USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -174:sc= -0.313 (180deg=-0.405) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0623 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= 0.676 K(o=0.68,f=-4.5!) USER MOD Single : A 18 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0498 USER MOD Single : A 21 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.017) USER MOD Single : B 1 PHE N :NH3+ 138:sc= 0.0187 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : B 5 HIS : no HE2:sc= 1.27 K(o=1.3,f=-5.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.013) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 30:sc= 0 USER MOD Single : B 27 THR OG1 : rot 57:sc= 0.239 USER MOD Single : B 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-9.27e-05) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.318 -0.218 -0.519 1.00 25.00 N ATOM 2 CA GLY A 1 2.599 1.048 -0.851 1.00 25.00 C ATOM 3 C GLY A 1 1.838 0.950 -2.163 1.00 25.00 C ATOM 4 O GLY A 1 1.175 1.838 -2.612 1.00 25.00 O ATOM 0 H1 GLY A 1 3.738 -0.140 0.429 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.648 -1.013 -0.537 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.070 -0.384 -1.218 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.904 1.290 -0.047 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.316 1.866 -0.910 1.00 25.00 H new ATOM 9 N ILE A 2 2.146 -0.165 -2.859 1.00 25.00 N ATOM 10 CA ILE A 2 1.681 -0.513 -4.220 1.00 25.00 C ATOM 11 C ILE A 2 0.160 -0.591 -4.303 1.00 25.00 C ATOM 12 O ILE A 2 -0.450 0.035 -5.144 1.00 25.00 O ATOM 13 CB ILE A 2 2.248 -1.924 -4.677 1.00 25.00 C ATOM 14 CG1 ILE A 2 3.786 -1.968 -4.586 1.00 25.00 C ATOM 15 CG2 ILE A 2 1.809 -2.235 -6.179 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.439 -3.302 -4.862 1.00 25.00 C ATOM 0 H ILE A 2 2.756 -0.883 -2.468 1.00 25.00 H new ATOM 0 HA ILE A 2 2.048 0.281 -4.871 1.00 25.00 H new ATOM 0 HB ILE A 2 1.835 -2.676 -4.005 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.190 -1.238 -5.288 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.078 -1.645 -3.587 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.204 -3.205 -6.480 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.721 -2.250 -6.244 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.201 -1.462 -6.840 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.520 -3.204 -4.767 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.077 -4.039 -4.145 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.191 -3.626 -5.873 1.00 25.00 H new ATOM 28 N VAL A 3 -0.456 -1.300 -3.356 1.00 25.00 N ATOM 29 CA VAL A 3 -1.902 -1.390 -3.330 1.00 25.00 C ATOM 30 C VAL A 3 -2.521 -0.039 -2.877 1.00 25.00 C ATOM 31 O VAL A 3 -3.615 0.327 -3.370 1.00 25.00 O ATOM 32 CB VAL A 3 -2.387 -2.614 -2.423 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.695 -3.913 -2.864 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.070 -2.364 -0.921 1.00 25.00 C ATOM 0 H VAL A 3 0.021 -1.810 -2.612 1.00 25.00 H new ATOM 0 HA VAL A 3 -2.258 -1.590 -4.341 1.00 25.00 H new ATOM 0 HB VAL A 3 -3.466 -2.705 -2.549 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -2.035 -4.737 -2.237 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.943 -4.122 -3.905 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.615 -3.802 -2.763 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.412 -3.214 -0.331 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -0.995 -2.241 -0.792 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -2.581 -1.461 -0.587 1.00 25.00 H new ATOM 44 N GLU A 4 -1.844 0.663 -2.026 1.00 25.00 N ATOM 45 CA GLU A 4 -2.288 1.945 -1.532 1.00 25.00 C ATOM 46 C GLU A 4 -2.349 2.965 -2.656 1.00 25.00 C ATOM 47 O GLU A 4 -3.272 3.771 -2.711 1.00 25.00 O ATOM 48 CB GLU A 4 -1.355 2.378 -0.411 1.00 25.00 C ATOM 49 CG GLU A 4 -1.539 1.443 0.871 1.00 25.00 C ATOM 50 CD GLU A 4 -0.626 1.807 1.960 1.00 25.00 C ATOM 51 OE1 GLU A 4 0.384 1.231 2.166 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.117 2.753 2.690 1.00 25.00 O ATOM 0 H GLU A 4 -0.948 0.363 -1.642 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.300 1.867 -1.135 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.321 2.334 -0.754 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.558 3.415 -0.143 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.568 1.512 1.224 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.368 0.404 0.588 1.00 25.00 H new ATOM 60 N GLN A 5 -1.373 2.878 -3.540 1.00 25.00 N ATOM 61 CA GLN A 5 -1.232 3.786 -4.627 1.00 25.00 C ATOM 62 C GLN A 5 -2.147 3.445 -5.783 1.00 25.00 C ATOM 63 O GLN A 5 -2.624 4.336 -6.454 1.00 25.00 O ATOM 64 CB GLN A 5 0.263 3.745 -5.121 1.00 25.00 C ATOM 65 CG GLN A 5 0.588 4.917 -6.091 1.00 25.00 C ATOM 66 CD GLN A 5 2.002 4.834 -6.618 1.00 25.00 C ATOM 67 OE1 GLN A 5 2.915 4.579 -5.900 1.00 25.00 O ATOM 68 NE2 GLN A 5 2.189 5.119 -7.854 1.00 25.00 N ATOM 0 H GLN A 5 -0.652 2.157 -3.509 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.507 4.781 -4.276 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.931 3.791 -4.261 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.453 2.796 -5.622 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.112 4.903 -6.926 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.448 5.866 -5.574 1.00 25.00 H new ATOM 0 HE21 GLN A 5 1.393 5.335 -8.454 1.00 25.00 H new ATOM 0 HE22 GLN A 5 3.134 5.130 -8.238 1.00 25.00 H new ATOM 77 N CYS A 6 -2.325 2.139 -6.084 1.00 25.00 N ATOM 78 CA CYS A 6 -3.033 1.713 -7.316 1.00 25.00 C ATOM 79 C CYS A 6 -4.205 0.739 -7.207 1.00 25.00 C ATOM 80 O CYS A 6 -5.005 0.655 -8.096 1.00 25.00 O ATOM 81 CB CYS A 6 -2.009 1.028 -8.211 1.00 25.00 C ATOM 82 SG CYS A 6 -1.361 2.127 -9.502 1.00 25.00 S ATOM 0 H CYS A 6 -1.994 1.370 -5.501 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.476 2.640 -7.680 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.183 0.666 -7.600 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.466 0.156 -8.678 1.00 25.00 H new ATOM 87 N CYS A 7 -4.294 -0.048 -6.153 1.00 25.00 N ATOM 88 CA CYS A 7 -5.420 -1.001 -6.033 1.00 25.00 C ATOM 89 C CYS A 7 -6.679 -0.220 -5.669 1.00 25.00 C ATOM 90 O CYS A 7 -7.759 -0.568 -6.148 1.00 25.00 O ATOM 91 CB CYS A 7 -5.087 -2.111 -5.021 1.00 25.00 C ATOM 92 SG CYS A 7 -6.305 -3.455 -4.967 1.00 25.00 S ATOM 0 H CYS A 7 -3.630 -0.061 -5.379 1.00 25.00 H new ATOM 0 HA CYS A 7 -5.597 -1.507 -6.982 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.111 -2.530 -5.265 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.005 -1.670 -4.028 1.00 25.00 H new ATOM 97 N THR A 8 -6.534 0.840 -4.929 1.00 25.00 N ATOM 98 CA THR A 8 -7.686 1.711 -4.671 1.00 25.00 C ATOM 99 C THR A 8 -7.726 2.749 -5.833 1.00 25.00 C ATOM 100 O THR A 8 -6.689 3.083 -6.387 1.00 25.00 O ATOM 101 CB THR A 8 -7.596 2.404 -3.261 1.00 25.00 C ATOM 102 OG1 THR A 8 -8.639 3.364 -3.111 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.256 3.162 -3.101 1.00 25.00 C ATOM 0 H THR A 8 -5.659 1.134 -4.494 1.00 25.00 H new ATOM 0 HA THR A 8 -8.609 1.132 -4.642 1.00 25.00 H new ATOM 0 HB THR A 8 -7.680 1.616 -2.512 1.00 25.00 H new ATOM 0 HG1 THR A 8 -8.571 3.785 -2.229 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.219 3.632 -2.118 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.427 2.461 -3.199 1.00 25.00 H new ATOM 0 HG23 THR A 8 -6.177 3.928 -3.873 1.00 25.00 H new ATOM 111 N SER A 9 -8.945 3.169 -6.211 1.00 25.00 N ATOM 112 CA SER A 9 -9.183 4.006 -7.411 1.00 25.00 C ATOM 113 C SER A 9 -8.647 3.345 -8.697 1.00 25.00 C ATOM 114 O SER A 9 -8.634 2.099 -8.731 1.00 25.00 O ATOM 115 CB SER A 9 -8.647 5.435 -7.187 1.00 25.00 C ATOM 116 OG SER A 9 -9.251 6.395 -8.051 1.00 25.00 O ATOM 0 H SER A 9 -9.796 2.941 -5.697 1.00 25.00 H new ATOM 0 HA SER A 9 -10.259 4.090 -7.563 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.822 5.725 -6.151 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.568 5.442 -7.342 1.00 25.00 H new ATOM 0 HG SER A 9 -8.877 7.282 -7.866 1.00 25.00 H new ATOM 122 N ILE A 10 -8.370 4.081 -9.722 1.00 25.00 N ATOM 123 CA ILE A 10 -7.956 3.525 -11.034 1.00 25.00 C ATOM 124 C ILE A 10 -6.448 3.652 -11.126 1.00 25.00 C ATOM 125 O ILE A 10 -5.917 4.761 -11.055 1.00 25.00 O ATOM 126 CB ILE A 10 -8.660 4.275 -12.294 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.196 4.121 -12.223 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.184 3.720 -13.618 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.738 2.676 -12.252 1.00 25.00 C ATOM 0 H ILE A 10 -8.415 5.100 -9.705 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.276 2.485 -11.089 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.381 5.327 -12.232 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.546 4.600 -11.309 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.634 4.668 -13.058 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.679 4.248 -14.433 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.105 3.853 -13.701 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.425 2.658 -13.675 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.826 2.694 -12.197 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.430 2.190 -13.178 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.341 2.121 -11.402 1.00 25.00 H new ATOM 141 N CYS A 11 -5.782 2.522 -11.335 1.00 25.00 N ATOM 142 CA CYS A 11 -4.339 2.551 -11.483 1.00 25.00 C ATOM 143 C CYS A 11 -4.046 2.990 -12.918 1.00 25.00 C ATOM 144 O CYS A 11 -4.515 2.383 -13.886 1.00 25.00 O ATOM 145 CB CYS A 11 -3.780 1.165 -11.237 1.00 25.00 C ATOM 146 SG CYS A 11 -1.941 1.150 -11.195 1.00 25.00 S ATOM 0 H CYS A 11 -6.208 1.598 -11.404 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.880 3.236 -10.770 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.166 0.783 -10.292 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.129 0.491 -12.020 1.00 25.00 H new ATOM 151 N SER A 12 -3.188 3.992 -13.068 1.00 25.00 N ATOM 152 CA SER A 12 -2.755 4.454 -14.392 1.00 25.00 C ATOM 153 C SER A 12 -1.453 3.698 -14.853 1.00 25.00 C ATOM 154 O SER A 12 -0.568 3.400 -14.036 1.00 25.00 O ATOM 155 CB SER A 12 -2.525 5.969 -14.289 1.00 25.00 C ATOM 156 OG SER A 12 -3.709 6.662 -13.964 1.00 25.00 O ATOM 0 H SER A 12 -2.774 4.505 -12.290 1.00 25.00 H new ATOM 0 HA SER A 12 -3.514 4.241 -15.145 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.768 6.170 -13.531 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.135 6.342 -15.236 1.00 25.00 H new ATOM 0 HG SER A 12 -3.521 7.622 -13.906 1.00 25.00 H new ATOM 162 N LEU A 13 -1.290 3.584 -16.164 1.00 25.00 N ATOM 163 CA LEU A 13 -0.110 2.939 -16.836 1.00 25.00 C ATOM 164 C LEU A 13 1.222 3.729 -16.599 1.00 25.00 C ATOM 165 O LEU A 13 2.379 3.137 -16.363 1.00 25.00 O ATOM 166 CB LEU A 13 -0.344 2.570 -18.341 1.00 25.00 C ATOM 167 CG LEU A 13 -0.810 3.692 -19.329 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.221 4.235 -19.065 1.00 25.00 C ATOM 169 CD2 LEU A 13 0.191 4.859 -19.647 1.00 25.00 C ATOM 0 H LEU A 13 -1.977 3.938 -16.829 1.00 25.00 H new ATOM 0 HA LEU A 13 0.006 1.977 -16.337 1.00 25.00 H new ATOM 0 HB2 LEU A 13 0.587 2.155 -18.728 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -1.086 1.772 -18.374 1.00 25.00 H new ATOM 0 HG LEU A 13 -0.834 3.109 -20.249 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.457 5.007 -19.798 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.944 3.424 -19.147 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.265 4.661 -18.063 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -0.273 5.556 -20.344 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.444 5.382 -18.725 1.00 25.00 H new ATOM 0 HD23 LEU A 13 1.098 4.449 -20.093 1.00 25.00 H new ATOM 181 N TYR A 14 1.179 5.034 -16.426 1.00 25.00 N ATOM 182 CA TYR A 14 2.335 5.788 -15.893 1.00 25.00 C ATOM 183 C TYR A 14 2.811 5.332 -14.502 1.00 25.00 C ATOM 184 O TYR A 14 3.971 5.293 -14.131 1.00 25.00 O ATOM 185 CB TYR A 14 1.976 7.272 -15.789 1.00 25.00 C ATOM 186 CG TYR A 14 3.167 8.113 -15.277 1.00 25.00 C ATOM 187 CD1 TYR A 14 4.256 8.282 -16.068 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.041 8.691 -14.034 1.00 25.00 C ATOM 189 CE1 TYR A 14 5.275 9.041 -15.632 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.191 9.549 -13.446 1.00 25.00 C ATOM 191 CZ TYR A 14 5.376 9.673 -14.440 1.00 25.00 C ATOM 192 OH TYR A 14 6.442 10.401 -14.134 1.00 25.00 O ATOM 0 H TYR A 14 0.365 5.610 -16.641 1.00 25.00 H new ATOM 0 HA TYR A 14 3.147 5.600 -16.595 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.664 7.640 -16.766 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.127 7.395 -15.116 1.00 25.00 H new ATOM 0 HD1 TYR A 14 4.303 7.811 -17.039 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.135 8.546 -13.464 1.00 25.00 H new ATOM 0 HE1 TYR A 14 6.108 9.160 -16.309 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.170 10.004 -12.467 1.00 25.00 H new ATOM 0 HH TYR A 14 6.334 10.778 -13.236 1.00 25.00 H new ATOM 202 N GLN A 15 1.815 5.037 -13.583 1.00 25.00 N ATOM 203 CA GLN A 15 2.058 4.683 -12.194 1.00 25.00 C ATOM 204 C GLN A 15 2.640 3.291 -12.164 1.00 25.00 C ATOM 205 O GLN A 15 3.615 3.037 -11.463 1.00 25.00 O ATOM 206 CB GLN A 15 0.766 4.711 -11.334 1.00 25.00 C ATOM 207 CG GLN A 15 0.175 6.115 -11.107 1.00 25.00 C ATOM 208 CD GLN A 15 -1.142 6.064 -10.317 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.107 5.464 -10.766 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.154 6.652 -9.135 1.00 25.00 N ATOM 0 H GLN A 15 0.824 5.049 -13.825 1.00 25.00 H new ATOM 0 HA GLN A 15 2.741 5.419 -11.769 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.012 4.088 -11.815 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.981 4.261 -10.365 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.897 6.730 -10.569 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.002 6.596 -12.070 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.324 7.142 -8.801 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -1.993 6.616 -8.556 1.00 25.00 H new ATOM 219 N LEU A 16 2.067 2.427 -12.963 1.00 25.00 N ATOM 220 CA LEU A 16 2.521 1.024 -13.044 1.00 25.00 C ATOM 221 C LEU A 16 4.004 0.920 -13.477 1.00 25.00 C ATOM 222 O LEU A 16 4.727 0.050 -12.957 1.00 25.00 O ATOM 223 CB LEU A 16 1.690 0.241 -14.098 1.00 25.00 C ATOM 224 CG LEU A 16 0.381 -0.379 -13.594 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.398 -0.983 -14.756 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.608 -1.435 -12.561 1.00 25.00 C ATOM 0 H LEU A 16 1.283 2.652 -13.575 1.00 25.00 H new ATOM 0 HA LEU A 16 2.393 0.605 -12.046 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.456 0.915 -14.922 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.313 -0.555 -14.505 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.189 0.427 -13.132 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.325 -1.420 -14.385 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.629 -0.204 -15.483 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.202 -1.758 -15.233 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.351 -1.841 -12.239 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.216 -2.234 -12.985 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.125 -1.001 -11.705 1.00 25.00 H new ATOM 238 N GLU A 17 4.451 1.740 -14.393 1.00 25.00 N ATOM 239 CA GLU A 17 5.830 1.585 -14.834 1.00 25.00 C ATOM 240 C GLU A 17 6.823 1.837 -13.725 1.00 25.00 C ATOM 241 O GLU A 17 7.942 1.385 -13.815 1.00 25.00 O ATOM 242 CB GLU A 17 6.167 2.533 -15.987 1.00 25.00 C ATOM 243 CG GLU A 17 5.915 1.896 -17.295 1.00 25.00 C ATOM 244 CD GLU A 17 6.616 2.593 -18.407 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.392 3.700 -18.718 1.00 25.00 O ATOM 246 OE2 GLU A 17 7.465 1.876 -19.015 1.00 25.00 O ATOM 0 H GLU A 17 3.919 2.489 -14.835 1.00 25.00 H new ATOM 0 HA GLU A 17 5.910 0.549 -15.163 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.570 3.441 -15.901 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.213 2.832 -15.921 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.240 0.856 -17.259 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.843 1.888 -17.492 1.00 25.00 H new ATOM 254 N ASN A 18 6.430 2.531 -12.660 1.00 25.00 N ATOM 255 CA ASN A 18 7.374 2.870 -11.603 1.00 25.00 C ATOM 256 C ASN A 18 7.767 1.572 -10.880 1.00 25.00 C ATOM 257 O ASN A 18 8.820 1.540 -10.238 1.00 25.00 O ATOM 258 CB ASN A 18 6.721 3.892 -10.615 1.00 25.00 C ATOM 259 CG ASN A 18 6.808 5.326 -11.081 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.428 5.684 -12.098 1.00 25.00 O ATOM 261 ND2 ASN A 18 6.179 6.207 -10.317 1.00 25.00 N ATOM 0 H ASN A 18 5.478 2.865 -12.508 1.00 25.00 H new ATOM 0 HA ASN A 18 8.267 3.337 -12.018 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.673 3.628 -10.473 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.206 3.805 -9.643 1.00 25.00 H new ATOM 0 HD21 ASN A 18 6.198 7.198 -10.559 1.00 25.00 H new ATOM 0 HD22 ASN A 18 5.676 5.895 -9.487 1.00 25.00 H new ATOM 268 N TYR A 19 6.945 0.504 -11.004 1.00 25.00 N ATOM 269 CA TYR A 19 7.226 -0.751 -10.324 1.00 25.00 C ATOM 270 C TYR A 19 8.097 -1.633 -11.204 1.00 25.00 C ATOM 271 O TYR A 19 8.280 -2.813 -10.887 1.00 25.00 O ATOM 272 CB TYR A 19 5.906 -1.482 -10.040 1.00 25.00 C ATOM 273 CG TYR A 19 4.877 -0.693 -9.271 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.188 -0.128 -8.023 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.575 -0.508 -9.782 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.195 0.642 -7.302 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.575 0.259 -9.058 1.00 25.00 C ATOM 278 CZ TYR A 19 2.905 0.818 -7.843 1.00 25.00 C ATOM 279 OH TYR A 19 2.004 1.521 -7.104 1.00 25.00 O ATOM 0 H TYR A 19 6.094 0.500 -11.566 1.00 25.00 H new ATOM 0 HA TYR A 19 7.747 -0.541 -9.390 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.468 -1.787 -10.991 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.128 -2.393 -9.485 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.171 -0.268 -7.599 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.315 -0.947 -10.734 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.444 1.082 -6.348 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.584 0.389 -9.468 1.00 25.00 H new ATOM 0 HH TYR A 19 1.153 1.572 -7.588 1.00 25.00 H new ATOM 289 N CYS A 20 8.638 -1.112 -12.315 1.00 25.00 N ATOM 290 CA CYS A 20 9.579 -1.892 -13.100 1.00 25.00 C ATOM 291 C CYS A 20 10.913 -1.942 -12.397 1.00 25.00 C ATOM 292 O CYS A 20 11.781 -2.740 -12.733 1.00 25.00 O ATOM 293 CB CYS A 20 9.709 -1.323 -14.522 1.00 25.00 C ATOM 294 SG CYS A 20 8.200 -1.436 -15.605 1.00 25.00 S ATOM 0 H CYS A 20 8.441 -0.178 -12.675 1.00 25.00 H new ATOM 0 HA CYS A 20 9.205 -2.911 -13.195 1.00 25.00 H new ATOM 0 HB2 CYS A 20 9.995 -0.274 -14.445 1.00 25.00 H new ATOM 0 HB3 CYS A 20 10.527 -1.840 -15.023 1.00 25.00 H new ATOM 299 N ASN A 21 11.077 -1.092 -11.366 1.00 25.00 N ATOM 300 CA ASN A 21 12.173 -1.283 -10.415 1.00 25.00 C ATOM 301 C ASN A 21 11.789 -2.418 -9.437 1.00 25.00 C ATOM 302 O ASN A 21 12.485 -3.373 -9.189 1.00 25.00 O ATOM 303 CB ASN A 21 12.542 -0.027 -9.630 1.00 25.00 C ATOM 304 CG ASN A 21 13.336 -0.418 -8.399 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.491 -0.721 -8.382 1.00 25.00 O ATOM 306 ND2 ASN A 21 12.651 -0.354 -7.281 1.00 25.00 N ATOM 307 OXT ASN A 21 10.649 -2.248 -8.854 1.00 25.00 O ATOM 0 H ASN A 21 10.478 -0.288 -11.178 1.00 25.00 H new ATOM 0 HA ASN A 21 13.058 -1.540 -10.997 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.128 0.647 -10.255 1.00 25.00 H new ATOM 0 HB3 ASN A 21 11.640 0.511 -9.339 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.105 -0.564 -6.392 1.00 25.00 H new ATOM 0 HD22 ASN A 21 11.665 -0.095 -7.301 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.089 0.478 -23.162 1.00 25.00 N ATOM 317 CA PHE B 1 -5.002 0.033 -21.752 1.00 25.00 C ATOM 318 C PHE B 1 -6.341 0.137 -21.121 1.00 25.00 C ATOM 319 O PHE B 1 -7.143 0.996 -21.359 1.00 25.00 O ATOM 320 CB PHE B 1 -3.944 0.855 -20.972 1.00 25.00 C ATOM 321 CG PHE B 1 -3.526 0.210 -19.649 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.543 -0.790 -19.623 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.156 0.617 -18.452 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.222 -1.402 -18.421 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.782 0.061 -17.224 1.00 25.00 C ATOM 326 CZ PHE B 1 -2.828 -0.953 -17.222 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.263 1.066 -23.392 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.108 -0.353 -23.788 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.958 1.034 -23.298 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.680 -1.008 -21.725 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.062 0.985 -21.599 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.343 1.850 -20.773 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.040 -1.081 -20.533 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.934 1.365 -18.485 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.514 -2.217 -18.399 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.222 0.409 -16.301 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.543 -1.408 -16.285 1.00 25.00 H new ATOM 337 N VAL B 2 -6.594 -0.758 -20.180 1.00 25.00 N ATOM 338 CA VAL B 2 -7.867 -0.857 -19.497 1.00 25.00 C ATOM 339 C VAL B 2 -7.789 -0.108 -18.188 1.00 25.00 C ATOM 340 O VAL B 2 -6.969 -0.440 -17.313 1.00 25.00 O ATOM 341 CB VAL B 2 -8.294 -2.364 -19.205 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.632 -2.419 -18.501 1.00 25.00 C ATOM 343 CG2 VAL B 2 -8.348 -3.163 -20.518 1.00 25.00 C ATOM 0 H VAL B 2 -5.908 -1.445 -19.867 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.620 -0.423 -20.155 1.00 25.00 H new ATOM 0 HB VAL B 2 -7.547 -2.811 -18.549 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.902 -3.458 -18.313 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.567 -1.884 -17.554 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.393 -1.955 -19.129 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -8.641 -4.191 -20.306 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.076 -2.709 -21.190 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -7.365 -3.155 -20.989 1.00 25.00 H new ATOM 353 N ASN B 3 -8.642 0.878 -18.033 1.00 25.00 N ATOM 354 CA ASN B 3 -8.732 1.653 -16.770 1.00 25.00 C ATOM 355 C ASN B 3 -9.566 0.855 -15.710 1.00 25.00 C ATOM 356 O ASN B 3 -10.796 0.900 -15.730 1.00 25.00 O ATOM 357 CB ASN B 3 -9.470 3.009 -17.019 1.00 25.00 C ATOM 358 CG ASN B 3 -8.606 4.043 -17.727 1.00 25.00 C ATOM 359 OD1 ASN B 3 -7.492 4.324 -17.339 1.00 25.00 O ATOM 360 ND2 ASN B 3 -9.097 4.549 -18.808 1.00 25.00 N ATOM 0 H ASN B 3 -9.295 1.180 -18.756 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.718 1.829 -16.411 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -10.364 2.824 -17.614 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -9.801 3.415 -16.063 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.545 5.204 -19.361 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.037 4.294 -19.109 1.00 25.00 H new ATOM 367 N GLN B 4 -8.905 0.132 -14.818 1.00 25.00 N ATOM 368 CA GLN B 4 -9.578 -0.668 -13.777 1.00 25.00 C ATOM 369 C GLN B 4 -8.771 -0.775 -12.473 1.00 25.00 C ATOM 370 O GLN B 4 -7.619 -0.350 -12.408 1.00 25.00 O ATOM 371 CB GLN B 4 -9.827 -2.055 -14.301 1.00 25.00 C ATOM 372 CG GLN B 4 -11.306 -2.224 -14.639 1.00 25.00 C ATOM 373 CD GLN B 4 -11.778 -3.626 -14.498 1.00 25.00 C ATOM 374 OE1 GLN B 4 -11.087 -4.565 -14.792 1.00 25.00 O ATOM 375 NE2 GLN B 4 -12.913 -3.765 -13.911 1.00 25.00 N ATOM 0 H GLN B 4 -7.887 0.076 -14.786 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.510 -0.154 -13.542 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.219 -2.233 -15.188 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.528 -2.793 -13.557 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -11.898 -1.580 -13.988 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -11.480 -1.889 -15.662 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -13.471 -2.943 -13.678 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -13.256 -4.697 -13.678 1.00 25.00 H new ATOM 384 N HIS B 5 -9.387 -1.374 -11.452 1.00 25.00 N ATOM 385 CA HIS B 5 -8.683 -1.619 -10.163 1.00 25.00 C ATOM 386 C HIS B 5 -7.867 -2.930 -10.303 1.00 25.00 C ATOM 387 O HIS B 5 -8.248 -4.003 -9.826 1.00 25.00 O ATOM 388 CB HIS B 5 -9.674 -1.696 -8.970 1.00 25.00 C ATOM 389 CG HIS B 5 -10.841 -0.777 -9.133 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.805 0.605 -8.910 1.00 25.00 N ATOM 391 CD2 HIS B 5 -12.126 -1.019 -9.493 1.00 25.00 C ATOM 392 CE1 HIS B 5 -12.007 1.105 -9.128 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.814 0.143 -9.495 1.00 25.00 N ATOM 0 H HIS B 5 -10.354 -1.698 -11.477 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.015 -0.785 -9.949 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.034 -2.720 -8.867 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.147 -1.449 -8.048 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.984 1.138 -8.625 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.535 -1.988 -9.739 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -12.281 2.144 -9.020 1.00 25.00 H new ATOM 402 N LEU B 6 -6.791 -2.838 -11.077 1.00 25.00 N ATOM 403 CA LEU B 6 -5.960 -4.016 -11.423 1.00 25.00 C ATOM 404 C LEU B 6 -5.041 -4.346 -10.240 1.00 25.00 C ATOM 405 O LEU B 6 -3.943 -3.805 -10.070 1.00 25.00 O ATOM 406 CB LEU B 6 -5.126 -3.713 -12.681 1.00 25.00 C ATOM 407 CG LEU B 6 -5.921 -3.553 -13.970 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.039 -3.038 -15.107 1.00 25.00 C ATOM 409 CD2 LEU B 6 -6.609 -4.829 -14.393 1.00 25.00 C ATOM 0 H LEU B 6 -6.462 -1.963 -11.484 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.601 -4.873 -11.630 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.559 -2.798 -12.508 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.402 -4.516 -12.818 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.695 -2.816 -13.756 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -5.636 -2.935 -16.013 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -4.623 -2.068 -14.834 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.228 -3.743 -15.286 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -7.160 -4.656 -15.317 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.864 -5.608 -14.555 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -7.300 -5.146 -13.612 1.00 25.00 H new ATOM 421 N CYS B 7 -5.534 -5.233 -9.359 1.00 25.00 N ATOM 422 CA CYS B 7 -4.788 -5.643 -8.191 1.00 25.00 C ATOM 423 C CYS B 7 -4.243 -7.085 -8.350 1.00 25.00 C ATOM 424 O CYS B 7 -4.494 -7.744 -9.367 1.00 25.00 O ATOM 425 CB CYS B 7 -5.724 -5.588 -6.994 1.00 25.00 C ATOM 426 SG CYS B 7 -6.609 -3.982 -6.880 1.00 25.00 S ATOM 0 H CYS B 7 -6.450 -5.672 -9.448 1.00 25.00 H new ATOM 0 HA CYS B 7 -3.936 -4.976 -8.056 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.451 -6.397 -7.065 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.153 -5.752 -6.080 1.00 25.00 H new HETATM 431 N AIB B 8 -3.535 -7.573 -7.290 1.00 25.00 N HETATM 432 CA AIB B 8 -2.987 -8.972 -7.117 1.00 25.00 C HETATM 433 C AIB B 8 -2.154 -9.454 -8.387 1.00 25.00 C HETATM 434 O AIB B 8 -1.414 -8.689 -8.985 1.00 25.00 O HETATM 435 CB1 AIB B 8 -4.249 -9.894 -6.828 1.00 25.00 C HETATM 436 CB2 AIB B 8 -2.047 -8.998 -5.866 1.00 25.00 C HETATM 0 H AIB B 8 -3.315 -6.981 -6.489 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -3.923 -10.925 -6.692 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -4.751 -9.550 -5.924 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -4.940 -9.840 -7.670 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -1.647 -10.003 -5.733 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -1.226 -8.297 -6.013 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -2.613 -8.712 -4.979 1.00 25.00 H new ATOM 444 N SER B 9 -2.377 -10.725 -8.811 1.00 25.00 N ATOM 445 CA SER B 9 -1.726 -11.278 -9.977 1.00 25.00 C ATOM 446 C SER B 9 -1.928 -10.365 -11.226 1.00 25.00 C ATOM 447 O SER B 9 -1.037 -10.179 -12.031 1.00 25.00 O ATOM 448 CB SER B 9 -2.300 -12.705 -10.196 1.00 25.00 C ATOM 449 OG SER B 9 -1.711 -13.311 -11.290 1.00 25.00 O ATOM 0 H SER B 9 -3.012 -11.372 -8.343 1.00 25.00 H new ATOM 0 HA SER B 9 -0.648 -11.334 -9.824 1.00 25.00 H new ATOM 0 HB2 SER B 9 -2.131 -13.310 -9.305 1.00 25.00 H new ATOM 0 HB3 SER B 9 -3.379 -12.649 -10.343 1.00 25.00 H new ATOM 0 HG SER B 9 -2.086 -14.209 -11.408 1.00 25.00 H new ATOM 455 N HIS B 10 -3.136 -9.819 -11.382 1.00 25.00 N ATOM 456 CA HIS B 10 -3.421 -9.000 -12.516 1.00 25.00 C ATOM 457 C HIS B 10 -2.626 -7.650 -12.489 1.00 25.00 C ATOM 458 O HIS B 10 -2.453 -7.020 -13.547 1.00 25.00 O ATOM 459 CB HIS B 10 -4.934 -8.709 -12.623 1.00 25.00 C ATOM 460 CG HIS B 10 -5.758 -9.957 -12.747 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.134 -9.974 -12.813 1.00 25.00 N ATOM 462 CD2 HIS B 10 -5.387 -11.263 -12.885 1.00 25.00 C ATOM 463 CE1 HIS B 10 -7.543 -11.243 -12.977 1.00 25.00 C ATOM 464 NE2 HIS B 10 -6.504 -12.021 -13.000 1.00 25.00 N ATOM 0 H HIS B 10 -3.913 -9.940 -10.732 1.00 25.00 H new ATOM 0 HA HIS B 10 -3.099 -9.562 -13.392 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.256 -8.153 -11.743 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.117 -8.071 -13.488 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -4.372 -11.631 -12.900 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.570 -11.564 -13.074 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -6.525 -13.037 -13.090 1.00 25.00 H new ATOM 473 N LEU B 11 -2.120 -7.253 -11.347 1.00 25.00 N ATOM 474 CA LEU B 11 -1.278 -6.058 -11.278 1.00 25.00 C ATOM 475 C LEU B 11 0.056 -6.350 -11.902 1.00 25.00 C ATOM 476 O LEU B 11 0.599 -5.546 -12.640 1.00 25.00 O ATOM 477 CB LEU B 11 -1.142 -5.596 -9.847 1.00 25.00 C ATOM 478 CG LEU B 11 -0.531 -4.205 -9.609 1.00 25.00 C ATOM 479 CD1 LEU B 11 -1.006 -3.640 -8.296 1.00 25.00 C ATOM 480 CD2 LEU B 11 0.998 -4.250 -9.617 1.00 25.00 C ATOM 0 H LEU B 11 -2.267 -7.726 -10.455 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.743 -5.246 -11.837 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.132 -5.611 -9.392 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -0.535 -6.327 -9.313 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.860 -3.563 -10.426 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.564 -2.655 -8.143 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.092 -3.552 -8.309 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.705 -4.303 -7.485 1.00 25.00 H new ATOM 0 HD21 LEU B 11 1.392 -3.248 -9.446 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.347 -4.917 -8.829 1.00 25.00 H new ATOM 0 HD23 LEU B 11 1.346 -4.617 -10.583 1.00 25.00 H new ATOM 492 N VAL B 12 0.534 -7.527 -11.635 1.00 25.00 N ATOM 493 CA VAL B 12 1.844 -7.966 -12.105 1.00 25.00 C ATOM 494 C VAL B 12 1.766 -8.151 -13.597 1.00 25.00 C ATOM 495 O VAL B 12 2.694 -7.777 -14.360 1.00 25.00 O ATOM 496 CB VAL B 12 2.234 -9.308 -11.372 1.00 25.00 C ATOM 497 CG1 VAL B 12 3.639 -9.772 -11.798 1.00 25.00 C ATOM 498 CG2 VAL B 12 2.146 -9.166 -9.838 1.00 25.00 C ATOM 0 H VAL B 12 0.036 -8.225 -11.083 1.00 25.00 H new ATOM 0 HA VAL B 12 2.614 -7.228 -11.881 1.00 25.00 H new ATOM 0 HB VAL B 12 1.513 -10.068 -11.672 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.888 -10.699 -11.281 1.00 25.00 H new ATOM 0 HG12 VAL B 12 3.655 -9.941 -12.875 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.369 -9.005 -11.540 1.00 25.00 H new ATOM 0 HG21 VAL B 12 2.422 -10.110 -9.369 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.827 -8.383 -9.505 1.00 25.00 H new ATOM 0 HG23 VAL B 12 1.127 -8.904 -9.555 1.00 25.00 H new ATOM 508 N GLU B 13 0.642 -8.706 -14.035 1.00 25.00 N ATOM 509 CA GLU B 13 0.405 -8.892 -15.447 1.00 25.00 C ATOM 510 C GLU B 13 0.455 -7.530 -16.157 1.00 25.00 C ATOM 511 O GLU B 13 1.041 -7.424 -17.236 1.00 25.00 O ATOM 512 CB GLU B 13 -0.997 -9.533 -15.629 1.00 25.00 C ATOM 513 CG GLU B 13 -1.375 -9.791 -17.089 1.00 25.00 C ATOM 514 CD GLU B 13 -2.781 -10.299 -17.244 1.00 25.00 C ATOM 515 OE1 GLU B 13 -3.640 -10.189 -16.374 1.00 25.00 O ATOM 516 OE2 GLU B 13 -2.997 -10.880 -18.378 1.00 25.00 O ATOM 0 H GLU B 13 -0.112 -9.031 -13.430 1.00 25.00 H new ATOM 0 HA GLU B 13 1.167 -9.542 -15.877 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.028 -10.476 -15.084 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -1.745 -8.880 -15.180 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.262 -8.868 -17.658 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.682 -10.516 -17.517 1.00 25.00 H new ATOM 524 N ALA B 14 -0.216 -6.555 -15.576 1.00 25.00 N ATOM 525 CA ALA B 14 -0.321 -5.231 -16.175 1.00 25.00 C ATOM 526 C ALA B 14 1.060 -4.543 -16.205 1.00 25.00 C ATOM 527 O ALA B 14 1.414 -3.874 -17.145 1.00 25.00 O ATOM 528 CB ALA B 14 -1.284 -4.416 -15.415 1.00 25.00 C ATOM 0 H ALA B 14 -0.701 -6.652 -14.684 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.675 -5.333 -17.201 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.359 -3.427 -15.866 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.262 -4.898 -15.432 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.945 -4.319 -14.384 1.00 25.00 H new ATOM 534 N LEU B 15 1.847 -4.753 -15.142 1.00 25.00 N ATOM 535 CA LEU B 15 3.164 -4.170 -14.982 1.00 25.00 C ATOM 536 C LEU B 15 4.123 -4.748 -16.066 1.00 25.00 C ATOM 537 O LEU B 15 4.917 -3.996 -16.633 1.00 25.00 O ATOM 538 CB LEU B 15 3.630 -4.535 -13.577 1.00 25.00 C ATOM 539 CG LEU B 15 4.808 -3.806 -12.948 1.00 25.00 C ATOM 540 CD1 LEU B 15 5.352 -4.782 -11.890 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.955 -3.393 -13.843 1.00 25.00 C ATOM 0 H LEU B 15 1.571 -5.346 -14.360 1.00 25.00 H new ATOM 0 HA LEU B 15 3.151 -3.087 -15.106 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.777 -4.407 -12.910 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.873 -5.597 -13.583 1.00 25.00 H new ATOM 0 HG LEU B 15 4.424 -2.852 -12.587 1.00 25.00 H new ATOM 0 HD11 LEU B 15 6.208 -4.333 -11.386 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.573 -4.998 -11.159 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.661 -5.708 -12.374 1.00 25.00 H new ATOM 0 HD21 LEU B 15 6.715 -2.885 -13.249 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.389 -4.277 -14.309 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.588 -2.718 -14.616 1.00 25.00 H new ATOM 553 N TYR B 16 3.984 -6.022 -16.367 1.00 25.00 N ATOM 554 CA TYR B 16 4.718 -6.648 -17.465 1.00 25.00 C ATOM 555 C TYR B 16 4.279 -6.085 -18.815 1.00 25.00 C ATOM 556 O TYR B 16 5.114 -5.778 -19.678 1.00 25.00 O ATOM 557 CB TYR B 16 4.424 -8.152 -17.456 1.00 25.00 C ATOM 558 CG TYR B 16 5.150 -8.941 -18.540 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.538 -9.195 -18.461 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.423 -9.429 -19.660 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.220 -9.895 -19.474 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.099 -10.180 -20.668 1.00 25.00 C ATOM 563 CZ TYR B 16 6.495 -10.375 -20.575 1.00 25.00 C ATOM 564 OH TYR B 16 7.154 -11.047 -21.575 1.00 25.00 O ATOM 0 H TYR B 16 3.364 -6.657 -15.865 1.00 25.00 H new ATOM 0 HA TYR B 16 5.781 -6.448 -17.328 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.699 -8.558 -16.482 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.350 -8.301 -17.572 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.089 -8.843 -17.602 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.365 -9.232 -19.748 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.285 -10.060 -19.405 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.546 -10.597 -21.497 1.00 25.00 H new ATOM 0 HH TYR B 16 6.513 -11.316 -22.266 1.00 25.00 H new ATOM 574 N LEU B 17 2.993 -5.934 -19.002 1.00 25.00 N ATOM 575 CA LEU B 17 2.486 -5.411 -20.274 1.00 25.00 C ATOM 576 C LEU B 17 2.941 -3.983 -20.538 1.00 25.00 C ATOM 577 O LEU B 17 3.302 -3.644 -21.656 1.00 25.00 O ATOM 578 CB LEU B 17 0.970 -5.457 -20.333 1.00 25.00 C ATOM 579 CG LEU B 17 0.407 -6.896 -20.371 1.00 25.00 C ATOM 580 CD1 LEU B 17 -1.112 -6.872 -20.074 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.643 -7.528 -21.763 1.00 25.00 C ATOM 0 H LEU B 17 2.277 -6.157 -18.311 1.00 25.00 H new ATOM 0 HA LEU B 17 2.902 -6.059 -21.045 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.563 -4.937 -19.466 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.630 -4.917 -21.217 1.00 25.00 H new ATOM 0 HG LEU B 17 0.920 -7.491 -19.615 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.504 -7.889 -20.102 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.283 -6.444 -19.086 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.620 -6.266 -20.825 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.242 -8.541 -21.775 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.142 -6.930 -22.524 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.712 -7.559 -21.972 1.00 25.00 H new ATOM 593 N VAL B 18 2.930 -3.144 -19.503 1.00 25.00 N ATOM 594 CA VAL B 18 3.315 -1.739 -19.671 1.00 25.00 C ATOM 595 C VAL B 18 4.857 -1.537 -19.783 1.00 25.00 C ATOM 596 O VAL B 18 5.304 -0.589 -20.419 1.00 25.00 O ATOM 597 CB VAL B 18 2.785 -0.762 -18.516 1.00 25.00 C ATOM 598 CG1 VAL B 18 1.220 -0.838 -18.409 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.427 -1.036 -17.141 1.00 25.00 C ATOM 0 H VAL B 18 2.664 -3.404 -18.553 1.00 25.00 H new ATOM 0 HA VAL B 18 2.829 -1.470 -20.609 1.00 25.00 H new ATOM 0 HB VAL B 18 3.086 0.245 -18.804 1.00 25.00 H new ATOM 0 HG11 VAL B 18 0.876 -0.169 -17.620 1.00 25.00 H new ATOM 0 HG12 VAL B 18 0.775 -0.539 -19.358 1.00 25.00 H new ATOM 0 HG13 VAL B 18 0.921 -1.859 -18.174 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.024 -0.340 -16.406 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.205 -2.058 -16.833 1.00 25.00 H new ATOM 0 HG23 VAL B 18 4.507 -0.905 -17.211 1.00 25.00 H new ATOM 609 N CYS B 19 5.641 -2.392 -19.124 1.00 25.00 N ATOM 610 CA CYS B 19 7.122 -2.385 -19.222 1.00 25.00 C ATOM 611 C CYS B 19 7.519 -3.049 -20.576 1.00 25.00 C ATOM 612 O CYS B 19 8.631 -2.828 -21.101 1.00 25.00 O ATOM 613 CB CYS B 19 7.762 -3.223 -18.117 1.00 25.00 C ATOM 614 SG CYS B 19 9.060 -2.297 -17.232 1.00 25.00 S ATOM 0 H CYS B 19 5.277 -3.115 -18.503 1.00 25.00 H new ATOM 0 HA CYS B 19 7.464 -1.353 -19.139 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.995 -3.540 -17.410 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.191 -4.128 -18.549 1.00 25.00 H new ATOM 619 N GLY B 20 6.586 -3.769 -21.124 1.00 25.00 N ATOM 620 CA GLY B 20 6.767 -4.410 -22.404 1.00 25.00 C ATOM 621 C GLY B 20 7.216 -5.877 -22.288 1.00 25.00 C ATOM 622 O GLY B 20 7.589 -6.295 -21.234 1.00 25.00 O ATOM 0 H GLY B 20 5.673 -3.932 -20.699 1.00 25.00 H new ATOM 0 HA2 GLY B 20 5.831 -4.366 -22.961 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.507 -3.855 -22.980 1.00 25.00 H new ATOM 626 N GLU B 21 7.315 -6.601 -23.382 1.00 25.00 N ATOM 627 CA GLU B 21 7.849 -7.980 -23.376 1.00 25.00 C ATOM 628 C GLU B 21 9.307 -7.985 -23.001 1.00 25.00 C ATOM 629 O GLU B 21 9.876 -9.005 -22.685 1.00 25.00 O ATOM 630 CB GLU B 21 7.630 -8.629 -24.735 1.00 25.00 C ATOM 631 CG GLU B 21 6.145 -8.809 -25.052 1.00 25.00 C ATOM 632 CD GLU B 21 5.920 -9.348 -26.419 1.00 25.00 C ATOM 633 OE1 GLU B 21 6.542 -9.002 -27.391 1.00 25.00 O ATOM 634 OE2 GLU B 21 4.955 -10.186 -26.455 1.00 25.00 O ATOM 0 H GLU B 21 7.034 -6.269 -24.305 1.00 25.00 H new ATOM 0 HA GLU B 21 7.313 -8.562 -22.626 1.00 25.00 H new ATOM 0 HB2 GLU B 21 8.094 -8.016 -25.508 1.00 25.00 H new ATOM 0 HB3 GLU B 21 8.126 -9.600 -24.757 1.00 25.00 H new ATOM 0 HG2 GLU B 21 5.699 -9.483 -24.320 1.00 25.00 H new ATOM 0 HG3 GLU B 21 5.636 -7.850 -24.954 1.00 25.00 H new ATOM 642 N ARG B 22 9.893 -6.788 -23.027 1.00 25.00 N ATOM 643 CA ARG B 22 11.289 -6.556 -22.662 1.00 25.00 C ATOM 644 C ARG B 22 11.441 -6.785 -21.165 1.00 25.00 C ATOM 645 O ARG B 22 12.511 -7.153 -20.735 1.00 25.00 O ATOM 646 CB ARG B 22 11.664 -5.111 -23.035 1.00 25.00 C ATOM 647 CG ARG B 22 11.663 -4.836 -24.503 1.00 25.00 C ATOM 648 CD ARG B 22 10.481 -3.960 -24.949 1.00 25.00 C ATOM 649 NE ARG B 22 10.679 -2.553 -24.547 1.00 25.00 N ATOM 650 CZ ARG B 22 9.799 -1.566 -24.745 1.00 25.00 C ATOM 651 NH1 ARG B 22 8.600 -1.749 -25.225 1.00 25.00 N ATOM 652 NH2 ARG B 22 10.161 -0.335 -24.434 1.00 25.00 N ATOM 0 H ARG B 22 9.402 -5.939 -23.307 1.00 25.00 H new ATOM 0 HA ARG B 22 11.952 -7.238 -23.194 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.966 -4.430 -22.549 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.654 -4.890 -22.636 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.596 -4.343 -24.775 1.00 25.00 H new ATOM 0 HG3 ARG B 22 11.632 -5.782 -25.044 1.00 25.00 H new ATOM 0 HD2 ARG B 22 10.369 -4.020 -26.032 1.00 25.00 H new ATOM 0 HD3 ARG B 22 9.558 -4.340 -24.511 1.00 25.00 H new ATOM 0 HE ARG B 22 11.555 -2.316 -24.082 1.00 25.00 H new ATOM 0 HH11 ARG B 22 8.288 -2.688 -25.473 1.00 25.00 H new ATOM 0 HH12 ARG B 22 7.975 -0.953 -25.353 1.00 25.00 H new ATOM 0 HH21 ARG B 22 11.091 -0.157 -24.054 1.00 25.00 H new ATOM 0 HH22 ARG B 22 9.511 0.438 -24.574 1.00 25.00 H new ATOM 666 N GLY B 23 10.376 -6.564 -20.392 1.00 25.00 N ATOM 667 CA GLY B 23 10.388 -6.910 -18.996 1.00 25.00 C ATOM 668 C GLY B 23 10.979 -5.858 -18.078 1.00 25.00 C ATOM 669 O GLY B 23 11.382 -4.786 -18.487 1.00 25.00 O ATOM 0 H GLY B 23 9.504 -6.148 -20.720 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.365 -7.113 -18.679 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.950 -7.836 -18.872 1.00 25.00 H new ATOM 673 N PHE B 24 10.937 -6.222 -16.765 1.00 25.00 N ATOM 674 CA PHE B 24 11.432 -5.390 -15.720 1.00 25.00 C ATOM 675 C PHE B 24 12.936 -5.762 -15.551 1.00 25.00 C ATOM 676 O PHE B 24 13.666 -5.775 -16.526 1.00 25.00 O ATOM 677 CB PHE B 24 10.600 -5.634 -14.441 1.00 25.00 C ATOM 678 CG PHE B 24 9.661 -6.842 -14.521 1.00 25.00 C ATOM 679 CD1 PHE B 24 10.200 -8.161 -14.491 1.00 25.00 C ATOM 680 CD2 PHE B 24 8.278 -6.674 -14.640 1.00 25.00 C ATOM 681 CE1 PHE B 24 9.349 -9.275 -14.560 1.00 25.00 C ATOM 682 CE2 PHE B 24 7.380 -7.784 -14.691 1.00 25.00 C ATOM 683 CZ PHE B 24 7.928 -9.086 -14.659 1.00 25.00 C ATOM 0 H PHE B 24 10.551 -7.109 -16.440 1.00 25.00 H new ATOM 0 HA PHE B 24 11.346 -4.326 -15.940 1.00 25.00 H new ATOM 0 HB2 PHE B 24 11.280 -5.772 -13.600 1.00 25.00 H new ATOM 0 HB3 PHE B 24 10.009 -4.743 -14.230 1.00 25.00 H new ATOM 0 HD1 PHE B 24 11.268 -8.304 -14.415 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.876 -5.673 -14.695 1.00 25.00 H new ATOM 0 HE1 PHE B 24 9.762 -10.273 -14.539 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.312 -7.632 -14.752 1.00 25.00 H new ATOM 0 HZ PHE B 24 7.275 -9.945 -14.709 1.00 25.00 H new ATOM 693 N PHE B 25 13.430 -6.034 -14.356 1.00 25.00 N ATOM 694 CA PHE B 25 14.837 -6.413 -14.176 1.00 25.00 C ATOM 695 C PHE B 25 15.078 -7.848 -14.605 1.00 25.00 C ATOM 696 O PHE B 25 14.703 -8.790 -13.901 1.00 25.00 O ATOM 697 CB PHE B 25 15.328 -6.284 -12.741 1.00 25.00 C ATOM 698 CG PHE B 25 15.425 -4.898 -12.248 1.00 25.00 C ATOM 699 CD1 PHE B 25 15.843 -3.848 -13.104 1.00 25.00 C ATOM 700 CD2 PHE B 25 15.108 -4.600 -10.915 1.00 25.00 C ATOM 701 CE1 PHE B 25 15.915 -2.512 -12.624 1.00 25.00 C ATOM 702 CE2 PHE B 25 15.239 -3.254 -10.433 1.00 25.00 C ATOM 703 CZ PHE B 25 15.596 -2.231 -11.282 1.00 25.00 C ATOM 0 H PHE B 25 12.887 -6.002 -13.493 1.00 25.00 H new ATOM 0 HA PHE B 25 15.391 -5.712 -14.800 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.655 -6.841 -12.089 1.00 25.00 H new ATOM 0 HB3 PHE B 25 16.309 -6.753 -12.663 1.00 25.00 H new ATOM 0 HD1 PHE B 25 16.109 -4.065 -14.128 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.766 -5.381 -10.252 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.214 -1.714 -13.288 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.055 -3.041 -9.390 1.00 25.00 H new ATOM 0 HZ PHE B 25 15.631 -1.214 -10.919 1.00 25.00 H new ATOM 713 N TYR B 26 15.809 -7.987 -15.682 1.00 25.00 N ATOM 714 CA TYR B 26 16.391 -9.286 -16.101 1.00 25.00 C ATOM 715 C TYR B 26 17.915 -9.133 -15.967 1.00 25.00 C ATOM 716 O TYR B 26 18.727 -9.912 -16.514 1.00 25.00 O ATOM 717 CB TYR B 26 15.999 -9.605 -17.557 1.00 25.00 C ATOM 718 CG TYR B 26 14.536 -9.823 -17.789 1.00 25.00 C ATOM 719 CD1 TYR B 26 13.691 -10.232 -16.742 1.00 25.00 C ATOM 720 CD2 TYR B 26 13.947 -9.674 -19.070 1.00 25.00 C ATOM 721 CE1 TYR B 26 12.307 -10.489 -16.966 1.00 25.00 C ATOM 722 CE2 TYR B 26 12.593 -9.910 -19.305 1.00 25.00 C ATOM 723 CZ TYR B 26 11.777 -10.368 -18.216 1.00 25.00 C ATOM 724 OH TYR B 26 10.425 -10.652 -18.387 1.00 25.00 O ATOM 0 H TYR B 26 16.032 -7.215 -16.310 1.00 25.00 H new ATOM 0 HA TYR B 26 16.023 -10.107 -15.486 1.00 25.00 H new ATOM 0 HB2 TYR B 26 16.334 -8.787 -18.194 1.00 25.00 H new ATOM 0 HB3 TYR B 26 16.538 -10.498 -17.875 1.00 25.00 H new ATOM 0 HD1 TYR B 26 14.098 -10.354 -15.749 1.00 25.00 H new ATOM 0 HD2 TYR B 26 14.571 -9.366 -19.896 1.00 25.00 H new ATOM 0 HE1 TYR B 26 11.675 -10.781 -16.141 1.00 25.00 H new ATOM 0 HE2 TYR B 26 12.167 -9.752 -20.285 1.00 25.00 H new ATOM 0 HH TYR B 26 9.940 -10.446 -17.560 1.00 25.00 H new ATOM 734 N THR B 27 18.301 -8.076 -15.262 1.00 25.00 N ATOM 735 CA THR B 27 19.717 -7.747 -15.056 1.00 25.00 C ATOM 736 C THR B 27 20.302 -8.541 -13.895 1.00 25.00 C ATOM 737 O THR B 27 20.157 -8.114 -12.725 1.00 25.00 O ATOM 738 CB THR B 27 19.841 -6.258 -14.688 1.00 25.00 C ATOM 739 OG1 THR B 27 18.723 -5.919 -13.867 1.00 25.00 O ATOM 740 CG2 THR B 27 19.752 -5.332 -15.920 1.00 25.00 C ATOM 0 H THR B 27 17.653 -7.425 -14.819 1.00 25.00 H new ATOM 0 HA THR B 27 20.251 -7.985 -15.976 1.00 25.00 H new ATOM 0 HB THR B 27 20.808 -6.121 -14.203 1.00 25.00 H new ATOM 0 HG1 THR B 27 18.703 -6.507 -13.083 1.00 25.00 H new ATOM 0 HG21 THR B 27 19.845 -4.294 -15.602 1.00 25.00 H new ATOM 0 HG22 THR B 27 20.557 -5.573 -16.615 1.00 25.00 H new ATOM 0 HG23 THR B 27 18.791 -5.475 -16.414 1.00 25.00 H new ATOM 748 N LYS B 28 20.823 -9.727 -14.148 1.00 25.00 N ATOM 749 CA LYS B 28 21.418 -10.492 -13.045 1.00 25.00 C ATOM 750 C LYS B 28 22.815 -9.877 -12.708 1.00 25.00 C ATOM 751 O LYS B 28 23.577 -9.500 -13.630 1.00 25.00 O ATOM 752 CB LYS B 28 21.592 -11.972 -13.412 1.00 25.00 C ATOM 753 CG LYS B 28 20.308 -12.823 -13.461 1.00 25.00 C ATOM 754 CD LYS B 28 20.647 -14.304 -13.618 1.00 25.00 C ATOM 755 CE LYS B 28 19.436 -15.216 -13.332 1.00 25.00 C ATOM 756 NZ LYS B 28 18.423 -15.042 -14.400 1.00 25.00 N ATOM 0 H LYS B 28 20.852 -10.175 -15.064 1.00 25.00 H new ATOM 0 HA LYS B 28 20.750 -10.437 -12.185 1.00 25.00 H new ATOM 0 HB2 LYS B 28 22.076 -12.027 -14.387 1.00 25.00 H new ATOM 0 HB3 LYS B 28 22.274 -12.424 -12.692 1.00 25.00 H new ATOM 0 HG2 LYS B 28 19.731 -12.672 -12.549 1.00 25.00 H new ATOM 0 HG3 LYS B 28 19.682 -12.498 -14.292 1.00 25.00 H new ATOM 0 HD2 LYS B 28 21.005 -14.487 -14.631 1.00 25.00 H new ATOM 0 HD3 LYS B 28 21.461 -14.562 -12.941 1.00 25.00 H new ATOM 0 HE2 LYS B 28 19.755 -16.257 -13.284 1.00 25.00 H new ATOM 0 HE3 LYS B 28 19.003 -14.970 -12.362 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 17.614 -15.669 -14.217 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 18.099 -14.054 -14.414 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 18.844 -15.281 -15.320 1.00 25.00 H new ATOM 770 N PRO B 29 23.187 -9.810 -11.402 1.00 25.00 N ATOM 771 CA PRO B 29 24.511 -9.298 -11.026 1.00 25.00 C ATOM 772 C PRO B 29 25.672 -10.290 -11.320 1.00 25.00 C ATOM 773 O PRO B 29 25.999 -11.210 -10.561 1.00 25.00 O ATOM 774 CB PRO B 29 24.359 -9.080 -9.523 1.00 25.00 C ATOM 775 CG PRO B 29 23.362 -10.034 -9.067 1.00 25.00 C ATOM 776 CD PRO B 29 22.404 -10.192 -10.187 1.00 25.00 C ATOM 0 HA PRO B 29 24.780 -8.408 -11.595 1.00 25.00 H new ATOM 0 HB2 PRO B 29 25.308 -9.236 -9.010 1.00 25.00 H new ATOM 0 HB3 PRO B 29 24.045 -8.058 -9.309 1.00 25.00 H new ATOM 0 HG2 PRO B 29 23.823 -10.988 -8.811 1.00 25.00 H new ATOM 0 HG3 PRO B 29 22.858 -9.673 -8.171 1.00 25.00 H new ATOM 0 HD2 PRO B 29 22.038 -11.217 -10.256 1.00 25.00 H new ATOM 0 HD3 PRO B 29 21.532 -9.550 -10.058 1.00 25.00 H new ATOM 784 N THR B 30 26.228 -10.117 -12.494 1.00 25.00 N ATOM 785 CA THR B 30 27.325 -10.984 -12.961 1.00 25.00 C ATOM 786 C THR B 30 28.588 -10.875 -12.102 1.00 25.00 C ATOM 787 O THR B 30 29.169 -9.830 -11.837 1.00 25.00 O ATOM 788 CB THR B 30 27.632 -10.745 -14.476 1.00 25.00 C ATOM 789 OG1 THR B 30 28.749 -11.478 -14.798 1.00 25.00 O ATOM 790 CG2 THR B 30 27.885 -9.223 -14.861 1.00 25.00 C ATOM 791 OXT THR B 30 29.020 -12.025 -11.709 1.00 25.00 O ATOM 0 H THR B 30 25.952 -9.391 -13.155 1.00 25.00 H new ATOM 0 HA THR B 30 26.975 -12.010 -12.846 1.00 25.00 H new ATOM 0 HB THR B 30 26.749 -11.053 -15.036 1.00 25.00 H new ATOM 0 HG1 THR B 30 28.964 -11.348 -15.745 1.00 25.00 H new ATOM 0 HG21 THR B 30 28.090 -9.147 -15.929 1.00 25.00 H new ATOM 0 HG22 THR B 30 27.000 -8.635 -14.619 1.00 25.00 H new ATOM 0 HG23 THR B 30 28.738 -8.843 -14.300 1.00 25.00 H new TER 800 THR B 30