USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 NoAdj-H: B 12 ABA HN2 : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD NoAdj-H: B 12 ABA H : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.00583 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.21 K(o=-0.2,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0948 K(o=-0.095,f=-2.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 29:sc= 0.28 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 156:sc= 0.0101 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.27 K(o=-2.3,f=-5.6!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 5 HIS : no HD1:sc= -0.61 K(o=-0.61,f=-1.6) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0857 USER MOD Single : B 16 TYR OH : rot 58:sc= 0.292 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.945 7.033 -1.274 1.00 0.00 N ATOM 2 CA GLY A 1 -6.976 6.576 -0.185 1.00 0.00 C ATOM 3 C GLY A 1 -5.514 6.520 -0.478 1.00 0.00 C ATOM 4 O GLY A 1 -4.839 7.531 -0.506 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.917 7.013 -0.905 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.706 8.002 -1.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.873 6.396 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.112 7.236 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.284 5.579 0.129 1.00 0.00 H new ATOM 10 N ILE A 2 -4.987 5.348 -0.704 1.00 0.00 N ATOM 11 CA ILE A 2 -3.520 5.245 -1.004 1.00 0.00 C ATOM 12 C ILE A 2 -3.213 6.029 -2.278 1.00 0.00 C ATOM 13 O ILE A 2 -2.079 6.370 -2.552 1.00 0.00 O ATOM 14 CB ILE A 2 -3.081 3.784 -1.201 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.553 3.725 -1.203 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.597 3.255 -2.543 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.094 2.479 -0.450 1.00 0.00 C ATOM 0 H ILE A 2 -5.496 4.464 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.973 5.655 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.487 3.174 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.180 3.703 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.143 4.619 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.280 2.220 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.686 3.306 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.193 3.862 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.005 2.434 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.456 2.521 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.493 1.591 -0.939 1.00 0.00 H new ATOM 29 N VAL A 3 -4.216 6.322 -3.059 1.00 0.00 N ATOM 30 CA VAL A 3 -3.987 7.091 -4.315 1.00 0.00 C ATOM 31 C VAL A 3 -3.642 8.537 -3.976 1.00 0.00 C ATOM 32 O VAL A 3 -3.349 9.335 -4.842 1.00 0.00 O ATOM 33 CB VAL A 3 -5.255 7.071 -5.162 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.886 7.274 -6.629 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.957 5.727 -4.992 1.00 0.00 C ATOM 0 H VAL A 3 -5.186 6.062 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.165 6.637 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.923 7.871 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.791 7.260 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.383 8.234 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.220 6.473 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.864 5.711 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.292 4.926 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.218 5.583 -3.944 1.00 0.00 H new ATOM 45 N GLU A 4 -3.685 8.885 -2.724 1.00 0.00 N ATOM 46 CA GLU A 4 -3.364 10.283 -2.329 1.00 0.00 C ATOM 47 C GLU A 4 -1.994 10.329 -1.648 1.00 0.00 C ATOM 48 O GLU A 4 -1.360 11.365 -1.579 1.00 0.00 O ATOM 49 CB GLU A 4 -4.430 10.802 -1.363 1.00 0.00 C ATOM 50 CG GLU A 4 -4.092 12.235 -0.946 1.00 0.00 C ATOM 51 CD GLU A 4 -4.174 13.157 -2.166 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.738 12.738 -3.164 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.671 14.264 -2.081 1.00 0.00 O ATOM 0 H GLU A 4 -3.929 8.261 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.345 10.910 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.411 10.773 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.482 10.160 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.784 12.573 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.091 12.273 -0.515 1.00 0.00 H new ATOM 60 N GLN A 5 -1.535 9.221 -1.132 1.00 0.00 N ATOM 61 CA GLN A 5 -0.210 9.215 -0.447 1.00 0.00 C ATOM 62 C GLN A 5 0.856 8.634 -1.376 1.00 0.00 C ATOM 63 O GLN A 5 1.768 9.318 -1.786 1.00 0.00 O ATOM 64 CB GLN A 5 -0.299 8.368 0.824 1.00 0.00 C ATOM 65 CG GLN A 5 0.729 8.865 1.843 1.00 0.00 C ATOM 66 CD GLN A 5 0.163 10.074 2.590 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.918 10.540 2.288 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.854 10.607 3.561 1.00 0.00 N ATOM 0 H GLN A 5 -2.018 8.323 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 5 0.064 10.238 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.303 8.429 1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.116 7.320 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.972 8.070 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.656 9.137 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.761 10.217 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.486 11.414 4.065 1.00 0.00 H new ATOM 77 N CYS A 6 0.758 7.379 -1.709 1.00 0.00 N ATOM 78 CA CYS A 6 1.780 6.773 -2.610 1.00 0.00 C ATOM 79 C CYS A 6 1.811 7.538 -3.932 1.00 0.00 C ATOM 80 O CYS A 6 2.821 7.604 -4.596 1.00 0.00 O ATOM 81 CB CYS A 6 1.414 5.321 -2.898 1.00 0.00 C ATOM 82 SG CYS A 6 1.380 4.376 -1.364 1.00 0.00 S ATOM 0 H CYS A 6 0.019 6.748 -1.399 1.00 0.00 H new ATOM 0 HA CYS A 6 2.755 6.822 -2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.440 5.273 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.137 4.885 -3.587 1.00 0.00 H new ATOM 87 N CYS A 7 0.710 8.109 -4.324 1.00 0.00 N ATOM 88 CA CYS A 7 0.684 8.860 -5.607 1.00 0.00 C ATOM 89 C CYS A 7 1.338 10.228 -5.408 1.00 0.00 C ATOM 90 O CYS A 7 2.367 10.534 -5.979 1.00 0.00 O ATOM 91 CB CYS A 7 -0.764 9.078 -6.038 1.00 0.00 C ATOM 92 SG CYS A 7 -1.474 7.540 -6.656 1.00 0.00 S ATOM 0 H CYS A 7 -0.172 8.089 -3.813 1.00 0.00 H new ATOM 0 HA CYS A 7 1.222 8.292 -6.366 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.350 9.444 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.808 9.844 -6.813 1.00 0.00 H new ATOM 97 N THR A 8 0.726 11.057 -4.606 1.00 0.00 N ATOM 98 CA THR A 8 1.272 12.422 -4.359 1.00 0.00 C ATOM 99 C THR A 8 2.515 12.340 -3.463 1.00 0.00 C ATOM 100 O THR A 8 3.253 13.295 -3.328 1.00 0.00 O ATOM 101 CB THR A 8 0.185 13.271 -3.679 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.706 13.766 -4.670 1.00 0.00 O ATOM 103 CG2 THR A 8 0.817 14.452 -2.932 1.00 0.00 C ATOM 0 H THR A 8 -0.138 10.844 -4.107 1.00 0.00 H new ATOM 0 HA THR A 8 1.561 12.880 -5.305 1.00 0.00 H new ATOM 0 HB THR A 8 -0.355 12.650 -2.964 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.403 14.307 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.034 15.043 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.501 14.077 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.365 15.077 -3.637 1.00 0.00 H new ATOM 111 N SER A 9 2.754 11.217 -2.847 1.00 0.00 N ATOM 112 CA SER A 9 3.950 11.099 -1.964 1.00 0.00 C ATOM 113 C SER A 9 4.436 9.648 -1.935 1.00 0.00 C ATOM 114 O SER A 9 3.980 8.812 -2.688 1.00 0.00 O ATOM 115 CB SER A 9 3.588 11.540 -0.546 1.00 0.00 C ATOM 116 OG SER A 9 3.847 12.931 -0.406 1.00 0.00 O ATOM 0 H SER A 9 2.177 10.379 -2.915 1.00 0.00 H new ATOM 0 HA SER A 9 4.743 11.737 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.537 11.332 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.169 10.975 0.183 1.00 0.00 H new ATOM 0 HG SER A 9 3.743 13.372 -1.275 1.00 0.00 H new ATOM 122 N ILE A 10 5.369 9.350 -1.072 1.00 0.00 N ATOM 123 CA ILE A 10 5.903 7.960 -0.990 1.00 0.00 C ATOM 124 C ILE A 10 5.260 7.214 0.183 1.00 0.00 C ATOM 125 O ILE A 10 4.789 7.813 1.130 1.00 0.00 O ATOM 126 CB ILE A 10 7.416 8.014 -0.761 1.00 0.00 C ATOM 127 CG1 ILE A 10 8.104 8.589 -2.019 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.921 6.600 -0.446 1.00 0.00 C ATOM 129 CD1 ILE A 10 9.344 7.766 -2.395 1.00 0.00 C ATOM 0 H ILE A 10 5.786 10.012 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 10 5.676 7.440 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 10 7.653 8.664 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.401 8.594 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.392 9.625 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.998 6.627 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.426 6.228 0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.699 5.939 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.808 8.193 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.056 7.783 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.049 6.737 -2.599 1.00 0.00 H new ATOM 141 N CYS A 11 5.268 5.907 0.144 1.00 0.00 N ATOM 142 CA CYS A 11 4.690 5.124 1.275 1.00 0.00 C ATOM 143 C CYS A 11 5.681 4.037 1.683 1.00 0.00 C ATOM 144 O CYS A 11 6.495 3.598 0.895 1.00 0.00 O ATOM 145 CB CYS A 11 3.369 4.461 0.875 1.00 0.00 C ATOM 146 SG CYS A 11 3.330 4.150 -0.901 1.00 0.00 S ATOM 0 H CYS A 11 5.649 5.349 -0.620 1.00 0.00 H new ATOM 0 HA CYS A 11 4.499 5.807 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.247 3.523 1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.534 5.102 1.156 1.00 0.00 H new ATOM 151 N SER A 12 5.612 3.594 2.903 1.00 0.00 N ATOM 152 CA SER A 12 6.543 2.529 3.355 1.00 0.00 C ATOM 153 C SER A 12 5.849 1.176 3.220 1.00 0.00 C ATOM 154 O SER A 12 4.689 1.036 3.551 1.00 0.00 O ATOM 155 CB SER A 12 6.918 2.767 4.819 1.00 0.00 C ATOM 156 OG SER A 12 6.566 4.096 5.183 1.00 0.00 O ATOM 0 H SER A 12 4.951 3.923 3.607 1.00 0.00 H new ATOM 0 HA SER A 12 7.447 2.544 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.401 2.053 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.987 2.609 4.963 1.00 0.00 H new ATOM 0 HG SER A 12 6.803 4.252 6.121 1.00 0.00 H new ATOM 162 N LEU A 13 6.547 0.185 2.721 1.00 0.00 N ATOM 163 CA LEU A 13 5.926 -1.170 2.551 1.00 0.00 C ATOM 164 C LEU A 13 4.999 -1.451 3.734 1.00 0.00 C ATOM 165 O LEU A 13 4.018 -2.155 3.611 1.00 0.00 O ATOM 166 CB LEU A 13 6.967 -2.313 2.454 1.00 0.00 C ATOM 167 CG LEU A 13 8.405 -1.834 2.678 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.858 -0.982 1.493 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.486 -1.039 3.984 1.00 0.00 C ATOM 0 H LEU A 13 7.520 0.254 2.423 1.00 0.00 H new ATOM 0 HA LEU A 13 5.378 -1.149 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.726 -3.080 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.894 -2.781 1.472 1.00 0.00 H new ATOM 0 HG LEU A 13 9.069 -2.695 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.881 -0.644 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.815 -1.576 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.202 -0.117 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.510 -0.700 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.823 -0.176 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.183 -1.675 4.816 1.00 0.00 H new ATOM 181 N TYR A 14 5.290 -0.889 4.878 1.00 0.00 N ATOM 182 CA TYR A 14 4.417 -1.110 6.057 1.00 0.00 C ATOM 183 C TYR A 14 3.000 -0.682 5.709 1.00 0.00 C ATOM 184 O TYR A 14 2.039 -1.373 5.986 1.00 0.00 O ATOM 185 CB TYR A 14 4.937 -0.275 7.232 1.00 0.00 C ATOM 186 CG TYR A 14 3.908 -0.247 8.337 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.512 -1.439 8.957 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.354 0.974 8.748 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.562 -1.413 9.986 1.00 0.00 C ATOM 190 CE2 TYR A 14 2.405 1.000 9.779 1.00 0.00 C ATOM 191 CZ TYR A 14 2.009 -0.193 10.398 1.00 0.00 C ATOM 192 OH TYR A 14 1.076 -0.167 11.415 1.00 0.00 O ATOM 0 H TYR A 14 6.097 -0.287 5.042 1.00 0.00 H new ATOM 0 HA TYR A 14 4.421 -2.164 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.871 -0.696 7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.155 0.740 6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.940 -2.379 8.641 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.658 1.894 8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.256 -2.333 10.462 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.979 1.940 10.097 1.00 0.00 H new ATOM 0 HH TYR A 14 0.795 0.758 11.578 1.00 0.00 H new ATOM 202 N GLN A 15 2.865 0.455 5.101 1.00 0.00 N ATOM 203 CA GLN A 15 1.512 0.940 4.733 1.00 0.00 C ATOM 204 C GLN A 15 0.991 0.173 3.509 1.00 0.00 C ATOM 205 O GLN A 15 -0.202 -0.016 3.362 1.00 0.00 O ATOM 206 CB GLN A 15 1.564 2.446 4.444 1.00 0.00 C ATOM 207 CG GLN A 15 1.418 3.221 5.755 1.00 0.00 C ATOM 208 CD GLN A 15 2.571 4.217 5.893 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.233 4.536 4.926 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.842 4.724 7.065 1.00 0.00 N ATOM 0 H GLN A 15 3.634 1.072 4.841 1.00 0.00 H new ATOM 0 HA GLN A 15 0.829 0.765 5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.507 2.702 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.766 2.723 3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.464 3.748 5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.417 2.531 6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.286 4.456 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.609 5.388 7.168 1.00 0.00 H new ATOM 219 N LEU A 16 1.850 -0.300 2.632 1.00 0.00 N ATOM 220 CA LEU A 16 1.326 -1.058 1.462 1.00 0.00 C ATOM 221 C LEU A 16 1.103 -2.506 1.886 1.00 0.00 C ATOM 222 O LEU A 16 0.404 -3.259 1.232 1.00 0.00 O ATOM 223 CB LEU A 16 2.295 -0.973 0.275 1.00 0.00 C ATOM 224 CG LEU A 16 1.560 -0.802 -1.064 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.278 -2.176 -1.663 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.242 -0.044 -0.888 1.00 0.00 C ATOM 0 H LEU A 16 2.864 -0.195 2.678 1.00 0.00 H new ATOM 0 HA LEU A 16 0.381 -0.624 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.976 -0.135 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.904 -1.876 0.240 1.00 0.00 H new ATOM 0 HG LEU A 16 2.198 -0.221 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.757 -2.059 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.219 -2.701 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.657 -2.752 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.251 0.059 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.406 -0.595 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.443 0.945 -0.477 1.00 0.00 H new ATOM 238 N GLU A 17 1.636 -2.885 3.020 1.00 0.00 N ATOM 239 CA GLU A 17 1.405 -4.263 3.529 1.00 0.00 C ATOM 240 C GLU A 17 0.045 -4.290 4.215 1.00 0.00 C ATOM 241 O GLU A 17 -0.281 -5.205 4.945 1.00 0.00 O ATOM 242 CB GLU A 17 2.498 -4.636 4.534 1.00 0.00 C ATOM 243 CG GLU A 17 3.034 -6.034 4.219 1.00 0.00 C ATOM 244 CD GLU A 17 4.019 -6.458 5.311 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.913 -5.939 6.410 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.862 -7.292 5.030 1.00 0.00 O ATOM 0 H GLU A 17 2.221 -2.296 3.613 1.00 0.00 H new ATOM 0 HA GLU A 17 1.430 -4.978 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.308 -3.908 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.098 -4.609 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.211 -6.746 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.528 -6.036 3.247 1.00 0.00 H new ATOM 253 N ASN A 18 -0.759 -3.288 3.978 1.00 0.00 N ATOM 254 CA ASN A 18 -2.104 -3.254 4.606 1.00 0.00 C ATOM 255 C ASN A 18 -3.172 -3.297 3.513 1.00 0.00 C ATOM 256 O ASN A 18 -4.332 -3.032 3.757 1.00 0.00 O ATOM 257 CB ASN A 18 -2.257 -1.966 5.418 1.00 0.00 C ATOM 258 CG ASN A 18 -2.943 -2.283 6.748 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.042 -2.800 6.768 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.337 -1.997 7.867 1.00 0.00 N ATOM 0 H ASN A 18 -0.539 -2.494 3.377 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.221 -4.113 5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.280 -1.518 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.843 -1.237 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.786 -2.208 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.414 -1.563 7.851 1.00 0.00 H new ATOM 267 N TYR A 19 -2.794 -3.625 2.304 1.00 0.00 N ATOM 268 CA TYR A 19 -3.803 -3.675 1.208 1.00 0.00 C ATOM 269 C TYR A 19 -3.852 -5.073 0.591 1.00 0.00 C ATOM 270 O TYR A 19 -4.059 -5.224 -0.598 1.00 0.00 O ATOM 271 CB TYR A 19 -3.435 -2.662 0.126 1.00 0.00 C ATOM 272 CG TYR A 19 -3.781 -1.273 0.600 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.907 -0.586 1.453 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.976 -0.672 0.187 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.229 0.705 1.892 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.298 0.618 0.624 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.425 1.307 1.476 1.00 0.00 C ATOM 278 OH TYR A 19 -4.743 2.579 1.906 1.00 0.00 O ATOM 0 H TYR A 19 -1.839 -3.858 2.032 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.781 -3.435 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.371 -2.726 -0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.971 -2.887 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.986 -1.051 1.772 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.649 -1.204 -0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.557 1.236 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.219 1.082 0.304 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.605 2.847 1.524 1.00 0.00 H new ATOM 288 N CYS A 20 -3.674 -6.098 1.377 1.00 0.00 N ATOM 289 CA CYS A 20 -3.725 -7.475 0.811 1.00 0.00 C ATOM 290 C CYS A 20 -5.047 -8.130 1.217 1.00 0.00 C ATOM 291 O CYS A 20 -5.603 -7.832 2.256 1.00 0.00 O ATOM 292 CB CYS A 20 -2.561 -8.324 1.342 1.00 0.00 C ATOM 293 SG CYS A 20 -1.184 -7.266 1.861 1.00 0.00 S ATOM 0 H CYS A 20 -3.497 -6.043 2.380 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.647 -7.413 -0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.899 -8.929 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.225 -9.014 0.568 1.00 0.00 H new ATOM 298 N ASN A 21 -5.553 -9.022 0.411 1.00 0.00 N ATOM 299 CA ASN A 21 -6.838 -9.692 0.760 1.00 0.00 C ATOM 300 C ASN A 21 -6.714 -10.338 2.141 1.00 0.00 C ATOM 301 O ASN A 21 -7.341 -9.844 3.063 1.00 0.00 O ATOM 302 CB ASN A 21 -7.156 -10.767 -0.280 1.00 0.00 C ATOM 303 CG ASN A 21 -8.673 -10.900 -0.425 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.262 -11.842 0.069 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.335 -9.991 -1.086 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.991 -11.315 2.252 1.00 0.00 O ATOM 0 H ASN A 21 -5.134 -9.316 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.640 -8.954 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.710 -10.504 -1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.723 -11.721 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.347 -10.070 -1.188 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.841 -9.201 -1.500 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.679 -3.299 -0.792 1.00 0.00 N ATOM 315 CA PHE B 1 11.712 -2.876 0.262 1.00 0.00 C ATOM 316 C PHE B 1 11.938 -1.397 0.594 1.00 0.00 C ATOM 317 O PHE B 1 12.037 -1.016 1.743 1.00 0.00 O ATOM 318 CB PHE B 1 11.926 -3.726 1.519 1.00 0.00 C ATOM 319 CG PHE B 1 11.283 -5.081 1.334 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.886 -5.204 1.356 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.081 -6.219 1.142 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.289 -6.460 1.187 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.482 -7.475 0.973 1.00 0.00 C ATOM 324 CZ PHE B 1 10.087 -7.595 0.996 1.00 0.00 C ATOM 0 H1 PHE B 1 12.823 -4.328 -0.739 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.302 -3.050 -1.729 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.587 -2.815 -0.644 1.00 0.00 H new ATOM 0 HA PHE B 1 10.692 -3.014 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.992 -3.842 1.714 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.496 -3.224 2.386 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.270 -4.329 1.503 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.157 -6.127 1.124 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.213 -6.553 1.204 1.00 0.00 H new ATOM 0 HE2 PHE B 1 12.097 -8.351 0.825 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.626 -8.563 0.866 1.00 0.00 H new ATOM 336 N VAL B 2 12.023 -0.564 -0.409 1.00 0.00 N ATOM 337 CA VAL B 2 12.244 0.890 -0.162 1.00 0.00 C ATOM 338 C VAL B 2 10.908 1.637 -0.300 1.00 0.00 C ATOM 339 O VAL B 2 10.179 1.449 -1.254 1.00 0.00 O ATOM 340 CB VAL B 2 13.292 1.415 -1.171 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.759 2.612 -1.973 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.545 1.849 -0.409 1.00 0.00 C ATOM 0 H VAL B 2 11.949 -0.829 -1.391 1.00 0.00 H new ATOM 0 HA VAL B 2 12.622 1.056 0.847 1.00 0.00 H new ATOM 0 HB VAL B 2 13.520 0.610 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.524 2.952 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.870 2.312 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.504 3.423 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.289 2.221 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.287 2.639 0.296 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.954 0.997 0.134 1.00 0.00 H new ATOM 352 N ASN B 3 10.590 2.488 0.636 1.00 0.00 N ATOM 353 CA ASN B 3 9.312 3.249 0.546 1.00 0.00 C ATOM 354 C ASN B 3 9.171 3.825 -0.865 1.00 0.00 C ATOM 355 O ASN B 3 9.691 4.879 -1.171 1.00 0.00 O ATOM 356 CB ASN B 3 9.331 4.385 1.569 1.00 0.00 C ATOM 357 CG ASN B 3 10.693 5.080 1.533 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.924 5.946 0.714 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.613 4.731 2.391 1.00 0.00 N ATOM 0 H ASN B 3 11.159 2.689 1.458 1.00 0.00 H new ATOM 0 HA ASN B 3 8.469 2.590 0.754 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.539 5.101 1.348 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.137 3.993 2.567 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.526 5.186 2.373 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.419 4.003 3.079 1.00 0.00 H new ATOM 366 N GLN B 4 8.485 3.131 -1.732 1.00 0.00 N ATOM 367 CA GLN B 4 8.326 3.629 -3.128 1.00 0.00 C ATOM 368 C GLN B 4 6.950 4.277 -3.317 1.00 0.00 C ATOM 369 O GLN B 4 6.018 4.028 -2.575 1.00 0.00 O ATOM 370 CB GLN B 4 8.472 2.456 -4.102 1.00 0.00 C ATOM 371 CG GLN B 4 9.376 2.866 -5.268 1.00 0.00 C ATOM 372 CD GLN B 4 9.119 1.949 -6.467 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.753 0.803 -6.303 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.298 2.411 -7.675 1.00 0.00 N ATOM 0 H GLN B 4 8.028 2.241 -1.534 1.00 0.00 H new ATOM 0 HA GLN B 4 9.094 4.377 -3.324 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.894 1.593 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.493 2.156 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.183 3.903 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.422 2.805 -4.969 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.605 3.374 -7.812 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.130 1.809 -8.481 1.00 0.00 H new ATOM 383 N HIS B 5 6.827 5.105 -4.320 1.00 0.00 N ATOM 384 CA HIS B 5 5.526 5.777 -4.600 1.00 0.00 C ATOM 385 C HIS B 5 4.905 5.149 -5.853 1.00 0.00 C ATOM 386 O HIS B 5 5.592 4.891 -6.821 1.00 0.00 O ATOM 387 CB HIS B 5 5.773 7.273 -4.827 1.00 0.00 C ATOM 388 CG HIS B 5 6.369 7.498 -6.191 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.573 7.692 -7.299 1.00 0.00 N ATOM 390 CD2 HIS B 5 7.671 7.562 -6.604 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.400 7.868 -8.340 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.693 7.798 -7.963 1.00 0.00 N ATOM 0 H HIS B 5 7.581 5.346 -4.963 1.00 0.00 H new ATOM 0 HA HIS B 5 4.845 5.652 -3.758 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.836 7.822 -4.736 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.444 7.659 -4.060 1.00 0.00 H new ATOM 0 HD2 HIS B 5 8.538 7.447 -5.971 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.072 8.044 -9.354 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.515 7.899 -8.558 1.00 0.00 H new ATOM 400 N LEU B 6 3.622 4.892 -5.853 1.00 0.00 N ATOM 401 CA LEU B 6 3.009 4.271 -7.061 1.00 0.00 C ATOM 402 C LEU B 6 1.562 4.738 -7.268 1.00 0.00 C ATOM 403 O LEU B 6 0.754 4.722 -6.361 1.00 0.00 O ATOM 404 CB LEU B 6 3.018 2.754 -6.915 1.00 0.00 C ATOM 405 CG LEU B 6 4.395 2.291 -6.497 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.523 2.504 -5.010 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.551 0.806 -6.814 1.00 0.00 C ATOM 0 H LEU B 6 2.983 5.082 -5.081 1.00 0.00 H new ATOM 0 HA LEU B 6 3.598 4.578 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.280 2.446 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.737 2.286 -7.859 1.00 0.00 H new ATOM 0 HG LEU B 6 5.164 2.849 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.509 2.178 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.395 3.562 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.757 1.926 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.544 0.472 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.796 0.237 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.424 0.647 -7.885 1.00 0.00 H new ATOM 419 N CYS B 7 1.226 5.122 -8.477 1.00 0.00 N ATOM 420 CA CYS B 7 -0.168 5.553 -8.776 1.00 0.00 C ATOM 421 C CYS B 7 -0.763 4.623 -9.846 1.00 0.00 C ATOM 422 O CYS B 7 -0.054 3.877 -10.491 1.00 0.00 O ATOM 423 CB CYS B 7 -0.164 6.987 -9.304 1.00 0.00 C ATOM 424 SG CYS B 7 -1.607 7.851 -8.645 1.00 0.00 S ATOM 0 H CYS B 7 1.865 5.154 -9.271 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.765 5.505 -7.865 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.751 7.497 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.188 6.988 -10.394 1.00 0.00 H new ATOM 429 N GLY B 8 -2.055 4.665 -10.045 1.00 0.00 N ATOM 430 CA GLY B 8 -2.689 3.786 -11.078 1.00 0.00 C ATOM 431 C GLY B 8 -2.102 2.371 -10.998 1.00 0.00 C ATOM 432 O GLY B 8 -1.866 1.852 -9.928 1.00 0.00 O ATOM 0 H GLY B 8 -2.701 5.270 -9.537 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.767 3.750 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.523 4.201 -12.072 1.00 0.00 H new ATOM 436 N SER B 9 -1.863 1.746 -12.128 1.00 0.00 N ATOM 437 CA SER B 9 -1.283 0.367 -12.116 1.00 0.00 C ATOM 438 C SER B 9 -0.177 0.309 -11.065 1.00 0.00 C ATOM 439 O SER B 9 -0.098 -0.615 -10.281 1.00 0.00 O ATOM 440 CB SER B 9 -0.700 0.047 -13.494 1.00 0.00 C ATOM 441 OG SER B 9 0.284 1.019 -13.825 1.00 0.00 O ATOM 0 H SER B 9 -2.045 2.131 -13.055 1.00 0.00 H new ATOM 0 HA SER B 9 -2.058 -0.362 -11.878 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.258 -0.949 -13.492 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.491 0.043 -14.244 1.00 0.00 H new ATOM 0 HG SER B 9 0.661 0.816 -14.707 1.00 0.00 H new ATOM 447 N ASP B 10 0.660 1.307 -11.027 1.00 0.00 N ATOM 448 CA ASP B 10 1.742 1.334 -10.008 1.00 0.00 C ATOM 449 C ASP B 10 1.137 0.943 -8.653 1.00 0.00 C ATOM 450 O ASP B 10 1.755 0.246 -7.872 1.00 0.00 O ATOM 451 CB ASP B 10 2.345 2.739 -9.972 1.00 0.00 C ATOM 452 CG ASP B 10 3.871 2.634 -9.905 1.00 0.00 C ATOM 453 OD1 ASP B 10 4.386 1.566 -10.192 1.00 0.00 O ATOM 454 OD2 ASP B 10 4.499 3.624 -9.567 1.00 0.00 O ATOM 0 H ASP B 10 0.640 2.107 -11.660 1.00 0.00 H new ATOM 0 HA ASP B 10 2.537 0.629 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP B 10 2.046 3.298 -10.859 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.969 3.287 -9.108 1.00 0.00 H new ATOM 459 N LEU B 11 -0.082 1.337 -8.384 1.00 0.00 N ATOM 460 CA LEU B 11 -0.722 0.925 -7.102 1.00 0.00 C ATOM 461 C LEU B 11 -0.922 -0.581 -7.190 1.00 0.00 C ATOM 462 O LEU B 11 -0.596 -1.335 -6.295 1.00 0.00 O ATOM 463 CB LEU B 11 -2.113 1.574 -6.982 1.00 0.00 C ATOM 464 CG LEU B 11 -2.292 2.386 -5.687 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.325 1.938 -4.585 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.079 3.860 -6.017 1.00 0.00 C ATOM 0 H LEU B 11 -0.656 1.921 -8.992 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.108 1.221 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.277 2.227 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.875 0.796 -7.024 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.298 2.220 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.489 2.539 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.500 0.887 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.298 2.068 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.201 4.457 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.074 4.003 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.810 4.176 -6.761 1.00 0.00 H new HETATM 478 N ABA B 12 -1.456 -1.007 -8.302 1.00 0.00 N HETATM 479 CA ABA B 12 -1.699 -2.455 -8.540 1.00 0.00 C HETATM 480 C ABA B 12 -0.380 -3.212 -8.401 1.00 0.00 C HETATM 481 O ABA B 12 -0.359 -4.422 -8.299 1.00 0.00 O HETATM 482 CB ABA B 12 -2.241 -2.646 -9.965 1.00 0.00 C HETATM 483 CG ABA B 12 -3.128 -3.886 -10.030 1.00 0.00 C HETATM 0 HG3 ABA B 12 -3.966 -3.770 -9.343 1.00 0.00 H new HETATM 0 HG2 ABA B 12 -2.547 -4.764 -9.749 1.00 0.00 H new HETATM 0 HG1 ABA B 12 -3.506 -4.010 -11.045 1.00 0.00 H new HETATM 0 HB3 ABA B 12 -1.413 -2.745 -10.667 1.00 0.00 H new HETATM 0 HB2 ABA B 12 -2.810 -1.767 -10.266 1.00 0.00 H new HETATM 0 HA ABA B 12 -2.421 -2.833 -7.816 1.00 0.00 H new ATOM 491 N GLU B 13 0.726 -2.514 -8.415 1.00 0.00 N ATOM 492 CA GLU B 13 2.039 -3.203 -8.306 1.00 0.00 C ATOM 493 C GLU B 13 2.512 -3.261 -6.856 1.00 0.00 C ATOM 494 O GLU B 13 2.780 -4.321 -6.350 1.00 0.00 O ATOM 495 CB GLU B 13 3.084 -2.466 -9.131 1.00 0.00 C ATOM 496 CG GLU B 13 3.408 -3.274 -10.389 1.00 0.00 C ATOM 497 CD GLU B 13 2.113 -3.593 -11.139 1.00 0.00 C ATOM 498 OE1 GLU B 13 1.484 -4.583 -10.803 1.00 0.00 O ATOM 499 OE2 GLU B 13 1.772 -2.842 -12.039 1.00 0.00 O ATOM 0 H GLU B 13 0.773 -1.498 -8.497 1.00 0.00 H new ATOM 0 HA GLU B 13 1.912 -4.219 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.714 -1.478 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.988 -2.315 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.084 -2.710 -11.032 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.921 -4.197 -10.119 1.00 0.00 H new ATOM 506 N ALA B 14 2.626 -2.145 -6.177 1.00 0.00 N ATOM 507 CA ALA B 14 3.093 -2.198 -4.756 1.00 0.00 C ATOM 508 C ALA B 14 2.352 -3.338 -4.076 1.00 0.00 C ATOM 509 O ALA B 14 2.924 -4.183 -3.416 1.00 0.00 O ATOM 510 CB ALA B 14 2.770 -0.880 -4.049 1.00 0.00 C ATOM 0 H ALA B 14 2.420 -1.214 -6.538 1.00 0.00 H new ATOM 0 HA ALA B 14 4.171 -2.355 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.113 -0.928 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.273 -0.060 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.693 -0.712 -4.066 1.00 0.00 H new ATOM 516 N LEU B 15 1.076 -3.373 -4.285 1.00 0.00 N ATOM 517 CA LEU B 15 0.241 -4.463 -3.714 1.00 0.00 C ATOM 518 C LEU B 15 0.702 -5.788 -4.317 1.00 0.00 C ATOM 519 O LEU B 15 0.774 -6.802 -3.653 1.00 0.00 O ATOM 520 CB LEU B 15 -1.215 -4.246 -4.128 1.00 0.00 C ATOM 521 CG LEU B 15 -1.661 -2.795 -3.843 1.00 0.00 C ATOM 522 CD1 LEU B 15 -3.107 -2.624 -4.290 1.00 0.00 C ATOM 523 CD2 LEU B 15 -1.560 -2.438 -2.352 1.00 0.00 C ATOM 0 H LEU B 15 0.563 -2.684 -4.835 1.00 0.00 H new ATOM 0 HA LEU B 15 0.333 -4.470 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.331 -4.464 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.858 -4.941 -3.588 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.996 -2.130 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.430 -1.602 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.184 -2.829 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.742 -3.318 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.884 -1.408 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.197 -3.107 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.527 -2.545 -2.021 1.00 0.00 H new ATOM 535 N TYR B 16 0.995 -5.777 -5.590 1.00 0.00 N ATOM 536 CA TYR B 16 1.435 -7.021 -6.280 1.00 0.00 C ATOM 537 C TYR B 16 2.919 -7.279 -5.993 1.00 0.00 C ATOM 538 O TYR B 16 3.423 -8.362 -6.216 1.00 0.00 O ATOM 539 CB TYR B 16 1.229 -6.837 -7.786 1.00 0.00 C ATOM 540 CG TYR B 16 -0.052 -7.507 -8.239 1.00 0.00 C ATOM 541 CD1 TYR B 16 -1.037 -7.873 -7.309 1.00 0.00 C ATOM 542 CD2 TYR B 16 -0.251 -7.765 -9.603 1.00 0.00 C ATOM 543 CE1 TYR B 16 -2.214 -8.497 -7.744 1.00 0.00 C ATOM 544 CE2 TYR B 16 -1.429 -8.385 -10.038 1.00 0.00 C ATOM 545 CZ TYR B 16 -2.410 -8.754 -9.107 1.00 0.00 C ATOM 546 OH TYR B 16 -3.570 -9.368 -9.534 1.00 0.00 O ATOM 0 H TYR B 16 0.947 -4.950 -6.186 1.00 0.00 H new ATOM 0 HA TYR B 16 0.855 -7.871 -5.921 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.193 -5.774 -8.026 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.076 -7.258 -8.328 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.888 -7.674 -6.258 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.506 -7.485 -10.320 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.971 -8.780 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.582 -8.579 -11.089 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.344 -8.833 -9.259 1.00 0.00 H new ATOM 556 N LEU B 17 3.624 -6.295 -5.501 1.00 0.00 N ATOM 557 CA LEU B 17 5.068 -6.489 -5.204 1.00 0.00 C ATOM 558 C LEU B 17 5.257 -6.581 -3.696 1.00 0.00 C ATOM 559 O LEU B 17 6.276 -7.028 -3.209 1.00 0.00 O ATOM 560 CB LEU B 17 5.866 -5.308 -5.752 1.00 0.00 C ATOM 561 CG LEU B 17 6.390 -5.661 -7.143 1.00 0.00 C ATOM 562 CD1 LEU B 17 7.230 -6.938 -7.068 1.00 0.00 C ATOM 563 CD2 LEU B 17 5.208 -5.881 -8.091 1.00 0.00 C ATOM 0 H LEU B 17 3.259 -5.365 -5.293 1.00 0.00 H new ATOM 0 HA LEU B 17 5.421 -7.407 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.237 -4.420 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.696 -5.074 -5.086 1.00 0.00 H new ATOM 0 HG LEU B 17 7.009 -4.844 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.602 -7.187 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.072 -6.781 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.615 -7.757 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.580 -6.133 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU B 17 4.589 -6.697 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.612 -4.970 -8.147 1.00 0.00 H new ATOM 575 N VAL B 18 4.276 -6.154 -2.948 1.00 0.00 N ATOM 576 CA VAL B 18 4.392 -6.210 -1.472 1.00 0.00 C ATOM 577 C VAL B 18 3.586 -7.397 -0.938 1.00 0.00 C ATOM 578 O VAL B 18 4.121 -8.305 -0.334 1.00 0.00 O ATOM 579 CB VAL B 18 3.826 -4.929 -0.869 1.00 0.00 C ATOM 580 CG1 VAL B 18 3.857 -5.052 0.648 1.00 0.00 C ATOM 581 CG2 VAL B 18 4.666 -3.721 -1.278 1.00 0.00 C ATOM 0 H VAL B 18 3.400 -5.769 -3.301 1.00 0.00 H new ATOM 0 HA VAL B 18 5.442 -6.320 -1.201 1.00 0.00 H new ATOM 0 HB VAL B 18 2.807 -4.788 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.455 -4.143 1.095 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.253 -5.906 0.956 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.885 -5.196 0.980 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.244 -2.818 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.689 -3.853 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.665 -3.628 -2.364 1.00 0.00 H new ATOM 591 N CYS B 19 2.296 -7.388 -1.150 1.00 0.00 N ATOM 592 CA CYS B 19 1.443 -8.504 -0.652 1.00 0.00 C ATOM 593 C CYS B 19 1.727 -9.762 -1.473 1.00 0.00 C ATOM 594 O CYS B 19 2.078 -10.798 -0.945 1.00 0.00 O ATOM 595 CB CYS B 19 -0.032 -8.124 -0.808 1.00 0.00 C ATOM 596 SG CYS B 19 -0.372 -6.614 0.130 1.00 0.00 S ATOM 0 H CYS B 19 1.796 -6.652 -1.649 1.00 0.00 H new ATOM 0 HA CYS B 19 1.665 -8.692 0.399 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.269 -7.971 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.667 -8.936 -0.453 1.00 0.00 H new ATOM 601 N GLY B 20 1.577 -9.673 -2.764 1.00 0.00 N ATOM 602 CA GLY B 20 1.836 -10.857 -3.630 1.00 0.00 C ATOM 603 C GLY B 20 0.511 -11.483 -4.064 1.00 0.00 C ATOM 604 O GLY B 20 -0.522 -10.841 -4.074 1.00 0.00 O ATOM 0 H GLY B 20 1.286 -8.830 -3.259 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.412 -10.559 -4.506 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.435 -11.590 -3.089 1.00 0.00 H new ATOM 608 N GLU B 21 0.531 -12.739 -4.415 1.00 0.00 N ATOM 609 CA GLU B 21 -0.733 -13.408 -4.844 1.00 0.00 C ATOM 610 C GLU B 21 -1.696 -13.465 -3.659 1.00 0.00 C ATOM 611 O GLU B 21 -2.854 -13.800 -3.807 1.00 0.00 O ATOM 612 CB GLU B 21 -0.461 -14.837 -5.346 1.00 0.00 C ATOM 613 CG GLU B 21 1.005 -14.997 -5.763 1.00 0.00 C ATOM 614 CD GLU B 21 1.413 -13.832 -6.669 1.00 0.00 C ATOM 615 OE1 GLU B 21 0.784 -13.660 -7.699 1.00 0.00 O ATOM 616 OE2 GLU B 21 2.348 -13.133 -6.315 1.00 0.00 O ATOM 0 H GLU B 21 1.362 -13.330 -4.424 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.169 -12.833 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.701 -15.555 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.111 -15.060 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.643 -15.025 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.143 -15.943 -6.286 1.00 0.00 H new ATOM 623 N ARG B 22 -1.229 -13.139 -2.484 1.00 0.00 N ATOM 624 CA ARG B 22 -2.125 -13.173 -1.298 1.00 0.00 C ATOM 625 C ARG B 22 -3.445 -12.497 -1.652 1.00 0.00 C ATOM 626 O ARG B 22 -4.483 -12.814 -1.107 1.00 0.00 O ATOM 627 CB ARG B 22 -1.465 -12.437 -0.131 1.00 0.00 C ATOM 628 CG ARG B 22 -0.695 -13.439 0.731 1.00 0.00 C ATOM 629 CD ARG B 22 0.239 -12.686 1.680 1.00 0.00 C ATOM 630 NE ARG B 22 -0.301 -12.755 3.066 1.00 0.00 N ATOM 631 CZ ARG B 22 0.240 -13.562 3.938 1.00 0.00 C ATOM 632 NH1 ARG B 22 -0.048 -14.835 3.916 1.00 0.00 N ATOM 633 NH2 ARG B 22 1.069 -13.096 4.832 1.00 0.00 N ATOM 0 H ARG B 22 -0.268 -12.852 -2.297 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.309 -14.207 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.789 -11.669 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.221 -11.931 0.468 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.391 -14.054 1.301 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.120 -14.113 0.097 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.238 -13.121 1.645 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.333 -11.646 1.366 1.00 0.00 H new ATOM 0 HE ARG B 22 -1.094 -12.172 3.334 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.696 -15.199 3.217 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.375 -15.465 4.597 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.294 -12.101 4.849 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.492 -13.727 5.513 1.00 0.00 H new ATOM 647 N GLY B 23 -3.416 -11.576 -2.572 1.00 0.00 N ATOM 648 CA GLY B 23 -4.680 -10.892 -2.970 1.00 0.00 C ATOM 649 C GLY B 23 -4.588 -9.384 -2.685 1.00 0.00 C ATOM 650 O GLY B 23 -3.768 -8.939 -1.907 1.00 0.00 O ATOM 0 H GLY B 23 -2.578 -11.267 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.871 -11.057 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.520 -11.321 -2.424 1.00 0.00 H new ATOM 654 N PHE B 24 -5.453 -8.602 -3.284 1.00 0.00 N ATOM 655 CA PHE B 24 -5.454 -7.131 -3.026 1.00 0.00 C ATOM 656 C PHE B 24 -6.739 -6.550 -3.623 1.00 0.00 C ATOM 657 O PHE B 24 -7.302 -7.100 -4.550 1.00 0.00 O ATOM 658 CB PHE B 24 -4.233 -6.437 -3.649 1.00 0.00 C ATOM 659 CG PHE B 24 -4.249 -6.472 -5.174 1.00 0.00 C ATOM 660 CD1 PHE B 24 -4.889 -7.501 -5.884 1.00 0.00 C ATOM 661 CD2 PHE B 24 -3.608 -5.443 -5.884 1.00 0.00 C ATOM 662 CE1 PHE B 24 -4.886 -7.496 -7.285 1.00 0.00 C ATOM 663 CE2 PHE B 24 -3.608 -5.441 -7.280 1.00 0.00 C ATOM 664 CZ PHE B 24 -4.244 -6.463 -7.980 1.00 0.00 C ATOM 0 H PHE B 24 -6.162 -8.923 -3.944 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.405 -6.960 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.200 -5.400 -3.314 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.324 -6.918 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.384 -8.298 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.112 -4.648 -5.346 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.379 -8.288 -7.829 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.114 -4.645 -7.818 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.242 -6.459 -9.060 1.00 0.00 H new ATOM 674 N PHE B 25 -7.228 -5.461 -3.094 1.00 0.00 N ATOM 675 CA PHE B 25 -8.497 -4.882 -3.637 1.00 0.00 C ATOM 676 C PHE B 25 -8.200 -3.697 -4.565 1.00 0.00 C ATOM 677 O PHE B 25 -8.042 -3.879 -5.750 1.00 0.00 O ATOM 678 CB PHE B 25 -9.424 -4.436 -2.490 1.00 0.00 C ATOM 679 CG PHE B 25 -8.722 -4.567 -1.157 1.00 0.00 C ATOM 680 CD1 PHE B 25 -7.779 -3.609 -0.759 1.00 0.00 C ATOM 681 CD2 PHE B 25 -9.011 -5.654 -0.321 1.00 0.00 C ATOM 682 CE1 PHE B 25 -7.128 -3.739 0.474 1.00 0.00 C ATOM 683 CE2 PHE B 25 -8.359 -5.782 0.913 1.00 0.00 C ATOM 684 CZ PHE B 25 -7.418 -4.825 1.310 1.00 0.00 C ATOM 0 H PHE B 25 -6.811 -4.949 -2.317 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.002 -5.657 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.732 -3.402 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.330 -5.042 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.555 -2.771 -1.403 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.736 -6.393 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.401 -3.001 0.781 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.583 -6.619 1.558 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.915 -4.924 2.261 1.00 0.00 H new ATOM 694 N TYR B 26 -8.150 -2.502 -4.015 1.00 0.00 N ATOM 695 CA TYR B 26 -7.893 -1.242 -4.806 1.00 0.00 C ATOM 696 C TYR B 26 -9.209 -0.489 -4.985 1.00 0.00 C ATOM 697 O TYR B 26 -9.880 -0.626 -5.989 1.00 0.00 O ATOM 698 CB TYR B 26 -7.301 -1.527 -6.192 1.00 0.00 C ATOM 699 CG TYR B 26 -7.255 -0.249 -6.996 1.00 0.00 C ATOM 700 CD1 TYR B 26 -6.375 0.777 -6.636 1.00 0.00 C ATOM 701 CD2 TYR B 26 -8.094 -0.096 -8.109 1.00 0.00 C ATOM 702 CE1 TYR B 26 -6.333 1.960 -7.389 1.00 0.00 C ATOM 703 CE2 TYR B 26 -8.051 1.085 -8.863 1.00 0.00 C ATOM 704 CZ TYR B 26 -7.170 2.113 -8.502 1.00 0.00 C ATOM 705 OH TYR B 26 -7.124 3.276 -9.245 1.00 0.00 O ATOM 0 H TYR B 26 -8.281 -2.340 -3.016 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.167 -0.650 -4.248 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.298 -1.942 -6.092 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.904 -2.273 -6.710 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.728 0.659 -5.779 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.774 -0.888 -8.386 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.655 2.753 -7.110 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.696 1.202 -9.721 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.767 3.219 -9.982 1.00 0.00 H new ATOM 715 N THR B 27 -9.584 0.311 -4.027 1.00 0.00 N ATOM 716 CA THR B 27 -10.854 1.073 -4.158 1.00 0.00 C ATOM 717 C THR B 27 -10.761 1.975 -5.388 1.00 0.00 C ATOM 718 O THR B 27 -9.769 1.980 -6.090 1.00 0.00 O ATOM 719 CB THR B 27 -11.074 1.926 -2.906 1.00 0.00 C ATOM 720 OG1 THR B 27 -10.052 2.910 -2.818 1.00 0.00 O ATOM 721 CG2 THR B 27 -11.036 1.034 -1.665 1.00 0.00 C ATOM 0 H THR B 27 -9.067 0.469 -3.162 1.00 0.00 H new ATOM 0 HA THR B 27 -11.691 0.384 -4.268 1.00 0.00 H new ATOM 0 HB THR B 27 -12.045 2.417 -2.967 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.193 3.458 -2.018 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.193 1.643 -0.774 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.822 0.282 -1.733 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.066 0.541 -1.601 1.00 0.00 H new ATOM 729 N LYS B 28 -11.783 2.738 -5.660 1.00 0.00 N ATOM 730 CA LYS B 28 -11.739 3.631 -6.851 1.00 0.00 C ATOM 731 C LYS B 28 -11.464 5.071 -6.400 1.00 0.00 C ATOM 732 O LYS B 28 -12.133 5.577 -5.520 1.00 0.00 O ATOM 733 CB LYS B 28 -13.084 3.572 -7.578 1.00 0.00 C ATOM 734 CG LYS B 28 -12.949 2.711 -8.835 1.00 0.00 C ATOM 735 CD LYS B 28 -14.331 2.212 -9.259 1.00 0.00 C ATOM 736 CE LYS B 28 -14.178 1.104 -10.302 1.00 0.00 C ATOM 737 NZ LYS B 28 -15.394 1.062 -11.161 1.00 0.00 N ATOM 0 H LYS B 28 -12.642 2.782 -5.112 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.946 3.304 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.847 3.156 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.408 4.577 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.497 3.291 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.289 1.866 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.875 1.837 -8.392 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.915 3.035 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.294 1.284 -10.913 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.034 0.143 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.292 0.309 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.229 0.871 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.512 1.977 -11.641 1.00 0.00 H new ATOM 751 N PRO B 29 -10.488 5.693 -7.015 1.00 0.00 N ATOM 752 CA PRO B 29 -10.108 7.080 -6.694 1.00 0.00 C ATOM 753 C PRO B 29 -11.093 8.061 -7.331 1.00 0.00 C ATOM 754 O PRO B 29 -11.677 7.787 -8.361 1.00 0.00 O ATOM 755 CB PRO B 29 -8.716 7.226 -7.312 1.00 0.00 C ATOM 756 CG PRO B 29 -8.615 6.148 -8.416 1.00 0.00 C ATOM 757 CD PRO B 29 -9.675 5.079 -8.087 1.00 0.00 C ATOM 0 HA PRO B 29 -10.116 7.290 -5.625 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -8.579 8.224 -7.729 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -7.940 7.086 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.795 6.583 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -7.617 5.710 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.282 4.839 -8.960 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.213 4.149 -7.754 1.00 0.00 H new ATOM 765 N THR B 30 -11.286 9.202 -6.728 1.00 0.00 N ATOM 766 CA THR B 30 -12.234 10.197 -7.302 1.00 0.00 C ATOM 767 C THR B 30 -11.522 11.014 -8.383 1.00 0.00 C ATOM 768 O THR B 30 -10.798 11.928 -8.025 1.00 0.00 O ATOM 769 CB THR B 30 -12.725 11.133 -6.195 1.00 0.00 C ATOM 770 OG1 THR B 30 -12.083 10.795 -4.973 1.00 0.00 O ATOM 771 CG2 THR B 30 -14.239 10.988 -6.037 1.00 0.00 C ATOM 772 OXT THR B 30 -11.714 10.710 -9.548 1.00 0.00 O ATOM 0 H THR B 30 -10.828 9.488 -5.863 1.00 0.00 H new ATOM 0 HA THR B 30 -13.085 9.677 -7.741 1.00 0.00 H new ATOM 0 HB THR B 30 -12.487 12.164 -6.457 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.395 11.394 -4.263 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.588 11.655 -5.249 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.729 11.248 -6.975 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.480 9.958 -5.774 1.00 0.00 H new TER 780 THR B 30