USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 389 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+ -155:sc= 0.395 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.37 K(o=0.77,f=-0.24) USER MOD Single : A 8 THR OG1 : rot -37:sc= 0.00151 USER MOD Single : A 9 SER OG : rot 30:sc= 1.26 USER MOD Single : A 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 18 ASN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 19 TYR OH : rot -168:sc= -0.26 USER MOD Single : A 21 ASN : amide:sc=-0.00538 X(o=-0.0054,f=-0.082) USER MOD Single : B 1 PHE N :NH3+ 128:sc= 0.12 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0242 K(o=-0.024,f=-0.55) USER MOD Single : B 4 GLN : amide:sc=-0.00207 X(o=-0.0021,f=-0.23) USER MOD Single : B 5 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-6.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.182 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 172:sc= -0.0162 (180deg=-0.153) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0702 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.544 -1.381 -1.105 1.00 25.00 N ATOM 2 CA GLY A 1 1.339 0.069 -1.323 1.00 25.00 C ATOM 3 C GLY A 1 1.059 0.363 -2.770 1.00 25.00 C ATOM 4 O GLY A 1 1.374 -0.456 -3.614 1.00 25.00 O ATOM 0 H1 GLY A 1 1.316 -1.619 -0.119 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.924 -1.919 -1.743 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.536 -1.624 -1.300 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.508 0.418 -0.710 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.225 0.617 -1.002 1.00 25.00 H new ATOM 10 N ILE A 2 0.454 1.503 -3.074 1.00 25.00 N ATOM 11 CA ILE A 2 -0.025 1.775 -4.434 1.00 25.00 C ATOM 12 C ILE A 2 1.066 1.683 -5.509 1.00 25.00 C ATOM 13 O ILE A 2 0.827 1.179 -6.601 1.00 25.00 O ATOM 14 CB ILE A 2 -0.765 3.146 -4.489 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.597 3.223 -5.777 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.226 4.343 -4.336 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.512 4.419 -5.854 1.00 25.00 C ATOM 0 H ILE A 2 0.281 2.254 -2.406 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.731 0.980 -4.674 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.446 3.221 -3.642 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.921 3.242 -6.632 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.195 2.316 -5.864 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.327 5.281 -4.379 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.741 4.269 -3.378 1.00 25.00 H new ATOM 0 HG23 ILE A 2 0.957 4.315 -5.144 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.062 4.396 -6.795 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.215 4.393 -5.022 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.921 5.333 -5.801 1.00 25.00 H new ATOM 29 N VAL A 3 2.282 2.093 -5.184 1.00 25.00 N ATOM 30 CA VAL A 3 3.374 2.011 -6.147 1.00 25.00 C ATOM 31 C VAL A 3 3.740 0.552 -6.430 1.00 25.00 C ATOM 32 O VAL A 3 4.012 0.205 -7.567 1.00 25.00 O ATOM 33 CB VAL A 3 4.596 2.866 -5.689 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.128 2.408 -4.321 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.704 2.845 -6.753 1.00 25.00 C ATOM 0 H VAL A 3 2.538 2.481 -4.276 1.00 25.00 H new ATOM 0 HA VAL A 3 3.038 2.439 -7.091 1.00 25.00 H new ATOM 0 HB VAL A 3 4.256 3.895 -5.574 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.979 3.027 -4.036 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.341 2.506 -3.573 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.442 1.366 -4.383 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.546 3.447 -6.413 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.034 1.819 -6.915 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.319 3.254 -7.687 1.00 25.00 H new ATOM 45 N GLU A 4 3.673 -0.325 -5.437 1.00 25.00 N ATOM 46 CA GLU A 4 3.937 -1.746 -5.678 1.00 25.00 C ATOM 47 C GLU A 4 2.789 -2.333 -6.483 1.00 25.00 C ATOM 48 O GLU A 4 3.013 -3.074 -7.430 1.00 25.00 O ATOM 49 CB GLU A 4 4.075 -2.532 -4.369 1.00 25.00 C ATOM 50 CG GLU A 4 5.361 -2.247 -3.593 1.00 25.00 C ATOM 51 CD GLU A 4 5.312 -0.949 -2.836 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.287 -0.439 -2.437 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.477 -0.411 -2.667 1.00 25.00 O ATOM 0 H GLU A 4 3.443 -0.088 -4.472 1.00 25.00 H new ATOM 0 HA GLU A 4 4.878 -1.825 -6.222 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.222 -2.303 -3.731 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.029 -3.598 -4.593 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.546 -3.063 -2.894 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.201 -2.225 -4.287 1.00 25.00 H new ATOM 61 N GLN A 5 1.567 -1.976 -6.112 1.00 25.00 N ATOM 62 CA GLN A 5 0.370 -2.472 -6.786 1.00 25.00 C ATOM 63 C GLN A 5 0.384 -2.119 -8.273 1.00 25.00 C ATOM 64 O GLN A 5 0.009 -2.931 -9.107 1.00 25.00 O ATOM 65 CB GLN A 5 -0.880 -1.882 -6.121 1.00 25.00 C ATOM 66 CG GLN A 5 -1.633 -2.862 -5.210 1.00 25.00 C ATOM 67 CD GLN A 5 -0.795 -3.380 -4.046 1.00 25.00 C ATOM 68 OE1 GLN A 5 -0.375 -2.631 -3.166 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.560 -4.666 -4.033 1.00 25.00 N ATOM 0 H GLN A 5 1.376 -1.338 -5.340 1.00 25.00 H new ATOM 0 HA GLN A 5 0.354 -3.558 -6.697 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.588 -1.010 -5.535 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.559 -1.531 -6.898 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.522 -2.369 -4.816 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.975 -3.708 -5.805 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.924 -5.258 -4.779 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.013 -5.077 -3.276 1.00 25.00 H new ATOM 78 N CYS A 6 0.861 -0.934 -8.611 1.00 25.00 N ATOM 79 CA CYS A 6 0.956 -0.539 -10.011 1.00 25.00 C ATOM 80 C CYS A 6 2.185 -1.110 -10.712 1.00 25.00 C ATOM 81 O CYS A 6 2.140 -1.391 -11.907 1.00 25.00 O ATOM 82 CB CYS A 6 0.963 0.984 -10.125 1.00 25.00 C ATOM 83 SG CYS A 6 -0.718 1.669 -9.987 1.00 25.00 S ATOM 0 H CYS A 6 1.186 -0.233 -7.945 1.00 25.00 H new ATOM 0 HA CYS A 6 0.081 -0.953 -10.512 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.595 1.406 -9.343 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.399 1.277 -11.080 1.00 25.00 H new ATOM 88 N CYS A 7 3.285 -1.258 -9.988 1.00 25.00 N ATOM 89 CA CYS A 7 4.532 -1.717 -10.587 1.00 25.00 C ATOM 90 C CYS A 7 4.493 -3.213 -10.909 1.00 25.00 C ATOM 91 O CYS A 7 4.781 -3.620 -12.029 1.00 25.00 O ATOM 92 CB CYS A 7 5.702 -1.426 -9.639 1.00 25.00 C ATOM 93 SG CYS A 7 7.358 -1.624 -10.375 1.00 25.00 S ATOM 0 H CYS A 7 3.341 -1.068 -8.987 1.00 25.00 H new ATOM 0 HA CYS A 7 4.667 -1.176 -11.524 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.605 -0.405 -9.269 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.623 -2.087 -8.776 1.00 25.00 H new ATOM 98 N THR A 8 4.182 -4.028 -9.907 1.00 25.00 N ATOM 99 CA THR A 8 4.236 -5.485 -10.060 1.00 25.00 C ATOM 100 C THR A 8 2.937 -6.086 -10.588 1.00 25.00 C ATOM 101 O THR A 8 2.919 -7.213 -11.080 1.00 25.00 O ATOM 102 CB THR A 8 4.634 -6.170 -8.717 1.00 25.00 C ATOM 103 OG1 THR A 8 5.234 -7.437 -8.992 1.00 25.00 O ATOM 104 CG2 THR A 8 3.439 -6.405 -7.791 1.00 25.00 C ATOM 0 H THR A 8 3.891 -3.711 -8.982 1.00 25.00 H new ATOM 0 HA THR A 8 5.003 -5.679 -10.810 1.00 25.00 H new ATOM 0 HB THR A 8 5.326 -5.495 -8.213 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.784 -7.853 -9.756 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.779 -6.884 -6.873 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.972 -5.450 -7.550 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.714 -7.048 -8.289 1.00 25.00 H new ATOM 112 N SER A 9 1.844 -5.345 -10.481 1.00 25.00 N ATOM 113 CA SER A 9 0.545 -5.841 -10.911 1.00 25.00 C ATOM 114 C SER A 9 -0.197 -4.732 -11.647 1.00 25.00 C ATOM 115 O SER A 9 0.411 -3.751 -12.042 1.00 25.00 O ATOM 116 CB SER A 9 -0.247 -6.399 -9.717 1.00 25.00 C ATOM 117 OG SER A 9 -0.256 -5.503 -8.621 1.00 25.00 O ATOM 0 H SER A 9 1.831 -4.399 -10.100 1.00 25.00 H new ATOM 0 HA SER A 9 0.674 -6.672 -11.605 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.272 -6.604 -10.026 1.00 25.00 H new ATOM 0 HB3 SER A 9 0.188 -7.349 -9.405 1.00 25.00 H new ATOM 0 HG SER A 9 -0.196 -4.582 -8.951 1.00 25.00 H new ATOM 123 N ILE A 10 -1.430 -4.987 -12.049 1.00 25.00 N ATOM 124 CA ILE A 10 -2.099 -4.109 -13.009 1.00 25.00 C ATOM 125 C ILE A 10 -2.498 -2.774 -12.389 1.00 25.00 C ATOM 126 O ILE A 10 -3.255 -2.710 -11.424 1.00 25.00 O ATOM 127 CB ILE A 10 -3.344 -4.812 -13.618 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.911 -6.059 -14.429 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.172 -3.828 -14.483 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.086 -5.776 -15.694 1.00 25.00 C ATOM 0 H ILE A 10 -1.987 -5.782 -11.734 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.382 -3.899 -13.803 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.988 -5.145 -12.804 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.330 -6.711 -13.776 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.805 -6.612 -14.717 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -5.037 -4.346 -14.897 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.509 -2.996 -13.865 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.553 -3.449 -15.296 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.837 -6.717 -16.184 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.667 -5.155 -16.376 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.168 -5.255 -15.421 1.00 25.00 H new ATOM 142 N CYS A 11 -2.004 -1.705 -12.995 1.00 25.00 N ATOM 143 CA CYS A 11 -2.341 -0.356 -12.580 1.00 25.00 C ATOM 144 C CYS A 11 -3.534 0.102 -13.416 1.00 25.00 C ATOM 145 O CYS A 11 -3.387 0.509 -14.568 1.00 25.00 O ATOM 146 CB CYS A 11 -1.144 0.559 -12.809 1.00 25.00 C ATOM 147 SG CYS A 11 -1.211 2.142 -11.903 1.00 25.00 S ATOM 0 H CYS A 11 -1.361 -1.750 -13.785 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.596 -0.324 -11.521 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -0.237 0.028 -12.519 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.063 0.769 -13.875 1.00 25.00 H new ATOM 152 N SER A 12 -4.727 -0.031 -12.862 1.00 25.00 N ATOM 153 CA SER A 12 -5.941 0.362 -13.571 1.00 25.00 C ATOM 154 C SER A 12 -6.044 1.882 -13.553 1.00 25.00 C ATOM 155 O SER A 12 -5.358 2.545 -12.780 1.00 25.00 O ATOM 156 CB SER A 12 -7.163 -0.253 -12.895 1.00 25.00 C ATOM 157 OG SER A 12 -7.295 0.232 -11.570 1.00 25.00 O ATOM 0 H SER A 12 -4.885 -0.406 -11.927 1.00 25.00 H new ATOM 0 HA SER A 12 -5.901 0.006 -14.600 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.060 -0.015 -13.467 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.071 -1.339 -12.883 1.00 25.00 H new ATOM 0 HG SER A 12 -7.982 -0.284 -11.100 1.00 25.00 H new ATOM 163 N LEU A 13 -6.931 2.441 -14.365 1.00 25.00 N ATOM 164 CA LEU A 13 -7.114 3.893 -14.392 1.00 25.00 C ATOM 165 C LEU A 13 -7.566 4.415 -13.025 1.00 25.00 C ATOM 166 O LEU A 13 -7.252 5.529 -12.654 1.00 25.00 O ATOM 167 CB LEU A 13 -8.108 4.293 -15.496 1.00 25.00 C ATOM 168 CG LEU A 13 -9.588 3.914 -15.305 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.379 5.074 -14.702 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.197 3.520 -16.647 1.00 25.00 C ATOM 0 H LEU A 13 -7.530 1.923 -15.008 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.153 4.354 -14.620 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.053 5.375 -15.619 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.767 3.848 -16.431 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.638 3.070 -14.617 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.421 4.778 -14.578 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.958 5.336 -13.731 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.323 5.937 -15.366 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.244 3.253 -16.507 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -10.126 4.359 -17.339 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.656 2.666 -17.055 1.00 25.00 H new ATOM 182 N TYR A 14 -8.249 3.579 -12.257 1.00 25.00 N ATOM 183 CA TYR A 14 -8.712 3.957 -10.924 1.00 25.00 C ATOM 184 C TYR A 14 -7.538 4.111 -9.963 1.00 25.00 C ATOM 185 O TYR A 14 -7.504 5.012 -9.133 1.00 25.00 O ATOM 186 CB TYR A 14 -9.660 2.885 -10.404 1.00 25.00 C ATOM 187 CG TYR A 14 -10.661 2.439 -11.444 1.00 25.00 C ATOM 188 CD1 TYR A 14 -11.689 3.301 -11.878 1.00 25.00 C ATOM 189 CD2 TYR A 14 -10.581 1.150 -12.010 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.616 2.885 -12.874 1.00 25.00 C ATOM 191 CE2 TYR A 14 -11.506 0.732 -13.006 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.511 1.609 -13.430 1.00 25.00 C ATOM 193 OH TYR A 14 -13.401 1.219 -14.398 1.00 25.00 O ATOM 0 H TYR A 14 -8.497 2.629 -12.533 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.228 4.915 -10.990 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.081 2.024 -10.070 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.193 3.268 -9.533 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -11.774 4.289 -11.449 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.807 0.471 -11.683 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.399 3.555 -13.199 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.433 -0.257 -13.433 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.194 0.305 -14.684 1.00 25.00 H new ATOM 203 N GLN A 15 -6.551 3.242 -10.111 1.00 25.00 N ATOM 204 CA GLN A 15 -5.337 3.326 -9.304 1.00 25.00 C ATOM 205 C GLN A 15 -4.587 4.592 -9.707 1.00 25.00 C ATOM 206 O GLN A 15 -4.069 5.303 -8.865 1.00 25.00 O ATOM 207 CB GLN A 15 -4.454 2.093 -9.524 1.00 25.00 C ATOM 208 CG GLN A 15 -5.074 0.789 -9.017 1.00 25.00 C ATOM 209 CD GLN A 15 -5.012 0.668 -7.505 1.00 25.00 C ATOM 210 OE1 GLN A 15 -3.941 0.587 -6.926 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.153 0.645 -6.867 1.00 25.00 N ATOM 0 H GLN A 15 -6.563 2.472 -10.779 1.00 25.00 H new ATOM 0 HA GLN A 15 -5.597 3.362 -8.246 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -4.244 1.994 -10.589 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -3.498 2.248 -9.023 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.113 0.734 -9.341 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.555 -0.057 -9.468 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.029 0.715 -7.385 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.167 0.557 -5.851 1.00 25.00 H new ATOM 220 N LEU A 16 -4.579 4.902 -10.994 1.00 25.00 N ATOM 221 CA LEU A 16 -3.929 6.118 -11.480 1.00 25.00 C ATOM 222 C LEU A 16 -4.619 7.381 -10.943 1.00 25.00 C ATOM 223 O LEU A 16 -3.953 8.338 -10.579 1.00 25.00 O ATOM 224 CB LEU A 16 -3.893 6.127 -13.013 1.00 25.00 C ATOM 225 CG LEU A 16 -2.951 5.079 -13.634 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.179 4.965 -15.127 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.490 5.430 -13.393 1.00 25.00 C ATOM 0 H LEU A 16 -5.012 4.334 -11.722 1.00 25.00 H new ATOM 0 HA LEU A 16 -2.905 6.122 -11.106 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.902 5.958 -13.389 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.588 7.117 -13.351 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.176 4.128 -13.151 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.502 4.219 -15.543 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.210 4.665 -15.316 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.990 5.929 -15.599 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.854 4.669 -13.845 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.270 6.399 -13.840 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.298 5.473 -12.321 1.00 25.00 H new ATOM 239 N GLU A 17 -5.940 7.360 -10.823 1.00 25.00 N ATOM 240 CA GLU A 17 -6.679 8.496 -10.256 1.00 25.00 C ATOM 241 C GLU A 17 -6.287 8.784 -8.802 1.00 25.00 C ATOM 242 O GLU A 17 -6.395 9.909 -8.350 1.00 25.00 O ATOM 243 CB GLU A 17 -8.187 8.228 -10.311 1.00 25.00 C ATOM 244 CG GLU A 17 -8.784 8.351 -11.700 1.00 25.00 C ATOM 245 CD GLU A 17 -10.239 7.984 -11.735 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.658 6.880 -11.518 1.00 25.00 O ATOM 247 OE2 GLU A 17 -11.010 8.967 -12.035 1.00 25.00 O ATOM 0 H GLU A 17 -6.526 6.575 -11.108 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.421 9.367 -10.859 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.382 7.225 -9.930 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.694 8.926 -9.645 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.662 9.374 -12.055 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.234 7.708 -12.387 1.00 25.00 H new ATOM 255 N ASN A 18 -5.816 7.776 -8.082 1.00 25.00 N ATOM 256 CA ASN A 18 -5.404 7.964 -6.683 1.00 25.00 C ATOM 257 C ASN A 18 -4.105 8.781 -6.567 1.00 25.00 C ATOM 258 O ASN A 18 -3.861 9.409 -5.551 1.00 25.00 O ATOM 259 CB ASN A 18 -5.244 6.619 -5.970 1.00 25.00 C ATOM 260 CG ASN A 18 -6.539 6.114 -5.379 1.00 25.00 C ATOM 261 OD1 ASN A 18 -6.695 6.070 -4.174 1.00 25.00 O ATOM 262 ND2 ASN A 18 -7.455 5.705 -6.214 1.00 25.00 N ATOM 0 H ASN A 18 -5.707 6.824 -8.432 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.198 8.529 -6.196 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.860 5.882 -6.675 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.502 6.719 -5.177 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -8.337 5.333 -5.862 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -7.289 5.757 -7.219 1.00 25.00 H new ATOM 269 N TYR A 19 -3.263 8.739 -7.592 1.00 25.00 N ATOM 270 CA TYR A 19 -2.013 9.521 -7.607 1.00 25.00 C ATOM 271 C TYR A 19 -2.290 10.982 -7.992 1.00 25.00 C ATOM 272 O TYR A 19 -1.395 11.829 -7.965 1.00 25.00 O ATOM 273 CB TYR A 19 -1.070 8.989 -8.676 1.00 25.00 C ATOM 274 CG TYR A 19 -0.467 7.639 -8.415 1.00 25.00 C ATOM 275 CD1 TYR A 19 0.761 7.519 -7.740 1.00 25.00 C ATOM 276 CD2 TYR A 19 -1.096 6.472 -8.874 1.00 25.00 C ATOM 277 CE1 TYR A 19 1.355 6.251 -7.541 1.00 25.00 C ATOM 278 CE2 TYR A 19 -0.509 5.205 -8.680 1.00 25.00 C ATOM 279 CZ TYR A 19 0.714 5.107 -8.022 1.00 25.00 C ATOM 280 OH TYR A 19 1.286 3.877 -7.847 1.00 25.00 O ATOM 0 H TYR A 19 -3.415 8.175 -8.428 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.581 9.446 -6.609 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.612 8.945 -9.620 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.260 9.707 -8.806 1.00 25.00 H new ATOM 0 HD1 TYR A 19 1.256 8.405 -7.370 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.045 6.545 -9.384 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.298 6.168 -7.021 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -1.005 4.316 -9.040 1.00 25.00 H new ATOM 0 HH TYR A 19 0.817 3.217 -8.398 1.00 25.00 H new ATOM 290 N CYS A 20 -3.495 11.238 -8.482 1.00 25.00 N ATOM 291 CA CYS A 20 -3.833 12.538 -9.045 1.00 25.00 C ATOM 292 C CYS A 20 -3.918 13.594 -7.947 1.00 25.00 C ATOM 293 O CYS A 20 -4.294 13.311 -6.816 1.00 25.00 O ATOM 294 CB CYS A 20 -5.161 12.449 -9.798 1.00 25.00 C ATOM 295 SG CYS A 20 -5.292 13.597 -11.206 1.00 25.00 S ATOM 0 H CYS A 20 -4.257 10.560 -8.501 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.048 12.832 -9.742 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.294 11.430 -10.160 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.976 12.649 -9.102 1.00 25.00 H new ATOM 300 N ASN A 21 -3.561 14.835 -8.290 1.00 25.00 N ATOM 301 CA ASN A 21 -3.576 15.937 -7.312 1.00 25.00 C ATOM 302 C ASN A 21 -4.983 16.268 -6.804 1.00 25.00 C ATOM 303 O ASN A 21 -5.228 16.669 -5.693 1.00 25.00 O ATOM 304 CB ASN A 21 -2.903 17.201 -7.870 1.00 25.00 C ATOM 305 CG ASN A 21 -2.603 18.146 -6.743 1.00 25.00 C ATOM 306 OD1 ASN A 21 -1.902 17.858 -5.809 1.00 25.00 O ATOM 307 ND2 ASN A 21 -3.141 19.354 -6.837 1.00 25.00 N ATOM 308 OXT ASN A 21 -5.925 16.147 -7.688 1.00 25.00 O ATOM 0 H ASN A 21 -3.260 15.105 -9.227 1.00 25.00 H new ATOM 0 HA ASN A 21 -2.999 15.580 -6.459 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -1.983 16.936 -8.392 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -3.556 17.682 -8.599 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -2.962 20.050 -6.113 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -3.734 19.588 -7.633 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.994 2.985 -22.186 1.00 25.00 N ATOM 318 CA PHE B 1 -7.761 2.597 -21.442 1.00 25.00 C ATOM 319 C PHE B 1 -7.520 1.107 -21.589 1.00 25.00 C ATOM 320 O PHE B 1 -8.460 0.380 -21.859 1.00 25.00 O ATOM 321 CB PHE B 1 -7.918 2.973 -19.960 1.00 25.00 C ATOM 322 CG PHE B 1 -6.626 2.936 -19.184 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.701 3.994 -19.291 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.322 1.845 -18.342 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.479 3.961 -18.577 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.100 1.805 -17.624 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.177 2.861 -17.749 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.626 3.518 -21.556 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.736 3.578 -23.000 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.481 2.129 -22.522 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.903 3.129 -21.853 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.344 3.974 -19.892 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.630 2.291 -19.495 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.927 4.839 -19.925 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -7.027 1.033 -18.244 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.779 4.778 -18.667 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.877 0.966 -16.982 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.240 2.828 -17.212 1.00 25.00 H new ATOM 339 N VAL B 2 -6.283 0.651 -21.436 1.00 25.00 N ATOM 340 CA VAL B 2 -5.950 -0.770 -21.571 1.00 25.00 C ATOM 341 C VAL B 2 -5.069 -1.128 -20.379 1.00 25.00 C ATOM 342 O VAL B 2 -4.306 -0.286 -19.903 1.00 25.00 O ATOM 343 CB VAL B 2 -5.239 -1.068 -22.942 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.863 -0.381 -23.034 1.00 25.00 C ATOM 345 CG2 VAL B 2 -5.094 -2.579 -23.172 1.00 25.00 C ATOM 0 H VAL B 2 -5.485 1.247 -21.216 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.852 -1.383 -21.573 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.873 -0.655 -23.726 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.405 -0.612 -23.996 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.988 0.698 -22.941 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.221 -0.742 -22.230 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -4.599 -2.756 -24.127 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.499 -3.014 -22.369 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.081 -3.042 -23.183 1.00 25.00 H new ATOM 355 N ASN B 3 -5.223 -2.331 -19.844 1.00 25.00 N ATOM 356 CA ASN B 3 -4.447 -2.724 -18.677 1.00 25.00 C ATOM 357 C ASN B 3 -2.990 -2.916 -19.025 1.00 25.00 C ATOM 358 O ASN B 3 -2.652 -3.458 -20.070 1.00 25.00 O ATOM 359 CB ASN B 3 -4.951 -4.023 -18.041 1.00 25.00 C ATOM 360 CG ASN B 3 -4.779 -5.234 -18.932 1.00 25.00 C ATOM 361 OD1 ASN B 3 -3.791 -5.935 -18.834 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.757 -5.516 -19.754 1.00 25.00 N ATOM 0 H ASN B 3 -5.867 -3.041 -20.192 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.566 -1.908 -17.964 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.418 -4.191 -17.105 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.006 -3.911 -17.792 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.706 -6.349 -20.341 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.571 -4.903 -19.808 1.00 25.00 H new ATOM 369 N GLN B 4 -2.136 -2.474 -18.119 1.00 25.00 N ATOM 370 CA GLN B 4 -0.715 -2.711 -18.211 1.00 25.00 C ATOM 371 C GLN B 4 -0.156 -2.513 -16.811 1.00 25.00 C ATOM 372 O GLN B 4 -0.681 -1.721 -16.022 1.00 25.00 O ATOM 373 CB GLN B 4 -0.053 -1.757 -19.224 1.00 25.00 C ATOM 374 CG GLN B 4 -0.500 -0.301 -19.131 1.00 25.00 C ATOM 375 CD GLN B 4 0.013 0.531 -20.285 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.204 0.788 -20.411 1.00 25.00 O ATOM 377 NE2 GLN B 4 -0.886 0.957 -21.133 1.00 25.00 N ATOM 0 H GLN B 4 -2.415 -1.939 -17.297 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.509 -3.719 -18.572 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.027 -1.798 -19.086 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.260 -2.121 -20.231 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -1.589 -0.258 -19.111 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -0.147 0.126 -18.193 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.869 0.722 -20.995 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -0.604 1.524 -21.933 1.00 25.00 H new ATOM 386 N HIS B 5 0.920 -3.214 -16.511 1.00 25.00 N ATOM 387 CA HIS B 5 1.718 -2.914 -15.318 1.00 25.00 C ATOM 388 C HIS B 5 2.405 -1.579 -15.612 1.00 25.00 C ATOM 389 O HIS B 5 2.787 -1.331 -16.755 1.00 25.00 O ATOM 390 CB HIS B 5 2.766 -4.003 -15.071 1.00 25.00 C ATOM 391 CG HIS B 5 2.183 -5.375 -14.940 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.151 -5.684 -14.073 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.473 -6.549 -15.552 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.864 -6.976 -14.180 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.650 -7.512 -15.065 1.00 25.00 N ATOM 0 H HIS B 5 1.268 -3.994 -17.069 1.00 25.00 H new ATOM 0 HA HIS B 5 1.095 -2.868 -14.425 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.483 -3.999 -15.892 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.319 -3.764 -14.163 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.234 -6.694 -16.304 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.101 -7.497 -13.622 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.649 -8.492 -15.347 1.00 25.00 H new ATOM 404 N LEU B 6 2.535 -0.714 -14.617 1.00 25.00 N ATOM 405 CA LEU B 6 3.113 0.618 -14.821 1.00 25.00 C ATOM 406 C LEU B 6 4.086 0.973 -13.711 1.00 25.00 C ATOM 407 O LEU B 6 3.716 1.062 -12.548 1.00 25.00 O ATOM 408 CB LEU B 6 2.008 1.674 -14.864 1.00 25.00 C ATOM 409 CG LEU B 6 1.114 1.694 -16.111 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.031 2.663 -15.910 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.914 2.107 -17.347 1.00 25.00 C ATOM 0 H LEU B 6 2.249 -0.905 -13.657 1.00 25.00 H new ATOM 0 HA LEU B 6 3.649 0.600 -15.770 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.370 1.533 -13.992 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.472 2.655 -14.764 1.00 25.00 H new ATOM 0 HG LEU B 6 0.723 0.688 -16.265 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.661 2.671 -16.800 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.623 2.353 -15.049 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.365 3.664 -15.737 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.259 2.114 -18.219 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.328 3.104 -17.196 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.726 1.398 -17.509 1.00 25.00 H new ATOM 423 N CYS B 7 5.336 1.192 -14.084 1.00 25.00 N ATOM 424 CA CYS B 7 6.378 1.514 -13.122 1.00 25.00 C ATOM 425 C CYS B 7 7.327 2.527 -13.752 1.00 25.00 C ATOM 426 O CYS B 7 7.373 2.649 -14.980 1.00 25.00 O ATOM 427 CB CYS B 7 7.128 0.232 -12.751 1.00 25.00 C ATOM 428 SG CYS B 7 7.810 0.233 -11.065 1.00 25.00 S ATOM 0 H CYS B 7 5.655 1.152 -15.052 1.00 25.00 H new ATOM 0 HA CYS B 7 5.948 1.943 -12.217 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.451 -0.616 -12.857 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.942 0.081 -13.461 1.00 25.00 H new ATOM 433 N GLY B 8 8.069 3.257 -12.931 1.00 25.00 N ATOM 434 CA GLY B 8 9.013 4.236 -13.450 1.00 25.00 C ATOM 435 C GLY B 8 8.337 5.316 -14.272 1.00 25.00 C ATOM 436 O GLY B 8 7.200 5.700 -14.007 1.00 25.00 O ATOM 0 H GLY B 8 8.037 3.191 -11.914 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.547 4.697 -12.619 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.757 3.729 -14.064 1.00 25.00 H new ATOM 440 N SER B 9 9.017 5.774 -15.312 1.00 25.00 N ATOM 441 CA SER B 9 8.491 6.807 -16.203 1.00 25.00 C ATOM 442 C SER B 9 7.184 6.407 -16.889 1.00 25.00 C ATOM 443 O SER B 9 6.369 7.261 -17.210 1.00 25.00 O ATOM 444 CB SER B 9 9.543 7.105 -17.263 1.00 25.00 C ATOM 445 OG SER B 9 10.726 6.371 -16.968 1.00 25.00 O ATOM 0 H SER B 9 9.948 5.443 -15.565 1.00 25.00 H new ATOM 0 HA SER B 9 8.269 7.684 -15.595 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.169 6.833 -18.250 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.760 8.173 -17.287 1.00 25.00 H new ATOM 0 HG SER B 9 11.406 6.558 -17.649 1.00 25.00 H new ATOM 451 N HIS B 10 6.962 5.113 -17.091 1.00 25.00 N ATOM 452 CA HIS B 10 5.715 4.653 -17.715 1.00 25.00 C ATOM 453 C HIS B 10 4.517 5.021 -16.847 1.00 25.00 C ATOM 454 O HIS B 10 3.465 5.381 -17.362 1.00 25.00 O ATOM 455 CB HIS B 10 5.741 3.137 -17.933 1.00 25.00 C ATOM 456 CG HIS B 10 6.071 2.738 -19.336 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.106 2.458 -20.311 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.262 2.546 -19.966 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.724 2.126 -21.440 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.018 2.174 -21.252 1.00 25.00 N ATOM 0 H HIS B 10 7.614 4.370 -16.839 1.00 25.00 H new ATOM 0 HA HIS B 10 5.624 5.147 -18.682 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.472 2.694 -17.257 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.768 2.724 -17.666 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.238 2.668 -19.520 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.236 1.859 -22.366 1.00 25.00 H new ATOM 0 HE2 HIS B 10 7.728 1.967 -21.955 1.00 25.00 H new ATOM 469 N LEU B 11 4.688 4.946 -15.536 1.00 25.00 N ATOM 470 CA LEU B 11 3.616 5.290 -14.602 1.00 25.00 C ATOM 471 C LEU B 11 3.319 6.781 -14.698 1.00 25.00 C ATOM 472 O LEU B 11 2.168 7.187 -14.772 1.00 25.00 O ATOM 473 CB LEU B 11 4.040 4.913 -13.173 1.00 25.00 C ATOM 474 CG LEU B 11 3.042 5.142 -12.026 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.769 4.341 -12.209 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.707 4.740 -10.712 1.00 25.00 C ATOM 0 H LEU B 11 5.557 4.651 -15.091 1.00 25.00 H new ATOM 0 HA LEU B 11 2.712 4.736 -14.855 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.306 3.856 -13.174 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.947 5.470 -12.939 1.00 25.00 H new ATOM 0 HG LEU B 11 2.768 6.197 -12.019 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.094 4.535 -11.375 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.286 4.633 -13.142 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.009 3.278 -12.242 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.010 4.897 -9.889 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.988 3.688 -10.754 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.598 5.348 -10.554 1.00 25.00 H new ATOM 488 N VAL B 12 4.368 7.582 -14.744 1.00 25.00 N ATOM 489 CA VAL B 12 4.240 9.038 -14.825 1.00 25.00 C ATOM 490 C VAL B 12 3.552 9.464 -16.126 1.00 25.00 C ATOM 491 O VAL B 12 2.673 10.316 -16.125 1.00 25.00 O ATOM 492 CB VAL B 12 5.648 9.701 -14.727 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.553 11.220 -14.790 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.340 9.279 -13.415 1.00 25.00 C ATOM 0 H VAL B 12 5.332 7.250 -14.727 1.00 25.00 H new ATOM 0 HA VAL B 12 3.622 9.371 -13.991 1.00 25.00 H new ATOM 0 HB VAL B 12 6.237 9.361 -15.579 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.552 11.650 -14.719 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.096 11.517 -15.734 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.943 11.581 -13.962 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.323 9.747 -13.355 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.735 9.596 -12.566 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.452 8.195 -13.395 1.00 25.00 H new ATOM 504 N GLU B 13 3.919 8.840 -17.236 1.00 25.00 N ATOM 505 CA GLU B 13 3.317 9.170 -18.528 1.00 25.00 C ATOM 506 C GLU B 13 1.833 8.823 -18.560 1.00 25.00 C ATOM 507 O GLU B 13 1.041 9.505 -19.200 1.00 25.00 O ATOM 508 CB GLU B 13 4.044 8.429 -19.653 1.00 25.00 C ATOM 509 CG GLU B 13 5.410 9.025 -19.980 1.00 25.00 C ATOM 510 CD GLU B 13 5.310 10.435 -20.488 1.00 25.00 C ATOM 511 OE1 GLU B 13 4.689 10.750 -21.454 1.00 25.00 O ATOM 512 OE2 GLU B 13 5.949 11.288 -19.769 1.00 25.00 O ATOM 0 H GLU B 13 4.626 8.106 -17.273 1.00 25.00 H new ATOM 0 HA GLU B 13 3.417 10.246 -18.674 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.169 7.384 -19.370 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.424 8.444 -20.549 1.00 25.00 H new ATOM 0 HG2 GLU B 13 6.035 9.006 -19.087 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.904 8.406 -20.728 1.00 25.00 H new ATOM 520 N ALA B 14 1.449 7.774 -17.852 1.00 25.00 N ATOM 521 CA ALA B 14 0.057 7.363 -17.818 1.00 25.00 C ATOM 522 C ALA B 14 -0.760 8.358 -16.995 1.00 25.00 C ATOM 523 O ALA B 14 -1.918 8.620 -17.297 1.00 25.00 O ATOM 524 CB ALA B 14 -0.049 5.976 -17.229 1.00 25.00 C ATOM 0 H ALA B 14 2.078 7.195 -17.296 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.340 7.345 -18.833 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.095 5.670 -17.205 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.520 5.276 -17.841 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.352 5.980 -16.215 1.00 25.00 H new ATOM 530 N LEU B 15 -0.147 8.918 -15.966 1.00 25.00 N ATOM 531 CA LEU B 15 -0.827 9.880 -15.105 1.00 25.00 C ATOM 532 C LEU B 15 -1.179 11.157 -15.848 1.00 25.00 C ATOM 533 O LEU B 15 -2.229 11.741 -15.597 1.00 25.00 O ATOM 534 CB LEU B 15 0.034 10.206 -13.884 1.00 25.00 C ATOM 535 CG LEU B 15 0.128 9.090 -12.837 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.171 9.405 -11.772 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.218 8.893 -12.196 1.00 25.00 C ATOM 0 H LEU B 15 0.820 8.725 -15.704 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.759 9.419 -14.777 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.041 10.450 -14.223 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.366 11.100 -13.405 1.00 25.00 H new ATOM 0 HG LEU B 15 0.438 8.174 -13.341 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.209 8.591 -11.048 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.148 9.518 -12.242 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.903 10.331 -11.263 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.154 8.100 -11.451 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.530 9.819 -11.714 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.947 8.617 -12.958 1.00 25.00 H new ATOM 549 N TYR B 16 -0.363 11.549 -16.818 1.00 25.00 N ATOM 550 CA TYR B 16 -0.681 12.725 -17.632 1.00 25.00 C ATOM 551 C TYR B 16 -1.978 12.509 -18.398 1.00 25.00 C ATOM 552 O TYR B 16 -2.748 13.435 -18.584 1.00 25.00 O ATOM 553 CB TYR B 16 0.438 13.035 -18.633 1.00 25.00 C ATOM 554 CG TYR B 16 1.611 13.770 -18.023 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.505 15.136 -17.686 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.837 13.118 -17.792 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.602 15.833 -17.114 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.942 13.816 -17.232 1.00 25.00 C ATOM 559 CZ TYR B 16 3.807 15.166 -16.892 1.00 25.00 C ATOM 560 OH TYR B 16 4.865 15.843 -16.340 1.00 25.00 O ATOM 0 H TYR B 16 0.511 11.082 -17.061 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.788 13.568 -16.950 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.792 12.101 -19.069 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.030 13.633 -19.448 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.577 15.659 -17.866 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.940 12.073 -18.044 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.504 16.876 -16.852 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.880 13.307 -17.070 1.00 25.00 H new ATOM 0 HH TYR B 16 5.630 15.237 -16.250 1.00 25.00 H new ATOM 570 N LEU B 17 -2.231 11.286 -18.832 1.00 25.00 N ATOM 571 CA LEU B 17 -3.461 10.991 -19.561 1.00 25.00 C ATOM 572 C LEU B 17 -4.690 11.012 -18.659 1.00 25.00 C ATOM 573 O LEU B 17 -5.748 11.492 -19.044 1.00 25.00 O ATOM 574 CB LEU B 17 -3.383 9.612 -20.207 1.00 25.00 C ATOM 575 CG LEU B 17 -2.237 9.360 -21.202 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.217 7.875 -21.575 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.380 10.214 -22.460 1.00 25.00 C ATOM 0 H LEU B 17 -1.612 10.487 -18.696 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.560 11.770 -20.316 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.307 8.871 -19.411 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.325 9.429 -20.724 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.299 9.641 -20.724 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.407 7.688 -22.280 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.062 7.276 -20.677 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.168 7.602 -22.033 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.551 10.006 -23.137 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.321 9.977 -22.956 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.370 11.269 -22.187 1.00 25.00 H new ATOM 589 N VAL B 18 -4.561 10.426 -17.477 1.00 25.00 N ATOM 590 CA VAL B 18 -5.702 10.262 -16.570 1.00 25.00 C ATOM 591 C VAL B 18 -6.062 11.582 -15.898 1.00 25.00 C ATOM 592 O VAL B 18 -7.237 11.931 -15.762 1.00 25.00 O ATOM 593 CB VAL B 18 -5.386 9.171 -15.503 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.544 8.995 -14.508 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.113 7.839 -16.209 1.00 25.00 C ATOM 0 H VAL B 18 -3.681 10.055 -17.119 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.563 9.941 -17.156 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.508 9.491 -14.941 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.285 8.226 -13.780 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.726 9.937 -13.991 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.444 8.697 -15.046 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.891 7.072 -15.467 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.992 7.545 -16.783 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.262 7.951 -16.880 1.00 25.00 H new ATOM 605 N CYS B 19 -5.054 12.336 -15.498 1.00 25.00 N ATOM 606 CA CYS B 19 -5.292 13.623 -14.869 1.00 25.00 C ATOM 607 C CYS B 19 -5.511 14.709 -15.915 1.00 25.00 C ATOM 608 O CYS B 19 -6.124 15.741 -15.625 1.00 25.00 O ATOM 609 CB CYS B 19 -4.116 13.987 -13.970 1.00 25.00 C ATOM 610 SG CYS B 19 -3.971 12.850 -12.556 1.00 25.00 S ATOM 0 H CYS B 19 -4.071 12.083 -15.596 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.196 13.548 -14.264 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.194 13.965 -14.551 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.239 15.007 -13.606 1.00 25.00 H new ATOM 615 N GLY B 20 -5.032 14.492 -17.131 1.00 25.00 N ATOM 616 CA GLY B 20 -5.142 15.521 -18.148 1.00 25.00 C ATOM 617 C GLY B 20 -4.333 16.738 -17.738 1.00 25.00 C ATOM 618 O GLY B 20 -3.362 16.638 -16.986 1.00 25.00 O ATOM 0 H GLY B 20 -4.573 13.632 -17.431 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.783 15.140 -19.104 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.187 15.798 -18.287 1.00 25.00 H new ATOM 622 N GLU B 21 -4.775 17.905 -18.180 1.00 25.00 N ATOM 623 CA GLU B 21 -4.106 19.172 -17.856 1.00 25.00 C ATOM 624 C GLU B 21 -4.173 19.566 -16.368 1.00 25.00 C ATOM 625 O GLU B 21 -3.566 20.546 -15.967 1.00 25.00 O ATOM 626 CB GLU B 21 -4.709 20.299 -18.707 1.00 25.00 C ATOM 627 CG GLU B 21 -6.163 20.646 -18.362 1.00 25.00 C ATOM 628 CD GLU B 21 -6.738 21.688 -19.279 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.067 22.777 -18.927 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.858 21.290 -20.496 1.00 25.00 O ATOM 0 H GLU B 21 -5.601 18.009 -18.770 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.050 19.021 -18.082 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -4.097 21.193 -18.589 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.656 20.013 -19.757 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -6.771 19.743 -18.416 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.214 21.004 -17.334 1.00 25.00 H new ATOM 638 N ARG B 22 -4.921 18.818 -15.561 1.00 25.00 N ATOM 639 CA ARG B 22 -5.066 19.137 -14.131 1.00 25.00 C ATOM 640 C ARG B 22 -3.789 18.831 -13.354 1.00 25.00 C ATOM 641 O ARG B 22 -3.560 19.387 -12.287 1.00 25.00 O ATOM 642 CB ARG B 22 -6.225 18.342 -13.523 1.00 25.00 C ATOM 643 CG ARG B 22 -7.584 18.675 -14.143 1.00 25.00 C ATOM 644 CD ARG B 22 -8.679 17.745 -13.634 1.00 25.00 C ATOM 645 NE ARG B 22 -8.494 16.371 -14.135 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.312 15.352 -13.914 1.00 25.00 C ATOM 647 NH1 ARG B 22 -10.399 15.474 -13.190 1.00 25.00 N ATOM 648 NH2 ARG B 22 -9.035 14.187 -14.427 1.00 25.00 N ATOM 0 H ARG B 22 -5.436 17.991 -15.864 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.270 20.205 -14.057 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.029 17.277 -13.647 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.266 18.536 -12.451 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.847 19.707 -13.911 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.517 18.599 -15.228 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.676 17.740 -12.544 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.653 18.121 -13.949 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.665 16.189 -14.701 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.638 16.375 -12.776 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -11.006 14.668 -13.041 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.195 14.066 -14.993 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.658 13.396 -14.263 1.00 25.00 H new ATOM 662 N GLY B 23 -2.960 17.956 -13.903 1.00 25.00 N ATOM 663 CA GLY B 23 -1.698 17.619 -13.265 1.00 25.00 C ATOM 664 C GLY B 23 -1.820 16.631 -12.118 1.00 25.00 C ATOM 665 O GLY B 23 -2.910 16.198 -11.746 1.00 25.00 O ATOM 0 H GLY B 23 -3.137 17.470 -14.782 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.025 17.205 -14.015 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.237 18.534 -12.893 1.00 25.00 H new ATOM 669 N PHE B 24 -0.671 16.253 -11.581 1.00 25.00 N ATOM 670 CA PHE B 24 -0.564 15.267 -10.512 1.00 25.00 C ATOM 671 C PHE B 24 0.807 15.498 -9.905 1.00 25.00 C ATOM 672 O PHE B 24 1.549 16.351 -10.390 1.00 25.00 O ATOM 673 CB PHE B 24 -0.659 13.845 -11.074 1.00 25.00 C ATOM 674 CG PHE B 24 0.381 13.539 -12.105 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.158 13.851 -13.455 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.595 12.940 -11.734 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.141 13.582 -14.425 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.583 12.660 -12.693 1.00 25.00 C ATOM 679 CZ PHE B 24 2.357 12.986 -14.047 1.00 25.00 C ATOM 0 H PHE B 24 0.230 16.628 -11.879 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.366 15.371 -9.781 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.567 13.132 -10.254 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.647 13.701 -11.512 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.777 14.302 -13.752 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.772 12.691 -10.698 1.00 25.00 H new ATOM 0 HE1 PHE B 24 0.961 13.833 -15.460 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.512 12.197 -12.395 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.114 12.779 -14.789 1.00 25.00 H new ATOM 689 N PHE B 25 1.161 14.724 -8.893 1.00 25.00 N ATOM 690 CA PHE B 25 2.479 14.817 -8.278 1.00 25.00 C ATOM 691 C PHE B 25 3.076 13.416 -8.263 1.00 25.00 C ATOM 692 O PHE B 25 2.351 12.428 -8.353 1.00 25.00 O ATOM 693 CB PHE B 25 2.367 15.378 -6.856 1.00 25.00 C ATOM 694 CG PHE B 25 1.521 14.535 -5.939 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.132 14.757 -5.838 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.105 13.507 -5.173 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.670 13.953 -4.991 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.315 12.698 -4.323 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.076 12.918 -4.237 1.00 25.00 C ATOM 0 H PHE B 25 0.552 14.020 -8.476 1.00 25.00 H new ATOM 0 HA PHE B 25 3.120 15.494 -8.843 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.367 15.470 -6.431 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.947 16.383 -6.903 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.325 15.549 -6.413 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.169 13.334 -5.235 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.733 14.131 -4.922 1.00 25.00 H new ATOM 0 HE2 PHE B 25 1.776 11.913 -3.741 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.684 12.297 -3.596 1.00 25.00 H new ATOM 709 N TYR B 26 4.391 13.324 -8.159 1.00 25.00 N ATOM 710 CA TYR B 26 5.058 12.031 -8.123 1.00 25.00 C ATOM 711 C TYR B 26 6.283 12.139 -7.234 1.00 25.00 C ATOM 712 O TYR B 26 6.957 13.161 -7.230 1.00 25.00 O ATOM 713 CB TYR B 26 5.463 11.594 -9.532 1.00 25.00 C ATOM 714 CG TYR B 26 6.024 10.191 -9.564 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.177 9.078 -9.386 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.403 9.963 -9.750 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.696 7.760 -9.390 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.925 8.638 -9.767 1.00 25.00 C ATOM 719 CZ TYR B 26 7.066 7.554 -9.585 1.00 25.00 C ATOM 720 OH TYR B 26 7.563 6.275 -9.592 1.00 25.00 O ATOM 0 H TYR B 26 5.018 14.126 -8.098 1.00 25.00 H new ATOM 0 HA TYR B 26 4.375 11.281 -7.723 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.596 11.650 -10.190 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.206 12.288 -9.925 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.118 9.233 -9.245 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.070 10.802 -9.881 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.037 6.917 -9.243 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.981 8.473 -9.920 1.00 25.00 H new ATOM 0 HH TYR B 26 8.531 6.301 -9.740 1.00 25.00 H new ATOM 730 N THR B 27 6.552 11.089 -6.472 1.00 25.00 N ATOM 731 CA THR B 27 7.676 11.072 -5.534 1.00 25.00 C ATOM 732 C THR B 27 8.612 9.892 -5.872 1.00 25.00 C ATOM 733 O THR B 27 8.331 8.722 -5.557 1.00 25.00 O ATOM 734 CB THR B 27 7.179 11.008 -4.071 1.00 25.00 C ATOM 735 OG1 THR B 27 8.192 10.450 -3.231 1.00 25.00 O ATOM 736 CG2 THR B 27 5.924 10.171 -3.962 1.00 25.00 C ATOM 0 H THR B 27 6.005 10.228 -6.482 1.00 25.00 H new ATOM 0 HA THR B 27 8.240 11.999 -5.635 1.00 25.00 H new ATOM 0 HB THR B 27 6.953 12.024 -3.749 1.00 25.00 H new ATOM 0 HG1 THR B 27 7.868 10.415 -2.307 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.595 10.142 -2.923 1.00 25.00 H new ATOM 0 HG22 THR B 27 5.140 10.609 -4.579 1.00 25.00 H new ATOM 0 HG23 THR B 27 6.132 9.158 -4.305 1.00 25.00 H new ATOM 744 N PRO B 28 9.698 10.169 -6.610 1.00 25.00 N ATOM 745 CA PRO B 28 10.638 9.117 -6.998 1.00 25.00 C ATOM 746 C PRO B 28 11.592 8.766 -5.859 1.00 25.00 C ATOM 747 O PRO B 28 11.839 9.572 -4.968 1.00 25.00 O ATOM 748 CB PRO B 28 11.383 9.747 -8.177 1.00 25.00 C ATOM 749 CG PRO B 28 11.397 11.198 -7.868 1.00 25.00 C ATOM 750 CD PRO B 28 10.098 11.483 -7.145 1.00 25.00 C ATOM 0 HA PRO B 28 10.148 8.176 -7.250 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.394 9.350 -8.267 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.876 9.546 -9.121 1.00 25.00 H new ATOM 0 HG2 PRO B 28 12.254 11.456 -7.246 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.474 11.790 -8.780 1.00 25.00 H new ATOM 0 HD2 PRO B 28 10.236 12.214 -6.348 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.344 11.886 -7.821 1.00 25.00 H new ATOM 758 N LYS B 29 12.142 7.562 -5.893 1.00 25.00 N ATOM 759 CA LYS B 29 13.100 7.134 -4.875 1.00 25.00 C ATOM 760 C LYS B 29 14.503 7.368 -5.396 1.00 25.00 C ATOM 761 O LYS B 29 15.018 6.608 -6.205 1.00 25.00 O ATOM 762 CB LYS B 29 12.895 5.661 -4.523 1.00 25.00 C ATOM 763 CG LYS B 29 11.631 5.440 -3.715 1.00 25.00 C ATOM 764 CD LYS B 29 11.433 3.977 -3.360 1.00 25.00 C ATOM 765 CE LYS B 29 10.299 3.819 -2.349 1.00 25.00 C ATOM 766 NZ LYS B 29 9.011 4.410 -2.860 1.00 25.00 N ATOM 0 H LYS B 29 11.945 6.864 -6.610 1.00 25.00 H new ATOM 0 HA LYS B 29 12.946 7.714 -3.965 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.847 5.073 -5.439 1.00 25.00 H new ATOM 0 HB3 LYS B 29 13.754 5.300 -3.958 1.00 25.00 H new ATOM 0 HG2 LYS B 29 11.677 6.032 -2.801 1.00 25.00 H new ATOM 0 HG3 LYS B 29 10.771 5.795 -4.282 1.00 25.00 H new ATOM 0 HD2 LYS B 29 11.207 3.406 -4.260 1.00 25.00 H new ATOM 0 HD3 LYS B 29 12.356 3.569 -2.947 1.00 25.00 H new ATOM 0 HE2 LYS B 29 10.152 2.762 -2.129 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.576 4.304 -1.413 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 8.236 4.167 -2.211 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 9.102 5.444 -2.918 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 8.804 4.028 -3.805 1.00 25.00 H new ATOM 780 N THR B 30 15.091 8.461 -4.942 1.00 25.00 N ATOM 781 CA THR B 30 16.441 8.860 -5.324 1.00 25.00 C ATOM 782 C THR B 30 17.506 8.156 -4.489 1.00 25.00 C ATOM 783 O THR B 30 17.314 7.620 -3.420 1.00 25.00 O ATOM 784 CB THR B 30 16.561 10.386 -5.184 1.00 25.00 C ATOM 785 OG1 THR B 30 16.013 10.753 -3.924 1.00 25.00 O ATOM 786 CG2 THR B 30 15.728 11.103 -6.263 1.00 25.00 C ATOM 787 OXT THR B 30 18.674 8.149 -5.041 1.00 25.00 O ATOM 0 H THR B 30 14.643 9.106 -4.291 1.00 25.00 H new ATOM 0 HA THR B 30 16.613 8.564 -6.359 1.00 25.00 H new ATOM 0 HB THR B 30 17.610 10.667 -5.282 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.079 11.724 -3.809 1.00 25.00 H new ATOM 0 HG21 THR B 30 15.829 12.182 -6.143 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.085 10.813 -7.251 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.680 10.823 -6.159 1.00 25.00 H new TER 796 THR B 30