USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 341 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 209 CYS SG : rot 51:sc= -1.75 USER MOD Set 1.2: A 220 CYS SG : rot 130:sc= 0.152 USER MOD Set 1.3: A 226 CYS SG : rot -162:sc= -6.43! USER MOD Set 1.4: A 229 HIS :FLIP no HD1:sc= -10.3! C(o=-22!,f=-19!) USER MOD Set 1.5: A 230 THR OG1 : rot 158:sc= 0.234 USER MOD Set 1.6: A 233 GLN :FLIP amide:sc= -0.418 F(o=-22!,f=-19) USER MOD Single : A 203 SER OG : rot 75:sc= 0.286 USER MOD Single : A 206 THR OG1 : rot 94:sc= 0.32 USER MOD Single : A 207 THR OG1 : rot 180:sc=-0.00441 USER MOD Single : A 208 GLN : amide:sc= -0.57! X(o=-0.57!,f=-0.38) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl 171:sc= -0.0267 (180deg=-0.262) USER MOD Single : A 221 THR OG1 : rot -26:sc= 0.518 USER MOD Single : A 223 SER OG : rot 180:sc= -0.153 USER MOD Single : A 228 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.468 -0.508 13.607 1.00 0.00 N ATOM 2 CA PRO A 198 50.610 0.276 12.365 1.00 0.00 C ATOM 3 C PRO A 198 51.470 1.553 12.499 1.00 0.00 C ATOM 4 O PRO A 198 52.127 1.960 11.537 1.00 0.00 O ATOM 5 CB PRO A 198 49.166 0.649 12.003 1.00 0.00 C ATOM 6 CG PRO A 198 48.361 0.348 13.223 1.00 0.00 C ATOM 7 CD PRO A 198 49.055 -0.778 13.907 1.00 0.00 C ATOM 0 HA PRO A 198 51.134 -0.310 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.089 1.702 11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 198 48.814 0.072 11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.298 1.220 13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.340 0.074 12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 198 48.861 -0.783 14.980 1.00 0.00 H new ATOM 0 HD3 PRO A 198 48.736 -1.746 13.521 1.00 0.00 H new ATOM 15 N GLU A 199 51.488 2.148 13.682 1.00 0.00 N ATOM 16 CA GLU A 199 52.212 3.395 13.915 1.00 0.00 C ATOM 17 C GLU A 199 53.719 3.192 13.887 1.00 0.00 C ATOM 18 O GLU A 199 54.431 3.812 13.096 1.00 0.00 O ATOM 19 CB GLU A 199 51.802 3.981 15.259 1.00 0.00 C ATOM 20 CG GLU A 199 50.360 4.426 15.319 1.00 0.00 C ATOM 21 CD GLU A 199 50.087 5.538 14.353 1.00 0.00 C ATOM 22 OE1 GLU A 199 50.420 6.689 14.661 1.00 0.00 O ATOM 23 OE2 GLU A 199 49.535 5.290 13.275 1.00 0.00 O ATOM 0 H GLU A 199 51.006 1.786 14.504 1.00 0.00 H new ATOM 0 HA GLU A 199 51.954 4.083 13.110 1.00 0.00 H new ATOM 0 HB2 GLU A 199 51.975 3.237 16.037 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.444 4.832 15.484 1.00 0.00 H new ATOM 0 HG2 GLU A 199 49.708 3.581 15.096 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.122 4.755 16.331 1.00 0.00 H new ATOM 30 N GLU A 200 54.197 2.306 14.714 1.00 0.00 N ATOM 31 CA GLU A 200 55.559 2.038 14.815 1.00 0.00 C ATOM 32 C GLU A 200 56.038 1.179 13.696 1.00 0.00 C ATOM 33 O GLU A 200 57.206 1.182 13.374 1.00 0.00 O ATOM 34 CB GLU A 200 55.872 1.430 16.142 1.00 0.00 C ATOM 35 CG GLU A 200 55.118 0.155 16.516 1.00 0.00 C ATOM 36 CD GLU A 200 53.798 0.398 17.210 1.00 0.00 C ATOM 37 OE1 GLU A 200 52.935 1.099 16.667 1.00 0.00 O ATOM 38 OE2 GLU A 200 53.600 -0.109 18.317 1.00 0.00 O ATOM 0 H GLU A 200 53.616 1.749 15.341 1.00 0.00 H new ATOM 0 HA GLU A 200 56.094 2.984 14.737 1.00 0.00 H new ATOM 0 HB2 GLU A 200 56.940 1.213 16.172 1.00 0.00 H new ATOM 0 HB3 GLU A 200 55.677 2.177 16.911 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.939 -0.426 15.612 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.751 -0.451 17.164 1.00 0.00 H new ATOM 45 N LEU A 201 55.146 0.432 13.127 1.00 0.00 N ATOM 46 CA LEU A 201 55.445 -0.337 11.946 1.00 0.00 C ATOM 47 C LEU A 201 55.819 0.592 10.798 1.00 0.00 C ATOM 48 O LEU A 201 56.763 0.337 10.048 1.00 0.00 O ATOM 49 CB LEU A 201 54.269 -1.220 11.575 1.00 0.00 C ATOM 50 CG LEU A 201 54.288 -1.727 10.172 1.00 0.00 C ATOM 51 CD1 LEU A 201 53.863 -3.155 10.121 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.364 -0.901 9.322 1.00 0.00 C ATOM 0 H LEU A 201 54.188 0.333 13.463 1.00 0.00 H new ATOM 0 HA LEU A 201 56.297 -0.985 12.152 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.243 -2.072 12.254 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.347 -0.659 11.732 1.00 0.00 H new ATOM 0 HG LEU A 201 55.307 -1.651 9.792 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.884 -3.504 9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.543 -3.759 10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 201 52.851 -3.248 10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.381 -1.274 8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.350 -0.968 9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.690 0.139 9.334 1.00 0.00 H new ATOM 64 N ARG A 202 55.034 1.630 10.643 1.00 0.00 N ATOM 65 CA ARG A 202 55.286 2.674 9.727 1.00 0.00 C ATOM 66 C ARG A 202 56.676 3.227 10.016 1.00 0.00 C ATOM 67 O ARG A 202 57.507 3.335 9.112 1.00 0.00 O ATOM 68 CB ARG A 202 54.239 3.762 9.947 1.00 0.00 C ATOM 69 CG ARG A 202 53.817 4.482 8.716 1.00 0.00 C ATOM 70 CD ARG A 202 54.970 5.068 7.973 1.00 0.00 C ATOM 71 NE ARG A 202 55.588 6.212 8.657 1.00 0.00 N ATOM 72 CZ ARG A 202 56.876 6.569 8.552 1.00 0.00 C ATOM 73 NH1 ARG A 202 57.714 5.862 7.811 1.00 0.00 N ATOM 74 NH2 ARG A 202 57.321 7.627 9.199 1.00 0.00 N ATOM 0 H ARG A 202 54.176 1.759 11.179 1.00 0.00 H new ATOM 0 HA ARG A 202 55.236 2.321 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.359 3.312 10.407 1.00 0.00 H new ATOM 0 HB3 ARG A 202 54.634 4.488 10.658 1.00 0.00 H new ATOM 0 HG2 ARG A 202 53.280 3.794 8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 202 53.120 5.276 8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 202 55.724 4.296 7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 202 54.633 5.384 6.986 1.00 0.00 H new ATOM 0 HE ARG A 202 54.991 6.779 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 202 57.382 5.036 7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 202 58.692 6.143 7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 202 56.686 8.174 9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 202 58.301 7.899 9.119 1.00 0.00 H new ATOM 88 N SER A 203 56.929 3.529 11.287 1.00 0.00 N ATOM 89 CA SER A 203 58.212 4.048 11.706 1.00 0.00 C ATOM 90 C SER A 203 59.338 3.052 11.392 1.00 0.00 C ATOM 91 O SER A 203 60.445 3.460 11.022 1.00 0.00 O ATOM 92 CB SER A 203 58.171 4.393 13.190 1.00 0.00 C ATOM 93 OG SER A 203 57.107 5.296 13.444 1.00 0.00 O ATOM 0 H SER A 203 56.253 3.420 12.043 1.00 0.00 H new ATOM 0 HA SER A 203 58.423 4.959 11.147 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.039 3.486 13.780 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.118 4.837 13.496 1.00 0.00 H new ATOM 0 HG SER A 203 56.254 4.814 13.412 1.00 0.00 H new ATOM 99 N LEU A 204 59.029 1.755 11.507 1.00 0.00 N ATOM 100 CA LEU A 204 59.949 0.678 11.200 1.00 0.00 C ATOM 101 C LEU A 204 60.404 0.801 9.764 1.00 0.00 C ATOM 102 O LEU A 204 61.579 0.998 9.516 1.00 0.00 O ATOM 103 CB LEU A 204 59.276 -0.702 11.445 1.00 0.00 C ATOM 104 CG LEU A 204 60.189 -1.944 11.331 1.00 0.00 C ATOM 105 CD1 LEU A 204 59.749 -3.019 12.273 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.175 -2.520 9.921 1.00 0.00 C ATOM 0 H LEU A 204 58.115 1.430 11.822 1.00 0.00 H new ATOM 0 HA LEU A 204 60.816 0.749 11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 204 58.834 -0.694 12.441 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.458 -0.814 10.734 1.00 0.00 H new ATOM 0 HG LEU A 204 61.197 -1.613 11.581 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.407 -3.882 12.173 1.00 0.00 H new ATOM 0 HD12 LEU A 204 59.792 -2.646 13.296 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.727 -3.314 12.037 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.828 -3.392 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.159 -2.814 9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.528 -1.767 9.217 1.00 0.00 H new ATOM 118 N LEU A 205 59.443 0.777 8.840 1.00 0.00 N ATOM 119 CA LEU A 205 59.681 0.847 7.393 1.00 0.00 C ATOM 120 C LEU A 205 60.533 2.048 6.917 1.00 0.00 C ATOM 121 O LEU A 205 60.923 2.096 5.753 1.00 0.00 O ATOM 122 CB LEU A 205 58.354 0.762 6.607 1.00 0.00 C ATOM 123 CG LEU A 205 57.922 -0.633 6.084 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.941 -1.142 5.116 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.754 -1.638 7.194 1.00 0.00 C ATOM 0 H LEU A 205 58.454 0.707 9.080 1.00 0.00 H new ATOM 0 HA LEU A 205 60.293 -0.028 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.558 1.143 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.425 1.435 5.752 1.00 0.00 H new ATOM 0 HG LEU A 205 56.954 -0.510 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.637 -2.122 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 205 59.024 -0.450 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.907 -1.225 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.451 -2.597 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.699 -1.756 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.990 -1.289 7.889 1.00 0.00 H new ATOM 137 N THR A 206 60.791 3.002 7.787 1.00 0.00 N ATOM 138 CA THR A 206 61.662 4.096 7.496 1.00 0.00 C ATOM 139 C THR A 206 63.112 3.600 7.346 1.00 0.00 C ATOM 140 O THR A 206 63.783 3.875 6.348 1.00 0.00 O ATOM 141 CB THR A 206 61.597 5.112 8.647 1.00 0.00 C ATOM 142 OG1 THR A 206 60.255 5.582 8.815 1.00 0.00 O ATOM 143 CG2 THR A 206 62.534 6.270 8.412 1.00 0.00 C ATOM 0 H THR A 206 60.391 3.030 8.725 1.00 0.00 H new ATOM 0 HA THR A 206 61.346 4.562 6.563 1.00 0.00 H new ATOM 0 HB THR A 206 61.914 4.608 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.803 5.044 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 206 62.463 6.970 9.245 1.00 0.00 H new ATOM 0 HG22 THR A 206 63.557 5.901 8.334 1.00 0.00 H new ATOM 0 HG23 THR A 206 62.260 6.778 7.487 1.00 0.00 H new ATOM 151 N THR A 207 63.568 2.856 8.322 1.00 0.00 N ATOM 152 CA THR A 207 64.940 2.401 8.358 1.00 0.00 C ATOM 153 C THR A 207 65.034 0.928 8.240 1.00 0.00 C ATOM 154 O THR A 207 65.995 0.381 7.698 1.00 0.00 O ATOM 155 CB THR A 207 65.561 2.784 9.684 1.00 0.00 C ATOM 156 OG1 THR A 207 64.664 2.461 10.770 1.00 0.00 O ATOM 157 CG2 THR A 207 65.872 4.214 9.714 1.00 0.00 C ATOM 0 H THR A 207 63.003 2.548 9.113 1.00 0.00 H new ATOM 0 HA THR A 207 65.457 2.866 7.518 1.00 0.00 H new ATOM 0 HB THR A 207 66.486 2.219 9.802 1.00 0.00 H new ATOM 0 HG1 THR A 207 65.078 2.712 11.622 1.00 0.00 H new ATOM 0 HG21 THR A 207 66.318 4.469 10.675 1.00 0.00 H new ATOM 0 HG22 THR A 207 66.574 4.451 8.914 1.00 0.00 H new ATOM 0 HG23 THR A 207 64.956 4.789 9.574 1.00 0.00 H new ATOM 165 N GLN A 208 64.034 0.295 8.709 1.00 0.00 N ATOM 166 CA GLN A 208 64.027 -1.083 8.826 1.00 0.00 C ATOM 167 C GLN A 208 63.369 -1.697 7.619 1.00 0.00 C ATOM 168 O GLN A 208 62.262 -1.314 7.259 1.00 0.00 O ATOM 169 CB GLN A 208 63.361 -1.468 10.148 1.00 0.00 C ATOM 170 CG GLN A 208 64.200 -1.067 11.343 1.00 0.00 C ATOM 171 CD GLN A 208 65.385 -1.971 11.501 1.00 0.00 C ATOM 172 OE1 GLN A 208 66.461 -1.547 11.898 1.00 0.00 O ATOM 173 NE2 GLN A 208 65.164 -3.232 11.301 1.00 0.00 N ATOM 0 H GLN A 208 63.177 0.746 9.029 1.00 0.00 H new ATOM 0 HA GLN A 208 65.043 -1.478 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.384 -0.990 10.214 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.192 -2.545 10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.538 -0.038 11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.591 -1.100 12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 208 64.251 -3.543 10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 208 65.903 -3.913 11.476 1.00 0.00 H new ATOM 182 N CYS A 209 64.120 -2.586 6.969 1.00 0.00 N ATOM 183 CA CYS A 209 63.728 -3.326 5.769 1.00 0.00 C ATOM 184 C CYS A 209 62.284 -3.802 5.932 1.00 0.00 C ATOM 185 O CYS A 209 61.392 -3.197 5.425 1.00 0.00 O ATOM 186 CB CYS A 209 64.720 -4.528 5.573 1.00 0.00 C ATOM 187 SG CYS A 209 65.187 -5.001 3.869 1.00 0.00 S ATOM 0 H CYS A 209 65.063 -2.821 7.279 1.00 0.00 H new ATOM 0 HA CYS A 209 63.778 -2.695 4.882 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.636 -4.294 6.116 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.280 -5.403 6.052 1.00 0.00 H new ATOM 0 HG CYS A 209 65.593 -3.949 3.222 1.00 0.00 H new ATOM 192 N GLY A 210 62.049 -4.841 6.656 1.00 0.00 N ATOM 193 CA GLY A 210 60.690 -5.233 6.874 1.00 0.00 C ATOM 194 C GLY A 210 60.053 -5.830 5.645 1.00 0.00 C ATOM 195 O GLY A 210 58.865 -5.982 5.576 1.00 0.00 O ATOM 0 H GLY A 210 62.757 -5.426 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.651 -5.958 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.112 -4.365 7.193 1.00 0.00 H new ATOM 199 N VAL A 211 60.873 -6.181 4.674 1.00 0.00 N ATOM 200 CA VAL A 211 60.390 -6.770 3.464 1.00 0.00 C ATOM 201 C VAL A 211 59.997 -8.200 3.723 1.00 0.00 C ATOM 202 O VAL A 211 60.761 -8.952 4.329 1.00 0.00 O ATOM 203 CB VAL A 211 61.457 -6.625 2.378 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.771 -7.059 2.822 1.00 0.00 C ATOM 205 CG2 VAL A 211 61.073 -7.196 1.033 1.00 0.00 C ATOM 0 H VAL A 211 61.885 -6.062 4.711 1.00 0.00 H new ATOM 0 HA VAL A 211 59.496 -6.258 3.108 1.00 0.00 H new ATOM 0 HB VAL A 211 61.523 -5.551 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.489 -6.934 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.082 -6.460 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.729 -8.109 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.891 -7.047 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.871 -8.262 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.180 -6.691 0.665 1.00 0.00 H new ATOM 215 N ILE A 212 58.818 -8.546 3.318 1.00 0.00 N ATOM 216 CA ILE A 212 58.255 -9.810 3.653 1.00 0.00 C ATOM 217 C ILE A 212 58.615 -10.845 2.626 1.00 0.00 C ATOM 218 O ILE A 212 58.306 -10.704 1.444 1.00 0.00 O ATOM 219 CB ILE A 212 56.722 -9.732 3.761 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.317 -8.578 4.682 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.208 -11.051 4.326 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.846 -8.232 4.636 1.00 0.00 C ATOM 0 H ILE A 212 58.217 -7.956 2.743 1.00 0.00 H new ATOM 0 HA ILE A 212 58.667 -10.094 4.621 1.00 0.00 H new ATOM 0 HB ILE A 212 56.291 -9.555 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.586 -8.835 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.895 -7.694 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.122 -11.013 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.492 -11.867 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.642 -11.218 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.645 -7.405 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.572 -7.941 3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.259 -9.100 4.936 1.00 0.00 H new ATOM 313 N LYS A 218 58.652 -13.552 7.299 1.00 0.00 N ATOM 314 CA LYS A 218 58.082 -12.424 7.964 1.00 0.00 C ATOM 315 C LYS A 218 58.723 -11.206 7.340 1.00 0.00 C ATOM 316 O LYS A 218 59.252 -11.303 6.217 1.00 0.00 O ATOM 317 CB LYS A 218 58.346 -12.429 9.477 1.00 0.00 C ATOM 318 CG LYS A 218 59.808 -12.384 9.910 1.00 0.00 C ATOM 319 CD LYS A 218 59.900 -12.064 11.387 1.00 0.00 C ATOM 320 CE LYS A 218 61.333 -12.053 11.884 1.00 0.00 C ATOM 321 NZ LYS A 218 61.424 -11.688 13.316 1.00 0.00 N ATOM 0 HA LYS A 218 56.998 -12.438 7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.833 -11.573 9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.892 -13.325 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 218 60.286 -13.342 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 218 60.344 -11.631 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 218 59.445 -11.092 11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 218 59.327 -12.799 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 218 61.776 -13.037 11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 218 61.916 -11.347 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 62.421 -11.693 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 61.025 -10.738 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 60.890 -12.376 13.884 1.00 0.00 H new ATOM 335 N MET A 219 58.696 -10.100 8.045 1.00 0.00 N ATOM 336 CA MET A 219 59.290 -8.866 7.592 1.00 0.00 C ATOM 337 C MET A 219 60.783 -8.906 7.892 1.00 0.00 C ATOM 338 O MET A 219 61.190 -9.359 8.964 1.00 0.00 O ATOM 339 CB MET A 219 58.643 -7.699 8.327 1.00 0.00 C ATOM 340 CG MET A 219 57.194 -7.561 8.116 1.00 0.00 C ATOM 341 SD MET A 219 56.452 -6.569 9.423 1.00 0.00 S ATOM 342 CE MET A 219 57.360 -5.027 9.266 1.00 0.00 C ATOM 0 H MET A 219 58.255 -10.032 8.962 1.00 0.00 H new ATOM 0 HA MET A 219 59.135 -8.741 6.520 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.831 -7.812 9.395 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.131 -6.776 8.014 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.005 -7.096 7.148 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.729 -8.547 8.093 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.902 -4.269 9.901 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.394 -5.181 9.574 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.336 -4.695 8.228 1.00 0.00 H new ATOM 352 N CYS A 220 61.587 -8.451 6.949 1.00 0.00 N ATOM 353 CA CYS A 220 63.047 -8.480 7.084 1.00 0.00 C ATOM 354 C CYS A 220 63.544 -7.516 8.212 1.00 0.00 C ATOM 355 O CYS A 220 62.884 -6.555 8.507 1.00 0.00 O ATOM 356 CB CYS A 220 63.649 -8.129 5.749 1.00 0.00 C ATOM 357 SG CYS A 220 65.396 -8.209 5.716 1.00 0.00 S ATOM 0 H CYS A 220 61.258 -8.052 6.070 1.00 0.00 H new ATOM 0 HA CYS A 220 63.367 -9.479 7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.250 -8.805 4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.336 -7.122 5.474 1.00 0.00 H new ATOM 0 HG CYS A 220 65.779 -8.915 4.694 1.00 0.00 H new ATOM 362 N THR A 221 64.728 -7.740 8.782 1.00 0.00 N ATOM 363 CA THR A 221 65.121 -6.957 9.972 1.00 0.00 C ATOM 364 C THR A 221 66.409 -6.038 9.827 1.00 0.00 C ATOM 365 O THR A 221 66.736 -5.292 10.741 1.00 0.00 O ATOM 366 CB THR A 221 65.217 -7.904 11.189 1.00 0.00 C ATOM 367 OG1 THR A 221 65.534 -7.202 12.402 1.00 0.00 O ATOM 368 CG2 THR A 221 66.236 -8.961 10.902 1.00 0.00 C ATOM 0 H THR A 221 65.412 -8.425 8.462 1.00 0.00 H new ATOM 0 HA THR A 221 64.330 -6.221 10.114 1.00 0.00 H new ATOM 0 HB THR A 221 64.241 -8.363 11.346 1.00 0.00 H new ATOM 0 HG1 THR A 221 66.020 -6.379 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 221 66.311 -9.635 11.755 1.00 0.00 H new ATOM 0 HG22 THR A 221 65.936 -9.526 10.019 1.00 0.00 H new ATOM 0 HG23 THR A 221 67.204 -8.494 10.722 1.00 0.00 H new ATOM 376 N ARG A 222 67.164 -6.107 8.739 1.00 0.00 N ATOM 377 CA ARG A 222 68.228 -5.088 8.555 1.00 0.00 C ATOM 378 C ARG A 222 67.638 -3.833 7.902 1.00 0.00 C ATOM 379 O ARG A 222 66.418 -3.711 7.835 1.00 0.00 O ATOM 380 CB ARG A 222 69.404 -5.644 7.750 1.00 0.00 C ATOM 381 CG ARG A 222 70.150 -6.756 8.490 1.00 0.00 C ATOM 382 CD ARG A 222 71.385 -7.239 7.737 1.00 0.00 C ATOM 383 NE ARG A 222 72.088 -8.327 8.453 1.00 0.00 N ATOM 384 CZ ARG A 222 73.357 -8.718 8.221 1.00 0.00 C ATOM 385 NH1 ARG A 222 74.080 -8.146 7.270 1.00 0.00 N ATOM 386 NH2 ARG A 222 73.892 -9.697 8.939 1.00 0.00 N ATOM 0 H ARG A 222 67.082 -6.807 8.002 1.00 0.00 H new ATOM 0 HA ARG A 222 68.621 -4.815 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 222 69.038 -6.028 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 222 70.098 -4.835 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.448 -6.395 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.475 -7.597 8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 222 71.091 -7.589 6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 222 72.068 -6.403 7.590 1.00 0.00 H new ATOM 0 HE ARG A 222 71.571 -8.821 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 222 73.678 -7.400 6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 222 75.039 -8.452 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 222 73.343 -10.154 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 222 74.852 -9.992 8.763 1.00 0.00 H new ATOM 400 N SER A 223 68.474 -2.916 7.434 1.00 0.00 N ATOM 401 CA SER A 223 68.009 -1.688 6.758 1.00 0.00 C ATOM 402 C SER A 223 67.251 -2.039 5.462 1.00 0.00 C ATOM 403 O SER A 223 67.232 -3.178 5.061 1.00 0.00 O ATOM 404 CB SER A 223 69.199 -0.757 6.467 1.00 0.00 C ATOM 405 OG SER A 223 68.790 0.426 5.785 1.00 0.00 O ATOM 0 H SER A 223 69.489 -2.991 7.506 1.00 0.00 H new ATOM 0 HA SER A 223 67.319 -1.163 7.419 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.687 -0.487 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.937 -1.287 5.865 1.00 0.00 H new ATOM 0 HG SER A 223 69.571 0.994 5.618 1.00 0.00 H new ATOM 411 N LEU A 224 66.634 -1.083 4.813 1.00 0.00 N ATOM 412 CA LEU A 224 65.852 -1.353 3.602 1.00 0.00 C ATOM 413 C LEU A 224 66.743 -1.897 2.515 1.00 0.00 C ATOM 414 O LEU A 224 66.457 -2.939 1.918 1.00 0.00 O ATOM 415 CB LEU A 224 65.189 -0.118 3.101 1.00 0.00 C ATOM 416 CG LEU A 224 64.899 1.002 4.069 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.379 2.144 3.295 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.840 0.570 5.056 1.00 0.00 C ATOM 0 H LEU A 224 66.650 -0.102 5.094 1.00 0.00 H new ATOM 0 HA LEU A 224 65.089 -2.086 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 224 65.811 0.289 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 224 64.243 -0.414 2.647 1.00 0.00 H new ATOM 0 HG LEU A 224 65.807 1.269 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.160 2.971 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.125 2.459 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 224 63.467 1.847 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.637 1.385 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 224 62.926 0.314 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 224 64.192 -0.300 5.610 1.00 0.00 H new ATOM 430 N ARG A 225 67.865 -1.255 2.358 1.00 0.00 N ATOM 431 CA ARG A 225 68.867 -1.595 1.358 1.00 0.00 C ATOM 432 C ARG A 225 69.775 -2.742 1.802 1.00 0.00 C ATOM 433 O ARG A 225 70.830 -2.965 1.235 1.00 0.00 O ATOM 434 CB ARG A 225 69.662 -0.348 0.999 1.00 0.00 C ATOM 435 CG ARG A 225 70.205 0.438 2.176 1.00 0.00 C ATOM 436 CD ARG A 225 71.338 -0.250 2.904 1.00 0.00 C ATOM 437 NE ARG A 225 71.900 0.589 3.955 1.00 0.00 N ATOM 438 CZ ARG A 225 73.104 0.427 4.509 1.00 0.00 C ATOM 439 NH1 ARG A 225 73.886 -0.588 4.147 1.00 0.00 N ATOM 440 NH2 ARG A 225 73.519 1.273 5.434 1.00 0.00 N ATOM 0 H ARG A 225 68.127 -0.455 2.934 1.00 0.00 H new ATOM 0 HA ARG A 225 68.353 -1.958 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.497 -0.641 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 225 69.026 0.310 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 225 70.550 1.410 1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 225 69.394 0.625 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 225 70.977 -1.182 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.120 -0.512 2.192 1.00 0.00 H new ATOM 0 HE ARG A 225 71.328 1.362 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 225 73.567 -1.251 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 225 74.804 -0.703 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 225 72.920 2.047 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 225 74.438 1.153 5.860 1.00 0.00 H new ATOM 454 N CYS A 226 69.336 -3.427 2.836 1.00 0.00 N ATOM 455 CA CYS A 226 69.995 -4.565 3.434 1.00 0.00 C ATOM 456 C CYS A 226 70.726 -5.542 2.447 1.00 0.00 C ATOM 457 O CYS A 226 71.943 -5.654 2.511 1.00 0.00 O ATOM 458 CB CYS A 226 68.942 -5.201 4.321 1.00 0.00 C ATOM 459 SG CYS A 226 68.577 -6.913 4.227 1.00 0.00 S ATOM 0 H CYS A 226 68.462 -3.191 3.306 1.00 0.00 H new ATOM 0 HA CYS A 226 70.861 -4.244 4.013 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.230 -4.995 5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 226 68.009 -4.668 4.138 1.00 0.00 H new ATOM 0 HG CYS A 226 67.425 -7.142 4.784 1.00 0.00 H new ATOM 464 N PRO A 227 70.029 -6.206 1.515 1.00 0.00 N ATOM 465 CA PRO A 227 70.616 -7.221 0.647 1.00 0.00 C ATOM 466 C PRO A 227 70.532 -6.820 -0.856 1.00 0.00 C ATOM 467 O PRO A 227 71.394 -6.119 -1.374 1.00 0.00 O ATOM 468 CB PRO A 227 69.626 -8.349 0.939 1.00 0.00 C ATOM 469 CG PRO A 227 68.342 -7.594 1.250 1.00 0.00 C ATOM 470 CD PRO A 227 68.650 -6.129 1.227 1.00 0.00 C ATOM 0 HA PRO A 227 71.673 -7.427 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.507 -9.015 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.948 -8.963 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.572 -7.833 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.955 -7.887 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.444 -5.667 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.091 -5.566 1.975 1.00 0.00 H new ATOM 478 N GLN A 228 69.465 -7.278 -1.518 1.00 0.00 N ATOM 479 CA GLN A 228 69.131 -6.901 -2.834 1.00 0.00 C ATOM 480 C GLN A 228 67.611 -6.677 -2.828 1.00 0.00 C ATOM 481 O GLN A 228 66.934 -6.741 -3.843 1.00 0.00 O ATOM 482 CB GLN A 228 69.535 -7.996 -3.797 1.00 0.00 C ATOM 483 CG GLN A 228 69.484 -7.578 -5.242 1.00 0.00 C ATOM 484 CD GLN A 228 69.866 -8.680 -6.165 1.00 0.00 C ATOM 485 OE1 GLN A 228 70.660 -9.557 -5.825 1.00 0.00 O ATOM 486 NE2 GLN A 228 69.330 -8.651 -7.332 1.00 0.00 N ATOM 0 H GLN A 228 68.808 -7.943 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 228 69.649 -5.998 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.547 -8.323 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.880 -8.855 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.477 -7.238 -5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 228 70.152 -6.731 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 228 68.676 -7.907 -7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 228 69.558 -9.372 -8.016 1.00 0.00 H new ATOM 495 N HIS A 229 67.087 -6.466 -1.613 1.00 0.00 N ATOM 496 CA HIS A 229 65.727 -6.088 -1.405 1.00 0.00 C ATOM 497 C HIS A 229 65.545 -4.700 -1.989 1.00 0.00 C ATOM 498 O HIS A 229 65.942 -3.699 -1.404 1.00 0.00 O ATOM 499 CB HIS A 229 65.297 -6.145 0.092 1.00 0.00 C ATOM 500 CG HIS A 229 65.139 -7.586 0.694 1.00 0.00 C ATOM 501 ND1 HIS A 229 64.426 -8.574 0.137 1.00 0.00 N flip ATOM 502 CD2 HIS A 229 65.533 -8.062 2.060 1.00 0.00 C flip ATOM 503 CE1 HIS A 229 64.325 -9.583 1.040 1.00 0.00 C flip ATOM 504 NE2 HIS A 229 64.969 -9.219 2.148 1.00 0.00 N flip ATOM 0 H HIS A 229 67.623 -6.560 -0.750 1.00 0.00 H new ATOM 0 HA HIS A 229 65.076 -6.804 -1.907 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.033 -5.601 0.684 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.349 -5.619 0.200 1.00 0.00 H new ATOM 0 HD2 HIS A 229 66.143 -7.557 2.795 1.00 0.00 H new ATOM 0 HE1 HIS A 229 63.811 -10.520 0.886 1.00 0.00 H new ATOM 0 HE2 HIS A 229 65.012 -9.799 2.986 1.00 0.00 H new ATOM 512 N THR A 230 64.952 -4.702 -3.131 1.00 0.00 N ATOM 513 CA THR A 230 64.834 -3.561 -4.032 1.00 0.00 C ATOM 514 C THR A 230 63.761 -2.616 -3.583 1.00 0.00 C ATOM 515 O THR A 230 62.975 -2.948 -2.711 1.00 0.00 O ATOM 516 CB THR A 230 64.477 -4.045 -5.473 1.00 0.00 C ATOM 517 OG1 THR A 230 63.208 -4.742 -5.462 1.00 0.00 O ATOM 518 CG2 THR A 230 65.529 -4.988 -6.006 1.00 0.00 C ATOM 0 H THR A 230 64.503 -5.539 -3.502 1.00 0.00 H new ATOM 0 HA THR A 230 65.795 -3.047 -4.026 1.00 0.00 H new ATOM 0 HB THR A 230 64.423 -3.164 -6.112 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.822 -4.734 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.254 -5.309 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.492 -4.478 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.601 -5.859 -5.354 1.00 0.00 H new ATOM 526 N ASP A 231 63.683 -1.468 -4.235 1.00 0.00 N ATOM 527 CA ASP A 231 62.654 -0.457 -3.952 1.00 0.00 C ATOM 528 C ASP A 231 61.257 -1.019 -4.131 1.00 0.00 C ATOM 529 O ASP A 231 60.357 -0.622 -3.457 1.00 0.00 O ATOM 530 CB ASP A 231 62.827 0.749 -4.851 1.00 0.00 C ATOM 531 CG ASP A 231 61.752 1.807 -4.653 1.00 0.00 C ATOM 532 OD1 ASP A 231 61.812 2.566 -3.663 1.00 0.00 O ATOM 533 OD2 ASP A 231 60.839 1.907 -5.499 1.00 0.00 O ATOM 0 H ASP A 231 64.328 -1.202 -4.979 1.00 0.00 H new ATOM 0 HA ASP A 231 62.777 -0.156 -2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 231 63.804 1.195 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 231 62.818 0.422 -5.891 1.00 0.00 H new ATOM 538 N GLU A 232 61.123 -1.992 -5.005 1.00 0.00 N ATOM 539 CA GLU A 232 59.829 -2.646 -5.278 1.00 0.00 C ATOM 540 C GLU A 232 59.453 -3.457 -4.045 1.00 0.00 C ATOM 541 O GLU A 232 58.320 -3.464 -3.579 1.00 0.00 O ATOM 542 CB GLU A 232 59.999 -3.591 -6.459 1.00 0.00 C ATOM 543 CG GLU A 232 60.646 -2.953 -7.671 1.00 0.00 C ATOM 544 CD GLU A 232 61.136 -3.979 -8.649 1.00 0.00 C ATOM 545 OE1 GLU A 232 62.066 -4.743 -8.292 1.00 0.00 O ATOM 546 OE2 GLU A 232 60.647 -4.022 -9.802 1.00 0.00 O ATOM 0 H GLU A 232 61.898 -2.364 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 232 59.059 -1.909 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.601 -4.444 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.021 -3.979 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 232 59.928 -2.297 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.480 -2.329 -7.351 1.00 0.00 H new ATOM 553 N GLN A 233 60.457 -4.084 -3.506 1.00 0.00 N ATOM 554 CA GLN A 233 60.374 -4.874 -2.312 1.00 0.00 C ATOM 555 C GLN A 233 60.119 -3.991 -1.099 1.00 0.00 C ATOM 556 O GLN A 233 59.499 -4.390 -0.113 1.00 0.00 O ATOM 557 CB GLN A 233 61.641 -5.695 -2.178 1.00 0.00 C ATOM 558 CG GLN A 233 61.723 -6.760 -3.247 1.00 0.00 C ATOM 559 CD GLN A 233 62.903 -7.663 -3.119 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.927 -7.343 -3.834 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.861 -8.679 -2.435 1.00 0.00 N flip ATOM 0 H GLN A 233 61.396 -4.058 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 233 59.529 -5.560 -2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.510 -5.040 -2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.671 -6.162 -1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.814 -7.361 -3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.753 -6.277 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 233 62.028 -8.890 -1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.659 -9.314 -2.415 1.00 0.00 H new ATOM 570 N ARG A 234 60.638 -2.812 -1.168 1.00 0.00 N ATOM 571 CA ARG A 234 60.469 -1.830 -0.136 1.00 0.00 C ATOM 572 C ARG A 234 59.106 -1.160 -0.257 1.00 0.00 C ATOM 573 O ARG A 234 58.495 -0.760 0.732 1.00 0.00 O ATOM 574 CB ARG A 234 61.628 -0.823 -0.210 1.00 0.00 C ATOM 575 CG ARG A 234 63.015 -1.492 -0.172 1.00 0.00 C ATOM 576 CD ARG A 234 63.370 -1.872 1.188 1.00 0.00 C ATOM 577 NE ARG A 234 62.539 -2.878 1.704 1.00 0.00 N ATOM 578 CZ ARG A 234 61.600 -2.644 2.620 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.644 -1.511 3.334 1.00 0.00 N ATOM 580 NH2 ARG A 234 60.584 -3.498 2.780 1.00 0.00 N ATOM 0 H ARG A 234 61.203 -2.492 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 234 60.495 -2.305 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.537 -0.241 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.546 -0.123 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 234 63.016 -2.374 -0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.764 -0.808 -0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 234 64.404 -2.216 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.314 -0.995 1.832 1.00 0.00 H new ATOM 0 HE ARG A 234 62.659 -3.832 1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 234 62.392 -0.836 3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.929 -1.323 4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 234 60.524 -4.334 2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 234 59.868 -3.313 3.483 1.00 0.00 H new ATOM 594 N ARG A 235 58.634 -1.123 -1.466 1.00 0.00 N ATOM 595 CA ARG A 235 57.377 -0.506 -1.844 1.00 0.00 C ATOM 596 C ARG A 235 56.211 -1.364 -1.371 1.00 0.00 C ATOM 597 O ARG A 235 55.366 -0.920 -0.577 1.00 0.00 O ATOM 598 CB ARG A 235 57.328 -0.431 -3.381 1.00 0.00 C ATOM 599 CG ARG A 235 56.181 0.349 -3.974 1.00 0.00 C ATOM 600 CD ARG A 235 56.389 1.827 -3.789 1.00 0.00 C ATOM 601 NE ARG A 235 57.622 2.300 -4.462 1.00 0.00 N ATOM 602 CZ ARG A 235 57.662 3.124 -5.522 1.00 0.00 C ATOM 603 NH1 ARG A 235 56.555 3.421 -6.184 1.00 0.00 N ATOM 604 NH2 ARG A 235 58.824 3.563 -5.978 1.00 0.00 N ATOM 0 H ARG A 235 59.127 -1.537 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 235 57.304 0.484 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.260 0.011 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.290 -1.448 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 235 56.090 0.120 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.247 0.047 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.529 2.367 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.446 2.055 -2.725 1.00 0.00 H new ATOM 0 HE ARG A 235 58.513 1.973 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 235 55.663 3.023 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 235 56.594 4.048 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 235 59.691 3.276 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 235 58.852 4.189 -6.783 1.00 0.00 H new ATOM 618 N THR A 236 56.238 -2.610 -1.817 1.00 0.00 N ATOM 619 CA THR A 236 55.175 -3.575 -1.642 1.00 0.00 C ATOM 620 C THR A 236 54.718 -3.724 -0.180 1.00 0.00 C ATOM 621 O THR A 236 53.533 -3.792 0.093 1.00 0.00 O ATOM 622 CB THR A 236 55.584 -4.954 -2.264 1.00 0.00 C ATOM 623 OG1 THR A 236 54.453 -5.823 -2.363 1.00 0.00 O ATOM 624 CG2 THR A 236 56.659 -5.639 -1.437 1.00 0.00 C ATOM 0 H THR A 236 57.035 -2.987 -2.331 1.00 0.00 H new ATOM 0 HA THR A 236 54.307 -3.191 -2.178 1.00 0.00 H new ATOM 0 HB THR A 236 55.978 -4.750 -3.260 1.00 0.00 H new ATOM 0 HG1 THR A 236 54.730 -6.677 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.919 -6.593 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.544 -5.004 -1.393 1.00 0.00 H new ATOM 0 HG23 THR A 236 56.286 -5.812 -0.428 1.00 0.00 H new ATOM 632 N VAL A 237 55.652 -3.679 0.736 1.00 0.00 N ATOM 633 CA VAL A 237 55.365 -3.906 2.127 1.00 0.00 C ATOM 634 C VAL A 237 54.693 -2.708 2.794 1.00 0.00 C ATOM 635 O VAL A 237 53.792 -2.871 3.611 1.00 0.00 O ATOM 636 CB VAL A 237 56.641 -4.355 2.868 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.466 -4.370 4.363 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.030 -5.727 2.381 1.00 0.00 C ATOM 0 H VAL A 237 56.633 -3.484 0.537 1.00 0.00 H new ATOM 0 HA VAL A 237 54.637 -4.714 2.189 1.00 0.00 H new ATOM 0 HB VAL A 237 57.428 -3.633 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.394 -4.693 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 237 56.213 -3.368 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.665 -5.059 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.932 -6.055 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.220 -6.428 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.220 -5.692 1.308 1.00 0.00 H new ATOM 648 N ARG A 238 55.062 -1.527 2.386 1.00 0.00 N ATOM 649 CA ARG A 238 54.495 -0.319 2.966 1.00 0.00 C ATOM 650 C ARG A 238 53.117 -0.161 2.412 1.00 0.00 C ATOM 651 O ARG A 238 52.182 0.178 3.104 1.00 0.00 O ATOM 652 CB ARG A 238 55.341 0.889 2.600 1.00 0.00 C ATOM 653 CG ARG A 238 56.660 1.005 3.328 1.00 0.00 C ATOM 654 CD ARG A 238 57.627 1.803 2.499 1.00 0.00 C ATOM 655 NE ARG A 238 58.850 2.224 3.197 1.00 0.00 N ATOM 656 CZ ARG A 238 59.931 2.733 2.574 1.00 0.00 C ATOM 657 NH1 ARG A 238 59.947 2.847 1.251 1.00 0.00 N ATOM 658 NH2 ARG A 238 60.985 3.116 3.274 1.00 0.00 N ATOM 0 H ARG A 238 55.753 -1.363 1.654 1.00 0.00 H new ATOM 0 HA ARG A 238 54.469 -0.395 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.539 0.861 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.759 1.790 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.512 1.486 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.067 0.013 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.910 1.211 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 238 57.116 2.691 2.127 1.00 0.00 H new ATOM 0 HE ARG A 238 58.882 2.125 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 238 59.140 2.549 0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 238 60.767 3.233 0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.982 3.027 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 238 61.801 3.501 2.798 1.00 0.00 H new ATOM 672 N VAL A 239 53.016 -0.476 1.163 1.00 0.00 N ATOM 673 CA VAL A 239 51.812 -0.429 0.443 1.00 0.00 C ATOM 674 C VAL A 239 50.801 -1.447 1.011 1.00 0.00 C ATOM 675 O VAL A 239 49.631 -1.128 1.215 1.00 0.00 O ATOM 676 CB VAL A 239 52.154 -0.637 -1.049 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.107 -1.379 -1.773 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.402 0.701 -1.706 1.00 0.00 C ATOM 0 H VAL A 239 53.811 -0.785 0.604 1.00 0.00 H new ATOM 0 HA VAL A 239 51.317 0.537 0.542 1.00 0.00 H new ATOM 0 HB VAL A 239 53.058 -1.245 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.400 -1.496 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.978 -2.362 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.168 -0.829 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 239 52.643 0.551 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.507 1.318 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.235 1.201 -1.211 1.00 0.00 H new ATOM 688 N TYR A 240 51.282 -2.629 1.304 1.00 0.00 N ATOM 689 CA TYR A 240 50.488 -3.670 1.920 1.00 0.00 C ATOM 690 C TYR A 240 50.060 -3.288 3.354 1.00 0.00 C ATOM 691 O TYR A 240 48.877 -3.338 3.691 1.00 0.00 O ATOM 692 CB TYR A 240 51.301 -4.979 1.924 1.00 0.00 C ATOM 693 CG TYR A 240 50.731 -6.073 2.788 1.00 0.00 C ATOM 694 CD1 TYR A 240 49.642 -6.828 2.386 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.289 -6.337 4.027 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.122 -7.809 3.208 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.783 -7.307 4.844 1.00 0.00 C ATOM 698 CZ TYR A 240 49.700 -8.042 4.437 1.00 0.00 C ATOM 699 OH TYR A 240 49.183 -9.009 5.270 1.00 0.00 O ATOM 0 H TYR A 240 52.248 -2.902 1.120 1.00 0.00 H new ATOM 0 HA TYR A 240 49.574 -3.804 1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.377 -5.346 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.314 -4.760 2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.194 -6.648 1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.143 -5.763 4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 240 48.269 -8.389 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.234 -7.494 5.807 1.00 0.00 H new ATOM 0 HH TYR A 240 49.709 -9.045 6.096 1.00 0.00 H new ATOM 709 N PHE A 241 51.021 -2.901 4.171 1.00 0.00 N ATOM 710 CA PHE A 241 50.777 -2.585 5.566 1.00 0.00 C ATOM 711 C PHE A 241 50.061 -1.264 5.811 1.00 0.00 C ATOM 712 O PHE A 241 49.092 -1.217 6.568 1.00 0.00 O ATOM 713 CB PHE A 241 52.074 -2.559 6.352 1.00 0.00 C ATOM 714 CG PHE A 241 52.643 -3.883 6.777 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.852 -4.867 7.365 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.983 -4.127 6.619 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.412 -6.071 7.774 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.544 -5.318 7.031 1.00 0.00 C ATOM 719 CZ PHE A 241 53.766 -6.290 7.605 1.00 0.00 C ATOM 0 H PHE A 241 51.995 -2.797 3.886 1.00 0.00 H new ATOM 0 HA PHE A 241 50.116 -3.383 5.904 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.824 -2.046 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.916 -1.956 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.795 -4.693 7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.610 -3.374 6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.791 -6.833 8.222 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.603 -5.486 6.901 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.209 -7.222 7.923 1.00 0.00 H new ATOM 729 N LEU A 242 50.535 -0.201 5.212 1.00 0.00 N ATOM 730 CA LEU A 242 50.050 1.123 5.552 1.00 0.00 C ATOM 731 C LEU A 242 49.339 1.862 4.416 1.00 0.00 C ATOM 732 O LEU A 242 48.982 3.034 4.567 1.00 0.00 O ATOM 733 CB LEU A 242 51.170 1.963 6.208 1.00 0.00 C ATOM 734 CG LEU A 242 52.533 1.982 5.504 1.00 0.00 C ATOM 735 CD1 LEU A 242 52.928 3.400 5.122 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.609 1.329 6.390 1.00 0.00 C ATOM 0 H LEU A 242 51.254 -0.220 4.488 1.00 0.00 H new ATOM 0 HA LEU A 242 49.259 0.972 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.818 2.991 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.319 1.595 7.223 1.00 0.00 H new ATOM 0 HG LEU A 242 52.450 1.401 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.898 3.386 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.180 3.817 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 242 52.990 4.015 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.569 1.352 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.689 1.877 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.332 0.295 6.596 1.00 0.00 H new ATOM 748 N GLY A 243 49.136 1.208 3.291 1.00 0.00 N ATOM 749 CA GLY A 243 48.319 1.813 2.263 1.00 0.00 C ATOM 750 C GLY A 243 49.008 1.967 0.928 1.00 0.00 C ATOM 751 O GLY A 243 50.214 2.179 0.872 1.00 0.00 O ATOM 0 H GLY A 243 49.512 0.286 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.421 1.210 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.994 2.795 2.606 1.00 0.00 H new