATOM 358 CB LYS A 26 7.911 -12.104 -1.234 1.00 0.00 C ATOM 359 CG LYS A 26 6.391 -12.102 -1.486 1.00 0.00 C ATOM 360 CD LYS A 26 5.996 -12.190 -2.968 1.00 0.00 C ATOM 361 CE LYS A 26 4.500 -12.469 -3.138 1.00 0.00 C ATOM 362 NZ LYS A 26 4.104 -12.362 -4.554 1.00 0.00 N ATOM 0 H LYS A 26 8.341 -12.194 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 26 8.100 -10.037 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.323 -13.054 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.090 -12.045 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.945 -12.941 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.965 -11.193 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.252 -11.256 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.571 -12.979 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.267 -13.466 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.924 -11.763 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.116 -12.670 -4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.195 -11.374 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.721 -12.967 -5.134 1.00 0.00 H new ATOM 376 N SER A 27 11.098 -11.267 -1.917 1.00 0.00 N ATOM 377 CA SER A 27 12.481 -11.097 -1.522 1.00 0.00 C ATOM 378 C SER A 27 12.917 -9.627 -1.468 1.00 0.00 C ATOM 379 O SER A 27 13.828 -9.298 -0.712 1.00 0.00 O ATOM 380 CB SER A 27 13.323 -11.840 -2.565 1.00 0.00 C ATOM 381 OG SER A 27 12.688 -13.062 -2.901 1.00 0.00 O ATOM 0 H SER A 27 10.993 -11.865 -2.736 1.00 0.00 H new ATOM 0 HA SER A 27 12.614 -11.488 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.444 -11.224 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.321 -12.033 -2.172 1.00 0.00 H new ATOM 0 HG SER A 27 13.225 -13.537 -3.569 1.00 0.00 H new ATOM 387 N VAL A 28 12.320 -8.761 -2.296 1.00 0.00 N ATOM 388 CA VAL A 28 12.702 -7.357 -2.423 1.00 0.00 C ATOM 389 C VAL A 28 11.549 -6.454 -1.976 1.00 0.00 C ATOM 390 O VAL A 28 10.383 -6.821 -2.110 1.00 0.00 O ATOM 391 CB VAL A 28 13.094 -7.105 -3.893 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.440 -5.641 -4.170 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.306 -7.960 -4.294 1.00 0.00 C ATOM 0 H VAL A 28 11.545 -9.025 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 28 13.552 -7.124 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 28 12.218 -7.378 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.708 -5.523 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.578 -5.014 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.281 -5.341 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.562 -7.763 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.155 -7.709 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.062 -9.016 -4.174 1.00 0.00 H new ATOM 403 N ARG A 29 11.854 -5.248 -1.483 1.00 0.00 N ATOM 404 CA ARG A 29 10.875 -4.246 -1.070 1.00 0.00 C ATOM 405 C ARG A 29 11.201 -2.938 -1.793 1.00 0.00 C ATOM 406 O ARG A 29 12.376 -2.581 -1.866 1.00 0.00 O ATOM 407 CB ARG A 29 10.919 -4.045 0.445 1.00 0.00 C ATOM 408 CG ARG A 29 10.909 -5.349 1.255 1.00 0.00 C ATOM 409 CD ARG A 29 10.894 -5.070 2.763 1.00 0.00 C ATOM 410 NE ARG A 29 9.638 -4.442 3.200 1.00 0.00 N ATOM 411 CZ ARG A 29 9.385 -3.130 3.267 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.287 -2.213 2.908 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.191 -2.727 3.686 1.00 0.00 N ATOM 0 H ARG A 29 12.817 -4.937 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 29 9.869 -4.577 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.816 -3.480 0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.064 -3.438 0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.035 -5.941 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.787 -5.943 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.039 -6.005 3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.731 -4.420 3.019 1.00 0.00 H new ATOM 0 HE ARG A 29 8.884 -5.070 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.204 -2.505 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.059 -1.221 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.485 -3.414 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.980 -1.731 3.744 1.00 0.00 H new ATOM 427 N VAL A 30 10.199 -2.237 -2.338 1.00 0.00 N ATOM 428 CA VAL A 30 10.412 -1.055 -3.169 1.00 0.00 C ATOM 429 C VAL A 30 9.407 0.072 -2.918 1.00 0.00 C ATOM 430 O VAL A 30 8.365 -0.113 -2.279 1.00 0.00 O ATOM 431 CB VAL A 30 10.331 -1.439 -4.663 1.00 0.00 C ATOM 432 CG1 VAL A 30 11.415 -2.425 -5.098 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.956 -2.017 -5.027 1.00 0.00 C ATOM 0 H VAL A 30 9.216 -2.478 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 30 11.400 -0.683 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 30 10.493 -0.505 -5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.298 -2.650 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.397 -1.985 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.324 -3.344 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.938 -2.275 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.768 -2.911 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.184 -1.276 -4.821 1.00 0.00 H new ATOM 443 N CYS A 31 9.735 1.236 -3.496 1.00 0.00 N ATOM 444 CA CYS A 31 8.896 2.425 -3.564 1.00 0.00 C ATOM 445 C CYS A 31 7.631 2.042 -4.332 1.00 0.00 C ATOM 446 O CYS A 31 7.587 2.118 -5.558 1.00 0.00 O ATOM 447 CB CYS A 31 9.608 3.562 -4.317 1.00 0.00 C ATOM 448 SG CYS A 31 11.223 4.104 -3.722 1.00 0.00 S ATOM 0 H CYS A 31 10.639 1.373 -3.949 1.00 0.00 H new ATOM 0 HA CYS A 31 8.671 2.774 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.724 3.251 -5.355 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.946 4.428 -4.315 1.00 0.00 H new ATOM 453 N THR A 32 6.590 1.637 -3.615 1.00 0.00 N ATOM 454 CA THR A 32 5.345 1.169 -4.194 1.00 0.00 C ATOM 455 C THR A 32 4.358 2.340 -4.156 1.00 0.00 C ATOM 456 O THR A 32 4.180 2.928 -3.093 1.00 0.00 O ATOM 457 CB THR A 32 4.875 -0.033 -3.365 1.00 0.00 C ATOM 458 OG1 THR A 32 5.898 -1.011 -3.347 1.00 0.00 O ATOM 459 CG2 THR A 32 3.605 -0.667 -3.936 1.00 0.00 C ATOM 0 H THR A 32 6.592 1.626 -2.595 1.00 0.00 H new ATOM 0 HA THR A 32 5.444 0.843 -5.229 1.00 0.00 H new ATOM 0 HB THR A 32 4.653 0.326 -2.360 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.665 -0.673 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.311 -1.514 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.803 0.071 -3.947 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.795 -1.011 -4.953 1.00 0.00 H new ATOM 467 N PRO A 33 3.775 2.762 -5.289 1.00 0.00 N ATOM 468 CA PRO A 33 2.836 3.875 -5.322 1.00 0.00 C ATOM 469 C PRO A 33 1.697 3.748 -4.310 1.00 0.00 C ATOM 470 O PRO A 33 1.292 2.636 -3.970 1.00 0.00 O ATOM 471 CB PRO A 33 2.289 3.901 -6.751 1.00 0.00 C ATOM 472 CG PRO A 33 3.446 3.336 -7.572 1.00 0.00 C ATOM 473 CD PRO A 33 4.046 2.285 -6.636 1.00 0.00 C ATOM 0 HA PRO A 33 3.345 4.798 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.389 3.293 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.027 4.912 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.101 2.895 -8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.171 4.107 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.595 1.307 -6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.117 2.175 -6.805 1.00 0.00 H new ATOM 481 N VAL A 34 1.182 4.886 -3.828 1.00 0.00 N ATOM 482 CA VAL A 34 -0.012 4.878 -2.982 1.00 0.00 C ATOM 483 C VAL A 34 -1.150 4.151 -3.715 1.00 0.00 C ATOM 484 O VAL A 34 -1.186 4.122 -4.947 1.00 0.00 O ATOM 485 CB VAL A 34 -0.453 6.306 -2.610 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.411 6.915 -1.503 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.477 7.238 -3.826 1.00 0.00 C ATOM 0 H VAL A 34 1.570 5.812 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 34 0.228 4.355 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.470 6.210 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.058 7.922 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.342 6.298 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.449 6.960 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.794 8.234 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.521 7.294 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.175 6.850 -4.568 1.00 0.00 H new ATOM 497 N GLY A 35 -2.085 3.562 -2.966 1.00 0.00 N ATOM 498 CA GLY A 35 -3.205 2.850 -3.560 1.00 0.00 C ATOM 499 C GLY A 35 -4.027 3.764 -4.466 1.00 0.00 C ATOM 500 O GLY A 35 -4.063 4.975 -4.270 1.00 0.00 O ATOM 0 H GLY A 35 -2.083 3.567 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.835 2.001 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.842 2.448 -2.772 1.00 0.00 H new ATOM 504 N THR A 36 -4.688 3.196 -5.469 1.00 0.00 N ATOM 505 CA THR A 36 -5.512 3.942 -6.410 1.00 0.00 C ATOM 506 C THR A 36 -6.770 3.131 -6.718 1.00 0.00 C ATOM 507 O THR A 36 -6.882 1.987 -6.284 1.00 0.00 O ATOM 508 CB THR A 36 -4.691 4.308 -7.656 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.459 5.147 -8.495 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.229 3.077 -8.444 1.00 0.00 C ATOM 0 H THR A 36 -4.666 2.193 -5.653 1.00 0.00 H new ATOM 0 HA THR A 36 -5.838 4.889 -5.979 1.00 0.00 H new ATOM 0 HB THR A 36 -3.795 4.825 -7.313 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.936 5.383 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.654 3.396 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.606 2.450 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.099 2.508 -8.773 1.00 0.00 H new ATOM 518 N SER A 37 -7.699 3.724 -7.466 1.00 0.00 N ATOM 519 CA SER A 37 -8.998 3.188 -7.839 1.00 0.00 C ATOM 520 C SER A 37 -9.016 1.675 -8.096 1.00 0.00 C ATOM 521 O SER A 37 -8.560 1.218 -9.141 1.00 0.00 O ATOM 522 CB SER A 37 -9.463 3.955 -9.079 1.00 0.00 C ATOM 523 OG SER A 37 -9.255 5.342 -8.867 1.00 0.00 O ATOM 0 H SER A 37 -7.549 4.656 -7.852 1.00 0.00 H new ATOM 0 HA SER A 37 -9.674 3.324 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.911 3.621 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.518 3.757 -9.271 1.00 0.00 H new ATOM 0 HG SER A 37 -9.549 5.841 -9.657 1.00 0.00 H new ATOM 529 N GLY A 38 -9.566 0.905 -7.152 1.00 0.00 N ATOM 530 CA GLY A 38 -9.751 -0.533 -7.286 1.00 0.00 C ATOM 531 C GLY A 38 -8.547 -1.375 -6.862 1.00 0.00 C ATOM 532 O GLY A 38 -8.662 -2.597 -6.809 1.00 0.00 O ATOM 0 H GLY A 38 -9.899 1.275 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.614 -0.832 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.988 -0.760 -8.326 1.00 0.00 H new ATOM 536 N GLU A 39 -7.398 -0.766 -6.557 1.00 0.00 N ATOM 537 CA GLU A 39 -6.229 -1.509 -6.125 1.00 0.00 C ATOM 538 C GLU A 39 -6.511 -2.133 -4.755 1.00 0.00 C ATOM 539 O GLU A 39 -7.193 -1.525 -3.929 1.00 0.00 O ATOM 540 CB GLU A 39 -5.034 -0.550 -6.082 1.00 0.00 C ATOM 541 CG GLU A 39 -3.716 -1.217 -5.677 1.00 0.00 C ATOM 542 CD GLU A 39 -3.354 -2.401 -6.569 1.00 0.00 C ATOM 543 OE1 GLU A 39 -2.673 -2.157 -7.588 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.781 -3.525 -6.221 1.00 0.00 O ATOM 0 H GLU A 39 -7.260 0.244 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.996 -2.318 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.912 -0.093 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.252 0.256 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.914 -0.480 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.788 -1.555 -4.643 1.00 0.00 H new ATOM 551 N ASP A 40 -5.992 -3.339 -4.515 1.00 0.00 N ATOM 552 CA ASP A 40 -6.156 -4.031 -3.247 1.00 0.00 C ATOM 553 C ASP A 40 -5.398 -3.285 -2.153 1.00 0.00 C ATOM 554 O ASP A 40 -4.346 -2.699 -2.407 1.00 0.00 O ATOM 555 CB ASP A 40 -5.671 -5.479 -3.363 1.00 0.00 C ATOM 556 CG ASP A 40 -6.686 -6.347 -4.094 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.615 -6.832 -3.411 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.528 -6.500 -5.324 1.00 0.00 O ATOM 0 H ASP A 40 -5.445 -3.860 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.213 -4.053 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.719 -5.504 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.492 -5.885 -2.368 1.00 0.00 H new ATOM 563 N CYS A 41 -5.925 -3.316 -0.930 1.00 0.00 N ATOM 564 CA CYS A 41 -5.343 -2.630 0.212 1.00 0.00 C ATOM 565 C CYS A 41 -5.591 -3.432 1.479 1.00 0.00 C ATOM 566 O CYS A 41 -6.562 -4.179 1.574 1.00 0.00 O ATOM 567 CB CYS A 41 -5.959 -1.235 0.356 1.00 0.00 C ATOM 568 SG CYS A 41 -7.744 -1.247 0.636 1.00 0.00 S ATOM 0 H CYS A 41 -6.779 -3.826 -0.706 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.269 -2.531 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.475 -0.719 1.185 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.747 -0.660 -0.545 1.00 0.00 H new ATOM 573 N HIS A 42 -4.704 -3.267 2.457 1.00 0.00 N ATOM 574 CA HIS A 42 -4.818 -3.865 3.771 1.00 0.00 C ATOM 575 C HIS A 42 -5.381 -2.766 4.672 1.00 0.00 C ATOM 576 O HIS A 42 -4.833 -1.661 4.662 1.00 0.00 O ATOM 577 CB HIS A 42 -3.426 -4.301 4.244 1.00 0.00 C ATOM 578 CG HIS A 42 -3.447 -5.110 5.510 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.091 -4.669 6.667 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.918 -6.349 5.742 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.938 -5.669 7.541 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.241 -6.698 7.036 1.00 0.00 N ATOM 0 H HIS A 42 -3.865 -2.697 2.347 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.460 -4.746 3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.951 -4.886 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.810 -3.415 4.399 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.352 -6.944 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.333 -5.650 8.546 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.998 -7.566 7.514 1.00 0.00 H new ATOM 590 N PRO A 43 -6.451 -3.011 5.442 1.00 0.00 N ATOM 591 CA PRO A 43 -7.037 -1.986 6.292 1.00 0.00 C ATOM 592 C PRO A 43 -6.032 -1.377 7.276 1.00 0.00 C ATOM 593 O PRO A 43 -6.236 -0.249 7.716 1.00 0.00 O ATOM 594 CB PRO A 43 -8.218 -2.654 7.002 1.00 0.00 C ATOM 595 CG PRO A 43 -7.912 -4.149 6.917 1.00 0.00 C ATOM 596 CD PRO A 43 -7.146 -4.279 5.602 1.00 0.00 C ATOM 0 HA PRO A 43 -7.366 -1.135 5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.299 -2.323 8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.163 -2.413 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.315 -4.486 7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.824 -4.746 6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.444 -5.112 5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.823 -4.466 4.768 1.00 0.00 H new ATOM 604 N ALA A 44 -4.939 -2.080 7.598 1.00 0.00 N ATOM 605 CA ALA A 44 -3.914 -1.578 8.502 1.00 0.00 C ATOM 606 C ALA A 44 -2.713 -1.007 7.736 1.00 0.00 C ATOM 607 O ALA A 44 -1.618 -0.936 8.294 1.00 0.00 O ATOM 608 CB ALA A 44 -3.492 -2.692 9.463 1.00 0.00 C ATOM 0 H ALA A 44 -4.747 -3.014 7.235 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.331 -0.754 9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.725 -2.317 10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.356 -3.021 10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.094 -3.532 8.894 1.00 0.00 H new ATOM 614 N SER A 45 -2.891 -0.582 6.476 1.00 0.00 N ATOM 615 CA SER A 45 -1.848 0.091 5.720 1.00 0.00 C ATOM 616 C SER A 45 -1.548 1.434 6.394 1.00 0.00 C ATOM 617 O SER A 45 -2.098 2.457 5.993 1.00 0.00 O ATOM 618 CB SER A 45 -2.316 0.324 4.278 1.00 0.00 C ATOM 619 OG SER A 45 -2.446 -0.893 3.567 1.00 0.00 O ATOM 0 H SER A 45 -3.764 -0.699 5.962 1.00 0.00 H new ATOM 0 HA SER A 45 -0.948 -0.524 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.273 0.845 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.605 0.971 3.765 1.00 0.00 H new ATOM 0 HG SER A 45 -3.243 -1.370 3.878 1.00 0.00 H new ATOM 625 N HIS A 46 -0.685 1.426 7.414 1.00 0.00 N ATOM 626 CA HIS A 46 -0.312 2.603 8.195 1.00 0.00 C ATOM 627 C HIS A 46 0.030 3.789 7.287 1.00 0.00 C ATOM 628 O HIS A 46 0.570 3.590 6.193 1.00 0.00 O ATOM 629 CB HIS A 46 0.854 2.253 9.125 1.00 0.00 C ATOM 630 CG HIS A 46 0.972 3.152 10.326 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.211 4.520 10.215 1.00 0.00 N ATOM 632 CD2 HIS A 46 0.905 2.825 11.653 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.310 4.956 11.474 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.127 3.979 12.375 1.00 0.00 N ATOM 0 H HIS A 46 -0.215 0.576 7.726 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.164 2.907 8.803 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.738 1.224 9.465 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.784 2.298 8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.713 1.843 12.060 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.515 5.983 11.738 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.148 4.071 13.391 1.00 0.00 H new ATOM 642 N LYS A 47 -0.271 5.009 7.740 1.00 0.00 N ATOM 643 CA LYS A 47 -0.101 6.224 6.959 1.00 0.00 C ATOM 644 C LYS A 47 1.344 6.450 6.511 1.00 0.00 C ATOM 645 O LYS A 47 2.235 5.657 6.799 1.00 0.00 O ATOM 646 CB LYS A 47 -0.632 7.415 7.758 1.00 0.00 C ATOM 647 CG LYS A 47 0.284 7.765 8.938 1.00 0.00 C ATOM 648 CD LYS A 47 -0.257 9.041 9.568 1.00 0.00 C ATOM 649 CE LYS A 47 0.604 9.520 10.744 1.00 0.00 C ATOM 650 NZ LYS A 47 1.966 9.893 10.318 1.00 0.00 N ATOM 0 H LYS A 47 -0.645 5.176 8.674 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.677 6.115 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.725 8.280 7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.631 7.187 8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.300 6.954 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.310 7.909 8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.304 9.825 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.276 8.869 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.125 10.377 11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.662 8.732 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.469 10.336 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.480 9.041 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.910 10.565 9.526 1.00 0.00 H new ATOM 664 N ILE A 48 1.579 7.562 5.818 1.00 0.00 N ATOM 665 CA ILE A 48 2.883 7.955 5.304 1.00 0.00 C ATOM 666 C ILE A 48 3.235 9.252 6.037 1.00 0.00 C ATOM 667 O ILE A 48 2.338 10.075 6.230 1.00 0.00 O ATOM 668 CB ILE A 48 2.779 8.148 3.775 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.451 6.805 3.097 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.068 8.724 3.171 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.155 6.944 1.601 1.00 0.00 C ATOM 0 H ILE A 48 0.844 8.232 5.594 1.00 0.00 H new ATOM 0 HA ILE A 48 3.661 7.210 5.472 1.00 0.00 H new ATOM 0 HB ILE A 48 1.979 8.866 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.289 6.122 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.590 6.356 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.945 8.841 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.278 9.695 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.898 8.045 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.931 5.963 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.298 7.603 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.024 7.365 1.096 1.00 0.00 H new ATOM 683 N PRO A 49 4.491 9.471 6.456 1.00 0.00 N ATOM 684 CA PRO A 49 5.624 8.560 6.361 1.00 0.00 C ATOM 685 C PRO A 49 5.596 7.529 7.496 1.00 0.00 C ATOM 686 O PRO A 49 5.405 7.897 8.653 1.00 0.00 O ATOM 687 CB PRO A 49 6.846 9.474 6.493 1.00 0.00 C ATOM 688 CG PRO A 49 6.366 10.598 7.411 1.00 0.00 C ATOM 689 CD PRO A 49 4.894 10.745 7.029 1.00 0.00 C ATOM 0 HA PRO A 49 5.622 7.988 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.697 8.944 6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.164 9.858 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.487 10.340 8.463 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.921 11.521 7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.288 10.987 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.758 11.554 6.312 1.00 0.00 H new ATOM 697 N PHE A 50 5.809 6.246 7.183 1.00 0.00 N ATOM 698 CA PHE A 50 5.861 5.189 8.185 1.00 0.00 C ATOM 699 C PHE A 50 7.320 4.869 8.507 1.00 0.00 C ATOM 700 O PHE A 50 8.030 4.263 7.703 1.00 0.00 O ATOM 701 CB PHE A 50 5.136 3.939 7.684 1.00 0.00 C ATOM 702 CG PHE A 50 5.100 2.805 8.689 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.361 2.950 9.877 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.835 1.628 8.464 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.331 1.910 10.822 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.786 0.578 9.397 1.00 0.00 C ATOM 707 CZ PHE A 50 5.036 0.719 10.577 1.00 0.00 C ATOM 0 H PHE A 50 5.949 5.917 6.228 1.00 0.00 H new ATOM 0 HA PHE A 50 5.360 5.529 9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.114 4.207 7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.623 3.589 6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.815 3.863 10.064 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.438 1.530 7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.767 2.026 11.736 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.325 -0.338 9.207 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.001 -0.087 11.295 1.00 0.00 H new ATOM 717 N SER A 51 7.768 5.276 9.696 1.00 0.00 N ATOM 718 CA SER A 51 9.116 5.064 10.197 1.00 0.00 C ATOM 719 C SER A 51 9.373 3.599 10.573 1.00 0.00 C ATOM 720 O SER A 51 9.739 3.315 11.711 1.00 0.00 O ATOM 721 CB SER A 51 9.311 5.986 11.409 1.00 0.00 C ATOM 722 OG SER A 51 8.761 7.263 11.141 1.00 0.00 O ATOM 0 H SER A 51 7.176 5.780 10.356 1.00 0.00 H new ATOM 0 HA SER A 51 9.835 5.301 9.413 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.832 5.552 12.287 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.373 6.079 11.638 1.00 0.00 H new ATOM 0 HG SER A 51 8.888 7.844 11.920 1.00 0.00 H new ATOM 728 N GLY A 52 9.208 2.665 9.635 1.00 0.00 N ATOM 729 CA GLY A 52 9.429 1.257 9.910 1.00 0.00 C ATOM 730 C GLY A 52 9.251 0.415 8.653 1.00 0.00 C ATOM 731 O GLY A 52 8.909 0.928 7.590 1.00 0.00 O ATOM 0 H GLY A 52 8.921 2.866 8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.434 1.115 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.733 0.920 10.678 1.00 0.00 H new ATOM 735 N GLN A 53 9.501 -0.888 8.786 1.00 0.00 N ATOM 736 CA GLN A 53 9.357 -1.853 7.710 1.00 0.00 C ATOM 737 C GLN A 53 7.878 -2.208 7.578 1.00 0.00 C ATOM 738 O GLN A 53 7.273 -2.714 8.522 1.00 0.00 O ATOM 739 CB GLN A 53 10.176 -3.106 8.046 1.00 0.00 C ATOM 740 CG GLN A 53 11.690 -2.862 7.969 1.00 0.00 C ATOM 741 CD GLN A 53 12.267 -3.318 6.633 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.995 -4.302 6.571 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.948 -2.633 5.542 1.00 0.00 N ATOM 0 H GLN A 53 9.815 -1.304 9.663 1.00 0.00 H new ATOM 0 HA GLN A 53 9.719 -1.438 6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.917 -3.446 9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.906 -3.907 7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.895 -1.801 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.186 -3.394 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.341 -1.816 5.612 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.310 -2.923 4.634 1.00 0.00 H new ATOM 752 N ARG A 54 7.279 -1.929 6.421 1.00 0.00 N ATOM 753 CA ARG A 54 5.887 -2.271 6.189 1.00 0.00 C ATOM 754 C ARG A 54 5.796 -3.770 5.938 1.00 0.00 C ATOM 755 O ARG A 54 6.061 -4.227 4.827 1.00 0.00 O ATOM 756 CB ARG A 54 5.300 -1.493 5.007 1.00 0.00 C ATOM 757 CG ARG A 54 5.280 0.008 5.284 1.00 0.00 C ATOM 758 CD ARG A 54 4.724 0.726 4.057 1.00 0.00 C ATOM 759 NE ARG A 54 4.477 2.145 4.331 1.00 0.00 N ATOM 760 CZ ARG A 54 3.340 2.623 4.856 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.374 1.789 5.248 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.165 3.930 5.003 1.00 0.00 N ATOM 0 H ARG A 54 7.739 -1.469 5.636 1.00 0.00 H new ATOM 0 HA ARG A 54 5.303 -1.998 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.888 -1.691 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.287 -1.841 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.665 0.223 6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.286 0.364 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.427 0.631 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.796 0.248 3.744 1.00 0.00 H new ATOM 0 HE ARG A 54 5.217 2.811 4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.499 0.782 5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.511 2.159 5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.898 4.578 4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.297 4.287 5.403 1.00 0.00 H new ATOM 776 N MET A 55 5.451 -4.529 6.979 1.00 0.00 N ATOM 777 CA MET A 55 5.232 -5.963 6.862 1.00 0.00 C ATOM 778 C MET A 55 4.108 -6.232 5.853 1.00 0.00 C ATOM 779 O MET A 55 4.153 -7.206 5.105 1.00 0.00 O ATOM 780 CB MET A 55 4.944 -6.568 8.246 1.00 0.00 C ATOM 781 CG MET A 55 3.664 -6.040 8.914 1.00 0.00 C ATOM 782 SD MET A 55 3.289 -6.730 10.547 1.00 0.00 S ATOM 783 CE MET A 55 4.607 -5.987 11.535 1.00 0.00 C ATOM 0 H MET A 55 5.317 -4.164 7.922 1.00 0.00 H new ATOM 0 HA MET A 55 6.131 -6.450 6.485 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.868 -7.651 8.147 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.791 -6.366 8.901 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.745 -4.957 9.007 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.821 -6.241 8.253 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.444 -6.213 12.589 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.569 -6.392 11.222 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.604 -4.906 11.391 1.00 0.00 H new ATOM 793 N HIS A 56 3.089 -5.365 5.841 1.00 0.00 N ATOM 794 CA HIS A 56 1.973 -5.478 4.919 1.00 0.00 C ATOM 795 C HIS A 56 2.417 -5.084 3.515 1.00 0.00 C ATOM 796 O HIS A 56 3.205 -4.160 3.325 1.00 0.00 O ATOM 797 CB HIS A 56 0.784 -4.636 5.394 1.00 0.00 C ATOM 798 CG HIS A 56 0.261 -5.057 6.743 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.168 -4.119 7.677 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.149 -6.309 7.290 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.512 -4.835 8.749 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.330 -6.153 8.574 1.00 0.00 N ATOM 0 H HIS A 56 3.023 -4.568 6.474 1.00 0.00 H new ATOM 0 HA HIS A 56 1.640 -6.516 4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.083 -3.589 5.438 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.020 -4.708 4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.391 -7.244 6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.896 -4.400 9.660 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.510 -6.891 9.254 1.00 0.00 H new ATOM 810 N HIS A 57 1.882 -5.801 2.530 1.00 0.00 N ATOM 811 CA HIS A 57 2.240 -5.652 1.132 1.00 0.00 C ATOM 812 C HIS A 57 1.748 -4.343 0.521 1.00 0.00 C ATOM 813 O HIS A 57 2.346 -3.838 -0.425 1.00 0.00 O ATOM 814 CB HIS A 57 1.643 -6.837 0.358 1.00 0.00 C ATOM 815 CG HIS A 57 2.456 -7.270 -0.828 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.413 -8.593 -1.262 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.335 -6.577 -1.618 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.323 -8.651 -2.234 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.975 -7.500 -2.405 1.00 0.00 N ATOM 0 H HIS A 57 1.172 -6.516 2.691 1.00 0.00 H new ATOM 0 HA HIS A 57 3.328 -5.633 1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.534 -7.682 1.038 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.642 -6.568 0.020 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.820 -9.346 -0.915 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.494 -5.509 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.513 -9.537 -2.822 1.00 0.00 H new ATOM 827 N THR A 58 0.647 -3.797 1.031 1.00 0.00 N ATOM 828 CA THR A 58 -0.007 -2.671 0.396 1.00 0.00 C ATOM 829 C THR A 58 0.344 -1.337 1.044 1.00 0.00 C ATOM 830 O THR A 58 0.663 -1.264 2.230 1.00 0.00 O ATOM 831 CB THR A 58 -1.519 -2.927 0.404 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.040 -2.912 1.724 1.00 0.00 O ATOM 833 CG2 THR A 58 -1.816 -4.308 -0.208 1.00 0.00 C ATOM 0 H THR A 58 0.193 -4.122 1.885 1.00 0.00 H new ATOM 0 HA THR A 58 0.352 -2.590 -0.630 1.00 0.00 H new ATOM 0 HB THR A 58 -1.989 -2.134 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.057 -1.991 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.891 -4.486 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.451 -4.337 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.316 -5.080 0.377 1.00 0.00 H new ATOM 841 N CYS A 59 0.247 -0.276 0.245 1.00 0.00 N ATOM 842 CA CYS A 59 0.431 1.096 0.680 1.00 0.00 C ATOM 843 C CYS A 59 -0.960 1.678 0.886 1.00 0.00 C ATOM 844 O CYS A 59 -1.919 1.181 0.293 1.00 0.00 O ATOM 845 CB CYS A 59 1.147 1.904 -0.405 1.00 0.00 C ATOM 846 SG CYS A 59 2.883 1.501 -0.655 1.00 0.00 S ATOM 0 H CYS A 59 0.032 -0.355 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 59 1.029 1.133 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.619 1.760 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.070 2.962 -0.155 1.00 0.00 H new ATOM 851 N PRO A 60 -1.101 2.714 1.722 1.00 0.00 N ATOM 852 CA PRO A 60 -2.392 3.332 1.921 1.00 0.00 C ATOM 853 C PRO A 60 -2.840 3.967 0.607 1.00 0.00 C ATOM 854 O PRO A 60 -2.022 4.306 -0.250 1.00 0.00 O ATOM 855 CB PRO A 60 -2.222 4.347 3.049 1.00 0.00 C ATOM 856 CG PRO A 60 -0.718 4.608 3.110 1.00 0.00 C ATOM 857 CD PRO A 60 -0.056 3.390 2.467 1.00 0.00 C ATOM 0 HA PRO A 60 -3.167 2.620 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.775 5.264 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.595 3.954 3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.458 5.522 2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.385 4.735 4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.760 3.691 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.371 2.733 3.224 1.00 0.00 H new ATOM 865 N CYS A 61 -4.154 4.080 0.434 1.00 0.00 N ATOM 866 CA CYS A 61 -4.745 4.640 -0.767 1.00 0.00 C ATOM 867 C CYS A 61 -4.350 6.109 -0.907 1.00 0.00 C ATOM 868 O CYS A 61 -4.036 6.775 0.079 1.00 0.00 O ATOM 869 CB CYS A 61 -6.272 4.531 -0.688 1.00 0.00 C ATOM 870 SG CYS A 61 -6.939 2.896 -0.308 1.00 0.00 S ATOM 0 H CYS A 61 -4.838 3.783 1.130 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.382 4.086 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.626 5.230 0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.688 4.857 -1.641 1.00 0.00 H new ATOM 875 N ALA A 62 -4.379 6.618 -2.139 1.00 0.00 N ATOM 876 CA ALA A 62 -4.091 8.007 -2.434 1.00 0.00 C ATOM 877 C ALA A 62 -5.037 8.877 -1.598 1.00 0.00 C ATOM 878 O ALA A 62 -6.207 8.508 -1.454 1.00 0.00 O ATOM 879 CB ALA A 62 -4.273 8.251 -3.934 1.00 0.00 C ATOM 0 H ALA A 62 -4.607 6.064 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.062 8.262 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.058 9.295 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.591 7.610 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.300 8.022 -4.218 1.00 0.00 H new ATOM 885 N PRO A 63 -4.553 10.010 -1.057 1.00 0.00 N ATOM 886 CA PRO A 63 -5.296 10.897 -0.166 1.00 0.00 C ATOM 887 C PRO A 63 -6.491 11.540 -0.877 1.00 0.00 C ATOM 888 O PRO A 63 -6.469 12.702 -1.273 1.00 0.00 O ATOM 889 CB PRO A 63 -4.274 11.917 0.339 1.00 0.00 C ATOM 890 CG PRO A 63 -3.302 11.998 -0.833 1.00 0.00 C ATOM 891 CD PRO A 63 -3.232 10.554 -1.323 1.00 0.00 C ATOM 0 HA PRO A 63 -5.742 10.359 0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.733 12.882 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.783 11.585 1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.663 12.671 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.324 12.366 -0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.991 10.507 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.460 9.994 -0.796 1.00 0.00 H new ATOM 899 N ASN A 64 -7.536 10.732 -1.015 1.00 0.00 N ATOM 900 CA ASN A 64 -8.815 10.993 -1.661 1.00 0.00 C ATOM 901 C ASN A 64 -9.663 9.721 -1.569 1.00 0.00 C ATOM 902 O ASN A 64 -10.822 9.774 -1.168 1.00 0.00 O ATOM 903 CB ASN A 64 -8.617 11.412 -3.124 1.00 0.00 C ATOM 904 CG ASN A 64 -9.949 11.469 -3.865 1.00 0.00 C ATOM 905 OD1 ASN A 64 -10.678 12.449 -3.770 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.283 10.424 -4.618 1.00 0.00 N ATOM 0 H ASN A 64 -7.504 9.784 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.322 11.817 -1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.134 12.388 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.951 10.706 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.164 10.427 -5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.658 9.620 -4.680 1.00 0.00 H new ATOM 913 N LEU A 65 -9.090 8.574 -1.951 1.00 0.00 N ATOM 914 CA LEU A 65 -9.734 7.286 -1.871 1.00 0.00 C ATOM 915 C LEU A 65 -9.547 6.715 -0.461 1.00 0.00 C ATOM 916 O LEU A 65 -8.706 7.199 0.297 1.00 0.00 O ATOM 917 CB LEU A 65 -9.097 6.372 -2.922 1.00 0.00 C ATOM 918 CG LEU A 65 -9.318 6.841 -4.370 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.084 7.568 -4.915 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.597 5.634 -5.268 1.00 0.00 C ATOM 0 H LEU A 65 -8.144 8.529 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.803 7.369 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.026 6.306 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.503 5.367 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.166 7.526 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.273 7.887 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.873 8.441 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.227 6.895 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.753 5.971 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.747 4.952 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.490 5.117 -4.916 1.00 0.00 H new ATOM 932 N ALA A 66 -10.312 5.677 -0.116 1.00 0.00 N ATOM 933 CA ALA A 66 -10.265 5.009 1.177 1.00 0.00 C ATOM 934 C ALA A 66 -10.245 3.494 0.976 1.00 0.00 C ATOM 935 O ALA A 66 -10.742 2.982 -0.028 1.00 0.00 O ATOM 936 CB ALA A 66 -11.466 5.435 2.025 1.00 0.00 C ATOM 0 H ALA A 66 -10.999 5.270 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.355 5.297 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.426 4.932 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.440 6.514 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.388 5.162 1.512 1.00 0.00 H new ATOM 942 N CYS A 67 -9.643 2.777 1.930 1.00 0.00 N ATOM 943 CA CYS A 67 -9.525 1.325 1.897 1.00 0.00 C ATOM 944 C CYS A 67 -10.815 0.705 2.438 1.00 0.00 C ATOM 945 O CYS A 67 -10.989 0.637 3.654 1.00 0.00 O ATOM 946 CB CYS A 67 -8.307 0.887 2.726 1.00 0.00 C ATOM 947 SG CYS A 67 -8.007 -0.890 2.666 1.00 0.00 S ATOM 0 H CYS A 67 -9.220 3.200 2.756 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.378 0.982 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.422 1.411 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.454 1.189 3.763 1.00 0.00 H new ATOM 952 N VAL A 68 -11.726 0.275 1.558 1.00 0.00 N ATOM 953 CA VAL A 68 -13.024 -0.284 1.937 1.00 0.00 C ATOM 954 C VAL A 68 -13.021 -1.793 1.706 1.00 0.00 C ATOM 955 O VAL A 68 -12.345 -2.287 0.809 1.00 0.00 O ATOM 956 CB VAL A 68 -14.150 0.387 1.133 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.543 -0.018 1.637 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.046 1.917 1.186 1.00 0.00 C ATOM 0 H VAL A 68 -11.578 0.307 0.549 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.202 -0.091 2.995 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.026 0.043 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.306 0.481 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.662 -1.098 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.652 0.275 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.858 2.357 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.116 2.251 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.090 2.231 0.768 1.00 0.00 H new ATOM 968 N GLN A 69 -13.784 -2.533 2.508 1.00 0.00 N ATOM 969 CA GLN A 69 -13.873 -3.982 2.436 1.00 0.00 C ATOM 970 C GLN A 69 -14.708 -4.398 1.221 1.00 0.00 C ATOM 971 O GLN A 69 -15.784 -3.845 1.006 1.00 0.00 O ATOM 972 CB GLN A 69 -14.346 -4.492 3.810 1.00 0.00 C ATOM 973 CG GLN A 69 -15.858 -4.642 3.967 1.00 0.00 C ATOM 974 CD GLN A 69 -16.429 -5.847 3.220 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.588 -6.812 2.850 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.619 -5.897 2.934 1.00 0.00 N flip ATOM 0 H GLN A 69 -14.368 -2.129 3.240 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.911 -4.461 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.880 -5.459 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.984 -3.808 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.099 -4.733 5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.345 -3.736 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.246 -5.148 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.983 -6.688 2.403 1.00 0.00 H new ATOM 985 N THR A 70 -14.207 -5.350 0.424 1.00 0.00 N ATOM 986 CA THR A 70 -14.932 -5.915 -0.714 1.00 0.00 C ATOM 987 C THR A 70 -15.265 -7.383 -0.426 1.00 0.00 C ATOM 988 O THR A 70 -16.290 -7.900 -0.866 1.00 0.00 O ATOM 989 CB THR A 70 -14.166 -5.693 -2.025 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.920 -6.358 -2.041 1.00 0.00 O ATOM 991 CG2 THR A 70 -13.936 -4.196 -2.255 1.00 0.00 C ATOM 0 H THR A 70 -13.278 -5.751 0.555 1.00 0.00 H new ATOM 0 HA THR A 70 -15.880 -5.394 -0.850 1.00 0.00 H new ATOM 0 HB THR A 70 -14.780 -6.110 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.575 -6.428 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.392 -4.051 -3.188 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.897 -3.685 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.355 -3.786 -1.429 1.00 0.00 H new ATOM 999 N SER A 71 -14.410 -8.071 0.334 1.00 0.00 N ATOM 1000 CA SER A 71 -14.632 -9.417 0.849 1.00 0.00 C ATOM 1001 C SER A 71 -13.775 -9.515 2.119 1.00 0.00 C ATOM 1002 O SER A 71 -12.979 -8.606 2.367 1.00 0.00 O ATOM 1003 CB SER A 71 -14.303 -10.487 -0.207 1.00 0.00 C ATOM 1004 OG SER A 71 -14.662 -10.066 -1.510 1.00 0.00 O ATOM 0 H SER A 71 -13.508 -7.687 0.617 1.00 0.00 H new ATOM 0 HA SER A 71 -15.679 -9.603 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.237 -10.711 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.829 -11.410 0.035 1.00 0.00 H new ATOM 0 HG SER A 71 -15.243 -10.739 -1.923 1.00 0.00 H new ATOM 1010 N PRO A 72 -13.956 -10.542 2.963 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.139 -10.748 4.149 1.00 0.00 C ATOM 1012 C PRO A 72 -11.653 -10.619 3.800 1.00 0.00 C ATOM 1013 O PRO A 72 -11.195 -11.279 2.868 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.500 -12.152 4.640 1.00 0.00 C ATOM 1015 CG PRO A 72 -14.961 -12.293 4.211 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.011 -11.535 2.882 1.00 0.00 C ATOM 0 HA PRO A 72 -13.324 -10.005 4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.869 -12.915 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.384 -12.246 5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.246 -13.338 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.640 -11.861 4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.852 -12.208 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.983 -11.064 2.735 1.00 0.00 H new ATOM 1024 N LYS A 73 -10.924 -9.733 4.491 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.510 -9.410 4.270 1.00 0.00 C ATOM 1026 C LYS A 73 -9.296 -8.599 2.981 1.00 0.00 C ATOM 1027 O LYS A 73 -8.549 -7.622 2.978 1.00 0.00 O ATOM 1028 CB LYS A 73 -8.608 -10.654 4.315 1.00 0.00 C ATOM 1029 CG LYS A 73 -8.797 -11.461 5.607 1.00 0.00 C ATOM 1030 CD LYS A 73 -7.798 -12.625 5.646 1.00 0.00 C ATOM 1031 CE LYS A 73 -7.894 -13.420 6.954 1.00 0.00 C ATOM 1032 NZ LYS A 73 -9.207 -14.070 7.112 1.00 0.00 N ATOM 0 H LYS A 73 -11.326 -9.195 5.259 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.209 -8.775 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.825 -11.290 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.565 -10.348 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.651 -10.816 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.816 -11.843 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.983 -13.290 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.786 -12.238 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.110 -14.177 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.716 -12.753 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.189 -14.690 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.941 -13.344 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.419 -14.635 6.265 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.951 -8.994 1.889 1.00 0.00 N ATOM 1047 CA LYS A 74 -9.886 -8.337 0.598 1.00 0.00 C ATOM 1048 C LYS A 74 -10.564 -6.963 0.652 1.00 0.00 C ATOM 1049 O LYS A 74 -11.762 -6.822 0.379 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.546 -9.250 -0.443 1.00 0.00 C ATOM 1051 CG LYS A 74 -10.345 -8.778 -1.891 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.479 -9.292 -2.788 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.548 -10.821 -2.862 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.804 -11.253 -3.500 1.00 0.00 N ATOM 0 H LYS A 74 -10.562 -9.811 1.887 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.847 -8.165 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.142 -10.257 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.614 -9.312 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.313 -7.689 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.386 -9.136 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.429 -8.910 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.347 -8.892 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.697 -11.202 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.479 -11.243 -1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.841 -12.292 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.613 -10.891 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.846 -10.881 -4.470 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.794 -5.937 1.008 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.233 -4.554 0.947 1.00 0.00 C ATOM 1070 C PHE A 75 -9.611 -3.946 -0.315 1.00 0.00 C ATOM 1071 O PHE A 75 -8.562 -4.401 -0.774 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.833 -3.765 2.203 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.596 -4.002 3.500 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.808 -5.301 4.001 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.993 -2.895 4.277 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.365 -5.490 5.278 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.582 -3.083 5.538 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.744 -4.381 6.052 1.00 0.00 C ATOM 0 H PHE A 75 -8.839 -6.049 1.350 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.321 -4.507 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.780 -3.970 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.912 -2.704 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.541 -6.158 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.843 -1.894 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.502 -6.489 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.911 -2.230 6.113 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.159 -4.525 7.039 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.267 -2.938 -0.895 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.801 -2.231 -2.078 1.00 0.00 C ATOM 1090 C LYS A 76 -9.947 -0.725 -1.875 1.00 0.00 C ATOM 1091 O LYS A 76 -10.755 -0.264 -1.065 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.541 -2.676 -3.351 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.457 -4.188 -3.592 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.039 -4.517 -4.973 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.130 -6.027 -5.213 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.798 -6.652 -5.290 1.00 0.00 N ATOM 0 H LYS A 76 -11.157 -2.587 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.749 -2.479 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.588 -2.382 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.122 -2.152 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.420 -4.520 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.007 -4.722 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.031 -4.075 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.418 -4.064 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.702 -6.489 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.674 -6.215 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.902 -7.668 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.249 -6.206 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.302 -6.524 -4.385 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.139 0.034 -2.611 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.123 1.485 -2.569 1.00 0.00 C ATOM 1112 C CYS A 77 -10.277 2.017 -3.407 1.00 0.00 C ATOM 1113 O CYS A 77 -10.189 2.028 -4.635 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.782 1.999 -3.094 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.401 1.760 -1.960 1.00 0.00 S ATOM 0 H CYS A 77 -8.463 -0.357 -3.267 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.243 1.834 -1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.556 1.496 -4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.875 3.062 -3.316 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.359 2.446 -2.754 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.540 2.982 -3.415 1.00 0.00 C ATOM 1122 C LEU A 78 -12.610 4.490 -3.203 1.00 0.00 C ATOM 1123 O LEU A 78 -12.069 5.024 -2.238 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.811 2.303 -2.886 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.838 0.781 -3.110 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.205 0.236 -2.682 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.595 0.411 -4.579 1.00 0.00 C ATOM 0 H LEU A 78 -11.436 2.429 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.469 2.778 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.904 2.506 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.679 2.748 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.037 0.342 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.232 -0.842 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.370 0.454 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.987 0.708 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.623 -0.673 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.370 0.860 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.619 0.783 -4.891 1.00 0.00 H new ATOM 1139 N SER A 79 -13.273 5.188 -4.125 1.00 0.00 N ATOM 1140 CA SER A 79 -13.457 6.627 -4.072 1.00 0.00 C ATOM 1141 C SER A 79 -14.674 6.957 -3.201 1.00 0.00 C ATOM 1142 O SER A 79 -15.551 7.705 -3.630 1.00 0.00 O ATOM 1143 CB SER A 79 -13.622 7.119 -5.514 1.00 0.00 C ATOM 1144 OG SER A 79 -14.583 6.313 -6.172 1.00 0.00 O ATOM 0 H SER A 79 -13.703 4.755 -4.942 1.00 0.00 H new ATOM 0 HA SER A 79 -12.601 7.129 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.938 8.162 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.668 7.071 -6.039 1.00 0.00 H new ATOM 0 HG SER A 79 -14.694 6.624 -7.095 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.739 6.366 -2.008 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.792 6.488 -1.021 1.00 0.00 C ATOM 1152 C LYS A 80 -15.252 5.744 0.201 1.00 0.00 C ATOM 1153 O LYS A 80 -15.703 6.053 1.325 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.091 5.856 -1.555 1.00 0.00 C ATOM 1155 CG LYS A 80 -18.230 5.779 -0.527 1.00 0.00 C ATOM 1156 CD LYS A 80 -18.604 7.160 0.026 1.00 0.00 C ATOM 1157 CE LYS A 80 -19.824 7.051 0.946 1.00 0.00 C ATOM 1158 NZ LYS A 80 -20.172 8.358 1.528 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.373 4.882 -0.033 1.00 0.00 O ATOM 0 H LYS A 80 -13.996 5.744 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.041 7.521 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.433 6.431 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.871 4.850 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.106 5.326 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.932 5.128 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.762 7.580 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.820 7.842 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.673 6.663 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.618 6.338 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.002 8.253 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.369 8.715 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.392 9.030 0.765 1.00 0.00 H new