USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 12 SER OG : rot 180:sc= 0.38 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: B 3 ASN : amide:sc= 0.369 X(o=0.75,f=1.1) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0555 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.47) USER MOD Single : A 8 THR OG1 : rot 137:sc= 0.742 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00486 USER MOD Single : A 15 GLN : amide:sc= 0.362 K(o=0.36,f=-3.4!) USER MOD Single : A 18 ASN : amide:sc= 0.759 K(o=0.76,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.407 K(o=0.41,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ -139:sc= 0.729 (180deg=-0.0379) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 5 HIS : no HD1:sc= -0.0105 K(o=-0.011,f=-1.1) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0.279 K(o=0.28,f=-3.7!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 47:sc= 0.142 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0319 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.601 2.061 2.312 1.00 0.00 N ATOM 2 CA GLY A 1 -10.033 2.129 0.947 1.00 0.00 C ATOM 3 C GLY A 1 -8.536 2.400 0.961 1.00 0.00 C ATOM 4 O GLY A 1 -7.993 2.843 1.973 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.952 1.099 2.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.865 2.299 3.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.387 2.737 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.226 1.190 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.538 2.914 0.384 1.00 0.00 H new ATOM 10 N ILE A 2 -7.870 2.156 -0.173 1.00 0.00 N ATOM 11 CA ILE A 2 -6.425 2.379 -0.428 1.00 0.00 C ATOM 12 C ILE A 2 -6.076 2.190 -1.911 1.00 0.00 C ATOM 13 O ILE A 2 -5.482 3.079 -2.520 1.00 0.00 O ATOM 14 CB ILE A 2 -5.519 1.521 0.502 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.033 1.887 0.279 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.752 0.001 0.373 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.066 1.118 1.184 1.00 0.00 C ATOM 0 H ILE A 2 -8.345 1.775 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.218 3.420 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.801 1.765 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.773 1.695 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.902 2.956 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.084 -0.528 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.786 -0.231 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.551 -0.312 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.043 1.428 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.298 1.329 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.167 0.049 0.999 1.00 0.00 H new ATOM 29 N VAL A 3 -6.487 1.073 -2.515 1.00 0.00 N ATOM 30 CA VAL A 3 -6.191 0.713 -3.919 1.00 0.00 C ATOM 31 C VAL A 3 -6.815 1.729 -4.887 1.00 0.00 C ATOM 32 O VAL A 3 -6.239 2.034 -5.929 1.00 0.00 O ATOM 33 CB VAL A 3 -6.692 -0.715 -4.258 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.146 -1.204 -5.611 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.288 -1.742 -3.186 1.00 0.00 C ATOM 0 H VAL A 3 -7.050 0.370 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.107 0.732 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.779 -0.640 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.519 -2.208 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.475 -0.529 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.057 -1.222 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.661 -2.727 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.202 -1.775 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.715 -1.453 -2.226 1.00 0.00 H new ATOM 45 N GLU A 4 -7.952 2.314 -4.498 1.00 0.00 N ATOM 46 CA GLU A 4 -8.665 3.381 -5.202 1.00 0.00 C ATOM 47 C GLU A 4 -7.828 4.669 -5.354 1.00 0.00 C ATOM 48 O GLU A 4 -8.123 5.490 -6.226 1.00 0.00 O ATOM 49 CB GLU A 4 -9.977 3.710 -4.460 1.00 0.00 C ATOM 50 CG GLU A 4 -10.862 2.496 -4.115 1.00 0.00 C ATOM 51 CD GLU A 4 -10.650 1.999 -2.674 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.523 1.564 -2.336 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 -11.602 2.060 -1.863 1.00 0.00 O ATOM 0 H GLU A 4 -8.424 2.040 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.873 3.010 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.731 4.233 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.558 4.400 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.910 2.764 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.647 1.685 -4.810 1.00 0.00 H new ATOM 60 N GLN A 5 -6.782 4.845 -4.537 1.00 0.00 N ATOM 61 CA GLN A 5 -5.788 5.911 -4.670 1.00 0.00 C ATOM 62 C GLN A 5 -4.478 5.346 -5.233 1.00 0.00 C ATOM 63 O GLN A 5 -4.011 5.818 -6.265 1.00 0.00 O ATOM 64 CB GLN A 5 -5.580 6.574 -3.295 1.00 0.00 C ATOM 65 CG GLN A 5 -4.679 7.820 -3.350 1.00 0.00 C ATOM 66 CD GLN A 5 -5.322 8.979 -4.115 1.00 0.00 C ATOM 67 OE1 GLN A 5 -5.072 9.202 -5.293 1.00 0.00 O ATOM 68 NE2 GLN A 5 -6.196 9.747 -3.495 1.00 0.00 N ATOM 0 H GLN A 5 -6.601 4.231 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.140 6.668 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.550 6.853 -2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.141 5.847 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.450 8.143 -2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.732 7.558 -3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.418 9.578 -2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.650 10.510 -3.996 1.00 0.00 H new ATOM 77 N CYS A 6 -3.887 4.323 -4.605 1.00 0.00 N ATOM 78 CA CYS A 6 -2.557 3.806 -4.965 1.00 0.00 C ATOM 79 C CYS A 6 -2.461 3.219 -6.386 1.00 0.00 C ATOM 80 O CYS A 6 -1.410 3.314 -7.015 1.00 0.00 O ATOM 81 CB CYS A 6 -2.148 2.758 -3.926 1.00 0.00 C ATOM 82 SG CYS A 6 -1.572 3.415 -2.340 1.00 0.00 S ATOM 0 H CYS A 6 -4.319 3.825 -3.827 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.874 4.655 -4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.000 2.104 -3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.358 2.139 -4.351 1.00 0.00 H new ATOM 87 N CYS A 7 -3.542 2.652 -6.931 1.00 0.00 N ATOM 88 CA CYS A 7 -3.584 2.166 -8.322 1.00 0.00 C ATOM 89 C CYS A 7 -3.924 3.275 -9.343 1.00 0.00 C ATOM 90 O CYS A 7 -3.752 3.078 -10.550 1.00 0.00 O ATOM 91 CB CYS A 7 -4.584 1.003 -8.405 1.00 0.00 C ATOM 92 SG CYS A 7 -4.270 -0.192 -9.735 1.00 0.00 S ATOM 0 H CYS A 7 -4.416 2.515 -6.423 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.586 1.822 -8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.580 0.472 -7.453 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.585 1.414 -8.536 1.00 0.00 H new ATOM 97 N THR A 8 -4.403 4.433 -8.865 1.00 0.00 N ATOM 98 CA THR A 8 -4.907 5.571 -9.658 1.00 0.00 C ATOM 99 C THR A 8 -3.884 6.704 -9.743 1.00 0.00 C ATOM 100 O THR A 8 -3.786 7.372 -10.770 1.00 0.00 O ATOM 101 CB THR A 8 -6.207 6.083 -9.016 1.00 0.00 C ATOM 102 OG1 THR A 8 -7.102 5.000 -8.882 1.00 0.00 O ATOM 103 CG2 THR A 8 -6.909 7.158 -9.849 1.00 0.00 C ATOM 0 H THR A 8 -4.453 4.613 -7.862 1.00 0.00 H new ATOM 0 HA THR A 8 -5.094 5.228 -10.676 1.00 0.00 H new ATOM 0 HB THR A 8 -5.933 6.523 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.532 5.038 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.819 7.476 -9.340 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.245 8.013 -9.973 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.164 6.751 -10.828 1.00 0.00 H new ATOM 111 N SER A 9 -3.113 6.912 -8.681 1.00 0.00 N ATOM 112 CA SER A 9 -2.088 7.949 -8.545 1.00 0.00 C ATOM 113 C SER A 9 -0.890 7.458 -7.704 1.00 0.00 C ATOM 114 O SER A 9 -0.885 6.340 -7.183 1.00 0.00 O ATOM 115 CB SER A 9 -2.711 9.204 -7.914 1.00 0.00 C ATOM 116 OG SER A 9 -1.898 10.346 -8.163 1.00 0.00 O ATOM 0 H SER A 9 -3.188 6.332 -7.845 1.00 0.00 H new ATOM 0 HA SER A 9 -1.709 8.190 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.709 9.365 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.825 9.059 -6.840 1.00 0.00 H new ATOM 0 HG SER A 9 -2.310 11.136 -7.756 1.00 0.00 H new ATOM 122 N ILE A 10 0.138 8.297 -7.545 1.00 0.00 N ATOM 123 CA ILE A 10 1.328 7.992 -6.732 1.00 0.00 C ATOM 124 C ILE A 10 0.941 7.858 -5.251 1.00 0.00 C ATOM 125 O ILE A 10 0.269 8.740 -4.700 1.00 0.00 O ATOM 126 CB ILE A 10 2.414 9.084 -6.908 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.770 9.390 -8.383 1.00 0.00 C ATOM 128 CG2 ILE A 10 3.687 8.726 -6.110 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.419 8.232 -9.148 1.00 0.00 C ATOM 0 H ILE A 10 0.171 9.219 -7.981 1.00 0.00 H new ATOM 0 HA ILE A 10 1.741 7.044 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 10 1.976 9.999 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.861 9.686 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.445 10.245 -8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.435 9.507 -6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.441 8.643 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.084 7.775 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.630 8.545 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.349 7.947 -8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.740 7.379 -9.162 1.00 0.00 H new ATOM 141 N CYS A 11 1.419 6.804 -4.581 1.00 0.00 N ATOM 142 CA CYS A 11 1.366 6.718 -3.118 1.00 0.00 C ATOM 143 C CYS A 11 2.717 6.315 -2.502 1.00 0.00 C ATOM 144 O CYS A 11 3.348 5.336 -2.903 1.00 0.00 O ATOM 145 CB CYS A 11 0.167 5.876 -2.656 1.00 0.00 C ATOM 146 SG CYS A 11 0.310 4.077 -2.764 1.00 0.00 S ATOM 0 H CYS A 11 1.849 5.996 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 11 1.188 7.718 -2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.043 6.134 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.701 6.179 -3.242 1.00 0.00 H new ATOM 151 N SER A 12 3.177 7.118 -1.545 1.00 0.00 N ATOM 152 CA SER A 12 4.511 7.043 -0.930 1.00 0.00 C ATOM 153 C SER A 12 4.439 6.827 0.592 1.00 0.00 C ATOM 154 O SER A 12 3.359 6.863 1.181 1.00 0.00 O ATOM 155 CB SER A 12 5.247 8.359 -1.224 1.00 0.00 C ATOM 156 OG SER A 12 5.486 8.507 -2.618 1.00 0.00 O ATOM 0 H SER A 12 2.611 7.872 -1.157 1.00 0.00 H new ATOM 0 HA SER A 12 5.040 6.189 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.656 9.200 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.194 8.379 -0.685 1.00 0.00 H new ATOM 0 HG SER A 12 5.954 9.352 -2.782 1.00 0.00 H new ATOM 162 N LEU A 13 5.590 6.635 1.251 1.00 0.00 N ATOM 163 CA LEU A 13 5.725 6.336 2.685 1.00 0.00 C ATOM 164 C LEU A 13 4.798 7.136 3.624 1.00 0.00 C ATOM 165 O LEU A 13 4.125 6.550 4.469 1.00 0.00 O ATOM 166 CB LEU A 13 7.209 6.466 3.098 1.00 0.00 C ATOM 167 CG LEU A 13 7.917 7.791 2.710 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.847 8.266 3.833 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.735 7.649 1.416 1.00 0.00 C ATOM 0 H LEU A 13 6.493 6.686 0.779 1.00 0.00 H new ATOM 0 HA LEU A 13 5.384 5.308 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.275 6.347 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.762 5.639 2.652 1.00 0.00 H new ATOM 0 HG LEU A 13 7.129 8.526 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.331 9.196 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.266 8.433 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.606 7.507 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.213 8.600 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.498 6.882 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.074 7.364 0.597 1.00 0.00 H new ATOM 181 N TYR A 14 4.709 8.455 3.459 1.00 0.00 N ATOM 182 CA TYR A 14 3.889 9.347 4.295 1.00 0.00 C ATOM 183 C TYR A 14 2.369 9.201 4.081 1.00 0.00 C ATOM 184 O TYR A 14 1.587 9.506 4.982 1.00 0.00 O ATOM 185 CB TYR A 14 4.331 10.794 4.033 1.00 0.00 C ATOM 186 CG TYR A 14 4.480 11.167 2.570 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.344 11.495 1.812 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.746 11.121 1.955 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.456 11.731 0.430 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.872 11.376 0.579 1.00 0.00 C ATOM 191 CZ TYR A 14 4.727 11.684 -0.191 1.00 0.00 C ATOM 192 OH TYR A 14 4.849 11.905 -1.531 1.00 0.00 O ATOM 0 H TYR A 14 5.215 8.950 2.725 1.00 0.00 H new ATOM 0 HA TYR A 14 4.056 9.061 5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.607 11.467 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.284 10.963 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.380 11.566 2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.622 10.889 2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.575 11.947 -0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.844 11.337 0.109 1.00 0.00 H new ATOM 0 HH TYR A 14 5.792 11.836 -1.789 1.00 0.00 H new ATOM 202 N GLN A 15 1.945 8.721 2.912 1.00 0.00 N ATOM 203 CA GLN A 15 0.558 8.341 2.619 1.00 0.00 C ATOM 204 C GLN A 15 0.303 6.920 3.140 1.00 0.00 C ATOM 205 O GLN A 15 -0.692 6.692 3.820 1.00 0.00 O ATOM 206 CB GLN A 15 0.350 8.396 1.095 1.00 0.00 C ATOM 207 CG GLN A 15 0.220 9.799 0.487 1.00 0.00 C ATOM 208 CD GLN A 15 0.548 9.750 -1.007 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.702 9.625 -1.395 1.00 0.00 O ATOM 210 NE2 GLN A 15 -0.425 9.750 -1.896 1.00 0.00 N ATOM 0 H GLN A 15 2.572 8.581 2.120 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.138 9.023 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.187 7.889 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.549 7.830 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.792 10.177 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.895 10.489 0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.393 9.853 -1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.210 9.647 -2.888 1.00 0.00 H new ATOM 219 N LEU A 16 1.225 5.985 2.886 1.00 0.00 N ATOM 220 CA LEU A 16 1.148 4.579 3.288 1.00 0.00 C ATOM 221 C LEU A 16 1.099 4.383 4.810 1.00 0.00 C ATOM 222 O LEU A 16 0.436 3.464 5.290 1.00 0.00 O ATOM 223 CB LEU A 16 2.366 3.862 2.689 1.00 0.00 C ATOM 224 CG LEU A 16 2.301 3.619 1.169 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.661 3.081 0.712 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.212 2.614 0.777 1.00 0.00 C ATOM 0 H LEU A 16 2.081 6.198 2.373 1.00 0.00 H new ATOM 0 HA LEU A 16 0.214 4.160 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.258 4.449 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.485 2.901 3.190 1.00 0.00 H new ATOM 0 HG LEU A 16 2.057 4.565 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.639 2.901 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.437 3.811 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.876 2.147 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.212 2.481 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.409 1.657 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.239 2.988 1.097 1.00 0.00 H new ATOM 238 N GLU A 17 1.756 5.255 5.577 1.00 0.00 N ATOM 239 CA GLU A 17 1.748 5.219 7.042 1.00 0.00 C ATOM 240 C GLU A 17 0.330 5.338 7.637 1.00 0.00 C ATOM 241 O GLU A 17 0.056 4.807 8.712 1.00 0.00 O ATOM 242 CB GLU A 17 2.654 6.339 7.572 1.00 0.00 C ATOM 243 CG GLU A 17 3.013 6.140 9.048 1.00 0.00 C ATOM 244 CD GLU A 17 4.009 7.208 9.524 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.574 8.326 9.893 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.233 6.936 9.545 1.00 0.00 O1- ATOM 0 H GLU A 17 2.316 6.016 5.194 1.00 0.00 H new ATOM 0 HA GLU A 17 2.127 4.246 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.568 6.377 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.153 7.299 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.109 6.186 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.443 5.148 9.190 1.00 0.00 H new ATOM 253 N ASN A 18 -0.602 5.974 6.923 1.00 0.00 N ATOM 254 CA ASN A 18 -2.006 6.091 7.343 1.00 0.00 C ATOM 255 C ASN A 18 -2.752 4.742 7.416 1.00 0.00 C ATOM 256 O ASN A 18 -3.798 4.656 8.063 1.00 0.00 O ATOM 257 CB ASN A 18 -2.742 7.058 6.406 1.00 0.00 C ATOM 258 CG ASN A 18 -2.215 8.481 6.518 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.561 9.231 7.425 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.349 8.880 5.609 1.00 0.00 N ATOM 0 H ASN A 18 -0.405 6.426 6.030 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.996 6.479 8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.638 6.714 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.807 7.047 6.639 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.959 9.821 5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.069 8.248 4.859 1.00 0.00 H new ATOM 267 N TYR A 19 -2.221 3.687 6.785 1.00 0.00 N ATOM 268 CA TYR A 19 -2.765 2.320 6.816 1.00 0.00 C ATOM 269 C TYR A 19 -1.905 1.359 7.669 1.00 0.00 C ATOM 270 O TYR A 19 -2.151 0.151 7.704 1.00 0.00 O ATOM 271 CB TYR A 19 -2.950 1.809 5.377 1.00 0.00 C ATOM 272 CG TYR A 19 -3.466 2.849 4.396 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.835 3.168 4.321 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.549 3.532 3.577 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.279 4.168 3.433 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.977 4.535 2.691 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.351 4.856 2.615 1.00 0.00 C ATOM 278 OH TYR A 19 -4.776 5.822 1.752 1.00 0.00 O ATOM 0 H TYR A 19 -1.375 3.762 6.221 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.739 2.350 7.305 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.994 1.430 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.642 0.967 5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.546 2.646 4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.500 3.282 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.330 4.410 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.261 5.057 2.073 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.007 6.191 1.270 1.00 0.00 H new ATOM 288 N CYS A 20 -0.889 1.887 8.365 1.00 0.00 N ATOM 289 CA CYS A 20 -0.032 1.138 9.294 1.00 0.00 C ATOM 290 C CYS A 20 -0.798 0.766 10.578 1.00 0.00 C ATOM 291 O CYS A 20 -1.544 1.587 11.117 1.00 0.00 O ATOM 292 CB CYS A 20 1.214 1.987 9.590 1.00 0.00 C ATOM 293 SG CYS A 20 2.467 1.292 10.702 1.00 0.00 S ATOM 0 H CYS A 20 -0.634 2.872 8.296 1.00 0.00 H new ATOM 0 HA CYS A 20 0.277 0.196 8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.698 2.214 8.640 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.881 2.935 10.012 1.00 0.00 H new ATOM 298 N ASN A 21 -0.611 -0.455 11.096 1.00 0.00 N ATOM 299 CA ASN A 21 -1.220 -0.888 12.365 1.00 0.00 C ATOM 300 C ASN A 21 -0.748 -0.014 13.544 1.00 0.00 C ATOM 301 O ASN A 21 0.444 0.019 13.881 1.00 0.00 O ATOM 302 CB ASN A 21 -0.911 -2.374 12.641 1.00 0.00 C ATOM 303 CG ASN A 21 -1.736 -3.365 11.821 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.729 -3.034 11.181 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.356 -4.629 11.843 1.00 0.00 N ATOM 0 H ASN A 21 -0.036 -1.170 10.651 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.299 -0.768 12.269 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.146 -2.553 12.444 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.076 -2.574 13.700 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.888 -5.330 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.530 -4.904 12.375 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 11.366 0.719 -2.124 1.00 0.00 N ATOM 314 CA PHE B 1 10.501 0.734 -3.303 1.00 0.00 C ATOM 315 C PHE B 1 10.419 2.125 -3.968 1.00 0.00 C ATOM 316 O PHE B 1 10.712 3.149 -3.345 1.00 0.00 O ATOM 317 CB PHE B 1 9.120 0.161 -2.954 1.00 0.00 C ATOM 318 CG PHE B 1 8.369 0.938 -1.895 1.00 0.00 C ATOM 319 CD1 PHE B 1 8.590 0.653 -0.537 1.00 0.00 C ATOM 320 CD2 PHE B 1 7.478 1.961 -2.263 1.00 0.00 C ATOM 321 CE1 PHE B 1 7.923 1.387 0.456 1.00 0.00 C ATOM 322 CE2 PHE B 1 6.813 2.703 -1.269 1.00 0.00 C ATOM 323 CZ PHE B 1 7.041 2.417 0.089 1.00 0.00 C ATOM 0 H1 PHE B 1 11.934 -0.152 -2.121 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.999 1.544 -2.147 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.782 0.755 -1.264 1.00 0.00 H new ATOM 0 HA PHE B 1 10.952 0.088 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.515 0.127 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.242 -0.867 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.275 -0.133 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.304 2.177 -3.307 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.087 1.161 1.499 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.129 3.491 -1.549 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.536 2.991 0.852 1.00 0.00 H new ATOM 333 N VAL B 2 10.017 2.154 -5.242 1.00 0.00 N ATOM 334 CA VAL B 2 9.920 3.371 -6.076 1.00 0.00 C ATOM 335 C VAL B 2 8.586 4.092 -5.840 1.00 0.00 C ATOM 336 O VAL B 2 7.551 3.455 -5.650 1.00 0.00 O ATOM 337 CB VAL B 2 10.095 3.027 -7.578 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.953 4.243 -8.511 1.00 0.00 C ATOM 339 CG2 VAL B 2 11.475 2.391 -7.834 1.00 0.00 C ATOM 0 H VAL B 2 9.740 1.310 -5.743 1.00 0.00 H new ATOM 0 HA VAL B 2 10.727 4.043 -5.783 1.00 0.00 H new ATOM 0 HB VAL B 2 9.290 2.329 -7.807 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.088 3.926 -9.545 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.961 4.680 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.709 4.986 -8.258 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.577 2.157 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.258 3.090 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.568 1.475 -7.250 1.00 0.00 H new ATOM 349 N ASN B 3 8.606 5.426 -5.898 1.00 0.00 N ATOM 350 CA ASN B 3 7.418 6.285 -5.859 1.00 0.00 C ATOM 351 C ASN B 3 6.630 6.159 -7.179 1.00 0.00 C ATOM 352 O ASN B 3 6.989 6.767 -8.191 1.00 0.00 O ATOM 353 CB ASN B 3 7.854 7.734 -5.569 1.00 0.00 C ATOM 354 CG ASN B 3 8.791 7.821 -4.366 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.002 7.954 -4.508 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.276 7.703 -3.157 1.00 0.00 N ATOM 0 H ASN B 3 9.475 5.955 -5.976 1.00 0.00 H new ATOM 0 HA ASN B 3 6.747 5.970 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.352 8.145 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.972 8.348 -5.387 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.885 7.722 -2.339 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.269 7.592 -3.040 1.00 0.00 H new ATOM 363 N GLN B 4 5.573 5.344 -7.181 1.00 0.00 N ATOM 364 CA GLN B 4 4.802 4.977 -8.375 1.00 0.00 C ATOM 365 C GLN B 4 3.372 4.539 -8.007 1.00 0.00 C ATOM 366 O GLN B 4 2.952 4.630 -6.851 1.00 0.00 O ATOM 367 CB GLN B 4 5.582 3.945 -9.224 1.00 0.00 C ATOM 368 CG GLN B 4 5.695 2.543 -8.600 1.00 0.00 C ATOM 369 CD GLN B 4 6.636 1.596 -9.355 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.151 1.878 -10.431 1.00 0.00 O ATOM 371 NE2 GLN B 4 6.899 0.422 -8.816 1.00 0.00 N ATOM 0 H GLN B 4 5.218 4.908 -6.330 1.00 0.00 H new ATOM 0 HA GLN B 4 4.676 5.856 -9.007 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.097 3.856 -10.196 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.586 4.329 -9.403 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.044 2.642 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.702 2.095 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.481 0.167 -7.921 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.520 -0.231 -9.294 1.00 0.00 H new ATOM 380 N HIS B 5 2.607 4.078 -8.998 1.00 0.00 N ATOM 381 CA HIS B 5 1.203 3.671 -8.865 1.00 0.00 C ATOM 382 C HIS B 5 1.075 2.237 -8.293 1.00 0.00 C ATOM 383 O HIS B 5 0.755 1.289 -9.020 1.00 0.00 O ATOM 384 CB HIS B 5 0.521 3.837 -10.238 1.00 0.00 C ATOM 385 CG HIS B 5 0.677 5.206 -10.851 1.00 0.00 C ATOM 386 ND1 HIS B 5 -0.191 6.284 -10.672 1.00 0.00 N ATOM 387 CD2 HIS B 5 1.681 5.588 -11.696 1.00 0.00 C ATOM 388 CE1 HIS B 5 0.317 7.289 -11.403 1.00 0.00 C ATOM 389 NE2 HIS B 5 1.442 6.902 -12.030 1.00 0.00 N ATOM 0 H HIS B 5 2.958 3.973 -9.950 1.00 0.00 H new ATOM 0 HA HIS B 5 0.694 4.309 -8.143 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.930 3.096 -10.925 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.542 3.620 -10.131 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.504 4.977 -12.036 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.119 8.274 -11.477 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.016 7.480 -12.644 1.00 0.00 H new ATOM 397 N LEU B 6 1.406 2.060 -7.004 1.00 0.00 N ATOM 398 CA LEU B 6 1.513 0.757 -6.328 1.00 0.00 C ATOM 399 C LEU B 6 0.208 -0.056 -6.447 1.00 0.00 C ATOM 400 O LEU B 6 -0.846 0.399 -6.003 1.00 0.00 O ATOM 401 CB LEU B 6 1.883 0.944 -4.840 1.00 0.00 C ATOM 402 CG LEU B 6 3.016 1.932 -4.487 1.00 0.00 C ATOM 403 CD1 LEU B 6 3.369 1.759 -3.014 1.00 0.00 C ATOM 404 CD2 LEU B 6 4.280 1.766 -5.338 1.00 0.00 C ATOM 0 H LEU B 6 1.613 2.844 -6.385 1.00 0.00 H new ATOM 0 HA LEU B 6 2.305 0.198 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.985 1.265 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.156 -0.032 -4.440 1.00 0.00 H new ATOM 0 HG LEU B 6 2.641 2.933 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.169 2.450 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.491 1.967 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.700 0.736 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.027 2.497 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.679 0.760 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.035 1.923 -6.388 1.00 0.00 H new ATOM 416 N CYS B 7 0.261 -1.260 -7.032 1.00 0.00 N ATOM 417 CA CYS B 7 -0.951 -2.016 -7.404 1.00 0.00 C ATOM 418 C CYS B 7 -0.672 -3.506 -7.697 1.00 0.00 C ATOM 419 O CYS B 7 -0.369 -4.252 -6.765 1.00 0.00 O ATOM 420 CB CYS B 7 -1.697 -1.261 -8.525 1.00 0.00 C ATOM 421 SG CYS B 7 -3.418 -1.774 -8.768 1.00 0.00 S ATOM 0 H CYS B 7 1.133 -1.737 -7.260 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.621 -2.063 -6.546 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.678 -0.194 -8.301 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.155 -1.400 -9.461 1.00 0.00 H new ATOM 426 N GLY B 8 -0.781 -3.960 -8.954 1.00 0.00 N ATOM 427 CA GLY B 8 -0.585 -5.355 -9.375 1.00 0.00 C ATOM 428 C GLY B 8 0.849 -5.620 -9.853 1.00 0.00 C ATOM 429 O GLY B 8 1.204 -5.187 -10.947 1.00 0.00 O ATOM 0 H GLY B 8 -1.016 -3.345 -9.733 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.818 -6.020 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -1.283 -5.592 -10.178 1.00 0.00 H new ATOM 433 N SER B 9 1.712 -6.334 -9.129 1.00 0.00 N ATOM 434 CA SER B 9 1.591 -6.793 -7.734 1.00 0.00 C ATOM 435 C SER B 9 2.607 -6.054 -6.842 1.00 0.00 C ATOM 436 O SER B 9 3.804 -6.017 -7.141 1.00 0.00 O ATOM 437 CB SER B 9 1.808 -8.310 -7.668 1.00 0.00 C ATOM 438 OG SER B 9 1.483 -8.812 -6.378 1.00 0.00 O ATOM 0 H SER B 9 2.597 -6.636 -9.537 1.00 0.00 H new ATOM 0 HA SER B 9 0.590 -6.569 -7.366 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.192 -8.803 -8.420 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.846 -8.544 -7.903 1.00 0.00 H new ATOM 0 HG SER B 9 1.627 -9.781 -6.358 1.00 0.00 H new ATOM 444 N HIS B 10 2.116 -5.438 -5.761 1.00 0.00 N ATOM 445 CA HIS B 10 2.786 -4.472 -4.887 1.00 0.00 C ATOM 446 C HIS B 10 1.872 -4.079 -3.701 1.00 0.00 C ATOM 447 O HIS B 10 0.944 -4.812 -3.349 1.00 0.00 O ATOM 448 CB HIS B 10 3.253 -3.246 -5.706 1.00 0.00 C ATOM 449 CG HIS B 10 4.536 -2.694 -5.164 1.00 0.00 C ATOM 450 ND1 HIS B 10 4.657 -1.659 -4.240 1.00 0.00 N ATOM 451 CD2 HIS B 10 5.757 -3.251 -5.374 1.00 0.00 C ATOM 452 CE1 HIS B 10 5.969 -1.591 -3.952 1.00 0.00 C ATOM 453 NE2 HIS B 10 6.655 -2.536 -4.617 1.00 0.00 N ATOM 0 H HIS B 10 1.161 -5.618 -5.451 1.00 0.00 H new ATOM 0 HA HIS B 10 3.675 -4.934 -4.458 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.388 -3.531 -6.749 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.483 -2.475 -5.684 1.00 0.00 H new ATOM 0 HD2 HIS B 10 5.980 -4.093 -6.012 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.412 -0.873 -3.277 1.00 0.00 H new ATOM 0 HE2 HIS B 10 7.661 -2.694 -4.569 1.00 0.00 H new ATOM 461 N LEU B 11 2.142 -2.931 -3.064 1.00 0.00 N ATOM 462 CA LEU B 11 1.314 -2.182 -2.105 1.00 0.00 C ATOM 463 C LEU B 11 1.299 -2.834 -0.721 1.00 0.00 C ATOM 464 O LEU B 11 1.628 -2.181 0.258 1.00 0.00 O ATOM 465 CB LEU B 11 -0.092 -1.929 -2.691 1.00 0.00 C ATOM 466 CG LEU B 11 -1.014 -1.060 -1.811 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.376 0.277 -1.420 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.315 -0.812 -2.584 1.00 0.00 C ATOM 0 H LEU B 11 3.031 -2.457 -3.222 1.00 0.00 H new ATOM 0 HA LEU B 11 1.768 -1.204 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.016 -1.449 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.577 -2.890 -2.862 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.202 -1.595 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.071 0.845 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.541 0.093 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.143 0.846 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.985 -0.199 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.091 -0.295 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.795 -1.766 -2.803 1.00 0.00 H new ATOM 480 N VAL B 12 1.030 -4.133 -0.654 1.00 0.00 N ATOM 481 CA VAL B 12 1.223 -4.978 0.537 1.00 0.00 C ATOM 482 C VAL B 12 2.691 -4.962 0.986 1.00 0.00 C ATOM 483 O VAL B 12 2.974 -4.755 2.165 1.00 0.00 O ATOM 484 CB VAL B 12 0.804 -6.428 0.196 1.00 0.00 C ATOM 485 CG1 VAL B 12 1.161 -7.462 1.280 1.00 0.00 C ATOM 486 CG2 VAL B 12 -0.702 -6.521 -0.098 1.00 0.00 C ATOM 0 H VAL B 12 0.659 -4.652 -1.450 1.00 0.00 H new ATOM 0 HA VAL B 12 0.611 -4.588 1.350 1.00 0.00 H new ATOM 0 HB VAL B 12 1.383 -6.677 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.833 -8.451 0.961 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.240 -7.470 1.434 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.663 -7.198 2.213 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.964 -7.553 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.264 -6.195 0.777 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.947 -5.881 -0.946 1.00 0.00 H new ATOM 496 N GLU B 13 3.621 -5.153 0.045 1.00 0.00 N ATOM 497 CA GLU B 13 5.061 -5.098 0.314 1.00 0.00 C ATOM 498 C GLU B 13 5.530 -3.679 0.674 1.00 0.00 C ATOM 499 O GLU B 13 6.328 -3.520 1.596 1.00 0.00 O ATOM 500 CB GLU B 13 5.865 -5.708 -0.850 1.00 0.00 C ATOM 501 CG GLU B 13 5.601 -5.126 -2.244 1.00 0.00 C ATOM 502 CD GLU B 13 6.511 -5.825 -3.266 1.00 0.00 C ATOM 503 OE1 GLU B 13 7.681 -5.406 -3.431 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 6.069 -6.822 -3.883 1.00 0.00 O ATOM 0 H GLU B 13 3.395 -5.351 -0.930 1.00 0.00 H new ATOM 0 HA GLU B 13 5.255 -5.710 1.195 1.00 0.00 H new ATOM 0 HB2 GLU B 13 6.926 -5.594 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.659 -6.778 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.555 -5.265 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.791 -4.053 -2.245 1.00 0.00 H new ATOM 511 N ALA B 14 4.982 -2.638 0.034 1.00 0.00 N ATOM 512 CA ALA B 14 5.240 -1.246 0.411 1.00 0.00 C ATOM 513 C ALA B 14 4.769 -0.942 1.841 1.00 0.00 C ATOM 514 O ALA B 14 5.541 -0.427 2.655 1.00 0.00 O ATOM 515 CB ALA B 14 4.551 -0.337 -0.607 1.00 0.00 C ATOM 0 H ALA B 14 4.348 -2.739 -0.759 1.00 0.00 H new ATOM 0 HA ALA B 14 6.315 -1.064 0.402 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.731 0.705 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.951 -0.535 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.479 -0.533 -0.602 1.00 0.00 H new ATOM 521 N LEU B 15 3.526 -1.310 2.173 1.00 0.00 N ATOM 522 CA LEU B 15 2.960 -1.149 3.509 1.00 0.00 C ATOM 523 C LEU B 15 3.792 -1.867 4.571 1.00 0.00 C ATOM 524 O LEU B 15 4.062 -1.282 5.614 1.00 0.00 O ATOM 525 CB LEU B 15 1.501 -1.633 3.548 1.00 0.00 C ATOM 526 CG LEU B 15 0.445 -0.683 2.970 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.911 -1.386 3.058 1.00 0.00 C ATOM 528 CD2 LEU B 15 0.359 0.640 3.735 1.00 0.00 C ATOM 0 H LEU B 15 2.879 -1.734 1.508 1.00 0.00 H new ATOM 0 HA LEU B 15 2.980 -0.084 3.741 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.441 -2.578 3.008 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.239 -1.842 4.585 1.00 0.00 H new ATOM 0 HG LEU B 15 0.724 -0.447 1.943 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.686 -0.734 2.654 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.879 -2.312 2.483 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.136 -1.614 4.100 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.404 1.273 3.282 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.097 0.443 4.775 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.323 1.148 3.694 1.00 0.00 H new ATOM 540 N TYR B 16 4.267 -3.086 4.302 1.00 0.00 N ATOM 541 CA TYR B 16 5.187 -3.785 5.200 1.00 0.00 C ATOM 542 C TYR B 16 6.534 -3.050 5.352 1.00 0.00 C ATOM 543 O TYR B 16 7.029 -2.916 6.471 1.00 0.00 O ATOM 544 CB TYR B 16 5.396 -5.227 4.717 1.00 0.00 C ATOM 545 CG TYR B 16 6.512 -5.915 5.478 1.00 0.00 C ATOM 546 CD1 TYR B 16 6.318 -6.294 6.820 1.00 0.00 C ATOM 547 CD2 TYR B 16 7.787 -6.031 4.891 1.00 0.00 C ATOM 548 CE1 TYR B 16 7.397 -6.782 7.580 1.00 0.00 C ATOM 549 CE2 TYR B 16 8.873 -6.514 5.646 1.00 0.00 C ATOM 550 CZ TYR B 16 8.681 -6.892 6.995 1.00 0.00 C ATOM 551 OH TYR B 16 9.727 -7.345 7.742 1.00 0.00 O ATOM 0 H TYR B 16 4.026 -3.612 3.462 1.00 0.00 H new ATOM 0 HA TYR B 16 4.732 -3.803 6.190 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.471 -5.790 4.839 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.629 -5.224 3.652 1.00 0.00 H new ATOM 0 HD1 TYR B 16 5.339 -6.210 7.267 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.932 -5.749 3.859 1.00 0.00 H new ATOM 0 HE1 TYR B 16 7.245 -7.072 8.609 1.00 0.00 H new ATOM 0 HE2 TYR B 16 9.851 -6.596 5.195 1.00 0.00 H new ATOM 0 HH TYR B 16 10.538 -7.362 7.192 1.00 0.00 H new ATOM 561 N LEU B 17 7.122 -2.539 4.264 1.00 0.00 N ATOM 562 CA LEU B 17 8.406 -1.827 4.310 1.00 0.00 C ATOM 563 C LEU B 17 8.302 -0.469 5.029 1.00 0.00 C ATOM 564 O LEU B 17 9.242 -0.076 5.719 1.00 0.00 O ATOM 565 CB LEU B 17 8.965 -1.694 2.882 1.00 0.00 C ATOM 566 CG LEU B 17 9.498 -3.021 2.297 1.00 0.00 C ATOM 567 CD1 LEU B 17 9.768 -2.842 0.797 1.00 0.00 C ATOM 568 CD2 LEU B 17 10.787 -3.492 2.990 1.00 0.00 C ATOM 0 H LEU B 17 6.722 -2.607 3.328 1.00 0.00 H new ATOM 0 HA LEU B 17 9.106 -2.412 4.906 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.182 -1.308 2.229 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.770 -0.959 2.883 1.00 0.00 H new ATOM 0 HG LEU B 17 8.736 -3.782 2.465 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.144 -3.777 0.381 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.843 -2.566 0.291 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.509 -2.056 0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.120 -4.428 2.542 1.00 0.00 H new ATOM 0 HD22 LEU B 17 11.563 -2.736 2.869 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.594 -3.646 4.052 1.00 0.00 H new ATOM 580 N VAL B 18 7.159 0.215 4.926 1.00 0.00 N ATOM 581 CA VAL B 18 6.849 1.447 5.686 1.00 0.00 C ATOM 582 C VAL B 18 6.580 1.136 7.165 1.00 0.00 C ATOM 583 O VAL B 18 7.221 1.703 8.049 1.00 0.00 O ATOM 584 CB VAL B 18 5.632 2.180 5.073 1.00 0.00 C ATOM 585 CG1 VAL B 18 5.126 3.369 5.912 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.002 2.704 3.683 1.00 0.00 C ATOM 0 H VAL B 18 6.404 -0.071 4.303 1.00 0.00 H new ATOM 0 HA VAL B 18 7.721 2.098 5.624 1.00 0.00 H new ATOM 0 HB VAL B 18 4.828 1.445 5.035 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.272 3.828 5.414 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.824 3.016 6.898 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.923 4.105 6.018 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.146 3.221 3.249 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.840 3.396 3.766 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.284 1.868 3.042 1.00 0.00 H new ATOM 596 N CYS B 19 5.614 0.253 7.431 1.00 0.00 N ATOM 597 CA CYS B 19 5.080 -0.003 8.780 1.00 0.00 C ATOM 598 C CYS B 19 5.967 -0.900 9.665 1.00 0.00 C ATOM 599 O CYS B 19 5.910 -0.813 10.896 1.00 0.00 O ATOM 600 CB CYS B 19 3.686 -0.626 8.620 1.00 0.00 C ATOM 601 SG CYS B 19 2.680 -0.642 10.122 1.00 0.00 S ATOM 0 H CYS B 19 5.172 -0.315 6.708 1.00 0.00 H new ATOM 0 HA CYS B 19 5.045 0.953 9.303 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.147 -0.080 7.846 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.801 -1.651 8.267 1.00 0.00 H new ATOM 606 N GLY B 20 6.792 -1.759 9.058 1.00 0.00 N ATOM 607 CA GLY B 20 7.650 -2.739 9.737 1.00 0.00 C ATOM 608 C GLY B 20 6.896 -4.000 10.166 1.00 0.00 C ATOM 609 O GLY B 20 5.822 -4.318 9.649 1.00 0.00 O ATOM 0 H GLY B 20 6.885 -1.793 8.043 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.467 -3.020 9.073 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.098 -2.274 10.615 1.00 0.00 H new ATOM 613 N GLU B 21 7.456 -4.708 11.152 1.00 0.00 N ATOM 614 CA GLU B 21 6.927 -5.961 11.723 1.00 0.00 C ATOM 615 C GLU B 21 5.519 -5.815 12.353 1.00 0.00 C ATOM 616 O GLU B 21 4.829 -6.811 12.581 1.00 0.00 O ATOM 617 CB GLU B 21 7.960 -6.488 12.740 1.00 0.00 C ATOM 618 CG GLU B 21 7.723 -7.937 13.188 1.00 0.00 C ATOM 619 CD GLU B 21 8.890 -8.442 14.050 1.00 0.00 C ATOM 620 OE1 GLU B 21 8.892 -8.196 15.280 1.00 0.00 O ATOM 621 OE2 GLU B 21 9.814 -9.094 13.507 1.00 0.00 O1- ATOM 0 H GLU B 21 8.327 -4.416 11.596 1.00 0.00 H new ATOM 0 HA GLU B 21 6.785 -6.678 10.914 1.00 0.00 H new ATOM 0 HB2 GLU B 21 8.955 -6.414 12.301 1.00 0.00 H new ATOM 0 HB3 GLU B 21 7.950 -5.842 13.618 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.794 -7.999 13.754 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.607 -8.578 12.314 1.00 0.00 H new ATOM 628 N ARG B 22 5.061 -4.575 12.580 1.00 0.00 N ATOM 629 CA ARG B 22 3.708 -4.229 13.045 1.00 0.00 C ATOM 630 C ARG B 22 2.591 -4.789 12.144 1.00 0.00 C ATOM 631 O ARG B 22 1.490 -5.071 12.631 1.00 0.00 O ATOM 632 CB ARG B 22 3.562 -2.699 13.080 1.00 0.00 C ATOM 633 CG ARG B 22 4.544 -1.980 14.015 1.00 0.00 C ATOM 634 CD ARG B 22 4.301 -0.465 13.960 1.00 0.00 C ATOM 635 NE ARG B 22 5.271 0.267 14.793 1.00 0.00 N ATOM 636 CZ ARG B 22 6.482 0.681 14.432 1.00 0.00 C ATOM 637 NH1 ARG B 22 6.975 0.465 13.229 1.00 0.00 N ATOM 638 NH2 ARG B 22 7.229 1.332 15.298 1.00 0.00 N1+ ATOM 0 H ARG B 22 5.646 -3.752 12.439 1.00 0.00 H new ATOM 0 HA ARG B 22 3.596 -4.675 14.033 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.695 -2.312 12.070 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.545 -2.452 13.385 1.00 0.00 H new ATOM 0 HG2 ARG B 22 4.419 -2.341 15.036 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.570 -2.204 13.722 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.373 -0.121 12.928 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.289 -0.245 14.300 1.00 0.00 H new ATOM 0 HE ARG B 22 4.983 0.479 15.748 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.422 -0.037 12.534 1.00 0.00 H new ATOM 0 HH12 ARG B 22 7.909 0.800 12.993 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.878 1.515 16.238 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.159 1.653 15.029 1.00 0.00 H new ATOM 652 N GLY B 23 2.852 -4.923 10.836 1.00 0.00 N ATOM 653 CA GLY B 23 1.870 -5.338 9.826 1.00 0.00 C ATOM 654 C GLY B 23 0.846 -4.247 9.502 1.00 0.00 C ATOM 655 O GLY B 23 0.937 -3.116 9.976 1.00 0.00 O ATOM 0 H GLY B 23 3.775 -4.741 10.442 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.394 -5.620 8.912 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.346 -6.226 10.180 1.00 0.00 H new ATOM 659 N HIS B 24 -0.151 -4.591 8.695 1.00 0.00 N ATOM 660 CA HIS B 24 -1.189 -3.669 8.214 1.00 0.00 C ATOM 661 C HIS B 24 -2.512 -4.395 7.895 1.00 0.00 C ATOM 662 O HIS B 24 -2.542 -5.620 7.733 1.00 0.00 O ATOM 663 CB HIS B 24 -0.644 -2.896 7.004 1.00 0.00 C ATOM 664 CG HIS B 24 -0.151 -3.793 5.904 1.00 0.00 C ATOM 665 ND1 HIS B 24 -0.953 -4.388 4.933 1.00 0.00 N ATOM 666 CD2 HIS B 24 1.152 -4.112 5.668 1.00 0.00 C ATOM 667 CE1 HIS B 24 -0.105 -5.042 4.124 1.00 0.00 C ATOM 668 NE2 HIS B 24 1.165 -4.903 4.543 1.00 0.00 N ATOM 0 H HIS B 24 -0.268 -5.542 8.345 1.00 0.00 H new ATOM 0 HA HIS B 24 -1.431 -2.962 9.007 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -1.427 -2.247 6.612 1.00 0.00 H new ATOM 0 HB3 HIS B 24 0.171 -2.250 7.330 1.00 0.00 H new ATOM 0 HD2 HIS B 24 2.008 -3.804 6.250 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -0.403 -5.605 3.252 1.00 0.00 H new ATOM 0 HE2 HIS B 24 1.991 -5.311 4.105 1.00 0.00 H new ATOM 676 N PHE B 25 -3.612 -3.639 7.825 1.00 0.00 N ATOM 677 CA PHE B 25 -4.966 -4.178 7.651 1.00 0.00 C ATOM 678 C PHE B 25 -5.380 -4.399 6.182 1.00 0.00 C ATOM 679 O PHE B 25 -6.375 -5.078 5.929 1.00 0.00 O ATOM 680 CB PHE B 25 -5.955 -3.293 8.426 1.00 0.00 C ATOM 681 CG PHE B 25 -5.937 -1.811 8.092 1.00 0.00 C ATOM 682 CD1 PHE B 25 -6.602 -1.338 6.945 1.00 0.00 C ATOM 683 CD2 PHE B 25 -5.291 -0.898 8.953 1.00 0.00 C ATOM 684 CE1 PHE B 25 -6.637 0.040 6.665 1.00 0.00 C ATOM 685 CE2 PHE B 25 -5.338 0.480 8.677 1.00 0.00 C ATOM 686 CZ PHE B 25 -6.017 0.950 7.539 1.00 0.00 C ATOM 0 H PHE B 25 -3.587 -2.621 7.888 1.00 0.00 H new ATOM 0 HA PHE B 25 -4.979 -5.186 8.066 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.962 -3.671 8.251 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.753 -3.406 9.491 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.087 -2.035 6.278 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.761 -1.257 9.823 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.140 0.399 5.779 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -4.851 1.179 9.341 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.062 2.010 7.336 1.00 0.00 H new ATOM 696 N TYR B 26 -4.623 -3.887 5.202 1.00 0.00 N ATOM 697 CA TYR B 26 -4.805 -4.210 3.780 1.00 0.00 C ATOM 698 C TYR B 26 -4.130 -5.552 3.421 1.00 0.00 C ATOM 699 O TYR B 26 -3.013 -5.602 2.898 1.00 0.00 O ATOM 700 CB TYR B 26 -4.326 -3.042 2.900 1.00 0.00 C ATOM 701 CG TYR B 26 -4.321 -3.351 1.409 1.00 0.00 C ATOM 702 CD1 TYR B 26 -5.526 -3.610 0.723 1.00 0.00 C ATOM 703 CD2 TYR B 26 -3.099 -3.454 0.718 1.00 0.00 C ATOM 704 CE1 TYR B 26 -5.503 -3.979 -0.638 1.00 0.00 C ATOM 705 CE2 TYR B 26 -3.067 -3.813 -0.637 1.00 0.00 C ATOM 706 CZ TYR B 26 -4.269 -4.082 -1.323 1.00 0.00 C ATOM 707 OH TYR B 26 -4.232 -4.453 -2.633 1.00 0.00 O ATOM 0 H TYR B 26 -3.861 -3.232 5.375 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.868 -4.344 3.581 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.967 -2.179 3.079 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.318 -2.760 3.205 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.469 -3.525 1.242 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.174 -3.254 1.238 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.428 -4.183 -1.158 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.122 -3.883 -1.155 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.302 -4.470 -2.942 1.00 0.00 H new ATOM 717 N THR B 27 -4.828 -6.658 3.698 1.00 0.00 N ATOM 718 CA THR B 27 -4.416 -8.027 3.337 1.00 0.00 C ATOM 719 C THR B 27 -5.398 -8.589 2.294 1.00 0.00 C ATOM 720 O THR B 27 -6.419 -9.168 2.681 1.00 0.00 O ATOM 721 CB THR B 27 -4.281 -8.905 4.592 1.00 0.00 C ATOM 722 OG1 THR B 27 -5.430 -8.798 5.409 1.00 0.00 O ATOM 723 CG2 THR B 27 -3.065 -8.468 5.418 1.00 0.00 C ATOM 0 H THR B 27 -5.720 -6.630 4.193 1.00 0.00 H new ATOM 0 HA THR B 27 -3.426 -8.018 2.880 1.00 0.00 H new ATOM 0 HB THR B 27 -4.162 -9.936 4.260 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.234 -8.889 4.856 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.981 -9.098 6.304 1.00 0.00 H new ATOM 0 HG22 THR B 27 -2.162 -8.567 4.816 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.186 -7.428 5.722 1.00 0.00 H new ATOM 731 N PRO B 28 -5.144 -8.381 0.983 1.00 0.00 N ATOM 732 CA PRO B 28 -6.062 -8.761 -0.091 1.00 0.00 C ATOM 733 C PRO B 28 -6.090 -10.279 -0.312 1.00 0.00 C ATOM 734 O PRO B 28 -5.147 -10.996 0.027 1.00 0.00 O ATOM 735 CB PRO B 28 -5.564 -8.022 -1.338 1.00 0.00 C ATOM 736 CG PRO B 28 -4.063 -7.900 -1.092 1.00 0.00 C ATOM 737 CD PRO B 28 -3.988 -7.694 0.419 1.00 0.00 C ATOM 0 HA PRO B 28 -7.089 -8.489 0.155 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.779 -8.579 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.036 -7.045 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.527 -8.796 -1.406 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.630 -7.061 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -3.060 -8.100 0.821 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.006 -6.633 0.668 1.00 0.00 H new ATOM 745 N LYS B 29 -7.173 -10.770 -0.924 1.00 0.00 N ATOM 746 CA LYS B 29 -7.330 -12.184 -1.286 1.00 0.00 C ATOM 747 C LYS B 29 -6.384 -12.578 -2.444 1.00 0.00 C ATOM 748 O LYS B 29 -6.466 -12.032 -3.550 1.00 0.00 O ATOM 749 CB LYS B 29 -8.816 -12.442 -1.604 1.00 0.00 C ATOM 750 CG LYS B 29 -9.198 -13.870 -2.042 1.00 0.00 C ATOM 751 CD LYS B 29 -9.119 -14.971 -0.968 1.00 0.00 C ATOM 752 CE LYS B 29 -7.699 -15.505 -0.732 1.00 0.00 C ATOM 753 NZ LYS B 29 -7.697 -16.741 0.092 1.00 0.00 N1+ ATOM 0 H LYS B 29 -7.972 -10.193 -1.185 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.041 -12.822 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -9.401 -12.191 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.119 -11.753 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.217 -13.845 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.549 -14.156 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.510 -14.579 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.764 -15.799 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.225 -15.709 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -7.102 -14.739 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -6.719 -17.067 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.126 -16.541 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.245 -17.481 -0.391 1.00 0.00 H new ATOM 767 N THR B 30 -5.493 -13.538 -2.176 1.00 0.00 N ATOM 768 CA THR B 30 -4.558 -14.173 -3.129 1.00 0.00 C ATOM 769 C THR B 30 -5.243 -14.948 -4.261 1.00 0.00 C ATOM 770 O THR B 30 -6.340 -15.516 -4.056 1.00 0.00 O ATOM 771 CB THR B 30 -3.588 -15.103 -2.386 1.00 0.00 C ATOM 772 OG1 THR B 30 -4.285 -15.890 -1.435 1.00 0.00 O ATOM 773 CG2 THR B 30 -2.526 -14.298 -1.634 1.00 0.00 C ATOM 774 OXT THR B 30 -4.673 -14.973 -5.376 1.00 0.00 O1- ATOM 0 H THR B 30 -5.394 -13.919 -1.235 1.00 0.00 H new ATOM 0 HA THR B 30 -4.018 -13.351 -3.600 1.00 0.00 H new ATOM 0 HB THR B 30 -3.115 -15.739 -3.134 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.653 -16.478 -0.971 1.00 0.00 H new ATOM 0 HG21 THR B 30 -1.852 -14.980 -1.116 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.958 -13.694 -2.342 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.011 -13.646 -0.908 1.00 0.00 H new TER 782 THR B 30