USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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 NoAdj-H: B 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 8 THR OG1 : rot 95:sc= -2.85! USER MOD Single : A 9 SER OG : rot 30:sc= 0.568 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.723 K(o=-0.72,f=-1.3) USER MOD Single : A 18 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.54) USER MOD Single : A 19 TYR OH : rot 180:sc= -1.63! USER MOD Single : A 21 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ -140:sc= 0.894 (180deg=0.32) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= -5.07! C(o=-5.1!,f=-15!) USER MOD Single : B 5 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.57) USER MOD Single : B 9 SER OG : rot 81:sc= 0.498 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 176:sc= 0.0989 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 51:sc= 0.336 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.238 6.730 3.387 1.00 0.00 N ATOM 2 CA GLY A 1 -7.043 5.774 2.210 1.00 0.00 C ATOM 3 C GLY A 1 -5.668 5.537 1.679 1.00 0.00 C ATOM 4 O GLY A 1 -4.756 6.298 1.929 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.248 6.781 3.630 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.702 6.384 4.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.897 7.677 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.452 4.807 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.653 6.142 1.385 1.00 0.00 H new ATOM 10 N ILE A 2 -5.485 4.478 0.937 1.00 0.00 N ATOM 11 CA ILE A 2 -4.131 4.186 0.379 1.00 0.00 C ATOM 12 C ILE A 2 -3.935 4.936 -0.938 1.00 0.00 C ATOM 13 O ILE A 2 -2.935 5.589 -1.149 1.00 0.00 O ATOM 14 CB ILE A 2 -3.984 2.684 0.123 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.616 2.408 -0.507 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.081 2.212 -0.836 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.577 0.976 -1.045 1.00 0.00 C ATOM 0 H ILE A 2 -6.211 3.804 0.693 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.380 4.510 1.100 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.072 2.149 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.427 3.116 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.828 2.551 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.972 1.142 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.059 2.409 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.994 2.749 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.602 0.782 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.747 0.275 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.354 0.849 -1.799 1.00 0.00 H new ATOM 29 N VAL A 3 -4.880 4.845 -1.830 1.00 0.00 N ATOM 30 CA VAL A 3 -4.738 5.545 -3.136 1.00 0.00 C ATOM 31 C VAL A 3 -4.587 7.050 -2.901 1.00 0.00 C ATOM 32 O VAL A 3 -3.807 7.712 -3.551 1.00 0.00 O ATOM 33 CB VAL A 3 -5.975 5.279 -3.999 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.903 6.115 -5.280 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.032 3.793 -4.364 1.00 0.00 C ATOM 0 H VAL A 3 -5.744 4.316 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.853 5.172 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.869 5.553 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.785 5.922 -5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.864 7.173 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.008 5.845 -5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.912 3.603 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.135 3.520 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.089 3.197 -3.453 1.00 0.00 H new ATOM 45 N GLU A 4 -5.327 7.599 -1.982 1.00 0.00 N ATOM 46 CA GLU A 4 -5.220 9.063 -1.725 1.00 0.00 C ATOM 47 C GLU A 4 -3.811 9.414 -1.239 1.00 0.00 C ATOM 48 O GLU A 4 -3.175 10.316 -1.747 1.00 0.00 O ATOM 49 CB GLU A 4 -6.240 9.466 -0.660 1.00 0.00 C ATOM 50 CG GLU A 4 -7.246 10.450 -1.259 1.00 0.00 C ATOM 51 CD GLU A 4 -7.715 11.423 -0.177 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.883 11.858 0.603 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.899 11.719 -0.146 1.00 0.00 O ATOM 0 H GLU A 4 -6.000 7.101 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.419 9.602 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.758 8.583 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.732 9.922 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.788 10.998 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.098 9.909 -1.671 1.00 0.00 H new ATOM 60 N GLN A 5 -3.317 8.720 -0.253 1.00 0.00 N ATOM 61 CA GLN A 5 -1.955 9.033 0.266 1.00 0.00 C ATOM 62 C GLN A 5 -0.891 8.430 -0.653 1.00 0.00 C ATOM 63 O GLN A 5 0.236 8.886 -0.692 1.00 0.00 O ATOM 64 CB GLN A 5 -1.801 8.449 1.672 1.00 0.00 C ATOM 65 CG GLN A 5 -2.446 9.390 2.691 1.00 0.00 C ATOM 66 CD GLN A 5 -2.129 8.907 4.106 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.475 7.896 4.284 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.564 9.589 5.129 1.00 0.00 N ATOM 0 H GLN A 5 -3.795 7.951 0.216 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.826 10.115 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.269 7.466 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.745 8.311 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.074 10.405 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.525 9.422 2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.112 10.436 4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.356 9.275 6.077 1.00 0.00 H new ATOM 77 N CYS A 6 -1.230 7.409 -1.390 1.00 0.00 N ATOM 78 CA CYS A 6 -0.228 6.780 -2.296 1.00 0.00 C ATOM 79 C CYS A 6 -0.297 7.437 -3.679 1.00 0.00 C ATOM 80 O CYS A 6 0.713 7.730 -4.284 1.00 0.00 O ATOM 81 CB CYS A 6 -0.518 5.282 -2.416 1.00 0.00 C ATOM 82 SG CYS A 6 -0.448 4.516 -0.775 1.00 0.00 S ATOM 0 H CYS A 6 -2.157 6.983 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 6 0.772 6.921 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.501 5.126 -2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.209 4.813 -3.079 1.00 0.00 H new ATOM 87 N CYS A 7 -1.478 7.664 -4.188 1.00 0.00 N ATOM 88 CA CYS A 7 -1.597 8.294 -5.532 1.00 0.00 C ATOM 89 C CYS A 7 -1.522 9.814 -5.406 1.00 0.00 C ATOM 90 O CYS A 7 -0.828 10.472 -6.155 1.00 0.00 O ATOM 91 CB CYS A 7 -2.922 7.886 -6.176 1.00 0.00 C ATOM 92 SG CYS A 7 -3.075 8.676 -7.797 1.00 0.00 S ATOM 0 H CYS A 7 -2.363 7.441 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.774 7.953 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.968 6.802 -6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.755 8.179 -5.537 1.00 0.00 H new ATOM 97 N THR A 8 -2.220 10.383 -4.465 1.00 0.00 N ATOM 98 CA THR A 8 -2.164 11.859 -4.303 1.00 0.00 C ATOM 99 C THR A 8 -1.063 12.208 -3.304 1.00 0.00 C ATOM 100 O THR A 8 -1.123 13.210 -2.622 1.00 0.00 O ATOM 101 CB THR A 8 -3.509 12.369 -3.792 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.357 11.266 -3.501 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.151 13.235 -4.868 1.00 0.00 C ATOM 0 H THR A 8 -2.823 9.892 -3.805 1.00 0.00 H new ATOM 0 HA THR A 8 -1.948 12.329 -5.263 1.00 0.00 H new ATOM 0 HB THR A 8 -3.361 12.956 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.291 11.045 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.113 13.604 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.499 14.079 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.301 12.642 -5.770 1.00 0.00 H new ATOM 111 N SER A 9 -0.061 11.376 -3.221 1.00 0.00 N ATOM 112 CA SER A 9 1.059 11.625 -2.276 1.00 0.00 C ATOM 113 C SER A 9 2.050 10.465 -2.384 1.00 0.00 C ATOM 114 O SER A 9 1.988 9.669 -3.300 1.00 0.00 O ATOM 115 CB SER A 9 0.512 11.706 -0.850 1.00 0.00 C ATOM 116 OG SER A 9 -0.017 13.006 -0.617 1.00 0.00 O ATOM 0 H SER A 9 0.028 10.525 -3.776 1.00 0.00 H new ATOM 0 HA SER A 9 1.557 12.564 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.264 10.955 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.304 11.490 -0.133 1.00 0.00 H new ATOM 0 HG SER A 9 -0.349 13.380 -1.460 1.00 0.00 H new ATOM 122 N ILE A 10 2.966 10.356 -1.463 1.00 0.00 N ATOM 123 CA ILE A 10 3.951 9.241 -1.531 1.00 0.00 C ATOM 124 C ILE A 10 3.610 8.200 -0.464 1.00 0.00 C ATOM 125 O ILE A 10 3.072 8.518 0.577 1.00 0.00 O ATOM 126 CB ILE A 10 5.354 9.794 -1.280 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.804 10.587 -2.512 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.324 8.640 -1.022 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.169 9.621 -3.638 1.00 0.00 C ATOM 0 H ILE A 10 3.075 10.988 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 10 3.915 8.775 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 10 5.343 10.448 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.007 11.256 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.662 11.211 -2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.323 9.038 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.996 8.077 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.345 7.982 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.489 10.187 -4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.980 8.970 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.299 9.016 -3.895 1.00 0.00 H new ATOM 141 N CYS A 11 3.916 6.953 -0.715 1.00 0.00 N ATOM 142 CA CYS A 11 3.600 5.900 0.290 1.00 0.00 C ATOM 143 C CYS A 11 4.850 5.067 0.584 1.00 0.00 C ATOM 144 O CYS A 11 5.828 5.121 -0.136 1.00 0.00 O ATOM 145 CB CYS A 11 2.497 4.991 -0.255 1.00 0.00 C ATOM 146 SG CYS A 11 0.883 5.636 0.253 1.00 0.00 S ATOM 0 H CYS A 11 4.368 6.622 -1.567 1.00 0.00 H new ATOM 0 HA CYS A 11 3.262 6.374 1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.555 4.941 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.629 3.976 0.118 1.00 0.00 H new ATOM 151 N SER A 12 4.824 4.300 1.638 1.00 0.00 N ATOM 152 CA SER A 12 6.008 3.464 1.984 1.00 0.00 C ATOM 153 C SER A 12 5.643 1.983 1.883 1.00 0.00 C ATOM 154 O SER A 12 4.531 1.584 2.166 1.00 0.00 O ATOM 155 CB SER A 12 6.461 3.785 3.409 1.00 0.00 C ATOM 156 OG SER A 12 5.376 4.358 4.128 1.00 0.00 O ATOM 0 H SER A 12 4.033 4.216 2.276 1.00 0.00 H new ATOM 0 HA SER A 12 6.818 3.681 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.804 2.878 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.304 4.476 3.388 1.00 0.00 H new ATOM 0 HG SER A 12 5.662 4.564 5.043 1.00 0.00 H new ATOM 162 N LEU A 13 6.577 1.168 1.476 1.00 0.00 N ATOM 163 CA LEU A 13 6.294 -0.286 1.343 1.00 0.00 C ATOM 164 C LEU A 13 5.601 -0.800 2.608 1.00 0.00 C ATOM 165 O LEU A 13 4.784 -1.696 2.557 1.00 0.00 O ATOM 166 CB LEU A 13 7.609 -1.042 1.146 1.00 0.00 C ATOM 167 CG LEU A 13 7.437 -2.089 0.046 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.100 -1.591 -1.240 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.098 -3.399 0.482 1.00 0.00 C ATOM 0 H LEU A 13 7.526 1.449 1.230 1.00 0.00 H new ATOM 0 HA LEU A 13 5.642 -0.447 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.404 -0.346 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.907 -1.524 2.077 1.00 0.00 H new ATOM 0 HG LEU A 13 6.375 -2.257 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.978 -2.337 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.633 -0.657 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.162 -1.424 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.976 -4.147 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.160 -3.229 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.629 -3.755 1.399 1.00 0.00 H new ATOM 181 N TYR A 14 5.922 -0.240 3.740 1.00 0.00 N ATOM 182 CA TYR A 14 5.285 -0.701 5.005 1.00 0.00 C ATOM 183 C TYR A 14 3.768 -0.563 4.896 1.00 0.00 C ATOM 184 O TYR A 14 3.042 -1.537 4.954 1.00 0.00 O ATOM 185 CB TYR A 14 5.794 0.156 6.172 1.00 0.00 C ATOM 186 CG TYR A 14 6.108 -0.724 7.361 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.097 -1.499 7.945 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.410 -0.764 7.882 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.388 -2.316 9.047 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.700 -1.581 8.982 1.00 0.00 C ATOM 191 CZ TYR A 14 6.690 -2.356 9.563 1.00 0.00 C ATOM 192 OH TYR A 14 6.975 -3.160 10.648 1.00 0.00 O ATOM 0 H TYR A 14 6.598 0.517 3.844 1.00 0.00 H new ATOM 0 HA TYR A 14 5.540 -1.746 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.686 0.704 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.042 0.896 6.445 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.094 -1.467 7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.189 -0.165 7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.609 -2.914 9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.703 -1.613 9.382 1.00 0.00 H new ATOM 0 HH TYR A 14 7.923 -3.073 10.880 1.00 0.00 H new ATOM 202 N GLN A 15 3.281 0.634 4.737 1.00 0.00 N ATOM 203 CA GLN A 15 1.794 0.808 4.627 1.00 0.00 C ATOM 204 C GLN A 15 1.293 0.045 3.401 1.00 0.00 C ATOM 205 O GLN A 15 0.183 -0.448 3.371 1.00 0.00 O ATOM 206 CB GLN A 15 1.399 2.295 4.484 1.00 0.00 C ATOM 207 CG GLN A 15 1.663 3.052 5.796 1.00 0.00 C ATOM 208 CD GLN A 15 1.245 2.190 6.990 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.035 1.423 7.506 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.030 2.286 7.455 1.00 0.00 N ATOM 0 H GLN A 15 3.831 1.491 4.678 1.00 0.00 H new ATOM 0 HA GLN A 15 1.341 0.422 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.967 2.752 3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.345 2.373 4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.720 3.306 5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.108 3.990 5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.632 2.929 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.258 1.718 8.252 1.00 0.00 H new ATOM 219 N LEU A 16 2.101 -0.048 2.379 1.00 0.00 N ATOM 220 CA LEU A 16 1.672 -0.757 1.155 1.00 0.00 C ATOM 221 C LEU A 16 1.667 -2.269 1.384 1.00 0.00 C ATOM 222 O LEU A 16 0.779 -2.964 0.928 1.00 0.00 O ATOM 223 CB LEU A 16 2.632 -0.413 0.019 1.00 0.00 C ATOM 224 CG LEU A 16 1.875 -0.484 -1.296 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.777 0.580 -1.311 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.841 -0.247 -2.460 1.00 0.00 C ATOM 0 H LEU A 16 3.043 0.341 2.346 1.00 0.00 H new ATOM 0 HA LEU A 16 0.660 -0.444 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.046 0.585 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.471 -1.108 0.010 1.00 0.00 H new ATOM 0 HG LEU A 16 1.423 -1.470 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.234 0.529 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.088 0.403 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.226 1.568 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.295 -0.299 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.298 0.737 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.618 -1.011 -2.449 1.00 0.00 H new ATOM 238 N GLU A 17 2.633 -2.800 2.084 1.00 0.00 N ATOM 239 CA GLU A 17 2.629 -4.271 2.311 1.00 0.00 C ATOM 240 C GLU A 17 1.564 -4.609 3.354 1.00 0.00 C ATOM 241 O GLU A 17 1.237 -5.759 3.574 1.00 0.00 O ATOM 242 CB GLU A 17 3.999 -4.734 2.802 1.00 0.00 C ATOM 243 CG GLU A 17 4.623 -5.667 1.764 1.00 0.00 C ATOM 244 CD GLU A 17 4.983 -6.999 2.426 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.152 -7.010 3.633 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.083 -7.983 1.714 1.00 0.00 O ATOM 0 H GLU A 17 3.411 -2.289 2.501 1.00 0.00 H new ATOM 0 HA GLU A 17 2.406 -4.782 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.647 -3.874 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.900 -5.250 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.925 -5.833 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.515 -5.208 1.337 1.00 0.00 H new ATOM 253 N ASN A 18 1.010 -3.613 3.992 1.00 0.00 N ATOM 254 CA ASN A 18 -0.042 -3.874 5.010 1.00 0.00 C ATOM 255 C ASN A 18 -1.325 -4.307 4.302 1.00 0.00 C ATOM 256 O ASN A 18 -2.247 -4.807 4.914 1.00 0.00 O ATOM 257 CB ASN A 18 -0.307 -2.599 5.812 1.00 0.00 C ATOM 258 CG ASN A 18 0.227 -2.768 7.236 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.246 -3.395 7.443 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.425 -2.233 8.232 1.00 0.00 N ATOM 0 H ASN A 18 1.242 -2.630 3.850 1.00 0.00 H new ATOM 0 HA ASN A 18 0.289 -4.662 5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.175 -1.748 5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.376 -2.388 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.079 -2.341 9.185 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.281 -1.706 8.057 1.00 0.00 H new ATOM 267 N TYR A 19 -1.390 -4.114 3.012 1.00 0.00 N ATOM 268 CA TYR A 19 -2.611 -4.514 2.261 1.00 0.00 C ATOM 269 C TYR A 19 -2.508 -5.988 1.874 1.00 0.00 C ATOM 270 O TYR A 19 -3.467 -6.592 1.435 1.00 0.00 O ATOM 271 CB TYR A 19 -2.737 -3.654 1.000 1.00 0.00 C ATOM 272 CG TYR A 19 -3.419 -2.355 1.360 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.899 -1.552 2.384 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.578 -1.960 0.679 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.542 -0.356 2.731 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.218 -0.761 1.022 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.699 0.039 2.050 1.00 0.00 C ATOM 278 OH TYR A 19 -5.338 1.214 2.395 1.00 0.00 O ATOM 0 H TYR A 19 -0.650 -3.697 2.448 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.492 -4.367 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.752 -3.458 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.311 -4.183 0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.003 -1.855 2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.978 -2.579 -0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.145 0.261 3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.109 -0.454 0.495 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.124 1.339 1.823 1.00 0.00 H new ATOM 288 N CYS A 20 -1.356 -6.575 2.041 1.00 0.00 N ATOM 289 CA CYS A 20 -1.198 -8.012 1.689 1.00 0.00 C ATOM 290 C CYS A 20 -2.384 -8.800 2.251 1.00 0.00 C ATOM 291 O CYS A 20 -2.821 -8.570 3.361 1.00 0.00 O ATOM 292 CB CYS A 20 0.101 -8.547 2.297 1.00 0.00 C ATOM 293 SG CYS A 20 1.195 -9.122 0.975 1.00 0.00 S ATOM 0 H CYS A 20 -0.518 -6.122 2.406 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.163 -8.122 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.593 -7.765 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.117 -9.364 2.985 1.00 0.00 H new ATOM 298 N ASN A 21 -2.908 -9.724 1.496 1.00 0.00 N ATOM 299 CA ASN A 21 -4.065 -10.519 1.993 1.00 0.00 C ATOM 300 C ASN A 21 -5.228 -9.578 2.313 1.00 0.00 C ATOM 301 O ASN A 21 -6.083 -9.966 3.092 1.00 0.00 O ATOM 302 CB ASN A 21 -3.660 -11.274 3.261 1.00 0.00 C ATOM 303 CG ASN A 21 -2.496 -12.215 2.944 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.230 -12.504 1.795 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.786 -12.707 3.922 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.245 -8.484 1.770 1.00 0.00 O ATOM 0 H ASN A 21 -2.586 -9.963 0.558 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.371 -11.232 1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.370 -10.569 4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.507 -11.842 3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.007 -13.335 3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.010 -12.464 4.887 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.772 1.990 -1.762 1.00 0.00 N ATOM 315 CA PHE B 1 11.233 1.960 -1.449 1.00 0.00 C ATOM 316 C PHE B 1 11.781 3.386 -1.456 1.00 0.00 C ATOM 317 O PHE B 1 12.604 3.752 -0.640 1.00 0.00 O ATOM 318 CB PHE B 1 11.990 1.122 -2.494 1.00 0.00 C ATOM 319 CG PHE B 1 11.029 0.539 -3.509 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.353 -0.655 -3.229 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.815 1.195 -4.729 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.463 -1.193 -4.167 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.926 0.658 -5.667 1.00 0.00 C ATOM 324 CZ PHE B 1 9.249 -0.536 -5.385 1.00 0.00 C ATOM 0 H1 PHE B 1 9.274 1.302 -1.162 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.398 2.943 -1.580 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.626 1.746 -2.762 1.00 0.00 H new ATOM 0 HA PHE B 1 11.373 1.510 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.729 1.743 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.535 0.319 -1.998 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.518 -1.161 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.337 2.116 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.942 -2.114 -3.951 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.762 1.163 -6.607 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.561 -0.950 -6.108 1.00 0.00 H new ATOM 336 N VAL B 2 11.332 4.198 -2.374 1.00 0.00 N ATOM 337 CA VAL B 2 11.827 5.600 -2.439 1.00 0.00 C ATOM 338 C VAL B 2 10.785 6.461 -3.162 1.00 0.00 C ATOM 339 O VAL B 2 10.544 6.291 -4.341 1.00 0.00 O ATOM 340 CB VAL B 2 13.170 5.633 -3.195 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.216 4.503 -4.227 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.339 6.972 -3.914 1.00 0.00 C ATOM 0 H VAL B 2 10.642 3.949 -3.083 1.00 0.00 H new ATOM 0 HA VAL B 2 11.981 5.993 -1.434 1.00 0.00 H new ATOM 0 HB VAL B 2 13.977 5.505 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.168 4.533 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.113 3.543 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.400 4.627 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.291 6.983 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.525 7.108 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.321 7.782 -3.184 1.00 0.00 H new ATOM 352 N ASN B 3 10.169 7.384 -2.465 1.00 0.00 N ATOM 353 CA ASN B 3 9.145 8.253 -3.116 1.00 0.00 C ATOM 354 C ASN B 3 8.284 7.394 -4.041 1.00 0.00 C ATOM 355 O ASN B 3 8.373 7.484 -5.248 1.00 0.00 O ATOM 356 CB ASN B 3 9.842 9.344 -3.930 1.00 0.00 C ATOM 357 CG ASN B 3 9.715 10.685 -3.206 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.192 10.837 -2.097 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.086 11.670 -3.787 1.00 0.00 N ATOM 0 H ASN B 3 10.332 7.572 -1.476 1.00 0.00 H new ATOM 0 HA ASN B 3 8.518 8.720 -2.356 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.893 9.092 -4.069 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.397 9.412 -4.923 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.994 12.568 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.686 11.542 -4.717 1.00 0.00 H new ATOM 366 N GLN B 4 7.470 6.541 -3.482 1.00 0.00 N ATOM 367 CA GLN B 4 6.632 5.654 -4.336 1.00 0.00 C ATOM 368 C GLN B 4 5.355 6.368 -4.783 1.00 0.00 C ATOM 369 O GLN B 4 4.468 6.631 -3.992 1.00 0.00 O ATOM 370 CB GLN B 4 6.239 4.403 -3.544 1.00 0.00 C ATOM 371 CG GLN B 4 6.740 3.139 -4.252 1.00 0.00 C ATOM 372 CD GLN B 4 6.498 3.246 -5.761 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.393 3.499 -6.197 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.494 3.059 -6.585 1.00 0.00 N ATOM 0 H GLN B 4 7.349 6.420 -2.476 1.00 0.00 H new ATOM 0 HA GLN B 4 7.215 5.383 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.659 4.455 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.155 4.360 -3.435 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.803 3.001 -4.056 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.226 2.263 -3.855 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.423 2.846 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.343 3.126 -7.592 1.00 0.00 H new ATOM 383 N HIS B 5 5.234 6.633 -6.055 1.00 0.00 N ATOM 384 CA HIS B 5 3.999 7.270 -6.577 1.00 0.00 C ATOM 385 C HIS B 5 3.090 6.132 -7.040 1.00 0.00 C ATOM 386 O HIS B 5 3.444 5.368 -7.917 1.00 0.00 O ATOM 387 CB HIS B 5 4.340 8.182 -7.757 1.00 0.00 C ATOM 388 CG HIS B 5 4.393 9.610 -7.291 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.362 10.169 -6.568 1.00 0.00 N ATOM 390 CD2 HIS B 5 5.351 10.573 -7.447 1.00 0.00 C ATOM 391 CE1 HIS B 5 3.715 11.435 -6.308 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.925 11.729 -6.826 1.00 0.00 N ATOM 0 H HIS B 5 5.945 6.433 -6.758 1.00 0.00 H new ATOM 0 HA HIS B 5 3.514 7.879 -5.815 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.299 7.893 -8.188 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.592 8.073 -8.542 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.288 10.449 -7.970 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.106 12.133 -5.753 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.421 12.619 -6.770 1.00 0.00 H new ATOM 400 N LEU B 6 1.949 5.973 -6.438 1.00 0.00 N ATOM 401 CA LEU B 6 1.068 4.837 -6.829 1.00 0.00 C ATOM 402 C LEU B 6 -0.304 5.341 -7.273 1.00 0.00 C ATOM 403 O LEU B 6 -1.032 5.943 -6.509 1.00 0.00 O ATOM 404 CB LEU B 6 0.894 3.910 -5.626 1.00 0.00 C ATOM 405 CG LEU B 6 2.116 2.997 -5.485 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.261 3.748 -4.807 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.745 1.794 -4.625 1.00 0.00 C ATOM 0 H LEU B 6 1.588 6.574 -5.697 1.00 0.00 H new ATOM 0 HA LEU B 6 1.529 4.304 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.764 4.499 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.007 3.309 -5.747 1.00 0.00 H new ATOM 0 HG LEU B 6 2.432 2.674 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.123 3.088 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.532 4.616 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.945 4.076 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.611 1.140 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.427 2.135 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.931 1.245 -5.099 1.00 0.00 H new ATOM 419 N CYS B 7 -0.672 5.084 -8.497 1.00 0.00 N ATOM 420 CA CYS B 7 -2.005 5.541 -8.978 1.00 0.00 C ATOM 421 C CYS B 7 -2.656 4.441 -9.821 1.00 0.00 C ATOM 422 O CYS B 7 -2.378 4.295 -10.995 1.00 0.00 O ATOM 423 CB CYS B 7 -1.837 6.804 -9.823 1.00 0.00 C ATOM 424 SG CYS B 7 -1.364 8.184 -8.751 1.00 0.00 S ATOM 0 H CYS B 7 -0.110 4.579 -9.183 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.642 5.760 -8.121 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.076 6.645 -10.587 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.767 7.034 -10.342 1.00 0.00 H new HETATM 429 N DAL B 8 -3.529 3.673 -9.229 1.00 0.00 N HETATM 430 CA DAL B 8 -4.214 2.586 -9.989 1.00 0.00 C HETATM 431 CB DAL B 8 -5.058 1.746 -9.028 1.00 0.00 C HETATM 432 C DAL B 8 -3.176 1.689 -10.675 1.00 0.00 C HETATM 433 O DAL B 8 -2.579 0.829 -10.060 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.413 1.306 -8.267 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.804 2.380 -8.549 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.559 0.952 -9.582 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.857 3.032 -10.748 1.00 0.00 H new HETATM 0 H DAL B 8 -3.669 3.757 -8.222 1.00 0.00 H new ATOM 439 N SER B 9 -2.974 1.883 -11.952 1.00 0.00 N ATOM 440 CA SER B 9 -1.995 1.051 -12.707 1.00 0.00 C ATOM 441 C SER B 9 -0.754 0.793 -11.852 1.00 0.00 C ATOM 442 O SER B 9 -0.263 -0.314 -11.783 1.00 0.00 O ATOM 443 CB SER B 9 -1.587 1.784 -13.985 1.00 0.00 C ATOM 444 OG SER B 9 -0.718 2.859 -13.654 1.00 0.00 O ATOM 0 H SER B 9 -3.452 2.591 -12.509 1.00 0.00 H new ATOM 0 HA SER B 9 -2.458 0.097 -12.959 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.089 1.096 -14.669 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.471 2.161 -14.499 1.00 0.00 H new ATOM 0 HG SER B 9 0.191 2.517 -13.524 1.00 0.00 H new ATOM 450 N ASP B 10 -0.250 1.798 -11.191 1.00 0.00 N ATOM 451 CA ASP B 10 0.952 1.585 -10.337 1.00 0.00 C ATOM 452 C ASP B 10 0.493 1.051 -8.989 1.00 0.00 C ATOM 453 O ASP B 10 1.168 0.275 -8.346 1.00 0.00 O ATOM 454 CB ASP B 10 1.698 2.907 -10.135 1.00 0.00 C ATOM 455 CG ASP B 10 1.474 3.814 -11.345 1.00 0.00 C ATOM 456 OD1 ASP B 10 1.372 3.292 -12.444 1.00 0.00 O ATOM 457 OD2 ASP B 10 1.407 5.018 -11.153 1.00 0.00 O ATOM 0 H ASP B 10 -0.615 2.750 -11.204 1.00 0.00 H new ATOM 0 HA ASP B 10 1.625 0.876 -10.819 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.346 3.400 -9.229 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.763 2.718 -10.002 1.00 0.00 H new ATOM 462 N LEU B 11 -0.670 1.453 -8.573 1.00 0.00 N ATOM 463 CA LEU B 11 -1.209 0.969 -7.278 1.00 0.00 C ATOM 464 C LEU B 11 -1.098 -0.552 -7.253 1.00 0.00 C ATOM 465 O LEU B 11 -0.481 -1.134 -6.383 1.00 0.00 O ATOM 466 CB LEU B 11 -2.686 1.355 -7.176 1.00 0.00 C ATOM 467 CG LEU B 11 -2.954 2.177 -5.905 1.00 0.00 C ATOM 468 CD1 LEU B 11 -2.201 1.572 -4.723 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.494 3.623 -6.097 1.00 0.00 C ATOM 0 H LEU B 11 -1.275 2.101 -9.078 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.654 1.408 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.976 1.932 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.301 0.455 -7.168 1.00 0.00 H new ATOM 0 HG LEU B 11 -4.026 2.161 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.397 2.161 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.536 0.547 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.131 1.575 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.691 4.191 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.425 3.639 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.037 4.070 -6.929 1.00 0.00 H new ATOM 481 N VAL B 12 -1.700 -1.193 -8.216 1.00 0.00 N ATOM 482 CA VAL B 12 -1.651 -2.676 -8.285 1.00 0.00 C ATOM 483 C VAL B 12 -0.223 -3.116 -8.613 1.00 0.00 C ATOM 484 O VAL B 12 0.329 -3.994 -7.978 1.00 0.00 O ATOM 485 CB VAL B 12 -2.603 -3.148 -9.382 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.903 -4.631 -9.199 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.905 -2.355 -9.294 1.00 0.00 C ATOM 0 H VAL B 12 -2.229 -0.746 -8.965 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.950 -3.109 -7.330 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.140 -2.991 -10.356 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.583 -4.964 -9.983 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.975 -5.200 -9.257 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.366 -4.791 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.588 -2.689 -10.075 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.364 -2.516 -8.318 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.694 -1.294 -9.425 1.00 0.00 H new ATOM 497 N GLU B 13 0.380 -2.510 -9.600 1.00 0.00 N ATOM 498 CA GLU B 13 1.774 -2.887 -9.967 1.00 0.00 C ATOM 499 C GLU B 13 2.660 -2.798 -8.728 1.00 0.00 C ATOM 500 O GLU B 13 3.638 -3.509 -8.595 1.00 0.00 O ATOM 501 CB GLU B 13 2.296 -1.924 -11.032 1.00 0.00 C ATOM 502 CG GLU B 13 2.569 -2.695 -12.327 1.00 0.00 C ATOM 503 CD GLU B 13 1.382 -2.531 -13.279 1.00 0.00 C ATOM 504 OE1 GLU B 13 1.299 -1.494 -13.916 1.00 0.00 O ATOM 505 OE2 GLU B 13 0.579 -3.446 -13.354 1.00 0.00 O ATOM 0 H GLU B 13 -0.033 -1.770 -10.168 1.00 0.00 H new ATOM 0 HA GLU B 13 1.788 -3.905 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.566 -1.135 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.209 -1.441 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.480 -2.325 -12.798 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.729 -3.751 -12.107 1.00 0.00 H new ATOM 512 N ALA B 14 2.323 -1.928 -7.817 1.00 0.00 N ATOM 513 CA ALA B 14 3.133 -1.789 -6.579 1.00 0.00 C ATOM 514 C ALA B 14 2.851 -2.979 -5.668 1.00 0.00 C ATOM 515 O ALA B 14 3.729 -3.759 -5.356 1.00 0.00 O ATOM 516 CB ALA B 14 2.743 -0.497 -5.866 1.00 0.00 C ATOM 0 H ALA B 14 1.517 -1.305 -7.879 1.00 0.00 H new ATOM 0 HA ALA B 14 4.194 -1.759 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.335 -0.390 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.931 0.352 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.684 -0.529 -5.608 1.00 0.00 H new ATOM 522 N LEU B 15 1.624 -3.136 -5.254 1.00 0.00 N ATOM 523 CA LEU B 15 1.277 -4.287 -4.378 1.00 0.00 C ATOM 524 C LEU B 15 1.809 -5.565 -5.027 1.00 0.00 C ATOM 525 O LEU B 15 2.051 -6.558 -4.369 1.00 0.00 O ATOM 526 CB LEU B 15 -0.243 -4.370 -4.233 1.00 0.00 C ATOM 527 CG LEU B 15 -0.765 -3.051 -3.644 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.268 -2.903 -3.914 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.522 -3.040 -2.133 1.00 0.00 C ATOM 0 H LEU B 15 0.848 -2.516 -5.485 1.00 0.00 H new ATOM 0 HA LEU B 15 1.721 -4.162 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.704 -4.557 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.514 -5.204 -3.586 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.237 -2.222 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.623 -1.963 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.447 -2.907 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.804 -3.734 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.891 -2.105 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.047 -3.877 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.546 -3.130 -1.936 1.00 0.00 H new ATOM 541 N TYR B 16 2.003 -5.538 -6.319 1.00 0.00 N ATOM 542 CA TYR B 16 2.530 -6.738 -7.024 1.00 0.00 C ATOM 543 C TYR B 16 3.984 -6.961 -6.604 1.00 0.00 C ATOM 544 O TYR B 16 4.331 -7.985 -6.053 1.00 0.00 O ATOM 545 CB TYR B 16 2.465 -6.505 -8.536 1.00 0.00 C ATOM 546 CG TYR B 16 2.222 -7.818 -9.241 1.00 0.00 C ATOM 547 CD1 TYR B 16 3.158 -8.854 -9.133 1.00 0.00 C ATOM 548 CD2 TYR B 16 1.064 -7.998 -10.011 1.00 0.00 C ATOM 549 CE1 TYR B 16 2.937 -10.072 -9.790 1.00 0.00 C ATOM 550 CE2 TYR B 16 0.843 -9.213 -10.670 1.00 0.00 C ATOM 551 CZ TYR B 16 1.779 -10.251 -10.558 1.00 0.00 C ATOM 552 OH TYR B 16 1.559 -11.448 -11.208 1.00 0.00 O ATOM 0 H TYR B 16 1.818 -4.732 -6.917 1.00 0.00 H new ATOM 0 HA TYR B 16 1.934 -7.613 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.667 -5.801 -8.772 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.396 -6.060 -8.886 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.051 -8.714 -8.543 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.342 -7.199 -10.096 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.658 -10.871 -9.704 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.048 -9.351 -11.264 1.00 0.00 H new ATOM 0 HH TYR B 16 0.709 -11.405 -11.694 1.00 0.00 H new ATOM 562 N LEU B 17 4.837 -6.004 -6.854 1.00 0.00 N ATOM 563 CA LEU B 17 6.264 -6.160 -6.457 1.00 0.00 C ATOM 564 C LEU B 17 6.361 -6.122 -4.933 1.00 0.00 C ATOM 565 O LEU B 17 7.213 -6.748 -4.335 1.00 0.00 O ATOM 566 CB LEU B 17 7.088 -5.016 -7.052 1.00 0.00 C ATOM 567 CG LEU B 17 8.084 -5.580 -8.066 1.00 0.00 C ATOM 568 CD1 LEU B 17 7.718 -5.090 -9.467 1.00 0.00 C ATOM 569 CD2 LEU B 17 9.496 -5.103 -7.711 1.00 0.00 C ATOM 0 H LEU B 17 4.607 -5.124 -7.315 1.00 0.00 H new ATOM 0 HA LEU B 17 6.650 -7.110 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.431 -4.293 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.619 -4.486 -6.261 1.00 0.00 H new ATOM 0 HG LEU B 17 8.050 -6.669 -8.042 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.428 -5.492 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.713 -5.427 -9.719 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.752 -4.001 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.208 -5.504 -8.433 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.529 -4.014 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.757 -5.451 -6.712 1.00 0.00 H new ATOM 581 N VAL B 18 5.482 -5.395 -4.299 1.00 0.00 N ATOM 582 CA VAL B 18 5.506 -5.317 -2.813 1.00 0.00 C ATOM 583 C VAL B 18 4.990 -6.632 -2.234 1.00 0.00 C ATOM 584 O VAL B 18 5.654 -7.285 -1.453 1.00 0.00 O ATOM 585 CB VAL B 18 4.602 -4.172 -2.353 1.00 0.00 C ATOM 586 CG1 VAL B 18 4.851 -3.878 -0.874 1.00 0.00 C ATOM 587 CG2 VAL B 18 4.907 -2.920 -3.177 1.00 0.00 C ATOM 0 H VAL B 18 4.746 -4.850 -4.749 1.00 0.00 H new ATOM 0 HA VAL B 18 6.525 -5.139 -2.470 1.00 0.00 H new ATOM 0 HB VAL B 18 3.560 -4.459 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.205 -3.062 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.633 -4.768 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.893 -3.594 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.263 -2.103 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.950 -2.638 -3.037 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.725 -3.125 -4.232 1.00 0.00 H new ATOM 597 N CYS B 19 3.807 -7.027 -2.615 1.00 0.00 N ATOM 598 CA CYS B 19 3.240 -8.299 -2.096 1.00 0.00 C ATOM 599 C CYS B 19 3.435 -9.402 -3.138 1.00 0.00 C ATOM 600 O CYS B 19 3.957 -10.461 -2.849 1.00 0.00 O ATOM 601 CB CYS B 19 1.747 -8.113 -1.821 1.00 0.00 C ATOM 602 SG CYS B 19 1.519 -7.472 -0.145 1.00 0.00 S ATOM 0 H CYS B 19 3.208 -6.520 -3.266 1.00 0.00 H new ATOM 0 HA CYS B 19 3.747 -8.578 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.315 -7.424 -2.547 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.224 -9.063 -1.933 1.00 0.00 H new ATOM 607 N GLY B 20 3.019 -9.159 -4.352 1.00 0.00 N ATOM 608 CA GLY B 20 3.183 -10.190 -5.417 1.00 0.00 C ATOM 609 C GLY B 20 2.103 -11.261 -5.266 1.00 0.00 C ATOM 610 O GLY B 20 0.970 -10.976 -4.927 1.00 0.00 O ATOM 0 H GLY B 20 2.573 -8.292 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.113 -9.725 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.172 -10.644 -5.348 1.00 0.00 H new ATOM 614 N GLU B 21 2.446 -12.492 -5.519 1.00 0.00 N ATOM 615 CA GLU B 21 1.447 -13.588 -5.399 1.00 0.00 C ATOM 616 C GLU B 21 1.006 -13.732 -3.941 1.00 0.00 C ATOM 617 O GLU B 21 0.082 -14.456 -3.633 1.00 0.00 O ATOM 618 CB GLU B 21 2.076 -14.898 -5.874 1.00 0.00 C ATOM 619 CG GLU B 21 3.427 -15.092 -5.183 1.00 0.00 C ATOM 620 CD GLU B 21 3.487 -16.488 -4.556 1.00 0.00 C ATOM 621 OE1 GLU B 21 2.494 -16.898 -3.979 1.00 0.00 O ATOM 622 OE2 GLU B 21 4.525 -17.119 -4.663 1.00 0.00 O ATOM 0 H GLU B 21 3.380 -12.787 -5.805 1.00 0.00 H new ATOM 0 HA GLU B 21 0.578 -13.354 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.415 -15.735 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.208 -14.880 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.236 -14.971 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.567 -14.331 -4.415 1.00 0.00 H new ATOM 629 N ARG B 22 1.656 -13.047 -3.039 1.00 0.00 N ATOM 630 CA ARG B 22 1.263 -13.150 -1.604 1.00 0.00 C ATOM 631 C ARG B 22 -0.240 -12.918 -1.481 1.00 0.00 C ATOM 632 O ARG B 22 -0.868 -13.335 -0.527 1.00 0.00 O ATOM 633 CB ARG B 22 2.012 -12.098 -0.782 1.00 0.00 C ATOM 634 CG ARG B 22 3.474 -12.518 -0.620 1.00 0.00 C ATOM 635 CD ARG B 22 3.721 -12.956 0.824 1.00 0.00 C ATOM 636 NE ARG B 22 5.073 -12.500 1.256 1.00 0.00 N ATOM 637 CZ ARG B 22 5.829 -13.289 1.971 1.00 0.00 C ATOM 638 NH1 ARG B 22 5.944 -14.550 1.651 1.00 0.00 N ATOM 639 NH2 ARG B 22 6.471 -12.817 3.004 1.00 0.00 N ATOM 0 H ARG B 22 2.439 -12.423 -3.233 1.00 0.00 H new ATOM 0 HA ARG B 22 1.516 -14.141 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.954 -11.128 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.545 -11.986 0.196 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.707 -13.334 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.133 -11.689 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.957 -12.536 1.479 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.648 -14.041 0.904 1.00 0.00 H new ATOM 0 HE ARG B 22 5.407 -11.573 0.993 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.443 -14.919 0.842 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.535 -15.166 2.210 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.382 -11.832 3.253 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.062 -13.433 3.563 1.00 0.00 H new ATOM 653 N GLY B 23 -0.823 -12.258 -2.441 1.00 0.00 N ATOM 654 CA GLY B 23 -2.289 -12.000 -2.383 1.00 0.00 C ATOM 655 C GLY B 23 -2.545 -10.537 -2.001 1.00 0.00 C ATOM 656 O GLY B 23 -2.892 -10.234 -0.878 1.00 0.00 O ATOM 0 H GLY B 23 -0.348 -11.886 -3.264 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.744 -12.218 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.755 -12.663 -1.654 1.00 0.00 H new ATOM 660 N PHE B 24 -2.384 -9.621 -2.925 1.00 0.00 N ATOM 661 CA PHE B 24 -2.626 -8.186 -2.602 1.00 0.00 C ATOM 662 C PHE B 24 -3.866 -7.701 -3.354 1.00 0.00 C ATOM 663 O PHE B 24 -4.108 -8.075 -4.484 1.00 0.00 O ATOM 664 CB PHE B 24 -1.412 -7.337 -3.005 1.00 0.00 C ATOM 665 CG PHE B 24 -1.379 -7.153 -4.508 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.266 -6.258 -5.133 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.469 -7.886 -5.282 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.236 -6.102 -6.525 1.00 0.00 C ATOM 669 CE2 PHE B 24 -0.443 -7.729 -6.673 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.325 -6.838 -7.295 1.00 0.00 C ATOM 0 H PHE B 24 -2.096 -9.807 -3.886 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.783 -8.084 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.459 -6.365 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.494 -7.820 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.969 -5.692 -4.541 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.214 -8.573 -4.804 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.916 -5.414 -7.005 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.259 -8.296 -7.267 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.304 -6.718 -8.368 1.00 0.00 H new ATOM 680 N PHE B 25 -4.643 -6.866 -2.733 1.00 0.00 N ATOM 681 CA PHE B 25 -5.868 -6.341 -3.399 1.00 0.00 C ATOM 682 C PHE B 25 -6.220 -4.979 -2.802 1.00 0.00 C ATOM 683 O PHE B 25 -6.920 -4.887 -1.814 1.00 0.00 O ATOM 684 CB PHE B 25 -7.025 -7.312 -3.174 1.00 0.00 C ATOM 685 CG PHE B 25 -8.173 -6.954 -4.085 1.00 0.00 C ATOM 686 CD1 PHE B 25 -8.982 -5.849 -3.790 1.00 0.00 C ATOM 687 CD2 PHE B 25 -8.431 -7.729 -5.224 1.00 0.00 C ATOM 688 CE1 PHE B 25 -10.050 -5.518 -4.634 1.00 0.00 C ATOM 689 CE2 PHE B 25 -9.499 -7.397 -6.069 1.00 0.00 C ATOM 690 CZ PHE B 25 -10.308 -6.291 -5.774 1.00 0.00 C ATOM 0 H PHE B 25 -4.484 -6.520 -1.787 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.688 -6.236 -4.469 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.698 -8.334 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.348 -7.273 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.782 -5.252 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.807 -8.581 -5.450 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.675 -4.667 -4.406 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.698 -7.993 -6.947 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.130 -6.035 -6.425 1.00 0.00 H new ATOM 700 N TYR B 26 -5.740 -3.918 -3.392 1.00 0.00 N ATOM 701 CA TYR B 26 -6.048 -2.565 -2.851 1.00 0.00 C ATOM 702 C TYR B 26 -7.564 -2.342 -2.864 1.00 0.00 C ATOM 703 O TYR B 26 -8.310 -3.130 -3.411 1.00 0.00 O ATOM 704 CB TYR B 26 -5.340 -1.498 -3.701 1.00 0.00 C ATOM 705 CG TYR B 26 -6.147 -1.196 -4.944 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.747 -2.238 -5.662 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.302 0.130 -5.375 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.500 -1.956 -6.809 1.00 0.00 C ATOM 709 CE2 TYR B 26 -7.054 0.412 -6.521 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.654 -0.632 -7.239 1.00 0.00 C ATOM 711 OH TYR B 26 -8.398 -0.355 -8.369 1.00 0.00 O ATOM 0 H TYR B 26 -5.149 -3.930 -4.223 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.691 -2.489 -1.824 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.206 -0.588 -3.116 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.346 -1.847 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.629 -3.259 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.840 0.934 -4.822 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.962 -2.760 -7.362 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.172 1.433 -6.852 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.405 0.612 -8.527 1.00 0.00 H new ATOM 721 N THR B 27 -8.023 -1.279 -2.263 1.00 0.00 N ATOM 722 CA THR B 27 -9.489 -1.012 -2.239 1.00 0.00 C ATOM 723 C THR B 27 -9.921 -0.399 -3.573 1.00 0.00 C ATOM 724 O THR B 27 -9.440 0.643 -3.972 1.00 0.00 O ATOM 725 CB THR B 27 -9.811 -0.038 -1.103 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.619 0.267 -0.391 1.00 0.00 O ATOM 727 CG2 THR B 27 -10.825 -0.674 -0.153 1.00 0.00 C ATOM 0 H THR B 27 -7.447 -0.584 -1.788 1.00 0.00 H new ATOM 0 HA THR B 27 -10.025 -1.948 -2.080 1.00 0.00 H new ATOM 0 HB THR B 27 -10.232 0.878 -1.519 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.810 0.943 0.292 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.053 0.021 0.655 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.739 -0.907 -0.699 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.408 -1.591 0.264 1.00 0.00 H new ATOM 735 N LYS B 28 -10.827 -1.034 -4.263 1.00 0.00 N ATOM 736 CA LYS B 28 -11.291 -0.485 -5.568 1.00 0.00 C ATOM 737 C LYS B 28 -12.095 0.798 -5.325 1.00 0.00 C ATOM 738 O LYS B 28 -11.814 1.822 -5.916 1.00 0.00 O ATOM 739 CB LYS B 28 -12.171 -1.517 -6.276 1.00 0.00 C ATOM 740 CG LYS B 28 -11.709 -1.676 -7.728 1.00 0.00 C ATOM 741 CD LYS B 28 -12.930 -1.720 -8.648 1.00 0.00 C ATOM 742 CE LYS B 28 -12.471 -1.703 -10.107 1.00 0.00 C ATOM 743 NZ LYS B 28 -13.487 -2.389 -10.955 1.00 0.00 N ATOM 0 H LYS B 28 -11.266 -1.910 -3.980 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.428 -0.259 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.114 -2.475 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.214 -1.201 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.059 -0.847 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.125 -2.590 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.515 -2.618 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.579 -0.867 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.334 -0.676 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.506 -2.201 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.176 -2.378 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.597 -3.373 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.399 -1.895 -10.873 1.00 0.00 H new ATOM 757 N PRO B 29 -13.075 0.706 -4.461 1.00 0.00 N ATOM 758 CA PRO B 29 -13.939 1.848 -4.118 1.00 0.00 C ATOM 759 C PRO B 29 -13.233 2.770 -3.119 1.00 0.00 C ATOM 760 O PRO B 29 -12.630 3.758 -3.488 1.00 0.00 O ATOM 761 CB PRO B 29 -15.163 1.189 -3.477 1.00 0.00 C ATOM 762 CG PRO B 29 -14.700 -0.198 -2.972 1.00 0.00 C ATOM 763 CD PRO B 29 -13.413 -0.543 -3.745 1.00 0.00 C ATOM 0 HA PRO B 29 -14.193 2.468 -4.978 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.543 1.794 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.973 1.088 -4.200 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.513 -0.176 -1.898 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.470 -0.950 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.612 -0.845 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.574 -1.369 -4.438 1.00 0.00 H new ATOM 771 N THR B 30 -13.302 2.451 -1.855 1.00 0.00 N ATOM 772 CA THR B 30 -12.637 3.307 -0.832 1.00 0.00 C ATOM 773 C THR B 30 -11.318 2.661 -0.408 1.00 0.00 C ATOM 774 O THR B 30 -10.305 2.976 -1.014 1.00 0.00 O ATOM 775 CB THR B 30 -13.553 3.449 0.388 1.00 0.00 C ATOM 776 OG1 THR B 30 -14.101 2.179 0.713 1.00 0.00 O ATOM 777 CG2 THR B 30 -14.682 4.430 0.068 1.00 0.00 C ATOM 778 OXT THR B 30 -11.340 1.864 0.515 1.00 0.00 O ATOM 0 H THR B 30 -13.790 1.635 -1.487 1.00 0.00 H new ATOM 0 HA THR B 30 -12.440 4.292 -1.254 1.00 0.00 H new ATOM 0 HB THR B 30 -12.979 3.825 1.235 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.379 1.520 0.783 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.333 4.531 0.936 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.259 5.403 -0.183 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.260 4.057 -0.778 1.00 0.00 H new TER 786 THR B 30