USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 405 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 45 ASN : amide:sc= 1.36 K(o=1.4,f=-8.4!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0.00859 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -132:sc= 1.08 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0114 F(o=-1.7!,f=-0.011) USER MOD Single : A 19 GLN : amide:sc=-0.00525 X(o=-0.0052,f=0) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.514) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0211) USER MOD Single : A 28 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.14) USER MOD Single : A 47 MET CE :methyl 143:sc= -0.159 (180deg=-0.856) USER MOD Single : A 48 ASN : amide:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 0.665 (180deg=0.327) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -100:sc= 0.416 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N VAL A 8 8.060 -5.487 -1.472 1.00 0.00 N ATOM 93 CA VAL A 8 6.941 -5.329 -0.568 1.00 0.00 C ATOM 94 C VAL A 8 7.262 -4.327 0.526 1.00 0.00 C ATOM 95 O VAL A 8 8.361 -4.305 1.078 1.00 0.00 O ATOM 96 CB VAL A 8 6.515 -6.674 0.054 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.525 -6.469 1.191 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.905 -7.559 -1.011 1.00 0.00 C ATOM 0 HA VAL A 8 6.106 -4.950 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 8 7.402 -7.156 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.245 -7.436 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.985 -5.858 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.635 -5.965 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.605 -8.508 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.031 -7.066 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.638 -7.741 -1.797 1.00 0.00 H new ATOM 108 N VAL A 9 6.284 -3.495 0.807 1.00 0.00 N ATOM 109 CA VAL A 9 6.377 -2.468 1.819 1.00 0.00 C ATOM 110 C VAL A 9 5.341 -2.741 2.908 1.00 0.00 C ATOM 111 O VAL A 9 4.635 -3.745 2.854 1.00 0.00 O ATOM 112 CB VAL A 9 6.124 -1.094 1.187 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.245 -0.759 0.224 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.786 -1.077 0.470 1.00 0.00 C ATOM 0 H VAL A 9 5.384 -3.514 0.328 1.00 0.00 H new ATOM 0 HA VAL A 9 7.375 -2.475 2.258 1.00 0.00 H new ATOM 0 HB VAL A 9 6.097 -0.342 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.061 0.218 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.193 -0.740 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.288 -1.514 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.623 -0.094 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.784 -1.833 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.989 -1.291 1.182 1.00 0.00 H new ATOM 124 N VAL A 10 5.227 -1.853 3.875 1.00 0.00 N ATOM 125 CA VAL A 10 4.274 -2.049 4.956 1.00 0.00 C ATOM 126 C VAL A 10 3.611 -0.721 5.326 1.00 0.00 C ATOM 127 O VAL A 10 4.266 0.315 5.389 1.00 0.00 O ATOM 128 CB VAL A 10 4.957 -2.678 6.195 1.00 0.00 C ATOM 129 CG1 VAL A 10 6.072 -1.791 6.721 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.943 -2.978 7.290 1.00 0.00 C ATOM 0 H VAL A 10 5.775 -0.995 3.938 1.00 0.00 H new ATOM 0 HA VAL A 10 3.506 -2.740 4.610 1.00 0.00 H new ATOM 0 HB VAL A 10 5.401 -3.622 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.531 -2.261 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.824 -1.653 5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.662 -0.822 7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.452 -3.419 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.453 -2.053 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.196 -3.677 6.913 1.00 0.00 H new ATOM 140 N ALA A 11 2.311 -0.754 5.547 1.00 0.00 N ATOM 141 CA ALA A 11 1.551 0.452 5.832 1.00 0.00 C ATOM 142 C ALA A 11 1.752 0.917 7.266 1.00 0.00 C ATOM 143 O ALA A 11 1.906 0.106 8.180 1.00 0.00 O ATOM 144 CB ALA A 11 0.084 0.218 5.561 1.00 0.00 C ATOM 0 H ALA A 11 1.754 -1.608 5.535 1.00 0.00 H new ATOM 0 HA ALA A 11 1.918 1.239 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.476 1.128 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.054 -0.052 4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.279 -0.591 6.195 1.00 0.00 H new ATOM 150 N LYS A 12 1.742 2.228 7.455 1.00 0.00 N ATOM 151 CA LYS A 12 1.949 2.813 8.766 1.00 0.00 C ATOM 152 C LYS A 12 0.640 2.834 9.544 1.00 0.00 C ATOM 153 O LYS A 12 0.567 2.345 10.670 1.00 0.00 O ATOM 154 CB LYS A 12 2.492 4.233 8.623 1.00 0.00 C ATOM 155 CG LYS A 12 3.056 4.811 9.908 1.00 0.00 C ATOM 156 CD LYS A 12 4.396 4.188 10.248 1.00 0.00 C ATOM 157 CE LYS A 12 4.962 4.762 11.530 1.00 0.00 C ATOM 158 NZ LYS A 12 4.263 4.242 12.735 1.00 0.00 N ATOM 0 H LYS A 12 1.592 2.908 6.710 1.00 0.00 H new ATOM 0 HA LYS A 12 2.673 2.208 9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.272 4.238 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.693 4.882 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.169 5.890 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.355 4.640 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.282 3.109 10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.096 4.359 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.023 4.522 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.882 5.849 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.684 4.662 13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.255 4.493 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.361 3.207 12.774 1.00 0.00 H new ATOM 172 N PHE A 13 -0.395 3.396 8.933 1.00 0.00 N ATOM 173 CA PHE A 13 -1.698 3.495 9.577 1.00 0.00 C ATOM 174 C PHE A 13 -2.785 2.961 8.657 1.00 0.00 C ATOM 175 O PHE A 13 -2.551 2.744 7.473 1.00 0.00 O ATOM 176 CB PHE A 13 -2.017 4.949 9.942 1.00 0.00 C ATOM 177 CG PHE A 13 -1.004 5.606 10.836 1.00 0.00 C ATOM 178 CD1 PHE A 13 -0.901 5.251 12.173 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.152 6.583 10.338 1.00 0.00 C ATOM 180 CE1 PHE A 13 0.031 5.859 12.995 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.780 7.192 11.155 1.00 0.00 C ATOM 182 CZ PHE A 13 0.873 6.830 12.484 1.00 0.00 C ATOM 0 H PHE A 13 -0.357 3.790 7.993 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.666 2.898 10.489 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.103 5.530 9.024 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.990 4.982 10.432 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.555 4.492 12.576 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.219 6.870 9.299 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.101 5.576 14.035 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.436 7.951 10.755 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.602 7.304 13.124 1.00 0.00 H new ATOM 192 N ASP A 14 -3.968 2.741 9.216 1.00 0.00 N ATOM 193 CA ASP A 14 -5.114 2.303 8.436 1.00 0.00 C ATOM 194 C ASP A 14 -5.573 3.408 7.497 1.00 0.00 C ATOM 195 O ASP A 14 -5.735 4.560 7.908 1.00 0.00 O ATOM 196 CB ASP A 14 -6.287 1.923 9.340 1.00 0.00 C ATOM 197 CG ASP A 14 -5.969 0.820 10.330 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.896 -0.354 9.923 1.00 0.00 O ATOM 199 OD2 ASP A 14 -5.821 1.118 11.529 1.00 0.00 O ATOM 0 H ASP A 14 -4.157 2.860 10.211 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.799 1.430 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.611 2.807 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.125 1.609 8.718 1.00 0.00 H new ATOM 204 N TYR A 15 -5.779 3.059 6.241 1.00 0.00 N ATOM 205 CA TYR A 15 -6.348 3.988 5.281 1.00 0.00 C ATOM 206 C TYR A 15 -7.410 3.293 4.449 1.00 0.00 C ATOM 207 O TYR A 15 -7.107 2.425 3.633 1.00 0.00 O ATOM 208 CB TYR A 15 -5.269 4.585 4.370 1.00 0.00 C ATOM 209 CG TYR A 15 -5.840 5.278 3.152 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.731 6.333 3.288 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.510 4.856 1.870 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.270 6.957 2.182 1.00 0.00 C ATOM 213 CE2 TYR A 15 -6.046 5.476 0.757 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.928 6.528 0.921 1.00 0.00 C ATOM 215 OH TYR A 15 -7.460 7.171 -0.175 1.00 0.00 O ATOM 0 H TYR A 15 -5.561 2.138 5.861 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.805 4.806 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.673 5.297 4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.595 3.792 4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.007 6.671 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.825 4.031 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.958 7.780 2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.778 5.141 -0.234 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.810 6.507 -0.806 1.00 0.00 H new ATOM 225 N VAL A 16 -8.651 3.686 4.662 1.00 0.00 N ATOM 226 CA VAL A 16 -9.757 3.141 3.902 1.00 0.00 C ATOM 227 C VAL A 16 -9.989 3.994 2.667 1.00 0.00 C ATOM 228 O VAL A 16 -10.019 5.223 2.751 1.00 0.00 O ATOM 229 CB VAL A 16 -11.054 3.088 4.734 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.170 2.428 3.940 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.819 2.348 6.041 1.00 0.00 C ATOM 0 H VAL A 16 -8.918 4.383 5.357 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.497 2.121 3.618 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.356 4.109 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.078 2.399 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.356 2.999 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.877 1.412 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.745 2.320 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.493 1.330 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.050 2.863 6.617 1.00 0.00 H new ATOM 241 N ALA A 17 -10.146 3.343 1.530 1.00 0.00 N ATOM 242 CA ALA A 17 -10.362 4.041 0.280 1.00 0.00 C ATOM 243 C ALA A 17 -11.851 4.054 -0.041 1.00 0.00 C ATOM 244 O ALA A 17 -12.607 3.227 0.474 1.00 0.00 O ATOM 245 CB ALA A 17 -9.570 3.379 -0.837 1.00 0.00 C ATOM 0 H ALA A 17 -10.128 2.326 1.448 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.014 5.070 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.742 3.914 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.508 3.404 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.892 2.344 -0.947 1.00 0.00 H new ATOM 251 N GLN A 18 -12.279 4.976 -0.883 1.00 0.00 N ATOM 252 CA GLN A 18 -13.693 5.104 -1.194 1.00 0.00 C ATOM 253 C GLN A 18 -14.134 4.049 -2.201 1.00 0.00 C ATOM 254 O GLN A 18 -15.191 3.435 -2.050 1.00 0.00 O ATOM 255 CB GLN A 18 -14.009 6.499 -1.722 1.00 0.00 C ATOM 256 CG GLN A 18 -13.816 7.597 -0.693 1.00 0.00 C ATOM 257 CD GLN A 18 -14.111 8.961 -1.268 1.00 0.00 C ATOM 258 OE1 GLN A 18 -13.911 9.090 -2.564 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -14.527 9.880 -0.562 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.674 5.643 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.248 4.947 -0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.374 6.705 -2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.040 6.520 -2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.468 7.414 0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.791 7.572 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.666 9.732 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.732 10.789 -0.977 1.00 0.00 H new ATOM 268 N GLN A 19 -13.322 3.832 -3.223 1.00 0.00 N ATOM 269 CA GLN A 19 -13.644 2.855 -4.249 1.00 0.00 C ATOM 270 C GLN A 19 -12.400 2.047 -4.591 1.00 0.00 C ATOM 271 O GLN A 19 -11.291 2.437 -4.233 1.00 0.00 O ATOM 272 CB GLN A 19 -14.179 3.552 -5.504 1.00 0.00 C ATOM 273 CG GLN A 19 -14.987 2.643 -6.419 1.00 0.00 C ATOM 274 CD GLN A 19 -15.433 3.338 -7.690 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.484 3.978 -7.723 1.00 0.00 O ATOM 276 NE2 GLN A 19 -14.656 3.192 -8.751 1.00 0.00 N ATOM 0 H GLN A 19 -12.437 4.319 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.417 2.186 -3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.802 4.394 -5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.340 3.962 -6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.388 1.770 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.863 2.280 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.793 2.653 -8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.920 3.618 -9.639 1.00 0.00 H new ATOM 285 N GLU A 20 -12.584 0.938 -5.297 1.00 0.00 N ATOM 286 CA GLU A 20 -11.474 0.059 -5.664 1.00 0.00 C ATOM 287 C GLU A 20 -10.582 0.701 -6.730 1.00 0.00 C ATOM 288 O GLU A 20 -9.584 0.114 -7.147 1.00 0.00 O ATOM 289 CB GLU A 20 -12.006 -1.288 -6.159 1.00 0.00 C ATOM 290 CG GLU A 20 -12.995 -1.938 -5.207 1.00 0.00 C ATOM 291 CD GLU A 20 -13.550 -3.243 -5.743 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.181 -3.226 -6.822 1.00 0.00 O ATOM 293 OE2 GLU A 20 -13.359 -4.291 -5.087 1.00 0.00 O ATOM 0 H GLU A 20 -13.495 0.623 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.867 -0.103 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.486 -1.146 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.167 -1.965 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.506 -2.121 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.818 -1.248 -5.017 1.00 0.00 H new ATOM 300 N GLN A 21 -10.959 1.894 -7.189 1.00 0.00 N ATOM 301 CA GLN A 21 -10.152 2.633 -8.159 1.00 0.00 C ATOM 302 C GLN A 21 -8.858 3.115 -7.505 1.00 0.00 C ATOM 303 O GLN A 21 -7.835 3.294 -8.168 1.00 0.00 O ATOM 304 CB GLN A 21 -10.931 3.825 -8.727 1.00 0.00 C ATOM 305 CG GLN A 21 -11.248 4.900 -7.702 1.00 0.00 C ATOM 306 CD GLN A 21 -11.913 6.115 -8.316 1.00 0.00 C ATOM 307 OE1 GLN A 21 -12.680 5.906 -9.377 1.00 0.00 O flip ATOM 308 NE2 GLN A 21 -11.732 7.238 -7.845 1.00 0.00 N flip ATOM 0 H GLN A 21 -11.816 2.368 -6.905 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.909 1.962 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.354 4.269 -9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.864 3.463 -9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.900 4.483 -6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.327 5.207 -7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.134 7.358 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.180 8.049 -8.273 1.00 0.00 H new ATOM 317 N GLU A 22 -8.925 3.332 -6.200 1.00 0.00 N ATOM 318 CA GLU A 22 -7.756 3.665 -5.408 1.00 0.00 C ATOM 319 C GLU A 22 -7.338 2.445 -4.604 1.00 0.00 C ATOM 320 O GLU A 22 -7.962 1.388 -4.712 1.00 0.00 O ATOM 321 CB GLU A 22 -8.037 4.861 -4.492 1.00 0.00 C ATOM 322 CG GLU A 22 -9.454 4.900 -3.949 1.00 0.00 C ATOM 323 CD GLU A 22 -9.664 6.022 -2.953 1.00 0.00 C ATOM 324 OE1 GLU A 22 -8.665 6.535 -2.413 1.00 0.00 O ATOM 325 OE2 GLU A 22 -10.831 6.391 -2.700 1.00 0.00 O ATOM 0 H GLU A 22 -9.791 3.282 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.940 3.953 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.338 4.838 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.844 5.781 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.153 5.018 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.683 3.947 -3.471 1.00 0.00 H new ATOM 332 N LEU A 23 -6.298 2.570 -3.802 1.00 0.00 N ATOM 333 CA LEU A 23 -5.808 1.424 -3.066 1.00 0.00 C ATOM 334 C LEU A 23 -6.228 1.531 -1.604 1.00 0.00 C ATOM 335 O LEU A 23 -5.994 2.546 -0.948 1.00 0.00 O ATOM 336 CB LEU A 23 -4.283 1.330 -3.195 1.00 0.00 C ATOM 337 CG LEU A 23 -3.691 -0.075 -3.044 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.546 -0.464 -1.589 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.564 -1.084 -3.755 1.00 0.00 C ATOM 0 H LEU A 23 -5.785 3.438 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.241 0.514 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.994 1.724 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.832 1.977 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.698 -0.066 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.123 -1.466 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.886 0.243 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.525 -0.450 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.135 -2.080 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.564 -1.069 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.623 -0.832 -4.814 1.00 0.00 H new ATOM 351 N ASP A 24 -6.849 0.473 -1.108 1.00 0.00 N ATOM 352 CA ASP A 24 -7.314 0.421 0.273 1.00 0.00 C ATOM 353 C ASP A 24 -6.292 -0.323 1.117 1.00 0.00 C ATOM 354 O ASP A 24 -5.970 -1.474 0.821 1.00 0.00 O ATOM 355 CB ASP A 24 -8.670 -0.281 0.338 1.00 0.00 C ATOM 356 CG ASP A 24 -9.331 -0.205 1.704 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.952 -0.983 2.604 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.260 0.615 1.871 1.00 0.00 O ATOM 0 H ASP A 24 -7.045 -0.371 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.429 1.433 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.335 0.163 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.541 -1.328 0.064 1.00 0.00 H new ATOM 363 N ILE A 25 -5.756 0.325 2.145 1.00 0.00 N ATOM 364 CA ILE A 25 -4.704 -0.283 2.948 1.00 0.00 C ATOM 365 C ILE A 25 -5.123 -0.402 4.410 1.00 0.00 C ATOM 366 O ILE A 25 -6.185 0.076 4.812 1.00 0.00 O ATOM 367 CB ILE A 25 -3.365 0.494 2.863 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.467 1.869 3.508 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.921 0.645 1.420 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.355 2.130 4.487 1.00 0.00 C ATOM 0 H ILE A 25 -6.030 1.262 2.439 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.546 -1.278 2.531 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.624 -0.088 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.450 2.633 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.425 1.956 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.980 1.193 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.784 -0.341 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.680 1.192 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.475 3.124 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.387 1.384 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.396 2.071 3.972 1.00 0.00 H new ATOM 382 N LYS A 26 -4.277 -1.033 5.204 1.00 0.00 N ATOM 383 CA LYS A 26 -4.566 -1.261 6.608 1.00 0.00 C ATOM 384 C LYS A 26 -3.307 -1.024 7.428 1.00 0.00 C ATOM 385 O LYS A 26 -2.203 -1.142 6.904 1.00 0.00 O ATOM 386 CB LYS A 26 -5.062 -2.694 6.803 1.00 0.00 C ATOM 387 CG LYS A 26 -6.011 -2.856 7.972 1.00 0.00 C ATOM 388 CD LYS A 26 -7.269 -2.032 7.760 1.00 0.00 C ATOM 389 CE LYS A 26 -8.345 -2.374 8.773 1.00 0.00 C ATOM 390 NZ LYS A 26 -7.826 -2.369 10.166 1.00 0.00 N ATOM 0 H LYS A 26 -3.376 -1.400 4.897 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.342 -0.571 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.562 -3.023 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.204 -3.349 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.274 -3.907 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.518 -2.545 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.025 -0.972 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.650 -2.203 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.162 -1.657 8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.758 -3.356 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.580 -2.068 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.510 -3.326 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.025 -1.710 10.236 1.00 0.00 H new ATOM 404 N LYS A 27 -3.463 -0.687 8.701 1.00 0.00 N ATOM 405 CA LYS A 27 -2.314 -0.459 9.569 1.00 0.00 C ATOM 406 C LYS A 27 -1.446 -1.708 9.668 1.00 0.00 C ATOM 407 O LYS A 27 -1.941 -2.798 9.963 1.00 0.00 O ATOM 408 CB LYS A 27 -2.761 -0.029 10.963 1.00 0.00 C ATOM 409 CG LYS A 27 -1.619 0.020 11.967 1.00 0.00 C ATOM 410 CD LYS A 27 -2.019 0.700 13.262 1.00 0.00 C ATOM 411 CE LYS A 27 -0.848 0.742 14.228 1.00 0.00 C ATOM 412 NZ LYS A 27 -0.553 -0.593 14.812 1.00 0.00 N ATOM 0 H LYS A 27 -4.369 -0.566 9.155 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.723 0.343 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.225 0.955 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.524 -0.720 11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.283 -0.995 12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.774 0.550 11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.363 1.713 13.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.853 0.166 13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.036 1.113 13.709 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.066 1.447 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.196 -0.501 15.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.412 -0.975 15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.237 -1.239 14.060 1.00 0.00 H new ATOM 426 N ASN A 28 -0.157 -1.527 9.401 1.00 0.00 N ATOM 427 CA ASN A 28 0.837 -2.603 9.482 1.00 0.00 C ATOM 428 C ASN A 28 0.550 -3.692 8.436 1.00 0.00 C ATOM 429 O ASN A 28 0.992 -4.834 8.560 1.00 0.00 O ATOM 430 CB ASN A 28 0.880 -3.190 10.905 1.00 0.00 C ATOM 431 CG ASN A 28 2.138 -4.003 11.187 1.00 0.00 C ATOM 432 OD1 ASN A 28 3.177 -3.451 11.556 1.00 0.00 O ATOM 433 ND2 ASN A 28 2.050 -5.317 11.048 1.00 0.00 N ATOM 0 H ASN A 28 0.234 -0.628 9.121 1.00 0.00 H new ATOM 0 HA ASN A 28 1.819 -2.185 9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.812 -2.377 11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.006 -3.823 11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.858 -5.906 11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.174 -5.740 10.741 1.00 0.00 H new ATOM 440 N GLU A 29 -0.182 -3.328 7.392 1.00 0.00 N ATOM 441 CA GLU A 29 -0.471 -4.257 6.309 1.00 0.00 C ATOM 442 C GLU A 29 0.615 -4.141 5.248 1.00 0.00 C ATOM 443 O GLU A 29 1.136 -3.058 5.010 1.00 0.00 O ATOM 444 CB GLU A 29 -1.844 -3.961 5.699 1.00 0.00 C ATOM 445 CG GLU A 29 -2.304 -5.008 4.698 1.00 0.00 C ATOM 446 CD GLU A 29 -2.468 -6.376 5.326 1.00 0.00 C ATOM 447 OE1 GLU A 29 -3.533 -6.638 5.924 1.00 0.00 O ATOM 448 OE2 GLU A 29 -1.532 -7.194 5.228 1.00 0.00 O ATOM 0 H GLU A 29 -0.585 -2.399 7.272 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.488 -5.273 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.580 -3.888 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.812 -2.989 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.252 -4.696 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.582 -5.070 3.883 1.00 0.00 H new ATOM 455 N ARG A 30 0.963 -5.250 4.626 1.00 0.00 N ATOM 456 CA ARG A 30 2.019 -5.253 3.627 1.00 0.00 C ATOM 457 C ARG A 30 1.443 -4.929 2.253 1.00 0.00 C ATOM 458 O ARG A 30 0.431 -5.502 1.842 1.00 0.00 O ATOM 459 CB ARG A 30 2.709 -6.620 3.602 1.00 0.00 C ATOM 460 CG ARG A 30 1.832 -7.712 3.024 1.00 0.00 C ATOM 461 CD ARG A 30 2.252 -9.097 3.491 1.00 0.00 C ATOM 462 NE ARG A 30 2.041 -9.277 4.926 1.00 0.00 N ATOM 463 CZ ARG A 30 0.907 -9.727 5.462 1.00 0.00 C ATOM 464 NH1 ARG A 30 -0.132 -10.011 4.684 1.00 0.00 N ATOM 465 NH2 ARG A 30 0.810 -9.881 6.775 1.00 0.00 N ATOM 0 H ARG A 30 0.533 -6.160 4.792 1.00 0.00 H new ATOM 0 HA ARG A 30 2.754 -4.491 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.625 -6.548 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.000 -6.893 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.796 -7.533 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.873 -7.670 1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.687 -9.851 2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.305 -9.255 3.256 1.00 0.00 H new ATOM 0 HE ARG A 30 2.809 -9.044 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.063 -9.885 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.999 -10.355 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.603 -9.655 7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.058 -10.225 7.185 1.00 0.00 H new ATOM 479 N LEU A 31 2.063 -3.998 1.550 1.00 0.00 N ATOM 480 CA LEU A 31 1.626 -3.668 0.205 1.00 0.00 C ATOM 481 C LEU A 31 2.768 -3.894 -0.775 1.00 0.00 C ATOM 482 O LEU A 31 3.926 -3.996 -0.380 1.00 0.00 O ATOM 483 CB LEU A 31 1.132 -2.211 0.084 1.00 0.00 C ATOM 484 CG LEU A 31 -0.037 -1.791 0.986 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.062 -2.903 1.117 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.461 -1.343 2.349 1.00 0.00 C ATOM 0 H LEU A 31 2.863 -3.461 1.884 1.00 0.00 H new ATOM 0 HA LEU A 31 0.785 -4.321 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.974 -1.550 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.839 -2.038 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.531 -0.942 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.876 -2.573 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.457 -3.151 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.589 -3.784 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.387 -1.051 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.995 -2.163 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.133 -0.493 2.230 1.00 0.00 H new ATOM 498 N TRP A 32 2.438 -3.977 -2.046 1.00 0.00 N ATOM 499 CA TRP A 32 3.441 -4.074 -3.095 1.00 0.00 C ATOM 500 C TRP A 32 3.705 -2.693 -3.657 1.00 0.00 C ATOM 501 O TRP A 32 2.789 -2.037 -4.139 1.00 0.00 O ATOM 502 CB TRP A 32 2.982 -5.010 -4.213 1.00 0.00 C ATOM 503 CG TRP A 32 3.153 -6.462 -3.896 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.228 -7.242 -4.207 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.221 -7.314 -3.219 1.00 0.00 C ATOM 506 NE1 TRP A 32 4.026 -8.525 -3.761 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.802 -8.595 -3.151 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.954 -7.117 -2.662 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.159 -9.672 -2.550 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.317 -8.186 -2.066 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.920 -9.450 -2.013 1.00 0.00 C ATOM 0 H TRP A 32 1.476 -3.980 -2.384 1.00 0.00 H new ATOM 0 HA TRP A 32 4.356 -4.485 -2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.931 -4.816 -4.427 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.540 -4.778 -5.120 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.110 -6.900 -4.728 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.681 -9.300 -3.867 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.483 -6.146 -2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.621 -10.648 -2.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.663 -8.046 -1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.396 -10.266 -1.538 1.00 0.00 H new ATOM 522 N LEU A 33 4.947 -2.249 -3.591 1.00 0.00 N ATOM 523 CA LEU A 33 5.276 -0.896 -3.999 1.00 0.00 C ATOM 524 C LEU A 33 5.797 -0.861 -5.428 1.00 0.00 C ATOM 525 O LEU A 33 6.849 -1.419 -5.735 1.00 0.00 O ATOM 526 CB LEU A 33 6.294 -0.286 -3.039 1.00 0.00 C ATOM 527 CG LEU A 33 6.668 1.168 -3.324 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.423 2.029 -3.416 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.578 1.697 -2.233 1.00 0.00 C ATOM 0 H LEU A 33 5.739 -2.801 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 33 4.363 -0.301 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.898 -0.350 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.201 -0.890 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 33 7.193 1.207 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.709 3.061 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.786 1.663 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.878 1.982 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.838 2.734 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.065 1.642 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.486 1.096 -2.194 1.00 0.00 H new ATOM 541 N LEU A 34 5.043 -0.205 -6.299 1.00 0.00 N ATOM 542 CA LEU A 34 5.429 -0.076 -7.695 1.00 0.00 C ATOM 543 C LEU A 34 5.999 1.315 -7.958 1.00 0.00 C ATOM 544 O LEU A 34 6.865 1.491 -8.817 1.00 0.00 O ATOM 545 CB LEU A 34 4.232 -0.329 -8.625 1.00 0.00 C ATOM 546 CG LEU A 34 3.547 -1.700 -8.494 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.573 -2.811 -8.346 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.565 -1.711 -7.330 1.00 0.00 C ATOM 0 H LEU A 34 4.160 0.246 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 34 6.193 -0.825 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.487 0.445 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.568 -0.211 -9.655 1.00 0.00 H new ATOM 0 HG LEU A 34 2.985 -1.881 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.061 -3.769 -8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.221 -2.827 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.174 -2.635 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.095 -2.692 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.097 -1.497 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.799 -0.952 -7.493 1.00 0.00 H new ATOM 560 N ASP A 35 5.514 2.303 -7.214 1.00 0.00 N ATOM 561 CA ASP A 35 5.942 3.684 -7.414 1.00 0.00 C ATOM 562 C ASP A 35 5.975 4.445 -6.100 1.00 0.00 C ATOM 563 O ASP A 35 4.975 4.503 -5.390 1.00 0.00 O ATOM 564 CB ASP A 35 4.998 4.405 -8.375 1.00 0.00 C ATOM 565 CG ASP A 35 5.499 5.785 -8.742 1.00 0.00 C ATOM 566 OD1 ASP A 35 5.290 6.737 -7.960 1.00 0.00 O ATOM 567 OD2 ASP A 35 6.111 5.917 -9.820 1.00 0.00 O ATOM 0 H ASP A 35 4.828 2.175 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 35 6.947 3.654 -7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.881 3.810 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.012 4.488 -7.919 1.00 0.00 H new ATOM 628 N TRP A 40 1.745 10.307 -3.009 1.00 0.00 N ATOM 629 CA TRP A 40 0.816 9.242 -3.385 1.00 0.00 C ATOM 630 C TRP A 40 1.545 8.109 -4.095 1.00 0.00 C ATOM 631 O TRP A 40 1.823 8.175 -5.293 1.00 0.00 O ATOM 632 CB TRP A 40 -0.331 9.776 -4.252 1.00 0.00 C ATOM 633 CG TRP A 40 -1.298 10.625 -3.486 1.00 0.00 C ATOM 634 CD1 TRP A 40 -1.030 11.798 -2.848 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.694 10.372 -3.296 1.00 0.00 C ATOM 636 NE1 TRP A 40 -2.169 12.283 -2.257 1.00 0.00 N ATOM 637 CE2 TRP A 40 -3.206 11.428 -2.520 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.560 9.351 -3.700 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -4.545 11.494 -2.148 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.888 9.419 -3.331 1.00 0.00 C ATOM 641 CH2 TRP A 40 -5.370 10.484 -2.560 1.00 0.00 C ATOM 0 HA TRP A 40 0.382 8.848 -2.466 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.084 10.359 -5.074 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.866 8.936 -4.695 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.062 12.276 -2.813 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.233 13.142 -1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.196 8.523 -4.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.920 12.315 -1.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.566 8.638 -3.642 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -6.414 10.508 -2.285 1.00 0.00 H new ATOM 652 N TRP A 41 1.867 7.076 -3.338 1.00 0.00 N ATOM 653 CA TRP A 41 2.604 5.946 -3.867 1.00 0.00 C ATOM 654 C TRP A 41 1.651 4.958 -4.522 1.00 0.00 C ATOM 655 O TRP A 41 0.532 4.756 -4.047 1.00 0.00 O ATOM 656 CB TRP A 41 3.401 5.257 -2.756 1.00 0.00 C ATOM 657 CG TRP A 41 4.432 6.140 -2.114 1.00 0.00 C ATOM 658 CD1 TRP A 41 4.866 7.358 -2.558 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.167 5.866 -0.915 1.00 0.00 C ATOM 660 NE1 TRP A 41 5.817 7.860 -1.706 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.019 6.964 -0.689 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.183 4.804 -0.007 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.880 7.025 0.405 1.00 0.00 C ATOM 664 CZ3 TRP A 41 6.037 4.866 1.077 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.873 5.971 1.276 1.00 0.00 C ATOM 0 H TRP A 41 1.628 6.998 -2.350 1.00 0.00 H new ATOM 0 HA TRP A 41 3.304 6.310 -4.619 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.710 4.905 -1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.895 4.377 -3.168 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.512 7.853 -3.450 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.296 8.754 -1.812 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.539 3.949 -0.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.529 7.874 0.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.060 4.049 1.782 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.526 5.991 2.136 1.00 0.00 H new ATOM 676 N ARG A 42 2.090 4.362 -5.618 1.00 0.00 N ATOM 677 CA ARG A 42 1.284 3.381 -6.323 1.00 0.00 C ATOM 678 C ARG A 42 1.588 1.995 -5.786 1.00 0.00 C ATOM 679 O ARG A 42 2.691 1.472 -5.973 1.00 0.00 O ATOM 680 CB ARG A 42 1.550 3.439 -7.828 1.00 0.00 C ATOM 681 CG ARG A 42 0.557 2.638 -8.657 1.00 0.00 C ATOM 682 CD ARG A 42 0.894 2.690 -10.138 1.00 0.00 C ATOM 683 NE ARG A 42 -0.201 2.185 -10.964 1.00 0.00 N ATOM 684 CZ ARG A 42 -0.088 1.884 -12.258 1.00 0.00 C ATOM 685 NH1 ARG A 42 1.096 1.919 -12.859 1.00 0.00 N ATOM 686 NH2 ARG A 42 -1.164 1.525 -12.946 1.00 0.00 N ATOM 0 H ARG A 42 3.002 4.541 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 42 0.231 3.608 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.525 4.479 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.556 3.068 -8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.554 1.601 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.448 3.028 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.120 3.718 -10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.792 2.102 -10.327 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.111 2.054 -10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.929 2.178 -12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.172 1.687 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.073 1.480 -12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.083 1.294 -13.936 1.00 0.00 H new ATOM 700 N VAL A 43 0.618 1.414 -5.106 1.00 0.00 N ATOM 701 CA VAL A 43 0.817 0.138 -4.445 1.00 0.00 C ATOM 702 C VAL A 43 -0.310 -0.841 -4.745 1.00 0.00 C ATOM 703 O VAL A 43 -1.378 -0.459 -5.228 1.00 0.00 O ATOM 704 CB VAL A 43 0.929 0.300 -2.914 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.275 0.893 -2.520 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.209 1.164 -2.392 1.00 0.00 C ATOM 0 H VAL A 43 -0.317 1.806 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 43 1.752 -0.259 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 43 0.856 -0.689 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.324 0.995 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.076 0.236 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.390 1.873 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.119 1.271 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.162 2.148 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.163 0.693 -2.632 1.00 0.00 H new ATOM 716 N ARG A 44 -0.045 -2.102 -4.449 1.00 0.00 N ATOM 717 CA ARG A 44 -1.028 -3.163 -4.585 1.00 0.00 C ATOM 718 C ARG A 44 -1.191 -3.876 -3.247 1.00 0.00 C ATOM 719 O ARG A 44 -0.205 -4.238 -2.610 1.00 0.00 O ATOM 720 CB ARG A 44 -0.582 -4.162 -5.654 1.00 0.00 C ATOM 721 CG ARG A 44 -1.556 -5.309 -5.858 1.00 0.00 C ATOM 722 CD ARG A 44 -0.941 -6.428 -6.681 1.00 0.00 C ATOM 723 NE ARG A 44 -0.551 -5.984 -8.019 1.00 0.00 N ATOM 724 CZ ARG A 44 0.470 -6.496 -8.703 1.00 0.00 C ATOM 725 NH1 ARG A 44 1.207 -7.466 -8.172 1.00 0.00 N ATOM 726 NH2 ARG A 44 0.742 -6.045 -9.918 1.00 0.00 N ATOM 0 H ARG A 44 0.862 -2.420 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.982 -2.731 -4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.451 -3.635 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.391 -4.568 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.867 -5.699 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.453 -4.941 -6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.066 -6.820 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.655 -7.248 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.094 -5.238 -8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.991 -7.819 -7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.989 -7.858 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.170 -5.307 -10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.524 -6.436 -10.444 1.00 0.00 H new ATOM 740 N ASN A 45 -2.425 -4.051 -2.811 1.00 0.00 N ATOM 741 CA ASN A 45 -2.696 -4.788 -1.580 1.00 0.00 C ATOM 742 C ASN A 45 -2.918 -6.264 -1.918 1.00 0.00 C ATOM 743 O ASN A 45 -3.038 -6.625 -3.091 1.00 0.00 O ATOM 744 CB ASN A 45 -3.930 -4.210 -0.863 1.00 0.00 C ATOM 745 CG ASN A 45 -3.975 -4.534 0.629 1.00 0.00 C ATOM 746 OD1 ASN A 45 -3.433 -5.535 1.083 1.00 0.00 O ATOM 747 ND2 ASN A 45 -4.630 -3.687 1.403 1.00 0.00 N ATOM 0 H ASN A 45 -3.256 -3.696 -3.285 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.842 -4.693 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.942 -3.128 -0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.831 -4.597 -1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.694 -3.858 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.071 -2.862 0.997 1.00 0.00 H new ATOM 754 N SER A 46 -2.992 -7.104 -0.894 1.00 0.00 N ATOM 755 CA SER A 46 -3.192 -8.539 -1.070 1.00 0.00 C ATOM 756 C SER A 46 -4.591 -8.843 -1.607 1.00 0.00 C ATOM 757 O SER A 46 -4.887 -9.973 -1.990 1.00 0.00 O ATOM 758 CB SER A 46 -2.950 -9.263 0.259 1.00 0.00 C ATOM 759 OG SER A 46 -3.627 -8.618 1.329 1.00 0.00 O ATOM 0 H SER A 46 -2.915 -6.812 0.080 1.00 0.00 H new ATOM 0 HA SER A 46 -2.474 -8.900 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.290 -10.296 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.881 -9.295 0.469 1.00 0.00 H new ATOM 0 HG SER A 46 -3.456 -9.102 2.164 1.00 0.00 H new ATOM 765 N MET A 47 -5.438 -7.816 -1.645 1.00 0.00 N ATOM 766 CA MET A 47 -6.777 -7.927 -2.220 1.00 0.00 C ATOM 767 C MET A 47 -6.703 -7.790 -3.741 1.00 0.00 C ATOM 768 O MET A 47 -7.722 -7.728 -4.431 1.00 0.00 O ATOM 769 CB MET A 47 -7.686 -6.842 -1.620 1.00 0.00 C ATOM 770 CG MET A 47 -9.156 -6.950 -2.018 1.00 0.00 C ATOM 771 SD MET A 47 -9.963 -8.429 -1.363 1.00 0.00 S ATOM 772 CE MET A 47 -9.766 -8.161 0.398 1.00 0.00 C ATOM 0 H MET A 47 -5.217 -6.889 -1.281 1.00 0.00 H new ATOM 0 HA MET A 47 -7.196 -8.905 -1.983 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.614 -6.887 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.312 -5.865 -1.925 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.688 -6.067 -1.664 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.232 -6.953 -3.105 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.656 -8.512 0.921 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.895 -8.711 0.755 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.627 -7.097 0.591 1.00 0.00 H new ATOM 782 N ASN A 48 -5.472 -7.716 -4.252 1.00 0.00 N ATOM 783 CA ASN A 48 -5.203 -7.702 -5.692 1.00 0.00 C ATOM 784 C ASN A 48 -5.691 -6.412 -6.333 1.00 0.00 C ATOM 785 O ASN A 48 -5.740 -6.292 -7.551 1.00 0.00 O ATOM 786 CB ASN A 48 -5.832 -8.919 -6.385 1.00 0.00 C ATOM 787 CG ASN A 48 -5.347 -10.226 -5.788 1.00 0.00 C ATOM 788 OD1 ASN A 48 -4.317 -10.763 -6.193 1.00 0.00 O ATOM 789 ND2 ASN A 48 -6.094 -10.746 -4.823 1.00 0.00 N ATOM 0 H ASN A 48 -4.631 -7.664 -3.677 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.122 -7.756 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.917 -8.863 -6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.592 -8.895 -7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.822 -11.626 -4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.941 -10.266 -4.519 1.00 0.00 H new ATOM 796 N LYS A 49 -6.047 -5.449 -5.498 1.00 0.00 N ATOM 797 CA LYS A 49 -6.425 -4.131 -5.968 1.00 0.00 C ATOM 798 C LYS A 49 -5.171 -3.290 -6.129 1.00 0.00 C ATOM 799 O LYS A 49 -4.163 -3.555 -5.471 1.00 0.00 O ATOM 800 CB LYS A 49 -7.375 -3.452 -4.974 1.00 0.00 C ATOM 801 CG LYS A 49 -8.681 -4.199 -4.720 1.00 0.00 C ATOM 802 CD LYS A 49 -9.621 -4.150 -5.919 1.00 0.00 C ATOM 803 CE LYS A 49 -9.253 -5.173 -6.985 1.00 0.00 C ATOM 804 NZ LYS A 49 -9.390 -6.571 -6.493 1.00 0.00 N ATOM 0 H LYS A 49 -6.081 -5.559 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.940 -4.227 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.855 -3.327 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.610 -2.454 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.461 -5.238 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.180 -3.768 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.643 -4.329 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.599 -3.151 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.892 -5.032 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.227 -5.003 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.397 -7.225 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.589 -6.800 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.279 -6.667 -5.963 1.00 0.00 H new ATOM 818 N THR A 50 -5.223 -2.288 -6.990 1.00 0.00 N ATOM 819 CA THR A 50 -4.092 -1.394 -7.167 1.00 0.00 C ATOM 820 C THR A 50 -4.563 0.050 -7.279 1.00 0.00 C ATOM 821 O THR A 50 -5.668 0.319 -7.750 1.00 0.00 O ATOM 822 CB THR A 50 -3.273 -1.752 -8.417 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.205 -3.177 -8.579 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.868 -1.190 -8.306 1.00 0.00 C ATOM 0 H THR A 50 -6.031 -2.074 -7.574 1.00 0.00 H new ATOM 0 HA THR A 50 -3.456 -1.508 -6.290 1.00 0.00 H new ATOM 0 HB THR A 50 -3.767 -1.315 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.682 -3.391 -9.380 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.300 -1.452 -9.199 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.916 -0.105 -8.212 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.377 -1.609 -7.428 1.00 0.00 H new ATOM 832 N GLY A 51 -3.718 0.967 -6.850 1.00 0.00 N ATOM 833 CA GLY A 51 -4.053 2.372 -6.881 1.00 0.00 C ATOM 834 C GLY A 51 -2.995 3.213 -6.200 1.00 0.00 C ATOM 835 O GLY A 51 -1.852 2.776 -6.052 1.00 0.00 O ATOM 0 H GLY A 51 -2.792 0.760 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.166 2.697 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.014 2.528 -6.391 1.00 0.00 H new ATOM 839 N PHE A 52 -3.372 4.409 -5.778 1.00 0.00 N ATOM 840 CA PHE A 52 -2.454 5.315 -5.110 1.00 0.00 C ATOM 841 C PHE A 52 -2.889 5.516 -3.669 1.00 0.00 C ATOM 842 O PHE A 52 -4.082 5.529 -3.370 1.00 0.00 O ATOM 843 CB PHE A 52 -2.394 6.664 -5.834 1.00 0.00 C ATOM 844 CG PHE A 52 -1.871 6.573 -7.240 1.00 0.00 C ATOM 845 CD1 PHE A 52 -2.733 6.351 -8.301 1.00 0.00 C ATOM 846 CD2 PHE A 52 -0.518 6.720 -7.501 1.00 0.00 C ATOM 847 CE1 PHE A 52 -2.255 6.268 -9.594 1.00 0.00 C ATOM 848 CE2 PHE A 52 -0.034 6.637 -8.791 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.903 6.417 -9.841 1.00 0.00 C ATOM 0 H PHE A 52 -4.317 4.777 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.457 4.874 -5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.393 7.100 -5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.761 7.344 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.791 6.242 -8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.166 6.902 -6.685 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.937 6.087 -10.412 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.024 6.744 -8.979 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.528 6.361 -10.852 1.00 0.00 H new ATOM 859 N VAL A 53 -1.918 5.654 -2.785 1.00 0.00 N ATOM 860 CA VAL A 53 -2.189 5.835 -1.365 1.00 0.00 C ATOM 861 C VAL A 53 -1.442 7.041 -0.804 1.00 0.00 C ATOM 862 O VAL A 53 -0.397 7.431 -1.326 1.00 0.00 O ATOM 863 CB VAL A 53 -1.783 4.590 -0.548 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.688 3.418 -0.866 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.330 4.226 -0.810 1.00 0.00 C ATOM 0 H VAL A 53 -0.927 5.644 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.263 5.996 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.893 4.830 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.382 2.552 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.718 3.677 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.616 3.180 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.064 3.346 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.194 4.011 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.311 5.060 -0.524 1.00 0.00 H new ATOM 875 N PRO A 54 -1.977 7.646 0.269 1.00 0.00 N ATOM 876 CA PRO A 54 -1.304 8.723 0.995 1.00 0.00 C ATOM 877 C PRO A 54 0.052 8.272 1.524 1.00 0.00 C ATOM 878 O PRO A 54 0.139 7.360 2.349 1.00 0.00 O ATOM 879 CB PRO A 54 -2.257 9.033 2.158 1.00 0.00 C ATOM 880 CG PRO A 54 -3.136 7.834 2.263 1.00 0.00 C ATOM 881 CD PRO A 54 -3.284 7.334 0.858 1.00 0.00 C ATOM 0 HA PRO A 54 -1.105 9.587 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.708 9.203 3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.839 9.934 1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.692 7.075 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.104 8.091 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.498 6.266 0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.096 7.836 0.332 1.00 0.00 H new ATOM 889 N SER A 55 1.098 8.927 1.056 1.00 0.00 N ATOM 890 CA SER A 55 2.467 8.547 1.372 1.00 0.00 C ATOM 891 C SER A 55 2.790 8.736 2.858 1.00 0.00 C ATOM 892 O SER A 55 3.829 8.289 3.338 1.00 0.00 O ATOM 893 CB SER A 55 3.421 9.358 0.496 1.00 0.00 C ATOM 894 OG SER A 55 2.797 10.560 0.062 1.00 0.00 O ATOM 0 H SER A 55 1.025 9.740 0.444 1.00 0.00 H new ATOM 0 HA SER A 55 2.590 7.484 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.327 9.593 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.724 8.766 -0.368 1.00 0.00 H new ATOM 0 HG SER A 55 2.479 10.449 -0.858 1.00 0.00 H new ATOM 900 N ASN A 56 1.899 9.402 3.579 1.00 0.00 N ATOM 901 CA ASN A 56 2.099 9.641 5.004 1.00 0.00 C ATOM 902 C ASN A 56 1.518 8.505 5.845 1.00 0.00 C ATOM 903 O ASN A 56 1.842 8.367 7.026 1.00 0.00 O ATOM 904 CB ASN A 56 1.460 10.969 5.421 1.00 0.00 C ATOM 905 CG ASN A 56 2.007 12.150 4.642 1.00 0.00 C ATOM 906 OD1 ASN A 56 1.459 12.536 3.608 1.00 0.00 O ATOM 907 ND2 ASN A 56 3.098 12.723 5.121 1.00 0.00 N ATOM 0 H ASN A 56 1.032 9.786 3.203 1.00 0.00 H new ATOM 0 HA ASN A 56 3.173 9.687 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.381 10.911 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.629 11.131 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.516 13.514 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.522 12.374 5.980 1.00 0.00 H new ATOM 914 N TYR A 57 0.663 7.689 5.242 1.00 0.00 N ATOM 915 CA TYR A 57 -0.004 6.616 5.968 1.00 0.00 C ATOM 916 C TYR A 57 0.551 5.258 5.572 1.00 0.00 C ATOM 917 O TYR A 57 0.213 4.237 6.169 1.00 0.00 O ATOM 918 CB TYR A 57 -1.512 6.661 5.726 1.00 0.00 C ATOM 919 CG TYR A 57 -2.173 7.868 6.343 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.010 9.127 5.784 1.00 0.00 C ATOM 921 CD2 TYR A 57 -2.948 7.753 7.490 1.00 0.00 C ATOM 922 CE1 TYR A 57 -2.597 10.241 6.345 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.542 8.865 8.062 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.362 10.108 7.483 1.00 0.00 C ATOM 925 OH TYR A 57 -3.947 11.225 8.042 1.00 0.00 O ATOM 0 H TYR A 57 0.415 7.749 4.254 1.00 0.00 H new ATOM 0 HA TYR A 57 0.186 6.764 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.702 6.659 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.967 5.757 6.132 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.411 9.237 4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.089 6.782 7.942 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.458 11.213 5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.142 8.763 8.954 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.454 10.964 8.839 1.00 0.00 H new ATOM 935 N VAL A 58 1.408 5.254 4.565 1.00 0.00 N ATOM 936 CA VAL A 58 2.038 4.029 4.105 1.00 0.00 C ATOM 937 C VAL A 58 3.554 4.168 4.177 1.00 0.00 C ATOM 938 O VAL A 58 4.082 5.276 4.096 1.00 0.00 O ATOM 939 CB VAL A 58 1.620 3.667 2.666 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.126 3.434 2.585 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.037 4.748 1.687 1.00 0.00 C ATOM 0 H VAL A 58 1.684 6.089 4.049 1.00 0.00 H new ATOM 0 HA VAL A 58 1.705 3.224 4.760 1.00 0.00 H new ATOM 0 HB VAL A 58 2.132 2.744 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.148 3.180 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.151 2.615 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.400 4.339 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.729 4.466 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.562 5.690 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.120 4.866 1.715 1.00 0.00 H new ATOM 951 N GLU A 59 4.245 3.050 4.334 1.00 0.00 N ATOM 952 CA GLU A 59 5.690 3.061 4.496 1.00 0.00 C ATOM 953 C GLU A 59 6.338 1.977 3.651 1.00 0.00 C ATOM 954 O GLU A 59 5.667 1.081 3.139 1.00 0.00 O ATOM 955 CB GLU A 59 6.053 2.859 5.969 1.00 0.00 C ATOM 956 CG GLU A 59 5.619 4.004 6.861 1.00 0.00 C ATOM 957 CD GLU A 59 6.584 5.171 6.821 1.00 0.00 C ATOM 958 OE1 GLU A 59 6.869 5.684 5.720 1.00 0.00 O ATOM 959 OE2 GLU A 59 7.076 5.574 7.894 1.00 0.00 O ATOM 0 H GLU A 59 3.826 2.120 4.353 1.00 0.00 H new ATOM 0 HA GLU A 59 6.064 4.028 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.593 1.937 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.132 2.731 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.630 4.344 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.529 3.647 7.887 1.00 0.00 H new