USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ -142:sc= 1.54 (180deg=-0.505!) USER MOD Set 1.2: A 19 TYR OH : rot -15:sc= 0.27 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00773 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.00822 K(o=0.0082,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.8!) USER MOD Single : A 21 ASN : amide:sc= -0.521 K(o=-0.52,f=-3.9!) USER MOD Single : B 1 PHE N :NH3+ 156:sc= 0.00435 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.37) USER MOD Single : B 4 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.013) USER MOD Single : B 5 HIS : no HE2:sc= -14.5! C(o=-14!,f=-18!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -2.28! C(o=-5.5!,f=-2.3!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 95:sc= 0.47 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 41:sc= 0.0117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.349 1.893 5.259 1.00 0.00 N ATOM 2 CA GLY A 1 -5.733 3.004 4.283 1.00 0.00 C ATOM 3 C GLY A 1 -4.687 3.603 3.404 1.00 0.00 C ATOM 4 O GLY A 1 -4.578 4.807 3.284 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.113 1.189 5.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.473 1.435 4.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.199 2.298 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.519 2.614 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.173 3.813 4.866 1.00 0.00 H new ATOM 10 N ILE A 2 -3.891 2.786 2.771 1.00 0.00 N ATOM 11 CA ILE A 2 -2.825 3.325 1.880 1.00 0.00 C ATOM 12 C ILE A 2 -3.458 4.192 0.793 1.00 0.00 C ATOM 13 O ILE A 2 -2.811 5.025 0.191 1.00 0.00 O ATOM 14 CB ILE A 2 -2.063 2.165 1.233 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.037 1.029 0.909 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.992 1.660 2.196 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.656 0.399 -0.431 1.00 0.00 C ATOM 0 H ILE A 2 -3.933 1.769 2.832 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.133 3.929 2.467 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.591 2.510 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.011 0.277 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.057 1.411 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.449 0.834 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.297 2.468 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.463 1.316 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.349 -0.410 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.705 1.154 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.642 0.003 -0.372 1.00 0.00 H new ATOM 29 N VAL A 3 -4.720 4.005 0.539 1.00 0.00 N ATOM 30 CA VAL A 3 -5.400 4.820 -0.506 1.00 0.00 C ATOM 31 C VAL A 3 -5.256 6.304 -0.165 1.00 0.00 C ATOM 32 O VAL A 3 -4.537 7.034 -0.820 1.00 0.00 O ATOM 33 CB VAL A 3 -6.881 4.447 -0.560 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.507 5.020 -1.833 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.020 2.923 -0.568 1.00 0.00 C ATOM 0 H VAL A 3 -5.313 3.322 1.010 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.943 4.625 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.391 4.857 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.563 4.754 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.406 6.105 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.998 4.610 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.076 2.654 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.510 2.516 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.574 2.512 0.338 1.00 0.00 H new ATOM 45 N GLU A 4 -5.929 6.757 0.856 1.00 0.00 N ATOM 46 CA GLU A 4 -5.825 8.194 1.237 1.00 0.00 C ATOM 47 C GLU A 4 -4.474 8.440 1.911 1.00 0.00 C ATOM 48 O GLU A 4 -4.023 9.562 2.034 1.00 0.00 O ATOM 49 CB GLU A 4 -6.954 8.548 2.208 1.00 0.00 C ATOM 50 CG GLU A 4 -7.782 9.700 1.634 1.00 0.00 C ATOM 51 CD GLU A 4 -9.259 9.483 1.969 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.530 8.855 2.979 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.093 9.952 1.211 1.00 0.00 O ATOM 0 H GLU A 4 -6.546 6.195 1.443 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.907 8.816 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.589 7.678 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.540 8.831 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.440 10.649 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.647 9.756 0.554 1.00 0.00 H new ATOM 60 N GLN A 5 -3.823 7.398 2.346 1.00 0.00 N ATOM 61 CA GLN A 5 -2.503 7.568 3.011 1.00 0.00 C ATOM 62 C GLN A 5 -1.413 7.698 1.949 1.00 0.00 C ATOM 63 O GLN A 5 -0.424 8.382 2.133 1.00 0.00 O ATOM 64 CB GLN A 5 -2.214 6.353 3.896 1.00 0.00 C ATOM 65 CG GLN A 5 -1.254 6.751 5.018 1.00 0.00 C ATOM 66 CD GLN A 5 -1.956 6.595 6.369 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.252 7.570 7.031 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.234 5.398 6.811 1.00 0.00 N ATOM 0 H GLN A 5 -4.149 6.435 2.269 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.520 8.467 3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.143 5.969 4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.779 5.551 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.361 6.127 4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.927 7.782 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.986 4.579 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.699 5.282 7.711 1.00 0.00 H new ATOM 77 N CYS A 6 -1.588 7.047 0.836 1.00 0.00 N ATOM 78 CA CYS A 6 -0.569 7.127 -0.249 1.00 0.00 C ATOM 79 C CYS A 6 -1.081 8.052 -1.349 1.00 0.00 C ATOM 80 O CYS A 6 -0.318 8.674 -2.061 1.00 0.00 O ATOM 81 CB CYS A 6 -0.322 5.733 -0.832 1.00 0.00 C ATOM 82 SG CYS A 6 -0.133 4.534 0.510 1.00 0.00 S ATOM 0 H CYS A 6 -2.396 6.460 0.628 1.00 0.00 H new ATOM 0 HA CYS A 6 0.364 7.516 0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.153 5.445 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.574 5.742 -1.453 1.00 0.00 H new ATOM 87 N CYS A 7 -2.370 8.144 -1.487 1.00 0.00 N ATOM 88 CA CYS A 7 -2.946 9.027 -2.537 1.00 0.00 C ATOM 89 C CYS A 7 -3.116 10.438 -1.970 1.00 0.00 C ATOM 90 O CYS A 7 -2.762 11.414 -2.601 1.00 0.00 O ATOM 91 CB CYS A 7 -4.297 8.461 -2.980 1.00 0.00 C ATOM 92 SG CYS A 7 -4.824 9.271 -4.510 1.00 0.00 S ATOM 0 H CYS A 7 -3.053 7.645 -0.917 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.281 9.072 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.218 7.385 -3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.041 8.617 -2.199 1.00 0.00 H new ATOM 97 N THR A 8 -3.632 10.555 -0.777 1.00 0.00 N ATOM 98 CA THR A 8 -3.793 11.904 -0.169 1.00 0.00 C ATOM 99 C THR A 8 -2.454 12.299 0.469 1.00 0.00 C ATOM 100 O THR A 8 -2.139 13.464 0.622 1.00 0.00 O ATOM 101 CB THR A 8 -4.934 11.860 0.874 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.002 12.683 0.425 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.462 12.357 2.248 1.00 0.00 C ATOM 0 H THR A 8 -3.948 9.776 -0.199 1.00 0.00 H new ATOM 0 HA THR A 8 -4.060 12.649 -0.919 1.00 0.00 H new ATOM 0 HB THR A 8 -5.260 10.825 0.980 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.731 12.659 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.290 12.312 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.647 11.726 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.113 13.386 2.163 1.00 0.00 H new ATOM 111 N SER A 9 -1.662 11.324 0.829 1.00 0.00 N ATOM 112 CA SER A 9 -0.335 11.609 1.444 1.00 0.00 C ATOM 113 C SER A 9 0.675 10.589 0.909 1.00 0.00 C ATOM 114 O SER A 9 0.631 10.218 -0.247 1.00 0.00 O ATOM 115 CB SER A 9 -0.437 11.489 2.964 1.00 0.00 C ATOM 116 OG SER A 9 0.595 12.257 3.569 1.00 0.00 O ATOM 0 H SER A 9 -1.881 10.334 0.722 1.00 0.00 H new ATOM 0 HA SER A 9 -0.013 12.620 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.412 11.839 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.352 10.445 3.264 1.00 0.00 H new ATOM 0 HG SER A 9 0.530 12.182 4.544 1.00 0.00 H new ATOM 122 N ILE A 10 1.576 10.115 1.728 1.00 0.00 N ATOM 123 CA ILE A 10 2.556 9.108 1.228 1.00 0.00 C ATOM 124 C ILE A 10 2.641 7.933 2.195 1.00 0.00 C ATOM 125 O ILE A 10 2.244 8.022 3.339 1.00 0.00 O ATOM 126 CB ILE A 10 3.953 9.715 1.112 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.933 10.938 0.206 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.897 8.678 0.527 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.978 12.187 1.073 1.00 0.00 C ATOM 0 H ILE A 10 1.676 10.377 2.709 1.00 0.00 H new ATOM 0 HA ILE A 10 2.213 8.777 0.248 1.00 0.00 H new ATOM 0 HB ILE A 10 4.289 10.018 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.785 10.919 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.034 10.938 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.897 9.104 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.929 7.806 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.543 8.380 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.964 13.072 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.112 12.202 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.890 12.183 1.670 1.00 0.00 H new ATOM 141 N CYS A 11 3.190 6.840 1.745 1.00 0.00 N ATOM 142 CA CYS A 11 3.337 5.661 2.643 1.00 0.00 C ATOM 143 C CYS A 11 4.642 4.941 2.316 1.00 0.00 C ATOM 144 O CYS A 11 5.236 5.144 1.276 1.00 0.00 O ATOM 145 CB CYS A 11 2.176 4.687 2.451 1.00 0.00 C ATOM 146 SG CYS A 11 0.673 5.597 2.025 1.00 0.00 S ATOM 0 H CYS A 11 3.543 6.712 0.797 1.00 0.00 H new ATOM 0 HA CYS A 11 3.341 6.009 3.676 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.415 3.973 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.017 4.112 3.364 1.00 0.00 H new ATOM 151 N SER A 12 5.081 4.094 3.195 1.00 0.00 N ATOM 152 CA SER A 12 6.341 3.343 2.948 1.00 0.00 C ATOM 153 C SER A 12 6.002 1.879 2.672 1.00 0.00 C ATOM 154 O SER A 12 5.094 1.323 3.254 1.00 0.00 O ATOM 155 CB SER A 12 7.244 3.437 4.178 1.00 0.00 C ATOM 156 OG SER A 12 6.920 2.387 5.079 1.00 0.00 O ATOM 0 H SER A 12 4.620 3.886 4.081 1.00 0.00 H new ATOM 0 HA SER A 12 6.861 3.769 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.291 3.367 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.115 4.403 4.666 1.00 0.00 H new ATOM 0 HG SER A 12 7.498 2.443 5.868 1.00 0.00 H new ATOM 162 N LEU A 13 6.719 1.253 1.784 1.00 0.00 N ATOM 163 CA LEU A 13 6.429 -0.173 1.473 1.00 0.00 C ATOM 164 C LEU A 13 6.252 -0.941 2.773 1.00 0.00 C ATOM 165 O LEU A 13 5.464 -1.861 2.864 1.00 0.00 O ATOM 166 CB LEU A 13 7.572 -0.773 0.655 1.00 0.00 C ATOM 167 CG LEU A 13 8.779 -1.056 1.552 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.824 -2.546 1.886 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.062 -0.665 0.820 1.00 0.00 C ATOM 0 H LEU A 13 7.492 1.665 1.261 1.00 0.00 H new ATOM 0 HA LEU A 13 5.513 -0.240 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.241 -1.696 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.856 -0.086 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 13 8.692 -0.476 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.683 -2.750 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.909 -2.830 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.912 -3.123 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.922 -0.867 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.148 -1.246 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.033 0.397 0.576 1.00 0.00 H new ATOM 181 N TYR A 14 6.957 -0.552 3.789 1.00 0.00 N ATOM 182 CA TYR A 14 6.807 -1.240 5.096 1.00 0.00 C ATOM 183 C TYR A 14 5.337 -1.159 5.478 1.00 0.00 C ATOM 184 O TYR A 14 4.741 -2.108 5.950 1.00 0.00 O ATOM 185 CB TYR A 14 7.655 -0.535 6.155 1.00 0.00 C ATOM 186 CG TYR A 14 8.298 -1.566 7.047 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.499 -2.441 7.795 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.692 -1.648 7.125 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.099 -3.401 8.623 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.293 -2.607 7.952 1.00 0.00 C ATOM 191 CZ TYR A 14 9.497 -3.483 8.701 1.00 0.00 C ATOM 192 OH TYR A 14 10.087 -4.427 9.516 1.00 0.00 O ATOM 0 H TYR A 14 7.632 0.213 3.773 1.00 0.00 H new ATOM 0 HA TYR A 14 7.137 -2.277 5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.420 0.076 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.033 0.137 6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.423 -2.376 7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.306 -0.972 6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.485 -4.077 9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.369 -2.670 8.012 1.00 0.00 H new ATOM 0 HH TYR A 14 11.062 -4.350 9.453 1.00 0.00 H new ATOM 202 N GLN A 15 4.747 -0.022 5.245 1.00 0.00 N ATOM 203 CA GLN A 15 3.309 0.160 5.553 1.00 0.00 C ATOM 204 C GLN A 15 2.495 -0.567 4.489 1.00 0.00 C ATOM 205 O GLN A 15 1.364 -0.955 4.704 1.00 0.00 O ATOM 206 CB GLN A 15 2.982 1.652 5.517 1.00 0.00 C ATOM 207 CG GLN A 15 3.553 2.334 6.761 1.00 0.00 C ATOM 208 CD GLN A 15 3.073 3.786 6.812 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.476 4.599 6.006 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.221 4.147 7.733 1.00 0.00 N ATOM 0 H GLN A 15 5.208 0.797 4.849 1.00 0.00 H new ATOM 0 HA GLN A 15 3.073 -0.240 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.400 2.104 4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.903 1.797 5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.235 1.803 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.642 2.300 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.882 3.464 8.410 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.894 5.112 7.775 1.00 0.00 H new ATOM 219 N LEU A 16 3.078 -0.762 3.340 1.00 0.00 N ATOM 220 CA LEU A 16 2.373 -1.471 2.247 1.00 0.00 C ATOM 221 C LEU A 16 2.399 -2.965 2.547 1.00 0.00 C ATOM 222 O LEU A 16 1.500 -3.699 2.192 1.00 0.00 O ATOM 223 CB LEU A 16 3.089 -1.182 0.921 1.00 0.00 C ATOM 224 CG LEU A 16 2.984 0.313 0.551 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.719 0.439 -0.948 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.837 0.994 1.310 1.00 0.00 C ATOM 0 H LEU A 16 4.024 -0.455 3.113 1.00 0.00 H new ATOM 0 HA LEU A 16 1.339 -1.134 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.138 -1.468 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.652 -1.788 0.128 1.00 0.00 H new ATOM 0 HG LEU A 16 3.921 0.799 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.644 1.493 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.538 -0.019 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.786 -0.066 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.788 2.046 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.895 0.507 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.012 0.913 2.383 1.00 0.00 H new ATOM 238 N GLU A 17 3.424 -3.418 3.218 1.00 0.00 N ATOM 239 CA GLU A 17 3.504 -4.861 3.561 1.00 0.00 C ATOM 240 C GLU A 17 2.430 -5.169 4.599 1.00 0.00 C ATOM 241 O GLU A 17 2.040 -6.304 4.793 1.00 0.00 O ATOM 242 CB GLU A 17 4.886 -5.175 4.139 1.00 0.00 C ATOM 243 CG GLU A 17 5.936 -5.080 3.031 1.00 0.00 C ATOM 244 CD GLU A 17 7.291 -5.541 3.570 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.401 -5.713 4.773 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.198 -5.713 2.770 1.00 0.00 O ATOM 0 H GLU A 17 4.207 -2.850 3.542 1.00 0.00 H new ATOM 0 HA GLU A 17 3.348 -5.469 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.124 -4.476 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.891 -6.174 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.641 -5.697 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.007 -4.054 2.669 1.00 0.00 H new ATOM 253 N ASN A 18 1.940 -4.156 5.262 1.00 0.00 N ATOM 254 CA ASN A 18 0.878 -4.378 6.284 1.00 0.00 C ATOM 255 C ASN A 18 -0.440 -4.695 5.575 1.00 0.00 C ATOM 256 O ASN A 18 -1.400 -5.122 6.186 1.00 0.00 O ATOM 257 CB ASN A 18 0.710 -3.114 7.131 1.00 0.00 C ATOM 258 CG ASN A 18 0.576 -3.499 8.606 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.410 -4.658 8.931 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.644 -2.569 9.519 1.00 0.00 N ATOM 0 H ASN A 18 2.229 -3.186 5.140 1.00 0.00 H new ATOM 0 HA ASN A 18 1.159 -5.210 6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.567 -2.455 6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.172 -2.562 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.558 -2.815 10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.783 -1.596 9.246 1.00 0.00 H new ATOM 267 N TYR A 19 -0.494 -4.483 4.287 1.00 0.00 N ATOM 268 CA TYR A 19 -1.746 -4.767 3.532 1.00 0.00 C ATOM 269 C TYR A 19 -1.650 -6.151 2.882 1.00 0.00 C ATOM 270 O TYR A 19 -2.525 -6.561 2.146 1.00 0.00 O ATOM 271 CB TYR A 19 -1.926 -3.710 2.441 1.00 0.00 C ATOM 272 CG TYR A 19 -2.135 -2.355 3.076 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.037 -1.631 3.558 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.427 -1.823 3.181 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.232 -0.375 4.147 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.621 -0.567 3.768 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.524 0.157 4.253 1.00 0.00 C ATOM 278 OH TYR A 19 -2.714 1.395 4.832 1.00 0.00 O ATOM 0 H TYR A 19 0.278 -4.124 3.725 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.596 -4.744 4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.049 -3.688 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.780 -3.964 1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.041 -2.041 3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.273 -2.382 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.386 0.184 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.617 -0.156 3.847 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.906 1.654 5.322 1.00 0.00 H new ATOM 288 N CYS A 20 -0.593 -6.869 3.141 1.00 0.00 N ATOM 289 CA CYS A 20 -0.440 -8.220 2.530 1.00 0.00 C ATOM 290 C CYS A 20 -1.500 -9.168 3.093 1.00 0.00 C ATOM 291 O CYS A 20 -2.066 -8.932 4.143 1.00 0.00 O ATOM 292 CB CYS A 20 0.953 -8.764 2.845 1.00 0.00 C ATOM 293 SG CYS A 20 2.200 -7.640 2.172 1.00 0.00 S ATOM 0 H CYS A 20 0.172 -6.579 3.750 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.567 -8.144 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.081 -8.865 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.073 -9.758 2.415 1.00 0.00 H new ATOM 298 N ASN A 21 -1.774 -10.242 2.402 1.00 0.00 N ATOM 299 CA ASN A 21 -2.796 -11.207 2.895 1.00 0.00 C ATOM 300 C ASN A 21 -2.176 -12.101 3.972 1.00 0.00 C ATOM 301 O ASN A 21 -2.044 -11.638 5.093 1.00 0.00 O ATOM 302 CB ASN A 21 -3.284 -12.075 1.731 1.00 0.00 C ATOM 303 CG ASN A 21 -4.746 -11.743 1.424 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.372 -10.984 2.137 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.320 -12.284 0.384 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.843 -13.232 3.656 1.00 0.00 O ATOM 0 H ASN A 21 -1.333 -10.492 1.517 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.638 -10.659 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.667 -11.900 0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.185 -13.131 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.294 -12.070 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.795 -12.921 -0.215 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.991 2.131 -1.741 1.00 0.00 N ATOM 315 CA PHE B 1 12.523 2.273 -1.529 1.00 0.00 C ATOM 316 C PHE B 1 12.261 3.313 -0.439 1.00 0.00 C ATOM 317 O PHE B 1 13.007 3.432 0.512 1.00 0.00 O ATOM 318 CB PHE B 1 11.936 0.928 -1.099 1.00 0.00 C ATOM 319 CG PHE B 1 11.001 0.422 -2.169 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.644 0.770 -2.136 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.491 -0.391 -3.198 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.777 0.303 -3.134 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.625 -0.859 -4.194 1.00 0.00 C ATOM 324 CZ PHE B 1 9.268 -0.512 -4.163 1.00 0.00 C ATOM 0 H1 PHE B 1 14.194 1.195 -2.146 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.320 2.870 -2.394 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.484 2.229 -0.831 1.00 0.00 H new ATOM 0 HA PHE B 1 12.054 2.595 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.736 0.207 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.401 1.038 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.266 1.398 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.537 -0.657 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.731 0.571 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.003 -1.488 -4.986 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.601 -0.872 -4.932 1.00 0.00 H new ATOM 336 N VAL B 2 11.204 4.069 -0.569 1.00 0.00 N ATOM 337 CA VAL B 2 10.895 5.101 0.460 1.00 0.00 C ATOM 338 C VAL B 2 9.430 5.496 0.360 1.00 0.00 C ATOM 339 O VAL B 2 8.633 4.829 -0.270 1.00 0.00 O ATOM 340 CB VAL B 2 11.755 6.347 0.239 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.878 6.365 1.270 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.344 6.333 -1.172 1.00 0.00 C ATOM 0 H VAL B 2 10.542 4.016 -1.343 1.00 0.00 H new ATOM 0 HA VAL B 2 11.107 4.684 1.445 1.00 0.00 H new ATOM 0 HB VAL B 2 11.140 7.240 0.351 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.496 7.250 1.119 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.451 6.387 2.273 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.491 5.471 1.156 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.955 7.224 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.962 5.444 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.536 6.321 -1.903 1.00 0.00 H new ATOM 352 N ASN B 3 9.069 6.582 0.976 1.00 0.00 N ATOM 353 CA ASN B 3 7.653 7.021 0.911 1.00 0.00 C ATOM 354 C ASN B 3 7.304 7.327 -0.551 1.00 0.00 C ATOM 355 O ASN B 3 8.094 7.892 -1.279 1.00 0.00 O ATOM 356 CB ASN B 3 7.427 8.270 1.787 1.00 0.00 C ATOM 357 CG ASN B 3 8.480 8.336 2.896 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.342 9.193 2.881 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.448 7.461 3.864 1.00 0.00 N ATOM 0 H ASN B 3 9.690 7.182 1.519 1.00 0.00 H new ATOM 0 HA ASN B 3 7.008 6.228 1.290 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.479 9.169 1.172 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.429 8.241 2.224 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.146 7.497 4.607 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.725 6.742 3.877 1.00 0.00 H new ATOM 366 N GLN B 4 6.131 6.950 -0.990 1.00 0.00 N ATOM 367 CA GLN B 4 5.743 7.214 -2.408 1.00 0.00 C ATOM 368 C GLN B 4 4.246 7.511 -2.488 1.00 0.00 C ATOM 369 O GLN B 4 3.436 6.834 -1.885 1.00 0.00 O ATOM 370 CB GLN B 4 6.049 5.982 -3.262 1.00 0.00 C ATOM 371 CG GLN B 4 6.620 6.424 -4.610 1.00 0.00 C ATOM 372 CD GLN B 4 7.598 5.367 -5.123 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.421 4.830 -6.199 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.629 5.042 -4.395 1.00 0.00 N ATOM 0 H GLN B 4 5.426 6.472 -0.429 1.00 0.00 H new ATOM 0 HA GLN B 4 6.308 8.070 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.761 5.337 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.142 5.397 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.813 6.567 -5.329 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.127 7.383 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.778 5.492 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.287 4.337 -4.728 1.00 0.00 H new ATOM 383 N HIS B 5 3.874 8.515 -3.230 1.00 0.00 N ATOM 384 CA HIS B 5 2.430 8.849 -3.354 1.00 0.00 C ATOM 385 C HIS B 5 1.763 7.824 -4.271 1.00 0.00 C ATOM 386 O HIS B 5 2.115 7.693 -5.428 1.00 0.00 O ATOM 387 CB HIS B 5 2.278 10.244 -3.960 1.00 0.00 C ATOM 388 CG HIS B 5 2.374 11.286 -2.880 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.267 11.675 -2.154 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.437 12.020 -2.429 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.681 12.621 -1.299 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.000 12.864 -1.430 1.00 0.00 N ATOM 0 H HIS B 5 4.507 9.118 -3.755 1.00 0.00 H new ATOM 0 HA HIS B 5 1.961 8.830 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.053 10.411 -4.708 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.319 10.325 -4.471 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.318 11.313 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.451 11.950 -2.795 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.038 13.125 -0.593 1.00 0.00 H new ATOM 400 N LEU B 6 0.809 7.092 -3.770 1.00 0.00 N ATOM 401 CA LEU B 6 0.133 6.075 -4.621 1.00 0.00 C ATOM 402 C LEU B 6 -1.381 6.290 -4.562 1.00 0.00 C ATOM 403 O LEU B 6 -1.871 7.066 -3.772 1.00 0.00 O ATOM 404 CB LEU B 6 0.478 4.678 -4.105 1.00 0.00 C ATOM 405 CG LEU B 6 1.997 4.505 -4.035 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.318 3.126 -3.465 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.598 4.612 -5.434 1.00 0.00 C ATOM 0 H LEU B 6 0.469 7.153 -2.810 1.00 0.00 H new ATOM 0 HA LEU B 6 0.470 6.173 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.041 4.528 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.048 3.922 -4.762 1.00 0.00 H new ATOM 0 HG LEU B 6 2.417 5.284 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.399 2.997 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.893 3.038 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.891 2.358 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.679 4.488 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.177 3.834 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.367 5.590 -5.855 1.00 0.00 H new ATOM 419 N CYS B 7 -2.125 5.612 -5.391 1.00 0.00 N ATOM 420 CA CYS B 7 -3.605 5.795 -5.377 1.00 0.00 C ATOM 421 C CYS B 7 -4.300 4.528 -5.878 1.00 0.00 C ATOM 422 O CYS B 7 -4.986 3.847 -5.142 1.00 0.00 O ATOM 423 CB CYS B 7 -3.977 6.969 -6.286 1.00 0.00 C ATOM 424 SG CYS B 7 -5.487 7.755 -5.668 1.00 0.00 S ATOM 0 H CYS B 7 -1.775 4.942 -6.075 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.929 5.997 -4.356 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.163 7.693 -6.315 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.128 6.619 -7.307 1.00 0.00 H new ATOM 429 N GLY B 8 -4.146 4.222 -7.131 1.00 0.00 N ATOM 430 CA GLY B 8 -4.815 3.011 -7.698 1.00 0.00 C ATOM 431 C GLY B 8 -3.781 1.968 -8.141 1.00 0.00 C ATOM 432 O GLY B 8 -3.250 1.227 -7.338 1.00 0.00 O ATOM 0 H GLY B 8 -3.585 4.756 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.479 2.575 -6.952 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.435 3.298 -8.548 1.00 0.00 H new ATOM 436 N SER B 9 -3.506 1.894 -9.419 1.00 0.00 N ATOM 437 CA SER B 9 -2.522 0.890 -9.921 1.00 0.00 C ATOM 438 C SER B 9 -1.250 0.976 -9.094 1.00 0.00 C ATOM 439 O SER B 9 -0.775 0.003 -8.544 1.00 0.00 O ATOM 440 CB SER B 9 -2.198 1.177 -11.387 1.00 0.00 C ATOM 441 OG SER B 9 -2.632 0.084 -12.186 1.00 0.00 O ATOM 0 H SER B 9 -3.922 2.487 -10.137 1.00 0.00 H new ATOM 0 HA SER B 9 -2.947 -0.110 -9.835 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.691 2.095 -11.707 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.126 1.330 -11.511 1.00 0.00 H new ATOM 0 HG SER B 9 -2.427 0.265 -13.127 1.00 0.00 H new ATOM 447 N HIS B 10 -0.698 2.144 -9.003 1.00 0.00 N ATOM 448 CA HIS B 10 0.555 2.330 -8.211 1.00 0.00 C ATOM 449 C HIS B 10 0.323 2.012 -6.724 1.00 0.00 C ATOM 450 O HIS B 10 1.238 2.076 -5.928 1.00 0.00 O ATOM 451 CB HIS B 10 1.075 3.770 -8.334 1.00 0.00 C ATOM 452 CG HIS B 10 -0.039 4.729 -8.671 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.348 4.770 -8.279 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.175 5.807 -9.504 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.952 5.867 -8.859 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.990 6.463 -9.593 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.058 2.990 -9.444 1.00 0.00 H new ATOM 0 HA HIS B 10 1.295 1.640 -8.616 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.545 4.070 -7.397 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.843 3.817 -9.106 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.102 6.071 -9.991 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.979 6.182 -8.748 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.132 7.308 -10.147 1.00 0.00 H new ATOM 464 N LEU B 11 -0.865 1.629 -6.338 1.00 0.00 N ATOM 465 CA LEU B 11 -1.096 1.272 -4.914 1.00 0.00 C ATOM 466 C LEU B 11 -1.166 -0.231 -4.864 1.00 0.00 C ATOM 467 O LEU B 11 -0.546 -0.886 -4.049 1.00 0.00 O ATOM 468 CB LEU B 11 -2.414 1.862 -4.410 1.00 0.00 C ATOM 469 CG LEU B 11 -2.131 3.089 -3.548 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.431 3.582 -2.918 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.155 2.704 -2.437 1.00 0.00 C ATOM 0 H LEU B 11 -1.680 1.549 -6.946 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.299 1.666 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.047 2.136 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.960 1.117 -3.831 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.702 3.878 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.228 4.458 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.139 3.847 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.856 2.793 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.948 3.576 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.594 1.918 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.226 2.343 -2.878 1.00 0.00 H new ATOM 483 N VAL B 12 -1.889 -0.776 -5.785 1.00 0.00 N ATOM 484 CA VAL B 12 -1.988 -2.239 -5.877 1.00 0.00 C ATOM 485 C VAL B 12 -0.653 -2.717 -6.411 1.00 0.00 C ATOM 486 O VAL B 12 -0.159 -3.773 -6.072 1.00 0.00 O ATOM 487 CB VAL B 12 -3.104 -2.608 -6.853 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.309 -1.697 -6.622 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.606 -2.433 -8.293 1.00 0.00 C ATOM 0 H VAL B 12 -2.422 -0.261 -6.486 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.214 -2.695 -4.913 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.395 -3.646 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.104 -1.962 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.667 -1.819 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.017 -0.659 -6.782 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.403 -2.697 -8.988 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.313 -1.395 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.747 -3.083 -8.462 1.00 0.00 H new ATOM 499 N GLU B 13 -0.064 -1.907 -7.243 1.00 0.00 N ATOM 500 CA GLU B 13 1.248 -2.258 -7.809 1.00 0.00 C ATOM 501 C GLU B 13 2.267 -2.120 -6.690 1.00 0.00 C ATOM 502 O GLU B 13 3.186 -2.904 -6.556 1.00 0.00 O ATOM 503 CB GLU B 13 1.592 -1.308 -8.957 1.00 0.00 C ATOM 504 CG GLU B 13 0.800 -1.708 -10.201 1.00 0.00 C ATOM 505 CD GLU B 13 1.753 -1.847 -11.390 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.501 -2.811 -11.414 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.719 -0.988 -12.255 1.00 0.00 O ATOM 0 H GLU B 13 -0.445 -1.013 -7.552 1.00 0.00 H new ATOM 0 HA GLU B 13 1.244 -3.274 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.357 -0.281 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.661 -1.344 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.280 -2.650 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.039 -0.958 -10.417 1.00 0.00 H new ATOM 514 N ALA B 14 2.079 -1.129 -5.863 1.00 0.00 N ATOM 515 CA ALA B 14 2.994 -0.925 -4.715 1.00 0.00 C ATOM 516 C ALA B 14 2.801 -2.088 -3.747 1.00 0.00 C ATOM 517 O ALA B 14 3.746 -2.717 -3.314 1.00 0.00 O ATOM 518 CB ALA B 14 2.639 0.391 -4.023 1.00 0.00 C ATOM 0 H ALA B 14 1.323 -0.448 -5.938 1.00 0.00 H new ATOM 0 HA ALA B 14 4.031 -0.883 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.308 0.549 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.747 1.214 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.609 0.350 -3.669 1.00 0.00 H new ATOM 524 N LEU B 15 1.572 -2.393 -3.420 1.00 0.00 N ATOM 525 CA LEU B 15 1.310 -3.530 -2.499 1.00 0.00 C ATOM 526 C LEU B 15 1.747 -4.816 -3.187 1.00 0.00 C ATOM 527 O LEU B 15 2.378 -5.672 -2.600 1.00 0.00 O ATOM 528 CB LEU B 15 -0.189 -3.613 -2.175 1.00 0.00 C ATOM 529 CG LEU B 15 -0.674 -2.379 -1.390 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.606 -2.843 -0.275 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.492 -1.622 -0.749 1.00 0.00 C ATOM 0 H LEU B 15 0.742 -1.902 -3.752 1.00 0.00 H new ATOM 0 HA LEU B 15 1.863 -3.386 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.757 -3.701 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.386 -4.514 -1.594 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.182 -1.713 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.957 -1.979 0.289 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.460 -3.365 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.068 -3.517 0.392 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.110 -0.759 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.019 -2.282 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.179 -1.286 -1.526 1.00 0.00 H new ATOM 543 N TYR B 16 1.421 -4.952 -4.436 1.00 0.00 N ATOM 544 CA TYR B 16 1.827 -6.178 -5.172 1.00 0.00 C ATOM 545 C TYR B 16 3.352 -6.260 -5.183 1.00 0.00 C ATOM 546 O TYR B 16 3.930 -7.318 -5.333 1.00 0.00 O ATOM 547 CB TYR B 16 1.311 -6.120 -6.613 1.00 0.00 C ATOM 548 CG TYR B 16 1.974 -7.208 -7.420 1.00 0.00 C ATOM 549 CD1 TYR B 16 2.106 -8.494 -6.880 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.464 -6.931 -8.702 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.726 -9.504 -7.622 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.086 -7.943 -9.445 1.00 0.00 C ATOM 553 CZ TYR B 16 3.217 -9.230 -8.905 1.00 0.00 C ATOM 554 OH TYR B 16 3.831 -10.226 -9.638 1.00 0.00 O ATOM 0 H TYR B 16 0.892 -4.270 -4.980 1.00 0.00 H new ATOM 0 HA TYR B 16 1.406 -7.055 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.228 -6.246 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.525 -5.145 -7.050 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.729 -8.705 -5.890 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.363 -5.939 -9.117 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.826 -10.496 -7.206 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.465 -7.731 -10.434 1.00 0.00 H new ATOM 0 HH TYR B 16 4.112 -9.868 -10.506 1.00 0.00 H new ATOM 564 N LEU B 17 4.006 -5.146 -5.024 1.00 0.00 N ATOM 565 CA LEU B 17 5.493 -5.148 -5.024 1.00 0.00 C ATOM 566 C LEU B 17 5.992 -5.348 -3.596 1.00 0.00 C ATOM 567 O LEU B 17 7.030 -5.936 -3.366 1.00 0.00 O ATOM 568 CB LEU B 17 6.007 -3.815 -5.568 1.00 0.00 C ATOM 569 CG LEU B 17 7.209 -4.073 -6.474 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.483 -2.832 -7.326 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.436 -4.384 -5.616 1.00 0.00 C ATOM 0 H LEU B 17 3.574 -4.231 -4.894 1.00 0.00 H new ATOM 0 HA LEU B 17 5.860 -5.957 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.219 -3.308 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.290 -3.158 -4.746 1.00 0.00 H new ATOM 0 HG LEU B 17 6.997 -4.920 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.341 -3.017 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.609 -2.610 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.695 -1.984 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.294 -4.568 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.648 -3.537 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.241 -5.269 -5.010 1.00 0.00 H new ATOM 583 N VAL B 18 5.258 -4.869 -2.634 1.00 0.00 N ATOM 584 CA VAL B 18 5.690 -5.041 -1.222 1.00 0.00 C ATOM 585 C VAL B 18 5.286 -6.435 -0.747 1.00 0.00 C ATOM 586 O VAL B 18 6.019 -7.104 -0.045 1.00 0.00 O ATOM 587 CB VAL B 18 5.027 -3.975 -0.347 1.00 0.00 C ATOM 588 CG1 VAL B 18 5.029 -2.634 -1.084 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.582 -4.376 -0.037 1.00 0.00 C ATOM 0 H VAL B 18 4.380 -4.367 -2.764 1.00 0.00 H new ATOM 0 HA VAL B 18 6.772 -4.931 -1.149 1.00 0.00 H new ATOM 0 HB VAL B 18 5.585 -3.885 0.585 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.557 -1.875 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.056 -2.339 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.476 -2.731 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.118 -3.612 0.586 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.024 -4.473 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.574 -5.329 0.492 1.00 0.00 H new ATOM 599 N CYS B 19 4.122 -6.872 -1.131 1.00 0.00 N ATOM 600 CA CYS B 19 3.658 -8.222 -0.713 1.00 0.00 C ATOM 601 C CYS B 19 4.249 -9.274 -1.653 1.00 0.00 C ATOM 602 O CYS B 19 4.303 -10.445 -1.336 1.00 0.00 O ATOM 603 CB CYS B 19 2.131 -8.275 -0.781 1.00 0.00 C ATOM 604 SG CYS B 19 1.440 -7.078 0.387 1.00 0.00 S ATOM 0 H CYS B 19 3.470 -6.352 -1.718 1.00 0.00 H new ATOM 0 HA CYS B 19 3.984 -8.423 0.308 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.792 -8.051 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.779 -9.279 -0.542 1.00 0.00 H new ATOM 609 N GLY B 20 4.697 -8.863 -2.809 1.00 0.00 N ATOM 610 CA GLY B 20 5.287 -9.838 -3.769 1.00 0.00 C ATOM 611 C GLY B 20 4.210 -10.829 -4.216 1.00 0.00 C ATOM 612 O GLY B 20 3.093 -10.454 -4.511 1.00 0.00 O ATOM 0 H GLY B 20 4.680 -7.895 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.694 -9.313 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.115 -10.371 -3.300 1.00 0.00 H new ATOM 616 N GLU B 21 4.536 -12.090 -4.265 1.00 0.00 N ATOM 617 CA GLU B 21 3.528 -13.101 -4.691 1.00 0.00 C ATOM 618 C GLU B 21 2.432 -13.204 -3.628 1.00 0.00 C ATOM 619 O GLU B 21 1.304 -13.553 -3.919 1.00 0.00 O ATOM 620 CB GLU B 21 4.208 -14.462 -4.860 1.00 0.00 C ATOM 621 CG GLU B 21 4.281 -14.815 -6.347 1.00 0.00 C ATOM 622 CD GLU B 21 5.627 -15.477 -6.649 1.00 0.00 C ATOM 623 OE1 GLU B 21 6.549 -15.283 -5.873 1.00 0.00 O ATOM 624 OE2 GLU B 21 5.712 -16.167 -7.652 1.00 0.00 O ATOM 0 H GLU B 21 5.455 -12.464 -4.029 1.00 0.00 H new ATOM 0 HA GLU B 21 3.087 -12.798 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.210 -14.435 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.651 -15.228 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.465 -15.487 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.162 -13.916 -6.951 1.00 0.00 H new ATOM 631 N ARG B 22 2.753 -12.902 -2.399 1.00 0.00 N ATOM 632 CA ARG B 22 1.728 -12.982 -1.321 1.00 0.00 C ATOM 633 C ARG B 22 0.480 -12.215 -1.750 1.00 0.00 C ATOM 634 O ARG B 22 -0.635 -12.640 -1.525 1.00 0.00 O ATOM 635 CB ARG B 22 2.289 -12.368 -0.036 1.00 0.00 C ATOM 636 CG ARG B 22 2.057 -13.327 1.133 1.00 0.00 C ATOM 637 CD ARG B 22 2.870 -12.864 2.342 1.00 0.00 C ATOM 638 NE ARG B 22 4.319 -13.095 2.082 1.00 0.00 N ATOM 639 CZ ARG B 22 5.216 -12.375 2.699 1.00 0.00 C ATOM 640 NH1 ARG B 22 5.440 -12.561 3.972 1.00 0.00 N ATOM 641 NH2 ARG B 22 5.889 -11.469 2.044 1.00 0.00 N ATOM 0 H ARG B 22 3.680 -12.604 -2.096 1.00 0.00 H new ATOM 0 HA ARG B 22 1.470 -14.026 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.355 -12.169 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.806 -11.411 0.163 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.997 -13.360 1.385 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.349 -14.339 0.851 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.688 -11.807 2.533 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.558 -13.408 3.234 1.00 0.00 H new ATOM 0 HE ARG B 22 4.610 -13.816 1.422 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.914 -13.269 4.484 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.141 -11.998 4.454 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.714 -11.323 1.050 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.590 -10.906 2.526 1.00 0.00 H new ATOM 655 N GLY B 23 0.667 -11.088 -2.366 1.00 0.00 N ATOM 656 CA GLY B 23 -0.498 -10.276 -2.819 1.00 0.00 C ATOM 657 C GLY B 23 -1.076 -9.503 -1.633 1.00 0.00 C ATOM 658 O GLY B 23 -0.506 -9.476 -0.559 1.00 0.00 O ATOM 0 H GLY B 23 1.581 -10.688 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.189 -9.583 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.261 -10.925 -3.250 1.00 0.00 H new ATOM 662 N PHE B 24 -2.201 -8.866 -1.818 1.00 0.00 N ATOM 663 CA PHE B 24 -2.809 -8.088 -0.701 1.00 0.00 C ATOM 664 C PHE B 24 -4.316 -7.951 -0.935 1.00 0.00 C ATOM 665 O PHE B 24 -4.858 -8.483 -1.884 1.00 0.00 O ATOM 666 CB PHE B 24 -2.175 -6.695 -0.651 1.00 0.00 C ATOM 667 CG PHE B 24 -2.172 -6.094 -2.037 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.372 -6.656 -3.041 1.00 0.00 C ATOM 669 CD2 PHE B 24 -2.970 -4.979 -2.319 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.369 -6.103 -4.327 1.00 0.00 C ATOM 671 CE2 PHE B 24 -2.965 -4.424 -3.606 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.167 -4.986 -4.612 1.00 0.00 C ATOM 0 H PHE B 24 -2.724 -8.851 -2.693 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.633 -8.606 0.242 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.731 -6.055 0.034 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.156 -6.761 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.757 -7.517 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.589 -4.547 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.752 -6.537 -5.100 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.577 -3.561 -3.823 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.167 -4.560 -5.604 1.00 0.00 H new ATOM 682 N PHE B 25 -4.995 -7.239 -0.078 1.00 0.00 N ATOM 683 CA PHE B 25 -6.465 -7.063 -0.251 1.00 0.00 C ATOM 684 C PHE B 25 -6.747 -5.651 -0.761 1.00 0.00 C ATOM 685 O PHE B 25 -7.667 -5.424 -1.521 1.00 0.00 O ATOM 686 CB PHE B 25 -7.168 -7.275 1.092 1.00 0.00 C ATOM 687 CG PHE B 25 -8.610 -7.655 0.852 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.549 -6.668 0.524 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.008 -8.994 0.959 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.887 -7.020 0.302 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.346 -9.345 0.739 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.285 -8.360 0.410 1.00 0.00 C ATOM 0 H PHE B 25 -4.595 -6.771 0.735 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.838 -7.792 -0.971 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.664 -8.058 1.659 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.115 -6.365 1.690 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.241 -5.636 0.442 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.284 -9.755 1.211 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.611 -6.260 0.048 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.654 -10.377 0.823 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.316 -8.632 0.239 1.00 0.00 H new ATOM 702 N TYR B 26 -5.954 -4.706 -0.349 1.00 0.00 N ATOM 703 CA TYR B 26 -6.156 -3.301 -0.804 1.00 0.00 C ATOM 704 C TYR B 26 -7.601 -2.871 -0.542 1.00 0.00 C ATOM 705 O TYR B 26 -8.515 -3.276 -1.232 1.00 0.00 O ATOM 706 CB TYR B 26 -5.860 -3.202 -2.300 1.00 0.00 C ATOM 707 CG TYR B 26 -5.931 -1.759 -2.734 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.289 -0.767 -1.980 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.641 -1.412 -3.890 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.361 0.574 -2.383 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.714 -0.071 -4.292 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.074 0.920 -3.539 1.00 0.00 C ATOM 713 OH TYR B 26 -6.147 2.241 -3.933 1.00 0.00 O ATOM 0 H TYR B 26 -5.169 -4.845 0.287 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.481 -2.646 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.871 -3.608 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.578 -3.798 -2.864 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.740 -1.035 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.132 -2.178 -4.472 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.867 1.340 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.264 0.197 -5.182 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.447 2.424 -4.594 1.00 0.00 H new ATOM 723 N THR B 27 -7.814 -2.047 0.446 1.00 0.00 N ATOM 724 CA THR B 27 -9.199 -1.588 0.750 1.00 0.00 C ATOM 725 C THR B 27 -9.485 -0.296 -0.021 1.00 0.00 C ATOM 726 O THR B 27 -8.622 0.248 -0.680 1.00 0.00 O ATOM 727 CB THR B 27 -9.332 -1.328 2.252 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.246 -0.523 2.689 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.319 -2.660 3.005 1.00 0.00 C ATOM 0 H THR B 27 -7.089 -1.671 1.057 1.00 0.00 H new ATOM 0 HA THR B 27 -9.913 -2.356 0.452 1.00 0.00 H new ATOM 0 HB THR B 27 -10.271 -0.811 2.451 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.330 -0.354 3.651 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.414 -2.474 4.075 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.153 -3.276 2.669 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.381 -3.180 2.809 1.00 0.00 H new ATOM 737 N LYS B 28 -10.690 0.199 0.058 1.00 0.00 N ATOM 738 CA LYS B 28 -11.027 1.455 -0.669 1.00 0.00 C ATOM 739 C LYS B 28 -12.371 1.991 -0.162 1.00 0.00 C ATOM 740 O LYS B 28 -13.149 1.259 0.416 1.00 0.00 O ATOM 741 CB LYS B 28 -11.119 1.166 -2.171 1.00 0.00 C ATOM 742 CG LYS B 28 -12.420 0.417 -2.475 1.00 0.00 C ATOM 743 CD LYS B 28 -12.399 -0.074 -3.924 1.00 0.00 C ATOM 744 CE LYS B 28 -13.412 0.722 -4.749 1.00 0.00 C ATOM 745 NZ LYS B 28 -12.929 0.835 -6.154 1.00 0.00 N ATOM 0 H LYS B 28 -11.455 -0.212 0.594 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.251 2.200 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.086 2.099 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.263 0.571 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.533 -0.427 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.276 1.073 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.400 0.043 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.638 -1.137 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.384 0.229 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.548 1.714 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.617 1.376 -6.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.011 1.324 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.821 -0.116 -6.562 1.00 0.00 H new ATOM 759 N PRO B 29 -12.600 3.258 -0.396 1.00 0.00 N ATOM 760 CA PRO B 29 -13.842 3.930 0.023 1.00 0.00 C ATOM 761 C PRO B 29 -14.986 3.573 -0.928 1.00 0.00 C ATOM 762 O PRO B 29 -15.134 4.157 -1.984 1.00 0.00 O ATOM 763 CB PRO B 29 -13.494 5.417 -0.069 1.00 0.00 C ATOM 764 CG PRO B 29 -12.306 5.527 -1.054 1.00 0.00 C ATOM 765 CD PRO B 29 -11.646 4.137 -1.103 1.00 0.00 C ATOM 0 HA PRO B 29 -14.175 3.639 1.019 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.348 5.994 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -13.225 5.814 0.910 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.650 5.828 -2.044 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.595 6.282 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.487 3.808 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.671 4.141 -0.615 1.00 0.00 H new ATOM 773 N THR B 30 -15.796 2.616 -0.565 1.00 0.00 N ATOM 774 CA THR B 30 -16.927 2.222 -1.451 1.00 0.00 C ATOM 775 C THR B 30 -16.425 2.092 -2.889 1.00 0.00 C ATOM 776 O THR B 30 -17.150 2.488 -3.787 1.00 0.00 O ATOM 777 CB THR B 30 -18.023 3.288 -1.386 1.00 0.00 C ATOM 778 OG1 THR B 30 -17.432 4.578 -1.468 1.00 0.00 O ATOM 779 CG2 THR B 30 -18.789 3.158 -0.068 1.00 0.00 C ATOM 780 OXT THR B 30 -15.324 1.600 -3.069 1.00 0.00 O ATOM 0 H THR B 30 -15.723 2.091 0.306 1.00 0.00 H new ATOM 0 HA THR B 30 -17.332 1.266 -1.120 1.00 0.00 H new ATOM 0 HB THR B 30 -18.713 3.150 -2.218 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.717 4.568 -2.138 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.569 3.918 -0.024 1.00 0.00 H new ATOM 0 HG22 THR B 30 -19.243 2.169 -0.007 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.102 3.294 0.767 1.00 0.00 H new TER 788 THR B 30