USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 4 GLN : amide:sc= 0.944 K(o=1.8,f=0.017) USER MOD Set 1.2: B 5 HIS : no HE2:sc= 0.809 K(o=1.8,f=-0.32) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.721 K(o=0.73,f=0) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0.00618 USER MOD Single : A 1 GLY N :NH3+ -161:sc= 1.19 (180deg=0.908) USER MOD Single : A 8 THR OG1 : rot 160:sc= 0.0185 USER MOD Single : A 9 SER OG : rot 180:sc= 0.148 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=-0.00831 X(o=-0.0083,f=-0.35) USER MOD Single : A 18 ASN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 1 PHE N :NH3+ -113:sc= 0.0725 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.662 X(o=0.66,f=0.23) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.152 K(o=0.15,f=-0.75) 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 USER MOD Single : B 28 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.17) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.510 5.662 -2.499 1.00 0.00 N ATOM 2 CA GLY A 1 -4.416 4.529 -3.450 1.00 0.00 C ATOM 3 C GLY A 1 -3.024 3.913 -3.491 1.00 0.00 C ATOM 4 O GLY A 1 -2.124 4.336 -2.764 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.508 5.836 -2.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.985 5.431 -1.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.103 6.515 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.140 3.764 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.686 4.874 -4.448 1.00 0.00 H new ATOM 10 N ILE A 2 -2.824 2.883 -4.322 1.00 0.00 N ATOM 11 CA ILE A 2 -1.574 2.088 -4.346 1.00 0.00 C ATOM 12 C ILE A 2 -0.394 2.793 -5.036 1.00 0.00 C ATOM 13 O ILE A 2 0.742 2.686 -4.579 1.00 0.00 O ATOM 14 CB ILE A 2 -1.845 0.690 -4.941 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.686 -0.263 -4.593 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.141 0.727 -6.447 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.907 -1.707 -5.056 1.00 0.00 C ATOM 0 H ILE A 2 -3.520 2.571 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.255 1.975 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.756 0.304 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.231 0.116 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.536 -0.257 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.323 -0.286 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.023 1.341 -6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.287 1.152 -6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.048 -2.315 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.805 -2.107 -4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.026 -1.728 -6.139 1.00 0.00 H new ATOM 29 N VAL A 3 -0.638 3.573 -6.095 1.00 0.00 N ATOM 30 CA VAL A 3 0.431 4.298 -6.821 1.00 0.00 C ATOM 31 C VAL A 3 1.093 5.369 -5.939 1.00 0.00 C ATOM 32 O VAL A 3 2.299 5.595 -6.019 1.00 0.00 O ATOM 33 CB VAL A 3 -0.118 4.854 -8.152 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.111 6.011 -7.976 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.006 5.295 -9.095 1.00 0.00 C ATOM 0 H VAL A 3 -1.572 3.724 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 3 1.229 3.598 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.660 4.019 -8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.453 6.349 -8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.965 5.671 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.621 6.836 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.575 5.680 -10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.596 6.077 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.647 4.443 -9.320 1.00 0.00 H new ATOM 45 N GLU A 4 0.331 5.922 -4.992 1.00 0.00 N ATOM 46 CA GLU A 4 0.771 6.878 -3.961 1.00 0.00 C ATOM 47 C GLU A 4 1.594 6.224 -2.826 1.00 0.00 C ATOM 48 O GLU A 4 1.947 6.885 -1.846 1.00 0.00 O ATOM 49 CB GLU A 4 -0.465 7.590 -3.377 1.00 0.00 C ATOM 50 CG GLU A 4 -1.326 8.313 -4.422 1.00 0.00 C ATOM 51 CD GLU A 4 -2.577 8.910 -3.760 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.508 8.131 -3.437 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.642 10.148 -3.557 1.00 0.00 O ATOM 0 H GLU A 4 -0.663 5.706 -4.916 1.00 0.00 H new ATOM 0 HA GLU A 4 1.437 7.592 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.082 6.856 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.135 8.313 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.746 9.103 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.619 7.616 -5.207 1.00 0.00 H new ATOM 60 N GLN A 5 1.899 4.925 -2.953 1.00 0.00 N ATOM 61 CA GLN A 5 2.745 4.142 -2.046 1.00 0.00 C ATOM 62 C GLN A 5 3.861 3.390 -2.794 1.00 0.00 C ATOM 63 O GLN A 5 5.008 3.397 -2.352 1.00 0.00 O ATOM 64 CB GLN A 5 1.869 3.131 -1.287 1.00 0.00 C ATOM 65 CG GLN A 5 0.862 3.774 -0.321 1.00 0.00 C ATOM 66 CD GLN A 5 -0.160 2.743 0.152 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.030 2.031 1.132 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.267 2.606 -0.549 1.00 0.00 N ATOM 0 H GLN A 5 1.544 4.366 -3.729 1.00 0.00 H new ATOM 0 HA GLN A 5 3.223 4.835 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.325 2.523 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.515 2.456 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.389 4.193 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.351 4.600 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.430 3.196 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.961 1.910 -0.276 1.00 0.00 H new ATOM 77 N CYS A 6 3.542 2.764 -3.933 1.00 0.00 N ATOM 78 CA CYS A 6 4.424 1.826 -4.642 1.00 0.00 C ATOM 79 C CYS A 6 5.137 2.400 -5.885 1.00 0.00 C ATOM 80 O CYS A 6 5.997 1.722 -6.451 1.00 0.00 O ATOM 81 CB CYS A 6 3.610 0.570 -4.974 1.00 0.00 C ATOM 82 SG CYS A 6 2.696 -0.153 -3.573 1.00 0.00 S ATOM 0 H CYS A 6 2.644 2.898 -4.398 1.00 0.00 H new ATOM 0 HA CYS A 6 5.252 1.590 -3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.899 0.815 -5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.285 -0.186 -5.376 1.00 0.00 H new ATOM 87 N CYS A 7 4.807 3.636 -6.289 1.00 0.00 N ATOM 88 CA CYS A 7 5.535 4.407 -7.308 1.00 0.00 C ATOM 89 C CYS A 7 6.269 5.618 -6.696 1.00 0.00 C ATOM 90 O CYS A 7 7.406 5.912 -7.072 1.00 0.00 O ATOM 91 CB CYS A 7 4.556 4.812 -8.414 1.00 0.00 C ATOM 92 SG CYS A 7 5.260 5.858 -9.711 1.00 0.00 S ATOM 0 H CYS A 7 4.007 4.139 -5.907 1.00 0.00 H new ATOM 0 HA CYS A 7 6.316 3.784 -7.744 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.156 3.908 -8.874 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.716 5.337 -7.960 1.00 0.00 H new ATOM 97 N THR A 8 5.661 6.291 -5.711 1.00 0.00 N ATOM 98 CA THR A 8 6.286 7.373 -4.919 1.00 0.00 C ATOM 99 C THR A 8 7.351 6.853 -3.940 1.00 0.00 C ATOM 100 O THR A 8 8.332 7.546 -3.658 1.00 0.00 O ATOM 101 CB THR A 8 5.216 8.118 -4.108 1.00 0.00 C ATOM 102 OG1 THR A 8 4.485 7.174 -3.357 1.00 0.00 O ATOM 103 CG2 THR A 8 4.224 8.871 -5.000 1.00 0.00 C ATOM 0 H THR A 8 4.699 6.099 -5.431 1.00 0.00 H new ATOM 0 HA THR A 8 6.771 8.037 -5.635 1.00 0.00 H new ATOM 0 HB THR A 8 5.729 8.843 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.033 7.626 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.489 9.380 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.760 9.605 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.716 8.164 -5.657 1.00 0.00 H new ATOM 111 N SER A 9 7.167 5.626 -3.452 1.00 0.00 N ATOM 112 CA SER A 9 8.110 4.830 -2.651 1.00 0.00 C ATOM 113 C SER A 9 8.084 3.368 -3.140 1.00 0.00 C ATOM 114 O SER A 9 7.624 3.098 -4.253 1.00 0.00 O ATOM 115 CB SER A 9 7.752 4.981 -1.162 1.00 0.00 C ATOM 116 OG SER A 9 8.809 4.502 -0.342 1.00 0.00 O ATOM 0 H SER A 9 6.295 5.123 -3.615 1.00 0.00 H new ATOM 0 HA SER A 9 9.133 5.185 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.554 6.028 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.837 4.429 -0.945 1.00 0.00 H new ATOM 0 HG SER A 9 8.565 4.607 0.601 1.00 0.00 H new ATOM 122 N ILE A 10 8.602 2.417 -2.356 1.00 0.00 N ATOM 123 CA ILE A 10 8.710 0.990 -2.716 1.00 0.00 C ATOM 124 C ILE A 10 7.823 0.111 -1.820 1.00 0.00 C ATOM 125 O ILE A 10 7.714 0.342 -0.614 1.00 0.00 O ATOM 126 CB ILE A 10 10.195 0.552 -2.745 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.954 1.385 -3.806 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.321 -0.956 -3.029 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.411 0.973 -4.043 1.00 0.00 C ATOM 0 H ILE A 10 8.969 2.619 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 10 8.324 0.850 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 10 10.640 0.734 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.416 1.316 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.934 2.432 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.374 -1.237 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.807 -1.517 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.871 -1.183 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.852 1.617 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.973 1.071 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.446 -0.063 -4.381 1.00 0.00 H new ATOM 141 N CYS A 11 7.213 -0.914 -2.423 1.00 0.00 N ATOM 142 CA CYS A 11 6.324 -1.891 -1.787 1.00 0.00 C ATOM 143 C CYS A 11 6.818 -3.337 -1.952 1.00 0.00 C ATOM 144 O CYS A 11 7.381 -3.702 -2.986 1.00 0.00 O ATOM 145 CB CYS A 11 4.935 -1.775 -2.428 1.00 0.00 C ATOM 146 SG CYS A 11 4.057 -0.239 -2.064 1.00 0.00 S ATOM 0 H CYS A 11 7.332 -1.094 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 11 6.299 -1.670 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.040 -1.869 -3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.325 -2.614 -2.093 1.00 0.00 H new ATOM 151 N SER A 12 6.551 -4.178 -0.952 1.00 0.00 N ATOM 152 CA SER A 12 6.730 -5.636 -1.004 1.00 0.00 C ATOM 153 C SER A 12 5.452 -6.316 -1.504 1.00 0.00 C ATOM 154 O SER A 12 4.360 -5.738 -1.489 1.00 0.00 O ATOM 155 CB SER A 12 7.127 -6.162 0.381 1.00 0.00 C ATOM 156 OG SER A 12 6.067 -5.976 1.305 1.00 0.00 O ATOM 0 H SER A 12 6.192 -3.856 -0.053 1.00 0.00 H new ATOM 0 HA SER A 12 7.530 -5.871 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.379 -7.220 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.019 -5.643 0.732 1.00 0.00 H new ATOM 0 HG SER A 12 6.335 -6.318 2.183 1.00 0.00 H new ATOM 162 N LEU A 13 5.568 -7.579 -1.906 1.00 0.00 N ATOM 163 CA LEU A 13 4.441 -8.403 -2.343 1.00 0.00 C ATOM 164 C LEU A 13 3.324 -8.541 -1.290 1.00 0.00 C ATOM 165 O LEU A 13 2.153 -8.666 -1.647 1.00 0.00 O ATOM 166 CB LEU A 13 4.994 -9.760 -2.806 1.00 0.00 C ATOM 167 CG LEU A 13 5.470 -10.770 -1.739 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.932 -12.042 -2.452 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.647 -10.287 -0.887 1.00 0.00 C ATOM 0 H LEU A 13 6.462 -8.068 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 13 3.945 -7.903 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.221 -10.247 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.833 -9.565 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 13 4.622 -10.923 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.273 -12.769 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.102 -12.463 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.751 -11.802 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.914 -11.059 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.502 -10.081 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.364 -9.377 -0.357 1.00 0.00 H new ATOM 181 N TYR A 14 3.654 -8.413 -0.003 1.00 0.00 N ATOM 182 CA TYR A 14 2.682 -8.419 1.097 1.00 0.00 C ATOM 183 C TYR A 14 1.787 -7.167 1.101 1.00 0.00 C ATOM 184 O TYR A 14 0.619 -7.235 1.492 1.00 0.00 O ATOM 185 CB TYR A 14 3.440 -8.549 2.429 1.00 0.00 C ATOM 186 CG TYR A 14 4.418 -9.716 2.493 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.965 -11.030 2.264 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.781 -9.483 2.762 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.870 -12.111 2.295 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.689 -10.560 2.801 1.00 0.00 C ATOM 191 CZ TYR A 14 6.237 -11.878 2.568 1.00 0.00 C ATOM 192 OH TYR A 14 7.124 -12.912 2.608 1.00 0.00 O ATOM 0 H TYR A 14 4.618 -8.300 0.311 1.00 0.00 H new ATOM 0 HA TYR A 14 2.016 -9.271 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.987 -7.624 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.715 -8.656 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.919 -11.210 2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.131 -8.477 2.939 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.519 -13.116 2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.733 -10.377 3.009 1.00 0.00 H new ATOM 0 HH TYR A 14 8.019 -12.567 2.808 1.00 0.00 H new ATOM 202 N GLN A 15 2.301 -6.035 0.608 1.00 0.00 N ATOM 203 CA GLN A 15 1.520 -4.814 0.375 1.00 0.00 C ATOM 204 C GLN A 15 0.667 -4.914 -0.901 1.00 0.00 C ATOM 205 O GLN A 15 -0.393 -4.290 -0.973 1.00 0.00 O ATOM 206 CB GLN A 15 2.439 -3.582 0.302 1.00 0.00 C ATOM 207 CG GLN A 15 3.375 -3.413 1.511 1.00 0.00 C ATOM 208 CD GLN A 15 2.665 -3.279 2.861 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.503 -2.907 2.978 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.340 -3.566 3.954 1.00 0.00 N ATOM 0 H GLN A 15 3.285 -5.939 0.356 1.00 0.00 H new ATOM 0 HA GLN A 15 0.843 -4.701 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.043 -3.648 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.822 -2.689 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.048 -4.270 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.994 -2.530 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.309 -3.878 3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.894 -3.476 4.867 1.00 0.00 H new ATOM 219 N LEU A 16 1.081 -5.718 -1.893 1.00 0.00 N ATOM 220 CA LEU A 16 0.299 -5.955 -3.114 1.00 0.00 C ATOM 221 C LEU A 16 -0.863 -6.943 -2.883 1.00 0.00 C ATOM 222 O LEU A 16 -1.937 -6.769 -3.458 1.00 0.00 O ATOM 223 CB LEU A 16 1.211 -6.436 -4.257 1.00 0.00 C ATOM 224 CG LEU A 16 2.413 -5.545 -4.637 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.911 -5.927 -6.030 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.136 -4.041 -4.658 1.00 0.00 C ATOM 0 H LEU A 16 1.968 -6.222 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.148 -5.003 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.594 -7.420 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.595 -6.565 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 16 3.146 -5.726 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.760 -5.298 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.219 -6.972 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.110 -5.784 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.045 -3.508 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.352 -3.826 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.814 -3.717 -3.669 1.00 0.00 H new ATOM 238 N GLU A 17 -0.698 -7.930 -1.992 1.00 0.00 N ATOM 239 CA GLU A 17 -1.767 -8.878 -1.619 1.00 0.00 C ATOM 240 C GLU A 17 -3.008 -8.203 -1.015 1.00 0.00 C ATOM 241 O GLU A 17 -4.119 -8.719 -1.162 1.00 0.00 O ATOM 242 CB GLU A 17 -1.242 -9.937 -0.633 1.00 0.00 C ATOM 243 CG GLU A 17 -0.515 -11.080 -1.343 1.00 0.00 C ATOM 244 CD GLU A 17 -0.165 -12.209 -0.356 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.828 -12.078 0.398 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.884 -13.239 -0.329 1.00 0.00 O ATOM 0 H GLU A 17 0.183 -8.097 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.075 -9.348 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.564 -9.464 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.076 -10.341 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.142 -11.473 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.396 -10.703 -1.808 1.00 0.00 H new ATOM 253 N ASN A 18 -2.852 -7.018 -0.414 1.00 0.00 N ATOM 254 CA ASN A 18 -3.958 -6.181 0.062 1.00 0.00 C ATOM 255 C ASN A 18 -4.945 -5.780 -1.069 1.00 0.00 C ATOM 256 O ASN A 18 -6.110 -5.487 -0.795 1.00 0.00 O ATOM 257 CB ASN A 18 -3.333 -4.949 0.736 1.00 0.00 C ATOM 258 CG ASN A 18 -4.367 -3.984 1.287 1.00 0.00 C ATOM 259 OD1 ASN A 18 -5.003 -4.225 2.307 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.568 -2.860 0.639 1.00 0.00 N ATOM 0 H ASN A 18 -1.935 -6.606 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.565 -6.745 0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.682 -5.277 1.547 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.705 -4.427 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.253 -2.188 0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.039 -2.659 -0.210 1.00 0.00 H new ATOM 267 N TYR A 19 -4.491 -5.800 -2.329 1.00 0.00 N ATOM 268 CA TYR A 19 -5.250 -5.407 -3.519 1.00 0.00 C ATOM 269 C TYR A 19 -5.722 -6.596 -4.376 1.00 0.00 C ATOM 270 O TYR A 19 -6.463 -6.390 -5.341 1.00 0.00 O ATOM 271 CB TYR A 19 -4.425 -4.391 -4.321 1.00 0.00 C ATOM 272 CG TYR A 19 -4.135 -3.114 -3.561 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.042 -3.055 -2.675 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.951 -1.980 -3.740 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.778 -1.880 -1.946 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.695 -0.802 -3.011 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.613 -0.753 -2.105 1.00 0.00 C ATOM 278 OH TYR A 19 -3.357 0.381 -1.396 1.00 0.00 O ATOM 0 H TYR A 19 -3.544 -6.104 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.177 -4.938 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.482 -4.852 -4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.959 -4.145 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.402 -3.917 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.775 -2.014 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.939 -1.841 -1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.326 0.064 -3.145 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.023 1.064 -1.620 1.00 0.00 H new ATOM 288 N CYS A 20 -5.349 -7.837 -4.026 1.00 0.00 N ATOM 289 CA CYS A 20 -5.918 -9.048 -4.633 1.00 0.00 C ATOM 290 C CYS A 20 -7.384 -9.258 -4.196 1.00 0.00 C ATOM 291 O CYS A 20 -7.757 -8.942 -3.060 1.00 0.00 O ATOM 292 CB CYS A 20 -5.076 -10.291 -4.285 1.00 0.00 C ATOM 293 SG CYS A 20 -3.347 -10.315 -4.833 1.00 0.00 S ATOM 0 H CYS A 20 -4.644 -8.028 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.899 -8.909 -5.714 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.087 -10.411 -3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.574 -11.163 -4.708 1.00 0.00 H new ATOM 298 N ASN A 21 -8.207 -9.827 -5.084 1.00 0.00 N ATOM 299 CA ASN A 21 -9.592 -10.260 -4.823 1.00 0.00 C ATOM 300 C ASN A 21 -9.665 -11.758 -4.491 1.00 0.00 C ATOM 301 O ASN A 21 -10.399 -12.139 -3.554 1.00 0.00 O ATOM 302 CB ASN A 21 -10.484 -9.871 -6.021 1.00 0.00 C ATOM 303 CG ASN A 21 -10.687 -8.369 -6.184 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.153 -7.726 -7.075 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.477 -7.768 -5.324 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.990 -12.569 -5.158 1.00 0.00 O ATOM 0 H ASN A 21 -7.918 -10.008 -6.045 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.968 -9.745 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.041 -10.268 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.457 -10.348 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.645 -6.765 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.923 -8.305 -4.580 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.085 -11.980 -7.614 1.00 0.00 N ATOM 315 CA PHE B 1 9.295 -10.737 -7.398 1.00 0.00 C ATOM 316 C PHE B 1 10.141 -9.489 -7.708 1.00 0.00 C ATOM 317 O PHE B 1 11.371 -9.566 -7.709 1.00 0.00 O ATOM 318 CB PHE B 1 8.699 -10.701 -5.972 1.00 0.00 C ATOM 319 CG PHE B 1 7.805 -9.506 -5.705 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.627 -9.329 -6.455 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.182 -8.544 -4.749 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.851 -8.171 -6.276 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.390 -7.401 -4.554 1.00 0.00 C ATOM 324 CZ PHE B 1 6.228 -7.211 -5.321 1.00 0.00 C ATOM 0 H1 PHE B 1 9.690 -12.507 -8.419 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.075 -11.732 -7.814 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.042 -12.571 -6.760 1.00 0.00 H new ATOM 0 HA PHE B 1 8.456 -10.736 -8.094 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.127 -11.614 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.515 -10.700 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.320 -10.081 -7.166 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.080 -8.685 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.964 -8.019 -6.873 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.674 -6.667 -3.814 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.624 -6.327 -5.177 1.00 0.00 H new ATOM 336 N VAL B 2 9.503 -8.343 -7.990 1.00 0.00 N ATOM 337 CA VAL B 2 10.156 -7.046 -8.282 1.00 0.00 C ATOM 338 C VAL B 2 9.619 -5.927 -7.387 1.00 0.00 C ATOM 339 O VAL B 2 8.413 -5.805 -7.171 1.00 0.00 O ATOM 340 CB VAL B 2 10.047 -6.645 -9.766 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.900 -7.566 -10.646 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.615 -6.641 -10.318 1.00 0.00 C ATOM 0 H VAL B 2 8.485 -8.286 -8.024 1.00 0.00 H new ATOM 0 HA VAL B 2 11.214 -7.188 -8.060 1.00 0.00 H new ATOM 0 HB VAL B 2 10.413 -5.619 -9.801 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.806 -7.262 -11.689 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.944 -7.497 -10.340 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.557 -8.595 -10.535 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.631 -6.348 -11.368 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.187 -7.639 -10.226 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.009 -5.933 -9.752 1.00 0.00 H new ATOM 352 N ASN B 3 10.529 -5.097 -6.880 1.00 0.00 N ATOM 353 CA ASN B 3 10.245 -4.016 -5.927 1.00 0.00 C ATOM 354 C ASN B 3 11.260 -2.865 -6.097 1.00 0.00 C ATOM 355 O ASN B 3 12.092 -2.618 -5.224 1.00 0.00 O ATOM 356 CB ASN B 3 10.165 -4.603 -4.498 1.00 0.00 C ATOM 357 CG ASN B 3 11.262 -5.589 -4.141 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.039 -6.781 -3.971 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.485 -5.136 -4.018 1.00 0.00 N ATOM 0 H ASN B 3 11.517 -5.157 -7.127 1.00 0.00 H new ATOM 0 HA ASN B 3 9.273 -3.566 -6.128 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.191 -3.781 -3.783 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.201 -5.098 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.244 -5.775 -3.782 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.678 -4.144 -4.158 1.00 0.00 H new ATOM 366 N GLN B 4 11.221 -2.200 -7.259 1.00 0.00 N ATOM 367 CA GLN B 4 12.166 -1.136 -7.645 1.00 0.00 C ATOM 368 C GLN B 4 11.570 0.285 -7.725 1.00 0.00 C ATOM 369 O GLN B 4 12.104 1.207 -7.115 1.00 0.00 O ATOM 370 CB GLN B 4 12.943 -1.562 -8.904 1.00 0.00 C ATOM 371 CG GLN B 4 12.099 -1.822 -10.165 1.00 0.00 C ATOM 372 CD GLN B 4 12.949 -2.393 -11.298 1.00 0.00 C ATOM 373 OE1 GLN B 4 12.977 -3.592 -11.543 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.680 -1.574 -12.021 1.00 0.00 N ATOM 0 H GLN B 4 10.518 -2.388 -7.974 1.00 0.00 H new ATOM 0 HA GLN B 4 12.873 -1.031 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN B 4 13.674 -0.787 -9.134 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.502 -2.469 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.293 -2.516 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.633 -0.892 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.666 -0.573 -11.828 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.261 -1.940 -12.775 1.00 0.00 H new ATOM 383 N HIS B 5 10.490 0.468 -8.491 1.00 0.00 N ATOM 384 CA HIS B 5 9.780 1.742 -8.746 1.00 0.00 C ATOM 385 C HIS B 5 8.552 1.506 -9.663 1.00 0.00 C ATOM 386 O HIS B 5 8.403 2.122 -10.722 1.00 0.00 O ATOM 387 CB HIS B 5 10.747 2.776 -9.361 1.00 0.00 C ATOM 388 CG HIS B 5 11.605 2.251 -10.487 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.191 2.014 -11.776 1.00 0.00 N ATOM 390 CD2 HIS B 5 12.921 1.890 -10.406 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.234 1.524 -12.466 1.00 0.00 C ATOM 392 NE2 HIS B 5 13.313 1.421 -11.667 1.00 0.00 N ATOM 0 H HIS B 5 10.055 -0.312 -8.983 1.00 0.00 H new ATOM 0 HA HIS B 5 9.416 2.139 -7.798 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.166 3.621 -9.730 1.00 0.00 H new ATOM 0 HB3 HIS B 5 11.398 3.156 -8.574 1.00 0.00 H new ATOM 0 HD1 HIS B 5 10.255 2.181 -12.144 1.00 0.00 H new ATOM 0 HD2 HIS B 5 13.546 1.955 -9.528 1.00 0.00 H new ATOM 0 HE1 HIS B 5 12.211 1.252 -13.511 1.00 0.00 H new ATOM 400 N LEU B 6 7.693 0.546 -9.311 1.00 0.00 N ATOM 401 CA LEU B 6 6.621 0.070 -10.193 1.00 0.00 C ATOM 402 C LEU B 6 5.482 1.101 -10.305 1.00 0.00 C ATOM 403 O LEU B 6 4.841 1.449 -9.314 1.00 0.00 O ATOM 404 CB LEU B 6 6.095 -1.310 -9.742 1.00 0.00 C ATOM 405 CG LEU B 6 7.072 -2.504 -9.724 1.00 0.00 C ATOM 406 CD1 LEU B 6 8.080 -2.515 -10.873 1.00 0.00 C ATOM 407 CD2 LEU B 6 7.830 -2.612 -8.404 1.00 0.00 C ATOM 0 H LEU B 6 7.720 0.076 -8.406 1.00 0.00 H new ATOM 0 HA LEU B 6 7.046 -0.051 -11.190 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.692 -1.197 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.261 -1.575 -10.392 1.00 0.00 H new ATOM 0 HG LEU B 6 6.422 -3.370 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU B 6 8.726 -3.388 -10.782 1.00 0.00 H new ATOM 0 HD12 LEU B 6 7.548 -2.555 -11.823 1.00 0.00 H new ATOM 0 HD13 LEU B 6 8.686 -1.610 -10.834 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.505 -3.467 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.407 -1.702 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU B 6 7.121 -2.744 -7.587 1.00 0.00 H new ATOM 419 N CYS B 7 5.218 1.570 -11.528 1.00 0.00 N ATOM 420 CA CYS B 7 4.249 2.627 -11.827 1.00 0.00 C ATOM 421 C CYS B 7 3.430 2.302 -13.087 1.00 0.00 C ATOM 422 O CYS B 7 3.968 1.740 -14.045 1.00 0.00 O ATOM 423 CB CYS B 7 5.014 3.949 -11.996 1.00 0.00 C ATOM 424 SG CYS B 7 4.159 5.414 -11.363 1.00 0.00 S ATOM 0 H CYS B 7 5.687 1.214 -12.361 1.00 0.00 H new ATOM 0 HA CYS B 7 3.538 2.709 -11.005 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.976 3.862 -11.491 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.222 4.098 -13.055 1.00 0.00 H new ATOM 429 N GLY B 8 2.140 2.658 -13.097 1.00 0.00 N ATOM 430 CA GLY B 8 1.239 2.430 -14.234 1.00 0.00 C ATOM 431 C GLY B 8 1.174 0.953 -14.641 1.00 0.00 C ATOM 432 O GLY B 8 0.918 0.078 -13.809 1.00 0.00 O ATOM 0 H GLY B 8 1.687 3.118 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.238 2.778 -13.977 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.574 3.024 -15.084 1.00 0.00 H new ATOM 436 N SER B 9 1.477 0.664 -15.912 1.00 0.00 N ATOM 437 CA SER B 9 1.559 -0.697 -16.470 1.00 0.00 C ATOM 438 C SER B 9 2.473 -1.630 -15.663 1.00 0.00 C ATOM 439 O SER B 9 2.186 -2.818 -15.530 1.00 0.00 O ATOM 440 CB SER B 9 2.079 -0.637 -17.913 1.00 0.00 C ATOM 441 OG SER B 9 1.285 0.253 -18.688 1.00 0.00 O ATOM 0 H SER B 9 1.678 1.388 -16.602 1.00 0.00 H new ATOM 0 HA SER B 9 0.549 -1.105 -16.429 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.118 -0.307 -17.919 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.058 -1.633 -18.356 1.00 0.00 H new ATOM 0 HG SER B 9 1.628 0.283 -19.605 1.00 0.00 H new ATOM 447 N HIS B 10 3.547 -1.102 -15.070 1.00 0.00 N ATOM 448 CA HIS B 10 4.516 -1.878 -14.283 1.00 0.00 C ATOM 449 C HIS B 10 3.990 -2.225 -12.878 1.00 0.00 C ATOM 450 O HIS B 10 4.354 -3.262 -12.321 1.00 0.00 O ATOM 451 CB HIS B 10 5.833 -1.101 -14.190 1.00 0.00 C ATOM 452 CG HIS B 10 6.297 -0.549 -15.511 1.00 0.00 C ATOM 453 ND1 HIS B 10 6.056 0.721 -15.984 1.00 0.00 N ATOM 454 CD2 HIS B 10 6.959 -1.236 -16.494 1.00 0.00 C ATOM 455 CE1 HIS B 10 6.573 0.806 -17.223 1.00 0.00 C ATOM 456 NE2 HIS B 10 7.137 -0.365 -17.580 1.00 0.00 N ATOM 0 H HIS B 10 3.773 -0.109 -15.122 1.00 0.00 H new ATOM 0 HA HIS B 10 4.681 -2.826 -14.795 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.712 -0.280 -13.484 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.605 -1.757 -13.787 1.00 0.00 H new ATOM 0 HD1 HIS B 10 5.571 1.466 -15.484 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.286 -2.264 -16.443 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.541 1.689 -17.844 1.00 0.00 H new ATOM 464 N LEU B 11 3.113 -1.385 -12.317 1.00 0.00 N ATOM 465 CA LEU B 11 2.430 -1.656 -11.050 1.00 0.00 C ATOM 466 C LEU B 11 1.432 -2.799 -11.236 1.00 0.00 C ATOM 467 O LEU B 11 1.490 -3.786 -10.504 1.00 0.00 O ATOM 468 CB LEU B 11 1.796 -0.350 -10.521 1.00 0.00 C ATOM 469 CG LEU B 11 1.123 -0.390 -9.135 1.00 0.00 C ATOM 470 CD1 LEU B 11 -0.169 -1.204 -9.122 1.00 0.00 C ATOM 471 CD2 LEU B 11 2.052 -0.919 -8.041 1.00 0.00 C ATOM 0 H LEU B 11 2.856 -0.490 -12.734 1.00 0.00 H new ATOM 0 HA LEU B 11 3.135 -1.990 -10.289 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.574 0.413 -10.494 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.051 -0.021 -11.246 1.00 0.00 H new ATOM 0 HG LEU B 11 0.881 0.651 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.595 -1.194 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.881 -0.768 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.045 -2.232 -9.415 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.525 -0.925 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.365 -1.933 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.929 -0.277 -7.967 1.00 0.00 H new ATOM 483 N VAL B 12 0.565 -2.723 -12.250 1.00 0.00 N ATOM 484 CA VAL B 12 -0.424 -3.785 -12.500 1.00 0.00 C ATOM 485 C VAL B 12 0.215 -5.104 -12.945 1.00 0.00 C ATOM 486 O VAL B 12 -0.287 -6.167 -12.586 1.00 0.00 O ATOM 487 CB VAL B 12 -1.534 -3.360 -13.464 1.00 0.00 C ATOM 488 CG1 VAL B 12 -2.410 -2.266 -12.835 1.00 0.00 C ATOM 489 CG2 VAL B 12 -1.050 -2.866 -14.827 1.00 0.00 C ATOM 0 H VAL B 12 0.525 -1.945 -12.908 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.893 -3.963 -11.532 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.102 -4.273 -13.642 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.193 -1.978 -13.537 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.865 -2.645 -11.920 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.795 -1.397 -12.601 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.908 -2.588 -15.439 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.405 -1.998 -14.691 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.491 -3.659 -15.324 1.00 0.00 H new ATOM 499 N GLU B 13 1.359 -5.058 -13.631 1.00 0.00 N ATOM 500 CA GLU B 13 2.179 -6.241 -13.922 1.00 0.00 C ATOM 501 C GLU B 13 2.682 -6.916 -12.629 1.00 0.00 C ATOM 502 O GLU B 13 2.650 -8.144 -12.525 1.00 0.00 O ATOM 503 CB GLU B 13 3.359 -5.834 -14.826 1.00 0.00 C ATOM 504 CG GLU B 13 4.285 -6.993 -15.225 1.00 0.00 C ATOM 505 CD GLU B 13 3.587 -8.114 -16.026 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.687 -7.820 -16.852 1.00 0.00 O ATOM 507 OE2 GLU B 13 3.968 -9.298 -15.869 1.00 0.00 O ATOM 0 H GLU B 13 1.748 -4.192 -14.004 1.00 0.00 H new ATOM 0 HA GLU B 13 1.562 -6.973 -14.443 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.964 -5.373 -15.731 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.949 -5.075 -14.312 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.109 -6.597 -15.818 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.720 -7.423 -14.323 1.00 0.00 H new ATOM 514 N ALA B 14 3.082 -6.135 -11.618 1.00 0.00 N ATOM 515 CA ALA B 14 3.497 -6.666 -10.316 1.00 0.00 C ATOM 516 C ALA B 14 2.305 -7.186 -9.497 1.00 0.00 C ATOM 517 O ALA B 14 2.414 -8.209 -8.818 1.00 0.00 O ATOM 518 CB ALA B 14 4.266 -5.584 -9.556 1.00 0.00 C ATOM 0 H ALA B 14 3.127 -5.118 -11.681 1.00 0.00 H new ATOM 0 HA ALA B 14 4.149 -7.524 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.578 -5.972 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.146 -5.292 -10.130 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.623 -4.716 -9.410 1.00 0.00 H new ATOM 524 N LEU B 15 1.146 -6.530 -9.607 1.00 0.00 N ATOM 525 CA LEU B 15 -0.097 -6.966 -8.977 1.00 0.00 C ATOM 526 C LEU B 15 -0.561 -8.321 -9.543 1.00 0.00 C ATOM 527 O LEU B 15 -0.847 -9.250 -8.789 1.00 0.00 O ATOM 528 CB LEU B 15 -1.172 -5.863 -9.146 1.00 0.00 C ATOM 529 CG LEU B 15 -1.945 -5.482 -7.871 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.419 -6.701 -7.089 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.091 -4.618 -6.950 1.00 0.00 C ATOM 0 H LEU B 15 1.047 -5.669 -10.145 1.00 0.00 H new ATOM 0 HA LEU B 15 0.072 -7.119 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.689 -4.968 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.889 -6.192 -9.898 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.819 -4.923 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.958 -6.375 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.080 -7.300 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.558 -7.300 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.662 -4.363 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.195 -5.168 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.805 -3.704 -7.470 1.00 0.00 H new ATOM 543 N TYR B 16 -0.527 -8.472 -10.869 1.00 0.00 N ATOM 544 CA TYR B 16 -0.795 -9.734 -11.565 1.00 0.00 C ATOM 545 C TYR B 16 0.193 -10.843 -11.167 1.00 0.00 C ATOM 546 O TYR B 16 -0.216 -11.981 -10.939 1.00 0.00 O ATOM 547 CB TYR B 16 -0.747 -9.485 -13.081 1.00 0.00 C ATOM 548 CG TYR B 16 -0.928 -10.736 -13.920 1.00 0.00 C ATOM 549 CD1 TYR B 16 -2.192 -11.351 -14.001 1.00 0.00 C ATOM 550 CD2 TYR B 16 0.171 -11.300 -14.597 1.00 0.00 C ATOM 551 CE1 TYR B 16 -2.361 -12.527 -14.757 1.00 0.00 C ATOM 552 CE2 TYR B 16 0.007 -12.476 -15.356 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.260 -13.095 -15.437 1.00 0.00 C ATOM 554 OH TYR B 16 -1.412 -14.230 -16.174 1.00 0.00 O ATOM 0 H TYR B 16 -0.308 -7.704 -11.503 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.785 -10.083 -11.273 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.524 -8.768 -13.345 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.209 -9.027 -13.333 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.035 -10.919 -13.482 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.141 -10.830 -14.534 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.332 -12.995 -14.817 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.851 -12.904 -15.876 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.552 -14.479 -16.573 1.00 0.00 H new ATOM 564 N LEU B 17 1.480 -10.510 -11.008 1.00 0.00 N ATOM 565 CA LEU B 17 2.524 -11.459 -10.595 1.00 0.00 C ATOM 566 C LEU B 17 2.285 -12.004 -9.173 1.00 0.00 C ATOM 567 O LEU B 17 2.638 -13.149 -8.888 1.00 0.00 O ATOM 568 CB LEU B 17 3.888 -10.749 -10.731 1.00 0.00 C ATOM 569 CG LEU B 17 5.124 -11.592 -10.373 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.278 -12.813 -11.280 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.380 -10.730 -10.502 1.00 0.00 C ATOM 0 H LEU B 17 1.830 -9.565 -11.164 1.00 0.00 H new ATOM 0 HA LEU B 17 2.503 -12.337 -11.241 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.994 -10.402 -11.759 1.00 0.00 H new ATOM 0 HB3 LEU B 17 3.880 -9.864 -10.095 1.00 0.00 H new ATOM 0 HG LEU B 17 4.990 -11.944 -9.350 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.165 -13.375 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.398 -13.449 -11.186 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.381 -12.487 -12.315 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.257 -11.325 -10.249 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.470 -10.369 -11.527 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.310 -9.880 -9.823 1.00 0.00 H new ATOM 583 N VAL B 18 1.641 -11.218 -8.301 1.00 0.00 N ATOM 584 CA VAL B 18 1.310 -11.599 -6.920 1.00 0.00 C ATOM 585 C VAL B 18 -0.021 -12.357 -6.824 1.00 0.00 C ATOM 586 O VAL B 18 -0.069 -13.403 -6.175 1.00 0.00 O ATOM 587 CB VAL B 18 1.354 -10.356 -6.012 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.785 -10.600 -4.611 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.819 -9.929 -5.846 1.00 0.00 C ATOM 0 H VAL B 18 1.328 -10.277 -8.541 1.00 0.00 H new ATOM 0 HA VAL B 18 2.064 -12.303 -6.567 1.00 0.00 H new ATOM 0 HB VAL B 18 0.740 -9.594 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL B 18 0.849 -9.682 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.258 -10.908 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.359 -11.384 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.871 -9.049 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.386 -10.742 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.242 -9.692 -6.822 1.00 0.00 H new ATOM 599 N CYS B 19 -1.089 -11.894 -7.483 1.00 0.00 N ATOM 600 CA CYS B 19 -2.409 -12.540 -7.403 1.00 0.00 C ATOM 601 C CYS B 19 -2.543 -13.786 -8.306 1.00 0.00 C ATOM 602 O CYS B 19 -3.400 -14.640 -8.061 1.00 0.00 O ATOM 603 CB CYS B 19 -3.515 -11.520 -7.698 1.00 0.00 C ATOM 604 SG CYS B 19 -3.402 -9.933 -6.829 1.00 0.00 S ATOM 0 H CYS B 19 -1.067 -11.069 -8.082 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.518 -12.905 -6.382 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.520 -11.323 -8.770 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.474 -11.976 -7.453 1.00 0.00 H new ATOM 609 N GLY B 20 -1.697 -13.930 -9.334 1.00 0.00 N ATOM 610 CA GLY B 20 -1.676 -15.087 -10.234 1.00 0.00 C ATOM 611 C GLY B 20 -2.975 -15.227 -11.038 1.00 0.00 C ATOM 612 O GLY B 20 -3.334 -14.343 -11.817 1.00 0.00 O ATOM 0 H GLY B 20 -0.993 -13.229 -9.567 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -0.835 -14.994 -10.921 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.513 -15.994 -9.652 1.00 0.00 H new ATOM 616 N GLU B 21 -3.696 -16.333 -10.837 1.00 0.00 N ATOM 617 CA GLU B 21 -4.998 -16.589 -11.473 1.00 0.00 C ATOM 618 C GLU B 21 -6.160 -15.785 -10.855 1.00 0.00 C ATOM 619 O GLU B 21 -7.244 -15.726 -11.446 1.00 0.00 O ATOM 620 CB GLU B 21 -5.310 -18.097 -11.447 1.00 0.00 C ATOM 621 CG GLU B 21 -4.306 -18.926 -12.262 1.00 0.00 C ATOM 622 CD GLU B 21 -4.725 -20.408 -12.317 1.00 0.00 C ATOM 623 OE1 GLU B 21 -4.366 -21.180 -11.395 1.00 0.00 O ATOM 624 OE2 GLU B 21 -5.415 -20.815 -13.286 1.00 0.00 O ATOM 0 H GLU B 21 -3.391 -17.087 -10.221 1.00 0.00 H new ATOM 0 HA GLU B 21 -4.912 -16.245 -12.504 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.309 -18.446 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.314 -18.263 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.237 -18.527 -13.274 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.314 -18.842 -11.817 1.00 0.00 H new ATOM 631 N ARG B 22 -5.955 -15.146 -9.692 1.00 0.00 N ATOM 632 CA ARG B 22 -6.953 -14.293 -9.015 1.00 0.00 C ATOM 633 C ARG B 22 -6.913 -12.848 -9.523 1.00 0.00 C ATOM 634 O ARG B 22 -5.862 -12.344 -9.928 1.00 0.00 O ATOM 635 CB ARG B 22 -6.773 -14.339 -7.487 1.00 0.00 C ATOM 636 CG ARG B 22 -6.933 -15.754 -6.905 1.00 0.00 C ATOM 637 CD ARG B 22 -6.814 -15.773 -5.373 1.00 0.00 C ATOM 638 NE ARG B 22 -7.971 -15.124 -4.717 1.00 0.00 N ATOM 639 CZ ARG B 22 -8.780 -15.623 -3.802 1.00 0.00 C ATOM 640 NH1 ARG B 22 -8.667 -16.836 -3.339 1.00 0.00 N ATOM 641 NH2 ARG B 22 -9.739 -14.889 -3.318 1.00 0.00 N ATOM 0 H ARG B 22 -5.073 -15.207 -9.183 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.936 -14.696 -9.259 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.785 -13.957 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.502 -13.676 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.903 -16.157 -7.197 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.174 -16.409 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -6.734 -16.804 -5.029 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.897 -15.265 -5.075 1.00 0.00 H new ATOM 0 HE ARG B 22 -8.169 -14.167 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.927 -17.447 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -9.319 -17.174 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -9.863 -13.931 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.366 -15.271 -2.611 1.00 0.00 H new ATOM 655 N GLY B 23 -8.066 -12.176 -9.484 1.00 0.00 N ATOM 656 CA GLY B 23 -8.211 -10.765 -9.857 1.00 0.00 C ATOM 657 C GLY B 23 -7.602 -9.791 -8.839 1.00 0.00 C ATOM 658 O GLY B 23 -7.174 -10.183 -7.750 1.00 0.00 O ATOM 0 H GLY B 23 -8.942 -12.605 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.740 -10.605 -10.827 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.270 -10.537 -9.976 1.00 0.00 H new ATOM 662 N PHE B 24 -7.583 -8.505 -9.190 1.00 0.00 N ATOM 663 CA PHE B 24 -7.163 -7.402 -8.317 1.00 0.00 C ATOM 664 C PHE B 24 -7.864 -6.083 -8.672 1.00 0.00 C ATOM 665 O PHE B 24 -8.417 -5.933 -9.767 1.00 0.00 O ATOM 666 CB PHE B 24 -5.639 -7.240 -8.371 1.00 0.00 C ATOM 667 CG PHE B 24 -5.045 -6.967 -9.738 1.00 0.00 C ATOM 668 CD1 PHE B 24 -4.947 -5.646 -10.221 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.575 -8.035 -10.525 1.00 0.00 C ATOM 670 CE1 PHE B 24 -4.393 -5.400 -11.489 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.024 -7.786 -11.792 1.00 0.00 C ATOM 672 CZ PHE B 24 -3.926 -6.469 -12.272 1.00 0.00 C ATOM 0 H PHE B 24 -7.868 -8.190 -10.117 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.460 -7.654 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.357 -6.424 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.183 -8.147 -7.974 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.298 -4.823 -9.616 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.638 -9.047 -10.154 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.326 -4.389 -11.862 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.675 -8.608 -12.399 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.492 -6.279 -13.242 1.00 0.00 H new ATOM 682 N PHE B 25 -7.794 -5.105 -7.763 1.00 0.00 N ATOM 683 CA PHE B 25 -8.267 -3.734 -7.972 1.00 0.00 C ATOM 684 C PHE B 25 -7.123 -2.707 -7.936 1.00 0.00 C ATOM 685 O PHE B 25 -6.124 -2.881 -7.236 1.00 0.00 O ATOM 686 CB PHE B 25 -9.407 -3.403 -6.993 1.00 0.00 C ATOM 687 CG PHE B 25 -9.062 -3.458 -5.513 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.146 -4.678 -4.816 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.691 -2.288 -4.822 1.00 0.00 C ATOM 690 CE1 PHE B 25 -8.869 -4.732 -3.439 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.410 -2.341 -3.442 1.00 0.00 C ATOM 692 CZ PHE B 25 -8.505 -3.562 -2.751 1.00 0.00 C ATOM 0 H PHE B 25 -7.395 -5.250 -6.835 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.676 -3.668 -8.980 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.774 -2.403 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.229 -4.095 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.425 -5.579 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.622 -1.349 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.936 -5.671 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.122 -1.444 -2.915 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.298 -3.601 -1.692 1.00 0.00 H new ATOM 702 N TYR B 26 -7.272 -1.629 -8.710 1.00 0.00 N ATOM 703 CA TYR B 26 -6.289 -0.561 -8.921 1.00 0.00 C ATOM 704 C TYR B 26 -6.975 0.827 -8.934 1.00 0.00 C ATOM 705 O TYR B 26 -8.204 0.922 -8.921 1.00 0.00 O ATOM 706 CB TYR B 26 -5.551 -0.883 -10.233 1.00 0.00 C ATOM 707 CG TYR B 26 -4.502 0.125 -10.661 1.00 0.00 C ATOM 708 CD1 TYR B 26 -3.368 0.332 -9.859 1.00 0.00 C ATOM 709 CD2 TYR B 26 -4.680 0.874 -11.840 1.00 0.00 C ATOM 710 CE1 TYR B 26 -2.410 1.300 -10.228 1.00 0.00 C ATOM 711 CE2 TYR B 26 -3.722 1.834 -12.218 1.00 0.00 C ATOM 712 CZ TYR B 26 -2.582 2.050 -11.411 1.00 0.00 C ATOM 713 OH TYR B 26 -1.645 2.971 -11.768 1.00 0.00 O ATOM 0 H TYR B 26 -8.131 -1.468 -9.237 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.568 -0.515 -8.105 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.072 -1.857 -10.130 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.288 -0.974 -11.031 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.229 -0.250 -8.960 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.553 0.712 -12.455 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -1.544 1.467 -9.604 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.858 2.405 -13.124 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.912 3.400 -12.608 1.00 0.00 H new ATOM 723 N THR B 27 -6.201 1.919 -8.949 1.00 0.00 N ATOM 724 CA THR B 27 -6.701 3.309 -8.863 1.00 0.00 C ATOM 725 C THR B 27 -7.432 3.813 -10.115 1.00 0.00 C ATOM 726 O THR B 27 -8.108 4.844 -10.053 1.00 0.00 O ATOM 727 CB THR B 27 -5.558 4.286 -8.530 1.00 0.00 C ATOM 728 OG1 THR B 27 -4.486 4.107 -9.431 1.00 0.00 O ATOM 729 CG2 THR B 27 -5.014 4.064 -7.116 1.00 0.00 C ATOM 0 H THR B 27 -5.185 1.866 -9.023 1.00 0.00 H new ATOM 0 HA THR B 27 -7.438 3.280 -8.060 1.00 0.00 H new ATOM 0 HB THR B 27 -5.971 5.292 -8.607 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.766 4.734 -9.211 1.00 0.00 H new ATOM 0 HG21 THR B 27 -4.209 4.773 -6.920 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.814 4.214 -6.391 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.631 3.047 -7.029 1.00 0.00 H new ATOM 737 N LYS B 28 -7.355 3.080 -11.233 1.00 0.00 N ATOM 738 CA LYS B 28 -8.073 3.345 -12.492 1.00 0.00 C ATOM 739 C LYS B 28 -8.685 2.064 -13.087 1.00 0.00 C ATOM 740 O LYS B 28 -8.096 0.994 -12.916 1.00 0.00 O ATOM 741 CB LYS B 28 -7.124 3.960 -13.535 1.00 0.00 C ATOM 742 CG LYS B 28 -6.512 5.311 -13.128 1.00 0.00 C ATOM 743 CD LYS B 28 -5.859 6.007 -14.329 1.00 0.00 C ATOM 744 CE LYS B 28 -4.648 5.240 -14.880 1.00 0.00 C ATOM 745 NZ LYS B 28 -4.596 5.289 -16.363 1.00 0.00 N ATOM 0 H LYS B 28 -6.766 2.249 -11.290 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.877 4.041 -12.253 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.316 3.255 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.669 4.090 -14.470 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.287 5.953 -12.709 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -5.769 5.156 -12.346 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.599 6.124 -15.121 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.545 7.009 -14.035 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -3.731 5.663 -14.469 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.694 4.202 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -3.691 4.895 -16.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -5.380 4.731 -16.757 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.680 6.276 -16.681 1.00 0.00 H new ATOM 759 N PRO B 29 -9.804 2.157 -13.836 1.00 0.00 N ATOM 760 CA PRO B 29 -10.343 1.046 -14.623 1.00 0.00 C ATOM 761 C PRO B 29 -9.551 0.798 -15.926 1.00 0.00 C ATOM 762 O PRO B 29 -9.546 -0.327 -16.434 1.00 0.00 O ATOM 763 CB PRO B 29 -11.797 1.450 -14.914 1.00 0.00 C ATOM 764 CG PRO B 29 -11.726 2.975 -15.002 1.00 0.00 C ATOM 765 CD PRO B 29 -10.666 3.328 -13.959 1.00 0.00 C ATOM 0 HA PRO B 29 -10.271 0.103 -14.081 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.159 1.010 -15.843 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.472 1.123 -14.123 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.439 3.309 -15.999 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.686 3.438 -14.775 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.092 4.202 -14.268 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.128 3.572 -13.003 1.00 0.00 H new ATOM 773 N THR B 30 -8.876 1.835 -16.453 1.00 0.00 N ATOM 774 CA THR B 30 -8.046 1.824 -17.678 1.00 0.00 C ATOM 775 C THR B 30 -6.750 2.602 -17.444 1.00 0.00 C ATOM 776 O THR B 30 -5.658 1.997 -17.537 1.00 0.00 O ATOM 777 CB THR B 30 -8.803 2.421 -18.877 1.00 0.00 C ATOM 778 OG1 THR B 30 -10.009 1.716 -19.090 1.00 0.00 O ATOM 779 CG2 THR B 30 -7.993 2.335 -20.175 1.00 0.00 C ATOM 780 OXT THR B 30 -6.821 3.816 -17.150 1.00 0.00 O ATOM 0 H THR B 30 -8.894 2.755 -16.014 1.00 0.00 H new ATOM 0 HA THR B 30 -7.810 0.785 -17.909 1.00 0.00 H new ATOM 0 HB THR B 30 -8.988 3.467 -18.635 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.484 2.104 -19.854 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.569 2.769 -20.993 1.00 0.00 H new ATOM 0 HG22 THR B 30 -7.059 2.884 -20.058 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.775 1.291 -20.399 1.00 0.00 H new TER 788 THR B 30