USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 375 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 14 TYR OH : rot 180:sc= 0.226 USER MOD Set 1.2: B 29 LYS NZ :NH3+ -107:sc= 0.233 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0975 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.64 K(o=-0.54,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.108 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.319 K(o=-0.32,f=-4.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.335 USER MOD Single : A 18 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.14) USER MOD Single : A 19 TYR OH : rot 110:sc= -0.108 USER MOD Single : A 21 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.51) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -4.41 K(o=-4.4,f=-1.8) USER MOD Single : B 4 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.18) USER MOD Single : B 5 HIS : no HE2:sc= 0.00717 K(o=0.0072,f=-1.8) USER MOD Single : B 9 SER OG : rot -97:sc= 0.247 USER MOD Single : B 10 HIS : no HD1:sc= -0.469 K(o=-0.47,f=-2!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc=-0.00114 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.909 12.399 -4.851 1.00 0.00 N ATOM 2 CA GLY A 1 1.087 11.516 -6.039 1.00 0.00 C ATOM 3 C GLY A 1 -0.069 10.519 -6.160 1.00 0.00 C ATOM 4 O GLY A 1 -1.015 10.580 -5.401 1.00 0.00 O ATOM 0 H1 GLY A 1 0.857 13.391 -5.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.030 12.144 -4.357 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.716 12.279 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.144 12.123 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.030 10.976 -5.957 1.00 0.00 H new ATOM 10 N ILE A 2 0.070 9.635 -7.122 1.00 0.00 N ATOM 11 CA ILE A 2 -0.936 8.555 -7.433 1.00 0.00 C ATOM 12 C ILE A 2 -1.898 8.201 -6.285 1.00 0.00 C ATOM 13 O ILE A 2 -3.098 8.144 -6.483 1.00 0.00 O ATOM 14 CB ILE A 2 -0.171 7.259 -7.883 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.752 6.601 -6.801 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.640 7.547 -9.167 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.855 7.512 -6.228 1.00 0.00 C ATOM 0 H ILE A 2 0.883 9.616 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.566 8.959 -8.226 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.952 6.521 -8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.127 6.254 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.223 5.720 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.168 6.644 -9.474 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.037 7.860 -9.962 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.361 8.341 -8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.435 6.960 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.512 7.840 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.399 8.382 -5.755 1.00 0.00 H new ATOM 29 N VAL A 3 -1.303 7.975 -5.138 1.00 0.00 N ATOM 30 CA VAL A 3 -1.994 7.616 -3.855 1.00 0.00 C ATOM 31 C VAL A 3 -3.471 8.086 -3.794 1.00 0.00 C ATOM 32 O VAL A 3 -4.331 7.351 -3.343 1.00 0.00 O ATOM 33 CB VAL A 3 -1.110 8.226 -2.704 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.605 9.584 -2.165 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.950 7.207 -1.570 1.00 0.00 C ATOM 0 H VAL A 3 -0.290 8.030 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.075 6.533 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.139 8.440 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.936 9.928 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.617 10.314 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.612 9.471 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.337 7.637 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.931 6.950 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.468 6.308 -1.954 1.00 0.00 H new ATOM 45 N GLU A 4 -3.674 9.309 -4.245 1.00 0.00 N ATOM 46 CA GLU A 4 -5.023 9.990 -4.301 1.00 0.00 C ATOM 47 C GLU A 4 -6.175 8.982 -4.351 1.00 0.00 C ATOM 48 O GLU A 4 -7.097 9.031 -3.565 1.00 0.00 O ATOM 49 CB GLU A 4 -5.152 10.882 -5.572 1.00 0.00 C ATOM 50 CG GLU A 4 -3.898 11.722 -5.896 1.00 0.00 C ATOM 51 CD GLU A 4 -3.489 12.657 -4.742 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.032 12.133 -3.739 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.655 13.852 -4.924 1.00 0.00 O ATOM 0 H GLU A 4 -2.917 9.895 -4.596 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.087 10.590 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.377 10.244 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.001 11.554 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.069 11.053 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.086 12.317 -6.790 1.00 0.00 H new ATOM 60 N GLN A 5 -6.041 8.099 -5.311 1.00 0.00 N ATOM 61 CA GLN A 5 -7.029 7.012 -5.577 1.00 0.00 C ATOM 62 C GLN A 5 -7.493 6.363 -4.263 1.00 0.00 C ATOM 63 O GLN A 5 -8.631 6.532 -3.882 1.00 0.00 O ATOM 64 CB GLN A 5 -6.331 5.990 -6.531 1.00 0.00 C ATOM 65 CG GLN A 5 -7.318 5.445 -7.596 1.00 0.00 C ATOM 66 CD GLN A 5 -8.340 4.474 -6.995 1.00 0.00 C ATOM 67 OE1 GLN A 5 -9.048 4.772 -6.055 1.00 0.00 O ATOM 68 NE2 GLN A 5 -8.452 3.285 -7.519 1.00 0.00 N ATOM 0 H GLN A 5 -5.246 8.091 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.931 7.401 -6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.487 6.470 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.929 5.162 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.842 6.279 -8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.758 4.939 -8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.865 3.019 -8.309 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.127 2.622 -7.139 1.00 0.00 H new ATOM 77 N CYS A 6 -6.603 5.649 -3.620 1.00 0.00 N ATOM 78 CA CYS A 6 -6.909 4.957 -2.323 1.00 0.00 C ATOM 79 C CYS A 6 -7.726 5.790 -1.319 1.00 0.00 C ATOM 80 O CYS A 6 -8.568 5.266 -0.615 1.00 0.00 O ATOM 81 CB CYS A 6 -5.590 4.545 -1.671 1.00 0.00 C ATOM 82 SG CYS A 6 -4.510 3.476 -2.651 1.00 0.00 S ATOM 0 H CYS A 6 -5.647 5.511 -3.948 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.536 4.101 -2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.037 5.449 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.816 4.036 -0.734 1.00 0.00 H new ATOM 87 N CYS A 7 -7.456 7.071 -1.283 1.00 0.00 N ATOM 88 CA CYS A 7 -8.196 7.964 -0.328 1.00 0.00 C ATOM 89 C CYS A 7 -9.564 8.430 -0.850 1.00 0.00 C ATOM 90 O CYS A 7 -10.561 8.313 -0.163 1.00 0.00 O ATOM 91 CB CYS A 7 -7.354 9.218 -0.029 1.00 0.00 C ATOM 92 SG CYS A 7 -8.187 10.531 0.904 1.00 0.00 S ATOM 0 H CYS A 7 -6.762 7.538 -1.867 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.367 7.365 0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.467 8.912 0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.010 9.635 -0.976 1.00 0.00 H new ATOM 97 N THR A 8 -9.558 8.941 -2.053 1.00 0.00 N ATOM 98 CA THR A 8 -10.803 9.450 -2.702 1.00 0.00 C ATOM 99 C THR A 8 -11.827 8.331 -2.988 1.00 0.00 C ATOM 100 O THR A 8 -12.998 8.470 -2.693 1.00 0.00 O ATOM 101 CB THR A 8 -10.352 10.193 -4.007 1.00 0.00 C ATOM 102 OG1 THR A 8 -11.475 10.975 -4.392 1.00 0.00 O ATOM 103 CG2 THR A 8 -10.142 9.274 -5.224 1.00 0.00 C ATOM 0 H THR A 8 -8.720 9.029 -2.628 1.00 0.00 H new ATOM 0 HA THR A 8 -11.329 10.130 -2.032 1.00 0.00 H new ATOM 0 HB THR A 8 -9.419 10.709 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.262 11.473 -5.209 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.831 9.871 -6.081 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.371 8.538 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.075 8.761 -5.458 1.00 0.00 H new ATOM 111 N SER A 9 -11.338 7.261 -3.555 1.00 0.00 N ATOM 112 CA SER A 9 -12.158 6.067 -3.915 1.00 0.00 C ATOM 113 C SER A 9 -11.431 4.853 -3.297 1.00 0.00 C ATOM 114 O SER A 9 -10.688 5.005 -2.346 1.00 0.00 O ATOM 115 CB SER A 9 -12.231 5.994 -5.466 1.00 0.00 C ATOM 116 OG SER A 9 -13.164 4.964 -5.772 1.00 0.00 O ATOM 0 H SER A 9 -10.351 7.163 -3.795 1.00 0.00 H new ATOM 0 HA SER A 9 -13.181 6.102 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.552 6.947 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.252 5.772 -5.892 1.00 0.00 H new ATOM 0 HG SER A 9 -13.249 4.878 -6.745 1.00 0.00 H new ATOM 122 N ILE A 10 -11.660 3.690 -3.847 1.00 0.00 N ATOM 123 CA ILE A 10 -11.016 2.440 -3.335 1.00 0.00 C ATOM 124 C ILE A 10 -9.936 2.049 -4.358 1.00 0.00 C ATOM 125 O ILE A 10 -10.164 2.163 -5.546 1.00 0.00 O ATOM 126 CB ILE A 10 -12.078 1.319 -3.233 1.00 0.00 C ATOM 127 CG1 ILE A 10 -13.379 1.830 -2.530 1.00 0.00 C ATOM 128 CG2 ILE A 10 -11.471 0.118 -2.469 1.00 0.00 C ATOM 129 CD1 ILE A 10 -13.113 2.353 -1.107 1.00 0.00 C ATOM 0 H ILE A 10 -12.279 3.549 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.581 2.590 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.361 1.004 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.823 2.625 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.107 1.020 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.213 -0.677 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.598 -0.251 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.174 0.435 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.048 2.695 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.695 1.552 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.407 3.183 -1.150 1.00 0.00 H new ATOM 141 N CYS A 11 -8.803 1.595 -3.877 1.00 0.00 N ATOM 142 CA CYS A 11 -7.682 1.187 -4.791 1.00 0.00 C ATOM 143 C CYS A 11 -7.350 -0.306 -4.632 1.00 0.00 C ATOM 144 O CYS A 11 -8.151 -1.063 -4.118 1.00 0.00 O ATOM 145 CB CYS A 11 -6.433 2.039 -4.470 1.00 0.00 C ATOM 146 SG CYS A 11 -5.596 1.788 -2.883 1.00 0.00 S ATOM 0 H CYS A 11 -8.603 1.488 -2.883 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.994 1.353 -5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.703 1.866 -5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.724 3.088 -4.528 1.00 0.00 H new ATOM 151 N SER A 12 -6.172 -0.675 -5.081 1.00 0.00 N ATOM 152 CA SER A 12 -5.699 -2.085 -5.004 1.00 0.00 C ATOM 153 C SER A 12 -4.628 -2.190 -3.916 1.00 0.00 C ATOM 154 O SER A 12 -4.295 -1.231 -3.247 1.00 0.00 O ATOM 155 CB SER A 12 -5.094 -2.498 -6.364 1.00 0.00 C ATOM 156 OG SER A 12 -3.917 -1.706 -6.492 1.00 0.00 O ATOM 0 H SER A 12 -5.504 -0.034 -5.509 1.00 0.00 H new ATOM 0 HA SER A 12 -6.534 -2.744 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.859 -3.562 -6.386 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.790 -2.308 -7.181 1.00 0.00 H new ATOM 0 HG SER A 12 -3.472 -1.915 -7.340 1.00 0.00 H new ATOM 162 N LEU A 13 -4.131 -3.388 -3.798 1.00 0.00 N ATOM 163 CA LEU A 13 -3.071 -3.698 -2.800 1.00 0.00 C ATOM 164 C LEU A 13 -1.757 -3.882 -3.577 1.00 0.00 C ATOM 165 O LEU A 13 -0.844 -4.526 -3.095 1.00 0.00 O ATOM 166 CB LEU A 13 -3.432 -5.010 -2.036 1.00 0.00 C ATOM 167 CG LEU A 13 -4.734 -4.926 -1.167 1.00 0.00 C ATOM 168 CD1 LEU A 13 -4.685 -3.732 -0.192 1.00 0.00 C ATOM 169 CD2 LEU A 13 -6.022 -4.865 -2.019 1.00 0.00 C ATOM 0 H LEU A 13 -4.422 -4.184 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.976 -2.896 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.547 -5.816 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.597 -5.279 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.769 -5.851 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.603 -3.704 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.831 -3.842 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.587 -2.805 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.890 -4.808 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.993 -3.984 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.092 -5.760 -2.637 1.00 0.00 H new ATOM 181 N TYR A 14 -1.704 -3.308 -4.760 1.00 0.00 N ATOM 182 CA TYR A 14 -0.478 -3.415 -5.601 1.00 0.00 C ATOM 183 C TYR A 14 0.195 -2.044 -5.603 1.00 0.00 C ATOM 184 O TYR A 14 1.377 -1.949 -5.349 1.00 0.00 O ATOM 185 CB TYR A 14 -0.867 -3.840 -7.035 1.00 0.00 C ATOM 186 CG TYR A 14 0.427 -4.156 -7.822 1.00 0.00 C ATOM 187 CD1 TYR A 14 1.230 -3.144 -8.314 1.00 0.00 C ATOM 188 CD2 TYR A 14 0.810 -5.467 -8.038 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.389 -3.435 -9.004 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.969 -5.759 -8.729 1.00 0.00 C ATOM 191 CZ TYR A 14 2.770 -4.745 -9.218 1.00 0.00 C ATOM 192 OH TYR A 14 3.933 -5.030 -9.910 1.00 0.00 O ATOM 0 H TYR A 14 -2.464 -2.769 -5.175 1.00 0.00 H new ATOM 0 HA TYR A 14 0.207 -4.166 -5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.517 -4.715 -7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.425 -3.044 -7.528 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.947 -2.114 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.196 -6.272 -7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.004 -2.631 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.252 -6.789 -8.889 1.00 0.00 H new ATOM 0 HH TYR A 14 4.049 -6.001 -9.968 1.00 0.00 H new ATOM 202 N GLN A 15 -0.572 -1.023 -5.902 1.00 0.00 N ATOM 203 CA GLN A 15 -0.039 0.382 -5.933 1.00 0.00 C ATOM 204 C GLN A 15 1.050 0.653 -4.867 1.00 0.00 C ATOM 205 O GLN A 15 2.218 0.746 -5.194 1.00 0.00 O ATOM 206 CB GLN A 15 -1.256 1.336 -5.754 1.00 0.00 C ATOM 207 CG GLN A 15 -1.783 1.812 -7.133 1.00 0.00 C ATOM 208 CD GLN A 15 -2.385 0.662 -7.959 1.00 0.00 C ATOM 209 OE1 GLN A 15 -1.747 -0.330 -8.254 1.00 0.00 O ATOM 210 NE2 GLN A 15 -3.623 0.765 -8.357 1.00 0.00 N ATOM 0 H GLN A 15 -1.563 -1.103 -6.130 1.00 0.00 H new ATOM 0 HA GLN A 15 0.462 0.552 -6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.051 0.823 -5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.965 2.197 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.539 2.583 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.967 2.269 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.169 1.592 -8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.045 0.018 -8.909 1.00 0.00 H new ATOM 219 N LEU A 16 0.646 0.763 -3.624 1.00 0.00 N ATOM 220 CA LEU A 16 1.626 1.025 -2.512 1.00 0.00 C ATOM 221 C LEU A 16 2.681 -0.059 -2.218 1.00 0.00 C ATOM 222 O LEU A 16 3.275 -0.068 -1.157 1.00 0.00 O ATOM 223 CB LEU A 16 0.813 1.330 -1.214 1.00 0.00 C ATOM 224 CG LEU A 16 0.570 2.862 -1.161 1.00 0.00 C ATOM 225 CD1 LEU A 16 -0.514 3.266 -2.171 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.160 3.307 0.228 1.00 0.00 C ATOM 0 H LEU A 16 -0.326 0.683 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 16 2.226 1.865 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.135 0.792 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.361 0.999 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 16 1.508 3.354 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.673 4.343 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.195 2.992 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.444 2.750 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.003 4.385 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.761 2.800 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.948 3.057 0.938 1.00 0.00 H new ATOM 238 N GLU A 17 2.902 -0.937 -3.160 1.00 0.00 N ATOM 239 CA GLU A 17 3.917 -2.016 -2.979 1.00 0.00 C ATOM 240 C GLU A 17 5.180 -1.438 -3.643 1.00 0.00 C ATOM 241 O GLU A 17 6.280 -1.889 -3.393 1.00 0.00 O ATOM 242 CB GLU A 17 3.525 -3.309 -3.715 1.00 0.00 C ATOM 243 CG GLU A 17 2.198 -3.893 -3.190 1.00 0.00 C ATOM 244 CD GLU A 17 2.011 -5.319 -3.758 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.087 -5.467 -4.969 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.801 -6.192 -2.930 1.00 0.00 O ATOM 0 H GLU A 17 2.417 -0.953 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 17 4.034 -2.279 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.435 -3.106 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.318 -4.048 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.205 -3.920 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.364 -3.258 -3.488 1.00 0.00 H new ATOM 253 N ASN A 18 4.955 -0.446 -4.475 1.00 0.00 N ATOM 254 CA ASN A 18 6.036 0.255 -5.217 1.00 0.00 C ATOM 255 C ASN A 18 6.275 1.627 -4.548 1.00 0.00 C ATOM 256 O ASN A 18 7.193 2.328 -4.927 1.00 0.00 O ATOM 257 CB ASN A 18 5.569 0.417 -6.675 1.00 0.00 C ATOM 258 CG ASN A 18 6.659 1.084 -7.525 1.00 0.00 C ATOM 259 OD1 ASN A 18 7.748 0.570 -7.686 1.00 0.00 O ATOM 260 ND2 ASN A 18 6.396 2.233 -8.085 1.00 0.00 N ATOM 0 H ASN A 18 4.022 -0.084 -4.672 1.00 0.00 H new ATOM 0 HA ASN A 18 6.972 -0.303 -5.201 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.322 -0.559 -7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.659 1.017 -6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.103 2.696 -8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.483 2.668 -7.952 1.00 0.00 H new ATOM 267 N TYR A 19 5.455 1.974 -3.575 1.00 0.00 N ATOM 268 CA TYR A 19 5.620 3.293 -2.873 1.00 0.00 C ATOM 269 C TYR A 19 6.112 3.013 -1.444 1.00 0.00 C ATOM 270 O TYR A 19 5.581 3.533 -0.482 1.00 0.00 O ATOM 271 CB TYR A 19 4.232 4.071 -2.853 1.00 0.00 C ATOM 272 CG TYR A 19 3.559 3.940 -4.232 1.00 0.00 C ATOM 273 CD1 TYR A 19 4.253 3.945 -5.431 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.201 3.776 -4.262 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.578 3.779 -6.624 1.00 0.00 C ATOM 276 CE2 TYR A 19 1.529 3.608 -5.434 1.00 0.00 C ATOM 277 CZ TYR A 19 2.208 3.606 -6.636 1.00 0.00 C ATOM 278 OH TYR A 19 1.532 3.430 -7.827 1.00 0.00 O ATOM 0 H TYR A 19 4.681 1.401 -3.239 1.00 0.00 H new ATOM 0 HA TYR A 19 6.345 3.918 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.583 3.662 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.394 5.122 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.325 4.079 -5.433 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.649 3.780 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.126 3.784 -7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.457 3.475 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 19 1.208 2.507 -7.886 1.00 0.00 H new ATOM 288 N CYS A 20 7.135 2.192 -1.370 1.00 0.00 N ATOM 289 CA CYS A 20 7.755 1.799 -0.061 1.00 0.00 C ATOM 290 C CYS A 20 9.117 2.480 0.110 1.00 0.00 C ATOM 291 O CYS A 20 9.264 3.408 0.881 1.00 0.00 O ATOM 292 CB CYS A 20 7.977 0.256 0.007 1.00 0.00 C ATOM 293 SG CYS A 20 6.631 -0.904 0.347 1.00 0.00 S ATOM 0 H CYS A 20 7.578 1.767 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 20 7.073 2.111 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.410 -0.040 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.738 0.083 0.768 1.00 0.00 H new ATOM 298 N ASN A 21 10.063 1.974 -0.638 1.00 0.00 N ATOM 299 CA ASN A 21 11.463 2.495 -0.617 1.00 0.00 C ATOM 300 C ASN A 21 11.906 2.825 -2.048 1.00 0.00 C ATOM 301 O ASN A 21 12.808 3.601 -2.292 1.00 0.00 O ATOM 302 CB ASN A 21 12.357 1.405 0.014 1.00 0.00 C ATOM 303 CG ASN A 21 13.748 1.966 0.350 1.00 0.00 C ATOM 304 OD1 ASN A 21 14.517 2.341 -0.512 1.00 0.00 O ATOM 305 ND2 ASN A 21 14.106 2.040 1.603 1.00 0.00 N ATOM 0 H ASN A 21 9.918 1.197 -1.283 1.00 0.00 H new ATOM 0 HA ASN A 21 11.539 3.410 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.886 1.022 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.455 0.566 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.024 2.410 1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.468 1.728 2.335 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 -11.611 -4.529 5.327 1.00 0.00 N ATOM 314 CA PHE B 1 -11.292 -3.726 4.113 1.00 0.00 C ATOM 315 C PHE B 1 -11.914 -4.470 2.919 1.00 0.00 C ATOM 316 O PHE B 1 -11.246 -5.187 2.197 1.00 0.00 O ATOM 317 CB PHE B 1 -9.745 -3.606 3.966 1.00 0.00 C ATOM 318 CG PHE B 1 -9.376 -2.417 3.054 1.00 0.00 C ATOM 319 CD1 PHE B 1 -9.759 -2.359 1.722 1.00 0.00 C ATOM 320 CD2 PHE B 1 -8.640 -1.369 3.578 1.00 0.00 C ATOM 321 CE1 PHE B 1 -9.413 -1.277 0.938 1.00 0.00 C ATOM 322 CE2 PHE B 1 -8.295 -0.288 2.793 1.00 0.00 C ATOM 323 CZ PHE B 1 -8.680 -0.242 1.473 1.00 0.00 C ATOM 0 H1 PHE B 1 -11.209 -4.064 6.166 1.00 0.00 H new ATOM 0 H2 PHE B 1 -12.643 -4.603 5.433 1.00 0.00 H new ATOM 0 H3 PHE B 1 -11.204 -5.481 5.230 1.00 0.00 H new ATOM 0 HA PHE B 1 -11.692 -2.714 4.173 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -9.290 -3.473 4.948 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -9.341 -4.529 3.550 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -10.333 -3.168 1.295 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.332 -1.397 4.613 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -9.718 -1.242 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.722 0.524 3.216 1.00 0.00 H new ATOM 0 HZ PHE B 1 -8.408 0.603 0.859 1.00 0.00 H new ATOM 335 N VAL B 2 -13.198 -4.268 2.763 1.00 0.00 N ATOM 336 CA VAL B 2 -13.973 -4.917 1.647 1.00 0.00 C ATOM 337 C VAL B 2 -14.428 -3.844 0.640 1.00 0.00 C ATOM 338 O VAL B 2 -15.296 -4.052 -0.184 1.00 0.00 O ATOM 339 CB VAL B 2 -15.170 -5.627 2.294 1.00 0.00 C ATOM 340 CG1 VAL B 2 -15.981 -6.495 1.294 1.00 0.00 C ATOM 341 CG2 VAL B 2 -14.712 -6.524 3.468 1.00 0.00 C ATOM 0 H VAL B 2 -13.757 -3.670 3.371 1.00 0.00 H new ATOM 0 HA VAL B 2 -13.367 -5.636 1.097 1.00 0.00 H new ATOM 0 HB VAL B 2 -15.822 -4.831 2.655 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -16.813 -6.969 1.815 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -16.367 -5.863 0.494 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -15.333 -7.263 0.870 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -15.579 -7.016 3.910 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -14.015 -7.277 3.100 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -14.219 -5.912 4.223 1.00 0.00 H new ATOM 351 N ASN B 3 -13.753 -2.741 0.795 1.00 0.00 N ATOM 352 CA ASN B 3 -13.884 -1.454 0.022 1.00 0.00 C ATOM 353 C ASN B 3 -13.826 -0.267 1.003 1.00 0.00 C ATOM 354 O ASN B 3 -14.799 0.422 1.246 1.00 0.00 O ATOM 355 CB ASN B 3 -15.242 -1.383 -0.784 1.00 0.00 C ATOM 356 CG ASN B 3 -16.507 -1.548 0.088 1.00 0.00 C ATOM 357 OD1 ASN B 3 -17.613 -1.466 -0.407 1.00 0.00 O ATOM 358 ND2 ASN B 3 -16.410 -1.781 1.370 1.00 0.00 N ATOM 0 H ASN B 3 -13.030 -2.671 1.511 1.00 0.00 H new ATOM 0 HA ASN B 3 -13.063 -1.411 -0.693 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -15.294 -0.425 -1.302 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -15.238 -2.159 -1.549 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -17.253 -1.890 1.934 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.491 -1.854 1.807 1.00 0.00 H new ATOM 365 N GLN B 4 -12.647 -0.069 1.540 1.00 0.00 N ATOM 366 CA GLN B 4 -12.400 1.029 2.511 1.00 0.00 C ATOM 367 C GLN B 4 -11.367 1.996 1.923 1.00 0.00 C ATOM 368 O GLN B 4 -10.788 1.753 0.882 1.00 0.00 O ATOM 369 CB GLN B 4 -11.912 0.359 3.824 1.00 0.00 C ATOM 370 CG GLN B 4 -11.759 1.359 4.994 1.00 0.00 C ATOM 371 CD GLN B 4 -13.089 2.082 5.235 1.00 0.00 C ATOM 372 OE1 GLN B 4 -14.084 1.476 5.580 1.00 0.00 O ATOM 373 NE2 GLN B 4 -13.151 3.374 5.064 1.00 0.00 N ATOM 0 H GLN B 4 -11.827 -0.641 1.337 1.00 0.00 H new ATOM 0 HA GLN B 4 -13.295 1.616 2.719 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -12.617 -0.421 4.111 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -10.954 -0.128 3.642 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -11.452 0.832 5.897 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -10.977 2.083 4.766 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -12.320 3.891 4.775 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -14.030 3.867 5.220 1.00 0.00 H new ATOM 382 N HIS B 5 -11.178 3.072 2.633 1.00 0.00 N ATOM 383 CA HIS B 5 -10.221 4.140 2.240 1.00 0.00 C ATOM 384 C HIS B 5 -8.985 4.113 3.137 1.00 0.00 C ATOM 385 O HIS B 5 -8.945 3.485 4.178 1.00 0.00 O ATOM 386 CB HIS B 5 -10.905 5.511 2.366 1.00 0.00 C ATOM 387 CG HIS B 5 -12.100 5.586 1.417 1.00 0.00 C ATOM 388 ND1 HIS B 5 -12.010 5.529 0.132 1.00 0.00 N ATOM 389 CD2 HIS B 5 -13.455 5.723 1.666 1.00 0.00 C ATOM 390 CE1 HIS B 5 -13.193 5.620 -0.387 1.00 0.00 C ATOM 391 NE2 HIS B 5 -14.121 5.742 0.529 1.00 0.00 N ATOM 0 H HIS B 5 -11.670 3.260 3.506 1.00 0.00 H new ATOM 0 HA HIS B 5 -9.912 3.968 1.209 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -11.235 5.669 3.393 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -10.195 6.304 2.133 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -11.142 5.428 -0.394 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -13.900 5.803 2.647 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -13.391 5.598 -1.449 1.00 0.00 H new ATOM 399 N LEU B 6 -8.018 4.830 2.646 1.00 0.00 N ATOM 400 CA LEU B 6 -6.694 4.983 3.317 1.00 0.00 C ATOM 401 C LEU B 6 -6.299 6.469 3.384 1.00 0.00 C ATOM 402 O LEU B 6 -5.455 6.904 2.625 1.00 0.00 O ATOM 403 CB LEU B 6 -5.624 4.181 2.522 1.00 0.00 C ATOM 404 CG LEU B 6 -5.888 2.654 2.568 1.00 0.00 C ATOM 405 CD1 LEU B 6 -4.909 1.952 1.598 1.00 0.00 C ATOM 406 CD2 LEU B 6 -5.627 2.116 3.998 1.00 0.00 C ATOM 0 H LEU B 6 -8.093 5.341 1.766 1.00 0.00 H new ATOM 0 HA LEU B 6 -6.757 4.598 4.335 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -5.617 4.516 1.485 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -4.636 4.390 2.932 1.00 0.00 H new ATOM 0 HG LEU B 6 -6.922 2.458 2.285 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -5.084 0.876 1.620 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -5.069 2.325 0.586 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.883 2.159 1.903 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -5.815 1.043 4.023 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -4.591 2.310 4.276 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -6.292 2.617 4.702 1.00 0.00 H new ATOM 418 N CYS B 7 -6.910 7.223 4.267 1.00 0.00 N ATOM 419 CA CYS B 7 -6.555 8.677 4.370 1.00 0.00 C ATOM 420 C CYS B 7 -6.315 9.114 5.831 1.00 0.00 C ATOM 421 O CYS B 7 -7.241 9.169 6.618 1.00 0.00 O ATOM 422 CB CYS B 7 -7.698 9.507 3.734 1.00 0.00 C ATOM 423 SG CYS B 7 -7.154 10.822 2.615 1.00 0.00 S ATOM 0 H CYS B 7 -7.630 6.901 4.914 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.620 8.849 3.837 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -8.356 8.832 3.186 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -8.292 9.952 4.532 1.00 0.00 H new ATOM 428 N GLY B 8 -5.072 9.403 6.146 1.00 0.00 N ATOM 429 CA GLY B 8 -4.690 9.847 7.532 1.00 0.00 C ATOM 430 C GLY B 8 -3.728 8.866 8.215 1.00 0.00 C ATOM 431 O GLY B 8 -4.100 8.256 9.198 1.00 0.00 O ATOM 0 H GLY B 8 -4.292 9.349 5.491 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.225 10.831 7.480 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.590 9.951 8.138 1.00 0.00 H new ATOM 435 N SER B 9 -2.543 8.759 7.651 1.00 0.00 N ATOM 436 CA SER B 9 -1.423 7.861 8.131 1.00 0.00 C ATOM 437 C SER B 9 -1.544 6.571 7.342 1.00 0.00 C ATOM 438 O SER B 9 -0.560 5.986 6.935 1.00 0.00 O ATOM 439 CB SER B 9 -1.525 7.529 9.655 1.00 0.00 C ATOM 440 OG SER B 9 -0.335 6.798 9.922 1.00 0.00 O ATOM 0 H SER B 9 -2.289 9.294 6.821 1.00 0.00 H new ATOM 0 HA SER B 9 -0.469 8.367 7.982 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.582 8.435 10.259 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.415 6.940 9.878 1.00 0.00 H new ATOM 0 HG SER B 9 -0.529 5.838 9.898 1.00 0.00 H new ATOM 446 N HIS B 10 -2.785 6.180 7.189 1.00 0.00 N ATOM 447 CA HIS B 10 -3.190 4.953 6.444 1.00 0.00 C ATOM 448 C HIS B 10 -2.231 4.669 5.285 1.00 0.00 C ATOM 449 O HIS B 10 -1.832 3.544 5.088 1.00 0.00 O ATOM 450 CB HIS B 10 -4.601 5.169 5.919 1.00 0.00 C ATOM 451 CG HIS B 10 -5.587 5.374 7.076 1.00 0.00 C ATOM 452 ND1 HIS B 10 -6.832 5.686 6.928 1.00 0.00 N ATOM 453 CD2 HIS B 10 -5.422 5.283 8.450 1.00 0.00 C ATOM 454 CE1 HIS B 10 -7.400 5.784 8.087 1.00 0.00 C ATOM 455 NE2 HIS B 10 -6.559 5.541 9.062 1.00 0.00 N ATOM 0 H HIS B 10 -3.576 6.696 7.575 1.00 0.00 H new ATOM 0 HA HIS B 10 -3.157 4.091 7.111 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.620 6.038 5.261 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -4.907 4.310 5.322 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -4.495 5.036 8.946 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -8.440 6.035 8.233 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -6.743 5.550 10.065 1.00 0.00 H new ATOM 463 N LEU B 11 -1.899 5.716 4.565 1.00 0.00 N ATOM 464 CA LEU B 11 -0.971 5.598 3.401 1.00 0.00 C ATOM 465 C LEU B 11 0.402 5.085 3.849 1.00 0.00 C ATOM 466 O LEU B 11 0.819 4.030 3.410 1.00 0.00 O ATOM 467 CB LEU B 11 -0.757 6.976 2.707 1.00 0.00 C ATOM 468 CG LEU B 11 -2.038 7.618 2.092 1.00 0.00 C ATOM 469 CD1 LEU B 11 -2.880 6.563 1.343 1.00 0.00 C ATOM 470 CD2 LEU B 11 -2.888 8.352 3.158 1.00 0.00 C ATOM 0 H LEU B 11 -2.239 6.661 4.741 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.430 4.897 2.703 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.337 7.670 3.435 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.016 6.855 1.917 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.709 8.367 1.371 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.768 7.037 0.924 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.287 6.128 0.539 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.181 5.778 2.037 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.770 8.784 2.686 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.198 7.644 3.927 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.295 9.145 3.613 1.00 0.00 H new ATOM 482 N VAL B 12 1.049 5.846 4.707 1.00 0.00 N ATOM 483 CA VAL B 12 2.408 5.466 5.231 1.00 0.00 C ATOM 484 C VAL B 12 2.380 4.016 5.679 1.00 0.00 C ATOM 485 O VAL B 12 3.237 3.234 5.332 1.00 0.00 O ATOM 486 CB VAL B 12 2.815 6.326 6.469 1.00 0.00 C ATOM 487 CG1 VAL B 12 4.327 6.153 6.756 1.00 0.00 C ATOM 488 CG2 VAL B 12 2.504 7.808 6.278 1.00 0.00 C ATOM 0 H VAL B 12 0.688 6.727 5.072 1.00 0.00 H new ATOM 0 HA VAL B 12 3.126 5.631 4.427 1.00 0.00 H new ATOM 0 HB VAL B 12 2.225 5.970 7.314 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.604 6.756 7.621 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.541 5.104 6.961 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.901 6.477 5.888 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.806 8.361 7.167 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.049 8.186 5.413 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.434 7.937 6.117 1.00 0.00 H new ATOM 498 N GLU B 13 1.372 3.702 6.443 1.00 0.00 N ATOM 499 CA GLU B 13 1.252 2.309 6.942 1.00 0.00 C ATOM 500 C GLU B 13 1.094 1.348 5.779 1.00 0.00 C ATOM 501 O GLU B 13 1.983 0.555 5.594 1.00 0.00 O ATOM 502 CB GLU B 13 0.046 2.183 7.870 1.00 0.00 C ATOM 503 CG GLU B 13 0.114 3.262 8.973 1.00 0.00 C ATOM 504 CD GLU B 13 -1.204 3.258 9.763 1.00 0.00 C ATOM 505 OE1 GLU B 13 -1.430 2.276 10.453 1.00 0.00 O ATOM 506 OE2 GLU B 13 -1.915 4.242 9.626 1.00 0.00 O ATOM 0 H GLU B 13 0.635 4.342 6.740 1.00 0.00 H new ATOM 0 HA GLU B 13 2.159 2.061 7.494 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.876 2.293 7.299 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.026 1.191 8.321 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.953 3.065 9.640 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.283 4.243 8.529 1.00 0.00 H new ATOM 513 N ALA B 14 0.014 1.428 5.042 1.00 0.00 N ATOM 514 CA ALA B 14 -0.233 0.526 3.870 1.00 0.00 C ATOM 515 C ALA B 14 1.039 0.177 3.100 1.00 0.00 C ATOM 516 O ALA B 14 1.362 -0.983 2.944 1.00 0.00 O ATOM 517 CB ALA B 14 -1.245 1.216 2.941 1.00 0.00 C ATOM 0 H ALA B 14 -0.732 2.103 5.209 1.00 0.00 H new ATOM 0 HA ALA B 14 -0.623 -0.420 4.246 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.441 0.578 2.079 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -2.175 1.391 3.482 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -0.837 2.168 2.602 1.00 0.00 H new ATOM 523 N LEU B 15 1.743 1.182 2.644 1.00 0.00 N ATOM 524 CA LEU B 15 2.993 0.884 1.890 1.00 0.00 C ATOM 525 C LEU B 15 3.994 0.223 2.843 1.00 0.00 C ATOM 526 O LEU B 15 4.598 -0.771 2.490 1.00 0.00 O ATOM 527 CB LEU B 15 3.531 2.224 1.274 1.00 0.00 C ATOM 528 CG LEU B 15 3.723 3.380 2.280 1.00 0.00 C ATOM 529 CD1 LEU B 15 5.186 3.420 2.757 1.00 0.00 C ATOM 530 CD2 LEU B 15 3.384 4.736 1.611 1.00 0.00 C ATOM 0 H LEU B 15 1.514 2.169 2.757 1.00 0.00 H new ATOM 0 HA LEU B 15 2.818 0.189 1.069 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.486 2.024 0.788 1.00 0.00 H new ATOM 0 HB3 LEU B 15 2.840 2.551 0.497 1.00 0.00 H new ATOM 0 HG LEU B 15 3.058 3.213 3.127 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.315 4.237 3.466 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.437 2.476 3.241 1.00 0.00 H new ATOM 0 HD13 LEU B 15 5.844 3.575 1.902 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.524 5.542 2.331 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.042 4.895 0.757 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.348 4.726 1.274 1.00 0.00 H new ATOM 542 N TYR B 16 4.148 0.758 4.029 1.00 0.00 N ATOM 543 CA TYR B 16 5.109 0.142 4.988 1.00 0.00 C ATOM 544 C TYR B 16 4.537 -1.179 5.506 1.00 0.00 C ATOM 545 O TYR B 16 5.243 -1.883 6.192 1.00 0.00 O ATOM 546 CB TYR B 16 5.375 1.178 6.162 1.00 0.00 C ATOM 547 CG TYR B 16 4.531 1.162 7.478 1.00 0.00 C ATOM 548 CD1 TYR B 16 3.883 0.071 8.042 1.00 0.00 C ATOM 549 CD2 TYR B 16 4.441 2.364 8.163 1.00 0.00 C ATOM 550 CE1 TYR B 16 3.192 0.158 9.210 1.00 0.00 C ATOM 551 CE2 TYR B 16 3.739 2.469 9.347 1.00 0.00 C ATOM 552 CZ TYR B 16 3.105 1.361 9.885 1.00 0.00 C ATOM 553 OH TYR B 16 2.400 1.458 11.068 1.00 0.00 O ATOM 0 H TYR B 16 3.656 1.584 4.369 1.00 0.00 H new ATOM 0 HA TYR B 16 6.059 -0.083 4.503 1.00 0.00 H new ATOM 0 HB2 TYR B 16 6.419 1.063 6.455 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.272 2.175 5.733 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.929 -0.881 7.535 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.931 3.238 7.761 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.708 -0.719 9.613 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.684 3.420 9.856 1.00 0.00 H new ATOM 0 HH TYR B 16 2.447 2.378 11.402 1.00 0.00 H new ATOM 563 N LEU B 17 3.301 -1.486 5.170 1.00 0.00 N ATOM 564 CA LEU B 17 2.629 -2.743 5.621 1.00 0.00 C ATOM 565 C LEU B 17 3.128 -3.779 4.621 1.00 0.00 C ATOM 566 O LEU B 17 3.593 -4.828 5.022 1.00 0.00 O ATOM 567 CB LEU B 17 1.092 -2.517 5.545 1.00 0.00 C ATOM 568 CG LEU B 17 0.312 -3.443 6.507 1.00 0.00 C ATOM 569 CD1 LEU B 17 -1.170 -3.007 6.511 1.00 0.00 C ATOM 570 CD2 LEU B 17 0.384 -4.902 6.037 1.00 0.00 C ATOM 0 H LEU B 17 2.716 -0.893 4.582 1.00 0.00 H new ATOM 0 HA LEU B 17 2.844 -3.054 6.643 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.868 -1.477 5.784 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.752 -2.689 4.524 1.00 0.00 H new ATOM 0 HG LEU B 17 0.751 -3.368 7.502 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.737 -3.650 7.185 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.244 -1.973 6.848 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -1.576 -3.090 5.503 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.172 -5.535 6.729 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -0.050 -4.985 5.041 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.425 -5.224 6.007 1.00 0.00 H new ATOM 582 N VAL B 18 3.007 -3.455 3.352 1.00 0.00 N ATOM 583 CA VAL B 18 3.481 -4.383 2.274 1.00 0.00 C ATOM 584 C VAL B 18 4.930 -4.725 2.646 1.00 0.00 C ATOM 585 O VAL B 18 5.355 -5.863 2.612 1.00 0.00 O ATOM 586 CB VAL B 18 3.444 -3.671 0.899 1.00 0.00 C ATOM 587 CG1 VAL B 18 4.038 -4.622 -0.176 1.00 0.00 C ATOM 588 CG2 VAL B 18 1.979 -3.343 0.542 1.00 0.00 C ATOM 0 H VAL B 18 2.598 -2.583 3.017 1.00 0.00 H new ATOM 0 HA VAL B 18 2.854 -5.271 2.198 1.00 0.00 H new ATOM 0 HB VAL B 18 4.026 -2.750 0.937 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.017 -4.130 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.068 -4.867 0.084 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.447 -5.537 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL B 18 1.944 -2.841 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL B 18 1.401 -4.266 0.493 1.00 0.00 H new ATOM 0 HG23 VAL B 18 1.556 -2.690 1.305 1.00 0.00 H new ATOM 598 N CYS B 19 5.616 -3.668 2.997 1.00 0.00 N ATOM 599 CA CYS B 19 7.045 -3.745 3.406 1.00 0.00 C ATOM 600 C CYS B 19 7.163 -3.610 4.945 1.00 0.00 C ATOM 601 O CYS B 19 8.044 -2.959 5.472 1.00 0.00 O ATOM 602 CB CYS B 19 7.771 -2.615 2.678 1.00 0.00 C ATOM 603 SG CYS B 19 7.639 -2.581 0.869 1.00 0.00 S ATOM 0 H CYS B 19 5.228 -2.725 3.016 1.00 0.00 H new ATOM 0 HA CYS B 19 7.491 -4.704 3.142 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.394 -1.667 3.063 1.00 0.00 H new ATOM 0 HB3 CYS B 19 8.828 -2.668 2.939 1.00 0.00 H new ATOM 608 N GLY B 20 6.236 -4.261 5.600 1.00 0.00 N ATOM 609 CA GLY B 20 6.137 -4.290 7.105 1.00 0.00 C ATOM 610 C GLY B 20 6.188 -5.768 7.511 1.00 0.00 C ATOM 611 O GLY B 20 5.462 -6.217 8.375 1.00 0.00 O ATOM 0 H GLY B 20 5.506 -4.801 5.136 1.00 0.00 H new ATOM 0 HA2 GLY B 20 6.957 -3.733 7.559 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.211 -3.826 7.443 1.00 0.00 H new ATOM 615 N GLU B 21 7.088 -6.436 6.831 1.00 0.00 N ATOM 616 CA GLU B 21 7.406 -7.900 6.968 1.00 0.00 C ATOM 617 C GLU B 21 6.403 -8.750 7.777 1.00 0.00 C ATOM 618 O GLU B 21 6.463 -8.817 8.990 1.00 0.00 O ATOM 619 CB GLU B 21 8.825 -8.016 7.595 1.00 0.00 C ATOM 620 CG GLU B 21 9.925 -7.579 6.580 1.00 0.00 C ATOM 621 CD GLU B 21 9.737 -6.119 6.111 1.00 0.00 C ATOM 622 OE1 GLU B 21 9.827 -5.249 6.963 1.00 0.00 O ATOM 623 OE2 GLU B 21 9.506 -5.952 4.923 1.00 0.00 O ATOM 0 H GLU B 21 7.666 -5.982 6.123 1.00 0.00 H new ATOM 0 HA GLU B 21 7.345 -8.318 5.963 1.00 0.00 H new ATOM 0 HB2 GLU B 21 8.883 -7.395 8.489 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.004 -9.044 7.910 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.907 -7.687 7.041 1.00 0.00 H new ATOM 0 HG3 GLU B 21 9.904 -8.242 5.715 1.00 0.00 H new ATOM 630 N ARG B 22 5.508 -9.367 7.043 1.00 0.00 N ATOM 631 CA ARG B 22 4.444 -10.241 7.640 1.00 0.00 C ATOM 632 C ARG B 22 4.549 -11.694 7.170 1.00 0.00 C ATOM 633 O ARG B 22 4.688 -12.603 7.966 1.00 0.00 O ATOM 634 CB ARG B 22 3.068 -9.661 7.255 1.00 0.00 C ATOM 635 CG ARG B 22 2.880 -8.287 7.932 1.00 0.00 C ATOM 636 CD ARG B 22 1.630 -7.597 7.370 1.00 0.00 C ATOM 637 NE ARG B 22 0.435 -8.473 7.585 1.00 0.00 N ATOM 638 CZ ARG B 22 -0.262 -8.918 6.570 1.00 0.00 C ATOM 639 NH1 ARG B 22 -0.547 -8.117 5.578 1.00 0.00 N ATOM 640 NH2 ARG B 22 -0.655 -10.161 6.581 1.00 0.00 N ATOM 0 H ARG B 22 5.469 -9.300 6.026 1.00 0.00 H new ATOM 0 HA ARG B 22 4.574 -10.251 8.722 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.995 -9.558 6.172 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.275 -10.342 7.564 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.783 -8.413 9.010 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.758 -7.664 7.761 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.482 -6.635 7.860 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.760 -7.396 6.307 1.00 0.00 H new ATOM 0 HE ARG B 22 0.160 -8.726 8.534 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.227 -7.149 5.596 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.090 -8.460 4.785 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.418 -10.764 7.369 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.199 -10.531 5.802 1.00 0.00 H new ATOM 654 N GLY B 23 4.476 -11.849 5.876 1.00 0.00 N ATOM 655 CA GLY B 23 4.556 -13.199 5.234 1.00 0.00 C ATOM 656 C GLY B 23 5.771 -13.333 4.321 1.00 0.00 C ATOM 657 O GLY B 23 6.600 -14.206 4.497 1.00 0.00 O ATOM 0 H GLY B 23 4.361 -11.078 5.218 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.599 -13.965 6.008 1.00 0.00 H new ATOM 0 HA3 GLY B 23 3.649 -13.379 4.657 1.00 0.00 H new ATOM 661 N GLY B 24 5.817 -12.439 3.374 1.00 0.00 N ATOM 662 CA GLY B 24 6.929 -12.405 2.375 1.00 0.00 C ATOM 663 C GLY B 24 7.768 -11.127 2.457 1.00 0.00 C ATOM 664 O GLY B 24 7.555 -10.275 3.298 1.00 0.00 O ATOM 0 H GLY B 24 5.114 -11.711 3.245 1.00 0.00 H new ATOM 0 HA2 GLY B 24 7.576 -13.268 2.530 1.00 0.00 H new ATOM 0 HA3 GLY B 24 6.512 -12.495 1.372 1.00 0.00 H new ATOM 668 N PHE B 25 8.708 -11.068 1.548 1.00 0.00 N ATOM 669 CA PHE B 25 9.654 -9.913 1.433 1.00 0.00 C ATOM 670 C PHE B 25 9.441 -9.290 0.044 1.00 0.00 C ATOM 671 O PHE B 25 8.504 -9.642 -0.649 1.00 0.00 O ATOM 672 CB PHE B 25 11.105 -10.420 1.553 1.00 0.00 C ATOM 673 CG PHE B 25 11.239 -11.399 2.728 1.00 0.00 C ATOM 674 CD1 PHE B 25 11.173 -10.954 4.034 1.00 0.00 C ATOM 675 CD2 PHE B 25 11.421 -12.750 2.485 1.00 0.00 C ATOM 676 CE1 PHE B 25 11.287 -11.845 5.082 1.00 0.00 C ATOM 677 CE2 PHE B 25 11.534 -13.641 3.530 1.00 0.00 C ATOM 678 CZ PHE B 25 11.467 -13.189 4.830 1.00 0.00 C ATOM 0 H PHE B 25 8.865 -11.800 0.855 1.00 0.00 H new ATOM 0 HA PHE B 25 9.474 -9.182 2.221 1.00 0.00 H new ATOM 0 HB2 PHE B 25 11.402 -10.912 0.627 1.00 0.00 H new ATOM 0 HB3 PHE B 25 11.780 -9.576 1.696 1.00 0.00 H new ATOM 0 HD1 PHE B 25 11.031 -9.903 4.236 1.00 0.00 H new ATOM 0 HD2 PHE B 25 11.475 -13.108 1.468 1.00 0.00 H new ATOM 0 HE1 PHE B 25 11.235 -11.489 6.100 1.00 0.00 H new ATOM 0 HE2 PHE B 25 11.675 -14.693 3.330 1.00 0.00 H new ATOM 0 HZ PHE B 25 11.555 -13.886 5.650 1.00 0.00 H new ATOM 688 N TYR B 26 10.314 -8.384 -0.324 1.00 0.00 N ATOM 689 CA TYR B 26 10.201 -7.720 -1.660 1.00 0.00 C ATOM 690 C TYR B 26 11.433 -8.137 -2.481 1.00 0.00 C ATOM 691 O TYR B 26 12.025 -7.361 -3.207 1.00 0.00 O ATOM 692 CB TYR B 26 10.134 -6.172 -1.444 1.00 0.00 C ATOM 693 CG TYR B 26 11.477 -5.540 -1.014 1.00 0.00 C ATOM 694 CD1 TYR B 26 12.108 -5.873 0.172 1.00 0.00 C ATOM 695 CD2 TYR B 26 12.075 -4.606 -1.842 1.00 0.00 C ATOM 696 CE1 TYR B 26 13.307 -5.284 0.517 1.00 0.00 C ATOM 697 CE2 TYR B 26 13.273 -4.018 -1.495 1.00 0.00 C ATOM 698 CZ TYR B 26 13.899 -4.353 -0.312 1.00 0.00 C ATOM 699 OH TYR B 26 15.098 -3.765 0.038 1.00 0.00 O ATOM 0 H TYR B 26 11.102 -8.075 0.245 1.00 0.00 H new ATOM 0 HA TYR B 26 9.300 -8.017 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR B 26 9.801 -5.700 -2.369 1.00 0.00 H new ATOM 0 HB3 TYR B 26 9.382 -5.953 -0.686 1.00 0.00 H new ATOM 0 HD1 TYR B 26 11.658 -6.600 0.833 1.00 0.00 H new ATOM 0 HD2 TYR B 26 11.597 -4.334 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR B 26 13.787 -5.554 1.446 1.00 0.00 H new ATOM 0 HE2 TYR B 26 13.724 -3.291 -2.153 1.00 0.00 H new ATOM 0 HH TYR B 26 15.370 -3.135 -0.662 1.00 0.00 H new ATOM 709 N THR B 27 11.758 -9.397 -2.318 1.00 0.00 N ATOM 710 CA THR B 27 12.923 -10.020 -3.019 1.00 0.00 C ATOM 711 C THR B 27 12.530 -11.233 -3.908 1.00 0.00 C ATOM 712 O THR B 27 13.279 -12.186 -4.008 1.00 0.00 O ATOM 713 CB THR B 27 13.950 -10.450 -1.931 1.00 0.00 C ATOM 714 OG1 THR B 27 13.235 -11.350 -1.092 1.00 0.00 O ATOM 715 CG2 THR B 27 14.340 -9.270 -1.015 1.00 0.00 C ATOM 0 H THR B 27 11.248 -10.037 -1.710 1.00 0.00 H new ATOM 0 HA THR B 27 13.350 -9.286 -3.702 1.00 0.00 H new ATOM 0 HB THR B 27 14.845 -10.851 -2.407 1.00 0.00 H new ATOM 0 HG1 THR B 27 13.824 -11.668 -0.376 1.00 0.00 H new ATOM 0 HG21 THR B 27 15.058 -9.610 -0.269 1.00 0.00 H new ATOM 0 HG22 THR B 27 14.787 -8.477 -1.614 1.00 0.00 H new ATOM 0 HG23 THR B 27 13.450 -8.888 -0.514 1.00 0.00 H new ATOM 723 N PRO B 28 11.375 -11.183 -4.533 1.00 0.00 N ATOM 724 CA PRO B 28 11.212 -11.549 -5.961 1.00 0.00 C ATOM 725 C PRO B 28 11.322 -10.295 -6.854 1.00 0.00 C ATOM 726 O PRO B 28 11.493 -10.405 -8.052 1.00 0.00 O ATOM 727 CB PRO B 28 9.852 -12.221 -5.969 1.00 0.00 C ATOM 728 CG PRO B 28 9.029 -11.359 -4.964 1.00 0.00 C ATOM 729 CD PRO B 28 10.059 -10.822 -3.926 1.00 0.00 C ATOM 0 HA PRO B 28 11.978 -12.209 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.406 -12.217 -6.964 1.00 0.00 H new ATOM 0 HB3 PRO B 28 9.914 -13.262 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.524 -10.539 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO B 28 8.257 -11.955 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO B 28 9.963 -9.746 -3.783 1.00 0.00 H new ATOM 0 HD3 PRO B 28 9.925 -11.286 -2.949 1.00 0.00 H new ATOM 737 N LYS B 29 11.220 -9.147 -6.226 1.00 0.00 N ATOM 738 CA LYS B 29 11.308 -7.835 -6.943 1.00 0.00 C ATOM 739 C LYS B 29 12.561 -7.086 -6.457 1.00 0.00 C ATOM 740 O LYS B 29 13.369 -7.630 -5.729 1.00 0.00 O ATOM 741 CB LYS B 29 10.050 -6.983 -6.645 1.00 0.00 C ATOM 742 CG LYS B 29 8.769 -7.711 -7.113 1.00 0.00 C ATOM 743 CD LYS B 29 7.556 -6.747 -7.030 1.00 0.00 C ATOM 744 CE LYS B 29 7.553 -5.760 -8.224 1.00 0.00 C ATOM 745 NZ LYS B 29 6.467 -4.755 -8.037 1.00 0.00 N ATOM 0 H LYS B 29 11.076 -9.064 -5.220 1.00 0.00 H new ATOM 0 HA LYS B 29 11.370 -8.010 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS B 29 9.988 -6.780 -5.576 1.00 0.00 H new ATOM 0 HB3 LYS B 29 10.130 -6.020 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS B 29 8.894 -8.065 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS B 29 8.591 -8.589 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.629 -7.321 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.591 -6.191 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS B 29 8.518 -5.259 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.404 -6.303 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.692 -4.954 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 6.110 -4.807 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.841 -3.802 -8.218 1.00 0.00 H new ATOM 759 N THR B 30 12.673 -5.854 -6.885 1.00 0.00 N ATOM 760 CA THR B 30 13.831 -4.983 -6.509 1.00 0.00 C ATOM 761 C THR B 30 13.355 -3.821 -5.622 1.00 0.00 C ATOM 762 O THR B 30 12.182 -3.628 -5.367 1.00 0.00 O ATOM 763 CB THR B 30 14.473 -4.465 -7.822 1.00 0.00 C ATOM 764 OG1 THR B 30 15.536 -3.613 -7.411 1.00 0.00 O ATOM 765 CG2 THR B 30 13.508 -3.560 -8.629 1.00 0.00 C ATOM 0 H THR B 30 11.992 -5.403 -7.496 1.00 0.00 H new ATOM 0 HA THR B 30 14.569 -5.543 -5.935 1.00 0.00 H new ATOM 0 HB THR B 30 14.763 -5.316 -8.438 1.00 0.00 H new ATOM 0 HG1 THR B 30 15.989 -3.250 -8.201 1.00 0.00 H new ATOM 0 HG21 THR B 30 14.002 -3.222 -9.540 1.00 0.00 H new ATOM 0 HG22 THR B 30 12.613 -4.124 -8.890 1.00 0.00 H new ATOM 0 HG23 THR B 30 13.229 -2.696 -8.025 1.00 0.00 H new TER 773 THR B 30