USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 381 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 5 GLN : amide:sc= -7.49! C(o=-11!,f=-22!) USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0.062 USER MOD Set 1.3: A 15 GLN : amide:sc= -3.45 K(o=-11,f=-23!) USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.0734 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.125 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0557 X(o=-0.056,f=-0.32) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.9!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc=-0.00928 X(o=-0.0093,f=-0.023) USER MOD Single : B 4 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.095) USER MOD Single : B 5 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-4.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 122:sc= -0.982 USER MOD Single : B 27 THR OG1 : rot 180:sc= -1.29! USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.646 5.701 1.965 1.00 0.00 N ATOM 2 CA GLY A 1 -7.332 4.719 0.887 1.00 0.00 C ATOM 3 C GLY A 1 -5.870 4.874 0.466 1.00 0.00 C ATOM 4 O GLY A 1 -5.258 5.901 0.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.602 5.227 2.890 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.954 6.477 1.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.602 6.084 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.514 3.704 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.987 4.881 0.031 1.00 0.00 H new ATOM 10 N ILE A 2 -5.301 3.864 -0.133 1.00 0.00 N ATOM 11 CA ILE A 2 -3.877 3.961 -0.562 1.00 0.00 C ATOM 12 C ILE A 2 -3.787 4.488 -1.998 1.00 0.00 C ATOM 13 O ILE A 2 -2.896 4.137 -2.745 1.00 0.00 O ATOM 14 CB ILE A 2 -3.333 2.535 -0.466 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.839 2.531 -0.861 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.155 1.602 -1.357 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.608 1.775 -2.176 1.00 0.00 C ATOM 0 H ILE A 2 -5.759 2.977 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.305 4.652 0.058 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.417 2.171 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.486 3.557 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.253 2.069 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.761 0.588 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.195 1.612 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.095 1.940 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.547 1.792 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.938 0.742 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.175 2.253 -2.975 1.00 0.00 H new ATOM 29 N VAL A 3 -4.702 5.335 -2.386 1.00 0.00 N ATOM 30 CA VAL A 3 -4.671 5.890 -3.773 1.00 0.00 C ATOM 31 C VAL A 3 -4.179 7.340 -3.747 1.00 0.00 C ATOM 32 O VAL A 3 -4.036 7.976 -4.773 1.00 0.00 O ATOM 33 CB VAL A 3 -6.121 5.829 -4.271 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.142 5.836 -5.802 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.794 4.548 -3.771 1.00 0.00 C ATOM 0 H VAL A 3 -5.470 5.668 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.997 5.330 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.659 6.696 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.173 5.793 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.673 6.749 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.595 4.971 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.823 4.514 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.250 3.681 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.789 4.536 -2.681 1.00 0.00 H new ATOM 45 N GLU A 4 -3.940 7.875 -2.580 1.00 0.00 N ATOM 46 CA GLU A 4 -3.483 9.292 -2.488 1.00 0.00 C ATOM 47 C GLU A 4 -1.992 9.399 -2.124 1.00 0.00 C ATOM 48 O GLU A 4 -1.419 10.468 -2.186 1.00 0.00 O ATOM 49 CB GLU A 4 -4.349 9.901 -1.382 1.00 0.00 C ATOM 50 CG GLU A 4 -3.741 11.225 -0.917 1.00 0.00 C ATOM 51 CD GLU A 4 -4.860 12.234 -0.646 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.517 12.630 -1.595 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.041 12.595 0.506 1.00 0.00 O ATOM 0 H GLU A 4 -4.041 7.393 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.586 9.806 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.362 10.065 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.422 9.209 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.151 11.069 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.063 11.613 -1.677 1.00 0.00 H new ATOM 60 N GLN A 5 -1.350 8.330 -1.727 1.00 0.00 N ATOM 61 CA GLN A 5 0.093 8.463 -1.353 1.00 0.00 C ATOM 62 C GLN A 5 1.023 7.997 -2.493 1.00 0.00 C ATOM 63 O GLN A 5 1.995 8.659 -2.791 1.00 0.00 O ATOM 64 CB GLN A 5 0.276 7.630 -0.070 1.00 0.00 C ATOM 65 CG GLN A 5 1.165 8.405 0.909 1.00 0.00 C ATOM 66 CD GLN A 5 2.623 8.341 0.447 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.900 7.984 -0.681 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.574 8.679 1.275 1.00 0.00 N ATOM 0 H GLN A 5 -1.748 7.394 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 5 0.364 9.504 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.693 7.423 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.729 6.668 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.838 9.443 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.072 7.984 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.343 8.979 2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.548 8.643 0.975 1.00 0.00 H new ATOM 77 N CYS A 6 0.766 6.883 -3.142 1.00 0.00 N ATOM 78 CA CYS A 6 1.698 6.471 -4.239 1.00 0.00 C ATOM 79 C CYS A 6 1.380 7.201 -5.550 1.00 0.00 C ATOM 80 O CYS A 6 2.225 7.338 -6.383 1.00 0.00 O ATOM 81 CB CYS A 6 1.579 4.939 -4.396 1.00 0.00 C ATOM 82 SG CYS A 6 1.312 4.170 -2.792 1.00 0.00 S ATOM 0 H CYS A 6 -0.023 6.260 -2.967 1.00 0.00 H new ATOM 0 HA CYS A 6 2.723 6.743 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.753 4.698 -5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.486 4.541 -4.852 1.00 0.00 H new ATOM 87 N CYS A 7 0.207 7.706 -5.763 1.00 0.00 N ATOM 88 CA CYS A 7 -0.008 8.428 -7.056 1.00 0.00 C ATOM 89 C CYS A 7 0.472 9.867 -6.915 1.00 0.00 C ATOM 90 O CYS A 7 1.334 10.331 -7.634 1.00 0.00 O ATOM 91 CB CYS A 7 -1.506 8.423 -7.312 1.00 0.00 C ATOM 92 SG CYS A 7 -1.840 9.256 -8.889 1.00 0.00 S ATOM 0 H CYS A 7 -0.592 7.660 -5.130 1.00 0.00 H new ATOM 0 HA CYS A 7 0.537 7.953 -7.872 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.879 7.399 -7.341 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.028 8.930 -6.501 1.00 0.00 H new ATOM 97 N THR A 8 -0.098 10.568 -5.985 1.00 0.00 N ATOM 98 CA THR A 8 0.285 11.989 -5.757 1.00 0.00 C ATOM 99 C THR A 8 1.563 12.077 -4.912 1.00 0.00 C ATOM 100 O THR A 8 1.903 13.121 -4.390 1.00 0.00 O ATOM 101 CB THR A 8 -0.910 12.570 -5.002 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.976 12.797 -5.913 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.518 13.890 -4.332 1.00 0.00 C ATOM 0 H THR A 8 -0.824 10.215 -5.362 1.00 0.00 H new ATOM 0 HA THR A 8 0.499 12.525 -6.682 1.00 0.00 H new ATOM 0 HB THR A 8 -1.226 11.864 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.745 13.168 -5.431 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.377 14.295 -3.797 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.297 13.714 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.195 14.602 -5.092 1.00 0.00 H new ATOM 111 N SER A 9 2.280 10.997 -4.772 1.00 0.00 N ATOM 112 CA SER A 9 3.529 11.040 -3.961 1.00 0.00 C ATOM 113 C SER A 9 4.236 9.683 -4.006 1.00 0.00 C ATOM 114 O SER A 9 3.846 8.793 -4.737 1.00 0.00 O ATOM 115 CB SER A 9 3.071 11.369 -2.539 1.00 0.00 C ATOM 116 OG SER A 9 4.199 11.381 -1.673 1.00 0.00 O ATOM 0 H SER A 9 2.057 10.090 -5.182 1.00 0.00 H new ATOM 0 HA SER A 9 4.240 11.777 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.573 12.339 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.345 10.631 -2.199 1.00 0.00 H new ATOM 0 HG SER A 9 3.909 11.593 -0.761 1.00 0.00 H new ATOM 122 N ILE A 10 5.276 9.520 -3.239 1.00 0.00 N ATOM 123 CA ILE A 10 6.010 8.226 -3.245 1.00 0.00 C ATOM 124 C ILE A 10 5.747 7.456 -1.953 1.00 0.00 C ATOM 125 O ILE A 10 6.053 7.914 -0.869 1.00 0.00 O ATOM 126 CB ILE A 10 7.485 8.609 -3.334 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.759 9.291 -4.676 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.342 7.349 -3.217 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.272 10.711 -4.432 1.00 0.00 C ATOM 0 H ILE A 10 5.650 10.228 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 10 5.697 7.585 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 10 7.732 9.296 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.494 8.720 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.848 9.320 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.396 7.619 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.148 6.865 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.094 6.664 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.467 11.197 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.522 11.280 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.193 10.670 -3.851 1.00 0.00 H new ATOM 141 N CYS A 11 5.199 6.283 -2.061 1.00 0.00 N ATOM 142 CA CYS A 11 4.935 5.471 -0.834 1.00 0.00 C ATOM 143 C CYS A 11 5.902 4.274 -0.828 1.00 0.00 C ATOM 144 O CYS A 11 6.466 3.931 -1.847 1.00 0.00 O ATOM 145 CB CYS A 11 3.452 5.072 -0.926 1.00 0.00 C ATOM 146 SG CYS A 11 3.199 3.817 -2.195 1.00 0.00 S ATOM 0 H CYS A 11 4.921 5.847 -2.940 1.00 0.00 H new ATOM 0 HA CYS A 11 5.105 6.000 0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.113 4.693 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.849 5.951 -1.153 1.00 0.00 H new ATOM 151 N SER A 12 6.160 3.673 0.308 1.00 0.00 N ATOM 152 CA SER A 12 7.163 2.557 0.330 1.00 0.00 C ATOM 153 C SER A 12 6.548 1.168 0.408 1.00 0.00 C ATOM 154 O SER A 12 5.356 0.973 0.274 1.00 0.00 O ATOM 155 CB SER A 12 8.012 2.799 1.573 1.00 0.00 C ATOM 156 OG SER A 12 7.331 3.689 2.448 1.00 0.00 O ATOM 0 H SER A 12 5.731 3.899 1.205 1.00 0.00 H new ATOM 0 HA SER A 12 7.728 2.569 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.210 1.855 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.978 3.218 1.291 1.00 0.00 H new ATOM 0 HG SER A 12 7.876 3.843 3.247 1.00 0.00 H new ATOM 162 N LEU A 13 7.400 0.196 0.621 1.00 0.00 N ATOM 163 CA LEU A 13 6.935 -1.222 0.707 1.00 0.00 C ATOM 164 C LEU A 13 6.195 -1.470 2.019 1.00 0.00 C ATOM 165 O LEU A 13 5.436 -2.410 2.146 1.00 0.00 O ATOM 166 CB LEU A 13 8.195 -2.101 0.598 1.00 0.00 C ATOM 167 CG LEU A 13 9.239 -1.732 1.661 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.720 -2.092 3.056 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.523 -2.517 1.386 1.00 0.00 C ATOM 0 H LEU A 13 8.405 0.326 0.740 1.00 0.00 H new ATOM 0 HA LEU A 13 6.231 -1.457 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.918 -3.149 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.631 -1.990 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 13 9.434 -0.660 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.468 -1.826 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.799 -1.544 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.523 -3.163 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.272 -2.263 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.313 -3.586 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.900 -2.263 0.395 1.00 0.00 H new ATOM 181 N TYR A 14 6.379 -0.621 2.988 1.00 0.00 N ATOM 182 CA TYR A 14 5.650 -0.803 4.267 1.00 0.00 C ATOM 183 C TYR A 14 4.339 -0.039 4.163 1.00 0.00 C ATOM 184 O TYR A 14 3.343 -0.383 4.768 1.00 0.00 O ATOM 185 CB TYR A 14 6.547 -0.210 5.349 1.00 0.00 C ATOM 186 CG TYR A 14 5.986 -0.568 6.705 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.814 0.051 7.162 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.635 -1.518 7.505 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.295 -0.277 8.420 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.114 -1.847 8.763 1.00 0.00 C ATOM 191 CZ TYR A 14 4.944 -1.226 9.221 1.00 0.00 C ATOM 192 OH TYR A 14 4.431 -1.548 10.460 1.00 0.00 O ATOM 0 H TYR A 14 7.000 0.187 2.949 1.00 0.00 H new ATOM 0 HA TYR A 14 5.426 -1.845 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.562 -0.594 5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.604 0.873 5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.312 0.780 6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.537 -1.996 7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.394 0.202 8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.614 -2.579 9.380 1.00 0.00 H new ATOM 0 HH TYR A 14 5.001 -2.223 10.885 1.00 0.00 H new ATOM 202 N GLN A 15 4.338 0.989 3.360 1.00 0.00 N ATOM 203 CA GLN A 15 3.104 1.783 3.156 1.00 0.00 C ATOM 204 C GLN A 15 2.123 0.945 2.328 1.00 0.00 C ATOM 205 O GLN A 15 0.948 0.868 2.630 1.00 0.00 O ATOM 206 CB GLN A 15 3.579 3.038 2.414 1.00 0.00 C ATOM 207 CG GLN A 15 3.380 4.260 3.314 1.00 0.00 C ATOM 208 CD GLN A 15 3.948 5.502 2.626 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.289 6.113 1.808 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.153 5.905 2.927 1.00 0.00 N ATOM 0 H GLN A 15 5.150 1.312 2.833 1.00 0.00 H new ATOM 0 HA GLN A 15 2.583 2.056 4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.630 2.939 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.020 3.160 1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.320 4.401 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.876 4.103 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.706 5.392 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.542 6.733 2.475 1.00 0.00 H new ATOM 219 N LEU A 16 2.611 0.263 1.319 1.00 0.00 N ATOM 220 CA LEU A 16 1.713 -0.619 0.517 1.00 0.00 C ATOM 221 C LEU A 16 1.394 -1.855 1.361 1.00 0.00 C ATOM 222 O LEU A 16 0.413 -2.543 1.153 1.00 0.00 O ATOM 223 CB LEU A 16 2.537 -1.011 -0.713 1.00 0.00 C ATOM 224 CG LEU A 16 1.902 -0.448 -1.986 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.421 -0.831 -2.050 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.040 1.072 -1.983 1.00 0.00 C ATOM 0 H LEU A 16 3.586 0.280 1.020 1.00 0.00 H new ATOM 0 HA LEU A 16 0.776 -0.143 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.555 -0.635 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.603 -2.097 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 16 2.410 -0.863 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.021 -0.425 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.326 -1.917 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.098 -0.424 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.589 1.480 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.534 1.482 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.096 1.341 -1.950 1.00 0.00 H new ATOM 238 N GLU A 17 2.237 -2.122 2.322 1.00 0.00 N ATOM 239 CA GLU A 17 2.044 -3.295 3.220 1.00 0.00 C ATOM 240 C GLU A 17 0.707 -3.206 3.941 1.00 0.00 C ATOM 241 O GLU A 17 0.110 -4.205 4.294 1.00 0.00 O ATOM 242 CB GLU A 17 3.170 -3.162 4.233 1.00 0.00 C ATOM 243 CG GLU A 17 3.690 -4.543 4.630 1.00 0.00 C ATOM 244 CD GLU A 17 2.511 -5.485 4.892 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.783 -5.243 5.840 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.359 -6.433 4.139 1.00 0.00 O ATOM 0 H GLU A 17 3.067 -1.565 2.525 1.00 0.00 H new ATOM 0 HA GLU A 17 2.053 -4.240 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.980 -2.568 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.813 -2.632 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.320 -4.946 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.311 -4.465 5.523 1.00 0.00 H new ATOM 253 N ASN A 18 0.231 -2.019 4.171 1.00 0.00 N ATOM 254 CA ASN A 18 -1.069 -1.859 4.889 1.00 0.00 C ATOM 255 C ASN A 18 -2.257 -2.319 4.025 1.00 0.00 C ATOM 256 O ASN A 18 -3.365 -1.850 4.199 1.00 0.00 O ATOM 257 CB ASN A 18 -1.170 -0.361 5.180 1.00 0.00 C ATOM 258 CG ASN A 18 -0.813 -0.100 6.645 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.320 -0.758 7.533 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.044 0.840 6.939 1.00 0.00 N ATOM 0 H ASN A 18 0.683 -1.148 3.894 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.103 -2.468 5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.497 0.193 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.180 -0.007 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.288 1.022 7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.470 1.393 6.195 1.00 0.00 H new ATOM 267 N TYR A 19 -2.054 -3.223 3.099 1.00 0.00 N ATOM 268 CA TYR A 19 -3.195 -3.678 2.255 1.00 0.00 C ATOM 269 C TYR A 19 -3.042 -5.159 1.854 1.00 0.00 C ATOM 270 O TYR A 19 -3.923 -5.729 1.246 1.00 0.00 O ATOM 271 CB TYR A 19 -3.159 -2.749 1.037 1.00 0.00 C ATOM 272 CG TYR A 19 -3.249 -1.322 1.528 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.501 -0.725 1.729 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.079 -0.605 1.816 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.583 0.585 2.214 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.161 0.702 2.310 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.414 1.298 2.512 1.00 0.00 C ATOM 278 OH TYR A 19 -3.496 2.587 3.000 1.00 0.00 O ATOM 0 H TYR A 19 -1.156 -3.660 2.894 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.149 -3.625 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.239 -2.899 0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.987 -2.972 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.403 -1.276 1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.113 -1.062 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.548 1.047 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.259 1.252 2.536 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.594 2.936 3.155 1.00 0.00 H new ATOM 288 N CYS A 20 -1.951 -5.798 2.206 1.00 0.00 N ATOM 289 CA CYS A 20 -1.786 -7.241 1.857 1.00 0.00 C ATOM 290 C CYS A 20 -2.355 -8.112 2.982 1.00 0.00 C ATOM 291 O CYS A 20 -1.766 -8.236 4.037 1.00 0.00 O ATOM 292 CB CYS A 20 -0.274 -7.457 1.736 1.00 0.00 C ATOM 293 SG CYS A 20 0.458 -6.154 0.728 1.00 0.00 S ATOM 0 H CYS A 20 -1.172 -5.383 2.718 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.308 -7.506 0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.181 -7.461 2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.072 -8.430 1.289 1.00 0.00 H new ATOM 298 N ASN A 21 -3.497 -8.714 2.774 1.00 0.00 N ATOM 299 CA ASN A 21 -4.093 -9.569 3.845 1.00 0.00 C ATOM 300 C ASN A 21 -3.011 -10.435 4.494 1.00 0.00 C ATOM 301 O ASN A 21 -2.463 -11.279 3.806 1.00 0.00 O ATOM 302 CB ASN A 21 -5.121 -10.446 3.131 1.00 0.00 C ATOM 303 CG ASN A 21 -6.264 -10.785 4.092 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.304 -10.298 5.205 1.00 0.00 O ATOM 305 ND2 ASN A 21 -7.202 -11.607 3.705 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.749 -10.239 5.670 1.00 0.00 O ATOM 0 H ASN A 21 -4.041 -8.652 1.913 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.546 -8.976 4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.511 -9.927 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.648 -11.361 2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.968 -11.840 4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.169 -12.016 2.771 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 8.896 -3.289 -7.429 1.00 0.00 N ATOM 315 CA PHE B 1 8.848 -2.313 -6.302 1.00 0.00 C ATOM 316 C PHE B 1 9.900 -1.216 -6.500 1.00 0.00 C ATOM 317 O PHE B 1 11.041 -1.489 -6.814 1.00 0.00 O ATOM 318 CB PHE B 1 9.159 -3.138 -5.053 1.00 0.00 C ATOM 319 CG PHE B 1 9.451 -2.208 -3.900 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.605 -1.120 -3.648 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.568 -2.433 -3.084 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.877 -0.255 -2.579 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.839 -1.568 -2.016 1.00 0.00 C ATOM 324 CZ PHE B 1 9.994 -0.479 -1.762 1.00 0.00 C ATOM 0 H1 PHE B 1 8.178 -4.026 -7.281 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.706 -2.795 -8.324 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.838 -3.727 -7.469 1.00 0.00 H new ATOM 0 HA PHE B 1 7.882 -1.812 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.315 -3.783 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.014 -3.788 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.744 -0.948 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.219 -3.272 -3.278 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.226 0.584 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.700 -1.740 -1.387 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.203 0.187 -0.938 1.00 0.00 H new ATOM 336 N VAL B 2 9.523 0.023 -6.319 1.00 0.00 N ATOM 337 CA VAL B 2 10.504 1.133 -6.500 1.00 0.00 C ATOM 338 C VAL B 2 10.052 2.381 -5.732 1.00 0.00 C ATOM 339 O VAL B 2 8.888 2.732 -5.730 1.00 0.00 O ATOM 340 CB VAL B 2 10.514 1.406 -8.005 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.258 0.280 -8.725 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.074 1.473 -8.520 1.00 0.00 C ATOM 0 H VAL B 2 8.582 0.313 -6.055 1.00 0.00 H new ATOM 0 HA VAL B 2 11.493 0.873 -6.122 1.00 0.00 H new ATOM 0 HB VAL B 2 11.016 2.354 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.264 0.476 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.284 0.229 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.757 -0.669 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.080 1.668 -9.592 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.574 0.524 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.542 2.275 -8.009 1.00 0.00 H new ATOM 352 N ASN B 3 10.965 3.058 -5.084 1.00 0.00 N ATOM 353 CA ASN B 3 10.588 4.288 -4.324 1.00 0.00 C ATOM 354 C ASN B 3 10.069 5.355 -5.290 1.00 0.00 C ATOM 355 O ASN B 3 10.819 6.174 -5.784 1.00 0.00 O ATOM 356 CB ASN B 3 11.883 4.753 -3.656 1.00 0.00 C ATOM 357 CG ASN B 3 11.577 5.899 -2.691 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.811 5.739 -1.763 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.150 7.058 -2.872 1.00 0.00 N ATOM 0 H ASN B 3 11.954 2.813 -5.048 1.00 0.00 H new ATOM 0 HA ASN B 3 9.800 4.103 -3.594 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.345 3.925 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.597 5.081 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.954 7.829 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.794 7.192 -3.652 1.00 0.00 H new ATOM 366 N GLN B 4 8.796 5.343 -5.575 1.00 0.00 N ATOM 367 CA GLN B 4 8.235 6.344 -6.522 1.00 0.00 C ATOM 368 C GLN B 4 6.713 6.450 -6.323 1.00 0.00 C ATOM 369 O GLN B 4 6.172 5.970 -5.335 1.00 0.00 O ATOM 370 CB GLN B 4 8.585 5.773 -7.906 1.00 0.00 C ATOM 371 CG GLN B 4 8.444 6.858 -8.979 1.00 0.00 C ATOM 372 CD GLN B 4 9.515 6.659 -10.054 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.213 6.640 -11.231 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.760 6.514 -9.697 1.00 0.00 N ATOM 0 H GLN B 4 8.120 4.682 -5.192 1.00 0.00 H new ATOM 0 HA GLN B 4 8.632 7.350 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.604 5.387 -7.901 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.928 4.935 -8.138 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.452 6.813 -9.427 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.546 7.845 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.012 6.530 -8.709 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.482 6.384 -10.406 1.00 0.00 H new ATOM 383 N HIS B 5 6.015 7.065 -7.244 1.00 0.00 N ATOM 384 CA HIS B 5 4.537 7.173 -7.101 1.00 0.00 C ATOM 385 C HIS B 5 3.881 6.002 -7.857 1.00 0.00 C ATOM 386 O HIS B 5 4.233 5.711 -8.983 1.00 0.00 O ATOM 387 CB HIS B 5 4.116 8.525 -7.716 1.00 0.00 C ATOM 388 CG HIS B 5 5.230 9.543 -7.630 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.194 10.593 -6.726 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.391 9.708 -8.345 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.297 11.338 -6.921 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.063 10.842 -7.896 1.00 0.00 N ATOM 0 H HIS B 5 6.405 7.494 -8.083 1.00 0.00 H new ATOM 0 HA HIS B 5 4.225 7.127 -6.057 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.834 8.380 -8.759 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.235 8.903 -7.197 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.731 9.056 -9.136 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.534 12.229 -6.358 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.949 11.214 -8.238 1.00 0.00 H new ATOM 400 N LEU B 6 2.969 5.296 -7.233 1.00 0.00 N ATOM 401 CA LEU B 6 2.348 4.113 -7.908 1.00 0.00 C ATOM 402 C LEU B 6 0.906 4.322 -8.380 1.00 0.00 C ATOM 403 O LEU B 6 0.172 3.367 -8.487 1.00 0.00 O ATOM 404 CB LEU B 6 2.341 3.023 -6.838 1.00 0.00 C ATOM 405 CG LEU B 6 3.755 2.747 -6.347 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.690 1.999 -5.015 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.466 1.880 -7.370 1.00 0.00 C ATOM 0 H LEU B 6 2.629 5.486 -6.290 1.00 0.00 H new ATOM 0 HA LEU B 6 2.916 3.885 -8.810 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.713 3.330 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.906 2.110 -7.244 1.00 0.00 H new ATOM 0 HG LEU B 6 4.292 3.686 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.701 1.799 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.161 2.608 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.161 1.056 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.481 1.675 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.926 0.941 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.502 2.401 -8.327 1.00 0.00 H new ATOM 419 N CYS B 7 0.493 5.516 -8.668 1.00 0.00 N ATOM 420 CA CYS B 7 -0.924 5.740 -9.121 1.00 0.00 C ATOM 421 C CYS B 7 -1.622 4.448 -9.587 1.00 0.00 C ATOM 422 O CYS B 7 -1.116 3.691 -10.394 1.00 0.00 O ATOM 423 CB CYS B 7 -0.854 6.768 -10.242 1.00 0.00 C ATOM 424 SG CYS B 7 -2.342 7.783 -10.172 1.00 0.00 S ATOM 0 H CYS B 7 1.067 6.357 -8.613 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.529 6.093 -8.286 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.035 7.389 -10.133 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.779 6.271 -11.209 1.00 0.00 H new ATOM 429 N GLY B 8 -2.781 4.217 -9.028 1.00 0.00 N ATOM 430 CA GLY B 8 -3.625 3.010 -9.316 1.00 0.00 C ATOM 431 C GLY B 8 -2.972 1.976 -10.254 1.00 0.00 C ATOM 432 O GLY B 8 -2.716 0.862 -9.844 1.00 0.00 O ATOM 0 H GLY B 8 -3.201 4.849 -8.347 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.870 2.521 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.566 3.338 -9.758 1.00 0.00 H new ATOM 436 N SER B 9 -2.734 2.282 -11.509 1.00 0.00 N ATOM 437 CA SER B 9 -2.154 1.240 -12.402 1.00 0.00 C ATOM 438 C SER B 9 -0.802 0.771 -11.885 1.00 0.00 C ATOM 439 O SER B 9 -0.433 -0.385 -12.021 1.00 0.00 O ATOM 440 CB SER B 9 -2.012 1.906 -13.770 1.00 0.00 C ATOM 441 OG SER B 9 -2.580 1.061 -14.761 1.00 0.00 O ATOM 0 H SER B 9 -2.913 3.188 -11.942 1.00 0.00 H new ATOM 0 HA SER B 9 -2.788 0.355 -12.449 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.512 2.874 -13.770 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.961 2.090 -13.991 1.00 0.00 H new ATOM 0 HG SER B 9 -2.493 1.484 -15.641 1.00 0.00 H new ATOM 447 N HIS B 10 -0.073 1.633 -11.257 1.00 0.00 N ATOM 448 CA HIS B 10 1.236 1.201 -10.724 1.00 0.00 C ATOM 449 C HIS B 10 0.972 0.504 -9.410 1.00 0.00 C ATOM 450 O HIS B 10 1.571 -0.501 -9.080 1.00 0.00 O ATOM 451 CB HIS B 10 2.035 2.483 -10.536 1.00 0.00 C ATOM 452 CG HIS B 10 2.854 2.753 -11.767 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.298 2.759 -13.036 1.00 0.00 N ATOM 454 CD2 HIS B 10 4.185 3.039 -11.940 1.00 0.00 C ATOM 455 CE1 HIS B 10 3.281 3.042 -13.908 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.454 3.222 -13.293 1.00 0.00 N ATOM 0 H HIS B 10 -0.321 2.608 -11.090 1.00 0.00 H new ATOM 0 HA HIS B 10 1.783 0.514 -11.370 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.361 3.318 -10.345 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.686 2.393 -9.666 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.914 3.111 -11.146 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.140 3.115 -14.976 1.00 0.00 H new ATOM 0 HE2 HIS B 10 5.352 3.445 -13.722 1.00 0.00 H new ATOM 464 N LEU B 11 0.046 1.025 -8.668 1.00 0.00 N ATOM 465 CA LEU B 11 -0.303 0.391 -7.381 1.00 0.00 C ATOM 466 C LEU B 11 -0.911 -0.967 -7.629 1.00 0.00 C ATOM 467 O LEU B 11 -0.461 -1.954 -7.094 1.00 0.00 O ATOM 468 CB LEU B 11 -1.349 1.280 -6.738 1.00 0.00 C ATOM 469 CG LEU B 11 -0.644 2.325 -5.887 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.677 3.213 -5.200 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.185 1.597 -4.837 1.00 0.00 C ATOM 0 H LEU B 11 -0.485 1.865 -8.899 1.00 0.00 H new ATOM 0 HA LEU B 11 0.579 0.272 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.957 1.763 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.024 0.685 -6.123 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.004 2.951 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.167 3.960 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.286 3.713 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.317 2.602 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.702 2.325 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.470 0.986 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.917 0.958 -5.330 1.00 0.00 H new ATOM 483 N VAL B 12 -1.938 -1.049 -8.434 1.00 0.00 N ATOM 484 CA VAL B 12 -2.526 -2.369 -8.650 1.00 0.00 C ATOM 485 C VAL B 12 -1.409 -3.328 -9.053 1.00 0.00 C ATOM 486 O VAL B 12 -1.503 -4.518 -8.854 1.00 0.00 O ATOM 487 CB VAL B 12 -3.573 -2.178 -9.743 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.696 -3.444 -10.584 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.925 -1.864 -9.101 1.00 0.00 C ATOM 0 H VAL B 12 -2.374 -0.273 -8.932 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.002 -2.794 -7.766 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.267 -1.353 -10.386 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.447 -3.294 -11.360 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.735 -3.668 -11.047 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.995 -4.276 -9.947 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.675 -1.727 -9.880 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.221 -2.690 -8.454 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.844 -0.951 -8.511 1.00 0.00 H new ATOM 499 N GLU B 13 -0.337 -2.809 -9.597 1.00 0.00 N ATOM 500 CA GLU B 13 0.795 -3.699 -9.980 1.00 0.00 C ATOM 501 C GLU B 13 1.847 -3.729 -8.862 1.00 0.00 C ATOM 502 O GLU B 13 2.670 -4.624 -8.796 1.00 0.00 O ATOM 503 CB GLU B 13 1.378 -3.088 -11.256 1.00 0.00 C ATOM 504 CG GLU B 13 1.586 -4.189 -12.298 1.00 0.00 C ATOM 505 CD GLU B 13 1.764 -3.557 -13.681 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.623 -2.702 -13.814 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.037 -3.941 -14.584 1.00 0.00 O ATOM 0 H GLU B 13 -0.199 -1.817 -9.790 1.00 0.00 H new ATOM 0 HA GLU B 13 0.472 -4.728 -10.139 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.705 -2.325 -11.647 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.326 -2.596 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.463 -4.785 -12.043 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.731 -4.866 -12.303 1.00 0.00 H new ATOM 514 N ALA B 14 1.810 -2.783 -7.958 1.00 0.00 N ATOM 515 CA ALA B 14 2.796 -2.789 -6.843 1.00 0.00 C ATOM 516 C ALA B 14 2.124 -3.384 -5.624 1.00 0.00 C ATOM 517 O ALA B 14 2.763 -3.844 -4.700 1.00 0.00 O ATOM 518 CB ALA B 14 3.154 -1.321 -6.591 1.00 0.00 C ATOM 0 H ALA B 14 1.142 -2.012 -7.946 1.00 0.00 H new ATOM 0 HA ALA B 14 3.689 -3.372 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.878 -1.257 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.584 -0.891 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.255 -0.769 -6.319 1.00 0.00 H new ATOM 524 N LEU B 15 0.826 -3.378 -5.629 1.00 0.00 N ATOM 525 CA LEU B 15 0.075 -3.939 -4.496 1.00 0.00 C ATOM 526 C LEU B 15 -0.183 -5.422 -4.776 1.00 0.00 C ATOM 527 O LEU B 15 -0.265 -6.228 -3.871 1.00 0.00 O ATOM 528 CB LEU B 15 -1.185 -3.082 -4.481 1.00 0.00 C ATOM 529 CG LEU B 15 -2.390 -3.853 -3.946 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.982 -4.678 -2.729 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.482 -2.862 -3.536 1.00 0.00 C ATOM 0 H LEU B 15 0.251 -3.002 -6.383 1.00 0.00 H new ATOM 0 HA LEU B 15 0.573 -3.914 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.016 -2.199 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.398 -2.731 -5.491 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.763 -4.519 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.847 -5.225 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.202 -5.384 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.605 -4.015 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.344 -3.408 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.099 -2.199 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -3.782 -2.272 -4.402 1.00 0.00 H new ATOM 543 N TYR B 16 -0.241 -5.802 -6.029 1.00 0.00 N ATOM 544 CA TYR B 16 -0.413 -7.247 -6.344 1.00 0.00 C ATOM 545 C TYR B 16 0.946 -7.914 -6.194 1.00 0.00 C ATOM 546 O TYR B 16 1.068 -9.017 -5.700 1.00 0.00 O ATOM 547 CB TYR B 16 -0.874 -7.310 -7.815 1.00 0.00 C ATOM 548 CG TYR B 16 0.101 -8.123 -8.659 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.075 -9.524 -8.605 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.031 -7.474 -9.488 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.969 -10.274 -9.380 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.925 -8.227 -10.261 1.00 0.00 C ATOM 553 CZ TYR B 16 1.892 -9.625 -10.208 1.00 0.00 C ATOM 554 OH TYR B 16 2.771 -10.365 -10.972 1.00 0.00 O ATOM 0 H TYR B 16 -0.177 -5.180 -6.835 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.132 -7.744 -5.693 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.867 -7.756 -7.870 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.955 -6.300 -8.218 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.636 -10.026 -7.965 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.057 -6.395 -9.530 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.946 -11.353 -9.339 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.640 -7.728 -10.898 1.00 0.00 H new ATOM 0 HH TYR B 16 3.343 -9.761 -11.490 1.00 0.00 H new ATOM 564 N LEU B 17 1.970 -7.251 -6.664 1.00 0.00 N ATOM 565 CA LEU B 17 3.317 -7.858 -6.593 1.00 0.00 C ATOM 566 C LEU B 17 3.712 -7.949 -5.144 1.00 0.00 C ATOM 567 O LEU B 17 4.494 -8.788 -4.744 1.00 0.00 O ATOM 568 CB LEU B 17 4.275 -6.855 -7.234 1.00 0.00 C ATOM 569 CG LEU B 17 5.194 -7.515 -8.286 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.365 -9.015 -8.017 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.589 -7.316 -9.678 1.00 0.00 C ATOM 0 H LEU B 17 1.926 -6.325 -7.089 1.00 0.00 H new ATOM 0 HA LEU B 17 3.338 -8.836 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.701 -6.057 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.886 -6.393 -6.459 1.00 0.00 H new ATOM 0 HG LEU B 17 6.176 -7.045 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.017 -9.449 -8.775 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.808 -9.160 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.392 -9.504 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.234 -7.780 -10.425 1.00 0.00 H new ATOM 0 HD22 LEU B 17 3.602 -7.776 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.500 -6.250 -9.887 1.00 0.00 H new ATOM 583 N VAL B 18 3.226 -7.028 -4.361 1.00 0.00 N ATOM 584 CA VAL B 18 3.644 -7.015 -2.962 1.00 0.00 C ATOM 585 C VAL B 18 2.756 -7.932 -2.100 1.00 0.00 C ATOM 586 O VAL B 18 3.204 -8.494 -1.121 1.00 0.00 O ATOM 587 CB VAL B 18 3.577 -5.545 -2.528 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.148 -5.150 -2.186 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.465 -5.336 -1.301 1.00 0.00 C ATOM 0 H VAL B 18 2.568 -6.300 -4.637 1.00 0.00 H new ATOM 0 HA VAL B 18 4.652 -7.409 -2.833 1.00 0.00 H new ATOM 0 HB VAL B 18 3.926 -4.923 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.123 -4.104 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.513 -5.288 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.783 -5.775 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.418 -4.292 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.116 -5.972 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.494 -5.595 -1.548 1.00 0.00 H new ATOM 599 N CYS B 19 1.512 -8.121 -2.473 1.00 0.00 N ATOM 600 CA CYS B 19 0.624 -9.043 -1.682 1.00 0.00 C ATOM 601 C CYS B 19 0.199 -10.212 -2.588 1.00 0.00 C ATOM 602 O CYS B 19 0.805 -11.265 -2.565 1.00 0.00 O ATOM 603 CB CYS B 19 -0.609 -8.236 -1.204 1.00 0.00 C ATOM 604 SG CYS B 19 -0.260 -6.470 -1.122 1.00 0.00 S ATOM 0 H CYS B 19 1.073 -7.683 -3.283 1.00 0.00 H new ATOM 0 HA CYS B 19 1.144 -9.446 -0.813 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -1.444 -8.411 -1.883 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.918 -8.592 -0.221 1.00 0.00 H new ATOM 609 N GLY B 20 -0.814 -10.039 -3.404 1.00 0.00 N ATOM 610 CA GLY B 20 -1.235 -11.140 -4.318 1.00 0.00 C ATOM 611 C GLY B 20 -1.464 -12.431 -3.537 1.00 0.00 C ATOM 612 O GLY B 20 -2.566 -12.734 -3.129 1.00 0.00 O ATOM 0 H GLY B 20 -1.364 -9.183 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.150 -10.857 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -0.471 -11.300 -5.079 1.00 0.00 H new ATOM 616 N GLU B 21 -0.429 -13.197 -3.340 1.00 0.00 N ATOM 617 CA GLU B 21 -0.569 -14.484 -2.596 1.00 0.00 C ATOM 618 C GLU B 21 -1.549 -14.344 -1.427 1.00 0.00 C ATOM 619 O GLU B 21 -2.168 -15.301 -1.007 1.00 0.00 O ATOM 620 CB GLU B 21 0.837 -14.805 -2.087 1.00 0.00 C ATOM 621 CG GLU B 21 1.198 -13.864 -0.936 1.00 0.00 C ATOM 622 CD GLU B 21 2.720 -13.777 -0.806 1.00 0.00 C ATOM 623 OE1 GLU B 21 3.384 -14.708 -1.231 1.00 0.00 O ATOM 624 OE2 GLU B 21 3.196 -12.782 -0.285 1.00 0.00 O ATOM 0 H GLU B 21 0.515 -12.988 -3.664 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.966 -15.275 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.884 -15.841 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.560 -14.699 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.781 -12.874 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.763 -14.227 -0.005 1.00 0.00 H new ATOM 631 N ARG B 22 -1.695 -13.163 -0.900 1.00 0.00 N ATOM 632 CA ARG B 22 -2.637 -12.968 0.240 1.00 0.00 C ATOM 633 C ARG B 22 -3.727 -11.955 -0.132 1.00 0.00 C ATOM 634 O ARG B 22 -4.433 -11.451 0.719 1.00 0.00 O ATOM 635 CB ARG B 22 -1.773 -12.427 1.378 1.00 0.00 C ATOM 636 CG ARG B 22 -1.768 -13.427 2.536 1.00 0.00 C ATOM 637 CD ARG B 22 -1.256 -14.780 2.038 1.00 0.00 C ATOM 638 NE ARG B 22 -0.672 -15.435 3.241 1.00 0.00 N ATOM 639 CZ ARG B 22 0.353 -16.232 3.117 1.00 0.00 C ATOM 640 NH1 ARG B 22 0.394 -17.097 2.141 1.00 0.00 N ATOM 641 NH2 ARG B 22 1.341 -16.162 3.967 1.00 0.00 N ATOM 0 H ARG B 22 -1.204 -12.323 -1.207 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.146 -13.892 0.514 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.755 -12.257 1.027 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.159 -11.465 1.716 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.134 -13.061 3.344 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.774 -13.534 2.943 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -2.064 -15.377 1.616 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.509 -14.656 1.254 1.00 0.00 H new ATOM 0 HE ARG B 22 -1.074 -15.260 4.162 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.376 -17.150 1.474 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.196 -17.720 2.045 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.312 -15.484 4.728 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.142 -16.785 3.870 1.00 0.00 H new ATOM 655 N GLY B 23 -3.871 -11.649 -1.394 1.00 0.00 N ATOM 656 CA GLY B 23 -4.916 -10.665 -1.805 1.00 0.00 C ATOM 657 C GLY B 23 -4.731 -9.372 -1.008 1.00 0.00 C ATOM 658 O GLY B 23 -3.846 -9.267 -0.182 1.00 0.00 O ATOM 0 H GLY B 23 -3.313 -12.036 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.841 -10.462 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.910 -11.076 -1.628 1.00 0.00 H new ATOM 662 N PHE B 24 -5.552 -8.383 -1.244 1.00 0.00 N ATOM 663 CA PHE B 24 -5.401 -7.109 -0.485 1.00 0.00 C ATOM 664 C PHE B 24 -6.704 -6.309 -0.480 1.00 0.00 C ATOM 665 O PHE B 24 -7.769 -6.820 -0.761 1.00 0.00 O ATOM 666 CB PHE B 24 -4.309 -6.331 -1.220 1.00 0.00 C ATOM 667 CG PHE B 24 -4.667 -6.184 -2.683 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.686 -5.301 -3.075 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.971 -6.920 -3.650 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.006 -5.159 -4.436 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.290 -6.774 -5.006 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.307 -5.895 -5.398 1.00 0.00 C ATOM 0 H PHE B 24 -6.313 -8.402 -1.923 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.148 -7.297 0.558 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.186 -5.347 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.355 -6.849 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.223 -4.731 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.188 -7.601 -3.350 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.791 -4.482 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.751 -7.340 -5.751 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.552 -5.785 -6.444 1.00 0.00 H new ATOM 682 N PHE B 25 -6.612 -5.048 -0.157 1.00 0.00 N ATOM 683 CA PHE B 25 -7.822 -4.182 -0.121 1.00 0.00 C ATOM 684 C PHE B 25 -7.545 -2.878 -0.882 1.00 0.00 C ATOM 685 O PHE B 25 -6.765 -2.051 -0.453 1.00 0.00 O ATOM 686 CB PHE B 25 -8.066 -3.918 1.375 1.00 0.00 C ATOM 687 CG PHE B 25 -8.733 -2.574 1.574 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.895 -2.254 0.858 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.187 -1.650 2.473 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.509 -1.007 1.043 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.801 -0.405 2.658 1.00 0.00 C ATOM 692 CZ PHE B 25 -9.961 -0.082 1.943 1.00 0.00 C ATOM 0 H PHE B 25 -5.740 -4.577 0.086 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.692 -4.640 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.692 -4.707 1.792 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.119 -3.944 1.914 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.317 -2.967 0.165 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.292 -1.897 3.024 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.404 -0.759 0.492 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.380 0.307 3.353 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.433 0.879 2.085 1.00 0.00 H new ATOM 702 N TYR B 26 -8.181 -2.690 -2.004 1.00 0.00 N ATOM 703 CA TYR B 26 -7.960 -1.443 -2.792 1.00 0.00 C ATOM 704 C TYR B 26 -9.286 -0.980 -3.403 1.00 0.00 C ATOM 705 O TYR B 26 -9.985 -1.744 -4.039 1.00 0.00 O ATOM 706 CB TYR B 26 -6.964 -1.839 -3.884 1.00 0.00 C ATOM 707 CG TYR B 26 -6.303 -0.600 -4.437 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.937 0.139 -5.442 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.056 -0.190 -3.946 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.327 1.291 -5.957 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.446 0.962 -4.459 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.081 1.702 -5.465 1.00 0.00 C ATOM 713 OH TYR B 26 -4.481 2.838 -5.970 1.00 0.00 O ATOM 0 H TYR B 26 -8.846 -3.347 -2.411 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.583 -0.620 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.212 -2.514 -3.477 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.477 -2.377 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.897 -0.179 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.565 -0.762 -3.172 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.817 1.861 -6.732 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.486 1.280 -4.079 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.318 3.473 -5.242 1.00 0.00 H new ATOM 723 N THR B 27 -9.647 0.261 -3.209 1.00 0.00 N ATOM 724 CA THR B 27 -10.939 0.753 -3.775 1.00 0.00 C ATOM 725 C THR B 27 -10.756 1.076 -5.270 1.00 0.00 C ATOM 726 O THR B 27 -9.819 0.595 -5.874 1.00 0.00 O ATOM 727 CB THR B 27 -11.287 2.011 -2.964 1.00 0.00 C ATOM 728 OG1 THR B 27 -10.640 3.135 -3.542 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.836 1.850 -1.509 1.00 0.00 C ATOM 0 H THR B 27 -9.108 0.952 -2.687 1.00 0.00 H new ATOM 0 HA THR B 27 -11.738 0.015 -3.708 1.00 0.00 H new ATOM 0 HB THR B 27 -12.367 2.157 -2.981 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.861 3.940 -3.028 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.090 2.749 -0.948 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.339 0.991 -1.065 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.758 1.695 -1.477 1.00 0.00 H new ATOM 737 N PRO B 28 -11.640 1.872 -5.843 1.00 0.00 N ATOM 738 CA PRO B 28 -11.501 2.201 -7.281 1.00 0.00 C ATOM 739 C PRO B 28 -10.412 3.253 -7.483 1.00 0.00 C ATOM 740 O PRO B 28 -10.066 3.988 -6.579 1.00 0.00 O ATOM 741 CB PRO B 28 -12.865 2.759 -7.663 1.00 0.00 C ATOM 742 CG PRO B 28 -13.442 3.287 -6.394 1.00 0.00 C ATOM 743 CD PRO B 28 -12.820 2.526 -5.249 1.00 0.00 C ATOM 0 HA PRO B 28 -11.215 1.341 -7.887 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -12.773 3.546 -8.411 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -13.501 1.985 -8.092 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -13.239 4.354 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -14.525 3.166 -6.388 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -12.537 3.194 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -13.514 1.794 -4.835 1.00 0.00 H new ATOM 751 N LYS B 29 -9.877 3.334 -8.666 1.00 0.00 N ATOM 752 CA LYS B 29 -8.814 4.341 -8.934 1.00 0.00 C ATOM 753 C LYS B 29 -9.445 5.666 -9.351 1.00 0.00 C ATOM 754 O LYS B 29 -9.972 5.806 -10.436 1.00 0.00 O ATOM 755 CB LYS B 29 -7.982 3.759 -10.071 1.00 0.00 C ATOM 756 CG LYS B 29 -6.767 4.655 -10.321 1.00 0.00 C ATOM 757 CD LYS B 29 -6.149 4.316 -11.677 1.00 0.00 C ATOM 758 CE LYS B 29 -7.010 4.906 -12.796 1.00 0.00 C ATOM 759 NZ LYS B 29 -6.044 5.290 -13.862 1.00 0.00 N ATOM 0 H LYS B 29 -10.129 2.746 -9.461 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.203 4.540 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.658 2.749 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.585 3.684 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.065 5.703 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.031 4.515 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.136 4.714 -11.736 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.074 3.235 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.734 4.178 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -7.575 5.770 -12.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -6.560 5.703 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -5.372 5.989 -13.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -5.525 4.447 -14.181 1.00 0.00 H new ATOM 773 N THR B 30 -9.394 6.638 -8.490 1.00 0.00 N ATOM 774 CA THR B 30 -9.991 7.965 -8.819 1.00 0.00 C ATOM 775 C THR B 30 -8.963 9.079 -8.598 1.00 0.00 C ATOM 776 O THR B 30 -7.838 8.913 -9.037 1.00 0.00 O ATOM 777 CB THR B 30 -11.171 8.127 -7.855 1.00 0.00 C ATOM 778 OG1 THR B 30 -11.219 7.017 -6.969 1.00 0.00 O ATOM 779 CG2 THR B 30 -12.474 8.202 -8.652 1.00 0.00 C ATOM 780 OXT THR B 30 -9.321 10.077 -7.995 1.00 0.00 O ATOM 0 H THR B 30 -8.964 6.574 -7.567 1.00 0.00 H new ATOM 0 HA THR B 30 -10.307 8.024 -9.861 1.00 0.00 H new ATOM 0 HB THR B 30 -11.044 9.043 -7.279 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.973 7.123 -6.352 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.314 8.317 -7.967 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.438 9.056 -9.329 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.600 7.286 -9.230 1.00 0.00 H new TER 788 THR B 30