USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 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 15 GLN : amide:sc= 0.668 K(o=0.94,f=-2.9!) USER MOD Set 1.2: A 19 TYR OH : rot 147:sc= 0.269 USER MOD Single : A 1 GLY N :NH3+ 179:sc= 0.858 (180deg=0.857) USER MOD Single : A 5 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 8 THR OG1 : rot -71:sc= 1.29 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.583 K(o=0.58,f=0) USER MOD Single : B 103 ASN : amide:sc= 0.289 K(o=0.29,f=-3.4!) USER MOD Single : B 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 105 HIS : no HE2:sc= 0.836 K(o=0.84,f=-2.6!) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 110 HIS : no HE2:sc= 0.824 K(o=0.82,f=-2.8!) USER MOD Single : B 116 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 TYR OH : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.461 24.886 11.691 1.00 0.00 N ATOM 2 CA GLY A 1 13.761 24.439 10.471 1.00 0.00 C ATOM 3 C GLY A 1 14.122 23.000 10.140 1.00 0.00 C ATOM 4 O GLY A 1 13.876 22.104 10.949 1.00 0.00 O ATOM 0 H1 GLY A 1 14.214 25.876 11.890 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.175 24.290 12.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.488 24.807 11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.684 24.526 10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.026 25.087 9.636 1.00 0.00 H new ATOM 10 N ILE A 2 14.706 22.768 8.959 1.00 0.00 N ATOM 11 CA ILE A 2 15.214 21.458 8.516 1.00 0.00 C ATOM 12 C ILE A 2 16.298 21.625 7.433 1.00 0.00 C ATOM 13 O ILE A 2 17.334 20.966 7.479 1.00 0.00 O ATOM 14 CB ILE A 2 14.034 20.552 8.054 1.00 0.00 C ATOM 15 CG1 ILE A 2 14.379 19.050 8.105 1.00 0.00 C ATOM 16 CG2 ILE A 2 13.480 20.889 6.657 1.00 0.00 C ATOM 17 CD1 ILE A 2 14.493 18.525 9.541 1.00 0.00 C ATOM 0 H ILE A 2 14.843 23.503 8.265 1.00 0.00 H new ATOM 0 HA ILE A 2 15.694 20.957 9.357 1.00 0.00 H new ATOM 0 HB ILE A 2 13.252 20.771 8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.612 18.486 7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 2 15.320 18.878 7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.662 20.210 6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.113 21.915 6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.272 20.781 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.737 17.463 9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 2 15.279 19.069 10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.544 18.670 10.058 1.00 0.00 H new ATOM 29 N VAL A 3 16.094 22.554 6.488 1.00 0.00 N ATOM 30 CA VAL A 3 16.990 22.819 5.347 1.00 0.00 C ATOM 31 C VAL A 3 18.303 23.458 5.791 1.00 0.00 C ATOM 32 O VAL A 3 19.376 23.033 5.367 1.00 0.00 O ATOM 33 CB VAL A 3 16.293 23.698 4.285 1.00 0.00 C ATOM 34 CG1 VAL A 3 17.173 23.927 3.047 1.00 0.00 C ATOM 35 CG2 VAL A 3 14.978 23.072 3.799 1.00 0.00 C ATOM 0 H VAL A 3 15.275 23.162 6.495 1.00 0.00 H new ATOM 0 HA VAL A 3 17.227 21.855 4.897 1.00 0.00 H new ATOM 0 HB VAL A 3 16.101 24.648 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.638 24.550 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.096 24.425 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.411 22.968 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.520 23.721 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.181 22.097 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.298 22.952 4.643 1.00 0.00 H new ATOM 45 N GLU A 4 18.243 24.451 6.678 1.00 0.00 N ATOM 46 CA GLU A 4 19.397 25.238 7.128 1.00 0.00 C ATOM 47 C GLU A 4 20.511 24.387 7.761 1.00 0.00 C ATOM 48 O GLU A 4 21.692 24.688 7.589 1.00 0.00 O ATOM 49 CB GLU A 4 18.918 26.381 8.047 1.00 0.00 C ATOM 50 CG GLU A 4 18.435 25.974 9.447 1.00 0.00 C ATOM 51 CD GLU A 4 17.158 25.111 9.493 1.00 0.00 C ATOM 52 OE1 GLU A 4 16.306 25.177 8.573 1.00 0.00 O ATOM 53 OE2 GLU A 4 16.977 24.361 10.480 1.00 0.00 O ATOM 0 H GLU A 4 17.369 24.740 7.117 1.00 0.00 H new ATOM 0 HA GLU A 4 19.866 25.677 6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 4 19.735 27.093 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.106 26.906 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 4 19.238 25.428 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.260 26.880 10.028 1.00 0.00 H new ATOM 60 N GLN A 5 20.149 23.270 8.401 1.00 0.00 N ATOM 61 CA GLN A 5 21.058 22.334 9.075 1.00 0.00 C ATOM 62 C GLN A 5 21.904 21.459 8.120 1.00 0.00 C ATOM 63 O GLN A 5 22.816 20.766 8.573 1.00 0.00 O ATOM 64 CB GLN A 5 20.209 21.488 10.040 1.00 0.00 C ATOM 65 CG GLN A 5 19.784 22.273 11.288 1.00 0.00 C ATOM 66 CD GLN A 5 18.674 21.545 12.041 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.897 20.582 12.764 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.436 21.971 11.895 1.00 0.00 N ATOM 0 H GLN A 5 19.173 22.980 8.467 1.00 0.00 H new ATOM 0 HA GLN A 5 21.809 22.910 9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.321 21.130 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 5 20.777 20.608 10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.643 22.412 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.441 23.266 10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.240 22.772 11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.674 21.500 12.382 1.00 0.00 H new ATOM 77 N CYS A 6 21.621 21.506 6.811 1.00 0.00 N ATOM 78 CA CYS A 6 22.440 20.938 5.725 1.00 0.00 C ATOM 79 C CYS A 6 22.809 21.963 4.626 1.00 0.00 C ATOM 80 O CYS A 6 23.733 21.732 3.841 1.00 0.00 O ATOM 81 CB CYS A 6 21.687 19.755 5.106 1.00 0.00 C ATOM 82 SG CYS A 6 21.697 18.199 6.037 1.00 0.00 S ATOM 0 H CYS A 6 20.777 21.961 6.462 1.00 0.00 H new ATOM 0 HA CYS A 6 23.384 20.616 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 6 20.650 20.054 4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 6 22.109 19.563 4.120 1.00 0.00 H new ATOM 87 N CYS A 7 22.107 23.097 4.560 1.00 0.00 N ATOM 88 CA CYS A 7 22.328 24.149 3.568 1.00 0.00 C ATOM 89 C CYS A 7 23.378 25.185 4.019 1.00 0.00 C ATOM 90 O CYS A 7 24.153 25.664 3.192 1.00 0.00 O ATOM 91 CB CYS A 7 20.959 24.763 3.244 1.00 0.00 C ATOM 92 SG CYS A 7 20.950 26.149 2.076 1.00 0.00 S ATOM 0 H CYS A 7 21.352 23.313 5.211 1.00 0.00 H new ATOM 0 HA CYS A 7 22.761 23.728 2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.318 23.977 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.507 25.100 4.177 1.00 0.00 H new ATOM 97 N THR A 8 23.479 25.502 5.317 1.00 0.00 N ATOM 98 CA THR A 8 24.489 26.466 5.821 1.00 0.00 C ATOM 99 C THR A 8 25.909 25.886 5.857 1.00 0.00 C ATOM 100 O THR A 8 26.877 26.612 5.612 1.00 0.00 O ATOM 101 CB THR A 8 24.133 27.032 7.205 1.00 0.00 C ATOM 102 OG1 THR A 8 23.996 26.018 8.178 1.00 0.00 O ATOM 103 CG2 THR A 8 22.848 27.862 7.181 1.00 0.00 C ATOM 0 H THR A 8 22.879 25.110 6.042 1.00 0.00 H new ATOM 0 HA THR A 8 24.472 27.282 5.098 1.00 0.00 H new ATOM 0 HB THR A 8 24.969 27.677 7.474 1.00 0.00 H new ATOM 0 HG1 THR A 8 23.175 25.510 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 8 22.640 28.239 8.182 1.00 0.00 H new ATOM 0 HG22 THR A 8 22.969 28.700 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 8 22.018 27.238 6.849 1.00 0.00 H new ATOM 111 N SER A 9 26.048 24.583 6.104 1.00 0.00 N ATOM 112 CA SER A 9 27.308 23.818 6.070 1.00 0.00 C ATOM 113 C SER A 9 27.037 22.316 5.859 1.00 0.00 C ATOM 114 O SER A 9 25.898 21.855 5.998 1.00 0.00 O ATOM 115 CB SER A 9 28.107 24.036 7.371 1.00 0.00 C ATOM 116 OG SER A 9 27.385 23.612 8.521 1.00 0.00 O ATOM 0 H SER A 9 25.248 23.998 6.346 1.00 0.00 H new ATOM 0 HA SER A 9 27.899 24.181 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 9 29.049 23.490 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 9 28.357 25.092 7.470 1.00 0.00 H new ATOM 0 HG SER A 9 27.927 23.766 9.323 1.00 0.00 H new ATOM 122 N ILE A 10 28.077 21.546 5.510 1.00 0.00 N ATOM 123 CA ILE A 10 27.982 20.086 5.306 1.00 0.00 C ATOM 124 C ILE A 10 27.472 19.359 6.567 1.00 0.00 C ATOM 125 O ILE A 10 27.792 19.748 7.695 1.00 0.00 O ATOM 126 CB ILE A 10 29.312 19.483 4.791 1.00 0.00 C ATOM 127 CG1 ILE A 10 30.512 19.777 5.718 1.00 0.00 C ATOM 128 CG2 ILE A 10 29.580 19.968 3.354 1.00 0.00 C ATOM 129 CD1 ILE A 10 31.768 18.967 5.377 1.00 0.00 C ATOM 0 H ILE A 10 29.015 21.917 5.359 1.00 0.00 H new ATOM 0 HA ILE A 10 27.239 19.926 4.525 1.00 0.00 H new ATOM 0 HB ILE A 10 29.201 18.399 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 10 30.750 20.839 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 10 30.224 19.567 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 10 30.517 19.542 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 10 28.764 19.650 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 10 29.649 21.056 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.568 19.227 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 10 31.548 17.903 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 10 32.082 19.195 4.358 1.00 0.00 H new ATOM 141 N CYS A 11 26.661 18.315 6.377 1.00 0.00 N ATOM 142 CA CYS A 11 25.889 17.660 7.441 1.00 0.00 C ATOM 143 C CYS A 11 26.052 16.128 7.501 1.00 0.00 C ATOM 144 O CYS A 11 26.770 15.521 6.699 1.00 0.00 O ATOM 145 CB CYS A 11 24.429 18.088 7.271 1.00 0.00 C ATOM 146 SG CYS A 11 23.582 17.466 5.798 1.00 0.00 S ATOM 0 H CYS A 11 26.518 17.891 5.460 1.00 0.00 H new ATOM 0 HA CYS A 11 26.279 17.985 8.406 1.00 0.00 H new ATOM 0 HB2 CYS A 11 23.872 17.763 8.150 1.00 0.00 H new ATOM 0 HB3 CYS A 11 24.391 19.177 7.254 1.00 0.00 H new ATOM 151 N SER A 12 25.398 15.493 8.481 1.00 0.00 N ATOM 152 CA SER A 12 25.555 14.062 8.765 1.00 0.00 C ATOM 153 C SER A 12 24.648 13.185 7.898 1.00 0.00 C ATOM 154 O SER A 12 23.531 13.571 7.543 1.00 0.00 O ATOM 155 CB SER A 12 25.313 13.801 10.254 1.00 0.00 C ATOM 156 OG SER A 12 25.524 12.428 10.538 1.00 0.00 O ATOM 0 H SER A 12 24.740 15.962 9.104 1.00 0.00 H new ATOM 0 HA SER A 12 26.578 13.785 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.985 14.414 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.296 14.086 10.523 1.00 0.00 H new ATOM 0 HG SER A 12 25.370 12.264 11.492 1.00 0.00 H new ATOM 162 N LEU A 13 25.080 11.951 7.627 1.00 0.00 N ATOM 163 CA LEU A 13 24.220 10.931 7.014 1.00 0.00 C ATOM 164 C LEU A 13 23.019 10.618 7.930 1.00 0.00 C ATOM 165 O LEU A 13 21.909 10.428 7.443 1.00 0.00 O ATOM 166 CB LEU A 13 25.044 9.665 6.719 1.00 0.00 C ATOM 167 CG LEU A 13 26.261 9.875 5.793 1.00 0.00 C ATOM 168 CD1 LEU A 13 26.989 8.546 5.591 1.00 0.00 C ATOM 169 CD2 LEU A 13 25.875 10.424 4.417 1.00 0.00 C ATOM 0 H LEU A 13 26.028 11.631 7.824 1.00 0.00 H new ATOM 0 HA LEU A 13 23.826 11.311 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 13 25.394 9.250 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 13 24.388 8.921 6.268 1.00 0.00 H new ATOM 0 HG LEU A 13 26.901 10.609 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 13 27.848 8.697 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 13 27.329 8.167 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 13 26.310 7.824 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 13 26.772 10.551 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 13 25.199 9.726 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 13 25.379 11.387 4.536 1.00 0.00 H new ATOM 181 N TYR A 14 23.210 10.684 9.253 1.00 0.00 N ATOM 182 CA TYR A 14 22.147 10.513 10.251 1.00 0.00 C ATOM 183 C TYR A 14 21.081 11.623 10.199 1.00 0.00 C ATOM 184 O TYR A 14 19.917 11.370 10.505 1.00 0.00 O ATOM 185 CB TYR A 14 22.788 10.433 11.644 1.00 0.00 C ATOM 186 CG TYR A 14 21.803 10.134 12.761 1.00 0.00 C ATOM 187 CD1 TYR A 14 21.296 8.830 12.922 1.00 0.00 C ATOM 188 CD2 TYR A 14 21.387 11.166 13.629 1.00 0.00 C ATOM 189 CE1 TYR A 14 20.377 8.553 13.950 1.00 0.00 C ATOM 190 CE2 TYR A 14 20.466 10.893 14.660 1.00 0.00 C ATOM 191 CZ TYR A 14 19.957 9.583 14.824 1.00 0.00 C ATOM 192 OH TYR A 14 19.070 9.327 15.825 1.00 0.00 O ATOM 0 H TYR A 14 24.125 10.861 9.668 1.00 0.00 H new ATOM 0 HA TYR A 14 21.618 9.588 10.023 1.00 0.00 H new ATOM 0 HB2 TYR A 14 23.557 9.660 11.635 1.00 0.00 H new ATOM 0 HB3 TYR A 14 23.288 11.378 11.857 1.00 0.00 H new ATOM 0 HD1 TYR A 14 21.613 8.042 12.255 1.00 0.00 H new ATOM 0 HD2 TYR A 14 21.775 12.166 13.503 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.991 7.552 14.072 1.00 0.00 H new ATOM 0 HE2 TYR A 14 20.149 11.683 15.325 1.00 0.00 H new ATOM 0 HH TYR A 14 18.896 10.151 16.327 1.00 0.00 H new ATOM 202 N GLN A 15 21.441 12.837 9.753 1.00 0.00 N ATOM 203 CA GLN A 15 20.482 13.929 9.529 1.00 0.00 C ATOM 204 C GLN A 15 19.625 13.632 8.295 1.00 0.00 C ATOM 205 O GLN A 15 18.401 13.720 8.353 1.00 0.00 O ATOM 206 CB GLN A 15 21.219 15.272 9.377 1.00 0.00 C ATOM 207 CG GLN A 15 21.733 15.830 10.708 1.00 0.00 C ATOM 208 CD GLN A 15 22.615 17.054 10.467 1.00 0.00 C ATOM 209 OE1 GLN A 15 23.834 16.988 10.527 1.00 0.00 O ATOM 210 NE2 GLN A 15 22.042 18.186 10.117 1.00 0.00 N ATOM 0 H GLN A 15 22.406 13.089 9.538 1.00 0.00 H new ATOM 0 HA GLN A 15 19.824 14.003 10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 22.060 15.143 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 15 20.547 15.999 8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.891 16.100 11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 15 22.300 15.064 11.236 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.025 18.248 10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 15 22.615 19.001 9.898 1.00 0.00 H new ATOM 219 N LEU A 16 20.237 13.187 7.197 1.00 0.00 N ATOM 220 CA LEU A 16 19.501 12.807 5.988 1.00 0.00 C ATOM 221 C LEU A 16 18.617 11.560 6.199 1.00 0.00 C ATOM 222 O LEU A 16 17.512 11.493 5.658 1.00 0.00 O ATOM 223 CB LEU A 16 20.505 12.654 4.836 1.00 0.00 C ATOM 224 CG LEU A 16 21.263 13.957 4.511 1.00 0.00 C ATOM 225 CD1 LEU A 16 22.324 13.679 3.458 1.00 0.00 C ATOM 226 CD2 LEU A 16 20.353 15.059 3.967 1.00 0.00 C ATOM 0 H LEU A 16 21.248 13.080 7.119 1.00 0.00 H new ATOM 0 HA LEU A 16 18.793 13.595 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 16 21.225 11.877 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 16 19.976 12.317 3.944 1.00 0.00 H new ATOM 0 HG LEU A 16 21.699 14.301 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 16 22.859 14.600 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.026 12.936 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 16 21.848 13.301 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 16 20.945 15.950 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.876 14.717 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 16 19.588 15.297 4.706 1.00 0.00 H new ATOM 238 N GLU A 17 19.027 10.626 7.069 1.00 0.00 N ATOM 239 CA GLU A 17 18.187 9.511 7.540 1.00 0.00 C ATOM 240 C GLU A 17 17.077 9.951 8.527 1.00 0.00 C ATOM 241 O GLU A 17 16.171 9.169 8.821 1.00 0.00 O ATOM 242 CB GLU A 17 19.053 8.421 8.197 1.00 0.00 C ATOM 243 CG GLU A 17 19.897 7.636 7.189 1.00 0.00 C ATOM 244 CD GLU A 17 20.606 6.453 7.876 1.00 0.00 C ATOM 245 OE1 GLU A 17 21.695 6.646 8.471 1.00 0.00 O ATOM 246 OE2 GLU A 17 20.075 5.316 7.828 1.00 0.00 O ATOM 0 H GLU A 17 19.964 10.622 7.472 1.00 0.00 H new ATOM 0 HA GLU A 17 17.691 9.115 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.712 8.883 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.407 7.729 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.261 7.267 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.637 8.295 6.735 1.00 0.00 H new ATOM 253 N ASN A 18 17.119 11.189 9.036 1.00 0.00 N ATOM 254 CA ASN A 18 16.091 11.792 9.890 1.00 0.00 C ATOM 255 C ASN A 18 15.111 12.678 9.095 1.00 0.00 C ATOM 256 O ASN A 18 13.940 12.773 9.468 1.00 0.00 O ATOM 257 CB ASN A 18 16.790 12.560 11.021 1.00 0.00 C ATOM 258 CG ASN A 18 15.814 13.115 12.042 1.00 0.00 C ATOM 259 OD1 ASN A 18 15.433 14.275 12.012 1.00 0.00 O ATOM 260 ND2 ASN A 18 15.378 12.300 12.976 1.00 0.00 N ATOM 0 H ASN A 18 17.900 11.821 8.857 1.00 0.00 H new ATOM 0 HA ASN A 18 15.472 11.004 10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.496 11.898 11.522 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.369 13.379 10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.719 12.636 13.679 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.698 11.332 12.998 1.00 0.00 H new ATOM 267 N TYR A 19 15.553 13.308 7.995 1.00 0.00 N ATOM 268 CA TYR A 19 14.714 14.192 7.171 1.00 0.00 C ATOM 269 C TYR A 19 13.749 13.412 6.258 1.00 0.00 C ATOM 270 O TYR A 19 12.700 13.933 5.869 1.00 0.00 O ATOM 271 CB TYR A 19 15.603 15.117 6.319 1.00 0.00 C ATOM 272 CG TYR A 19 16.576 16.055 7.023 1.00 0.00 C ATOM 273 CD1 TYR A 19 16.653 16.164 8.430 1.00 0.00 C ATOM 274 CD2 TYR A 19 17.412 16.854 6.220 1.00 0.00 C ATOM 275 CE1 TYR A 19 17.597 17.018 9.026 1.00 0.00 C ATOM 276 CE2 TYR A 19 18.311 17.756 6.815 1.00 0.00 C ATOM 277 CZ TYR A 19 18.432 17.814 8.219 1.00 0.00 C ATOM 278 OH TYR A 19 19.366 18.617 8.791 1.00 0.00 O ATOM 0 H TYR A 19 16.509 13.218 7.650 1.00 0.00 H new ATOM 0 HA TYR A 19 14.105 14.784 7.855 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.182 14.487 5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.946 15.728 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.983 15.588 9.051 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.362 16.774 5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.682 17.064 10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 19 18.911 18.406 6.195 1.00 0.00 H new ATOM 0 HH TYR A 19 20.149 18.676 8.205 1.00 0.00 H new ATOM 288 N CYS A 20 14.078 12.157 5.931 1.00 0.00 N ATOM 289 CA CYS A 20 13.185 11.233 5.233 1.00 0.00 C ATOM 290 C CYS A 20 12.066 10.674 6.144 1.00 0.00 C ATOM 291 O CYS A 20 12.066 10.872 7.361 1.00 0.00 O ATOM 292 CB CYS A 20 14.013 10.104 4.610 1.00 0.00 C ATOM 293 SG CYS A 20 14.812 9.030 5.822 1.00 0.00 S ATOM 0 H CYS A 20 14.988 11.751 6.149 1.00 0.00 H new ATOM 0 HA CYS A 20 12.675 11.789 4.446 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.366 9.500 3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 20 14.777 10.539 3.965 1.00 0.00 H new ATOM 298 N ASN A 21 11.105 9.965 5.540 1.00 0.00 N ATOM 299 CA ASN A 21 9.847 9.518 6.140 1.00 0.00 C ATOM 300 C ASN A 21 9.072 10.697 6.788 1.00 0.00 C ATOM 301 O ASN A 21 8.498 10.575 7.874 1.00 0.00 O ATOM 302 CB ASN A 21 10.127 8.286 7.019 1.00 0.00 C ATOM 303 CG ASN A 21 8.911 7.398 7.255 1.00 0.00 C ATOM 304 OD1 ASN A 21 8.806 6.296 6.735 1.00 0.00 O ATOM 305 ND2 ASN A 21 7.956 7.838 8.037 1.00 0.00 N ATOM 0 H ASN A 21 11.191 9.673 4.566 1.00 0.00 H new ATOM 0 HA ASN A 21 9.140 9.173 5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.912 7.691 6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.511 8.621 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.132 7.262 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.037 8.756 8.474 1.00 0.00 H new ATOM 312 N GLY A 22 9.107 11.860 6.119 1.00 0.00 N ATOM 313 CA GLY A 22 8.443 13.103 6.533 1.00 0.00 C ATOM 314 C GLY A 22 6.930 13.050 6.376 1.00 0.00 C ATOM 315 O GLY A 22 6.232 13.250 7.394 1.00 0.00 O ATOM 316 OXT GLY A 22 6.465 12.839 5.234 1.00 0.00 O ATOM 0 H GLY A 22 9.618 11.963 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.688 13.309 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.835 13.932 5.943 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 101 31.223 11.564 4.665 1.00 0.00 N ATOM 322 CA PHE B 101 30.176 12.607 4.801 1.00 0.00 C ATOM 323 C PHE B 101 29.951 13.350 3.480 1.00 0.00 C ATOM 324 O PHE B 101 30.704 13.173 2.522 1.00 0.00 O ATOM 325 CB PHE B 101 30.497 13.586 5.948 1.00 0.00 C ATOM 326 CG PHE B 101 30.336 12.959 7.317 1.00 0.00 C ATOM 327 CD1 PHE B 101 29.050 12.617 7.779 1.00 0.00 C ATOM 328 CD2 PHE B 101 31.457 12.706 8.128 1.00 0.00 C ATOM 329 CE1 PHE B 101 28.887 12.028 9.045 1.00 0.00 C ATOM 330 CE2 PHE B 101 31.297 12.113 9.394 1.00 0.00 C ATOM 331 CZ PHE B 101 30.009 11.776 9.851 1.00 0.00 C ATOM 0 HA PHE B 101 29.245 12.101 5.056 1.00 0.00 H new ATOM 0 HB2 PHE B 101 31.520 13.946 5.836 1.00 0.00 H new ATOM 0 HB3 PHE B 101 29.843 14.455 5.872 1.00 0.00 H new ATOM 0 HD1 PHE B 101 28.187 12.808 7.159 1.00 0.00 H new ATOM 0 HD2 PHE B 101 32.444 12.968 7.778 1.00 0.00 H new ATOM 0 HE1 PHE B 101 27.899 11.769 9.398 1.00 0.00 H new ATOM 0 HE2 PHE B 101 32.160 11.917 10.013 1.00 0.00 H new ATOM 0 HZ PHE B 101 29.883 11.323 10.823 1.00 0.00 H new ATOM 343 N VAL B 102 28.886 14.160 3.411 1.00 0.00 N ATOM 344 CA VAL B 102 28.521 14.951 2.216 1.00 0.00 C ATOM 345 C VAL B 102 29.524 16.080 1.929 1.00 0.00 C ATOM 346 O VAL B 102 30.295 16.474 2.807 1.00 0.00 O ATOM 347 CB VAL B 102 27.081 15.500 2.321 1.00 0.00 C ATOM 348 CG1 VAL B 102 26.071 14.384 2.625 1.00 0.00 C ATOM 349 CG2 VAL B 102 26.936 16.613 3.366 1.00 0.00 C ATOM 0 H VAL B 102 28.242 14.290 4.191 1.00 0.00 H new ATOM 0 HA VAL B 102 28.562 14.268 1.368 1.00 0.00 H new ATOM 0 HB VAL B 102 26.864 15.930 1.343 1.00 0.00 H new ATOM 0 HG11 VAL B 102 25.069 14.808 2.692 1.00 0.00 H new ATOM 0 HG12 VAL B 102 26.098 13.641 1.828 1.00 0.00 H new ATOM 0 HG13 VAL B 102 26.328 13.909 3.572 1.00 0.00 H new ATOM 0 HG21 VAL B 102 25.902 16.956 3.391 1.00 0.00 H new ATOM 0 HG22 VAL B 102 27.215 16.229 4.347 1.00 0.00 H new ATOM 0 HG23 VAL B 102 27.588 17.446 3.103 1.00 0.00 H new ATOM 359 N ASN B 103 29.504 16.616 0.705 1.00 0.00 N ATOM 360 CA ASN B 103 30.326 17.751 0.275 1.00 0.00 C ATOM 361 C ASN B 103 29.464 18.847 -0.381 1.00 0.00 C ATOM 362 O ASN B 103 28.402 18.556 -0.931 1.00 0.00 O ATOM 363 CB ASN B 103 31.444 17.229 -0.647 1.00 0.00 C ATOM 364 CG ASN B 103 32.560 18.233 -0.912 1.00 0.00 C ATOM 365 OD1 ASN B 103 32.687 19.269 -0.274 1.00 0.00 O ATOM 366 ND2 ASN B 103 33.417 17.952 -1.867 1.00 0.00 N ATOM 0 H ASN B 103 28.898 16.262 -0.035 1.00 0.00 H new ATOM 0 HA ASN B 103 30.792 18.226 1.139 1.00 0.00 H new ATOM 0 HB2 ASN B 103 31.876 16.332 -0.203 1.00 0.00 H new ATOM 0 HB3 ASN B 103 31.004 16.933 -1.599 1.00 0.00 H new ATOM 0 HD21 ASN B 103 34.181 18.596 -2.072 1.00 0.00 H new ATOM 0 HD22 ASN B 103 33.318 17.090 -2.404 1.00 0.00 H new ATOM 373 N GLN B 104 29.937 20.096 -0.314 1.00 0.00 N ATOM 374 CA GLN B 104 29.242 21.346 -0.670 1.00 0.00 C ATOM 375 C GLN B 104 27.839 21.517 -0.032 1.00 0.00 C ATOM 376 O GLN B 104 27.396 20.729 0.804 1.00 0.00 O ATOM 377 CB GLN B 104 29.320 21.635 -2.187 1.00 0.00 C ATOM 378 CG GLN B 104 28.419 20.778 -3.092 1.00 0.00 C ATOM 379 CD GLN B 104 28.392 21.318 -4.524 1.00 0.00 C ATOM 380 OE1 GLN B 104 27.495 22.045 -4.929 1.00 0.00 O ATOM 381 NE2 GLN B 104 29.381 21.005 -5.339 1.00 0.00 N ATOM 0 H GLN B 104 30.886 20.277 0.014 1.00 0.00 H new ATOM 0 HA GLN B 104 29.801 22.150 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN B 104 29.069 22.683 -2.349 1.00 0.00 H new ATOM 0 HB3 GLN B 104 30.353 21.501 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN B 104 28.778 19.749 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN B 104 27.406 20.761 -2.689 1.00 0.00 H new ATOM 0 HE21 GLN B 104 30.136 20.400 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN B 104 29.391 21.368 -6.292 1.00 0.00 H new ATOM 390 N HIS B 105 27.156 22.615 -0.361 1.00 0.00 N ATOM 391 CA HIS B 105 25.907 23.020 0.289 1.00 0.00 C ATOM 392 C HIS B 105 24.702 22.216 -0.219 1.00 0.00 C ATOM 393 O HIS B 105 24.420 22.179 -1.421 1.00 0.00 O ATOM 394 CB HIS B 105 25.726 24.536 0.114 1.00 0.00 C ATOM 395 CG HIS B 105 26.811 25.330 0.802 1.00 0.00 C ATOM 396 ND1 HIS B 105 26.782 25.760 2.107 1.00 0.00 N ATOM 397 CD2 HIS B 105 28.034 25.686 0.293 1.00 0.00 C ATOM 398 CE1 HIS B 105 27.956 26.344 2.391 1.00 0.00 C ATOM 399 NE2 HIS B 105 28.758 26.326 1.310 1.00 0.00 N ATOM 0 H HIS B 105 27.458 23.256 -1.095 1.00 0.00 H new ATOM 0 HA HIS B 105 25.967 22.797 1.354 1.00 0.00 H new ATOM 0 HB2 HIS B 105 25.721 24.778 -0.949 1.00 0.00 H new ATOM 0 HB3 HIS B 105 24.755 24.831 0.513 1.00 0.00 H new ATOM 0 HD1 HIS B 105 25.999 25.653 2.752 1.00 0.00 H new ATOM 0 HD2 HIS B 105 28.379 25.505 -0.714 1.00 0.00 H new ATOM 0 HE1 HIS B 105 28.220 26.768 3.349 1.00 0.00 H new ATOM 407 N LEU B 106 23.965 21.582 0.700 1.00 0.00 N ATOM 408 CA LEU B 106 22.732 20.837 0.415 1.00 0.00 C ATOM 409 C LEU B 106 21.525 21.733 0.721 1.00 0.00 C ATOM 410 O LEU B 106 20.990 21.745 1.827 1.00 0.00 O ATOM 411 CB LEU B 106 22.693 19.535 1.222 1.00 0.00 C ATOM 412 CG LEU B 106 23.415 18.315 0.631 1.00 0.00 C ATOM 413 CD1 LEU B 106 24.904 18.514 0.365 1.00 0.00 C ATOM 414 CD2 LEU B 106 23.291 17.168 1.636 1.00 0.00 C ATOM 0 H LEU B 106 24.216 21.572 1.689 1.00 0.00 H new ATOM 0 HA LEU B 106 22.701 20.560 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU B 106 23.119 19.735 2.205 1.00 0.00 H new ATOM 0 HB3 LEU B 106 21.648 19.266 1.377 1.00 0.00 H new ATOM 0 HG LEU B 106 22.943 18.121 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU B 106 25.325 17.599 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU B 106 25.041 19.331 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU B 106 25.412 18.755 1.299 1.00 0.00 H new ATOM 0 HD21 LEU B 106 23.795 16.285 1.244 1.00 0.00 H new ATOM 0 HD22 LEU B 106 23.752 17.460 2.580 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.238 16.941 1.801 1.00 0.00 H new ATOM 426 N CYS B 107 21.119 22.479 -0.297 1.00 0.00 N ATOM 427 CA CYS B 107 19.987 23.408 -0.289 1.00 0.00 C ATOM 428 C CYS B 107 18.910 22.956 -1.292 1.00 0.00 C ATOM 429 O CYS B 107 19.242 22.488 -2.386 1.00 0.00 O ATOM 430 CB CYS B 107 20.506 24.808 -0.641 1.00 0.00 C ATOM 431 SG CYS B 107 21.852 25.455 0.392 1.00 0.00 S ATOM 0 H CYS B 107 21.592 22.454 -1.200 1.00 0.00 H new ATOM 0 HA CYS B 107 19.528 23.425 0.699 1.00 0.00 H new ATOM 0 HB2 CYS B 107 20.846 24.796 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS B 107 19.670 25.505 -0.588 1.00 0.00 H new ATOM 436 N GLY B 108 17.627 23.124 -0.951 1.00 0.00 N ATOM 437 CA GLY B 108 16.494 22.865 -1.856 1.00 0.00 C ATOM 438 C GLY B 108 16.542 21.486 -2.526 1.00 0.00 C ATOM 439 O GLY B 108 16.662 20.461 -1.852 1.00 0.00 O ATOM 0 H GLY B 108 17.340 23.448 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY B 108 15.564 22.954 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY B 108 16.474 23.634 -2.628 1.00 0.00 H new ATOM 443 N SER B 109 16.510 21.457 -3.860 1.00 0.00 N ATOM 444 CA SER B 109 16.568 20.228 -4.665 1.00 0.00 C ATOM 445 C SER B 109 17.803 19.356 -4.384 1.00 0.00 C ATOM 446 O SER B 109 17.696 18.130 -4.442 1.00 0.00 O ATOM 447 CB SER B 109 16.537 20.571 -6.159 1.00 0.00 C ATOM 448 OG SER B 109 15.405 21.374 -6.462 1.00 0.00 O ATOM 0 H SER B 109 16.442 22.303 -4.426 1.00 0.00 H new ATOM 0 HA SER B 109 15.692 19.647 -4.377 1.00 0.00 H new ATOM 0 HB2 SER B 109 17.449 21.099 -6.436 1.00 0.00 H new ATOM 0 HB3 SER B 109 16.508 19.654 -6.748 1.00 0.00 H new ATOM 0 HG SER B 109 15.401 21.586 -7.419 1.00 0.00 H new ATOM 454 N HIS B 110 18.951 19.940 -4.009 1.00 0.00 N ATOM 455 CA HIS B 110 20.149 19.175 -3.645 1.00 0.00 C ATOM 456 C HIS B 110 20.001 18.462 -2.290 1.00 0.00 C ATOM 457 O HIS B 110 20.508 17.354 -2.125 1.00 0.00 O ATOM 458 CB HIS B 110 21.383 20.098 -3.662 1.00 0.00 C ATOM 459 CG HIS B 110 22.707 19.374 -3.573 1.00 0.00 C ATOM 460 ND1 HIS B 110 23.876 19.872 -3.038 1.00 0.00 N ATOM 461 CD2 HIS B 110 22.991 18.114 -4.037 1.00 0.00 C ATOM 462 CE1 HIS B 110 24.829 18.930 -3.151 1.00 0.00 C ATOM 463 NE2 HIS B 110 24.338 17.834 -3.757 1.00 0.00 N ATOM 0 H HIS B 110 19.073 20.951 -3.950 1.00 0.00 H new ATOM 0 HA HIS B 110 20.283 18.389 -4.389 1.00 0.00 H new ATOM 0 HB2 HIS B 110 21.367 20.689 -4.578 1.00 0.00 H new ATOM 0 HB3 HIS B 110 21.309 20.798 -2.830 1.00 0.00 H new ATOM 0 HD1 HIS B 110 23.997 20.797 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS B 110 22.297 17.451 -4.533 1.00 0.00 H new ATOM 0 HE1 HIS B 110 25.846 19.038 -2.804 1.00 0.00 H new ATOM 471 N LEU B 111 19.256 19.048 -1.341 1.00 0.00 N ATOM 472 CA LEU B 111 18.925 18.402 -0.067 1.00 0.00 C ATOM 473 C LEU B 111 17.917 17.256 -0.251 1.00 0.00 C ATOM 474 O LEU B 111 18.085 16.185 0.336 1.00 0.00 O ATOM 475 CB LEU B 111 18.396 19.465 0.917 1.00 0.00 C ATOM 476 CG LEU B 111 18.100 18.925 2.327 1.00 0.00 C ATOM 477 CD1 LEU B 111 19.309 18.238 2.956 1.00 0.00 C ATOM 478 CD2 LEU B 111 17.691 20.061 3.242 1.00 0.00 C ATOM 0 H LEU B 111 18.866 19.986 -1.438 1.00 0.00 H new ATOM 0 HA LEU B 111 19.829 17.952 0.343 1.00 0.00 H new ATOM 0 HB2 LEU B 111 19.128 20.269 0.994 1.00 0.00 H new ATOM 0 HB3 LEU B 111 17.485 19.901 0.508 1.00 0.00 H new ATOM 0 HG LEU B 111 17.298 18.195 2.215 1.00 0.00 H new ATOM 0 HD11 LEU B 111 19.045 17.876 3.950 1.00 0.00 H new ATOM 0 HD12 LEU B 111 19.615 17.398 2.333 1.00 0.00 H new ATOM 0 HD13 LEU B 111 20.131 18.949 3.035 1.00 0.00 H new ATOM 0 HD21 LEU B 111 17.483 19.669 4.238 1.00 0.00 H new ATOM 0 HD22 LEU B 111 18.499 20.790 3.300 1.00 0.00 H new ATOM 0 HD23 LEU B 111 16.796 20.542 2.847 1.00 0.00 H new ATOM 490 N VAL B 112 16.906 17.454 -1.103 1.00 0.00 N ATOM 491 CA VAL B 112 15.948 16.402 -1.487 1.00 0.00 C ATOM 492 C VAL B 112 16.683 15.243 -2.166 1.00 0.00 C ATOM 493 O VAL B 112 16.509 14.094 -1.769 1.00 0.00 O ATOM 494 CB VAL B 112 14.826 16.962 -2.387 1.00 0.00 C ATOM 495 CG1 VAL B 112 13.832 15.876 -2.821 1.00 0.00 C ATOM 496 CG2 VAL B 112 14.032 18.055 -1.658 1.00 0.00 C ATOM 0 H VAL B 112 16.725 18.353 -1.550 1.00 0.00 H new ATOM 0 HA VAL B 112 15.472 16.024 -0.582 1.00 0.00 H new ATOM 0 HB VAL B 112 15.323 17.369 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL B 112 13.062 16.319 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL B 112 14.359 15.103 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL B 112 13.368 15.434 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL B 112 13.247 18.433 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL B 112 13.582 17.638 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL B 112 14.702 18.871 -1.385 1.00 0.00 H new ATOM 506 N GLU B 113 17.564 15.532 -3.128 1.00 0.00 N ATOM 507 CA GLU B 113 18.396 14.520 -3.791 1.00 0.00 C ATOM 508 C GLU B 113 19.286 13.769 -2.788 1.00 0.00 C ATOM 509 O GLU B 113 19.327 12.541 -2.812 1.00 0.00 O ATOM 510 CB GLU B 113 19.221 15.196 -4.897 1.00 0.00 C ATOM 511 CG GLU B 113 20.069 14.201 -5.697 1.00 0.00 C ATOM 512 CD GLU B 113 20.708 14.886 -6.920 1.00 0.00 C ATOM 513 OE1 GLU B 113 21.723 15.604 -6.755 1.00 0.00 O ATOM 514 OE2 GLU B 113 20.205 14.705 -8.056 1.00 0.00 O ATOM 0 H GLU B 113 17.722 16.479 -3.472 1.00 0.00 H new ATOM 0 HA GLU B 113 17.750 13.767 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU B 113 18.549 15.722 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU B 113 19.874 15.946 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU B 113 20.849 13.785 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU B 113 19.447 13.368 -6.025 1.00 0.00 H new ATOM 521 N ALA B 114 19.935 14.474 -1.852 1.00 0.00 N ATOM 522 CA ALA B 114 20.776 13.847 -0.838 1.00 0.00 C ATOM 523 C ALA B 114 20.000 12.908 0.103 1.00 0.00 C ATOM 524 O ALA B 114 20.464 11.795 0.354 1.00 0.00 O ATOM 525 CB ALA B 114 21.503 14.948 -0.070 1.00 0.00 C ATOM 0 H ALA B 114 19.889 15.490 -1.781 1.00 0.00 H new ATOM 0 HA ALA B 114 21.497 13.201 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA B 114 22.138 14.500 0.694 1.00 0.00 H new ATOM 0 HB2 ALA B 114 22.118 15.527 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA B 114 20.773 15.604 0.404 1.00 0.00 H new ATOM 531 N LEU B 115 18.800 13.276 0.582 1.00 0.00 N ATOM 532 CA LEU B 115 18.008 12.371 1.432 1.00 0.00 C ATOM 533 C LEU B 115 17.411 11.201 0.630 1.00 0.00 C ATOM 534 O LEU B 115 17.354 10.085 1.143 1.00 0.00 O ATOM 535 CB LEU B 115 17.028 13.145 2.342 1.00 0.00 C ATOM 536 CG LEU B 115 15.818 13.827 1.684 1.00 0.00 C ATOM 537 CD1 LEU B 115 14.639 12.877 1.446 1.00 0.00 C ATOM 538 CD2 LEU B 115 15.300 14.964 2.562 1.00 0.00 C ATOM 0 H LEU B 115 18.362 14.179 0.399 1.00 0.00 H new ATOM 0 HA LEU B 115 18.678 11.879 2.137 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.652 12.451 3.094 1.00 0.00 H new ATOM 0 HB3 LEU B 115 17.596 13.911 2.870 1.00 0.00 H new ATOM 0 HG LEU B 115 16.182 14.189 0.722 1.00 0.00 H new ATOM 0 HD11 LEU B 115 13.820 13.424 0.979 1.00 0.00 H new ATOM 0 HD12 LEU B 115 14.953 12.065 0.791 1.00 0.00 H new ATOM 0 HD13 LEU B 115 14.305 12.466 2.399 1.00 0.00 H new ATOM 0 HD21 LEU B 115 14.443 15.435 2.080 1.00 0.00 H new ATOM 0 HD22 LEU B 115 14.998 14.567 3.531 1.00 0.00 H new ATOM 0 HD23 LEU B 115 16.089 15.703 2.703 1.00 0.00 H new ATOM 550 N TYR B 116 17.092 11.395 -0.654 1.00 0.00 N ATOM 551 CA TYR B 116 16.705 10.306 -1.565 1.00 0.00 C ATOM 552 C TYR B 116 17.865 9.364 -1.950 1.00 0.00 C ATOM 553 O TYR B 116 17.608 8.260 -2.433 1.00 0.00 O ATOM 554 CB TYR B 116 16.021 10.879 -2.817 1.00 0.00 C ATOM 555 CG TYR B 116 14.501 10.907 -2.746 1.00 0.00 C ATOM 556 CD1 TYR B 116 13.772 9.746 -3.069 1.00 0.00 C ATOM 557 CD2 TYR B 116 13.816 12.084 -2.388 1.00 0.00 C ATOM 558 CE1 TYR B 116 12.364 9.766 -3.062 1.00 0.00 C ATOM 559 CE2 TYR B 116 12.407 12.111 -2.382 1.00 0.00 C ATOM 560 CZ TYR B 116 11.676 10.957 -2.734 1.00 0.00 C ATOM 561 OH TYR B 116 10.315 10.994 -2.744 1.00 0.00 O ATOM 0 H TYR B 116 17.094 12.315 -1.095 1.00 0.00 H new ATOM 0 HA TYR B 116 15.999 9.684 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR B 116 16.384 11.894 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR B 116 16.321 10.288 -3.683 1.00 0.00 H new ATOM 0 HD1 TYR B 116 14.295 8.836 -3.323 1.00 0.00 H new ATOM 0 HD2 TYR B 116 14.372 12.969 -2.117 1.00 0.00 H new ATOM 0 HE1 TYR B 116 11.810 8.872 -3.307 1.00 0.00 H new ATOM 0 HE2 TYR B 116 11.886 13.016 -2.108 1.00 0.00 H new ATOM 0 HH TYR B 116 10.010 11.891 -2.493 1.00 0.00 H new ATOM 571 N LEU B 117 19.123 9.750 -1.715 1.00 0.00 N ATOM 572 CA LEU B 117 20.308 8.894 -1.892 1.00 0.00 C ATOM 573 C LEU B 117 20.742 8.203 -0.591 1.00 0.00 C ATOM 574 O LEU B 117 21.099 7.025 -0.611 1.00 0.00 O ATOM 575 CB LEU B 117 21.455 9.734 -2.487 1.00 0.00 C ATOM 576 CG LEU B 117 21.273 10.105 -3.972 1.00 0.00 C ATOM 577 CD1 LEU B 117 22.315 11.150 -4.373 1.00 0.00 C ATOM 578 CD2 LEU B 117 21.435 8.894 -4.901 1.00 0.00 C ATOM 0 H LEU B 117 19.355 10.688 -1.389 1.00 0.00 H new ATOM 0 HA LEU B 117 20.045 8.092 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU B 117 21.556 10.651 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU B 117 22.388 9.182 -2.375 1.00 0.00 H new ATOM 0 HG LEU B 117 20.260 10.493 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU B 117 22.184 11.410 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU B 117 22.190 12.042 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU B 117 23.315 10.743 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU B 117 21.298 9.208 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU B 117 22.433 8.473 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU B 117 20.690 8.140 -4.649 1.00 0.00 H new ATOM 590 N VAL B 118 20.685 8.910 0.543 1.00 0.00 N ATOM 591 CA VAL B 118 21.147 8.407 1.855 1.00 0.00 C ATOM 592 C VAL B 118 20.074 7.566 2.567 1.00 0.00 C ATOM 593 O VAL B 118 20.403 6.560 3.197 1.00 0.00 O ATOM 594 CB VAL B 118 21.662 9.571 2.729 1.00 0.00 C ATOM 595 CG1 VAL B 118 22.076 9.120 4.131 1.00 0.00 C ATOM 596 CG2 VAL B 118 22.900 10.201 2.080 1.00 0.00 C ATOM 0 H VAL B 118 20.314 9.859 0.583 1.00 0.00 H new ATOM 0 HA VAL B 118 21.983 7.730 1.679 1.00 0.00 H new ATOM 0 HB VAL B 118 20.836 10.278 2.810 1.00 0.00 H new ATOM 0 HG11 VAL B 118 22.430 9.980 4.700 1.00 0.00 H new ATOM 0 HG12 VAL B 118 21.219 8.676 4.638 1.00 0.00 H new ATOM 0 HG13 VAL B 118 22.875 8.382 4.055 1.00 0.00 H new ATOM 0 HG21 VAL B 118 23.259 11.022 2.701 1.00 0.00 H new ATOM 0 HG22 VAL B 118 23.683 9.449 1.984 1.00 0.00 H new ATOM 0 HG23 VAL B 118 22.639 10.581 1.092 1.00 0.00 H new ATOM 606 N CYS B 119 18.797 7.926 2.421 1.00 0.00 N ATOM 607 CA CYS B 119 17.647 7.184 2.959 1.00 0.00 C ATOM 608 C CYS B 119 16.842 6.433 1.868 1.00 0.00 C ATOM 609 O CYS B 119 15.932 5.659 2.175 1.00 0.00 O ATOM 610 CB CYS B 119 16.802 8.178 3.761 1.00 0.00 C ATOM 611 SG CYS B 119 15.446 7.458 4.712 1.00 0.00 S ATOM 0 H CYS B 119 18.523 8.766 1.911 1.00 0.00 H new ATOM 0 HA CYS B 119 17.993 6.383 3.613 1.00 0.00 H new ATOM 0 HB2 CYS B 119 17.458 8.715 4.446 1.00 0.00 H new ATOM 0 HB3 CYS B 119 16.388 8.915 3.072 1.00 0.00 H new ATOM 616 N GLY B 120 17.193 6.611 0.589 1.00 0.00 N ATOM 617 CA GLY B 120 16.599 5.876 -0.530 1.00 0.00 C ATOM 618 C GLY B 120 15.162 6.290 -0.865 1.00 0.00 C ATOM 619 O GLY B 120 14.765 7.446 -0.720 1.00 0.00 O ATOM 0 H GLY B 120 17.907 7.279 0.300 1.00 0.00 H new ATOM 0 HA2 GLY B 120 17.221 6.018 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY B 120 16.613 4.811 -0.298 1.00 0.00 H new ATOM 623 N GLU B 121 14.370 5.310 -1.299 1.00 0.00 N ATOM 624 CA GLU B 121 13.002 5.446 -1.831 1.00 0.00 C ATOM 625 C GLU B 121 11.990 6.132 -0.882 1.00 0.00 C ATOM 626 O GLU B 121 10.995 6.693 -1.348 1.00 0.00 O ATOM 627 CB GLU B 121 12.546 4.010 -2.159 1.00 0.00 C ATOM 628 CG GLU B 121 11.175 3.872 -2.837 1.00 0.00 C ATOM 629 CD GLU B 121 10.776 2.389 -2.929 1.00 0.00 C ATOM 630 OE1 GLU B 121 10.335 1.829 -1.892 1.00 0.00 O ATOM 631 OE2 GLU B 121 10.888 1.784 -4.024 1.00 0.00 O ATOM 0 H GLU B 121 14.679 4.338 -1.291 1.00 0.00 H new ATOM 0 HA GLU B 121 13.027 6.107 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU B 121 13.295 3.552 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU B 121 12.529 3.436 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU B 121 10.424 4.424 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU B 121 11.209 4.310 -3.835 1.00 0.00 H new ATOM 638 N ARG B 122 12.233 6.105 0.439 1.00 0.00 N ATOM 639 CA ARG B 122 11.258 6.519 1.469 1.00 0.00 C ATOM 640 C ARG B 122 10.836 7.993 1.391 1.00 0.00 C ATOM 641 O ARG B 122 9.683 8.291 1.702 1.00 0.00 O ATOM 642 CB ARG B 122 11.798 6.166 2.873 1.00 0.00 C ATOM 643 CG ARG B 122 12.083 4.667 3.117 1.00 0.00 C ATOM 644 CD ARG B 122 10.849 3.786 3.393 1.00 0.00 C ATOM 645 NE ARG B 122 9.877 3.736 2.281 1.00 0.00 N ATOM 646 CZ ARG B 122 9.990 3.103 1.126 1.00 0.00 C ATOM 647 NH1 ARG B 122 11.011 2.370 0.799 1.00 0.00 N ATOM 648 NH2 ARG B 122 9.060 3.184 0.223 1.00 0.00 N ATOM 0 H ARG B 122 13.122 5.792 0.829 1.00 0.00 H new ATOM 0 HA ARG B 122 10.345 5.958 1.269 1.00 0.00 H new ATOM 0 HB2 ARG B 122 12.718 6.725 3.041 1.00 0.00 H new ATOM 0 HB3 ARG B 122 11.078 6.507 3.617 1.00 0.00 H new ATOM 0 HG2 ARG B 122 12.603 4.269 2.246 1.00 0.00 H new ATOM 0 HG3 ARG B 122 12.765 4.579 3.963 1.00 0.00 H new ATOM 0 HD2 ARG B 122 11.183 2.772 3.614 1.00 0.00 H new ATOM 0 HD3 ARG B 122 10.344 4.157 4.285 1.00 0.00 H new ATOM 0 HE ARG B 122 9.010 4.255 2.422 1.00 0.00 H new ATOM 0 HH11 ARG B 122 11.787 2.257 1.451 1.00 0.00 H new ATOM 0 HH12 ARG B 122 11.037 1.907 -0.110 1.00 0.00 H new ATOM 0 HH21 ARG B 122 8.225 3.743 0.399 1.00 0.00 H new ATOM 0 HH22 ARG B 122 9.164 2.689 -0.663 1.00 0.00 H new ATOM 662 N GLY B 123 11.725 8.889 0.949 1.00 0.00 N ATOM 663 CA GLY B 123 11.401 10.291 0.640 1.00 0.00 C ATOM 664 C GLY B 123 10.658 11.034 1.757 1.00 0.00 C ATOM 665 O GLY B 123 10.969 10.862 2.937 1.00 0.00 O ATOM 0 H GLY B 123 12.706 8.659 0.793 1.00 0.00 H new ATOM 0 HA2 GLY B 123 12.326 10.824 0.419 1.00 0.00 H new ATOM 0 HA3 GLY B 123 10.793 10.319 -0.264 1.00 0.00 H new ATOM 669 N PHE B 124 9.667 11.847 1.392 1.00 0.00 N ATOM 670 CA PHE B 124 8.702 12.481 2.305 1.00 0.00 C ATOM 671 C PHE B 124 7.366 12.740 1.586 1.00 0.00 C ATOM 672 O PHE B 124 7.317 12.797 0.351 1.00 0.00 O ATOM 673 CB PHE B 124 9.286 13.775 2.896 1.00 0.00 C ATOM 674 CG PHE B 124 9.792 14.782 1.880 1.00 0.00 C ATOM 675 CD1 PHE B 124 8.906 15.686 1.261 1.00 0.00 C ATOM 676 CD2 PHE B 124 11.158 14.810 1.545 1.00 0.00 C ATOM 677 CE1 PHE B 124 9.381 16.598 0.302 1.00 0.00 C ATOM 678 CE2 PHE B 124 11.631 15.725 0.587 1.00 0.00 C ATOM 679 CZ PHE B 124 10.745 16.613 -0.042 1.00 0.00 C ATOM 0 H PHE B 124 9.504 12.095 0.416 1.00 0.00 H new ATOM 0 HA PHE B 124 8.505 11.799 3.133 1.00 0.00 H new ATOM 0 HB2 PHE B 124 8.521 14.254 3.507 1.00 0.00 H new ATOM 0 HB3 PHE B 124 10.107 13.512 3.562 1.00 0.00 H new ATOM 0 HD1 PHE B 124 7.859 15.678 1.524 1.00 0.00 H new ATOM 0 HD2 PHE B 124 11.845 14.128 2.024 1.00 0.00 H new ATOM 0 HE1 PHE B 124 8.698 17.288 -0.171 1.00 0.00 H new ATOM 0 HE2 PHE B 124 12.681 15.744 0.334 1.00 0.00 H new ATOM 0 HZ PHE B 124 11.109 17.305 -0.787 1.00 0.00 H new ATOM 689 N PHE B 125 6.274 12.898 2.342 1.00 0.00 N ATOM 690 CA PHE B 125 4.938 13.169 1.796 1.00 0.00 C ATOM 691 C PHE B 125 4.677 14.678 1.610 1.00 0.00 C ATOM 692 O PHE B 125 5.301 15.520 2.262 1.00 0.00 O ATOM 693 CB PHE B 125 3.886 12.480 2.678 1.00 0.00 C ATOM 694 CG PHE B 125 2.473 12.538 2.129 1.00 0.00 C ATOM 695 CD1 PHE B 125 2.164 11.959 0.881 1.00 0.00 C ATOM 696 CD2 PHE B 125 1.456 13.189 2.855 1.00 0.00 C ATOM 697 CE1 PHE B 125 0.865 12.056 0.356 1.00 0.00 C ATOM 698 CE2 PHE B 125 0.156 13.289 2.328 1.00 0.00 C ATOM 699 CZ PHE B 125 -0.137 12.724 1.078 1.00 0.00 C ATOM 0 H PHE B 125 6.292 12.841 3.360 1.00 0.00 H new ATOM 0 HA PHE B 125 4.870 12.749 0.792 1.00 0.00 H new ATOM 0 HB2 PHE B 125 4.169 11.436 2.811 1.00 0.00 H new ATOM 0 HB3 PHE B 125 3.898 12.942 3.665 1.00 0.00 H new ATOM 0 HD1 PHE B 125 2.930 11.438 0.326 1.00 0.00 H new ATOM 0 HD2 PHE B 125 1.676 13.614 3.823 1.00 0.00 H new ATOM 0 HE1 PHE B 125 0.637 11.616 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE B 125 -0.616 13.800 2.885 1.00 0.00 H new ATOM 0 HZ PHE B 125 -1.134 12.803 0.671 1.00 0.00 H new ATOM 709 N TYR B 126 3.738 15.032 0.720 1.00 0.00 N ATOM 710 CA TYR B 126 3.435 16.419 0.325 1.00 0.00 C ATOM 711 C TYR B 126 2.880 17.292 1.466 1.00 0.00 C ATOM 712 O TYR B 126 3.022 18.516 1.428 1.00 0.00 O ATOM 713 CB TYR B 126 2.454 16.398 -0.855 1.00 0.00 C ATOM 714 CG TYR B 126 2.940 15.597 -2.052 1.00 0.00 C ATOM 715 CD1 TYR B 126 3.974 16.104 -2.864 1.00 0.00 C ATOM 716 CD2 TYR B 126 2.365 14.345 -2.348 1.00 0.00 C ATOM 717 CE1 TYR B 126 4.441 15.360 -3.965 1.00 0.00 C ATOM 718 CE2 TYR B 126 2.829 13.599 -3.447 1.00 0.00 C ATOM 719 CZ TYR B 126 3.872 14.102 -4.258 1.00 0.00 C ATOM 720 OH TYR B 126 4.313 13.372 -5.322 1.00 0.00 O ATOM 0 H TYR B 126 3.153 14.346 0.242 1.00 0.00 H new ATOM 0 HA TYR B 126 4.380 16.881 0.039 1.00 0.00 H new ATOM 0 HB2 TYR B 126 1.504 15.985 -0.516 1.00 0.00 H new ATOM 0 HB3 TYR B 126 2.261 17.423 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR B 126 4.410 17.067 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR B 126 1.568 13.958 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR B 126 5.234 15.752 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR B 126 2.387 12.639 -3.672 1.00 0.00 H new ATOM 0 HH TYR B 126 3.810 12.532 -5.373 1.00 0.00 H new ATOM 730 N THR B 127 2.292 16.669 2.493 1.00 0.00 N ATOM 731 CA THR B 127 1.879 17.307 3.754 1.00 0.00 C ATOM 732 C THR B 127 2.482 16.506 4.920 1.00 0.00 C ATOM 733 O THR B 127 1.869 15.529 5.362 1.00 0.00 O ATOM 734 CB THR B 127 0.342 17.392 3.860 1.00 0.00 C ATOM 735 OG1 THR B 127 -0.210 18.030 2.723 1.00 0.00 O ATOM 736 CG2 THR B 127 -0.111 18.198 5.080 1.00 0.00 C ATOM 0 H THR B 127 2.082 15.671 2.471 1.00 0.00 H new ATOM 0 HA THR B 127 2.248 18.332 3.788 1.00 0.00 H new ATOM 0 HB THR B 127 -0.005 16.362 3.944 1.00 0.00 H new ATOM 0 HG1 THR B 127 -1.185 18.071 2.812 1.00 0.00 H new ATOM 0 HG21 THR B 127 -1.200 18.229 5.111 1.00 0.00 H new ATOM 0 HG22 THR B 127 0.265 17.726 5.988 1.00 0.00 H new ATOM 0 HG23 THR B 127 0.279 19.213 5.011 1.00 0.00 H new ATOM 744 N PRO B 128 3.700 16.846 5.393 1.00 0.00 N ATOM 745 CA PRO B 128 4.446 16.040 6.357 1.00 0.00 C ATOM 746 C PRO B 128 3.675 15.712 7.645 1.00 0.00 C ATOM 747 O PRO B 128 2.941 16.545 8.188 1.00 0.00 O ATOM 748 CB PRO B 128 5.738 16.812 6.640 1.00 0.00 C ATOM 749 CG PRO B 128 5.978 17.544 5.321 1.00 0.00 C ATOM 750 CD PRO B 128 4.559 17.905 4.876 1.00 0.00 C ATOM 0 HA PRO B 128 4.643 15.056 5.932 1.00 0.00 H new ATOM 0 HB2 PRO B 128 5.623 17.504 7.474 1.00 0.00 H new ATOM 0 HB3 PRO B 128 6.563 16.145 6.891 1.00 0.00 H new ATOM 0 HG2 PRO B 128 6.598 18.430 5.456 1.00 0.00 H new ATOM 0 HG3 PRO B 128 6.483 16.910 4.592 1.00 0.00 H new ATOM 0 HD2 PRO B 128 4.261 18.877 5.269 1.00 0.00 H new ATOM 0 HD3 PRO B 128 4.493 17.967 3.790 1.00 0.00 H new ATOM 758 N LYS B 129 3.876 14.486 8.141 1.00 0.00 N ATOM 759 CA LYS B 129 3.223 13.893 9.321 1.00 0.00 C ATOM 760 C LYS B 129 4.186 13.684 10.498 1.00 0.00 C ATOM 761 O LYS B 129 3.738 13.522 11.636 1.00 0.00 O ATOM 762 CB LYS B 129 2.550 12.570 8.912 1.00 0.00 C ATOM 763 CG LYS B 129 1.505 12.747 7.797 1.00 0.00 C ATOM 764 CD LYS B 129 0.819 11.416 7.462 1.00 0.00 C ATOM 765 CE LYS B 129 -0.177 11.618 6.314 1.00 0.00 C ATOM 766 NZ LYS B 129 -0.868 10.349 5.958 1.00 0.00 N ATOM 0 H LYS B 129 4.536 13.841 7.707 1.00 0.00 H new ATOM 0 HA LYS B 129 2.471 14.597 9.677 1.00 0.00 H new ATOM 0 HB2 LYS B 129 3.314 11.868 8.578 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.070 12.128 9.785 1.00 0.00 H new ATOM 0 HG2 LYS B 129 0.757 13.476 8.109 1.00 0.00 H new ATOM 0 HG3 LYS B 129 1.986 13.146 6.904 1.00 0.00 H new ATOM 0 HD2 LYS B 129 1.565 10.673 7.181 1.00 0.00 H new ATOM 0 HD3 LYS B 129 0.301 11.032 8.341 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -0.915 12.367 6.600 1.00 0.00 H new ATOM 0 HE3 LYS B 129 0.348 12.005 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -1.534 10.523 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -0.165 9.642 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -1.389 9.993 6.785 1.00 0.00 H new ATOM 780 N THR B 130 5.497 13.709 10.244 1.00 0.00 N ATOM 781 CA THR B 130 6.553 13.644 11.274 1.00 0.00 C ATOM 782 C THR B 130 6.544 14.865 12.215 1.00 0.00 C ATOM 783 O THR B 130 6.020 15.930 11.872 1.00 0.00 O ATOM 784 CB THR B 130 7.933 13.437 10.623 1.00 0.00 C ATOM 785 OG1 THR B 130 8.849 13.015 11.606 1.00 0.00 O ATOM 786 CG2 THR B 130 8.504 14.687 9.950 1.00 0.00 C ATOM 0 H THR B 130 5.869 13.776 9.297 1.00 0.00 H new ATOM 0 HA THR B 130 6.337 12.780 11.902 1.00 0.00 H new ATOM 0 HB THR B 130 7.787 12.690 9.843 1.00 0.00 H new ATOM 0 HG1 THR B 130 9.729 12.880 11.197 1.00 0.00 H new ATOM 0 HG21 THR B 130 9.477 14.455 9.517 1.00 0.00 H new ATOM 0 HG22 THR B 130 7.826 15.018 9.163 1.00 0.00 H new ATOM 0 HG23 THR B 130 8.616 15.480 10.690 1.00 0.00 H new ATOM 794 N ARG B 131 7.129 14.710 13.411 1.00 0.00 N ATOM 795 CA ARG B 131 7.241 15.735 14.468 1.00 0.00 C ATOM 796 C ARG B 131 8.570 15.614 15.231 1.00 0.00 C ATOM 797 O ARG B 131 9.290 16.634 15.322 1.00 0.00 O ATOM 798 CB ARG B 131 6.016 15.633 15.403 1.00 0.00 C ATOM 799 CG ARG B 131 5.960 16.703 16.508 1.00 0.00 C ATOM 800 CD ARG B 131 5.848 18.132 15.952 1.00 0.00 C ATOM 801 NE ARG B 131 5.697 19.123 17.031 1.00 0.00 N ATOM 802 CZ ARG B 131 5.514 20.422 16.885 1.00 0.00 C ATOM 803 NH1 ARG B 131 5.448 20.991 15.714 1.00 0.00 N ATOM 804 NH2 ARG B 131 5.390 21.190 17.928 1.00 0.00 N ATOM 805 OXT ARG B 131 8.885 14.507 15.728 1.00 0.00 O ATOM 0 H ARG B 131 7.558 13.826 13.684 1.00 0.00 H new ATOM 0 HA ARG B 131 7.246 16.725 14.012 1.00 0.00 H new ATOM 0 HB2 ARG B 131 5.110 15.704 14.801 1.00 0.00 H new ATOM 0 HB3 ARG B 131 6.013 14.648 15.869 1.00 0.00 H new ATOM 0 HG2 ARG B 131 5.108 16.503 17.157 1.00 0.00 H new ATOM 0 HG3 ARG B 131 6.855 16.628 17.125 1.00 0.00 H new ATOM 0 HD2 ARG B 131 6.736 18.365 15.365 1.00 0.00 H new ATOM 0 HD3 ARG B 131 4.994 18.195 15.277 1.00 0.00 H new ATOM 0 HE ARG B 131 5.738 18.770 17.987 1.00 0.00 H new ATOM 0 HH11 ARG B 131 5.539 20.429 14.868 1.00 0.00 H new ATOM 0 HH12 ARG B 131 5.305 21.999 15.644 1.00 0.00 H new ATOM 0 HH21 ARG B 131 5.434 20.789 18.865 1.00 0.00 H new ATOM 0 HH22 ARG B 131 5.249 22.193 17.809 1.00 0.00 H new TER 819 ARG B 131