USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 338 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 47 CYS SG : rot -51:sc= 1.33 USER MOD Set 1.2: A 48 THR OG1 : rot 41:sc= -0.148 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.48 K(o=-2.2,f=-7.2!) USER MOD Set 2.2: A 11 GLN : amide:sc= -0.741 K(o=-2.2,f=-3.9) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0093) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 79:sc= 0.931 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.21) USER MOD Single : A 40 SER OG : rot 140:sc= -0.447 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -6.69! C(o=-6.7!,f=-16!) USER MOD Single : A 50 LYS NZ :NH3+ 140:sc= -5.75 (180deg=-13.5!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 11.072 -11.742 9.300 1.00 0.00 N ATOM 86 CA VAL A 6 11.473 -12.909 10.067 1.00 0.00 C ATOM 87 C VAL A 6 12.829 -12.641 10.723 1.00 0.00 C ATOM 88 O VAL A 6 12.978 -12.790 11.935 1.00 0.00 O ATOM 89 CB VAL A 6 11.478 -14.149 9.171 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.134 -15.335 9.879 1.00 0.00 C ATOM 91 CG2 VAL A 6 10.060 -14.499 8.712 1.00 0.00 C ATOM 0 HA VAL A 6 10.757 -13.105 10.866 1.00 0.00 H new ATOM 0 HB VAL A 6 12.070 -13.920 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.124 -16.203 9.220 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.164 -15.083 10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.582 -15.565 10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.091 -15.384 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.435 -14.699 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.643 -13.663 8.150 1.00 0.00 H new ATOM 101 N ILE A 7 13.785 -12.248 9.892 1.00 0.00 N ATOM 102 CA ILE A 7 15.124 -11.958 10.377 1.00 0.00 C ATOM 103 C ILE A 7 15.185 -10.505 10.853 1.00 0.00 C ATOM 104 O ILE A 7 16.012 -10.158 11.694 1.00 0.00 O ATOM 105 CB ILE A 7 16.165 -12.299 9.309 1.00 0.00 C ATOM 106 CG1 ILE A 7 16.168 -13.799 9.007 1.00 0.00 C ATOM 107 CG2 ILE A 7 17.552 -11.794 9.715 1.00 0.00 C ATOM 108 CD1 ILE A 7 15.825 -14.062 7.539 1.00 0.00 C ATOM 0 H ILE A 7 13.659 -12.124 8.887 1.00 0.00 H new ATOM 0 HA ILE A 7 15.363 -12.586 11.235 1.00 0.00 H new ATOM 0 HB ILE A 7 15.891 -11.785 8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 7 17.148 -14.218 9.236 1.00 0.00 H new ATOM 0 HG13 ILE A 7 15.447 -14.305 9.649 1.00 0.00 H new ATOM 0 HG21 ILE A 7 18.274 -12.049 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.523 -10.712 9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.849 -12.261 10.654 1.00 0.00 H new ATOM 0 HD11 ILE A 7 15.834 -15.135 7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.835 -13.663 7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.562 -13.575 6.900 1.00 0.00 H new ATOM 119 N GLN A 8 14.299 -9.694 10.293 1.00 0.00 N ATOM 120 CA GLN A 8 14.241 -8.287 10.650 1.00 0.00 C ATOM 121 C GLN A 8 13.754 -8.124 12.091 1.00 0.00 C ATOM 122 O GLN A 8 14.392 -7.445 12.892 1.00 0.00 O ATOM 123 CB GLN A 8 13.350 -7.511 9.678 1.00 0.00 C ATOM 124 CG GLN A 8 14.188 -6.624 8.755 1.00 0.00 C ATOM 125 CD GLN A 8 15.176 -7.459 7.939 1.00 0.00 C ATOM 126 OE1 GLN A 8 15.981 -8.208 8.469 1.00 0.00 O ATOM 127 NE2 GLN A 8 15.071 -7.290 6.624 1.00 0.00 N ATOM 0 H GLN A 8 13.615 -9.985 9.594 1.00 0.00 H new ATOM 0 HA GLN A 8 15.247 -7.873 10.579 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.762 -8.209 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.645 -6.896 10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.532 -6.071 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.731 -5.888 9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.375 -6.647 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.686 -7.803 5.993 1.00 0.00 H new ATOM 134 N ALA A 9 12.626 -8.759 12.375 1.00 0.00 N ATOM 135 CA ALA A 9 12.045 -8.693 13.705 1.00 0.00 C ATOM 136 C ALA A 9 13.048 -9.241 14.723 1.00 0.00 C ATOM 137 O ALA A 9 13.373 -8.571 15.702 1.00 0.00 O ATOM 138 CB ALA A 9 10.720 -9.458 13.723 1.00 0.00 C ATOM 0 H ALA A 9 12.099 -9.321 11.707 1.00 0.00 H new ATOM 0 HA ALA A 9 11.829 -7.660 13.978 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.285 -9.408 14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.032 -9.012 13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.898 -10.500 13.456 1.00 0.00 H new ATOM 144 N ILE A 10 13.509 -10.453 14.456 1.00 0.00 N ATOM 145 CA ILE A 10 14.468 -11.099 15.336 1.00 0.00 C ATOM 146 C ILE A 10 15.711 -10.215 15.466 1.00 0.00 C ATOM 147 O ILE A 10 16.450 -10.317 16.444 1.00 0.00 O ATOM 148 CB ILE A 10 14.771 -12.517 14.851 1.00 0.00 C ATOM 149 CG1 ILE A 10 13.522 -13.399 14.921 1.00 0.00 C ATOM 150 CG2 ILE A 10 15.944 -13.124 15.624 1.00 0.00 C ATOM 151 CD1 ILE A 10 13.078 -13.608 16.370 1.00 0.00 C ATOM 0 H ILE A 10 13.237 -11.005 13.643 1.00 0.00 H new ATOM 0 HA ILE A 10 14.050 -11.212 16.336 1.00 0.00 H new ATOM 0 HB ILE A 10 15.070 -12.462 13.804 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.714 -12.938 14.353 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.727 -14.364 14.457 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.138 -14.132 15.259 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.832 -12.509 15.480 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.699 -13.164 16.685 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.189 -14.238 16.391 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.879 -14.092 16.930 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.850 -12.643 16.823 1.00 0.00 H new ATOM 162 N GLN A 11 15.903 -9.368 14.464 1.00 0.00 N ATOM 163 CA GLN A 11 17.043 -8.468 14.453 1.00 0.00 C ATOM 164 C GLN A 11 16.821 -7.319 15.439 1.00 0.00 C ATOM 165 O GLN A 11 17.765 -6.847 16.071 1.00 0.00 O ATOM 166 CB GLN A 11 17.309 -7.938 13.043 1.00 0.00 C ATOM 167 CG GLN A 11 18.537 -8.609 12.428 1.00 0.00 C ATOM 168 CD GLN A 11 18.556 -8.431 10.908 1.00 0.00 C ATOM 169 OE1 GLN A 11 17.789 -7.674 10.336 1.00 0.00 O ATOM 170 NE2 GLN A 11 19.475 -9.167 10.288 1.00 0.00 N ATOM 0 H GLN A 11 15.288 -9.287 13.655 1.00 0.00 H new ATOM 0 HA GLN A 11 17.925 -9.025 14.768 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.438 -8.118 12.413 1.00 0.00 H new ATOM 0 HB3 GLN A 11 17.459 -6.859 13.079 1.00 0.00 H new ATOM 0 HG2 GLN A 11 19.443 -8.183 12.859 1.00 0.00 H new ATOM 0 HG3 GLN A 11 18.537 -9.671 12.673 1.00 0.00 H new ATOM 0 HE21 GLN A 11 20.086 -9.781 10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 11 19.569 -9.117 9.274 1.00 0.00 H new ATOM 177 N LYS A 12 15.567 -6.902 15.540 1.00 0.00 N ATOM 178 CA LYS A 12 15.209 -5.816 16.437 1.00 0.00 C ATOM 179 C LYS A 12 15.312 -6.304 17.884 1.00 0.00 C ATOM 180 O LYS A 12 15.746 -5.561 18.764 1.00 0.00 O ATOM 181 CB LYS A 12 13.835 -5.252 16.074 1.00 0.00 C ATOM 182 CG LYS A 12 13.925 -4.331 14.855 1.00 0.00 C ATOM 183 CD LYS A 12 13.316 -4.998 13.619 1.00 0.00 C ATOM 184 CE LYS A 12 12.125 -4.194 13.094 1.00 0.00 C ATOM 185 NZ LYS A 12 12.167 -4.111 11.617 1.00 0.00 N ATOM 0 H LYS A 12 14.786 -7.297 15.015 1.00 0.00 H new ATOM 0 HA LYS A 12 15.906 -4.985 16.329 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.145 -6.070 15.866 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.429 -4.700 16.922 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.405 -3.396 15.062 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.968 -4.079 14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.072 -5.086 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.995 -6.010 13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.194 -4.663 13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.139 -3.191 13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.200 -4.011 11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.734 -3.287 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.596 -4.977 11.233 1.00 0.00 H new ATOM 195 N SER A 13 14.904 -7.548 18.087 1.00 0.00 N ATOM 196 CA SER A 13 14.944 -8.143 19.412 1.00 0.00 C ATOM 197 C SER A 13 16.394 -8.412 19.820 1.00 0.00 C ATOM 198 O SER A 13 16.709 -8.459 21.008 1.00 0.00 O ATOM 199 CB SER A 13 14.130 -9.436 19.460 1.00 0.00 C ATOM 200 OG SER A 13 14.276 -10.113 20.705 1.00 0.00 O ATOM 0 H SER A 13 14.544 -8.161 17.355 1.00 0.00 H new ATOM 0 HA SER A 13 14.499 -7.440 20.117 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.077 -9.208 19.293 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.446 -10.094 18.650 1.00 0.00 H new ATOM 0 HG SER A 13 13.739 -10.933 20.696 1.00 0.00 H new ATOM 205 N ASP A 14 17.237 -8.584 18.813 1.00 0.00 N ATOM 206 CA ASP A 14 18.645 -8.847 19.052 1.00 0.00 C ATOM 207 C ASP A 14 19.387 -7.521 19.225 1.00 0.00 C ATOM 208 O ASP A 14 20.439 -7.471 19.862 1.00 0.00 O ATOM 209 CB ASP A 14 19.275 -9.591 17.872 1.00 0.00 C ATOM 210 CG ASP A 14 20.234 -10.720 18.257 1.00 0.00 C ATOM 211 OD1 ASP A 14 20.152 -11.161 19.423 1.00 0.00 O ATOM 212 OD2 ASP A 14 21.026 -11.116 17.375 1.00 0.00 O ATOM 0 H ASP A 14 16.971 -8.546 17.829 1.00 0.00 H new ATOM 0 HA ASP A 14 18.724 -9.460 19.949 1.00 0.00 H new ATOM 0 HB2 ASP A 14 18.477 -10.006 17.256 1.00 0.00 H new ATOM 0 HB3 ASP A 14 19.813 -8.872 17.254 1.00 0.00 H new ATOM 216 N GLU A 15 18.810 -6.478 18.646 1.00 0.00 N ATOM 217 CA GLU A 15 19.404 -5.153 18.727 1.00 0.00 C ATOM 218 C GLU A 15 18.849 -4.397 19.936 1.00 0.00 C ATOM 219 O GLU A 15 19.576 -3.658 20.598 1.00 0.00 O ATOM 220 CB GLU A 15 19.171 -4.369 17.435 1.00 0.00 C ATOM 221 CG GLU A 15 20.210 -4.738 16.375 1.00 0.00 C ATOM 222 CD GLU A 15 21.487 -3.913 16.546 1.00 0.00 C ATOM 223 OE1 GLU A 15 22.338 -4.345 17.353 1.00 0.00 O ATOM 224 OE2 GLU A 15 21.582 -2.868 15.867 1.00 0.00 O ATOM 0 H GLU A 15 17.938 -6.523 18.119 1.00 0.00 H new ATOM 0 HA GLU A 15 20.481 -5.265 18.856 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.170 -4.575 17.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.220 -3.300 17.640 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.447 -5.800 16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.795 -4.571 15.381 1.00 0.00 H new ATOM 304 N ALA A 21 10.174 0.905 20.718 1.00 0.00 N ATOM 305 CA ALA A 21 9.378 0.059 21.591 1.00 0.00 C ATOM 306 C ALA A 21 8.073 0.778 21.939 1.00 0.00 C ATOM 307 O ALA A 21 7.040 0.139 22.128 1.00 0.00 O ATOM 308 CB ALA A 21 10.193 -0.304 22.834 1.00 0.00 C ATOM 0 HA ALA A 21 9.118 -0.873 21.089 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.595 -0.939 23.488 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.095 -0.839 22.535 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.471 0.606 23.366 1.00 0.00 H new ATOM 314 N TYR A 22 8.163 2.097 22.013 1.00 0.00 N ATOM 315 CA TYR A 22 7.002 2.911 22.335 1.00 0.00 C ATOM 316 C TYR A 22 6.106 3.096 21.110 1.00 0.00 C ATOM 317 O TYR A 22 4.906 3.329 21.243 1.00 0.00 O ATOM 318 CB TYR A 22 7.548 4.274 22.764 1.00 0.00 C ATOM 319 CG TYR A 22 7.787 4.403 24.269 1.00 0.00 C ATOM 320 CD1 TYR A 22 8.924 3.866 24.836 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.864 5.057 25.061 1.00 0.00 C ATOM 322 CE1 TYR A 22 9.148 3.987 26.253 1.00 0.00 C ATOM 323 CE2 TYR A 22 7.088 5.179 26.478 1.00 0.00 C ATOM 324 CZ TYR A 22 8.221 4.638 27.004 1.00 0.00 C ATOM 325 OH TYR A 22 8.432 4.753 28.343 1.00 0.00 O ATOM 0 H TYR A 22 9.022 2.624 21.856 1.00 0.00 H new ATOM 0 HA TYR A 22 6.405 2.437 23.114 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.486 4.459 22.240 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.849 5.049 22.450 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.646 3.355 24.217 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.974 5.477 24.617 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.033 3.570 26.709 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.374 5.688 27.109 1.00 0.00 H new ATOM 0 HH TYR A 22 7.688 5.243 28.751 1.00 0.00 H new ATOM 334 N LEU A 23 6.723 2.984 19.942 1.00 0.00 N ATOM 335 CA LEU A 23 5.995 3.137 18.694 1.00 0.00 C ATOM 336 C LEU A 23 5.269 1.830 18.370 1.00 0.00 C ATOM 337 O LEU A 23 4.053 1.823 18.180 1.00 0.00 O ATOM 338 CB LEU A 23 6.933 3.611 17.582 1.00 0.00 C ATOM 339 CG LEU A 23 6.812 5.084 17.185 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.410 5.397 16.661 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.207 5.999 18.347 1.00 0.00 C ATOM 0 H LEU A 23 7.718 2.789 19.834 1.00 0.00 H new ATOM 0 HA LEU A 23 5.233 3.911 18.789 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.960 3.423 17.895 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.753 3.001 16.697 1.00 0.00 H new ATOM 0 HG LEU A 23 7.511 5.277 16.371 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.351 6.450 16.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.203 4.781 15.786 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.675 5.183 17.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.112 7.040 18.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.551 5.811 19.197 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.239 5.798 18.634 1.00 0.00 H new ATOM 352 N GLU A 24 6.043 0.757 18.315 1.00 0.00 N ATOM 353 CA GLU A 24 5.489 -0.552 18.016 1.00 0.00 C ATOM 354 C GLU A 24 4.457 -0.946 19.075 1.00 0.00 C ATOM 355 O GLU A 24 3.534 -1.708 18.795 1.00 0.00 O ATOM 356 CB GLU A 24 6.594 -1.605 17.910 1.00 0.00 C ATOM 357 CG GLU A 24 7.598 -1.235 16.817 1.00 0.00 C ATOM 358 CD GLU A 24 7.091 -1.662 15.438 1.00 0.00 C ATOM 359 OE1 GLU A 24 6.347 -0.860 14.834 1.00 0.00 O ATOM 360 OE2 GLU A 24 7.458 -2.781 15.019 1.00 0.00 O ATOM 0 H GLU A 24 7.051 0.767 18.473 1.00 0.00 H new ATOM 0 HA GLU A 24 4.988 -0.500 17.049 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.109 -1.695 18.867 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.155 -2.578 17.691 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.772 -0.159 16.827 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.556 -1.714 17.021 1.00 0.00 H new ATOM 365 N SER A 25 4.649 -0.407 20.271 1.00 0.00 N ATOM 366 CA SER A 25 3.747 -0.692 21.374 1.00 0.00 C ATOM 367 C SER A 25 2.327 -0.248 21.017 1.00 0.00 C ATOM 368 O SER A 25 1.394 -1.048 21.057 1.00 0.00 O ATOM 369 CB SER A 25 4.212 -0.003 22.658 1.00 0.00 C ATOM 370 OG SER A 25 3.135 0.222 23.563 1.00 0.00 O ATOM 0 H SER A 25 5.416 0.225 20.500 1.00 0.00 H new ATOM 0 HA SER A 25 3.751 -1.768 21.550 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.972 -0.616 23.144 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.681 0.949 22.409 1.00 0.00 H new ATOM 0 HG SER A 25 3.473 0.662 24.371 1.00 0.00 H new ATOM 375 N GLU A 26 2.208 1.026 20.676 1.00 0.00 N ATOM 376 CA GLU A 26 0.918 1.587 20.311 1.00 0.00 C ATOM 377 C GLU A 26 0.315 0.811 19.139 1.00 0.00 C ATOM 378 O GLU A 26 -0.896 0.847 18.925 1.00 0.00 O ATOM 379 CB GLU A 26 1.041 3.075 19.979 1.00 0.00 C ATOM 380 CG GLU A 26 0.629 3.939 21.173 1.00 0.00 C ATOM 381 CD GLU A 26 1.832 4.258 22.062 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.773 4.892 21.536 1.00 0.00 O ATOM 383 OE2 GLU A 26 1.785 3.861 23.246 1.00 0.00 O ATOM 0 H GLU A 26 2.984 1.687 20.645 1.00 0.00 H new ATOM 0 HA GLU A 26 0.248 1.494 21.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.068 3.305 19.697 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.414 3.313 19.120 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.180 4.866 20.817 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.131 3.420 21.757 1.00 0.00 H new ATOM 388 N VAL A 27 1.186 0.129 18.411 1.00 0.00 N ATOM 389 CA VAL A 27 0.754 -0.653 17.265 1.00 0.00 C ATOM 390 C VAL A 27 0.215 -2.001 17.749 1.00 0.00 C ATOM 391 O VAL A 27 -0.842 -2.448 17.303 1.00 0.00 O ATOM 392 CB VAL A 27 1.902 -0.793 16.264 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.564 -1.822 15.182 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.255 0.560 15.642 1.00 0.00 C ATOM 0 H VAL A 27 2.189 0.101 18.592 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.056 -0.147 16.740 1.00 0.00 H new ATOM 0 HB VAL A 27 2.777 -1.152 16.806 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.397 -1.902 14.483 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.385 -2.792 15.646 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.670 -1.505 14.646 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.074 0.432 14.934 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.385 0.959 15.122 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.558 1.253 16.427 1.00 0.00 H new ATOM 404 N ALA A 28 0.965 -2.612 18.654 1.00 0.00 N ATOM 405 CA ALA A 28 0.576 -3.901 19.202 1.00 0.00 C ATOM 406 C ALA A 28 -0.603 -3.708 20.157 1.00 0.00 C ATOM 407 O ALA A 28 -1.407 -4.620 20.350 1.00 0.00 O ATOM 408 CB ALA A 28 1.780 -4.549 19.886 1.00 0.00 C ATOM 0 H ALA A 28 1.840 -2.239 19.022 1.00 0.00 H new ATOM 0 HA ALA A 28 0.251 -4.574 18.408 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.488 -5.516 20.297 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.579 -4.690 19.158 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.132 -3.904 20.691 1.00 0.00 H new ATOM 414 N ILE A 29 -0.671 -2.516 20.730 1.00 0.00 N ATOM 415 CA ILE A 29 -1.739 -2.191 21.660 1.00 0.00 C ATOM 416 C ILE A 29 -3.041 -1.984 20.883 1.00 0.00 C ATOM 417 O ILE A 29 -4.124 -2.258 21.397 1.00 0.00 O ATOM 418 CB ILE A 29 -1.346 -0.997 22.532 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.731 -1.235 23.994 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.946 0.301 21.986 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.234 -1.048 24.204 1.00 0.00 C ATOM 0 H ILE A 29 -0.003 -1.762 20.568 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.908 -3.018 22.350 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.262 -0.891 22.498 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.442 -2.243 24.290 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.182 -0.545 24.635 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.652 1.134 22.624 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.581 0.473 20.973 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.033 0.222 21.972 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.480 -1.223 25.251 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.516 -0.031 23.930 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.779 -1.756 23.580 1.00 0.00 H new ATOM 432 N SER A 30 -2.891 -1.502 19.659 1.00 0.00 N ATOM 433 CA SER A 30 -4.041 -1.255 18.805 1.00 0.00 C ATOM 434 C SER A 30 -4.542 -2.571 18.206 1.00 0.00 C ATOM 435 O SER A 30 -5.745 -2.768 18.050 1.00 0.00 O ATOM 436 CB SER A 30 -3.699 -0.261 17.693 1.00 0.00 C ATOM 437 OG SER A 30 -3.222 0.977 18.212 1.00 0.00 O ATOM 0 H SER A 30 -1.990 -1.276 19.237 1.00 0.00 H new ATOM 0 HA SER A 30 -4.831 -0.818 19.415 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.943 -0.695 17.039 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.584 -0.081 17.083 1.00 0.00 H new ATOM 0 HG SER A 30 -2.282 0.882 18.472 1.00 0.00 H new ATOM 442 N GLU A 31 -3.591 -3.438 17.887 1.00 0.00 N ATOM 443 CA GLU A 31 -3.919 -4.730 17.308 1.00 0.00 C ATOM 444 C GLU A 31 -4.956 -5.450 18.173 1.00 0.00 C ATOM 445 O GLU A 31 -5.706 -6.290 17.678 1.00 0.00 O ATOM 446 CB GLU A 31 -2.664 -5.585 17.130 1.00 0.00 C ATOM 447 CG GLU A 31 -3.026 -7.004 16.683 1.00 0.00 C ATOM 448 CD GLU A 31 -1.782 -7.892 16.621 1.00 0.00 C ATOM 449 OE1 GLU A 31 -0.792 -7.440 16.007 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.851 -9.005 17.187 1.00 0.00 O ATOM 0 H GLU A 31 -2.593 -3.271 18.019 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.349 -4.566 16.320 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.007 -5.124 16.392 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.111 -5.625 18.068 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.750 -7.434 17.375 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.503 -6.970 15.703 1.00 0.00 H new ATOM 455 N GLU A 32 -4.965 -5.094 19.449 1.00 0.00 N ATOM 456 CA GLU A 32 -5.898 -5.697 20.387 1.00 0.00 C ATOM 457 C GLU A 32 -7.255 -4.993 20.313 1.00 0.00 C ATOM 458 O GLU A 32 -8.280 -5.577 20.659 1.00 0.00 O ATOM 459 CB GLU A 32 -5.341 -5.664 21.811 1.00 0.00 C ATOM 460 CG GLU A 32 -6.466 -5.757 22.843 1.00 0.00 C ATOM 461 CD GLU A 32 -7.202 -7.094 22.733 1.00 0.00 C ATOM 462 OE1 GLU A 32 -7.337 -7.575 21.588 1.00 0.00 O ATOM 463 OE2 GLU A 32 -7.612 -7.605 23.797 1.00 0.00 O ATOM 0 H GLU A 32 -4.342 -4.396 19.856 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.037 -6.742 20.110 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.644 -6.491 21.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.778 -4.743 21.964 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.054 -5.646 23.846 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.169 -4.937 22.695 1.00 0.00 H new ATOM 468 N LEU A 33 -7.215 -3.749 19.859 1.00 0.00 N ATOM 469 CA LEU A 33 -8.430 -2.960 19.735 1.00 0.00 C ATOM 470 C LEU A 33 -9.305 -3.550 18.629 1.00 0.00 C ATOM 471 O LEU A 33 -10.502 -3.758 18.825 1.00 0.00 O ATOM 472 CB LEU A 33 -8.089 -1.483 19.527 1.00 0.00 C ATOM 473 CG LEU A 33 -8.244 -0.579 20.752 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.716 -0.440 21.146 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.384 -1.078 21.914 1.00 0.00 C ATOM 0 H LEU A 33 -6.362 -3.268 19.573 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.009 -3.004 20.657 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.059 -1.414 19.178 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.722 -1.093 18.730 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.885 0.416 20.491 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.799 0.207 22.019 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.275 -0.005 20.317 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.124 -1.423 21.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.513 -0.418 22.772 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.689 -2.089 22.185 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.336 -1.084 21.615 1.00 0.00 H new ATOM 486 N VAL A 34 -8.676 -3.804 17.491 1.00 0.00 N ATOM 487 CA VAL A 34 -9.384 -4.367 16.353 1.00 0.00 C ATOM 488 C VAL A 34 -9.963 -5.729 16.742 1.00 0.00 C ATOM 489 O VAL A 34 -10.999 -6.139 16.220 1.00 0.00 O ATOM 490 CB VAL A 34 -8.454 -4.437 15.141 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.608 -5.711 15.170 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.246 -4.334 13.836 1.00 0.00 C ATOM 0 H VAL A 34 -7.684 -3.630 17.332 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.219 -3.728 16.068 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.776 -3.585 15.190 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.956 -5.735 14.297 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.002 -5.725 16.076 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.262 -6.583 15.158 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.561 -4.386 12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.959 -5.156 13.777 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.783 -3.386 13.810 1.00 0.00 H new ATOM 502 N GLN A 35 -9.269 -6.393 17.654 1.00 0.00 N ATOM 503 CA GLN A 35 -9.701 -7.700 18.119 1.00 0.00 C ATOM 504 C GLN A 35 -10.823 -7.553 19.149 1.00 0.00 C ATOM 505 O GLN A 35 -11.642 -8.456 19.313 1.00 0.00 O ATOM 506 CB GLN A 35 -8.526 -8.493 18.695 1.00 0.00 C ATOM 507 CG GLN A 35 -8.304 -9.790 17.915 1.00 0.00 C ATOM 508 CD GLN A 35 -7.253 -10.668 18.596 1.00 0.00 C ATOM 509 OE1 GLN A 35 -6.268 -10.194 19.138 1.00 0.00 O ATOM 510 NE2 GLN A 35 -7.515 -11.970 18.538 1.00 0.00 N ATOM 0 H GLN A 35 -8.410 -6.050 18.084 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.089 -8.258 17.267 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.622 -7.885 18.662 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.717 -8.723 19.743 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.244 -10.337 17.837 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.985 -9.557 16.899 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.358 -12.300 18.069 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.873 -12.639 18.963 1.00 0.00 H new ATOM 517 N LYS A 36 -10.822 -6.410 19.818 1.00 0.00 N ATOM 518 CA LYS A 36 -11.830 -6.134 20.828 1.00 0.00 C ATOM 519 C LYS A 36 -13.169 -5.857 20.144 1.00 0.00 C ATOM 520 O LYS A 36 -14.228 -6.066 20.736 1.00 0.00 O ATOM 521 CB LYS A 36 -11.366 -5.005 21.752 1.00 0.00 C ATOM 522 CG LYS A 36 -11.121 -5.524 23.170 1.00 0.00 C ATOM 523 CD LYS A 36 -12.346 -5.296 24.057 1.00 0.00 C ATOM 524 CE LYS A 36 -12.167 -5.963 25.422 1.00 0.00 C ATOM 525 NZ LYS A 36 -11.676 -4.984 26.417 1.00 0.00 N ATOM 0 H LYS A 36 -10.140 -5.664 19.681 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.974 -7.003 21.470 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.451 -4.562 21.360 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.118 -4.216 21.774 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.885 -6.588 23.136 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.256 -5.019 23.601 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.509 -4.226 24.190 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.234 -5.696 23.567 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.116 -6.384 25.755 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.463 -6.791 25.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.560 -5.453 27.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.760 -4.602 26.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.362 -4.208 26.508 1.00 0.00 H new ATOM 535 N TYR A 37 -13.080 -5.392 18.906 1.00 0.00 N ATOM 536 CA TYR A 37 -14.274 -5.085 18.135 1.00 0.00 C ATOM 537 C TYR A 37 -15.165 -6.320 17.988 1.00 0.00 C ATOM 538 O TYR A 37 -16.376 -6.198 17.811 1.00 0.00 O ATOM 539 CB TYR A 37 -13.782 -4.658 16.750 1.00 0.00 C ATOM 540 CG TYR A 37 -14.137 -5.641 15.634 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.586 -6.907 15.628 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.008 -5.264 14.632 1.00 0.00 C ATOM 543 CE1 TYR A 37 -13.920 -7.833 14.576 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.343 -6.189 13.581 1.00 0.00 C ATOM 545 CZ TYR A 37 -14.783 -7.428 13.605 1.00 0.00 C ATOM 546 OH TYR A 37 -15.098 -8.302 12.612 1.00 0.00 O ATOM 0 H TYR A 37 -12.201 -5.220 18.418 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.861 -4.310 18.628 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.206 -3.683 16.510 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.699 -4.536 16.782 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.905 -7.203 16.412 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.439 -4.274 14.636 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.495 -8.826 14.558 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.023 -5.905 12.792 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.725 -7.878 11.990 1.00 0.00 H new ATOM 555 N SER A 38 -14.531 -7.481 18.068 1.00 0.00 N ATOM 556 CA SER A 38 -15.251 -8.736 17.946 1.00 0.00 C ATOM 557 C SER A 38 -16.152 -8.944 19.165 1.00 0.00 C ATOM 558 O SER A 38 -17.313 -9.325 19.027 1.00 0.00 O ATOM 559 CB SER A 38 -14.285 -9.914 17.793 1.00 0.00 C ATOM 560 OG SER A 38 -14.960 -11.113 17.426 1.00 0.00 O ATOM 0 H SER A 38 -13.526 -7.578 18.216 1.00 0.00 H new ATOM 0 HA SER A 38 -15.869 -8.689 17.049 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.537 -9.674 17.038 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.752 -10.070 18.731 1.00 0.00 H new ATOM 0 HG SER A 38 -14.309 -11.840 17.337 1.00 0.00 H new ATOM 565 N ASN A 39 -15.581 -8.684 20.333 1.00 0.00 N ATOM 566 CA ASN A 39 -16.319 -8.837 21.576 1.00 0.00 C ATOM 567 C ASN A 39 -17.145 -7.575 21.833 1.00 0.00 C ATOM 568 O ASN A 39 -18.197 -7.637 22.467 1.00 0.00 O ATOM 569 CB ASN A 39 -15.368 -9.028 22.760 1.00 0.00 C ATOM 570 CG ASN A 39 -15.374 -10.481 23.238 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.456 -11.418 22.460 1.00 0.00 O ATOM 572 ND2 ASN A 39 -15.283 -10.617 24.558 1.00 0.00 N ATOM 0 H ASN A 39 -14.617 -8.369 20.445 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.960 -9.713 21.482 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.357 -8.741 22.469 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.663 -8.371 23.578 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.279 -11.548 24.976 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -15.217 -9.791 25.152 1.00 0.00 H new ATOM 578 N SER A 40 -16.637 -6.460 21.327 1.00 0.00 N ATOM 579 CA SER A 40 -17.316 -5.186 21.493 1.00 0.00 C ATOM 580 C SER A 40 -18.451 -5.061 20.476 1.00 0.00 C ATOM 581 O SER A 40 -19.432 -4.359 20.718 1.00 0.00 O ATOM 582 CB SER A 40 -16.338 -4.019 21.346 1.00 0.00 C ATOM 583 OG SER A 40 -15.798 -3.613 22.600 1.00 0.00 O ATOM 0 H SER A 40 -15.764 -6.413 20.802 1.00 0.00 H new ATOM 0 HA SER A 40 -17.735 -5.149 22.499 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.526 -4.308 20.679 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.848 -3.175 20.881 1.00 0.00 H new ATOM 0 HG SER A 40 -14.846 -3.405 22.494 1.00 0.00 H new ATOM 588 N ALA A 41 -18.280 -5.752 19.359 1.00 0.00 N ATOM 589 CA ALA A 41 -19.278 -5.727 18.303 1.00 0.00 C ATOM 590 C ALA A 41 -20.639 -6.115 18.884 1.00 0.00 C ATOM 591 O ALA A 41 -21.677 -5.821 18.294 1.00 0.00 O ATOM 592 CB ALA A 41 -18.844 -6.654 17.166 1.00 0.00 C ATOM 0 H ALA A 41 -17.465 -6.333 19.162 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.370 -4.724 17.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -19.593 -6.635 16.375 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -17.887 -6.318 16.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -18.742 -7.671 17.544 1.00 0.00 H new ATOM 598 N LEU A 42 -20.590 -6.770 20.035 1.00 0.00 N ATOM 599 CA LEU A 42 -21.807 -7.202 20.703 1.00 0.00 C ATOM 600 C LEU A 42 -22.349 -6.054 21.557 1.00 0.00 C ATOM 601 O LEU A 42 -22.705 -6.255 22.717 1.00 0.00 O ATOM 602 CB LEU A 42 -21.557 -8.490 21.489 1.00 0.00 C ATOM 603 CG LEU A 42 -21.167 -8.314 22.959 1.00 0.00 C ATOM 604 CD1 LEU A 42 -22.377 -8.508 23.874 1.00 0.00 C ATOM 605 CD2 LEU A 42 -20.010 -9.242 23.333 1.00 0.00 C ATOM 0 H LEU A 42 -19.727 -7.012 20.522 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.578 -7.447 19.972 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.459 -9.101 21.444 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.767 -9.050 20.989 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.818 -7.291 23.100 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -22.073 -8.378 24.912 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -23.143 -7.773 23.625 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -22.779 -9.512 23.737 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.752 -9.097 24.382 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.308 -10.278 23.172 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.144 -9.013 22.712 1.00 0.00 H new ATOM 616 N GLY A 43 -22.393 -4.878 20.951 1.00 0.00 N ATOM 617 CA GLY A 43 -22.886 -3.698 21.642 1.00 0.00 C ATOM 618 C GLY A 43 -22.374 -2.419 20.976 1.00 0.00 C ATOM 619 O GLY A 43 -22.012 -1.462 21.658 1.00 0.00 O ATOM 0 H GLY A 43 -22.096 -4.716 19.989 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -23.976 -3.701 21.642 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -22.567 -3.723 22.684 1.00 0.00 H new ATOM 623 N HIS A 44 -22.362 -2.444 19.652 1.00 0.00 N ATOM 624 CA HIS A 44 -21.901 -1.298 18.886 1.00 0.00 C ATOM 625 C HIS A 44 -20.747 -0.618 19.624 1.00 0.00 C ATOM 626 O HIS A 44 -20.618 0.605 19.590 1.00 0.00 O ATOM 627 CB HIS A 44 -23.059 -0.343 18.587 1.00 0.00 C ATOM 628 CG HIS A 44 -24.184 -0.968 17.797 1.00 0.00 C ATOM 629 ND1 HIS A 44 -25.517 -0.688 18.039 1.00 0.00 N ATOM 630 CD2 HIS A 44 -24.160 -1.863 16.767 1.00 0.00 C ATOM 631 CE1 HIS A 44 -26.253 -1.388 17.188 1.00 0.00 C ATOM 632 NE2 HIS A 44 -25.410 -2.115 16.401 1.00 0.00 N ATOM 0 H HIS A 44 -22.664 -3.240 19.090 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.522 -1.631 17.920 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -23.457 0.035 19.529 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.675 0.515 18.036 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -23.274 -2.293 16.325 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -27.331 -1.383 17.128 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -25.694 -2.749 15.654 1.00 0.00 H new ATOM 640 N VAL A 45 -19.937 -1.439 20.275 1.00 0.00 N ATOM 641 CA VAL A 45 -18.798 -0.933 21.020 1.00 0.00 C ATOM 642 C VAL A 45 -17.559 -0.943 20.122 1.00 0.00 C ATOM 643 O VAL A 45 -16.646 -0.141 20.308 1.00 0.00 O ATOM 644 CB VAL A 45 -18.610 -1.743 22.305 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.422 -1.220 23.115 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.890 -1.740 23.146 1.00 0.00 C ATOM 0 H VAL A 45 -20.047 -2.453 20.302 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.971 0.099 21.324 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.395 -2.774 22.023 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.311 -1.813 24.023 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.513 -1.296 22.518 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -17.594 -0.177 23.382 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.730 -2.322 24.054 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.148 -0.715 23.413 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.704 -2.181 22.571 1.00 0.00 H new ATOM 656 N ASN A 46 -17.569 -1.862 19.166 1.00 0.00 N ATOM 657 CA ASN A 46 -16.459 -1.988 18.239 1.00 0.00 C ATOM 658 C ASN A 46 -16.257 -0.658 17.507 1.00 0.00 C ATOM 659 O ASN A 46 -15.140 -0.323 17.117 1.00 0.00 O ATOM 660 CB ASN A 46 -16.737 -3.067 17.190 1.00 0.00 C ATOM 661 CG ASN A 46 -18.183 -2.992 16.697 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.979 -2.186 17.148 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.477 -3.877 15.748 1.00 0.00 N ATOM 0 H ASN A 46 -18.329 -2.526 19.015 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.572 -2.260 18.811 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.055 -2.945 16.348 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.545 -4.052 17.616 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.417 -3.908 15.353 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.762 -4.524 15.415 1.00 0.00 H new ATOM 669 N CYS A 47 -17.357 0.062 17.344 1.00 0.00 N ATOM 670 CA CYS A 47 -17.316 1.347 16.666 1.00 0.00 C ATOM 671 C CYS A 47 -16.814 2.397 17.659 1.00 0.00 C ATOM 672 O CYS A 47 -16.262 3.421 17.259 1.00 0.00 O ATOM 673 CB CYS A 47 -18.678 1.721 16.078 1.00 0.00 C ATOM 674 SG CYS A 47 -19.777 2.353 17.398 1.00 0.00 S ATOM 0 H CYS A 47 -18.282 -0.220 17.669 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.632 1.293 15.819 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.554 2.478 15.304 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.130 0.850 15.603 1.00 0.00 H new ATOM 0 HG CYS A 47 -19.795 1.511 18.388 1.00 0.00 H new ATOM 679 N THR A 48 -17.027 2.108 18.934 1.00 0.00 N ATOM 680 CA THR A 48 -16.604 3.016 19.987 1.00 0.00 C ATOM 681 C THR A 48 -15.128 2.791 20.324 1.00 0.00 C ATOM 682 O THR A 48 -14.446 3.706 20.783 1.00 0.00 O ATOM 683 CB THR A 48 -17.537 2.820 21.184 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.814 3.224 20.698 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.244 3.799 22.322 1.00 0.00 C ATOM 0 H THR A 48 -17.487 1.259 19.262 1.00 0.00 H new ATOM 0 HA THR A 48 -16.677 4.055 19.666 1.00 0.00 H new ATOM 0 HB THR A 48 -17.445 1.798 21.552 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.934 2.896 19.782 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.934 3.617 23.146 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.220 3.658 22.669 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.369 4.821 21.964 1.00 0.00 H new ATOM 693 N ILE A 49 -14.679 1.568 20.082 1.00 0.00 N ATOM 694 CA ILE A 49 -13.296 1.211 20.354 1.00 0.00 C ATOM 695 C ILE A 49 -12.457 1.446 19.096 1.00 0.00 C ATOM 696 O ILE A 49 -11.304 1.867 19.184 1.00 0.00 O ATOM 697 CB ILE A 49 -13.208 -0.217 20.894 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.576 -1.236 19.815 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.064 -0.381 22.153 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.322 -1.871 19.210 1.00 0.00 C ATOM 0 H ILE A 49 -15.248 0.812 19.701 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.884 1.849 21.136 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.174 -0.410 21.179 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.210 -2.012 20.244 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.155 -0.748 19.031 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.984 -1.405 22.517 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.714 0.306 22.923 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.105 -0.160 21.917 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.612 -2.592 18.445 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.702 -1.095 18.761 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.758 -2.379 19.992 1.00 0.00 H new ATOM 711 N LYS A 50 -13.068 1.162 17.955 1.00 0.00 N ATOM 712 CA LYS A 50 -12.390 1.337 16.681 1.00 0.00 C ATOM 713 C LYS A 50 -12.320 2.827 16.346 1.00 0.00 C ATOM 714 O LYS A 50 -11.268 3.331 15.954 1.00 0.00 O ATOM 715 CB LYS A 50 -13.065 0.493 15.596 1.00 0.00 C ATOM 716 CG LYS A 50 -12.952 -0.999 15.913 1.00 0.00 C ATOM 717 CD LYS A 50 -11.848 -1.654 15.082 1.00 0.00 C ATOM 718 CE LYS A 50 -10.476 -1.081 15.441 1.00 0.00 C ATOM 719 NZ LYS A 50 -10.134 -1.398 16.846 1.00 0.00 N ATOM 0 H LYS A 50 -14.024 0.812 17.886 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.363 0.976 16.742 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.115 0.772 15.514 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.604 0.699 14.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.742 -1.134 16.974 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.904 -1.490 15.711 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.851 -2.731 15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.045 -1.497 14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.718 -1.492 14.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.477 -0.001 15.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.127 -1.648 16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.324 -0.569 17.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.711 -2.200 17.171 1.00 0.00 H new ATOM 729 N GLU A 51 -13.454 3.493 16.513 1.00 0.00 N ATOM 730 CA GLU A 51 -13.534 4.917 16.232 1.00 0.00 C ATOM 731 C GLU A 51 -12.256 5.621 16.691 1.00 0.00 C ATOM 732 O GLU A 51 -11.843 6.616 16.097 1.00 0.00 O ATOM 733 CB GLU A 51 -14.768 5.537 16.891 1.00 0.00 C ATOM 734 CG GLU A 51 -14.617 7.054 17.020 1.00 0.00 C ATOM 735 CD GLU A 51 -15.936 7.702 17.447 1.00 0.00 C ATOM 736 OE1 GLU A 51 -16.923 7.526 16.700 1.00 0.00 O ATOM 737 OE2 GLU A 51 -15.928 8.356 18.512 1.00 0.00 O ATOM 0 H GLU A 51 -14.324 3.073 16.839 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.632 5.050 15.155 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.655 5.305 16.301 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.917 5.098 17.877 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.841 7.285 17.750 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.293 7.473 16.067 1.00 0.00 H new ATOM 742 N LEU A 52 -11.664 5.077 17.745 1.00 0.00 N ATOM 743 CA LEU A 52 -10.441 5.641 18.291 1.00 0.00 C ATOM 744 C LEU A 52 -9.237 4.906 17.698 1.00 0.00 C ATOM 745 O LEU A 52 -8.433 5.501 16.981 1.00 0.00 O ATOM 746 CB LEU A 52 -10.480 5.625 19.819 1.00 0.00 C ATOM 747 CG LEU A 52 -10.322 6.982 20.509 1.00 0.00 C ATOM 748 CD1 LEU A 52 -11.643 7.438 21.130 1.00 0.00 C ATOM 749 CD2 LEU A 52 -9.188 6.946 21.535 1.00 0.00 C ATOM 0 H LEU A 52 -12.009 4.252 18.235 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.345 6.690 18.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.428 5.188 20.134 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.690 4.964 20.176 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.050 7.720 19.754 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.503 8.405 21.614 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.399 7.528 20.350 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.969 6.706 21.869 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.097 7.922 22.011 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.406 6.192 22.292 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.252 6.697 21.034 1.00 0.00 H new ATOM 760 N ARG A 53 -9.151 3.624 18.018 1.00 0.00 N ATOM 761 CA ARG A 53 -8.059 2.801 17.526 1.00 0.00 C ATOM 762 C ARG A 53 -7.744 3.151 16.070 1.00 0.00 C ATOM 763 O ARG A 53 -6.693 3.720 15.777 1.00 0.00 O ATOM 764 CB ARG A 53 -8.402 1.313 17.623 1.00 0.00 C ATOM 765 CG ARG A 53 -7.310 0.455 16.979 1.00 0.00 C ATOM 766 CD ARG A 53 -7.499 0.375 15.464 1.00 0.00 C ATOM 767 NE ARG A 53 -7.021 -0.934 14.963 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.744 -1.200 14.658 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.808 -0.251 14.801 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.401 -2.416 14.211 1.00 0.00 N ATOM 0 H ARG A 53 -9.820 3.134 18.612 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.187 3.002 18.148 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.521 1.031 18.669 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.356 1.123 17.131 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.331 0.876 17.205 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.332 -0.548 17.405 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.551 0.508 15.213 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.951 1.182 14.978 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.707 -1.679 14.843 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.068 0.674 15.142 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.836 -0.454 14.569 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.112 -3.139 14.103 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.429 -2.618 13.979 1.00 0.00 H new ATOM 781 N ARG A 54 -8.675 2.799 15.196 1.00 0.00 N ATOM 782 CA ARG A 54 -8.511 3.069 13.777 1.00 0.00 C ATOM 783 C ARG A 54 -9.197 4.385 13.405 1.00 0.00 C ATOM 784 O ARG A 54 -8.566 5.282 12.847 1.00 0.00 O ATOM 785 CB ARG A 54 -9.096 1.938 12.930 1.00 0.00 C ATOM 786 CG ARG A 54 -8.001 1.222 12.137 1.00 0.00 C ATOM 787 CD ARG A 54 -8.562 0.618 10.849 1.00 0.00 C ATOM 788 NE ARG A 54 -8.451 -0.857 10.891 1.00 0.00 N ATOM 789 CZ ARG A 54 -8.687 -1.659 9.843 1.00 0.00 C ATOM 790 NH1 ARG A 54 -9.047 -1.132 8.665 1.00 0.00 N ATOM 791 NH2 ARG A 54 -8.561 -2.986 9.973 1.00 0.00 N ATOM 0 H ARG A 54 -9.546 2.329 15.443 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.443 3.143 13.574 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.608 1.224 13.575 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.842 2.341 12.245 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.203 1.925 11.896 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.559 0.436 12.749 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.605 0.909 10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.018 1.007 9.988 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.178 -1.291 11.773 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.141 -0.121 8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.227 -1.742 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.285 -3.387 10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.741 -3.596 9.175 1.00 0.00 H new ATOM 802 N LEU A 55 -10.479 4.458 13.727 1.00 0.00 N ATOM 803 CA LEU A 55 -11.259 5.649 13.433 1.00 0.00 C ATOM 804 C LEU A 55 -11.851 5.532 12.028 1.00 0.00 C ATOM 805 O LEU A 55 -12.168 6.539 11.398 1.00 0.00 O ATOM 806 CB LEU A 55 -10.412 6.907 13.641 1.00 0.00 C ATOM 807 CG LEU A 55 -11.181 8.181 14.001 1.00 0.00 C ATOM 808 CD1 LEU A 55 -10.643 8.798 15.293 1.00 0.00 C ATOM 809 CD2 LEU A 55 -11.165 9.177 12.840 1.00 0.00 C ATOM 0 H LEU A 55 -10.998 3.712 14.189 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.096 5.737 14.125 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.688 6.707 14.431 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.845 7.094 12.729 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.222 7.913 14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.206 9.702 15.527 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.749 8.083 16.109 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.590 9.049 15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.718 10.073 13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.135 9.445 12.605 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.631 8.723 11.965 1.00 0.00 H new ATOM 820 N PHE A 56 -11.982 4.293 11.577 1.00 0.00 N ATOM 821 CA PHE A 56 -12.532 4.030 10.258 1.00 0.00 C ATOM 822 C PHE A 56 -13.407 2.775 10.268 1.00 0.00 C ATOM 823 O PHE A 56 -14.499 2.771 9.701 1.00 0.00 O ATOM 824 CB PHE A 56 -11.347 3.804 9.317 1.00 0.00 C ATOM 825 CG PHE A 56 -11.384 4.663 8.051 1.00 0.00 C ATOM 826 CD1 PHE A 56 -12.045 4.220 6.948 1.00 0.00 C ATOM 827 CD2 PHE A 56 -10.758 5.870 8.030 1.00 0.00 C ATOM 828 CE1 PHE A 56 -12.079 5.018 5.774 1.00 0.00 C ATOM 829 CE2 PHE A 56 -10.793 6.668 6.855 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.453 6.225 5.752 1.00 0.00 C ATOM 0 H PHE A 56 -11.717 3.460 12.102 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.151 4.869 9.939 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.423 4.011 9.857 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.320 2.753 9.030 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.544 3.262 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.234 6.222 8.906 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.603 4.666 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.295 7.626 6.838 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.480 6.831 4.859 1.00 0.00 H new ATOM 839 N LEU A 57 -12.894 1.740 10.918 1.00 0.00 N ATOM 840 CA LEU A 57 -13.614 0.482 11.008 1.00 0.00 C ATOM 841 C LEU A 57 -15.067 0.758 11.403 1.00 0.00 C ATOM 842 O LEU A 57 -15.989 0.173 10.838 1.00 0.00 O ATOM 843 CB LEU A 57 -12.894 -0.482 11.953 1.00 0.00 C ATOM 844 CG LEU A 57 -13.151 -1.971 11.717 1.00 0.00 C ATOM 845 CD1 LEU A 57 -14.464 -2.411 12.367 1.00 0.00 C ATOM 846 CD2 LEU A 57 -13.110 -2.305 10.224 1.00 0.00 C ATOM 0 H LEU A 57 -11.988 1.748 11.387 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.635 -0.014 10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.822 -0.302 11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.184 -0.241 12.976 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.350 -2.535 12.195 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.622 -3.474 12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.417 -2.231 13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -15.290 -1.842 11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.296 -3.370 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.876 -1.731 9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.129 -2.052 9.821 1.00 0.00 H new ATOM 857 N VAL A 58 -15.225 1.651 12.369 1.00 0.00 N ATOM 858 CA VAL A 58 -16.549 2.012 12.846 1.00 0.00 C ATOM 859 C VAL A 58 -17.426 0.760 12.899 1.00 0.00 C ATOM 860 O VAL A 58 -18.429 0.670 12.193 1.00 0.00 O ATOM 861 CB VAL A 58 -17.138 3.118 11.967 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.491 3.585 12.506 1.00 0.00 C ATOM 863 CG2 VAL A 58 -16.164 4.291 11.836 1.00 0.00 C ATOM 0 H VAL A 58 -14.457 2.135 12.834 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.494 2.414 13.858 1.00 0.00 H new ATOM 0 HB VAL A 58 -17.300 2.705 10.971 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.887 4.371 11.863 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.186 2.745 12.523 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.366 3.972 13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.607 5.063 11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.956 4.703 12.823 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.235 3.944 11.385 1.00 0.00 H new ATOM 873 N ASP A 59 -17.015 -0.175 13.743 1.00 0.00 N ATOM 874 CA ASP A 59 -17.751 -1.419 13.898 1.00 0.00 C ATOM 875 C ASP A 59 -17.628 -2.243 12.614 1.00 0.00 C ATOM 876 O ASP A 59 -17.134 -3.369 12.641 1.00 0.00 O ATOM 877 CB ASP A 59 -19.237 -1.152 14.146 1.00 0.00 C ATOM 878 CG ASP A 59 -20.195 -2.059 13.370 1.00 0.00 C ATOM 879 OD1 ASP A 59 -20.062 -3.291 13.526 1.00 0.00 O ATOM 880 OD2 ASP A 59 -21.040 -1.497 12.640 1.00 0.00 O ATOM 0 H ASP A 59 -16.182 -0.096 14.327 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.333 -1.954 14.750 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.438 -1.263 15.212 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.453 -0.115 13.888 1.00 0.00 H new ATOM 884 N ASP A 60 -18.083 -1.650 11.521 1.00 0.00 N ATOM 885 CA ASP A 60 -18.029 -2.315 10.230 1.00 0.00 C ATOM 886 C ASP A 60 -18.871 -3.592 10.284 1.00 0.00 C ATOM 887 O ASP A 60 -19.978 -3.588 10.822 1.00 0.00 O ATOM 888 CB ASP A 60 -16.595 -2.709 9.873 1.00 0.00 C ATOM 889 CG ASP A 60 -16.314 -2.839 8.375 1.00 0.00 C ATOM 890 OD1 ASP A 60 -16.662 -1.884 7.648 1.00 0.00 O ATOM 891 OD2 ASP A 60 -15.758 -3.891 7.991 1.00 0.00 O ATOM 0 H ASP A 60 -18.491 -0.715 11.502 1.00 0.00 H new ATOM 0 HA ASP A 60 -18.411 -1.624 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.915 -1.967 10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.365 -3.659 10.354 1.00 0.00 H new