USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 Single : A 5 SER OG : rot 180:sc= -0.271 USER MOD Single : A 15 TYR OH : rot -151:sc= 0.82 USER MOD Single : A 18 THR OG1 : rot 80:sc= 0.117 USER MOD Single : A 20 SER OG : rot 8:sc= 0.164 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 111:sc= -1.5 USER MOD Single : A 28 SER OG : rot -170:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -151:sc= 0 (180deg=-0.0038) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.224 X(o=-0.22,f=0.15) USER MOD Single : A 54 ASN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.671 USER MOD Single : A 60 HIS : no HD1:sc= -0.854 K(o=-0.85,f=-2.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 148:sc= -0.236 (180deg=-1.08) USER MOD Single : A 70 CYS SG : rot -164:sc= 1.1 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0982 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 0.161 -0.745 -14.266 1.00 0.00 N ATOM 42 CA VAL A 3 0.978 -0.809 -13.061 1.00 0.00 C ATOM 43 C VAL A 3 1.607 0.549 -12.745 1.00 0.00 C ATOM 44 O VAL A 3 2.078 1.251 -13.646 1.00 0.00 O ATOM 45 CB VAL A 3 2.092 -1.876 -13.189 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.046 -1.544 -14.332 1.00 0.00 C ATOM 47 CG2 VAL A 3 2.851 -2.020 -11.875 1.00 0.00 C ATOM 0 HA VAL A 3 0.315 -1.091 -12.243 1.00 0.00 H new ATOM 0 HB VAL A 3 1.618 -2.830 -13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.817 -2.311 -14.397 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.491 -1.507 -15.270 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.512 -0.576 -14.147 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.630 -2.775 -11.985 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.306 -1.065 -11.611 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.161 -2.323 -11.088 1.00 0.00 H new ATOM 57 N ARG A 4 1.607 0.909 -11.462 1.00 0.00 N ATOM 58 CA ARG A 4 2.176 2.180 -11.017 1.00 0.00 C ATOM 59 C ARG A 4 2.653 2.096 -9.563 1.00 0.00 C ATOM 60 O ARG A 4 2.317 1.154 -8.841 1.00 0.00 O ATOM 61 CB ARG A 4 1.149 3.307 -11.172 1.00 0.00 C ATOM 62 CG ARG A 4 -0.103 3.118 -10.329 1.00 0.00 C ATOM 63 CD ARG A 4 -0.940 4.387 -10.282 1.00 0.00 C ATOM 64 NE ARG A 4 -2.212 4.181 -9.587 1.00 0.00 N ATOM 65 CZ ARG A 4 -3.286 3.609 -10.144 1.00 0.00 C ATOM 66 NH1 ARG A 4 -3.243 3.170 -11.400 1.00 0.00 N ATOM 67 NH2 ARG A 4 -4.402 3.472 -9.438 1.00 0.00 N ATOM 0 H ARG A 4 1.219 0.337 -10.712 1.00 0.00 H new ATOM 0 HA ARG A 4 3.040 2.398 -11.645 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.618 4.253 -10.902 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.862 3.382 -12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.699 2.303 -10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.179 2.829 -9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.377 5.174 -9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.134 4.731 -11.298 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.284 4.493 -8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.387 3.268 -11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.066 2.735 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.439 3.802 -8.474 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.222 3.036 -9.860 1.00 0.00 H new ATOM 81 N SER A 5 3.435 3.091 -9.142 1.00 0.00 N ATOM 82 CA SER A 5 3.959 3.136 -7.777 1.00 0.00 C ATOM 83 C SER A 5 3.453 4.374 -7.039 1.00 0.00 C ATOM 84 O SER A 5 3.353 5.455 -7.620 1.00 0.00 O ATOM 85 CB SER A 5 5.489 3.129 -7.794 1.00 0.00 C ATOM 86 OG SER A 5 5.987 1.967 -8.440 1.00 0.00 O ATOM 0 H SER A 5 3.719 3.877 -9.727 1.00 0.00 H new ATOM 0 HA SER A 5 3.604 2.250 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.854 4.019 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.867 3.172 -6.773 1.00 0.00 H new ATOM 0 HG SER A 5 6.967 1.987 -8.439 1.00 0.00 H new ATOM 92 N VAL A 6 3.133 4.206 -5.753 1.00 0.00 N ATOM 93 CA VAL A 6 2.631 5.309 -4.937 1.00 0.00 C ATOM 94 C VAL A 6 3.605 5.654 -3.807 1.00 0.00 C ATOM 95 O VAL A 6 4.167 4.764 -3.166 1.00 0.00 O ATOM 96 CB VAL A 6 1.249 4.976 -4.329 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.659 6.189 -3.619 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.299 4.467 -5.407 1.00 0.00 C ATOM 0 H VAL A 6 3.213 3.318 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 6 2.532 6.170 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 6 1.385 4.187 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.313 5.928 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.328 6.502 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.540 7.005 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.669 4.238 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.173 5.233 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.712 3.566 -5.860 1.00 0.00 H new ATOM 108 N GLU A 7 3.793 6.954 -3.572 1.00 0.00 N ATOM 109 CA GLU A 7 4.697 7.431 -2.526 1.00 0.00 C ATOM 110 C GLU A 7 3.916 8.074 -1.378 1.00 0.00 C ATOM 111 O GLU A 7 3.408 9.190 -1.512 1.00 0.00 O ATOM 112 CB GLU A 7 5.695 8.435 -3.112 1.00 0.00 C ATOM 113 CG GLU A 7 6.429 7.921 -4.341 1.00 0.00 C ATOM 114 CD GLU A 7 7.673 8.726 -4.661 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.548 9.947 -4.895 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.773 8.134 -4.677 1.00 0.00 O ATOM 0 H GLU A 7 3.329 7.697 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 7 5.242 6.575 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.165 9.351 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.425 8.697 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.707 6.879 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.755 7.945 -5.198 1.00 0.00 H new ATOM 123 N VAL A 8 3.823 7.365 -0.254 1.00 0.00 N ATOM 124 CA VAL A 8 3.101 7.866 0.915 1.00 0.00 C ATOM 125 C VAL A 8 4.063 8.436 1.960 1.00 0.00 C ATOM 126 O VAL A 8 5.071 7.812 2.292 1.00 0.00 O ATOM 127 CB VAL A 8 2.241 6.760 1.567 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.272 7.358 2.577 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.486 5.963 0.510 1.00 0.00 C ATOM 0 H VAL A 8 4.238 6.442 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 8 2.445 8.661 0.561 1.00 0.00 H new ATOM 0 HB VAL A 8 2.910 6.079 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.676 6.563 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.832 7.874 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.613 8.066 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.888 5.191 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.831 6.631 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.198 5.497 -0.171 1.00 0.00 H new ATOM 139 N ALA A 9 3.738 9.623 2.474 1.00 0.00 N ATOM 140 CA ALA A 9 4.557 10.287 3.480 1.00 0.00 C ATOM 141 C ALA A 9 3.967 10.100 4.873 1.00 0.00 C ATOM 142 O ALA A 9 3.038 10.810 5.267 1.00 0.00 O ATOM 143 CB ALA A 9 4.692 11.769 3.158 1.00 0.00 C ATOM 0 H ALA A 9 2.904 10.146 2.205 1.00 0.00 H new ATOM 0 HA ALA A 9 5.548 9.832 3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.306 12.252 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.162 11.888 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.704 12.230 3.143 1.00 0.00 H new ATOM 149 N ARG A 10 4.513 9.138 5.609 1.00 0.00 N ATOM 150 CA ARG A 10 4.056 8.836 6.965 1.00 0.00 C ATOM 151 C ARG A 10 4.057 10.092 7.835 1.00 0.00 C ATOM 152 O ARG A 10 5.069 10.785 7.947 1.00 0.00 O ATOM 153 CB ARG A 10 4.941 7.757 7.601 1.00 0.00 C ATOM 154 CG ARG A 10 4.494 7.339 8.996 1.00 0.00 C ATOM 155 CD ARG A 10 4.702 5.848 9.231 1.00 0.00 C ATOM 156 NE ARG A 10 5.315 5.576 10.532 1.00 0.00 N ATOM 157 CZ ARG A 10 5.192 4.419 11.194 1.00 0.00 C ATOM 158 NH1 ARG A 10 4.461 3.428 10.692 1.00 0.00 N ATOM 159 NH2 ARG A 10 5.801 4.255 12.362 1.00 0.00 N ATOM 0 H ARG A 10 5.280 8.548 5.287 1.00 0.00 H new ATOM 0 HA ARG A 10 3.034 8.463 6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.950 6.880 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.966 8.125 7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.051 7.906 9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.441 7.585 9.130 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.743 5.334 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.334 5.442 8.441 1.00 0.00 H new ATOM 0 HE ARG A 10 5.871 6.315 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.989 3.546 9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.373 2.550 11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.363 5.010 12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.707 3.374 12.867 1.00 0.00 H new ATOM 173 N GLY A 11 2.908 10.376 8.446 1.00 0.00 N ATOM 174 CA GLY A 11 2.779 11.549 9.301 1.00 0.00 C ATOM 175 C GLY A 11 3.242 11.316 10.736 1.00 0.00 C ATOM 176 O GLY A 11 2.927 12.108 11.623 1.00 0.00 O ATOM 0 H GLY A 11 2.061 9.814 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.357 12.367 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.736 11.867 9.312 1.00 0.00 H new ATOM 180 N ARG A 12 3.981 10.220 10.967 1.00 0.00 N ATOM 181 CA ARG A 12 4.484 9.873 12.301 1.00 0.00 C ATOM 182 C ARG A 12 3.364 9.340 13.212 1.00 0.00 C ATOM 183 O ARG A 12 3.612 8.991 14.368 1.00 0.00 O ATOM 184 CB ARG A 12 5.184 11.073 12.959 1.00 0.00 C ATOM 185 CG ARG A 12 6.171 11.793 12.046 1.00 0.00 C ATOM 186 CD ARG A 12 7.393 10.934 11.741 1.00 0.00 C ATOM 187 NE ARG A 12 8.576 11.747 11.465 1.00 0.00 N ATOM 188 CZ ARG A 12 9.301 12.362 12.405 1.00 0.00 C ATOM 189 NH1 ARG A 12 8.962 12.266 13.690 1.00 0.00 N ATOM 190 NH2 ARG A 12 10.364 13.080 12.056 1.00 0.00 N ATOM 0 H ARG A 12 4.244 9.555 10.239 1.00 0.00 H new ATOM 0 HA ARG A 12 5.215 9.076 12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.428 11.784 13.292 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.712 10.729 13.849 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.674 12.061 11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.489 12.723 12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.594 10.276 12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.183 10.296 10.883 1.00 0.00 H new ATOM 0 HE ARG A 12 8.867 11.852 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.144 11.720 13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.520 12.738 14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.625 13.161 11.073 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.919 13.550 12.771 1.00 0.00 H new ATOM 204 N ALA A 13 2.138 9.265 12.682 1.00 0.00 N ATOM 205 CA ALA A 13 0.995 8.766 13.440 1.00 0.00 C ATOM 206 C ALA A 13 0.014 8.017 12.532 1.00 0.00 C ATOM 207 O ALA A 13 -1.181 7.927 12.831 1.00 0.00 O ATOM 208 CB ALA A 13 0.294 9.913 14.154 1.00 0.00 C ATOM 0 H ALA A 13 1.916 9.546 11.727 1.00 0.00 H new ATOM 0 HA ALA A 13 1.364 8.062 14.186 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.557 9.526 14.715 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.991 10.396 14.838 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.056 10.639 13.420 1.00 0.00 H new ATOM 214 N GLY A 14 0.526 7.476 11.420 1.00 0.00 N ATOM 215 CA GLY A 14 -0.314 6.742 10.486 1.00 0.00 C ATOM 216 C GLY A 14 -0.024 7.094 9.034 1.00 0.00 C ATOM 217 O GLY A 14 0.795 7.976 8.757 1.00 0.00 O ATOM 0 H GLY A 14 1.509 7.535 11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.165 5.672 10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.361 6.951 10.704 1.00 0.00 H new ATOM 221 N TYR A 15 -0.685 6.397 8.107 1.00 0.00 N ATOM 222 CA TYR A 15 -0.486 6.637 6.680 1.00 0.00 C ATOM 223 C TYR A 15 -1.745 7.192 6.018 1.00 0.00 C ATOM 224 O TYR A 15 -1.779 8.354 5.611 1.00 0.00 O ATOM 225 CB TYR A 15 -0.054 5.343 5.979 1.00 0.00 C ATOM 226 CG TYR A 15 1.417 5.027 6.123 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.371 5.723 5.392 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.853 4.028 6.984 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.714 5.432 5.510 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.197 3.733 7.113 1.00 0.00 C ATOM 231 CZ TYR A 15 4.124 4.438 6.372 1.00 0.00 C ATOM 232 OH TYR A 15 5.464 4.146 6.493 1.00 0.00 O ATOM 0 H TYR A 15 -1.361 5.664 8.321 1.00 0.00 H new ATOM 0 HA TYR A 15 0.301 7.384 6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.634 4.513 6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.297 5.418 4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.055 6.506 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.130 3.472 7.562 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.441 5.981 4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.520 2.956 7.789 1.00 0.00 H new ATOM 0 HH TYR A 15 5.573 3.202 6.733 1.00 0.00 H new ATOM 242 N GLY A 16 -2.771 6.354 5.905 1.00 0.00 N ATOM 243 CA GLY A 16 -4.017 6.775 5.283 1.00 0.00 C ATOM 244 C GLY A 16 -4.708 5.661 4.509 1.00 0.00 C ATOM 245 O GLY A 16 -5.915 5.721 4.281 1.00 0.00 O ATOM 0 H GLY A 16 -2.763 5.388 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.693 7.146 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.816 7.607 4.608 1.00 0.00 H new ATOM 249 N PHE A 17 -3.944 4.644 4.102 1.00 0.00 N ATOM 250 CA PHE A 17 -4.500 3.523 3.352 1.00 0.00 C ATOM 251 C PHE A 17 -4.838 2.361 4.285 1.00 0.00 C ATOM 252 O PHE A 17 -4.074 2.042 5.198 1.00 0.00 O ATOM 253 CB PHE A 17 -3.524 3.068 2.258 1.00 0.00 C ATOM 254 CG PHE A 17 -2.171 2.649 2.772 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.936 1.338 3.158 1.00 0.00 C ATOM 256 CD2 PHE A 17 -1.134 3.567 2.867 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.695 0.951 3.627 1.00 0.00 C ATOM 258 CE2 PHE A 17 0.108 3.184 3.337 1.00 0.00 C ATOM 259 CZ PHE A 17 0.328 1.875 3.718 1.00 0.00 C ATOM 0 H PHE A 17 -2.942 4.577 4.280 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.421 3.857 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.968 2.234 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.393 3.880 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.732 0.611 3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.300 4.592 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.525 -0.074 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.906 3.908 3.406 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.298 1.574 4.086 1.00 0.00 H new ATOM 269 N THR A 18 -5.994 1.739 4.056 1.00 0.00 N ATOM 270 CA THR A 18 -6.440 0.617 4.880 1.00 0.00 C ATOM 271 C THR A 18 -6.120 -0.720 4.213 1.00 0.00 C ATOM 272 O THR A 18 -6.370 -0.908 3.021 1.00 0.00 O ATOM 273 CB THR A 18 -7.942 0.725 5.166 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.331 2.082 5.322 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.366 -0.019 6.413 1.00 0.00 C ATOM 0 H THR A 18 -6.638 1.993 3.307 1.00 0.00 H new ATOM 0 HA THR A 18 -5.899 0.660 5.825 1.00 0.00 H new ATOM 0 HB THR A 18 -8.433 0.272 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.437 2.495 4.440 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.440 0.097 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.127 -1.077 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.837 0.386 7.276 1.00 0.00 H new ATOM 283 N LEU A 19 -5.557 -1.641 4.998 1.00 0.00 N ATOM 284 CA LEU A 19 -5.184 -2.963 4.501 1.00 0.00 C ATOM 285 C LEU A 19 -5.966 -4.068 5.210 1.00 0.00 C ATOM 286 O LEU A 19 -6.068 -4.076 6.439 1.00 0.00 O ATOM 287 CB LEU A 19 -3.681 -3.187 4.701 1.00 0.00 C ATOM 288 CG LEU A 19 -2.831 -3.095 3.433 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.352 -3.041 3.789 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.123 -4.272 2.513 1.00 0.00 C ATOM 0 H LEU A 19 -5.349 -1.492 5.985 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.427 -3.004 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.314 -2.453 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.533 -4.171 5.147 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.089 -2.177 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.760 -2.976 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.159 -2.166 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.076 -3.942 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.510 -4.192 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.891 -5.204 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.177 -4.264 2.235 1.00 0.00 H new ATOM 302 N SER A 20 -6.503 -5.009 4.430 1.00 0.00 N ATOM 303 CA SER A 20 -7.267 -6.131 4.978 1.00 0.00 C ATOM 304 C SER A 20 -7.135 -7.373 4.093 1.00 0.00 C ATOM 305 O SER A 20 -6.671 -7.291 2.954 1.00 0.00 O ATOM 306 CB SER A 20 -8.746 -5.758 5.116 1.00 0.00 C ATOM 307 OG SER A 20 -8.952 -4.859 6.193 1.00 0.00 O ATOM 0 H SER A 20 -6.422 -5.015 3.413 1.00 0.00 H new ATOM 0 HA SER A 20 -6.859 -6.358 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.097 -5.305 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.338 -6.660 5.274 1.00 0.00 H new ATOM 0 HG SER A 20 -8.086 -4.573 6.550 1.00 0.00 H new ATOM 313 N GLY A 21 -7.554 -8.524 4.627 1.00 0.00 N ATOM 314 CA GLY A 21 -7.484 -9.770 3.877 1.00 0.00 C ATOM 315 C GLY A 21 -6.533 -10.782 4.498 1.00 0.00 C ATOM 316 O GLY A 21 -6.774 -11.988 4.430 1.00 0.00 O ATOM 0 H GLY A 21 -7.941 -8.614 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.481 -10.207 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.164 -9.557 2.857 1.00 0.00 H new ATOM 320 N GLN A 22 -5.449 -10.279 5.095 1.00 0.00 N ATOM 321 CA GLN A 22 -4.426 -11.108 5.740 1.00 0.00 C ATOM 322 C GLN A 22 -3.461 -11.706 4.717 1.00 0.00 C ATOM 323 O GLN A 22 -2.244 -11.616 4.877 1.00 0.00 O ATOM 324 CB GLN A 22 -5.056 -12.221 6.586 1.00 0.00 C ATOM 325 CG GLN A 22 -4.507 -12.285 8.002 1.00 0.00 C ATOM 326 CD GLN A 22 -3.917 -13.640 8.344 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.569 -14.472 8.971 1.00 0.00 O ATOM 328 NE2 GLN A 22 -2.671 -13.867 7.936 1.00 0.00 N ATOM 0 H GLN A 22 -5.255 -9.279 5.145 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.860 -10.453 6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.135 -12.069 6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.888 -13.180 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.741 -11.519 8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.305 -12.053 8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.165 -13.149 7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.222 -14.759 8.141 1.00 0.00 H new ATOM 337 N ALA A 23 -4.017 -12.317 3.675 1.00 0.00 N ATOM 338 CA ALA A 23 -3.216 -12.938 2.628 1.00 0.00 C ATOM 339 C ALA A 23 -3.063 -12.015 1.418 1.00 0.00 C ATOM 340 O ALA A 23 -1.954 -11.579 1.105 1.00 0.00 O ATOM 341 CB ALA A 23 -3.840 -14.264 2.223 1.00 0.00 C ATOM 0 H ALA A 23 -5.024 -12.395 3.534 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.216 -13.121 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.238 -14.725 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.880 -14.926 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.850 -14.092 1.851 1.00 0.00 H new ATOM 347 N PRO A 24 -4.174 -11.699 0.710 1.00 0.00 N ATOM 348 CA PRO A 24 -4.134 -10.825 -0.464 1.00 0.00 C ATOM 349 C PRO A 24 -4.075 -9.346 -0.089 1.00 0.00 C ATOM 350 O PRO A 24 -5.109 -8.717 0.150 1.00 0.00 O ATOM 351 CB PRO A 24 -5.443 -11.150 -1.180 1.00 0.00 C ATOM 352 CG PRO A 24 -6.383 -11.526 -0.087 1.00 0.00 C ATOM 353 CD PRO A 24 -5.548 -12.168 0.992 1.00 0.00 C ATOM 0 HA PRO A 24 -3.245 -10.992 -1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.811 -10.292 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.314 -11.966 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.904 -10.648 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.145 -12.216 -0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.877 -11.864 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.614 -13.255 0.954 1.00 0.00 H new ATOM 361 N CYS A 25 -2.862 -8.799 -0.038 1.00 0.00 N ATOM 362 CA CYS A 25 -2.670 -7.391 0.304 1.00 0.00 C ATOM 363 C CYS A 25 -3.402 -6.502 -0.696 1.00 0.00 C ATOM 364 O CYS A 25 -3.030 -6.437 -1.868 1.00 0.00 O ATOM 365 CB CYS A 25 -1.181 -7.039 0.334 1.00 0.00 C ATOM 366 SG CYS A 25 -0.259 -7.836 1.670 1.00 0.00 S ATOM 0 H CYS A 25 -1.999 -9.308 -0.229 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.083 -7.219 1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.733 -7.320 -0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.076 -5.958 0.429 1.00 0.00 H new ATOM 0 HG CYS A 25 0.550 -8.723 1.170 1.00 0.00 H new ATOM 372 N VAL A 26 -4.453 -5.832 -0.233 1.00 0.00 N ATOM 373 CA VAL A 26 -5.249 -4.964 -1.091 1.00 0.00 C ATOM 374 C VAL A 26 -5.796 -3.769 -0.315 1.00 0.00 C ATOM 375 O VAL A 26 -6.165 -3.894 0.856 1.00 0.00 O ATOM 376 CB VAL A 26 -6.418 -5.743 -1.731 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.317 -6.353 -0.663 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.220 -4.849 -2.668 1.00 0.00 C ATOM 0 H VAL A 26 -4.773 -5.875 0.735 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.591 -4.598 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.995 -6.557 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.132 -6.896 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.736 -7.039 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.727 -5.561 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.038 -5.422 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.626 -4.007 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.571 -4.478 -3.461 1.00 0.00 H new ATOM 388 N LEU A 27 -5.847 -2.614 -0.976 1.00 0.00 N ATOM 389 CA LEU A 27 -6.355 -1.402 -0.351 1.00 0.00 C ATOM 390 C LEU A 27 -7.882 -1.401 -0.339 1.00 0.00 C ATOM 391 O LEU A 27 -8.520 -0.946 -1.288 1.00 0.00 O ATOM 392 CB LEU A 27 -5.830 -0.161 -1.076 1.00 0.00 C ATOM 393 CG LEU A 27 -5.075 0.832 -0.192 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.765 1.240 -0.849 1.00 0.00 C ATOM 395 CD2 LEU A 27 -5.938 2.053 0.103 1.00 0.00 C ATOM 0 H LEU A 27 -5.543 -2.496 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.001 -1.378 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.170 -0.482 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.672 0.354 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.844 0.345 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.240 1.947 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.144 0.357 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.971 1.708 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.383 2.747 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.204 2.545 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.846 1.741 0.619 1.00 0.00 H new ATOM 407 N SER A 28 -8.455 -1.920 0.746 1.00 0.00 N ATOM 408 CA SER A 28 -9.908 -1.987 0.897 1.00 0.00 C ATOM 409 C SER A 28 -10.550 -0.608 0.727 1.00 0.00 C ATOM 410 O SER A 28 -11.630 -0.487 0.144 1.00 0.00 O ATOM 411 CB SER A 28 -10.270 -2.569 2.264 1.00 0.00 C ATOM 412 OG SER A 28 -10.365 -3.982 2.206 1.00 0.00 O ATOM 0 H SER A 28 -7.934 -2.301 1.535 1.00 0.00 H new ATOM 0 HA SER A 28 -10.296 -2.639 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.516 -2.282 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.218 -2.151 2.602 1.00 0.00 H new ATOM 0 HG SER A 28 -10.748 -4.319 3.043 1.00 0.00 H new ATOM 418 N CYS A 29 -9.877 0.428 1.231 1.00 0.00 N ATOM 419 CA CYS A 29 -10.378 1.796 1.129 1.00 0.00 C ATOM 420 C CYS A 29 -9.297 2.810 1.492 1.00 0.00 C ATOM 421 O CYS A 29 -8.358 2.499 2.229 1.00 0.00 O ATOM 422 CB CYS A 29 -11.599 1.993 2.032 1.00 0.00 C ATOM 423 SG CYS A 29 -12.692 3.335 1.511 1.00 0.00 S ATOM 0 H CYS A 29 -8.983 0.343 1.714 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.672 1.962 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.169 1.065 2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.258 2.190 3.048 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.695 3.422 2.334 1.00 0.00 H new ATOM 429 N VAL A 30 -9.445 4.028 0.974 1.00 0.00 N ATOM 430 CA VAL A 30 -8.494 5.104 1.240 1.00 0.00 C ATOM 431 C VAL A 30 -9.145 6.199 2.079 1.00 0.00 C ATOM 432 O VAL A 30 -10.366 6.363 2.061 1.00 0.00 O ATOM 433 CB VAL A 30 -7.944 5.725 -0.066 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.629 6.445 0.198 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.765 4.665 -1.146 1.00 0.00 C ATOM 0 H VAL A 30 -10.219 4.294 0.365 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.662 4.663 1.789 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.673 6.452 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.257 6.876 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.789 7.239 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.898 5.736 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.377 5.131 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.063 3.907 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.726 4.198 -1.361 1.00 0.00 H new ATOM 445 N MET A 31 -8.324 6.951 2.810 1.00 0.00 N ATOM 446 CA MET A 31 -8.817 8.031 3.653 1.00 0.00 C ATOM 447 C MET A 31 -8.561 9.380 3.000 1.00 0.00 C ATOM 448 O MET A 31 -7.442 9.897 3.028 1.00 0.00 O ATOM 449 CB MET A 31 -8.159 7.997 5.033 1.00 0.00 C ATOM 450 CG MET A 31 -8.247 6.649 5.734 1.00 0.00 C ATOM 451 SD MET A 31 -9.630 6.549 6.884 1.00 0.00 S ATOM 452 CE MET A 31 -10.845 5.703 5.875 1.00 0.00 C ATOM 0 H MET A 31 -7.312 6.829 2.833 1.00 0.00 H new ATOM 0 HA MET A 31 -9.891 7.890 3.774 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.109 8.272 4.929 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.626 8.753 5.664 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.344 5.862 4.987 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.318 6.464 6.273 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.847 6.000 6.186 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.696 5.968 4.828 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.732 4.626 5.996 1.00 0.00 H new ATOM 462 N ARG A 32 -9.612 9.937 2.417 1.00 0.00 N ATOM 463 CA ARG A 32 -9.534 11.234 1.749 1.00 0.00 C ATOM 464 C ARG A 32 -8.909 12.281 2.670 1.00 0.00 C ATOM 465 O ARG A 32 -9.376 12.493 3.789 1.00 0.00 O ATOM 466 CB ARG A 32 -10.926 11.694 1.307 1.00 0.00 C ATOM 467 CG ARG A 32 -11.260 11.329 -0.130 1.00 0.00 C ATOM 468 CD ARG A 32 -12.670 11.756 -0.499 1.00 0.00 C ATOM 469 NE ARG A 32 -13.199 10.989 -1.627 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.665 9.742 -1.530 1.00 0.00 C ATOM 471 NH1 ARG A 32 -13.646 9.100 -0.362 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.150 9.130 -2.606 1.00 0.00 N ATOM 0 H ARG A 32 -10.538 9.509 2.392 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.902 11.122 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.672 11.253 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.996 12.775 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.547 11.805 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.157 10.252 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.324 11.630 0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.673 12.817 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.213 11.435 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.273 9.562 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.004 8.147 -0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.166 9.613 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.506 8.177 -2.533 1.00 0.00 H new ATOM 486 N GLY A 33 -7.843 12.915 2.194 1.00 0.00 N ATOM 487 CA GLY A 33 -7.153 13.920 2.986 1.00 0.00 C ATOM 488 C GLY A 33 -5.812 13.429 3.522 1.00 0.00 C ATOM 489 O GLY A 33 -5.136 14.149 4.257 1.00 0.00 O ATOM 0 H GLY A 33 -7.442 12.751 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.992 14.809 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.787 14.216 3.822 1.00 0.00 H new ATOM 493 N SER A 34 -5.425 12.211 3.144 1.00 0.00 N ATOM 494 CA SER A 34 -4.161 11.631 3.578 1.00 0.00 C ATOM 495 C SER A 34 -3.174 11.587 2.410 1.00 0.00 C ATOM 496 O SER A 34 -3.565 11.776 1.256 1.00 0.00 O ATOM 497 CB SER A 34 -4.395 10.221 4.132 1.00 0.00 C ATOM 498 OG SER A 34 -4.524 10.240 5.543 1.00 0.00 O ATOM 0 H SER A 34 -5.975 11.606 2.534 1.00 0.00 H new ATOM 0 HA SER A 34 -3.738 12.252 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.296 9.798 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.565 9.574 3.849 1.00 0.00 H new ATOM 0 HG SER A 34 -4.674 9.328 5.870 1.00 0.00 H new ATOM 504 N PRO A 35 -1.877 11.331 2.688 1.00 0.00 N ATOM 505 CA PRO A 35 -0.837 11.256 1.651 1.00 0.00 C ATOM 506 C PRO A 35 -1.211 10.311 0.506 1.00 0.00 C ATOM 507 O PRO A 35 -0.791 10.513 -0.634 1.00 0.00 O ATOM 508 CB PRO A 35 0.400 10.729 2.397 1.00 0.00 C ATOM 509 CG PRO A 35 -0.091 10.280 3.735 1.00 0.00 C ATOM 510 CD PRO A 35 -1.320 11.090 4.026 1.00 0.00 C ATOM 0 HA PRO A 35 -0.680 12.226 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.862 9.905 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.156 11.508 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.320 9.214 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.669 10.437 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.019 10.549 4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.078 12.022 4.537 1.00 0.00 H new ATOM 518 N ALA A 36 -2.006 9.286 0.817 1.00 0.00 N ATOM 519 CA ALA A 36 -2.442 8.317 -0.187 1.00 0.00 C ATOM 520 C ALA A 36 -3.306 8.986 -1.256 1.00 0.00 C ATOM 521 O ALA A 36 -3.071 8.816 -2.453 1.00 0.00 O ATOM 522 CB ALA A 36 -3.201 7.172 0.471 1.00 0.00 C ATOM 0 H ALA A 36 -2.361 9.106 1.756 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.554 7.912 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.518 6.460 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.552 6.670 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.077 7.565 0.987 1.00 0.00 H new ATOM 528 N ASP A 37 -4.299 9.751 -0.812 1.00 0.00 N ATOM 529 CA ASP A 37 -5.198 10.457 -1.727 1.00 0.00 C ATOM 530 C ASP A 37 -4.453 11.549 -2.490 1.00 0.00 C ATOM 531 O ASP A 37 -4.752 11.817 -3.654 1.00 0.00 O ATOM 532 CB ASP A 37 -6.374 11.069 -0.961 1.00 0.00 C ATOM 533 CG ASP A 37 -7.692 10.382 -1.276 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.956 9.309 -0.696 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.459 10.921 -2.102 1.00 0.00 O ATOM 0 H ASP A 37 -4.504 9.900 0.176 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.581 9.731 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.180 11.003 0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.452 12.128 -1.206 1.00 0.00 H new ATOM 540 N PHE A 38 -3.481 12.172 -1.828 1.00 0.00 N ATOM 541 CA PHE A 38 -2.686 13.236 -2.444 1.00 0.00 C ATOM 542 C PHE A 38 -1.924 12.728 -3.672 1.00 0.00 C ATOM 543 O PHE A 38 -1.617 13.502 -4.579 1.00 0.00 O ATOM 544 CB PHE A 38 -1.701 13.816 -1.428 1.00 0.00 C ATOM 545 CG PHE A 38 -2.349 14.408 -0.201 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.681 14.806 -0.212 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.621 14.568 0.968 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.267 15.348 0.918 1.00 0.00 C ATOM 549 CE2 PHE A 38 -2.203 15.108 2.097 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.526 15.502 2.073 1.00 0.00 C ATOM 0 H PHE A 38 -3.223 11.960 -0.864 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.374 14.016 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.013 13.030 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.105 14.586 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.265 14.691 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.584 14.266 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.304 15.651 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.623 15.223 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.980 15.929 2.955 1.00 0.00 H new ATOM 560 N VAL A 39 -1.619 11.428 -3.699 1.00 0.00 N ATOM 561 CA VAL A 39 -0.896 10.835 -4.822 1.00 0.00 C ATOM 562 C VAL A 39 -1.863 10.343 -5.904 1.00 0.00 C ATOM 563 O VAL A 39 -1.531 10.342 -7.089 1.00 0.00 O ATOM 564 CB VAL A 39 -0.006 9.654 -4.368 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.842 9.144 -5.523 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.875 10.059 -3.190 1.00 0.00 C ATOM 0 H VAL A 39 -1.861 10.770 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.260 11.619 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.659 8.845 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.460 8.314 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.192 8.805 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.482 9.948 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.492 9.212 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.517 10.889 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.246 10.366 -2.354 1.00 0.00 H new ATOM 576 N GLY A 40 -3.061 9.932 -5.485 1.00 0.00 N ATOM 577 CA GLY A 40 -4.057 9.451 -6.427 1.00 0.00 C ATOM 578 C GLY A 40 -4.352 7.973 -6.265 1.00 0.00 C ATOM 579 O GLY A 40 -4.389 7.230 -7.247 1.00 0.00 O ATOM 0 H GLY A 40 -3.357 9.924 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.979 10.018 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.710 9.639 -7.443 1.00 0.00 H new ATOM 583 N LEU A 41 -4.562 7.548 -5.021 1.00 0.00 N ATOM 584 CA LEU A 41 -4.857 6.155 -4.724 1.00 0.00 C ATOM 585 C LEU A 41 -6.325 5.844 -4.992 1.00 0.00 C ATOM 586 O LEU A 41 -7.175 6.735 -4.974 1.00 0.00 O ATOM 587 CB LEU A 41 -4.505 5.842 -3.266 1.00 0.00 C ATOM 588 CG LEU A 41 -3.658 4.582 -3.059 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.400 4.636 -3.914 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.299 4.418 -1.592 1.00 0.00 C ATOM 0 H LEU A 41 -4.532 8.154 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.251 5.527 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.970 6.694 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.430 5.736 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.246 3.718 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.812 3.733 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.678 4.706 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.808 5.508 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.697 3.518 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.730 5.286 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.211 4.332 -1.002 1.00 0.00 H new ATOM 602 N ARG A 42 -6.609 4.568 -5.231 1.00 0.00 N ATOM 603 CA ARG A 42 -7.967 4.113 -5.503 1.00 0.00 C ATOM 604 C ARG A 42 -8.193 2.711 -4.943 1.00 0.00 C ATOM 605 O ARG A 42 -7.531 1.758 -5.356 1.00 0.00 O ATOM 606 CB ARG A 42 -8.242 4.122 -7.010 1.00 0.00 C ATOM 607 CG ARG A 42 -8.473 5.515 -7.577 1.00 0.00 C ATOM 608 CD ARG A 42 -9.807 6.088 -7.123 1.00 0.00 C ATOM 609 NE ARG A 42 -10.935 5.543 -7.884 1.00 0.00 N ATOM 610 CZ ARG A 42 -12.196 5.974 -7.765 1.00 0.00 C ATOM 611 NH1 ARG A 42 -12.498 6.950 -6.913 1.00 0.00 N ATOM 612 NH2 ARG A 42 -13.157 5.426 -8.497 1.00 0.00 N ATOM 0 H ARG A 42 -5.910 3.825 -5.242 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.657 4.799 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.400 3.663 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.117 3.505 -7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.666 6.176 -7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.445 5.475 -8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.950 5.875 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.789 7.173 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.747 4.789 -8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.766 7.375 -6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.462 7.273 -6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.935 4.676 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.118 5.755 -8.406 1.00 0.00 H new ATOM 626 N ALA A 43 -9.130 2.601 -3.999 1.00 0.00 N ATOM 627 CA ALA A 43 -9.461 1.329 -3.366 1.00 0.00 C ATOM 628 C ALA A 43 -9.792 0.255 -4.396 1.00 0.00 C ATOM 629 O ALA A 43 -10.237 0.552 -5.506 1.00 0.00 O ATOM 630 CB ALA A 43 -10.623 1.502 -2.401 1.00 0.00 C ATOM 0 H ALA A 43 -9.677 3.390 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.581 1.001 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.857 0.544 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.351 2.222 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.496 1.865 -2.944 1.00 0.00 H new ATOM 636 N GLY A 44 -9.543 -0.992 -4.017 1.00 0.00 N ATOM 637 CA GLY A 44 -9.782 -2.118 -4.905 1.00 0.00 C ATOM 638 C GLY A 44 -8.487 -2.617 -5.527 1.00 0.00 C ATOM 639 O GLY A 44 -8.354 -3.802 -5.840 1.00 0.00 O ATOM 0 H GLY A 44 -9.176 -1.247 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.256 -2.927 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.475 -1.822 -5.692 1.00 0.00 H new ATOM 643 N ASP A 45 -7.531 -1.701 -5.688 1.00 0.00 N ATOM 644 CA ASP A 45 -6.228 -2.011 -6.255 1.00 0.00 C ATOM 645 C ASP A 45 -5.496 -3.066 -5.428 1.00 0.00 C ATOM 646 O ASP A 45 -5.250 -2.877 -4.237 1.00 0.00 O ATOM 647 CB ASP A 45 -5.395 -0.724 -6.334 1.00 0.00 C ATOM 648 CG ASP A 45 -5.084 -0.116 -4.970 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.986 -0.072 -4.108 1.00 0.00 O ATOM 650 OD2 ASP A 45 -3.937 0.327 -4.769 1.00 0.00 O ATOM 0 H ASP A 45 -7.644 -0.722 -5.426 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.371 -2.421 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.459 -0.938 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.931 0.010 -6.936 1.00 0.00 H new ATOM 655 N GLN A 46 -5.145 -4.177 -6.072 1.00 0.00 N ATOM 656 CA GLN A 46 -4.435 -5.256 -5.396 1.00 0.00 C ATOM 657 C GLN A 46 -2.957 -4.903 -5.255 1.00 0.00 C ATOM 658 O GLN A 46 -2.308 -4.499 -6.223 1.00 0.00 O ATOM 659 CB GLN A 46 -4.594 -6.577 -6.156 1.00 0.00 C ATOM 660 CG GLN A 46 -5.875 -7.325 -5.821 1.00 0.00 C ATOM 661 CD GLN A 46 -5.823 -8.783 -6.239 1.00 0.00 C ATOM 662 OE1 GLN A 46 -6.219 -9.136 -7.351 1.00 0.00 O ATOM 663 NE2 GLN A 46 -5.333 -9.642 -5.351 1.00 0.00 N ATOM 0 H GLN A 46 -5.341 -4.352 -7.058 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.867 -5.381 -4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.571 -6.375 -7.227 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.741 -7.218 -5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.057 -7.264 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.716 -6.838 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.016 -9.309 -4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.274 -10.634 -5.580 1.00 0.00 H new ATOM 672 N ILE A 47 -2.433 -5.054 -4.047 1.00 0.00 N ATOM 673 CA ILE A 47 -1.035 -4.748 -3.776 1.00 0.00 C ATOM 674 C ILE A 47 -0.138 -5.935 -4.121 1.00 0.00 C ATOM 675 O ILE A 47 -0.378 -7.057 -3.673 1.00 0.00 O ATOM 676 CB ILE A 47 -0.820 -4.360 -2.299 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.825 -3.282 -1.880 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.609 -3.878 -2.084 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.065 -3.226 -0.387 1.00 0.00 C ATOM 0 H ILE A 47 -2.956 -5.387 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.766 -3.900 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.983 -5.240 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.465 -2.310 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.773 -3.465 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.748 -3.607 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.305 -4.674 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.798 -3.007 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.787 -2.440 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.455 -4.185 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.127 -3.012 0.125 1.00 0.00 H new ATOM 691 N LEU A 48 0.892 -5.676 -4.923 1.00 0.00 N ATOM 692 CA LEU A 48 1.824 -6.723 -5.331 1.00 0.00 C ATOM 693 C LEU A 48 3.167 -6.585 -4.615 1.00 0.00 C ATOM 694 O LEU A 48 3.735 -7.576 -4.157 1.00 0.00 O ATOM 695 CB LEU A 48 2.021 -6.697 -6.852 1.00 0.00 C ATOM 696 CG LEU A 48 0.806 -7.138 -7.681 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.290 -8.490 -7.206 1.00 0.00 C ATOM 698 CD2 LEU A 48 -0.301 -6.092 -7.619 1.00 0.00 C ATOM 0 H LEU A 48 1.102 -4.753 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 48 1.394 -7.684 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.294 -5.684 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.864 -7.341 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 48 1.124 -7.238 -8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.571 -8.783 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.077 -9.237 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.006 -8.419 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.151 -6.426 -8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.614 -5.954 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.069 -5.146 -8.015 1.00 0.00 H new ATOM 710 N ALA A 49 3.667 -5.352 -4.520 1.00 0.00 N ATOM 711 CA ALA A 49 4.944 -5.084 -3.856 1.00 0.00 C ATOM 712 C ALA A 49 4.816 -3.952 -2.836 1.00 0.00 C ATOM 713 O ALA A 49 4.181 -2.934 -3.108 1.00 0.00 O ATOM 714 CB ALA A 49 6.014 -4.747 -4.886 1.00 0.00 C ATOM 0 H ALA A 49 3.207 -4.522 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 49 5.238 -5.986 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.958 -4.550 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.138 -5.587 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.713 -3.863 -5.448 1.00 0.00 H new ATOM 720 N VAL A 50 5.431 -4.138 -1.667 1.00 0.00 N ATOM 721 CA VAL A 50 5.399 -3.131 -0.604 1.00 0.00 C ATOM 722 C VAL A 50 6.777 -2.980 0.023 1.00 0.00 C ATOM 723 O VAL A 50 7.282 -3.909 0.651 1.00 0.00 O ATOM 724 CB VAL A 50 4.378 -3.477 0.502 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.088 -2.253 1.361 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.095 -4.025 -0.103 1.00 0.00 C ATOM 0 H VAL A 50 5.959 -4.979 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 50 5.092 -2.194 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 50 4.810 -4.249 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.367 -2.514 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.011 -1.908 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.678 -1.459 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.390 -4.262 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.657 -3.278 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.318 -4.928 -0.671 1.00 0.00 H new ATOM 736 N ASN A 51 7.389 -1.813 -0.178 1.00 0.00 N ATOM 737 CA ASN A 51 8.727 -1.537 0.338 1.00 0.00 C ATOM 738 C ASN A 51 9.769 -2.243 -0.533 1.00 0.00 C ATOM 739 O ASN A 51 10.825 -2.658 -0.054 1.00 0.00 O ATOM 740 CB ASN A 51 8.854 -1.978 1.805 1.00 0.00 C ATOM 741 CG ASN A 51 9.719 -1.033 2.622 1.00 0.00 C ATOM 742 OD1 ASN A 51 10.825 -0.677 2.215 1.00 0.00 O ATOM 743 ND2 ASN A 51 9.220 -0.623 3.783 1.00 0.00 N ATOM 0 H ASN A 51 6.975 -1.040 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 51 8.902 -0.462 0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.861 -2.035 2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.279 -2.981 1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.758 0.011 4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.299 -0.942 4.083 1.00 0.00 H new ATOM 750 N GLU A 52 9.440 -2.367 -1.825 1.00 0.00 N ATOM 751 CA GLU A 52 10.301 -3.007 -2.821 1.00 0.00 C ATOM 752 C GLU A 52 10.231 -4.542 -2.763 1.00 0.00 C ATOM 753 O GLU A 52 10.826 -5.221 -3.604 1.00 0.00 O ATOM 754 CB GLU A 52 11.755 -2.503 -2.699 1.00 0.00 C ATOM 755 CG GLU A 52 12.720 -3.453 -1.991 1.00 0.00 C ATOM 756 CD GLU A 52 14.142 -3.357 -2.520 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.316 -3.239 -3.753 1.00 0.00 O ATOM 758 OE2 GLU A 52 15.083 -3.397 -1.700 1.00 0.00 O ATOM 0 H GLU A 52 8.560 -2.022 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 52 9.922 -2.719 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.138 -2.303 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.749 -1.553 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.720 -3.233 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.364 -4.477 -2.106 1.00 0.00 H new ATOM 765 N ILE A 53 9.507 -5.092 -1.784 1.00 0.00 N ATOM 766 CA ILE A 53 9.381 -6.541 -1.660 1.00 0.00 C ATOM 767 C ILE A 53 7.952 -7.003 -1.954 1.00 0.00 C ATOM 768 O ILE A 53 6.991 -6.527 -1.346 1.00 0.00 O ATOM 769 CB ILE A 53 9.816 -7.035 -0.261 1.00 0.00 C ATOM 770 CG1 ILE A 53 8.878 -6.505 0.825 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.251 -6.614 0.021 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.084 -7.591 1.512 1.00 0.00 C ATOM 0 H ILE A 53 9.005 -4.559 -1.074 1.00 0.00 H new ATOM 0 HA ILE A 53 10.049 -6.979 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 53 9.760 -8.124 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.464 -5.967 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.189 -5.787 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.546 -6.967 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.911 -7.046 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.325 -5.527 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.440 -7.146 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.472 -8.114 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.767 -8.297 1.985 1.00 0.00 H new ATOM 784 N ASN A 54 7.826 -7.931 -2.902 1.00 0.00 N ATOM 785 CA ASN A 54 6.531 -8.466 -3.299 1.00 0.00 C ATOM 786 C ASN A 54 5.891 -9.262 -2.169 1.00 0.00 C ATOM 787 O ASN A 54 6.530 -10.118 -1.556 1.00 0.00 O ATOM 788 CB ASN A 54 6.682 -9.350 -4.540 1.00 0.00 C ATOM 789 CG ASN A 54 6.418 -8.594 -5.830 1.00 0.00 C ATOM 790 OD1 ASN A 54 7.029 -7.557 -6.089 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.507 -9.111 -6.649 1.00 0.00 N ATOM 0 H ASN A 54 8.615 -8.329 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 54 5.879 -7.625 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.690 -9.765 -4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.993 -10.191 -4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.291 -8.646 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.024 -9.973 -6.395 1.00 0.00 H new ATOM 798 N VAL A 55 4.625 -8.969 -1.903 1.00 0.00 N ATOM 799 CA VAL A 55 3.882 -9.650 -0.846 1.00 0.00 C ATOM 800 C VAL A 55 2.543 -10.183 -1.362 1.00 0.00 C ATOM 801 O VAL A 55 1.484 -9.894 -0.797 1.00 0.00 O ATOM 802 CB VAL A 55 3.643 -8.715 0.359 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.955 -8.412 1.070 1.00 0.00 C ATOM 804 CG2 VAL A 55 2.957 -7.427 -0.077 1.00 0.00 C ATOM 0 H VAL A 55 4.088 -8.262 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 55 4.489 -10.494 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 55 2.983 -9.227 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.766 -7.752 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.399 -9.342 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.641 -7.926 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.800 -6.786 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.584 -6.908 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.995 -7.663 -0.532 1.00 0.00 H new ATOM 814 N LYS A 56 2.600 -10.960 -2.443 1.00 0.00 N ATOM 815 CA LYS A 56 1.399 -11.536 -3.048 1.00 0.00 C ATOM 816 C LYS A 56 0.598 -12.341 -2.030 1.00 0.00 C ATOM 817 O LYS A 56 -0.587 -12.085 -1.818 1.00 0.00 O ATOM 818 CB LYS A 56 1.772 -12.421 -4.241 1.00 0.00 C ATOM 819 CG LYS A 56 2.377 -11.655 -5.407 1.00 0.00 C ATOM 820 CD LYS A 56 2.381 -12.492 -6.679 1.00 0.00 C ATOM 821 CE LYS A 56 3.751 -13.103 -6.945 1.00 0.00 C ATOM 822 NZ LYS A 56 3.768 -14.575 -6.703 1.00 0.00 N ATOM 0 H LYS A 56 3.468 -11.206 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 56 0.776 -10.713 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.480 -13.181 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.881 -12.945 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.812 -10.738 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.397 -11.360 -5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.638 -13.285 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.089 -11.870 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.042 -12.903 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.492 -12.623 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.719 -14.948 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.516 -14.767 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.081 -15.038 -7.331 1.00 0.00 H new ATOM 836 N LYS A 57 1.257 -13.309 -1.402 1.00 0.00 N ATOM 837 CA LYS A 57 0.611 -14.147 -0.398 1.00 0.00 C ATOM 838 C LYS A 57 1.416 -14.158 0.905 1.00 0.00 C ATOM 839 O LYS A 57 1.438 -15.162 1.624 1.00 0.00 O ATOM 840 CB LYS A 57 0.440 -15.578 -0.923 1.00 0.00 C ATOM 841 CG LYS A 57 -0.376 -15.673 -2.206 1.00 0.00 C ATOM 842 CD LYS A 57 -1.263 -16.909 -2.213 1.00 0.00 C ATOM 843 CE LYS A 57 -1.813 -17.199 -3.602 1.00 0.00 C ATOM 844 NZ LYS A 57 -3.247 -16.813 -3.728 1.00 0.00 N ATOM 0 H LYS A 57 2.238 -13.533 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.373 -13.727 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.425 -16.010 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.041 -16.182 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.993 -14.781 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.295 -15.701 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.692 -17.768 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.089 -16.768 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.226 -16.658 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.703 -18.261 -3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.581 -17.028 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.812 -17.347 -3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.350 -15.794 -3.545 1.00 0.00 H new ATOM 858 N ALA A 58 2.075 -13.035 1.207 1.00 0.00 N ATOM 859 CA ALA A 58 2.877 -12.914 2.417 1.00 0.00 C ATOM 860 C ALA A 58 1.992 -12.715 3.647 1.00 0.00 C ATOM 861 O ALA A 58 0.762 -12.726 3.546 1.00 0.00 O ATOM 862 CB ALA A 58 3.865 -11.763 2.284 1.00 0.00 C ATOM 0 H ALA A 58 2.065 -12.197 0.625 1.00 0.00 H new ATOM 0 HA ALA A 58 3.433 -13.842 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.457 -11.685 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.526 -11.947 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.320 -10.833 2.124 1.00 0.00 H new ATOM 868 N SER A 59 2.622 -12.527 4.803 1.00 0.00 N ATOM 869 CA SER A 59 1.886 -12.319 6.047 1.00 0.00 C ATOM 870 C SER A 59 1.528 -10.856 6.223 1.00 0.00 C ATOM 871 O SER A 59 2.353 -9.963 6.025 1.00 0.00 O ATOM 872 CB SER A 59 2.685 -12.815 7.256 1.00 0.00 C ATOM 873 OG SER A 59 4.050 -13.017 6.930 1.00 0.00 O ATOM 0 H SER A 59 3.637 -12.514 4.905 1.00 0.00 H new ATOM 0 HA SER A 59 0.966 -12.900 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.607 -12.091 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.255 -13.748 7.620 1.00 0.00 H new ATOM 0 HG SER A 59 4.533 -13.332 7.723 1.00 0.00 H new ATOM 879 N HIS A 60 0.278 -10.631 6.590 1.00 0.00 N ATOM 880 CA HIS A 60 -0.248 -9.292 6.797 1.00 0.00 C ATOM 881 C HIS A 60 0.560 -8.518 7.832 1.00 0.00 C ATOM 882 O HIS A 60 0.880 -7.345 7.627 1.00 0.00 O ATOM 883 CB HIS A 60 -1.707 -9.391 7.228 1.00 0.00 C ATOM 884 CG HIS A 60 -2.557 -8.270 6.726 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.003 -8.188 5.424 1.00 0.00 N ATOM 886 CD2 HIS A 60 -3.042 -7.180 7.359 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.727 -7.093 5.279 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.766 -6.463 6.440 1.00 0.00 N ATOM 0 H HIS A 60 -0.402 -11.373 6.753 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.174 -8.744 5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.119 -10.335 6.872 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.755 -9.412 8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.888 -6.921 8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.206 -6.768 4.367 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.255 -5.587 6.623 1.00 0.00 H new ATOM 897 N GLU A 61 0.890 -9.183 8.939 1.00 0.00 N ATOM 898 CA GLU A 61 1.669 -8.557 10.006 1.00 0.00 C ATOM 899 C GLU A 61 3.087 -8.242 9.533 1.00 0.00 C ATOM 900 O GLU A 61 3.672 -7.235 9.936 1.00 0.00 O ATOM 901 CB GLU A 61 1.713 -9.448 11.258 1.00 0.00 C ATOM 902 CG GLU A 61 2.130 -10.891 10.991 1.00 0.00 C ATOM 903 CD GLU A 61 1.034 -11.896 11.301 1.00 0.00 C ATOM 904 OE1 GLU A 61 0.427 -11.799 12.391 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.784 -12.782 10.456 1.00 0.00 O ATOM 0 H GLU A 61 0.631 -10.153 9.120 1.00 0.00 H new ATOM 0 HA GLU A 61 1.174 -7.622 10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.405 -9.010 11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.728 -9.448 11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.421 -10.991 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.010 -11.125 11.591 1.00 0.00 H new ATOM 912 N ASP A 62 3.629 -9.093 8.662 1.00 0.00 N ATOM 913 CA ASP A 62 4.968 -8.875 8.126 1.00 0.00 C ATOM 914 C ASP A 62 4.957 -7.704 7.153 1.00 0.00 C ATOM 915 O ASP A 62 5.855 -6.863 7.167 1.00 0.00 O ATOM 916 CB ASP A 62 5.494 -10.131 7.422 1.00 0.00 C ATOM 917 CG ASP A 62 6.829 -10.581 7.979 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.866 -10.034 7.547 1.00 0.00 O ATOM 919 OD2 ASP A 62 6.840 -11.477 8.850 1.00 0.00 O ATOM 0 H ASP A 62 3.164 -9.933 8.316 1.00 0.00 H new ATOM 0 HA ASP A 62 5.632 -8.647 8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.767 -10.937 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.596 -9.932 6.355 1.00 0.00 H new ATOM 924 N VAL A 63 3.923 -7.652 6.315 1.00 0.00 N ATOM 925 CA VAL A 63 3.784 -6.581 5.338 1.00 0.00 C ATOM 926 C VAL A 63 3.611 -5.227 6.027 1.00 0.00 C ATOM 927 O VAL A 63 4.245 -4.245 5.641 1.00 0.00 O ATOM 928 CB VAL A 63 2.596 -6.827 4.383 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.504 -5.717 3.345 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.719 -8.186 3.705 1.00 0.00 C ATOM 0 H VAL A 63 3.171 -8.341 6.295 1.00 0.00 H new ATOM 0 HA VAL A 63 4.702 -6.570 4.751 1.00 0.00 H new ATOM 0 HB VAL A 63 1.679 -6.823 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.661 -5.908 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.361 -4.760 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.425 -5.687 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.871 -8.337 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.645 -8.224 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.729 -8.971 4.462 1.00 0.00 H new ATOM 940 N VAL A 64 2.773 -5.185 7.062 1.00 0.00 N ATOM 941 CA VAL A 64 2.552 -3.959 7.808 1.00 0.00 C ATOM 942 C VAL A 64 3.830 -3.563 8.534 1.00 0.00 C ATOM 943 O VAL A 64 4.182 -2.386 8.595 1.00 0.00 O ATOM 944 CB VAL A 64 1.382 -4.094 8.809 1.00 0.00 C ATOM 945 CG1 VAL A 64 0.068 -4.313 8.073 1.00 0.00 C ATOM 946 CG2 VAL A 64 1.634 -5.210 9.807 1.00 0.00 C ATOM 0 H VAL A 64 2.240 -5.987 7.398 1.00 0.00 H new ATOM 0 HA VAL A 64 2.279 -3.178 7.098 1.00 0.00 H new ATOM 0 HB VAL A 64 1.312 -3.161 9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.743 -4.406 8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.127 -3.465 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.131 -5.225 7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.793 -5.278 10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.745 -6.155 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.545 -4.999 10.367 1.00 0.00 H new ATOM 956 N LYS A 65 4.529 -4.569 9.067 1.00 0.00 N ATOM 957 CA LYS A 65 5.780 -4.341 9.778 1.00 0.00 C ATOM 958 C LYS A 65 6.796 -3.636 8.883 1.00 0.00 C ATOM 959 O LYS A 65 7.487 -2.715 9.320 1.00 0.00 O ATOM 960 CB LYS A 65 6.355 -5.665 10.294 1.00 0.00 C ATOM 961 CG LYS A 65 7.479 -5.490 11.304 1.00 0.00 C ATOM 962 CD LYS A 65 8.182 -6.810 11.590 1.00 0.00 C ATOM 963 CE LYS A 65 8.592 -6.928 13.051 1.00 0.00 C ATOM 964 NZ LYS A 65 9.659 -7.951 13.248 1.00 0.00 N ATOM 0 H LYS A 65 4.246 -5.548 9.017 1.00 0.00 H new ATOM 0 HA LYS A 65 5.570 -3.696 10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.554 -6.245 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.725 -6.245 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.201 -4.767 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.076 -5.083 12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.521 -7.637 11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.065 -6.896 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.946 -5.961 13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.722 -7.191 13.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.910 -8.001 14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.313 -8.879 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.499 -7.687 12.695 1.00 0.00 H new ATOM 978 N LEU A 66 6.875 -4.072 7.626 1.00 0.00 N ATOM 979 CA LEU A 66 7.801 -3.479 6.664 1.00 0.00 C ATOM 980 C LEU A 66 7.471 -2.009 6.428 1.00 0.00 C ATOM 981 O LEU A 66 8.365 -1.161 6.393 1.00 0.00 O ATOM 982 CB LEU A 66 7.766 -4.239 5.337 1.00 0.00 C ATOM 983 CG LEU A 66 8.256 -5.690 5.403 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.470 -6.566 4.439 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.748 -5.766 5.105 1.00 0.00 C ATOM 0 H LEU A 66 6.309 -4.833 7.251 1.00 0.00 H new ATOM 0 HA LEU A 66 8.805 -3.549 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.743 -4.235 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.375 -3.699 4.611 1.00 0.00 H new ATOM 0 HG LEU A 66 8.090 -6.062 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.833 -7.592 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.413 -6.539 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.600 -6.196 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.077 -6.804 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.940 -5.374 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.296 -5.175 5.839 1.00 0.00 H new ATOM 997 N ILE A 67 6.182 -1.713 6.274 1.00 0.00 N ATOM 998 CA ILE A 67 5.727 -0.343 6.050 1.00 0.00 C ATOM 999 C ILE A 67 5.981 0.517 7.283 1.00 0.00 C ATOM 1000 O ILE A 67 6.412 1.666 7.174 1.00 0.00 O ATOM 1001 CB ILE A 67 4.224 -0.295 5.703 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.916 -1.233 4.534 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.796 1.129 5.377 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.439 -1.476 4.320 1.00 0.00 C ATOM 0 H ILE A 67 5.433 -2.405 6.300 1.00 0.00 H new ATOM 0 HA ILE A 67 6.295 0.049 5.206 1.00 0.00 H new ATOM 0 HB ILE A 67 3.657 -0.631 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.342 -0.814 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.411 -2.189 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.733 1.143 5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.980 1.771 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.367 1.494 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.300 -2.150 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.010 -1.925 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.940 -0.529 4.115 1.00 0.00 H new ATOM 1016 N GLY A 68 5.714 -0.054 8.456 1.00 0.00 N ATOM 1017 CA GLY A 68 5.922 0.667 9.700 1.00 0.00 C ATOM 1018 C GLY A 68 7.384 0.735 10.118 1.00 0.00 C ATOM 1019 O GLY A 68 7.708 1.339 11.143 1.00 0.00 O ATOM 0 H GLY A 68 5.357 -1.003 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.534 1.680 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.347 0.186 10.491 1.00 0.00 H new ATOM 1023 N LYS A 69 8.271 0.121 9.328 1.00 0.00 N ATOM 1024 CA LYS A 69 9.703 0.121 9.623 1.00 0.00 C ATOM 1025 C LYS A 69 10.378 1.404 9.128 1.00 0.00 C ATOM 1026 O LYS A 69 11.309 1.903 9.761 1.00 0.00 O ATOM 1027 CB LYS A 69 10.372 -1.103 8.991 1.00 0.00 C ATOM 1028 CG LYS A 69 11.813 -1.316 9.436 1.00 0.00 C ATOM 1029 CD LYS A 69 11.879 -1.949 10.817 1.00 0.00 C ATOM 1030 CE LYS A 69 12.319 -3.406 10.754 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.613 -3.575 10.029 1.00 0.00 N ATOM 0 H LYS A 69 8.019 -0.383 8.478 1.00 0.00 H new ATOM 0 HA LYS A 69 9.821 0.077 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.790 -1.991 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.348 -0.998 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.327 -1.954 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.337 -0.360 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.574 -1.387 11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.900 -1.886 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.418 -3.798 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.548 -3.995 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.137 -4.376 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.426 -3.759 9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.179 -2.708 10.123 1.00 0.00 H new ATOM 1045 N CYS A 70 9.902 1.931 7.997 1.00 0.00 N ATOM 1046 CA CYS A 70 10.465 3.154 7.424 1.00 0.00 C ATOM 1047 C CYS A 70 10.234 4.344 8.352 1.00 0.00 C ATOM 1048 O CYS A 70 11.183 5.013 8.766 1.00 0.00 O ATOM 1049 CB CYS A 70 9.856 3.430 6.043 1.00 0.00 C ATOM 1050 SG CYS A 70 11.036 4.088 4.840 1.00 0.00 S ATOM 0 H CYS A 70 9.131 1.531 7.462 1.00 0.00 H new ATOM 0 HA CYS A 70 11.540 3.012 7.310 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.432 2.505 5.652 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.033 4.136 6.154 1.00 0.00 H new ATOM 0 HG CYS A 70 10.390 4.603 3.836 1.00 0.00 H new ATOM 1056 N SER A 71 8.969 4.600 8.667 1.00 0.00 N ATOM 1057 CA SER A 71 8.592 5.709 9.548 1.00 0.00 C ATOM 1058 C SER A 71 8.894 7.054 8.893 1.00 0.00 C ATOM 1059 O SER A 71 9.269 8.019 9.565 1.00 0.00 O ATOM 1060 CB SER A 71 9.316 5.599 10.896 1.00 0.00 C ATOM 1061 OG SER A 71 8.462 5.079 11.899 1.00 0.00 O ATOM 0 H SER A 71 8.179 4.053 8.325 1.00 0.00 H new ATOM 0 HA SER A 71 7.518 5.648 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.190 4.956 10.790 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.678 6.582 11.198 1.00 0.00 H new ATOM 0 HG SER A 71 8.951 5.019 12.746 1.00 0.00 H new ATOM 1067 N GLY A 72 8.730 7.108 7.573 1.00 0.00 N ATOM 1068 CA GLY A 72 8.989 8.331 6.837 1.00 0.00 C ATOM 1069 C GLY A 72 8.302 8.348 5.488 1.00 0.00 C ATOM 1070 O GLY A 72 7.688 9.349 5.110 1.00 0.00 O ATOM 0 H GLY A 72 8.421 6.323 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.651 9.184 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.064 8.447 6.696 1.00 0.00 H new ATOM 1074 N VAL A 73 8.402 7.236 4.756 1.00 0.00 N ATOM 1075 CA VAL A 73 7.783 7.136 3.440 1.00 0.00 C ATOM 1076 C VAL A 73 7.800 5.700 2.914 1.00 0.00 C ATOM 1077 O VAL A 73 8.798 4.990 3.048 1.00 0.00 O ATOM 1078 CB VAL A 73 8.476 8.069 2.425 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.957 7.734 2.287 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.779 8.016 1.073 1.00 0.00 C ATOM 0 H VAL A 73 8.903 6.399 5.053 1.00 0.00 H new ATOM 0 HA VAL A 73 6.745 7.448 3.556 1.00 0.00 H new ATOM 0 HB VAL A 73 8.400 9.088 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.417 8.409 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.447 7.848 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.067 6.705 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.287 8.682 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.809 6.997 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.742 8.331 1.186 1.00 0.00 H new ATOM 1090 N LEU A 74 6.688 5.291 2.307 1.00 0.00 N ATOM 1091 CA LEU A 74 6.567 3.948 1.749 1.00 0.00 C ATOM 1092 C LEU A 74 6.436 3.990 0.229 1.00 0.00 C ATOM 1093 O LEU A 74 5.769 4.866 -0.326 1.00 0.00 O ATOM 1094 CB LEU A 74 5.360 3.219 2.346 1.00 0.00 C ATOM 1095 CG LEU A 74 5.091 1.832 1.753 1.00 0.00 C ATOM 1096 CD1 LEU A 74 5.957 0.780 2.430 1.00 0.00 C ATOM 1097 CD2 LEU A 74 3.614 1.474 1.866 1.00 0.00 C ATOM 0 H LEU A 74 5.858 5.872 2.189 1.00 0.00 H new ATOM 0 HA LEU A 74 7.477 3.406 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.510 3.117 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.473 3.837 2.205 1.00 0.00 H new ATOM 0 HG LEU A 74 5.353 1.857 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.750 -0.197 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.009 1.027 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.733 0.756 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.446 0.485 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.320 1.471 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.019 2.209 1.324 1.00 0.00 H new ATOM 1109 N HIS A 75 7.071 3.024 -0.432 1.00 0.00 N ATOM 1110 CA HIS A 75 7.028 2.918 -1.888 1.00 0.00 C ATOM 1111 C HIS A 75 6.543 1.528 -2.296 1.00 0.00 C ATOM 1112 O HIS A 75 7.316 0.566 -2.306 1.00 0.00 O ATOM 1113 CB HIS A 75 8.413 3.197 -2.485 1.00 0.00 C ATOM 1114 CG HIS A 75 9.077 4.413 -1.916 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.223 4.357 -1.153 1.00 0.00 N ATOM 1116 CD2 HIS A 75 8.748 5.726 -1.999 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.572 5.579 -0.792 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.694 6.427 -1.292 1.00 0.00 N ATOM 0 H HIS A 75 7.625 2.298 0.023 1.00 0.00 H new ATOM 0 HA HIS A 75 6.331 3.661 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.053 2.331 -2.316 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.317 3.317 -3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.901 6.143 -2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.430 5.839 -0.190 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.714 7.440 -1.173 1.00 0.00 H new ATOM 1127 N MET A 76 5.251 1.428 -2.617 1.00 0.00 N ATOM 1128 CA MET A 76 4.652 0.155 -3.011 1.00 0.00 C ATOM 1129 C MET A 76 4.142 0.201 -4.450 1.00 0.00 C ATOM 1130 O MET A 76 3.823 1.270 -4.975 1.00 0.00 O ATOM 1131 CB MET A 76 3.509 -0.218 -2.057 1.00 0.00 C ATOM 1132 CG MET A 76 2.488 0.892 -1.840 1.00 0.00 C ATOM 1133 SD MET A 76 1.112 0.370 -0.798 1.00 0.00 S ATOM 1134 CE MET A 76 -0.034 1.725 -1.044 1.00 0.00 C ATOM 0 H MET A 76 4.601 2.214 -2.611 1.00 0.00 H new ATOM 0 HA MET A 76 5.428 -0.609 -2.952 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.996 -1.096 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.933 -0.500 -1.093 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.981 1.750 -1.383 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.104 1.222 -2.805 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.938 1.547 -0.462 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.429 2.657 -0.719 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.291 1.797 -2.101 1.00 0.00 H new ATOM 1144 N VAL A 77 4.066 -0.972 -5.077 1.00 0.00 N ATOM 1145 CA VAL A 77 3.593 -1.085 -6.453 1.00 0.00 C ATOM 1146 C VAL A 77 2.252 -1.809 -6.509 1.00 0.00 C ATOM 1147 O VAL A 77 2.173 -3.016 -6.268 1.00 0.00 O ATOM 1148 CB VAL A 77 4.610 -1.826 -7.345 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.198 -1.749 -8.807 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.009 -1.258 -7.148 1.00 0.00 C ATOM 0 H VAL A 77 4.328 -1.861 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 77 3.473 -0.070 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 77 4.623 -2.875 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.929 -2.278 -9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.218 -2.209 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.152 -0.705 -9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.712 -1.794 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.013 -0.200 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.305 -1.373 -6.105 1.00 0.00 H new ATOM 1160 N ILE A 78 1.200 -1.054 -6.819 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.152 -1.603 -6.905 1.00 0.00 C ATOM 1162 C ILE A 78 -0.577 -1.822 -8.358 1.00 0.00 C ATOM 1163 O ILE A 78 0.030 -1.281 -9.286 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.175 -0.673 -6.217 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.005 0.776 -6.704 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.028 -0.751 -4.703 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.299 1.432 -7.135 1.00 0.00 C ATOM 0 H ILE A 78 1.259 -0.055 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.134 -2.564 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.178 -1.006 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.557 1.368 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.306 0.789 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.756 -0.090 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.201 -1.775 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.022 -0.444 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.098 2.451 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.739 0.865 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.994 1.453 -6.295 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.631 -2.618 -8.540 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.159 -2.917 -9.870 1.00 0.00 C ATOM 1181 C ALA A 79 -3.667 -2.675 -9.925 1.00 0.00 C ATOM 1182 O ALA A 79 -4.439 -3.343 -9.233 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.836 -4.352 -10.256 1.00 0.00 C ATOM 0 H ALA A 79 -2.138 -3.069 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.682 -2.247 -10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.235 -4.560 -11.249 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.755 -4.492 -10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.286 -5.033 -9.534 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.077 -1.710 -10.748 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.490 -1.367 -10.891 1.00 0.00 C ATOM 1191 C GLU A 80 -6.254 -2.458 -11.643 1.00 0.00 C ATOM 1192 O GLU A 80 -5.972 -2.733 -12.810 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.634 -0.028 -11.620 1.00 0.00 C ATOM 1194 CG GLU A 80 -7.069 0.469 -11.722 1.00 0.00 C ATOM 1195 CD GLU A 80 -7.468 1.334 -10.541 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -7.902 0.770 -9.515 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -7.341 2.573 -10.643 1.00 0.00 O ATOM 0 H GLU A 80 -3.449 -1.152 -11.326 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.919 -1.282 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.036 0.722 -11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.222 -0.126 -12.624 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.188 1.039 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.743 -0.385 -11.787 1.00 0.00 H new