USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 641 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 40 SER OG : rot -167:sc= -2.01! USER MOD Set 1.2: A 76 LYS NZ :NH3+ 147:sc= -0.866 (180deg=-2.39!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00777 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.00763) USER MOD Single : A 8 ASN : amide:sc= -9.31! K(o=-9.3!,f=-2.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.0416 (180deg=-0.389) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= -2.63! (180deg=-2.68) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 22 ASN : amide:sc= -8.09! C(o=-8.1!,f=-6.9!) USER MOD Single : A 23 THR OG1 : rot 84:sc= 0.515 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -179:sc= -2.84! USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -1.2 (180deg=-2.1) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -95:sc=-0.00865! USER MOD Single : A 41 GLN : amide:sc= -5.19! C(o=-5.2!,f=-6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -53:sc= 0.102 USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= -2.08! (180deg=-2.84!) USER MOD Single : A 52 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.093) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -140:sc= 0.0843 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 21:sc= -6.14! USER MOD Single : A 63 LYS NZ :NH3+ -115:sc= 0.644 (180deg=-4.46!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 71 MET CE :methyl 150:sc= -0.571 (180deg=-2.34!) USER MOD Single : A 73 SER OG : rot 71:sc= 0.824 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 57:sc= 0.949 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.039 -20.744 3.479 1.00 0.00 N ATOM 2 CA MET A 1 -1.203 -19.532 3.711 1.00 0.00 C ATOM 3 C MET A 1 -0.443 -19.189 2.434 1.00 0.00 C ATOM 4 O MET A 1 0.429 -19.941 1.997 1.00 0.00 O ATOM 5 CB MET A 1 -0.218 -19.809 4.849 1.00 0.00 C ATOM 6 CG MET A 1 0.580 -18.539 5.157 1.00 0.00 C ATOM 7 SD MET A 1 1.358 -18.695 6.785 1.00 0.00 S ATOM 8 CE MET A 1 2.824 -19.611 6.251 1.00 0.00 C ATOM 0 H1 MET A 1 -2.558 -20.979 4.349 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.716 -20.557 2.712 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.427 -21.542 3.214 1.00 0.00 H new ATOM 0 HA MET A 1 -1.839 -18.690 3.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.757 -20.137 5.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.458 -20.617 4.570 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.340 -18.380 4.392 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.078 -17.670 5.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.458 -19.818 7.113 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.518 -20.551 5.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.380 -19.017 5.526 1.00 0.00 H new ATOM 20 N VAL A 2 -0.782 -18.049 1.838 1.00 0.00 N ATOM 21 CA VAL A 2 -0.127 -17.611 0.608 1.00 0.00 C ATOM 22 C VAL A 2 0.945 -16.575 0.918 1.00 0.00 C ATOM 23 O VAL A 2 0.704 -15.595 1.622 1.00 0.00 O ATOM 24 CB VAL A 2 -1.169 -17.048 -0.386 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.553 -17.025 0.267 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.802 -15.623 -0.825 1.00 0.00 C ATOM 0 H VAL A 2 -1.502 -17.415 2.184 1.00 0.00 H new ATOM 0 HA VAL A 2 0.356 -18.471 0.143 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.179 -17.696 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.282 -16.627 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.838 -18.038 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.526 -16.393 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.552 -15.253 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.766 -14.971 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.173 -15.632 -1.311 1.00 0.00 H new ATOM 36 N SER A 3 2.128 -16.810 0.371 1.00 0.00 N ATOM 37 CA SER A 3 3.259 -15.912 0.559 1.00 0.00 C ATOM 38 C SER A 3 3.457 -15.072 -0.692 1.00 0.00 C ATOM 39 O SER A 3 3.312 -15.569 -1.807 1.00 0.00 O ATOM 40 CB SER A 3 4.526 -16.719 0.842 1.00 0.00 C ATOM 41 OG SER A 3 4.654 -17.750 -0.128 1.00 0.00 O ATOM 0 H SER A 3 2.331 -17.622 -0.212 1.00 0.00 H new ATOM 0 HA SER A 3 3.057 -15.258 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.399 -16.068 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.481 -17.149 1.843 1.00 0.00 H new ATOM 0 HG SER A 3 5.467 -18.268 0.050 1.00 0.00 H new ATOM 47 N LEU A 4 3.773 -13.796 -0.509 1.00 0.00 N ATOM 48 CA LEU A 4 3.969 -12.906 -1.646 1.00 0.00 C ATOM 49 C LEU A 4 5.243 -12.093 -1.493 1.00 0.00 C ATOM 50 O LEU A 4 5.931 -12.173 -0.476 1.00 0.00 O ATOM 51 CB LEU A 4 2.777 -11.959 -1.774 1.00 0.00 C ATOM 52 CG LEU A 4 1.503 -12.779 -1.963 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.284 -11.859 -1.867 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.525 -13.475 -3.333 1.00 0.00 C ATOM 0 H LEU A 4 3.898 -13.358 0.404 1.00 0.00 H new ATOM 0 HA LEU A 4 4.055 -13.519 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.694 -11.337 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.920 -11.287 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 4 1.445 -13.538 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.625 -12.445 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.265 -11.381 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.342 -11.096 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.613 -14.058 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.589 -12.725 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.389 -14.137 -3.391 1.00 0.00 H new ATOM 66 N THR A 5 5.541 -11.309 -2.518 1.00 0.00 N ATOM 67 CA THR A 5 6.736 -10.466 -2.510 1.00 0.00 C ATOM 68 C THR A 5 6.404 -9.050 -2.962 1.00 0.00 C ATOM 69 O THR A 5 5.984 -8.835 -4.098 1.00 0.00 O ATOM 70 CB THR A 5 7.808 -11.049 -3.439 1.00 0.00 C ATOM 71 OG1 THR A 5 8.475 -12.115 -2.778 1.00 0.00 O ATOM 72 CG2 THR A 5 8.825 -9.957 -3.809 1.00 0.00 C ATOM 0 H THR A 5 4.977 -11.236 -3.365 1.00 0.00 H new ATOM 0 HA THR A 5 7.114 -10.436 -1.488 1.00 0.00 H new ATOM 0 HB THR A 5 7.335 -11.421 -4.348 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.159 -12.490 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.585 -10.376 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.313 -9.140 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.300 -9.580 -2.903 1.00 0.00 H new ATOM 80 N PHE A 6 6.614 -8.087 -2.075 1.00 0.00 N ATOM 81 CA PHE A 6 6.350 -6.692 -2.405 1.00 0.00 C ATOM 82 C PHE A 6 7.648 -6.010 -2.832 1.00 0.00 C ATOM 83 O PHE A 6 8.561 -5.847 -2.023 1.00 0.00 O ATOM 84 CB PHE A 6 5.766 -5.969 -1.193 1.00 0.00 C ATOM 85 CG PHE A 6 4.354 -6.446 -0.938 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.114 -7.780 -0.588 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.285 -5.548 -1.040 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.806 -8.213 -0.340 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.979 -5.982 -0.792 1.00 0.00 C ATOM 90 CZ PHE A 6 1.739 -7.315 -0.441 1.00 0.00 C ATOM 0 H PHE A 6 6.963 -8.243 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 6 5.632 -6.651 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.385 -6.154 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.770 -4.893 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.937 -8.475 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.469 -4.519 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.621 -9.242 -0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.155 -5.288 -0.871 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.731 -7.650 -0.248 1.00 0.00 H new ATOM 100 N LYS A 7 7.735 -5.623 -4.106 1.00 0.00 N ATOM 101 CA LYS A 7 8.945 -4.972 -4.613 1.00 0.00 C ATOM 102 C LYS A 7 8.685 -3.500 -4.928 1.00 0.00 C ATOM 103 O LYS A 7 7.606 -3.131 -5.392 1.00 0.00 O ATOM 104 CB LYS A 7 9.450 -5.704 -5.867 1.00 0.00 C ATOM 105 CG LYS A 7 8.680 -5.230 -7.111 1.00 0.00 C ATOM 106 CD LYS A 7 9.378 -4.011 -7.745 1.00 0.00 C ATOM 107 CE LYS A 7 10.102 -4.434 -9.027 1.00 0.00 C ATOM 108 NZ LYS A 7 9.107 -4.610 -10.122 1.00 0.00 N ATOM 0 H LYS A 7 6.995 -5.746 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 7 9.710 -5.021 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.516 -5.519 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.326 -6.780 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.618 -6.040 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.658 -4.969 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.644 -3.237 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.089 -3.581 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.838 -3.681 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.645 -5.364 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.605 -4.764 -11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.504 -5.432 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.516 -3.757 -10.195 1.00 0.00 H new ATOM 122 N ASN A 8 9.689 -2.665 -4.667 1.00 0.00 N ATOM 123 CA ASN A 8 9.579 -1.230 -4.916 1.00 0.00 C ATOM 124 C ASN A 8 10.627 -0.780 -5.932 1.00 0.00 C ATOM 125 O ASN A 8 11.246 -1.603 -6.604 1.00 0.00 O ATOM 126 CB ASN A 8 9.772 -0.469 -3.603 1.00 0.00 C ATOM 127 CG ASN A 8 10.927 -1.078 -2.815 1.00 0.00 C ATOM 128 OD1 ASN A 8 10.947 -1.006 -1.587 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.896 -1.677 -3.453 1.00 0.00 N ATOM 0 H ASN A 8 10.588 -2.958 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 8 8.590 -1.018 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.975 0.582 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.857 -0.508 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.672 -2.087 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.877 -1.735 -4.471 1.00 0.00 H new ATOM 136 N PHE A 9 10.817 0.533 -6.041 1.00 0.00 N ATOM 137 CA PHE A 9 11.790 1.081 -6.982 1.00 0.00 C ATOM 138 C PHE A 9 13.209 0.947 -6.433 1.00 0.00 C ATOM 139 O PHE A 9 14.176 1.335 -7.088 1.00 0.00 O ATOM 140 CB PHE A 9 11.478 2.559 -7.253 1.00 0.00 C ATOM 141 CG PHE A 9 10.603 2.681 -8.481 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.505 1.830 -8.646 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.894 3.646 -9.453 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.697 1.942 -9.783 1.00 0.00 C ATOM 145 CE2 PHE A 9 10.085 3.759 -10.590 1.00 0.00 C ATOM 146 CZ PHE A 9 8.986 2.907 -10.755 1.00 0.00 C ATOM 0 H PHE A 9 10.314 1.232 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 9 11.723 0.518 -7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.975 2.998 -6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.404 3.115 -7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.281 1.086 -7.896 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.742 4.303 -9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.850 1.284 -9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.309 4.503 -11.340 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.362 2.994 -11.632 1.00 0.00 H new ATOM 156 N LYS A 10 13.330 0.389 -5.233 1.00 0.00 N ATOM 157 CA LYS A 10 14.639 0.204 -4.615 1.00 0.00 C ATOM 158 C LYS A 10 15.185 -1.171 -4.973 1.00 0.00 C ATOM 159 O LYS A 10 16.267 -1.560 -4.532 1.00 0.00 O ATOM 160 CB LYS A 10 14.529 0.336 -3.094 1.00 0.00 C ATOM 161 CG LYS A 10 14.365 1.814 -2.715 1.00 0.00 C ATOM 162 CD LYS A 10 13.518 1.931 -1.441 1.00 0.00 C ATOM 163 CE LYS A 10 12.032 1.799 -1.793 1.00 0.00 C ATOM 164 NZ LYS A 10 11.419 3.155 -1.869 1.00 0.00 N ATOM 0 H LYS A 10 12.544 0.059 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 10 15.317 0.972 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.678 -0.240 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.419 -0.075 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.343 2.269 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.889 2.358 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.803 1.155 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.703 2.890 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.917 1.282 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.521 1.198 -1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.411 3.067 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.517 3.632 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.901 3.713 -2.602 1.00 0.00 H new ATOM 178 N LYS A 11 14.421 -1.898 -5.778 1.00 0.00 N ATOM 179 CA LYS A 11 14.815 -3.234 -6.207 1.00 0.00 C ATOM 180 C LYS A 11 14.901 -4.182 -5.016 1.00 0.00 C ATOM 181 O LYS A 11 15.629 -5.174 -5.052 1.00 0.00 O ATOM 182 CB LYS A 11 16.166 -3.183 -6.925 1.00 0.00 C ATOM 183 CG LYS A 11 16.162 -2.049 -7.954 1.00 0.00 C ATOM 184 CD LYS A 11 15.108 -2.329 -9.029 1.00 0.00 C ATOM 185 CE LYS A 11 15.401 -1.481 -10.268 1.00 0.00 C ATOM 186 NZ LYS A 11 16.594 -2.029 -10.975 1.00 0.00 N ATOM 0 H LYS A 11 13.524 -1.584 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 11 14.056 -3.606 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.967 -3.028 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.362 -4.135 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.950 -1.100 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.147 -1.958 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.113 -3.387 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.114 -2.100 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.538 -1.481 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.580 -0.445 -9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.572 -1.735 -11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.460 -1.667 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.584 -3.067 -10.920 1.00 0.00 H new ATOM 200 N GLU A 12 14.149 -3.873 -3.962 1.00 0.00 N ATOM 201 CA GLU A 12 14.140 -4.706 -2.761 1.00 0.00 C ATOM 202 C GLU A 12 12.774 -5.363 -2.585 1.00 0.00 C ATOM 203 O GLU A 12 11.741 -4.725 -2.783 1.00 0.00 O ATOM 204 CB GLU A 12 14.458 -3.856 -1.530 1.00 0.00 C ATOM 205 CG GLU A 12 15.825 -3.193 -1.705 1.00 0.00 C ATOM 206 CD GLU A 12 16.342 -2.698 -0.358 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.524 -2.383 0.489 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.550 -2.642 -0.194 1.00 0.00 O ATOM 0 H GLU A 12 13.540 -3.056 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 12 14.899 -5.481 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.689 -3.096 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.456 -4.478 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.530 -3.904 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.747 -2.359 -2.403 1.00 0.00 H new ATOM 215 N LYS A 13 12.778 -6.641 -2.217 1.00 0.00 N ATOM 216 CA LYS A 13 11.536 -7.379 -2.022 1.00 0.00 C ATOM 217 C LYS A 13 11.244 -7.556 -0.535 1.00 0.00 C ATOM 218 O LYS A 13 12.136 -7.867 0.254 1.00 0.00 O ATOM 219 CB LYS A 13 11.637 -8.755 -2.693 1.00 0.00 C ATOM 220 CG LYS A 13 13.100 -9.220 -2.714 1.00 0.00 C ATOM 221 CD LYS A 13 13.813 -8.656 -3.954 1.00 0.00 C ATOM 222 CE LYS A 13 13.715 -9.656 -5.109 1.00 0.00 C ATOM 223 NZ LYS A 13 12.369 -10.293 -5.104 1.00 0.00 N ATOM 0 H LYS A 13 13.624 -7.185 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 13 10.722 -6.812 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.024 -9.478 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.248 -8.703 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.609 -8.888 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.144 -10.309 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.362 -7.707 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.859 -8.455 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.885 -9.148 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.489 -10.417 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.291 -10.947 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.237 -10.819 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.637 -9.558 -5.183 1.00 0.00 H new ATOM 237 N VAL A 14 9.981 -7.362 -0.167 1.00 0.00 N ATOM 238 CA VAL A 14 9.556 -7.506 1.223 1.00 0.00 C ATOM 239 C VAL A 14 8.541 -8.643 1.336 1.00 0.00 C ATOM 240 O VAL A 14 7.338 -8.426 1.180 1.00 0.00 O ATOM 241 CB VAL A 14 8.923 -6.200 1.715 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.917 -6.173 3.244 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.732 -5.010 1.191 1.00 0.00 C ATOM 0 H VAL A 14 9.233 -7.105 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 14 10.426 -7.735 1.839 1.00 0.00 H new ATOM 0 HB VAL A 14 7.899 -6.137 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.466 -5.243 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.340 -7.018 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.940 -6.239 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.281 -4.081 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.756 -5.077 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.735 -5.024 0.101 1.00 0.00 H new ATOM 253 N PRO A 15 9.001 -9.844 1.587 1.00 0.00 N ATOM 254 CA PRO A 15 8.111 -11.037 1.707 1.00 0.00 C ATOM 255 C PRO A 15 6.972 -10.828 2.702 1.00 0.00 C ATOM 256 O PRO A 15 7.142 -10.182 3.736 1.00 0.00 O ATOM 257 CB PRO A 15 9.050 -12.152 2.180 1.00 0.00 C ATOM 258 CG PRO A 15 10.416 -11.727 1.753 1.00 0.00 C ATOM 259 CD PRO A 15 10.418 -10.199 1.778 1.00 0.00 C ATOM 0 HA PRO A 15 7.614 -11.260 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.998 -12.277 3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.779 -13.109 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.175 -12.128 2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.645 -12.100 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.803 -9.815 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.044 -9.787 0.987 1.00 0.00 H new ATOM 267 N LEU A 16 5.816 -11.394 2.375 1.00 0.00 N ATOM 268 CA LEU A 16 4.639 -11.288 3.232 1.00 0.00 C ATOM 269 C LEU A 16 3.780 -12.540 3.104 1.00 0.00 C ATOM 270 O LEU A 16 3.942 -13.323 2.172 1.00 0.00 O ATOM 271 CB LEU A 16 3.801 -10.068 2.831 1.00 0.00 C ATOM 272 CG LEU A 16 4.398 -8.795 3.433 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.635 -7.576 2.899 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.292 -8.835 4.967 1.00 0.00 C ATOM 0 H LEU A 16 5.668 -11.932 1.521 1.00 0.00 H new ATOM 0 HA LEU A 16 4.975 -11.179 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.766 -9.983 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.774 -10.194 3.174 1.00 0.00 H new ATOM 0 HG LEU A 16 5.449 -8.725 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.058 -6.667 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.720 -7.541 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.584 -7.654 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.720 -7.924 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.244 -8.910 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.837 -9.699 5.347 1.00 0.00 H new ATOM 286 N ASP A 17 2.855 -12.708 4.042 1.00 0.00 N ATOM 287 CA ASP A 17 1.951 -13.855 4.026 1.00 0.00 C ATOM 288 C ASP A 17 0.546 -13.408 4.405 1.00 0.00 C ATOM 289 O ASP A 17 0.355 -12.707 5.398 1.00 0.00 O ATOM 290 CB ASP A 17 2.421 -14.925 5.007 1.00 0.00 C ATOM 291 CG ASP A 17 3.874 -15.295 4.723 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.747 -14.572 5.175 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.091 -16.295 4.059 1.00 0.00 O ATOM 0 H ASP A 17 2.710 -12.067 4.822 1.00 0.00 H new ATOM 0 HA ASP A 17 1.946 -14.276 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.324 -14.560 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.789 -15.809 4.923 1.00 0.00 H new ATOM 298 N LEU A 18 -0.433 -13.812 3.605 1.00 0.00 N ATOM 299 CA LEU A 18 -1.821 -13.435 3.860 1.00 0.00 C ATOM 300 C LEU A 18 -2.766 -14.604 3.622 1.00 0.00 C ATOM 301 O LEU A 18 -2.335 -15.723 3.344 1.00 0.00 O ATOM 302 CB LEU A 18 -2.222 -12.284 2.936 1.00 0.00 C ATOM 303 CG LEU A 18 -1.479 -11.000 3.343 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.615 -10.512 2.178 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.499 -9.919 3.711 1.00 0.00 C ATOM 0 H LEU A 18 -0.295 -14.396 2.780 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.896 -13.130 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.987 -12.538 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.299 -12.123 2.988 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.840 -11.208 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.090 -9.602 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.111 -11.282 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.250 -10.304 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.975 -9.008 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.138 -9.714 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.111 -10.265 4.544 1.00 0.00 H new ATOM 317 N GLU A 19 -4.063 -14.325 3.729 1.00 0.00 N ATOM 318 CA GLU A 19 -5.086 -15.344 3.518 1.00 0.00 C ATOM 319 C GLU A 19 -6.065 -14.875 2.441 1.00 0.00 C ATOM 320 O GLU A 19 -6.252 -13.674 2.247 1.00 0.00 O ATOM 321 CB GLU A 19 -5.839 -15.609 4.833 1.00 0.00 C ATOM 322 CG GLU A 19 -5.018 -15.083 6.013 1.00 0.00 C ATOM 323 CD GLU A 19 -5.659 -15.514 7.328 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.687 -16.168 7.276 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.113 -15.184 8.367 1.00 0.00 O ATOM 0 H GLU A 19 -4.430 -13.402 3.961 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.610 -16.268 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.814 -15.122 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.020 -16.677 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.998 -15.462 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.957 -13.996 5.968 1.00 0.00 H new ATOM 332 N PRO A 20 -6.695 -15.785 1.744 1.00 0.00 N ATOM 333 CA PRO A 20 -7.673 -15.433 0.678 1.00 0.00 C ATOM 334 C PRO A 20 -8.711 -14.436 1.179 1.00 0.00 C ATOM 335 O PRO A 20 -9.272 -13.661 0.403 1.00 0.00 O ATOM 336 CB PRO A 20 -8.340 -16.769 0.307 1.00 0.00 C ATOM 337 CG PRO A 20 -7.823 -17.796 1.271 1.00 0.00 C ATOM 338 CD PRO A 20 -6.548 -17.234 1.894 1.00 0.00 C ATOM 0 HA PRO A 20 -7.188 -14.956 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.425 -16.690 0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.101 -17.048 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.565 -18.008 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.618 -18.736 0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.455 -17.520 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.658 -17.601 1.383 1.00 0.00 H new ATOM 346 N SER A 21 -8.963 -14.471 2.481 1.00 0.00 N ATOM 347 CA SER A 21 -9.942 -13.571 3.083 1.00 0.00 C ATOM 348 C SER A 21 -9.321 -12.211 3.376 1.00 0.00 C ATOM 349 O SER A 21 -10.009 -11.191 3.345 1.00 0.00 O ATOM 350 CB SER A 21 -10.486 -14.176 4.377 1.00 0.00 C ATOM 351 OG SER A 21 -9.399 -14.559 5.209 1.00 0.00 O ATOM 0 H SER A 21 -8.508 -15.106 3.137 1.00 0.00 H new ATOM 0 HA SER A 21 -10.759 -13.436 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.117 -13.452 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.110 -15.041 4.153 1.00 0.00 H new ATOM 0 HG SER A 21 -9.744 -14.946 6.041 1.00 0.00 H new ATOM 357 N ASN A 22 -8.019 -12.193 3.639 1.00 0.00 N ATOM 358 CA ASN A 22 -7.341 -10.941 3.906 1.00 0.00 C ATOM 359 C ASN A 22 -7.549 -10.022 2.716 1.00 0.00 C ATOM 360 O ASN A 22 -7.929 -10.479 1.637 1.00 0.00 O ATOM 361 CB ASN A 22 -5.842 -11.188 4.136 1.00 0.00 C ATOM 362 CG ASN A 22 -5.460 -10.828 5.569 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.886 -11.649 6.284 1.00 0.00 O ATOM 364 ND2 ASN A 22 -5.748 -9.643 6.032 1.00 0.00 N ATOM 0 H ASN A 22 -7.424 -13.021 3.672 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.748 -10.480 4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.605 -12.234 3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.257 -10.592 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.497 -9.395 6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.224 -8.965 5.437 1.00 0.00 H new ATOM 371 N THR A 23 -7.316 -8.735 2.901 1.00 0.00 N ATOM 372 CA THR A 23 -7.511 -7.798 1.806 1.00 0.00 C ATOM 373 C THR A 23 -6.492 -6.671 1.832 1.00 0.00 C ATOM 374 O THR A 23 -5.865 -6.387 2.852 1.00 0.00 O ATOM 375 CB THR A 23 -8.934 -7.226 1.849 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.893 -5.825 1.612 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.554 -7.494 3.219 1.00 0.00 C ATOM 0 H THR A 23 -6.999 -8.320 3.777 1.00 0.00 H new ATOM 0 HA THR A 23 -7.368 -8.346 0.875 1.00 0.00 H new ATOM 0 HB THR A 23 -9.538 -7.706 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.866 -5.657 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.565 -7.087 3.247 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.591 -8.569 3.398 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.950 -7.018 3.991 1.00 0.00 H new ATOM 385 N ILE A 24 -6.344 -6.043 0.676 1.00 0.00 N ATOM 386 CA ILE A 24 -5.420 -4.945 0.492 1.00 0.00 C ATOM 387 C ILE A 24 -5.357 -4.056 1.722 1.00 0.00 C ATOM 388 O ILE A 24 -4.287 -3.592 2.105 1.00 0.00 O ATOM 389 CB ILE A 24 -5.883 -4.127 -0.714 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.109 -5.040 -1.932 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.845 -3.068 -1.047 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.058 -6.150 -1.981 1.00 0.00 C ATOM 0 H ILE A 24 -6.868 -6.286 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.420 -5.346 0.327 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.827 -3.642 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.106 -5.479 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.065 -4.450 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.180 -2.488 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.714 -2.406 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.896 -3.550 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.238 -6.783 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.065 -5.707 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.122 -6.752 -1.074 1.00 0.00 H new ATOM 404 N LEU A 25 -6.498 -3.820 2.339 1.00 0.00 N ATOM 405 CA LEU A 25 -6.532 -2.985 3.524 1.00 0.00 C ATOM 406 C LEU A 25 -5.487 -3.468 4.517 1.00 0.00 C ATOM 407 O LEU A 25 -4.731 -2.676 5.077 1.00 0.00 O ATOM 408 CB LEU A 25 -7.929 -3.055 4.146 1.00 0.00 C ATOM 409 CG LEU A 25 -7.999 -2.249 5.453 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.288 -2.991 6.597 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.362 -0.865 5.258 1.00 0.00 C ATOM 0 H LEU A 25 -7.402 -4.189 2.045 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.310 -1.952 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.664 -2.670 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.190 -4.095 4.343 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.049 -2.129 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.352 -2.399 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.766 -3.957 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.241 -3.143 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.418 -0.304 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.318 -0.983 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.897 -0.325 4.477 1.00 0.00 H new ATOM 423 N GLU A 26 -5.463 -4.778 4.736 1.00 0.00 N ATOM 424 CA GLU A 26 -4.522 -5.374 5.680 1.00 0.00 C ATOM 425 C GLU A 26 -3.123 -5.532 5.084 1.00 0.00 C ATOM 426 O GLU A 26 -2.133 -5.304 5.779 1.00 0.00 O ATOM 427 CB GLU A 26 -5.037 -6.740 6.141 1.00 0.00 C ATOM 428 CG GLU A 26 -6.322 -6.558 6.953 1.00 0.00 C ATOM 429 CD GLU A 26 -6.617 -7.823 7.754 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.857 -8.115 8.663 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.597 -8.480 7.446 1.00 0.00 O ATOM 0 H GLU A 26 -6.081 -5.446 4.275 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.446 -4.695 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.228 -7.378 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.280 -7.240 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.219 -5.707 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.155 -6.337 6.286 1.00 0.00 H new ATOM 438 N THR A 27 -3.019 -5.911 3.809 1.00 0.00 N ATOM 439 CA THR A 27 -1.700 -6.063 3.214 1.00 0.00 C ATOM 440 C THR A 27 -0.995 -4.716 3.267 1.00 0.00 C ATOM 441 O THR A 27 0.187 -4.626 3.596 1.00 0.00 O ATOM 442 CB THR A 27 -1.825 -6.596 1.776 1.00 0.00 C ATOM 443 OG1 THR A 27 -1.023 -7.759 1.639 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.366 -5.546 0.766 1.00 0.00 C ATOM 0 H THR A 27 -3.805 -6.111 3.191 1.00 0.00 H new ATOM 0 HA THR A 27 -1.107 -6.790 3.769 1.00 0.00 H new ATOM 0 HB THR A 27 -2.871 -6.833 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.100 -8.104 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.463 -5.945 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.983 -4.653 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.324 -5.290 0.956 1.00 0.00 H new ATOM 452 N LYS A 28 -1.752 -3.670 2.967 1.00 0.00 N ATOM 453 CA LYS A 28 -1.224 -2.315 3.009 1.00 0.00 C ATOM 454 C LYS A 28 -0.738 -1.990 4.419 1.00 0.00 C ATOM 455 O LYS A 28 0.338 -1.420 4.598 1.00 0.00 O ATOM 456 CB LYS A 28 -2.312 -1.320 2.610 1.00 0.00 C ATOM 457 CG LYS A 28 -2.457 -1.285 1.084 1.00 0.00 C ATOM 458 CD LYS A 28 -3.030 0.070 0.670 1.00 0.00 C ATOM 459 CE LYS A 28 -3.509 0.023 -0.789 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.861 1.124 -1.556 1.00 0.00 N ATOM 0 H LYS A 28 -2.732 -3.734 2.692 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.390 -2.241 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.260 -1.603 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.062 -0.327 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.489 -1.445 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.112 -2.089 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.860 0.337 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.271 0.844 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.261 -0.941 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.593 0.124 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.183 1.095 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.119 2.039 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.828 1.007 -1.525 1.00 0.00 H new ATOM 474 N THR A 29 -1.539 -2.357 5.422 1.00 0.00 N ATOM 475 CA THR A 29 -1.172 -2.096 6.807 1.00 0.00 C ATOM 476 C THR A 29 0.124 -2.820 7.154 1.00 0.00 C ATOM 477 O THR A 29 1.123 -2.193 7.506 1.00 0.00 O ATOM 478 CB THR A 29 -2.295 -2.562 7.743 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.517 -2.611 7.023 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.434 -1.587 8.912 1.00 0.00 C ATOM 0 H THR A 29 -2.434 -2.830 5.299 1.00 0.00 H new ATOM 0 HA THR A 29 -1.022 -1.024 6.934 1.00 0.00 H new ATOM 0 HB THR A 29 -2.055 -3.553 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.239 -2.894 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.233 -1.923 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.496 -1.548 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.672 -0.594 8.531 1.00 0.00 H new ATOM 488 N LYS A 30 0.099 -4.144 7.047 1.00 0.00 N ATOM 489 CA LYS A 30 1.278 -4.943 7.347 1.00 0.00 C ATOM 490 C LYS A 30 2.487 -4.400 6.597 1.00 0.00 C ATOM 491 O LYS A 30 3.479 -4.002 7.206 1.00 0.00 O ATOM 492 CB LYS A 30 1.038 -6.401 6.947 1.00 0.00 C ATOM 493 CG LYS A 30 2.251 -7.253 7.339 1.00 0.00 C ATOM 494 CD LYS A 30 2.182 -7.610 8.827 1.00 0.00 C ATOM 495 CE LYS A 30 3.190 -8.722 9.130 1.00 0.00 C ATOM 496 NZ LYS A 30 4.405 -8.534 8.289 1.00 0.00 N ATOM 0 H LYS A 30 -0.718 -4.682 6.757 1.00 0.00 H new ATOM 0 HA LYS A 30 1.471 -4.891 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.142 -6.780 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.866 -6.469 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.276 -8.163 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.171 -6.708 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.400 -6.731 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.175 -7.936 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.460 -8.705 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.744 -9.696 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.228 -8.950 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.267 -9.002 7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.569 -7.518 8.139 1.00 0.00 H new ATOM 510 N LEU A 31 2.399 -4.386 5.270 1.00 0.00 N ATOM 511 CA LEU A 31 3.495 -3.888 4.453 1.00 0.00 C ATOM 512 C LEU A 31 4.058 -2.605 5.048 1.00 0.00 C ATOM 513 O LEU A 31 5.229 -2.280 4.856 1.00 0.00 O ATOM 514 CB LEU A 31 2.995 -3.615 3.033 1.00 0.00 C ATOM 515 CG LEU A 31 4.149 -3.112 2.160 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.233 -4.192 2.066 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.616 -2.787 0.760 1.00 0.00 C ATOM 0 H LEU A 31 1.588 -4.711 4.744 1.00 0.00 H new ATOM 0 HA LEU A 31 4.283 -4.641 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.574 -4.525 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.196 -2.874 3.056 1.00 0.00 H new ATOM 0 HG LEU A 31 4.580 -2.214 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.053 -3.832 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.607 -4.420 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.811 -5.094 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.433 -2.428 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.186 -3.685 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.849 -2.016 0.833 1.00 0.00 H new ATOM 529 N ALA A 32 3.213 -1.883 5.773 1.00 0.00 N ATOM 530 CA ALA A 32 3.631 -0.633 6.397 1.00 0.00 C ATOM 531 C ALA A 32 4.380 -0.914 7.698 1.00 0.00 C ATOM 532 O ALA A 32 5.372 -0.258 8.013 1.00 0.00 O ATOM 533 CB ALA A 32 2.406 0.249 6.672 1.00 0.00 C ATOM 0 H ALA A 32 2.240 -2.139 5.943 1.00 0.00 H new ATOM 0 HA ALA A 32 4.301 -0.107 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.726 1.181 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.898 0.469 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.723 -0.275 7.340 1.00 0.00 H new ATOM 539 N GLN A 33 3.889 -1.894 8.446 1.00 0.00 N ATOM 540 CA GLN A 33 4.506 -2.268 9.716 1.00 0.00 C ATOM 541 C GLN A 33 5.764 -3.094 9.480 1.00 0.00 C ATOM 542 O GLN A 33 6.576 -3.282 10.386 1.00 0.00 O ATOM 543 CB GLN A 33 3.516 -3.070 10.563 1.00 0.00 C ATOM 544 CG GLN A 33 2.395 -2.149 11.048 1.00 0.00 C ATOM 545 CD GLN A 33 1.438 -2.923 11.947 1.00 0.00 C ATOM 546 OE1 GLN A 33 0.371 -3.346 11.502 1.00 0.00 O ATOM 547 NE2 GLN A 33 1.756 -3.135 13.195 1.00 0.00 N ATOM 0 H GLN A 33 3.067 -2.444 8.197 1.00 0.00 H new ATOM 0 HA GLN A 33 4.780 -1.356 10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.100 -3.889 9.977 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.029 -3.516 11.415 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.817 -1.305 11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.855 -1.739 10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.640 -2.784 13.563 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.120 -3.652 13.803 1.00 0.00 H new ATOM 556 N SER A 34 5.918 -3.582 8.256 1.00 0.00 N ATOM 557 CA SER A 34 7.081 -4.386 7.904 1.00 0.00 C ATOM 558 C SER A 34 8.273 -3.476 7.678 1.00 0.00 C ATOM 559 O SER A 34 9.356 -3.700 8.219 1.00 0.00 O ATOM 560 CB SER A 34 6.800 -5.194 6.637 1.00 0.00 C ATOM 561 OG SER A 34 7.933 -5.996 6.331 1.00 0.00 O ATOM 0 H SER A 34 5.256 -3.436 7.494 1.00 0.00 H new ATOM 0 HA SER A 34 7.298 -5.076 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.922 -5.824 6.781 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.579 -4.524 5.806 1.00 0.00 H new ATOM 0 HG SER A 34 7.664 -6.731 5.741 1.00 0.00 H new ATOM 567 N ILE A 35 8.055 -2.432 6.889 1.00 0.00 N ATOM 568 CA ILE A 35 9.099 -1.470 6.609 1.00 0.00 C ATOM 569 C ILE A 35 9.051 -0.363 7.652 1.00 0.00 C ATOM 570 O ILE A 35 9.990 0.421 7.785 1.00 0.00 O ATOM 571 CB ILE A 35 8.909 -0.890 5.209 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.551 -0.186 5.123 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.967 -2.024 4.181 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.188 0.059 3.655 1.00 0.00 C ATOM 0 H ILE A 35 7.163 -2.235 6.434 1.00 0.00 H new ATOM 0 HA ILE A 35 10.072 -1.960 6.651 1.00 0.00 H new ATOM 0 HB ILE A 35 9.700 -0.169 5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.784 -0.796 5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.587 0.761 5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.832 -1.615 3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.935 -2.521 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.175 -2.744 4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.222 0.560 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.950 0.686 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.134 -0.894 3.130 1.00 0.00 H new ATOM 586 N SER A 36 7.946 -0.322 8.403 1.00 0.00 N ATOM 587 CA SER A 36 7.774 0.678 9.458 1.00 0.00 C ATOM 588 C SER A 36 7.183 1.972 8.906 1.00 0.00 C ATOM 589 O SER A 36 7.353 3.041 9.493 1.00 0.00 O ATOM 590 CB SER A 36 9.114 0.972 10.140 1.00 0.00 C ATOM 591 OG SER A 36 8.880 1.342 11.493 1.00 0.00 O ATOM 0 H SER A 36 7.162 -0.966 8.300 1.00 0.00 H new ATOM 0 HA SER A 36 7.079 0.268 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.758 0.093 10.097 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.634 1.774 9.616 1.00 0.00 H new ATOM 0 HG SER A 36 9.735 1.529 11.933 1.00 0.00 H new ATOM 597 N CYS A 37 6.476 1.867 7.788 1.00 0.00 N ATOM 598 CA CYS A 37 5.843 3.032 7.176 1.00 0.00 C ATOM 599 C CYS A 37 4.334 2.918 7.324 1.00 0.00 C ATOM 600 O CYS A 37 3.843 1.979 7.949 1.00 0.00 O ATOM 601 CB CYS A 37 6.215 3.125 5.695 1.00 0.00 C ATOM 602 SG CYS A 37 5.744 4.752 5.054 1.00 0.00 S ATOM 0 H CYS A 37 6.326 0.991 7.287 1.00 0.00 H new ATOM 0 HA CYS A 37 6.194 3.934 7.678 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.286 2.969 5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.709 2.340 5.132 1.00 0.00 H new ATOM 0 HG CYS A 37 4.571 4.677 4.499 1.00 0.00 H new ATOM 608 N GLU A 38 3.598 3.868 6.759 1.00 0.00 N ATOM 609 CA GLU A 38 2.142 3.840 6.846 1.00 0.00 C ATOM 610 C GLU A 38 1.533 3.494 5.487 1.00 0.00 C ATOM 611 O GLU A 38 2.180 3.630 4.448 1.00 0.00 O ATOM 612 CB GLU A 38 1.616 5.194 7.334 1.00 0.00 C ATOM 613 CG GLU A 38 1.559 6.175 6.165 1.00 0.00 C ATOM 614 CD GLU A 38 1.393 7.598 6.686 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.323 7.905 7.184 1.00 0.00 O ATOM 616 OE2 GLU A 38 2.339 8.361 6.577 1.00 0.00 O ATOM 0 H GLU A 38 3.980 4.659 6.241 1.00 0.00 H new ATOM 0 HA GLU A 38 1.851 3.071 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.624 5.074 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.264 5.585 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.470 6.100 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.728 5.921 5.506 1.00 0.00 H new ATOM 623 N GLU A 39 0.288 3.037 5.513 1.00 0.00 N ATOM 624 CA GLU A 39 -0.419 2.658 4.289 1.00 0.00 C ATOM 625 C GLU A 39 -0.919 3.888 3.539 1.00 0.00 C ATOM 626 O GLU A 39 -1.239 3.825 2.352 1.00 0.00 O ATOM 627 CB GLU A 39 -1.611 1.747 4.616 1.00 0.00 C ATOM 628 CG GLU A 39 -2.400 2.292 5.813 1.00 0.00 C ATOM 629 CD GLU A 39 -2.957 3.675 5.493 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.668 3.792 4.508 1.00 0.00 O ATOM 631 OE2 GLU A 39 -2.666 4.596 6.237 1.00 0.00 O ATOM 0 H GLU A 39 -0.257 2.918 6.367 1.00 0.00 H new ATOM 0 HA GLU A 39 0.287 2.121 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.265 1.671 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.256 0.740 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.215 1.612 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.754 2.346 6.689 1.00 0.00 H new ATOM 638 N SER A 40 -1.024 4.989 4.262 1.00 0.00 N ATOM 639 CA SER A 40 -1.538 6.240 3.701 1.00 0.00 C ATOM 640 C SER A 40 -0.727 6.758 2.509 1.00 0.00 C ATOM 641 O SER A 40 -1.187 7.656 1.804 1.00 0.00 O ATOM 642 CB SER A 40 -1.574 7.313 4.789 1.00 0.00 C ATOM 643 OG SER A 40 -0.346 8.029 4.782 1.00 0.00 O ATOM 0 H SER A 40 -0.760 5.049 5.245 1.00 0.00 H new ATOM 0 HA SER A 40 -2.540 6.023 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.407 7.995 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.735 6.853 5.764 1.00 0.00 H new ATOM 0 HG SER A 40 -0.275 8.565 5.599 1.00 0.00 H new ATOM 649 N GLN A 41 0.466 6.217 2.278 1.00 0.00 N ATOM 650 CA GLN A 41 1.286 6.680 1.158 1.00 0.00 C ATOM 651 C GLN A 41 1.597 5.522 0.224 1.00 0.00 C ATOM 652 O GLN A 41 1.875 5.712 -0.960 1.00 0.00 O ATOM 653 CB GLN A 41 2.592 7.294 1.680 1.00 0.00 C ATOM 654 CG GLN A 41 2.807 6.872 3.128 1.00 0.00 C ATOM 655 CD GLN A 41 4.064 7.528 3.688 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.040 8.078 4.788 1.00 0.00 O ATOM 657 NE2 GLN A 41 5.168 7.503 2.993 1.00 0.00 N ATOM 0 H GLN A 41 0.882 5.472 2.838 1.00 0.00 H new ATOM 0 HA GLN A 41 0.731 7.440 0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.431 6.967 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.550 8.381 1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.942 7.155 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.897 5.787 3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.186 7.047 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.013 7.940 3.362 1.00 0.00 H new ATOM 666 N ILE A 42 1.555 4.326 0.781 1.00 0.00 N ATOM 667 CA ILE A 42 1.836 3.123 0.033 1.00 0.00 C ATOM 668 C ILE A 42 0.805 2.896 -1.068 1.00 0.00 C ATOM 669 O ILE A 42 -0.376 3.209 -0.915 1.00 0.00 O ATOM 670 CB ILE A 42 1.846 1.951 1.020 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.280 1.504 1.275 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.026 0.776 0.494 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.302 0.611 2.509 1.00 0.00 C ATOM 0 H ILE A 42 1.326 4.165 1.762 1.00 0.00 H new ATOM 0 HA ILE A 42 2.804 3.213 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 42 1.395 2.290 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.667 0.964 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.925 2.370 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.053 -0.039 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.006 1.092 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.445 0.435 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.323 0.284 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.930 1.169 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.668 -0.259 2.340 1.00 0.00 H new ATOM 685 N LYS A 43 1.276 2.322 -2.166 1.00 0.00 N ATOM 686 CA LYS A 43 0.423 2.007 -3.306 1.00 0.00 C ATOM 687 C LYS A 43 0.685 0.569 -3.736 1.00 0.00 C ATOM 688 O LYS A 43 1.818 0.207 -4.050 1.00 0.00 O ATOM 689 CB LYS A 43 0.716 2.956 -4.472 1.00 0.00 C ATOM 690 CG LYS A 43 0.670 4.409 -3.986 1.00 0.00 C ATOM 691 CD LYS A 43 -0.782 4.823 -3.724 1.00 0.00 C ATOM 692 CE LYS A 43 -0.855 6.341 -3.536 1.00 0.00 C ATOM 693 NZ LYS A 43 -2.117 6.690 -2.825 1.00 0.00 N ATOM 0 H LYS A 43 2.254 2.062 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.621 2.126 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.696 2.735 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.015 2.806 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.258 4.516 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.116 5.066 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.414 4.518 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.161 4.317 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.006 6.690 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.819 6.841 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.169 7.721 -2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.932 6.370 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.132 6.224 -1.896 1.00 0.00 H new ATOM 707 N LEU A 44 -0.358 -0.255 -3.727 1.00 0.00 N ATOM 708 CA LEU A 44 -0.204 -1.659 -4.100 1.00 0.00 C ATOM 709 C LEU A 44 -0.537 -1.875 -5.573 1.00 0.00 C ATOM 710 O LEU A 44 -1.695 -1.792 -5.980 1.00 0.00 O ATOM 711 CB LEU A 44 -1.120 -2.530 -3.224 1.00 0.00 C ATOM 712 CG LEU A 44 -0.280 -3.439 -2.315 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.598 -4.364 -3.176 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.603 -2.578 -1.391 1.00 0.00 C ATOM 0 H LEU A 44 -1.306 0.018 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 44 0.836 -1.945 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.766 -1.895 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.770 -3.136 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.943 -4.050 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.193 -5.008 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.037 -4.979 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.261 -3.762 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.197 -3.227 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.267 -1.959 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.030 -1.938 -0.776 1.00 0.00 H new ATOM 726 N ILE A 45 0.498 -2.139 -6.367 1.00 0.00 N ATOM 727 CA ILE A 45 0.336 -2.352 -7.798 1.00 0.00 C ATOM 728 C ILE A 45 0.306 -3.840 -8.118 1.00 0.00 C ATOM 729 O ILE A 45 1.167 -4.603 -7.678 1.00 0.00 O ATOM 730 CB ILE A 45 1.519 -1.724 -8.546 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.580 -0.194 -8.360 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.399 -2.036 -10.038 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.760 0.269 -7.165 1.00 0.00 C ATOM 0 H ILE A 45 1.461 -2.210 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.603 -1.893 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 45 2.432 -2.151 -8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.617 0.114 -8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.214 0.296 -9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.239 -1.591 -10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.407 -3.116 -10.186 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.466 -1.624 -10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.832 1.353 -7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.283 -0.015 -7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.143 -0.199 -6.258 1.00 0.00 H new ATOM 745 N TYR A 46 -0.681 -4.236 -8.911 1.00 0.00 N ATOM 746 CA TYR A 46 -0.822 -5.623 -9.325 1.00 0.00 C ATOM 747 C TYR A 46 -0.889 -5.675 -10.842 1.00 0.00 C ATOM 748 O TYR A 46 -1.880 -5.266 -11.446 1.00 0.00 O ATOM 749 CB TYR A 46 -2.095 -6.223 -8.722 1.00 0.00 C ATOM 750 CG TYR A 46 -2.200 -7.694 -9.067 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.211 -8.593 -8.641 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.295 -8.163 -9.805 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.319 -9.953 -8.954 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.401 -9.523 -10.117 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.413 -10.419 -9.691 1.00 0.00 C ATOM 756 OH TYR A 46 -2.519 -11.759 -9.998 1.00 0.00 O ATOM 0 H TYR A 46 -1.398 -3.612 -9.281 1.00 0.00 H new ATOM 0 HA TYR A 46 0.032 -6.202 -8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.087 -6.097 -7.639 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.969 -5.691 -9.098 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.366 -8.236 -8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.059 -7.474 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.556 -10.644 -8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.245 -9.882 -10.687 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.338 -11.913 -10.513 1.00 0.00 H new ATOM 766 N SER A 47 0.180 -6.163 -11.451 1.00 0.00 N ATOM 767 CA SER A 47 0.243 -6.247 -12.901 1.00 0.00 C ATOM 768 C SER A 47 0.230 -4.853 -13.518 1.00 0.00 C ATOM 769 O SER A 47 -0.236 -4.670 -14.642 1.00 0.00 O ATOM 770 CB SER A 47 -0.934 -7.063 -13.434 1.00 0.00 C ATOM 771 OG SER A 47 -0.620 -7.546 -14.735 1.00 0.00 O ATOM 0 H SER A 47 1.011 -6.505 -10.968 1.00 0.00 H new ATOM 0 HA SER A 47 1.174 -6.743 -13.177 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.146 -7.897 -12.765 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.832 -6.447 -13.469 1.00 0.00 H new ATOM 0 HG SER A 47 -0.347 -6.797 -15.305 1.00 0.00 H new ATOM 777 N GLY A 48 0.746 -3.872 -12.780 1.00 0.00 N ATOM 778 CA GLY A 48 0.783 -2.504 -13.281 1.00 0.00 C ATOM 779 C GLY A 48 -0.557 -1.817 -13.059 1.00 0.00 C ATOM 780 O GLY A 48 -0.945 -0.934 -13.823 1.00 0.00 O ATOM 0 H GLY A 48 1.138 -3.998 -11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.572 -1.947 -12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.025 -2.506 -14.344 1.00 0.00 H new ATOM 784 N LYS A 49 -1.265 -2.233 -12.012 1.00 0.00 N ATOM 785 CA LYS A 49 -2.569 -1.648 -11.707 1.00 0.00 C ATOM 786 C LYS A 49 -2.700 -1.384 -10.213 1.00 0.00 C ATOM 787 O LYS A 49 -2.496 -2.278 -9.393 1.00 0.00 O ATOM 788 CB LYS A 49 -3.684 -2.593 -12.165 1.00 0.00 C ATOM 789 CG LYS A 49 -5.061 -2.009 -11.806 1.00 0.00 C ATOM 790 CD LYS A 49 -5.273 -0.647 -12.485 1.00 0.00 C ATOM 791 CE LYS A 49 -4.982 -0.749 -13.985 1.00 0.00 C ATOM 792 NZ LYS A 49 -5.522 -2.035 -14.512 1.00 0.00 N ATOM 0 H LYS A 49 -0.963 -2.964 -11.367 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.657 -0.700 -12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.618 -2.750 -13.242 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.561 -3.568 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.845 -2.700 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.142 -1.897 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.298 -0.311 -12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.620 0.099 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.435 0.091 -14.512 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.908 -0.694 -14.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.668 -1.956 -15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.847 -2.801 -14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.429 -2.246 -14.049 1.00 0.00 H new ATOM 806 N VAL A 50 -3.042 -0.152 -9.867 1.00 0.00 N ATOM 807 CA VAL A 50 -3.195 0.217 -8.466 1.00 0.00 C ATOM 808 C VAL A 50 -4.382 -0.516 -7.841 1.00 0.00 C ATOM 809 O VAL A 50 -5.533 -0.125 -8.030 1.00 0.00 O ATOM 810 CB VAL A 50 -3.390 1.733 -8.342 1.00 0.00 C ATOM 811 CG1 VAL A 50 -4.582 2.182 -9.198 1.00 0.00 C ATOM 812 CG2 VAL A 50 -3.648 2.093 -6.876 1.00 0.00 C ATOM 0 H VAL A 50 -3.218 0.604 -10.529 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.290 -0.073 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.491 2.240 -8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.712 3.260 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.396 1.929 -10.242 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.485 1.676 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.787 3.170 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.545 1.581 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.796 1.785 -6.270 1.00 0.00 H new ATOM 822 N LEU A 51 -4.094 -1.581 -7.099 1.00 0.00 N ATOM 823 CA LEU A 51 -5.142 -2.359 -6.454 1.00 0.00 C ATOM 824 C LEU A 51 -6.085 -1.451 -5.677 1.00 0.00 C ATOM 825 O LEU A 51 -5.822 -0.261 -5.501 1.00 0.00 O ATOM 826 CB LEU A 51 -4.526 -3.371 -5.487 1.00 0.00 C ATOM 827 CG LEU A 51 -3.807 -4.481 -6.264 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.814 -5.194 -5.333 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.831 -5.494 -6.794 1.00 0.00 C ATOM 0 H LEU A 51 -3.148 -1.922 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.701 -2.880 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.823 -2.868 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.304 -3.803 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.270 -4.042 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.302 -5.983 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.082 -4.476 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.353 -5.629 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.314 -6.280 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.374 -5.934 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.534 -4.988 -7.457 1.00 0.00 H new ATOM 841 N GLN A 52 -7.182 -2.032 -5.209 1.00 0.00 N ATOM 842 CA GLN A 52 -8.172 -1.290 -4.438 1.00 0.00 C ATOM 843 C GLN A 52 -8.091 -1.683 -2.965 1.00 0.00 C ATOM 844 O GLN A 52 -7.593 -2.756 -2.625 1.00 0.00 O ATOM 845 CB GLN A 52 -9.582 -1.569 -4.973 1.00 0.00 C ATOM 846 CG GLN A 52 -9.497 -2.026 -6.431 1.00 0.00 C ATOM 847 CD GLN A 52 -10.898 -2.192 -7.008 1.00 0.00 C ATOM 848 OE1 GLN A 52 -11.104 -2.000 -8.207 1.00 0.00 O ATOM 849 NE2 GLN A 52 -11.880 -2.542 -6.223 1.00 0.00 N ATOM 0 H GLN A 52 -7.409 -3.016 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.962 -0.225 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.066 -2.336 -4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.195 -0.671 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.937 -1.297 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.955 -2.969 -6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.708 -2.701 -5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.820 -2.657 -6.602 1.00 0.00 H new ATOM 858 N ASP A 53 -8.574 -0.804 -2.100 1.00 0.00 N ATOM 859 CA ASP A 53 -8.546 -1.056 -0.664 1.00 0.00 C ATOM 860 C ASP A 53 -9.694 -1.967 -0.235 1.00 0.00 C ATOM 861 O ASP A 53 -9.711 -2.466 0.890 1.00 0.00 O ATOM 862 CB ASP A 53 -8.663 0.267 0.084 1.00 0.00 C ATOM 863 CG ASP A 53 -7.471 1.161 -0.243 1.00 0.00 C ATOM 864 OD1 ASP A 53 -7.380 1.602 -1.378 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.667 1.391 0.645 1.00 0.00 O ATOM 0 H ASP A 53 -8.990 0.089 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.604 -1.550 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.590 0.769 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.707 0.084 1.158 1.00 0.00 H new ATOM 870 N SER A 54 -10.665 -2.153 -1.121 1.00 0.00 N ATOM 871 CA SER A 54 -11.833 -2.976 -0.803 1.00 0.00 C ATOM 872 C SER A 54 -11.787 -4.343 -1.486 1.00 0.00 C ATOM 873 O SER A 54 -12.796 -5.049 -1.516 1.00 0.00 O ATOM 874 CB SER A 54 -13.105 -2.246 -1.231 1.00 0.00 C ATOM 875 OG SER A 54 -13.256 -1.069 -0.450 1.00 0.00 O ATOM 0 H SER A 54 -10.671 -1.751 -2.058 1.00 0.00 H new ATOM 0 HA SER A 54 -11.828 -3.142 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.053 -1.990 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.971 -2.895 -1.103 1.00 0.00 H new ATOM 0 HG SER A 54 -14.070 -0.597 -0.723 1.00 0.00 H new ATOM 881 N LYS A 55 -10.635 -4.727 -2.035 1.00 0.00 N ATOM 882 CA LYS A 55 -10.530 -6.020 -2.705 1.00 0.00 C ATOM 883 C LYS A 55 -9.743 -7.009 -1.856 1.00 0.00 C ATOM 884 O LYS A 55 -8.854 -6.624 -1.099 1.00 0.00 O ATOM 885 CB LYS A 55 -9.846 -5.850 -4.062 1.00 0.00 C ATOM 886 CG LYS A 55 -10.798 -5.126 -5.021 1.00 0.00 C ATOM 887 CD LYS A 55 -11.944 -6.064 -5.444 1.00 0.00 C ATOM 888 CE LYS A 55 -12.021 -6.135 -6.972 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.180 -6.982 -7.372 1.00 0.00 N ATOM 0 H LYS A 55 -9.778 -4.173 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.537 -6.412 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.923 -5.281 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.572 -6.823 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.205 -4.237 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.251 -4.788 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.781 -7.060 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.890 -5.703 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.128 -5.133 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.097 -6.550 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.913 -7.575 -8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.457 -7.590 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.980 -6.373 -7.637 1.00 0.00 H new ATOM 903 N THR A 56 -10.073 -8.290 -1.994 1.00 0.00 N ATOM 904 CA THR A 56 -9.382 -9.331 -1.242 1.00 0.00 C ATOM 905 C THR A 56 -8.409 -10.068 -2.145 1.00 0.00 C ATOM 906 O THR A 56 -8.613 -10.158 -3.354 1.00 0.00 O ATOM 907 CB THR A 56 -10.380 -10.319 -0.639 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.229 -10.826 -1.658 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.213 -9.617 0.427 1.00 0.00 C ATOM 0 H THR A 56 -10.808 -8.630 -2.614 1.00 0.00 H new ATOM 0 HA THR A 56 -8.831 -8.857 -0.430 1.00 0.00 H new ATOM 0 HB THR A 56 -9.837 -11.147 -0.183 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.866 -11.460 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.924 -10.323 0.856 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.557 -9.240 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.754 -8.785 -0.024 1.00 0.00 H new ATOM 917 N VAL A 57 -7.347 -10.587 -1.548 1.00 0.00 N ATOM 918 CA VAL A 57 -6.338 -11.312 -2.317 1.00 0.00 C ATOM 919 C VAL A 57 -7.017 -12.248 -3.311 1.00 0.00 C ATOM 920 O VAL A 57 -6.568 -12.400 -4.447 1.00 0.00 O ATOM 921 CB VAL A 57 -5.416 -12.110 -1.375 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.056 -13.467 -1.996 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.128 -11.315 -1.132 1.00 0.00 C ATOM 0 H VAL A 57 -7.159 -10.523 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.730 -10.593 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.939 -12.278 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.404 -14.017 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.966 -14.041 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.541 -13.308 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.474 -11.877 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.620 -11.146 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.373 -10.356 -0.676 1.00 0.00 H new ATOM 933 N SER A 58 -8.103 -12.868 -2.872 1.00 0.00 N ATOM 934 CA SER A 58 -8.843 -13.783 -3.726 1.00 0.00 C ATOM 935 C SER A 58 -9.379 -13.039 -4.941 1.00 0.00 C ATOM 936 O SER A 58 -9.444 -13.586 -6.042 1.00 0.00 O ATOM 937 CB SER A 58 -10.001 -14.387 -2.942 1.00 0.00 C ATOM 938 OG SER A 58 -10.508 -15.517 -3.640 1.00 0.00 O ATOM 0 H SER A 58 -8.489 -12.755 -1.935 1.00 0.00 H new ATOM 0 HA SER A 58 -8.178 -14.579 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.666 -14.681 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.789 -13.646 -2.807 1.00 0.00 H new ATOM 0 HG SER A 58 -11.252 -15.907 -3.135 1.00 0.00 H new ATOM 944 N GLU A 59 -9.754 -11.785 -4.727 1.00 0.00 N ATOM 945 CA GLU A 59 -10.278 -10.956 -5.802 1.00 0.00 C ATOM 946 C GLU A 59 -9.133 -10.319 -6.577 1.00 0.00 C ATOM 947 O GLU A 59 -9.217 -10.132 -7.791 1.00 0.00 O ATOM 948 CB GLU A 59 -11.182 -9.868 -5.224 1.00 0.00 C ATOM 949 CG GLU A 59 -12.505 -10.488 -4.770 1.00 0.00 C ATOM 950 CD GLU A 59 -13.456 -9.395 -4.294 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.308 -8.961 -3.164 1.00 0.00 O ATOM 952 OE2 GLU A 59 -14.316 -9.009 -5.066 1.00 0.00 O ATOM 0 H GLU A 59 -9.705 -11.321 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.859 -11.581 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.689 -9.381 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.367 -9.099 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.957 -11.043 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.325 -11.201 -3.965 1.00 0.00 H new ATOM 959 N CYS A 60 -8.056 -9.991 -5.867 1.00 0.00 N ATOM 960 CA CYS A 60 -6.896 -9.380 -6.502 1.00 0.00 C ATOM 961 C CYS A 60 -6.275 -10.346 -7.507 1.00 0.00 C ATOM 962 O CYS A 60 -5.669 -9.928 -8.493 1.00 0.00 O ATOM 963 CB CYS A 60 -5.865 -9.002 -5.438 1.00 0.00 C ATOM 964 SG CYS A 60 -6.723 -8.359 -3.981 1.00 0.00 S ATOM 0 H CYS A 60 -7.964 -10.137 -4.862 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.214 -8.481 -7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.267 -9.873 -5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.178 -8.253 -5.830 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.958 -8.765 -3.990 1.00 0.00 H new ATOM 970 N GLY A 61 -6.444 -11.642 -7.255 1.00 0.00 N ATOM 971 CA GLY A 61 -5.910 -12.664 -8.149 1.00 0.00 C ATOM 972 C GLY A 61 -4.580 -13.213 -7.643 1.00 0.00 C ATOM 973 O GLY A 61 -3.969 -14.065 -8.289 1.00 0.00 O ATOM 0 H GLY A 61 -6.944 -12.007 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.629 -13.478 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.775 -12.242 -9.145 1.00 0.00 H new ATOM 977 N LEU A 62 -4.130 -12.725 -6.492 1.00 0.00 N ATOM 978 CA LEU A 62 -2.869 -13.185 -5.930 1.00 0.00 C ATOM 979 C LEU A 62 -2.970 -14.636 -5.494 1.00 0.00 C ATOM 980 O LEU A 62 -4.032 -15.106 -5.087 1.00 0.00 O ATOM 981 CB LEU A 62 -2.478 -12.322 -4.730 1.00 0.00 C ATOM 982 CG LEU A 62 -2.036 -10.942 -5.211 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.200 -9.928 -4.078 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.567 -10.994 -5.644 1.00 0.00 C ATOM 0 H LEU A 62 -4.614 -12.019 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.105 -13.100 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.323 -12.227 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.671 -12.800 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.652 -10.641 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.884 -8.943 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.246 -9.888 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.587 -10.229 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.254 -10.008 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.051 -11.298 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.452 -11.714 -6.455 1.00 0.00 H new ATOM 996 N LYS A 63 -1.847 -15.333 -5.578 1.00 0.00 N ATOM 997 CA LYS A 63 -1.790 -16.736 -5.188 1.00 0.00 C ATOM 998 C LYS A 63 -0.653 -16.966 -4.195 1.00 0.00 C ATOM 999 O LYS A 63 -0.186 -16.027 -3.550 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.618 -17.619 -6.430 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.386 -17.178 -7.226 1.00 0.00 C ATOM 1002 CD LYS A 63 0.884 -17.737 -6.578 1.00 0.00 C ATOM 1003 CE LYS A 63 2.007 -17.796 -7.616 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.296 -18.114 -6.937 1.00 0.00 N ATOM 0 H LYS A 63 -0.962 -14.951 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.726 -17.006 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.513 -18.662 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.507 -17.555 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.463 -17.528 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.337 -16.090 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.183 -17.109 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.692 -18.733 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.783 -18.553 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.084 -16.842 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.945 -17.306 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.120 -18.305 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.724 -18.953 -7.379 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.225 -18.214 -4.063 1.00 0.00 N ATOM 1019 CA ASP A 64 0.845 -18.553 -3.131 1.00 0.00 C ATOM 1020 C ASP A 64 2.222 -18.345 -3.753 1.00 0.00 C ATOM 1021 O ASP A 64 2.546 -18.929 -4.786 1.00 0.00 O ATOM 1022 CB ASP A 64 0.704 -20.010 -2.688 1.00 0.00 C ATOM 1023 CG ASP A 64 0.938 -20.942 -3.871 1.00 0.00 C ATOM 1024 OD1 ASP A 64 0.327 -20.721 -4.904 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.725 -21.864 -3.729 1.00 0.00 O ATOM 0 H ASP A 64 -0.599 -19.006 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 64 0.757 -17.889 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.420 -20.228 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.290 -20.178 -2.274 1.00 0.00 H new ATOM 1030 N GLY A 65 3.033 -17.529 -3.090 1.00 0.00 N ATOM 1031 CA GLY A 65 4.395 -17.266 -3.556 1.00 0.00 C ATOM 1032 C GLY A 65 4.456 -16.227 -4.681 1.00 0.00 C ATOM 1033 O GLY A 65 5.526 -15.984 -5.238 1.00 0.00 O ATOM 0 H GLY A 65 2.776 -17.039 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.999 -16.920 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.839 -18.198 -3.906 1.00 0.00 H new ATOM 1037 N ASP A 66 3.323 -15.618 -5.025 1.00 0.00 N ATOM 1038 CA ASP A 66 3.318 -14.619 -6.098 1.00 0.00 C ATOM 1039 C ASP A 66 4.116 -13.381 -5.685 1.00 0.00 C ATOM 1040 O ASP A 66 4.870 -13.407 -4.712 1.00 0.00 O ATOM 1041 CB ASP A 66 1.877 -14.208 -6.450 1.00 0.00 C ATOM 1042 CG ASP A 66 1.670 -14.217 -7.965 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.654 -14.134 -8.681 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.527 -14.301 -8.386 1.00 0.00 O ATOM 0 H ASP A 66 2.416 -15.791 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 66 3.784 -15.067 -6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.172 -14.892 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.670 -13.213 -6.055 1.00 0.00 H new ATOM 1049 N GLN A 67 3.936 -12.297 -6.433 1.00 0.00 N ATOM 1050 CA GLN A 67 4.632 -11.049 -6.145 1.00 0.00 C ATOM 1051 C GLN A 67 3.727 -9.863 -6.458 1.00 0.00 C ATOM 1052 O GLN A 67 2.995 -9.878 -7.448 1.00 0.00 O ATOM 1053 CB GLN A 67 5.914 -10.959 -6.977 1.00 0.00 C ATOM 1054 CG GLN A 67 5.567 -10.647 -8.435 1.00 0.00 C ATOM 1055 CD GLN A 67 6.778 -10.902 -9.325 1.00 0.00 C ATOM 1056 OE1 GLN A 67 7.901 -10.550 -8.963 1.00 0.00 O ATOM 1057 NE2 GLN A 67 6.618 -11.497 -10.475 1.00 0.00 N ATOM 0 H GLN A 67 3.315 -12.258 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 67 4.893 -11.027 -5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.565 -10.183 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.463 -11.899 -6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.730 -11.266 -8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.249 -9.608 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.687 -11.788 -10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.424 -11.671 -11.076 1.00 0.00 H new ATOM 1066 N VAL A 68 3.771 -8.842 -5.607 1.00 0.00 N ATOM 1067 CA VAL A 68 2.941 -7.661 -5.804 1.00 0.00 C ATOM 1068 C VAL A 68 3.803 -6.407 -5.894 1.00 0.00 C ATOM 1069 O VAL A 68 4.535 -6.076 -4.963 1.00 0.00 O ATOM 1070 CB VAL A 68 1.951 -7.527 -4.636 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.587 -7.060 -5.156 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.790 -8.883 -3.943 1.00 0.00 C ATOM 0 H VAL A 68 4.368 -8.809 -4.781 1.00 0.00 H new ATOM 0 HA VAL A 68 2.392 -7.772 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 68 2.336 -6.794 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.108 -6.968 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.696 -6.092 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.202 -7.787 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.088 -8.787 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.411 -9.614 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.756 -9.214 -3.563 1.00 0.00 H new ATOM 1082 N VAL A 69 3.702 -5.702 -7.011 1.00 0.00 N ATOM 1083 CA VAL A 69 4.465 -4.483 -7.188 1.00 0.00 C ATOM 1084 C VAL A 69 3.859 -3.390 -6.328 1.00 0.00 C ATOM 1085 O VAL A 69 2.644 -3.326 -6.170 1.00 0.00 O ATOM 1086 CB VAL A 69 4.451 -4.057 -8.657 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.266 -2.775 -8.827 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.064 -5.167 -9.514 1.00 0.00 C ATOM 0 H VAL A 69 3.105 -5.952 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 69 5.498 -4.657 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 69 3.423 -3.877 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.255 -2.473 -9.874 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.831 -1.984 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.294 -2.953 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.055 -4.865 -10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.091 -5.346 -9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.483 -6.081 -9.395 1.00 0.00 H new ATOM 1098 N PHE A 70 4.703 -2.542 -5.761 1.00 0.00 N ATOM 1099 CA PHE A 70 4.213 -1.462 -4.909 1.00 0.00 C ATOM 1100 C PHE A 70 5.208 -0.306 -4.856 1.00 0.00 C ATOM 1101 O PHE A 70 6.316 -0.399 -5.382 1.00 0.00 O ATOM 1102 CB PHE A 70 3.951 -1.988 -3.492 1.00 0.00 C ATOM 1103 CG PHE A 70 5.222 -1.931 -2.676 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.240 -2.863 -2.897 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.379 -0.941 -1.698 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.417 -2.808 -2.140 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.554 -0.884 -0.942 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.573 -1.818 -1.163 1.00 0.00 C ATOM 0 H PHE A 70 5.717 -2.576 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 70 3.281 -1.091 -5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.174 -1.393 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.584 -3.013 -3.538 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.119 -3.626 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.592 -0.221 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.203 -3.529 -2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.675 -0.120 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.480 -1.775 -0.579 1.00 0.00 H new ATOM 1118 N MET A 71 4.796 0.781 -4.210 1.00 0.00 N ATOM 1119 CA MET A 71 5.647 1.959 -4.081 1.00 0.00 C ATOM 1120 C MET A 71 5.199 2.813 -2.897 1.00 0.00 C ATOM 1121 O MET A 71 4.016 2.845 -2.557 1.00 0.00 O ATOM 1122 CB MET A 71 5.585 2.797 -5.362 1.00 0.00 C ATOM 1123 CG MET A 71 6.284 2.056 -6.505 1.00 0.00 C ATOM 1124 SD MET A 71 6.642 3.216 -7.849 1.00 0.00 S ATOM 1125 CE MET A 71 7.896 4.202 -6.989 1.00 0.00 C ATOM 0 H MET A 71 3.881 0.870 -3.769 1.00 0.00 H new ATOM 0 HA MET A 71 6.671 1.625 -3.914 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.546 2.995 -5.627 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.062 3.763 -5.198 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.208 1.602 -6.147 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.651 1.246 -6.868 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.609 4.595 -7.713 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.414 5.029 -6.468 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.420 3.575 -6.267 1.00 0.00 H new ATOM 1135 N VAL A 72 6.150 3.506 -2.277 1.00 0.00 N ATOM 1136 CA VAL A 72 5.842 4.362 -1.135 1.00 0.00 C ATOM 1137 C VAL A 72 5.725 5.815 -1.581 1.00 0.00 C ATOM 1138 O VAL A 72 6.471 6.268 -2.449 1.00 0.00 O ATOM 1139 CB VAL A 72 6.939 4.237 -0.075 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.431 4.800 1.253 1.00 0.00 C ATOM 1141 CG2 VAL A 72 7.307 2.762 0.103 1.00 0.00 C ATOM 0 H VAL A 72 7.134 3.492 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 72 4.891 4.043 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 72 7.819 4.796 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.212 4.711 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.167 5.850 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.552 4.241 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.088 2.670 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.427 2.203 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.668 2.360 -0.844 1.00 0.00 H new ATOM 1151 N SER A 73 4.784 6.541 -0.983 1.00 0.00 N ATOM 1152 CA SER A 73 4.577 7.947 -1.333 1.00 0.00 C ATOM 1153 C SER A 73 5.015 8.857 -0.189 1.00 0.00 C ATOM 1154 O SER A 73 5.565 8.394 0.809 1.00 0.00 O ATOM 1155 CB SER A 73 3.103 8.196 -1.653 1.00 0.00 C ATOM 1156 OG SER A 73 2.659 7.232 -2.600 1.00 0.00 O ATOM 0 H SER A 73 4.158 6.185 -0.261 1.00 0.00 H new ATOM 0 HA SER A 73 5.181 8.174 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.506 8.132 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.970 9.202 -2.051 1.00 0.00 H new ATOM 0 HG SER A 73 2.606 6.352 -2.171 1.00 0.00 H new ATOM 1162 N GLN A 74 4.769 10.155 -0.344 1.00 0.00 N ATOM 1163 CA GLN A 74 5.145 11.125 0.681 1.00 0.00 C ATOM 1164 C GLN A 74 4.073 11.209 1.763 1.00 0.00 C ATOM 1165 O GLN A 74 2.954 10.731 1.581 1.00 0.00 O ATOM 1166 CB GLN A 74 5.335 12.506 0.049 1.00 0.00 C ATOM 1167 CG GLN A 74 6.491 12.460 -0.953 1.00 0.00 C ATOM 1168 CD GLN A 74 6.953 13.877 -1.278 1.00 0.00 C ATOM 1169 OE1 GLN A 74 6.436 14.504 -2.203 1.00 0.00 O ATOM 1170 NE2 GLN A 74 7.902 14.423 -0.566 1.00 0.00 N ATOM 0 H GLN A 74 4.314 10.558 -1.163 1.00 0.00 H new ATOM 0 HA GLN A 74 6.080 10.797 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.418 12.816 -0.453 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.541 13.246 0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.319 11.884 -0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.174 11.954 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.329 13.902 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.216 15.370 -0.776 1.00 0.00 H new ATOM 1179 N LYS A 75 4.425 11.820 2.891 1.00 0.00 N ATOM 1180 CA LYS A 75 3.486 11.962 3.999 1.00 0.00 C ATOM 1181 C LYS A 75 2.681 13.250 3.862 1.00 0.00 C ATOM 1182 O LYS A 75 3.076 14.167 3.142 1.00 0.00 O ATOM 1183 CB LYS A 75 4.250 11.976 5.323 1.00 0.00 C ATOM 1184 CG LYS A 75 4.998 10.647 5.496 1.00 0.00 C ATOM 1185 CD LYS A 75 6.354 10.897 6.157 1.00 0.00 C ATOM 1186 CE LYS A 75 7.170 9.607 6.126 1.00 0.00 C ATOM 1187 NZ LYS A 75 8.511 9.852 6.728 1.00 0.00 N ATOM 0 H LYS A 75 5.347 12.222 3.061 1.00 0.00 H new ATOM 0 HA LYS A 75 2.798 11.117 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.955 12.807 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.559 12.127 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.407 9.963 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.139 10.170 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.886 11.691 5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.215 11.230 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.651 8.822 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.279 9.258 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.067 8.973 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.006 10.588 6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.397 10.166 7.713 1.00 0.00 H new ATOM 1201 N LYS A 76 1.551 13.312 4.558 1.00 0.00 N ATOM 1202 CA LYS A 76 0.698 14.494 4.508 1.00 0.00 C ATOM 1203 C LYS A 76 1.326 15.640 5.298 1.00 0.00 C ATOM 1204 O LYS A 76 2.455 15.532 5.774 1.00 0.00 O ATOM 1205 CB LYS A 76 -0.681 14.170 5.086 1.00 0.00 C ATOM 1206 CG LYS A 76 -1.221 12.894 4.436 1.00 0.00 C ATOM 1207 CD LYS A 76 -2.721 12.774 4.713 1.00 0.00 C ATOM 1208 CE LYS A 76 -3.229 11.423 4.204 1.00 0.00 C ATOM 1209 NZ LYS A 76 -2.792 10.345 5.135 1.00 0.00 N ATOM 0 H LYS A 76 1.206 12.564 5.159 1.00 0.00 H new ATOM 0 HA LYS A 76 0.592 14.798 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.613 14.040 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.366 14.999 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.040 12.916 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.697 12.023 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.913 12.867 5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.258 13.585 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.316 11.436 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.844 11.231 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.514 9.597 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.891 9.945 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.666 10.740 6.089 1.00 0.00 H new ATOM 1223 N SER A 77 0.586 16.735 5.432 1.00 0.00 N ATOM 1224 CA SER A 77 1.083 17.893 6.167 1.00 0.00 C ATOM 1225 C SER A 77 -0.071 18.806 6.574 1.00 0.00 C ATOM 1226 O SER A 77 -0.383 19.773 5.880 1.00 0.00 O ATOM 1227 CB SER A 77 2.072 18.676 5.304 1.00 0.00 C ATOM 1228 OG SER A 77 1.358 19.404 4.313 1.00 0.00 O ATOM 0 H SER A 77 -0.351 16.846 5.046 1.00 0.00 H new ATOM 0 HA SER A 77 1.587 17.538 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.653 19.358 5.925 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.779 17.994 4.832 1.00 0.00 H new ATOM 0 HG SER A 77 0.702 19.989 4.746 1.00 0.00 H new ATOM 1234 N THR A 78 -0.697 18.490 7.703 1.00 0.00 N ATOM 1235 CA THR A 78 -1.815 19.290 8.192 1.00 0.00 C ATOM 1236 C THR A 78 -1.454 20.771 8.189 1.00 0.00 C ATOM 1237 O THR A 78 -0.272 21.073 8.160 1.00 0.00 O ATOM 1238 CB THR A 78 -2.186 18.855 9.611 1.00 0.00 C ATOM 1239 OG1 THR A 78 -1.037 18.926 10.444 1.00 0.00 O ATOM 1240 CG2 THR A 78 -2.713 17.419 9.587 1.00 0.00 C ATOM 0 H THR A 78 -0.453 17.694 8.292 1.00 0.00 H new ATOM 0 HA THR A 78 -2.667 19.134 7.530 1.00 0.00 H new ATOM 0 HB THR A 78 -2.959 19.516 10.002 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.275 18.649 11.354 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.977 17.111 10.599 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.596 17.366 8.950 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.942 16.755 9.195 1.00 0.00 H new TER 1248 THR A 78