USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 469 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 Single : A 1 THR N :NH3+ 153:sc= 0.338 (180deg=0.135) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 30:sc= -3.64! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0.034) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc=-0.00605 (180deg=-0.00605) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -132:sc= 0.195 USER MOD Single : A 44 THR OG1 : rot 10:sc= 0.167 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -0.214 (180deg=-0.222) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00269 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.245 -14.905 2.465 1.00 0.00 N ATOM 2 CA THR A 1 3.274 -14.865 0.979 1.00 0.00 C ATOM 3 C THR A 1 3.824 -13.532 0.477 1.00 0.00 C ATOM 4 O THR A 1 3.695 -12.507 1.144 1.00 0.00 O ATOM 5 CB THR A 1 1.853 -15.081 0.457 1.00 0.00 C ATOM 6 OG1 THR A 1 1.071 -15.790 1.402 1.00 0.00 O ATOM 7 CG2 THR A 1 1.802 -15.847 -0.846 1.00 0.00 C ATOM 0 H1 THR A 1 2.496 -15.554 2.780 1.00 0.00 H new ATOM 0 H2 THR A 1 4.164 -15.238 2.821 1.00 0.00 H new ATOM 0 H3 THR A 1 3.055 -13.951 2.834 1.00 0.00 H new ATOM 0 HA THR A 1 3.932 -15.653 0.611 1.00 0.00 H new ATOM 0 HB THR A 1 1.456 -14.080 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 1 0.166 -15.916 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.764 -15.964 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.352 -15.300 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.253 -16.830 -0.708 1.00 0.00 H new ATOM 17 N THR A 2 4.441 -13.562 -0.701 1.00 0.00 N ATOM 18 CA THR A 2 5.013 -12.358 -1.292 1.00 0.00 C ATOM 19 C THR A 2 3.914 -11.424 -1.800 1.00 0.00 C ATOM 20 O THR A 2 3.119 -11.793 -2.662 1.00 0.00 O ATOM 21 CB THR A 2 5.957 -12.723 -2.437 1.00 0.00 C ATOM 22 OG1 THR A 2 6.635 -11.576 -2.916 1.00 0.00 O ATOM 23 CG2 THR A 2 5.253 -13.366 -3.614 1.00 0.00 C ATOM 0 H THR A 2 4.557 -14.405 -1.263 1.00 0.00 H new ATOM 0 HA THR A 2 5.578 -11.838 -0.518 1.00 0.00 H new ATOM 0 HB THR A 2 6.655 -13.445 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.235 -11.832 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.981 -13.599 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.763 -14.284 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.507 -12.678 -4.012 1.00 0.00 H new ATOM 31 N TYR A 3 3.879 -10.216 -1.257 1.00 0.00 N ATOM 32 CA TYR A 3 2.880 -9.230 -1.654 1.00 0.00 C ATOM 33 C TYR A 3 3.490 -8.172 -2.568 1.00 0.00 C ATOM 34 O TYR A 3 4.694 -7.911 -2.512 1.00 0.00 O ATOM 35 CB TYR A 3 2.284 -8.546 -0.424 1.00 0.00 C ATOM 36 CG TYR A 3 1.246 -9.359 0.307 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.336 -10.743 0.391 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.170 -8.732 0.915 1.00 0.00 C ATOM 39 CE1 TYR A 3 0.378 -11.478 1.062 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.793 -9.458 1.586 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.685 -10.832 1.657 1.00 0.00 C ATOM 42 OH TYR A 3 -1.643 -11.561 2.324 1.00 0.00 O ATOM 0 H TYR A 3 4.530 -9.893 -0.541 1.00 0.00 H new ATOM 0 HA TYR A 3 2.094 -9.757 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.091 -8.305 0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.836 -7.601 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.167 -11.252 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.084 -7.657 0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.461 -12.553 1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.626 -8.954 2.053 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.237 -12.371 2.697 1.00 0.00 H new ATOM 52 N LYS A 4 2.650 -7.557 -3.399 1.00 0.00 N ATOM 53 CA LYS A 4 3.105 -6.520 -4.321 1.00 0.00 C ATOM 54 C LYS A 4 2.207 -5.286 -4.251 1.00 0.00 C ATOM 55 O LYS A 4 0.981 -5.398 -4.234 1.00 0.00 O ATOM 56 CB LYS A 4 3.139 -7.061 -5.752 1.00 0.00 C ATOM 57 CG LYS A 4 4.476 -7.671 -6.139 1.00 0.00 C ATOM 58 CD LYS A 4 4.545 -9.143 -5.766 1.00 0.00 C ATOM 59 CE LYS A 4 5.894 -9.743 -6.124 1.00 0.00 C ATOM 60 NZ LYS A 4 5.945 -10.183 -7.545 1.00 0.00 N ATOM 0 H LYS A 4 1.652 -7.759 -3.452 1.00 0.00 H new ATOM 0 HA LYS A 4 4.112 -6.226 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.359 -7.814 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.904 -6.252 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.631 -7.559 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.281 -7.130 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.366 -9.258 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.754 -9.688 -6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.678 -9.008 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.098 -10.593 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.881 -10.587 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.213 -10.903 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.776 -9.367 -8.167 1.00 0.00 H new ATOM 74 N LEU A 5 2.828 -4.110 -4.211 1.00 0.00 N ATOM 75 CA LEU A 5 2.088 -2.851 -4.141 1.00 0.00 C ATOM 76 C LEU A 5 2.385 -1.958 -5.325 1.00 0.00 C ATOM 77 O LEU A 5 3.524 -1.866 -5.785 1.00 0.00 O ATOM 78 CB LEU A 5 2.441 -2.047 -2.889 1.00 0.00 C ATOM 79 CG LEU A 5 1.520 -0.848 -2.620 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.057 -1.255 -2.690 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.835 -0.211 -1.275 1.00 0.00 C ATOM 0 H LEU A 5 3.842 -4.002 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 5 1.037 -3.138 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.412 -2.712 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.466 -1.688 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 5 1.703 -0.108 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.572 -0.386 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.164 -1.648 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.143 -2.023 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.169 0.636 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.693 -0.946 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.869 0.134 -1.269 1.00 0.00 H new ATOM 93 N ILE A 6 1.363 -1.252 -5.771 1.00 0.00 N ATOM 94 CA ILE A 6 1.517 -0.306 -6.849 1.00 0.00 C ATOM 95 C ILE A 6 0.733 0.957 -6.521 1.00 0.00 C ATOM 96 O ILE A 6 -0.489 0.918 -6.377 1.00 0.00 O ATOM 97 CB ILE A 6 1.042 -0.880 -8.199 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.607 -2.286 -8.409 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.453 0.040 -9.339 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.119 -2.326 -8.473 1.00 0.00 C ATOM 0 H ILE A 6 0.416 -1.320 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 6 2.579 -0.079 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.046 -0.946 -8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.268 -2.930 -7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.201 -2.698 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.111 -0.378 -10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.004 1.023 -9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.539 0.136 -9.356 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.450 -3.354 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.465 -1.709 -9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.533 -1.944 -7.540 1.00 0.00 H new ATOM 112 N LEU A 7 1.439 2.070 -6.373 1.00 0.00 N ATOM 113 CA LEU A 7 0.797 3.332 -6.026 1.00 0.00 C ATOM 114 C LEU A 7 0.636 4.236 -7.240 1.00 0.00 C ATOM 115 O LEU A 7 1.557 4.394 -8.042 1.00 0.00 O ATOM 116 CB LEU A 7 1.597 4.054 -4.938 1.00 0.00 C ATOM 117 CG LEU A 7 1.990 3.187 -3.741 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.134 2.252 -4.107 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.372 4.062 -2.555 1.00 0.00 C ATOM 0 H LEU A 7 2.451 2.126 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.199 3.100 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.504 4.462 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.011 4.900 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 7 1.130 2.579 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.398 1.644 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.825 1.602 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.999 2.839 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.649 3.430 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.217 4.695 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.524 4.688 -2.277 1.00 0.00 H new ATOM 131 N ASN A 8 -0.546 4.830 -7.360 1.00 0.00 N ATOM 132 CA ASN A 8 -0.843 5.729 -8.470 1.00 0.00 C ATOM 133 C ASN A 8 -1.481 7.020 -7.962 1.00 0.00 C ATOM 134 O ASN A 8 -2.651 7.036 -7.576 1.00 0.00 O ATOM 135 CB ASN A 8 -1.772 5.043 -9.475 1.00 0.00 C ATOM 136 CG ASN A 8 -1.064 4.694 -10.769 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.028 4.029 -10.764 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.621 5.142 -11.889 1.00 0.00 N ATOM 0 H ASN A 8 -1.315 4.705 -6.702 1.00 0.00 H new ATOM 0 HA ASN A 8 0.094 5.979 -8.969 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.178 4.135 -9.030 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.617 5.697 -9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.189 4.938 -12.790 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.480 5.690 -11.847 1.00 0.00 H new ATOM 145 N LEU A 9 -0.704 8.100 -7.962 1.00 0.00 N ATOM 146 CA LEU A 9 -1.195 9.394 -7.497 1.00 0.00 C ATOM 147 C LEU A 9 -1.275 10.399 -8.647 1.00 0.00 C ATOM 148 O LEU A 9 -2.032 11.368 -8.582 1.00 0.00 O ATOM 149 CB LEU A 9 -0.291 9.939 -6.374 1.00 0.00 C ATOM 150 CG LEU A 9 0.964 10.681 -6.844 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.674 11.325 -5.665 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.901 9.732 -7.577 1.00 0.00 C ATOM 0 H LEU A 9 0.266 8.105 -8.278 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.201 9.250 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.880 10.613 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.015 9.106 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 9 0.661 11.468 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.563 11.848 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.004 12.035 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.965 10.555 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.787 10.276 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.197 8.924 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.391 9.315 -8.445 1.00 0.00 H new ATOM 164 N LYS A 10 -0.494 10.166 -9.697 1.00 0.00 N ATOM 165 CA LYS A 10 -0.491 11.053 -10.846 1.00 0.00 C ATOM 166 C LYS A 10 0.009 10.327 -12.095 1.00 0.00 C ATOM 167 O LYS A 10 -0.782 9.907 -12.939 1.00 0.00 O ATOM 168 CB LYS A 10 0.387 12.279 -10.569 1.00 0.00 C ATOM 169 CG LYS A 10 -0.398 13.494 -10.100 1.00 0.00 C ATOM 170 CD LYS A 10 0.362 14.783 -10.368 1.00 0.00 C ATOM 171 CE LYS A 10 -0.569 15.904 -10.809 1.00 0.00 C ATOM 172 NZ LYS A 10 -0.739 16.931 -9.747 1.00 0.00 N ATOM 0 H LYS A 10 0.142 9.372 -9.772 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.516 11.380 -11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.129 12.021 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.933 12.537 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.361 13.525 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.604 13.406 -9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.895 15.086 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.113 14.609 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.171 16.374 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.542 15.487 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.380 17.677 -10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.142 16.488 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.186 17.347 -9.515 1.00 0.00 H new ATOM 186 N GLN A 11 1.330 10.182 -12.207 1.00 0.00 N ATOM 187 CA GLN A 11 1.930 9.504 -13.346 1.00 0.00 C ATOM 188 C GLN A 11 2.928 8.447 -12.887 1.00 0.00 C ATOM 189 O GLN A 11 2.757 7.258 -13.156 1.00 0.00 O ATOM 190 CB GLN A 11 2.627 10.517 -14.259 1.00 0.00 C ATOM 191 CG GLN A 11 2.589 10.136 -15.729 1.00 0.00 C ATOM 192 CD GLN A 11 1.315 10.588 -16.416 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.592 11.444 -15.910 1.00 0.00 O ATOM 194 NE2 GLN A 11 1.040 10.017 -17.585 1.00 0.00 N ATOM 0 H GLN A 11 2.001 10.527 -11.520 1.00 0.00 H new ATOM 0 HA GLN A 11 1.134 9.009 -13.903 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.156 11.492 -14.132 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.666 10.622 -13.946 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.447 10.576 -16.237 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.684 9.054 -15.823 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.668 9.311 -17.968 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.201 10.285 -18.099 1.00 0.00 H new ATOM 203 N ALA A 12 3.967 8.888 -12.184 1.00 0.00 N ATOM 204 CA ALA A 12 4.989 7.978 -11.681 1.00 0.00 C ATOM 205 C ALA A 12 4.383 6.934 -10.756 1.00 0.00 C ATOM 206 O ALA A 12 3.685 7.269 -9.795 1.00 0.00 O ATOM 207 CB ALA A 12 6.079 8.755 -10.960 1.00 0.00 C ATOM 0 H ALA A 12 4.123 9.869 -11.950 1.00 0.00 H new ATOM 0 HA ALA A 12 5.431 7.460 -12.532 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.835 8.063 -10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.540 9.461 -11.651 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.644 9.299 -10.122 1.00 0.00 H new ATOM 213 N LYS A 13 4.643 5.663 -11.043 1.00 0.00 N ATOM 214 CA LYS A 13 4.115 4.570 -10.235 1.00 0.00 C ATOM 215 C LYS A 13 5.161 4.083 -9.236 1.00 0.00 C ATOM 216 O LYS A 13 6.335 3.913 -9.581 1.00 0.00 O ATOM 217 CB LYS A 13 3.675 3.402 -11.140 1.00 0.00 C ATOM 218 CG LYS A 13 4.822 2.795 -11.939 1.00 0.00 C ATOM 219 CD LYS A 13 4.932 1.295 -11.694 1.00 0.00 C ATOM 220 CE LYS A 13 5.613 0.595 -12.862 1.00 0.00 C ATOM 221 NZ LYS A 13 4.629 -0.021 -13.793 1.00 0.00 N ATOM 0 H LYS A 13 5.218 5.364 -11.831 1.00 0.00 H new ATOM 0 HA LYS A 13 3.251 4.941 -9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.219 2.626 -10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.907 3.754 -11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.667 2.982 -13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.758 3.281 -11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.496 1.114 -10.779 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.938 0.874 -11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.227 1.312 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.284 -0.175 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.134 -0.487 -14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.059 -0.724 -13.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.005 0.717 -14.176 1.00 0.00 H new ATOM 235 N GLU A 14 4.728 3.861 -8.005 1.00 0.00 N ATOM 236 CA GLU A 14 5.619 3.389 -6.951 1.00 0.00 C ATOM 237 C GLU A 14 5.388 1.905 -6.681 1.00 0.00 C ATOM 238 O GLU A 14 4.321 1.371 -6.984 1.00 0.00 O ATOM 239 CB GLU A 14 5.406 4.199 -5.669 1.00 0.00 C ATOM 240 CG GLU A 14 6.497 5.226 -5.412 1.00 0.00 C ATOM 241 CD GLU A 14 7.703 4.631 -4.711 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.553 3.571 -4.070 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.797 5.227 -4.805 1.00 0.00 O ATOM 0 H GLU A 14 3.762 4.000 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 14 6.648 3.526 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.444 4.709 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.354 3.516 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.811 5.662 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.092 6.037 -4.806 1.00 0.00 H new ATOM 250 N GLU A 15 6.394 1.241 -6.122 1.00 0.00 N ATOM 251 CA GLU A 15 6.292 -0.185 -5.828 1.00 0.00 C ATOM 252 C GLU A 15 6.538 -0.472 -4.348 1.00 0.00 C ATOM 253 O GLU A 15 7.115 0.345 -3.631 1.00 0.00 O ATOM 254 CB GLU A 15 7.290 -0.970 -6.683 1.00 0.00 C ATOM 255 CG GLU A 15 7.337 -0.519 -8.134 1.00 0.00 C ATOM 256 CD GLU A 15 8.237 -1.390 -8.987 1.00 0.00 C ATOM 257 OE1 GLU A 15 9.447 -1.451 -8.694 1.00 0.00 O ATOM 258 OE2 GLU A 15 7.725 -2.017 -9.937 1.00 0.00 O ATOM 0 H GLU A 15 7.286 1.664 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 15 5.277 -0.503 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.285 -0.871 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.031 -2.028 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.328 -0.531 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.687 0.512 -8.179 1.00 0.00 H new ATOM 265 N ALA A 16 6.103 -1.650 -3.910 1.00 0.00 N ATOM 266 CA ALA A 16 6.271 -2.079 -2.531 1.00 0.00 C ATOM 267 C ALA A 16 5.974 -3.568 -2.423 1.00 0.00 C ATOM 268 O ALA A 16 5.081 -4.082 -3.093 1.00 0.00 O ATOM 269 CB ALA A 16 5.349 -1.284 -1.601 1.00 0.00 C ATOM 0 H ALA A 16 5.626 -2.330 -4.502 1.00 0.00 H new ATOM 0 HA ALA A 16 7.301 -1.894 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.490 -1.620 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.588 -0.223 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.311 -1.442 -1.895 1.00 0.00 H new ATOM 275 N ILE A 17 6.728 -4.256 -1.585 1.00 0.00 N ATOM 276 CA ILE A 17 6.537 -5.690 -1.401 1.00 0.00 C ATOM 277 C ILE A 17 6.630 -6.083 0.062 1.00 0.00 C ATOM 278 O ILE A 17 7.435 -5.539 0.817 1.00 0.00 O ATOM 279 CB ILE A 17 7.564 -6.518 -2.195 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.927 -5.815 -2.222 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.064 -6.773 -3.609 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.575 -5.687 -0.861 1.00 0.00 C ATOM 0 H ILE A 17 7.476 -3.851 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 17 5.537 -5.907 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 17 7.688 -7.479 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.597 -6.366 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.804 -4.820 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.802 -7.359 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.123 -7.321 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.908 -5.821 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.535 -5.180 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.926 -5.110 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.731 -6.679 -0.438 1.00 0.00 H new ATOM 294 N LYS A 18 5.793 -7.033 0.457 1.00 0.00 N ATOM 295 CA LYS A 18 5.772 -7.500 1.835 1.00 0.00 C ATOM 296 C LYS A 18 5.494 -8.998 1.906 1.00 0.00 C ATOM 297 O LYS A 18 4.629 -9.515 1.198 1.00 0.00 O ATOM 298 CB LYS A 18 4.721 -6.721 2.624 1.00 0.00 C ATOM 299 CG LYS A 18 4.727 -5.235 2.310 1.00 0.00 C ATOM 300 CD LYS A 18 5.929 -4.523 2.917 1.00 0.00 C ATOM 301 CE LYS A 18 6.296 -3.281 2.118 1.00 0.00 C ATOM 302 NZ LYS A 18 7.546 -2.646 2.620 1.00 0.00 N ATOM 0 H LYS A 18 5.121 -7.494 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 18 6.754 -7.326 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.734 -7.129 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.896 -6.862 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.731 -5.094 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.810 -4.782 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.707 -4.243 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.780 -5.203 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.421 -3.548 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.478 -2.562 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.761 -1.804 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.419 -2.367 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.332 -3.323 2.548 1.00 0.00 H new ATOM 316 N GLU A 19 6.235 -9.693 2.762 1.00 0.00 N ATOM 317 CA GLU A 19 6.072 -11.133 2.923 1.00 0.00 C ATOM 318 C GLU A 19 5.463 -11.456 4.283 1.00 0.00 C ATOM 319 O GLU A 19 6.075 -11.215 5.322 1.00 0.00 O ATOM 320 CB GLU A 19 7.418 -11.835 2.766 1.00 0.00 C ATOM 321 CG GLU A 19 7.326 -13.165 2.031 1.00 0.00 C ATOM 322 CD GLU A 19 8.172 -14.242 2.673 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.176 -13.903 3.334 1.00 0.00 O ATOM 324 OE2 GLU A 19 7.836 -15.439 2.514 1.00 0.00 O ATOM 0 H GLU A 19 6.955 -9.282 3.356 1.00 0.00 H new ATOM 0 HA GLU A 19 5.394 -11.493 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.101 -11.178 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.849 -12.003 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.286 -13.491 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.642 -13.027 0.997 1.00 0.00 H new ATOM 331 N ALA A 20 4.261 -12.029 4.267 1.00 0.00 N ATOM 332 CA ALA A 20 3.572 -12.391 5.501 1.00 0.00 C ATOM 333 C ALA A 20 2.243 -13.079 5.206 1.00 0.00 C ATOM 334 O ALA A 20 1.592 -12.787 4.202 1.00 0.00 O ATOM 335 CB ALA A 20 3.352 -11.164 6.367 1.00 0.00 C ATOM 0 H ALA A 20 3.746 -12.252 3.415 1.00 0.00 H new ATOM 0 HA ALA A 20 4.203 -13.094 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.837 -11.453 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.315 -10.718 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.746 -10.439 5.823 1.00 0.00 H new ATOM 341 N VAL A 21 1.843 -13.986 6.091 1.00 0.00 N ATOM 342 CA VAL A 21 0.589 -14.712 5.929 1.00 0.00 C ATOM 343 C VAL A 21 -0.605 -13.812 6.224 1.00 0.00 C ATOM 344 O VAL A 21 -1.681 -13.974 5.646 1.00 0.00 O ATOM 345 CB VAL A 21 0.532 -15.949 6.849 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.599 -15.531 8.312 1.00 0.00 C ATOM 347 CG2 VAL A 21 -0.726 -16.756 6.576 1.00 0.00 C ATOM 0 H VAL A 21 2.369 -14.236 6.928 1.00 0.00 H new ATOM 0 HA VAL A 21 0.543 -15.042 4.891 1.00 0.00 H new ATOM 0 HB VAL A 21 1.395 -16.579 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.557 -16.417 8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.531 -14.997 8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.244 -14.880 8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.751 -17.625 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.603 -16.136 6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.728 -17.087 5.537 1.00 0.00 H new ATOM 357 N ASP A 22 -0.405 -12.857 7.125 1.00 0.00 N ATOM 358 CA ASP A 22 -1.458 -11.923 7.496 1.00 0.00 C ATOM 359 C ASP A 22 -1.475 -10.731 6.548 1.00 0.00 C ATOM 360 O ASP A 22 -0.787 -9.736 6.771 1.00 0.00 O ATOM 361 CB ASP A 22 -1.260 -11.444 8.936 1.00 0.00 C ATOM 362 CG ASP A 22 -2.380 -10.533 9.400 1.00 0.00 C ATOM 363 OD1 ASP A 22 -2.483 -9.404 8.876 1.00 0.00 O ATOM 364 OD2 ASP A 22 -3.153 -10.948 10.290 1.00 0.00 O ATOM 0 H ASP A 22 0.479 -12.710 7.612 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.415 -12.439 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.199 -12.308 9.598 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.310 -10.916 9.013 1.00 0.00 H new ATOM 369 N ALA A 23 -2.263 -10.848 5.484 1.00 0.00 N ATOM 370 CA ALA A 23 -2.377 -9.788 4.485 1.00 0.00 C ATOM 371 C ALA A 23 -2.511 -8.413 5.135 1.00 0.00 C ATOM 372 O ALA A 23 -2.010 -7.415 4.611 1.00 0.00 O ATOM 373 CB ALA A 23 -3.560 -10.055 3.567 1.00 0.00 C ATOM 0 H ALA A 23 -2.835 -11.670 5.290 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.460 -9.787 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.634 -9.258 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.419 -11.009 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.477 -10.090 4.156 1.00 0.00 H new ATOM 379 N GLY A 24 -3.186 -8.368 6.278 1.00 0.00 N ATOM 380 CA GLY A 24 -3.367 -7.112 6.979 1.00 0.00 C ATOM 381 C GLY A 24 -2.048 -6.438 7.306 1.00 0.00 C ATOM 382 O GLY A 24 -1.974 -5.214 7.431 1.00 0.00 O ATOM 0 H GLY A 24 -3.610 -9.178 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.973 -6.442 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.920 -7.290 7.901 1.00 0.00 H new ATOM 386 N ILE A 25 -0.998 -7.242 7.439 1.00 0.00 N ATOM 387 CA ILE A 25 0.325 -6.719 7.750 1.00 0.00 C ATOM 388 C ILE A 25 0.895 -5.952 6.560 1.00 0.00 C ATOM 389 O ILE A 25 1.546 -4.917 6.731 1.00 0.00 O ATOM 390 CB ILE A 25 1.301 -7.851 8.156 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.908 -8.439 9.515 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.736 -7.338 8.201 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.748 -7.401 10.605 1.00 0.00 C ATOM 0 H ILE A 25 -1.039 -8.256 7.336 1.00 0.00 H new ATOM 0 HA ILE A 25 0.215 -6.040 8.595 1.00 0.00 H new ATOM 0 HB ILE A 25 1.238 -8.637 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.028 -8.986 9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.665 -9.161 9.821 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.404 -8.150 8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.020 -6.965 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.811 -6.531 8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.469 -7.892 11.537 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.690 -6.869 10.742 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.030 -6.693 10.321 1.00 0.00 H new ATOM 405 N ALA A 26 0.655 -6.457 5.353 1.00 0.00 N ATOM 406 CA ALA A 26 1.159 -5.800 4.159 1.00 0.00 C ATOM 407 C ALA A 26 0.478 -4.460 3.936 1.00 0.00 C ATOM 408 O ALA A 26 1.141 -3.466 3.647 1.00 0.00 O ATOM 409 CB ALA A 26 1.006 -6.673 2.928 1.00 0.00 C ATOM 0 H ALA A 26 0.121 -7.309 5.180 1.00 0.00 H new ATOM 0 HA ALA A 26 2.223 -5.627 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.395 -6.145 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.562 -7.600 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.048 -6.902 2.773 1.00 0.00 H new ATOM 415 N GLU A 27 -0.847 -4.424 4.074 1.00 0.00 N ATOM 416 CA GLU A 27 -1.575 -3.170 3.883 1.00 0.00 C ATOM 417 C GLU A 27 -1.021 -2.110 4.824 1.00 0.00 C ATOM 418 O GLU A 27 -0.974 -0.929 4.484 1.00 0.00 O ATOM 419 CB GLU A 27 -3.081 -3.332 4.110 1.00 0.00 C ATOM 420 CG GLU A 27 -3.424 -3.901 5.465 1.00 0.00 C ATOM 421 CD GLU A 27 -4.876 -4.325 5.573 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.261 -5.301 4.895 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.628 -3.679 6.332 1.00 0.00 O ATOM 0 H GLU A 27 -1.427 -5.228 4.312 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.435 -2.862 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.564 -2.361 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.490 -3.982 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.783 -4.760 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.209 -3.157 6.232 1.00 0.00 H new ATOM 430 N LYS A 28 -0.581 -2.548 6.004 1.00 0.00 N ATOM 431 CA LYS A 28 -0.005 -1.633 6.980 1.00 0.00 C ATOM 432 C LYS A 28 1.262 -1.002 6.422 1.00 0.00 C ATOM 433 O LYS A 28 1.479 0.199 6.558 1.00 0.00 O ATOM 434 CB LYS A 28 0.310 -2.362 8.285 1.00 0.00 C ATOM 435 CG LYS A 28 -0.926 -2.729 9.082 1.00 0.00 C ATOM 436 CD LYS A 28 -0.625 -2.828 10.568 1.00 0.00 C ATOM 437 CE LYS A 28 -0.327 -4.260 10.979 1.00 0.00 C ATOM 438 NZ LYS A 28 -1.473 -4.883 11.695 1.00 0.00 N ATOM 0 H LYS A 28 -0.613 -3.523 6.302 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.735 -0.850 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.871 -3.269 8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.955 -1.732 8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.702 -1.981 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.320 -3.681 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.227 -2.193 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.475 -2.453 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.089 -4.849 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.554 -4.277 11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.229 -5.859 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.685 -4.336 12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.308 -4.890 11.075 1.00 0.00 H new ATOM 452 N TYR A 29 2.089 -1.824 5.782 1.00 0.00 N ATOM 453 CA TYR A 29 3.335 -1.342 5.186 1.00 0.00 C ATOM 454 C TYR A 29 3.075 -0.635 3.889 1.00 0.00 C ATOM 455 O TYR A 29 3.738 0.340 3.536 1.00 0.00 O ATOM 456 CB TYR A 29 4.290 -2.487 4.911 1.00 0.00 C ATOM 457 CG TYR A 29 5.289 -2.644 6.030 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.886 -1.511 6.563 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.631 -3.879 6.558 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.789 -1.589 7.586 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.537 -3.975 7.590 1.00 0.00 C ATOM 462 CZ TYR A 29 7.117 -2.825 8.103 1.00 0.00 C ATOM 463 OH TYR A 29 8.025 -2.914 9.133 1.00 0.00 O ATOM 0 H TYR A 29 1.922 -2.823 5.662 1.00 0.00 H new ATOM 0 HA TYR A 29 3.779 -0.653 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.727 -3.413 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.816 -2.308 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.631 -0.542 6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.182 -4.775 6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.241 -0.693 7.985 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.795 -4.941 7.998 1.00 0.00 H new ATOM 0 HH TYR A 29 8.145 -3.854 9.383 1.00 0.00 H new ATOM 473 N PHE A 30 2.094 -1.140 3.195 1.00 0.00 N ATOM 474 CA PHE A 30 1.697 -0.590 1.938 1.00 0.00 C ATOM 475 C PHE A 30 1.172 0.805 2.191 1.00 0.00 C ATOM 476 O PHE A 30 1.447 1.739 1.441 1.00 0.00 O ATOM 477 CB PHE A 30 0.638 -1.500 1.321 1.00 0.00 C ATOM 478 CG PHE A 30 1.172 -2.835 0.852 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.520 -3.044 0.610 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.303 -3.864 0.608 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.977 -4.252 0.134 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.748 -5.077 0.121 1.00 0.00 C ATOM 483 CZ PHE A 30 2.092 -5.267 -0.120 1.00 0.00 C ATOM 0 H PHE A 30 1.547 -1.949 3.490 1.00 0.00 H new ATOM 0 HA PHE A 30 2.529 -0.526 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.150 -1.673 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.180 -0.986 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.224 -2.246 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.751 -3.725 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.033 -4.400 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.045 -5.874 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.446 -6.211 -0.507 1.00 0.00 H new ATOM 493 N LYS A 31 0.458 0.938 3.305 1.00 0.00 N ATOM 494 CA LYS A 31 -0.062 2.219 3.729 1.00 0.00 C ATOM 495 C LYS A 31 1.024 2.952 4.512 1.00 0.00 C ATOM 496 O LYS A 31 0.998 4.177 4.625 1.00 0.00 O ATOM 497 CB LYS A 31 -1.332 2.051 4.575 1.00 0.00 C ATOM 498 CG LYS A 31 -1.079 1.545 5.990 1.00 0.00 C ATOM 499 CD LYS A 31 -2.381 1.233 6.709 1.00 0.00 C ATOM 500 CE LYS A 31 -3.067 2.498 7.198 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.529 2.484 6.913 1.00 0.00 N ATOM 0 H LYS A 31 0.229 0.164 3.929 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.339 2.805 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.847 3.010 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.003 1.358 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.459 0.649 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.522 2.295 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.048 0.693 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.181 0.576 7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.908 2.606 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.612 3.365 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.959 3.364 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.682 2.407 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.968 1.671 7.390 1.00 0.00 H new ATOM 515 N LEU A 32 1.998 2.192 5.037 1.00 0.00 N ATOM 516 CA LEU A 32 3.101 2.799 5.786 1.00 0.00 C ATOM 517 C LEU A 32 3.948 3.659 4.854 1.00 0.00 C ATOM 518 O LEU A 32 4.292 4.795 5.183 1.00 0.00 O ATOM 519 CB LEU A 32 3.970 1.742 6.484 1.00 0.00 C ATOM 520 CG LEU A 32 4.584 2.196 7.810 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.514 2.302 8.885 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.677 1.237 8.239 1.00 0.00 C ATOM 0 H LEU A 32 2.042 1.176 4.958 1.00 0.00 H new ATOM 0 HA LEU A 32 2.671 3.428 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.364 0.854 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.773 1.448 5.809 1.00 0.00 H new ATOM 0 HG LEU A 32 5.025 3.183 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.969 2.626 9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.760 3.027 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.044 1.329 9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.105 1.572 9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.257 0.239 8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.456 1.209 7.477 1.00 0.00 H new ATOM 534 N ILE A 33 4.260 3.122 3.675 1.00 0.00 N ATOM 535 CA ILE A 33 5.042 3.858 2.696 1.00 0.00 C ATOM 536 C ILE A 33 4.137 4.704 1.806 1.00 0.00 C ATOM 537 O ILE A 33 4.508 5.807 1.408 1.00 0.00 O ATOM 538 CB ILE A 33 5.891 2.921 1.812 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.757 3.739 0.845 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.000 1.956 1.045 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.374 4.975 1.470 1.00 0.00 C ATOM 0 H ILE A 33 3.983 2.186 3.381 1.00 0.00 H new ATOM 0 HA ILE A 33 5.716 4.507 3.256 1.00 0.00 H new ATOM 0 HB ILE A 33 6.549 2.339 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.553 3.103 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.148 4.040 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.617 1.304 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.426 1.353 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.317 2.519 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.971 5.500 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.584 5.633 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.011 4.681 2.304 1.00 0.00 H new ATOM 553 N ALA A 34 2.943 4.196 1.505 1.00 0.00 N ATOM 554 CA ALA A 34 2.003 4.932 0.674 1.00 0.00 C ATOM 555 C ALA A 34 1.694 6.283 1.305 1.00 0.00 C ATOM 556 O ALA A 34 1.439 7.263 0.606 1.00 0.00 O ATOM 557 CB ALA A 34 0.727 4.131 0.471 1.00 0.00 C ATOM 0 H ALA A 34 2.609 3.286 1.823 1.00 0.00 H new ATOM 0 HA ALA A 34 2.457 5.099 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.037 4.698 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.965 3.186 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.264 3.934 1.438 1.00 0.00 H new ATOM 563 N ASN A 35 1.742 6.329 2.635 1.00 0.00 N ATOM 564 CA ASN A 35 1.491 7.562 3.368 1.00 0.00 C ATOM 565 C ASN A 35 2.787 8.351 3.518 1.00 0.00 C ATOM 566 O ASN A 35 2.783 9.581 3.518 1.00 0.00 O ATOM 567 CB ASN A 35 0.900 7.258 4.746 1.00 0.00 C ATOM 568 CG ASN A 35 -0.613 7.157 4.717 1.00 0.00 C ATOM 569 OD1 ASN A 35 -1.199 6.723 3.725 1.00 0.00 O ATOM 570 ND2 ASN A 35 -1.253 7.557 5.809 1.00 0.00 N ATOM 0 H ASN A 35 1.953 5.524 3.225 1.00 0.00 H new ATOM 0 HA ASN A 35 0.772 8.159 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.317 6.322 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.196 8.040 5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.271 7.511 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.727 7.910 6.608 1.00 0.00 H new ATOM 577 N ALA A 36 3.897 7.625 3.635 1.00 0.00 N ATOM 578 CA ALA A 36 5.206 8.249 3.774 1.00 0.00 C ATOM 579 C ALA A 36 5.669 8.839 2.445 1.00 0.00 C ATOM 580 O ALA A 36 6.440 9.799 2.416 1.00 0.00 O ATOM 581 CB ALA A 36 6.220 7.239 4.289 1.00 0.00 C ATOM 0 H ALA A 36 3.914 6.605 3.636 1.00 0.00 H new ATOM 0 HA ALA A 36 5.124 9.061 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.194 7.719 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.899 6.865 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.295 6.408 3.587 1.00 0.00 H new ATOM 587 N LYS A 37 5.187 8.263 1.347 1.00 0.00 N ATOM 588 CA LYS A 37 5.548 8.743 0.013 1.00 0.00 C ATOM 589 C LYS A 37 4.527 9.760 -0.488 1.00 0.00 C ATOM 590 O LYS A 37 4.885 10.853 -0.927 1.00 0.00 O ATOM 591 CB LYS A 37 5.662 7.589 -0.994 1.00 0.00 C ATOM 592 CG LYS A 37 6.955 6.799 -0.871 1.00 0.00 C ATOM 593 CD LYS A 37 7.869 7.034 -2.063 1.00 0.00 C ATOM 594 CE LYS A 37 9.246 6.433 -1.835 1.00 0.00 C ATOM 595 NZ LYS A 37 10.196 7.422 -1.256 1.00 0.00 N ATOM 0 H LYS A 37 4.549 7.467 1.352 1.00 0.00 H new ATOM 0 HA LYS A 37 6.524 9.222 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.818 6.913 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.586 7.991 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.471 7.084 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.727 5.736 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.423 6.597 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.964 8.105 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.162 5.576 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.641 6.061 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.123 6.972 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.297 8.228 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.833 7.758 -0.341 1.00 0.00 H new ATOM 609 N THR A 38 3.252 9.388 -0.418 1.00 0.00 N ATOM 610 CA THR A 38 2.168 10.259 -0.864 1.00 0.00 C ATOM 611 C THR A 38 0.905 10.010 -0.034 1.00 0.00 C ATOM 612 O THR A 38 0.992 9.607 1.125 1.00 0.00 O ATOM 613 CB THR A 38 1.889 10.029 -2.352 1.00 0.00 C ATOM 614 OG1 THR A 38 0.927 10.951 -2.832 1.00 0.00 O ATOM 615 CG2 THR A 38 1.383 8.636 -2.658 1.00 0.00 C ATOM 0 H THR A 38 2.943 8.486 -0.055 1.00 0.00 H new ATOM 0 HA THR A 38 2.470 11.297 -0.722 1.00 0.00 H new ATOM 0 HB THR A 38 2.849 10.167 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.243 10.473 -3.345 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.205 8.541 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.126 7.902 -2.347 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.452 8.460 -2.119 1.00 0.00 H new ATOM 623 N VAL A 39 -0.266 10.247 -0.626 1.00 0.00 N ATOM 624 CA VAL A 39 -1.527 10.037 0.078 1.00 0.00 C ATOM 625 C VAL A 39 -2.723 10.211 -0.870 1.00 0.00 C ATOM 626 O VAL A 39 -2.543 10.507 -2.050 1.00 0.00 O ATOM 627 CB VAL A 39 -1.656 11.000 1.283 1.00 0.00 C ATOM 628 CG1 VAL A 39 -2.163 12.368 0.847 1.00 0.00 C ATOM 629 CG2 VAL A 39 -2.557 10.403 2.354 1.00 0.00 C ATOM 0 H VAL A 39 -0.366 10.582 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.529 9.013 0.452 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.662 11.137 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.242 13.021 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.467 12.802 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.143 12.262 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.634 11.096 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.549 10.225 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.135 9.460 2.701 1.00 0.00 H new ATOM 639 N GLU A 40 -3.941 10.029 -0.350 1.00 0.00 N ATOM 640 CA GLU A 40 -5.147 10.169 -1.157 1.00 0.00 C ATOM 641 C GLU A 40 -5.183 9.143 -2.280 1.00 0.00 C ATOM 642 O GLU A 40 -4.185 8.906 -2.959 1.00 0.00 O ATOM 643 CB GLU A 40 -5.245 11.577 -1.740 1.00 0.00 C ATOM 644 CG GLU A 40 -6.493 11.804 -2.579 1.00 0.00 C ATOM 645 CD GLU A 40 -7.767 11.742 -1.759 1.00 0.00 C ATOM 646 OE1 GLU A 40 -8.020 12.688 -0.983 1.00 0.00 O ATOM 647 OE2 GLU A 40 -8.511 10.747 -1.892 1.00 0.00 O ATOM 0 H GLU A 40 -4.113 9.785 0.625 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.001 9.994 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.229 12.300 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.365 11.769 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.426 12.777 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.537 11.054 -3.369 1.00 0.00 H new ATOM 654 N GLY A 41 -6.347 8.541 -2.463 1.00 0.00 N ATOM 655 CA GLY A 41 -6.509 7.538 -3.509 1.00 0.00 C ATOM 656 C GLY A 41 -7.401 6.388 -3.085 1.00 0.00 C ATOM 657 O GLY A 41 -7.543 6.108 -1.895 1.00 0.00 O ATOM 0 H GLY A 41 -7.185 8.724 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.929 8.010 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.530 7.149 -3.788 1.00 0.00 H new ATOM 661 N VAL A 42 -7.994 5.708 -4.065 1.00 0.00 N ATOM 662 CA VAL A 42 -8.864 4.574 -3.787 1.00 0.00 C ATOM 663 C VAL A 42 -8.033 3.334 -3.481 1.00 0.00 C ATOM 664 O VAL A 42 -7.434 2.734 -4.375 1.00 0.00 O ATOM 665 CB VAL A 42 -9.811 4.274 -4.966 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.929 5.304 -5.027 1.00 0.00 C ATOM 667 CG2 VAL A 42 -9.042 4.233 -6.277 1.00 0.00 C ATOM 0 H VAL A 42 -7.886 5.925 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.471 4.837 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.258 3.293 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.588 5.077 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.500 5.277 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.501 6.298 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.729 4.020 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.562 5.197 -6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.282 3.453 -6.229 1.00 0.00 H new ATOM 677 N TRP A 43 -7.986 2.971 -2.207 1.00 0.00 N ATOM 678 CA TRP A 43 -7.223 1.830 -1.751 1.00 0.00 C ATOM 679 C TRP A 43 -7.957 0.521 -2.033 1.00 0.00 C ATOM 680 O TRP A 43 -9.105 0.343 -1.627 1.00 0.00 O ATOM 681 CB TRP A 43 -6.980 1.996 -0.258 1.00 0.00 C ATOM 682 CG TRP A 43 -5.638 2.579 0.080 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.324 3.911 0.167 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.423 1.865 0.372 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.004 4.066 0.501 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.431 2.831 0.632 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.070 0.510 0.445 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.123 2.482 0.956 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.768 0.184 0.766 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.817 1.163 1.018 1.00 0.00 C ATOM 0 H TRP A 43 -8.479 3.464 -1.463 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.276 1.785 -2.288 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.758 2.636 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.075 1.024 0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.017 4.721 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.526 4.958 0.631 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.801 -0.262 0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.376 3.237 1.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.483 -0.856 0.822 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.809 0.867 1.269 1.00 0.00 H new ATOM 701 N THR A 44 -7.287 -0.392 -2.731 1.00 0.00 N ATOM 702 CA THR A 44 -7.876 -1.684 -3.067 1.00 0.00 C ATOM 703 C THR A 44 -6.815 -2.780 -3.100 1.00 0.00 C ATOM 704 O THR A 44 -5.629 -2.505 -3.281 1.00 0.00 O ATOM 705 CB THR A 44 -8.588 -1.607 -4.419 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.765 -0.972 -5.382 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.897 -0.850 -4.363 1.00 0.00 C ATOM 0 H THR A 44 -6.336 -0.261 -3.075 1.00 0.00 H new ATOM 0 HA THR A 44 -8.602 -1.933 -2.293 1.00 0.00 H new ATOM 0 HB THR A 44 -8.796 -2.640 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.861 -0.863 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.350 -0.833 -5.354 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.573 -1.343 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.713 0.172 -4.031 1.00 0.00 H new ATOM 715 N TYR A 45 -7.252 -4.026 -2.933 1.00 0.00 N ATOM 716 CA TYR A 45 -6.340 -5.168 -2.953 1.00 0.00 C ATOM 717 C TYR A 45 -6.949 -6.334 -3.728 1.00 0.00 C ATOM 718 O TYR A 45 -8.048 -6.794 -3.419 1.00 0.00 O ATOM 719 CB TYR A 45 -5.976 -5.603 -1.521 1.00 0.00 C ATOM 720 CG TYR A 45 -5.512 -7.041 -1.409 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.192 -7.388 -1.670 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.395 -8.048 -1.040 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.767 -8.699 -1.566 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.977 -9.361 -0.934 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.662 -9.681 -1.197 1.00 0.00 C ATOM 726 OH TYR A 45 -4.242 -10.987 -1.092 1.00 0.00 O ATOM 0 H TYR A 45 -8.231 -4.271 -2.782 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.425 -4.860 -3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.190 -4.949 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.845 -5.462 -0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.488 -6.622 -1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.426 -7.801 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.738 -8.953 -1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.677 -10.132 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.995 -11.552 -0.821 1.00 0.00 H new ATOM 736 N LYS A 46 -6.221 -6.810 -4.733 1.00 0.00 N ATOM 737 CA LYS A 46 -6.680 -7.928 -5.549 1.00 0.00 C ATOM 738 C LYS A 46 -6.020 -9.225 -5.096 1.00 0.00 C ATOM 739 O LYS A 46 -4.817 -9.259 -4.833 1.00 0.00 O ATOM 740 CB LYS A 46 -6.370 -7.673 -7.025 1.00 0.00 C ATOM 741 CG LYS A 46 -6.699 -6.261 -7.481 1.00 0.00 C ATOM 742 CD LYS A 46 -6.551 -6.114 -8.986 1.00 0.00 C ATOM 743 CE LYS A 46 -7.314 -4.907 -9.505 1.00 0.00 C ATOM 744 NZ LYS A 46 -7.278 -4.824 -10.992 1.00 0.00 N ATOM 0 H LYS A 46 -5.310 -6.438 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.759 -8.022 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.312 -7.866 -7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.931 -8.382 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.719 -6.011 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.041 -5.552 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.496 -6.016 -9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.916 -7.016 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.350 -4.961 -9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.888 -3.998 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.810 -3.987 -11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.291 -4.747 -11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.708 -5.680 -11.398 1.00 0.00 H new ATOM 758 N ASP A 47 -6.808 -10.291 -5.003 1.00 0.00 N ATOM 759 CA ASP A 47 -6.280 -11.583 -4.577 1.00 0.00 C ATOM 760 C ASP A 47 -5.229 -12.083 -5.572 1.00 0.00 C ATOM 761 O ASP A 47 -4.081 -11.647 -5.525 1.00 0.00 O ATOM 762 CB ASP A 47 -7.414 -12.608 -4.402 1.00 0.00 C ATOM 763 CG ASP A 47 -6.899 -14.009 -4.142 1.00 0.00 C ATOM 764 OD1 ASP A 47 -5.854 -14.136 -3.471 1.00 0.00 O ATOM 765 OD2 ASP A 47 -7.541 -14.972 -4.607 1.00 0.00 O ATOM 0 H ASP A 47 -7.806 -10.287 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.797 -11.457 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.052 -12.300 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.035 -12.614 -5.298 1.00 0.00 H new ATOM 770 N GLU A 48 -5.622 -12.988 -6.472 1.00 0.00 N ATOM 771 CA GLU A 48 -4.708 -13.533 -7.475 1.00 0.00 C ATOM 772 C GLU A 48 -3.418 -14.033 -6.832 1.00 0.00 C ATOM 773 O GLU A 48 -3.260 -15.228 -6.590 1.00 0.00 O ATOM 774 CB GLU A 48 -4.392 -12.478 -8.537 1.00 0.00 C ATOM 775 CG GLU A 48 -5.562 -12.174 -9.459 1.00 0.00 C ATOM 776 CD GLU A 48 -6.132 -13.414 -10.110 1.00 0.00 C ATOM 777 OE1 GLU A 48 -6.967 -14.094 -9.473 1.00 0.00 O ATOM 778 OE2 GLU A 48 -5.738 -13.721 -11.257 1.00 0.00 O ATOM 0 H GLU A 48 -6.571 -13.359 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.201 -14.380 -7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.081 -11.558 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.547 -12.819 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.346 -11.674 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.237 -11.479 -10.233 1.00 0.00 H new ATOM 785 N ILE A 49 -2.500 -13.113 -6.555 1.00 0.00 N ATOM 786 CA ILE A 49 -1.228 -13.457 -5.935 1.00 0.00 C ATOM 787 C ILE A 49 -0.884 -12.487 -4.809 1.00 0.00 C ATOM 788 O ILE A 49 0.289 -12.238 -4.529 1.00 0.00 O ATOM 789 CB ILE A 49 -0.077 -13.465 -6.965 1.00 0.00 C ATOM 790 CG1 ILE A 49 0.098 -12.076 -7.586 1.00 0.00 C ATOM 791 CG2 ILE A 49 -0.333 -14.510 -8.042 1.00 0.00 C ATOM 792 CD1 ILE A 49 -1.024 -11.680 -8.520 1.00 0.00 C ATOM 0 H ILE A 49 -2.615 -12.119 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.341 -14.461 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 49 0.847 -13.726 -6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.171 -11.338 -6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.040 -12.049 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.488 -14.502 -8.759 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.404 -15.496 -7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.266 -14.281 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.830 -10.685 -8.920 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.085 -12.396 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.967 -11.674 -7.974 1.00 0.00 H new ATOM 804 N LYS A 50 -1.913 -11.951 -4.168 1.00 0.00 N ATOM 805 CA LYS A 50 -1.727 -11.008 -3.071 1.00 0.00 C ATOM 806 C LYS A 50 -1.014 -9.746 -3.547 1.00 0.00 C ATOM 807 O LYS A 50 0.216 -9.690 -3.587 1.00 0.00 O ATOM 808 CB LYS A 50 -0.931 -11.661 -1.938 1.00 0.00 C ATOM 809 CG LYS A 50 -1.621 -12.870 -1.333 1.00 0.00 C ATOM 810 CD LYS A 50 -1.045 -14.163 -1.877 1.00 0.00 C ATOM 811 CE LYS A 50 -2.127 -15.209 -2.092 1.00 0.00 C ATOM 812 NZ LYS A 50 -1.671 -16.575 -1.693 1.00 0.00 N ATOM 0 H LYS A 50 -2.888 -12.153 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.712 -10.726 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.046 -11.962 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.756 -10.923 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.512 -12.849 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.689 -12.827 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.535 -13.967 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.297 -14.549 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.012 -14.939 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.421 -15.217 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.444 -17.255 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.852 -16.851 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.399 -16.571 -0.689 1.00 0.00 H new ATOM 826 N THR A 51 -1.796 -8.733 -3.908 1.00 0.00 N ATOM 827 CA THR A 51 -1.237 -7.472 -4.381 1.00 0.00 C ATOM 828 C THR A 51 -2.150 -6.300 -4.041 1.00 0.00 C ATOM 829 O THR A 51 -3.360 -6.354 -4.264 1.00 0.00 O ATOM 830 CB THR A 51 -1.002 -7.529 -5.891 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.161 -8.617 -6.228 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.369 -6.272 -6.448 1.00 0.00 C ATOM 0 H THR A 51 -2.815 -8.761 -3.882 1.00 0.00 H new ATOM 0 HA THR A 51 -0.284 -7.319 -3.875 1.00 0.00 H new ATOM 0 HB THR A 51 -1.993 -7.644 -6.331 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.025 -8.637 -7.198 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.230 -6.380 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.018 -5.419 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.598 -6.110 -5.972 1.00 0.00 H new ATOM 840 N PHE A 52 -1.558 -5.241 -3.501 1.00 0.00 N ATOM 841 CA PHE A 52 -2.307 -4.048 -3.130 1.00 0.00 C ATOM 842 C PHE A 52 -2.077 -2.937 -4.146 1.00 0.00 C ATOM 843 O PHE A 52 -0.982 -2.787 -4.684 1.00 0.00 O ATOM 844 CB PHE A 52 -1.900 -3.587 -1.732 1.00 0.00 C ATOM 845 CG PHE A 52 -2.897 -3.936 -0.665 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.851 -5.169 -0.034 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.879 -3.033 -0.295 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.768 -5.494 0.947 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.799 -3.352 0.685 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.744 -4.585 1.306 1.00 0.00 C ATOM 0 H PHE A 52 -0.558 -5.185 -3.310 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.370 -4.290 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.939 -4.033 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.757 -2.506 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.090 -5.883 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.926 -2.068 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.722 -6.458 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.560 -2.639 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.463 -4.838 2.071 1.00 0.00 H new ATOM 860 N THR A 53 -3.121 -2.173 -4.416 1.00 0.00 N ATOM 861 CA THR A 53 -3.036 -1.082 -5.385 1.00 0.00 C ATOM 862 C THR A 53 -3.876 0.123 -4.967 1.00 0.00 C ATOM 863 O THR A 53 -4.992 -0.028 -4.472 1.00 0.00 O ATOM 864 CB THR A 53 -3.483 -1.569 -6.763 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.747 -2.714 -7.153 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.320 -0.527 -7.849 1.00 0.00 C ATOM 0 H THR A 53 -4.037 -2.283 -3.982 1.00 0.00 H new ATOM 0 HA THR A 53 -1.995 -0.763 -5.425 1.00 0.00 H new ATOM 0 HB THR A 53 -4.544 -1.798 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.049 -3.011 -8.037 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.656 -0.938 -8.801 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.916 0.352 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.270 -0.243 -7.926 1.00 0.00 H new ATOM 874 N VAL A 54 -3.341 1.319 -5.201 1.00 0.00 N ATOM 875 CA VAL A 54 -4.056 2.554 -4.880 1.00 0.00 C ATOM 876 C VAL A 54 -4.192 3.428 -6.128 1.00 0.00 C ATOM 877 O VAL A 54 -3.197 3.781 -6.762 1.00 0.00 O ATOM 878 CB VAL A 54 -3.377 3.348 -3.727 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.731 4.645 -4.228 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.400 3.662 -2.640 1.00 0.00 C ATOM 0 H VAL A 54 -2.418 1.460 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.049 2.272 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.585 2.722 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.269 5.168 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.971 4.409 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.494 5.281 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.918 4.218 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.207 4.261 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.807 2.732 -2.244 1.00 0.00 H new ATOM 890 N THR A 55 -5.427 3.769 -6.477 1.00 0.00 N ATOM 891 CA THR A 55 -5.686 4.595 -7.652 1.00 0.00 C ATOM 892 C THR A 55 -6.159 5.989 -7.249 1.00 0.00 C ATOM 893 O THR A 55 -7.069 6.135 -6.436 1.00 0.00 O ATOM 894 CB THR A 55 -6.732 3.930 -8.550 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.834 2.547 -8.262 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.428 4.071 -10.025 1.00 0.00 C ATOM 0 H THR A 55 -6.263 3.488 -5.965 1.00 0.00 H new ATOM 0 HA THR A 55 -4.752 4.695 -8.204 1.00 0.00 H new ATOM 0 HB THR A 55 -7.668 4.447 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.509 2.140 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.208 3.578 -10.606 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.392 5.128 -10.290 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.465 3.609 -10.244 1.00 0.00 H new ATOM 904 N GLU A 56 -5.534 7.010 -7.826 1.00 0.00 N ATOM 905 CA GLU A 56 -5.893 8.392 -7.528 1.00 0.00 C ATOM 906 C GLU A 56 -6.405 9.103 -8.776 1.00 0.00 C ATOM 907 O GLU A 56 -5.724 9.027 -9.820 1.00 0.00 O ATOM 908 CB GLU A 56 -4.688 9.143 -6.958 1.00 0.00 C ATOM 909 CG GLU A 56 -5.066 10.376 -6.154 1.00 0.00 C ATOM 910 CD GLU A 56 -5.007 11.649 -6.977 1.00 0.00 C ATOM 911 OE1 GLU A 56 -5.825 11.790 -7.910 1.00 0.00 O ATOM 912 OE2 GLU A 56 -4.143 12.504 -6.688 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.483 9.730 -8.699 1.00 0.00 O ATOM 0 H GLU A 56 -4.777 6.907 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.690 8.381 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.116 8.467 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.034 9.440 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.073 10.251 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.395 10.468 -5.300 1.00 0.00 H new TER 920 GLU A 56