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 52 GLN : amide:sc= -4.38! C(o=-8.6!,f=-3.4!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -162:sc= -4.19! (180deg=-1.04) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0598 (180deg=-0.584) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -3.5 K(o=-3.5,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -145:sc= -0.0764 (180deg=-0.732) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -3.62! C(o=-3.6!,f=-12!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -2.14! USER MOD Single : A 28 LYS NZ :NH3+ -147:sc= 0.273 (180deg=0.0102) USER MOD Single : A 29 THR OG1 : rot -17:sc= -2.18! USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.0674 (180deg=-0.493) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 34 SER OG : rot 64:sc= 0.411 USER MOD Single : A 36 SER OG : rot 93:sc= -0.701! USER MOD Single : A 37 CYS SG : rot 15:sc= -9.82! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.48! X(o=-1.5!,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -0.106 (180deg=-0.667) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0186) USER MOD Single : A 54 SER OG : rot -41:sc= 1.08 USER MOD Single : A 56 THR OG1 : rot -157:sc= -0.743! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 77:sc= -3.78! USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -0.0521 (180deg=-0.424) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.432 USER MOD Single : A 74 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -120:sc= 0.051 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.521 -21.043 3.680 1.00 0.00 N ATOM 2 CA MET A 1 -1.386 -19.562 3.578 1.00 0.00 C ATOM 3 C MET A 1 -0.613 -19.211 2.310 1.00 0.00 C ATOM 4 O MET A 1 0.216 -19.990 1.840 1.00 0.00 O ATOM 5 CB MET A 1 -0.642 -19.034 4.806 1.00 0.00 C ATOM 6 CG MET A 1 -1.301 -19.574 6.076 1.00 0.00 C ATOM 7 SD MET A 1 -0.637 -18.707 7.518 1.00 0.00 S ATOM 8 CE MET A 1 0.782 -19.795 7.803 1.00 0.00 C ATOM 0 H1 MET A 1 -2.295 -21.277 4.335 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.731 -21.438 2.741 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.632 -21.449 4.036 1.00 0.00 H new ATOM 0 HA MET A 1 -2.374 -19.104 3.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.404 -19.339 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.656 -17.944 4.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.381 -19.439 6.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.118 -20.645 6.166 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.346 -19.439 8.665 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.431 -20.809 7.992 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.425 -19.792 6.923 1.00 0.00 H new ATOM 20 N VAL A 2 -0.889 -18.030 1.764 1.00 0.00 N ATOM 21 CA VAL A 2 -0.214 -17.578 0.550 1.00 0.00 C ATOM 22 C VAL A 2 0.864 -16.560 0.892 1.00 0.00 C ATOM 23 O VAL A 2 0.631 -15.611 1.638 1.00 0.00 O ATOM 24 CB VAL A 2 -1.238 -16.981 -0.441 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.607 -16.866 0.231 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.796 -15.590 -0.918 1.00 0.00 C ATOM 0 H VAL A 2 -1.571 -17.372 2.140 1.00 0.00 H new ATOM 0 HA VAL A 2 0.264 -18.434 0.074 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.300 -17.646 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.324 -16.444 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.943 -17.855 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.531 -16.217 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.534 -15.193 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.709 -14.922 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.170 -15.667 -1.418 1.00 0.00 H new ATOM 36 N SER A 3 2.039 -16.772 0.321 1.00 0.00 N ATOM 37 CA SER A 3 3.171 -15.881 0.536 1.00 0.00 C ATOM 38 C SER A 3 3.372 -15.008 -0.692 1.00 0.00 C ATOM 39 O SER A 3 3.196 -15.462 -1.819 1.00 0.00 O ATOM 40 CB SER A 3 4.439 -16.696 0.802 1.00 0.00 C ATOM 41 OG SER A 3 5.567 -15.987 0.308 1.00 0.00 O ATOM 0 H SER A 3 2.235 -17.558 -0.299 1.00 0.00 H new ATOM 0 HA SER A 3 2.968 -15.250 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.550 -16.879 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.367 -17.670 0.318 1.00 0.00 H new ATOM 0 HG SER A 3 6.380 -16.506 0.479 1.00 0.00 H new ATOM 47 N LEU A 4 3.728 -13.749 -0.473 1.00 0.00 N ATOM 48 CA LEU A 4 3.933 -12.830 -1.587 1.00 0.00 C ATOM 49 C LEU A 4 5.189 -12.003 -1.388 1.00 0.00 C ATOM 50 O LEU A 4 5.826 -12.048 -0.336 1.00 0.00 O ATOM 51 CB LEU A 4 2.733 -11.892 -1.724 1.00 0.00 C ATOM 52 CG LEU A 4 1.467 -12.716 -1.957 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.240 -11.806 -1.854 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.511 -13.373 -3.346 1.00 0.00 C ATOM 0 H LEU A 4 3.879 -13.344 0.451 1.00 0.00 H new ATOM 0 HA LEU A 4 4.042 -13.425 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.626 -11.287 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.889 -11.203 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 4 1.406 -13.498 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.663 -12.393 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.203 -11.356 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.306 -11.020 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.604 -13.957 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.580 -12.600 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.380 -14.028 -3.411 1.00 0.00 H new ATOM 66 N THR A 5 5.529 -11.240 -2.417 1.00 0.00 N ATOM 67 CA THR A 5 6.712 -10.383 -2.369 1.00 0.00 C ATOM 68 C THR A 5 6.397 -8.995 -2.908 1.00 0.00 C ATOM 69 O THR A 5 6.073 -8.834 -4.084 1.00 0.00 O ATOM 70 CB THR A 5 7.852 -10.990 -3.195 1.00 0.00 C ATOM 71 OG1 THR A 5 8.432 -12.070 -2.476 1.00 0.00 O ATOM 72 CG2 THR A 5 8.920 -9.919 -3.464 1.00 0.00 C ATOM 0 H THR A 5 5.008 -11.194 -3.292 1.00 0.00 H new ATOM 0 HA THR A 5 7.019 -10.304 -1.326 1.00 0.00 H new ATOM 0 HB THR A 5 7.459 -11.354 -4.144 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.160 -12.461 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.730 -10.352 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.474 -9.091 -4.015 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.315 -9.553 -2.516 1.00 0.00 H new ATOM 80 N PHE A 6 6.516 -7.995 -2.046 1.00 0.00 N ATOM 81 CA PHE A 6 6.264 -6.619 -2.451 1.00 0.00 C ATOM 82 C PHE A 6 7.591 -5.916 -2.728 1.00 0.00 C ATOM 83 O PHE A 6 8.403 -5.732 -1.821 1.00 0.00 O ATOM 84 CB PHE A 6 5.493 -5.888 -1.352 1.00 0.00 C ATOM 85 CG PHE A 6 4.111 -6.484 -1.244 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.919 -7.685 -0.550 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.022 -5.841 -1.843 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.638 -8.241 -0.454 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.742 -6.398 -1.749 1.00 0.00 C ATOM 90 CZ PHE A 6 1.549 -7.598 -1.053 1.00 0.00 C ATOM 0 H PHE A 6 6.784 -8.109 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 6 5.664 -6.612 -3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.017 -5.978 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.428 -4.824 -1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.759 -8.182 -0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.170 -4.915 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.490 -9.167 0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.902 -5.902 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.561 -8.027 -0.979 1.00 0.00 H new ATOM 100 N LYS A 7 7.816 -5.544 -3.989 1.00 0.00 N ATOM 101 CA LYS A 7 9.064 -4.883 -4.373 1.00 0.00 C ATOM 102 C LYS A 7 8.835 -3.414 -4.718 1.00 0.00 C ATOM 103 O LYS A 7 7.793 -3.043 -5.261 1.00 0.00 O ATOM 104 CB LYS A 7 9.692 -5.616 -5.567 1.00 0.00 C ATOM 105 CG LYS A 7 8.931 -5.275 -6.857 1.00 0.00 C ATOM 106 CD LYS A 7 9.646 -4.140 -7.602 1.00 0.00 C ATOM 107 CE LYS A 7 10.733 -4.720 -8.508 1.00 0.00 C ATOM 108 NZ LYS A 7 11.500 -3.609 -9.138 1.00 0.00 N ATOM 0 H LYS A 7 7.158 -5.687 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 7 9.745 -4.921 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.739 -5.332 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.669 -6.692 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.867 -6.156 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.909 -4.978 -6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.929 -3.574 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.088 -3.445 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.403 -5.356 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.283 -5.348 -9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.239 -4.003 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.856 -3.020 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.941 -3.028 -8.397 1.00 0.00 H new ATOM 122 N ASN A 8 9.824 -2.583 -4.391 1.00 0.00 N ATOM 123 CA ASN A 8 9.741 -1.148 -4.656 1.00 0.00 C ATOM 124 C ASN A 8 10.738 -0.737 -5.739 1.00 0.00 C ATOM 125 O ASN A 8 11.302 -1.583 -6.433 1.00 0.00 O ATOM 126 CB ASN A 8 10.042 -0.371 -3.374 1.00 0.00 C ATOM 127 CG ASN A 8 11.368 -0.839 -2.785 1.00 0.00 C ATOM 128 OD1 ASN A 8 12.135 -1.531 -3.454 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.687 -0.502 -1.566 1.00 0.00 N ATOM 0 H ASN A 8 10.691 -2.879 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 8 8.733 -0.920 -5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.085 0.697 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.240 -0.520 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.573 -0.812 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.051 0.072 -1.012 1.00 0.00 H new ATOM 136 N PHE A 9 10.947 0.570 -5.878 1.00 0.00 N ATOM 137 CA PHE A 9 11.873 1.087 -6.880 1.00 0.00 C ATOM 138 C PHE A 9 13.311 1.041 -6.369 1.00 0.00 C ATOM 139 O PHE A 9 14.234 1.491 -7.048 1.00 0.00 O ATOM 140 CB PHE A 9 11.500 2.531 -7.235 1.00 0.00 C ATOM 141 CG PHE A 9 10.364 2.531 -8.233 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.137 1.949 -7.895 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.540 3.113 -9.496 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.084 1.948 -8.820 1.00 0.00 C ATOM 145 CE2 PHE A 9 9.487 3.111 -10.420 1.00 0.00 C ATOM 146 CZ PHE A 9 8.260 2.529 -10.081 1.00 0.00 C ATOM 0 H PHE A 9 10.490 1.286 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 9 11.801 0.460 -7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.207 3.073 -6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.364 3.048 -7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.002 1.501 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.487 3.563 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.137 1.499 -8.560 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.622 3.558 -11.394 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.448 2.528 -10.793 1.00 0.00 H new ATOM 156 N LYS A 10 13.498 0.489 -5.174 1.00 0.00 N ATOM 157 CA LYS A 10 14.832 0.384 -4.589 1.00 0.00 C ATOM 158 C LYS A 10 15.408 -1.001 -4.854 1.00 0.00 C ATOM 159 O LYS A 10 16.443 -1.375 -4.302 1.00 0.00 O ATOM 160 CB LYS A 10 14.768 0.642 -3.081 1.00 0.00 C ATOM 161 CG LYS A 10 14.615 2.150 -2.821 1.00 0.00 C ATOM 162 CD LYS A 10 13.636 2.383 -1.664 1.00 0.00 C ATOM 163 CE LYS A 10 12.196 2.287 -2.180 1.00 0.00 C ATOM 164 NZ LYS A 10 11.727 3.638 -2.598 1.00 0.00 N ATOM 0 H LYS A 10 12.749 0.110 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 10 15.478 1.132 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.929 0.101 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.672 0.270 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.585 2.587 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.254 2.648 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.802 1.644 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.809 3.363 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.145 1.596 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.545 1.889 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.750 3.573 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.761 4.284 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.342 4.001 -3.354 1.00 0.00 H new ATOM 178 N LYS A 11 14.724 -1.750 -5.710 1.00 0.00 N ATOM 179 CA LYS A 11 15.155 -3.096 -6.069 1.00 0.00 C ATOM 180 C LYS A 11 15.206 -4.006 -4.845 1.00 0.00 C ATOM 181 O LYS A 11 16.040 -4.907 -4.767 1.00 0.00 O ATOM 182 CB LYS A 11 16.533 -3.049 -6.736 1.00 0.00 C ATOM 183 CG LYS A 11 16.461 -2.204 -8.022 1.00 0.00 C ATOM 184 CD LYS A 11 17.463 -1.045 -7.952 1.00 0.00 C ATOM 185 CE LYS A 11 18.884 -1.581 -8.141 1.00 0.00 C ATOM 186 NZ LYS A 11 19.865 -0.536 -7.733 1.00 0.00 N ATOM 0 H LYS A 11 13.866 -1.447 -6.170 1.00 0.00 H new ATOM 0 HA LYS A 11 14.426 -3.504 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.265 -2.623 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.868 -4.059 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.677 -2.829 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.452 -1.814 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.236 -0.308 -8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.380 -0.537 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.027 -2.482 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.044 -1.859 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.831 -0.898 -7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.733 0.312 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.716 -0.292 -6.733 1.00 0.00 H new ATOM 200 N GLU A 12 14.302 -3.773 -3.897 1.00 0.00 N ATOM 201 CA GLU A 12 14.243 -4.588 -2.685 1.00 0.00 C ATOM 202 C GLU A 12 12.887 -5.276 -2.583 1.00 0.00 C ATOM 203 O GLU A 12 11.853 -4.660 -2.831 1.00 0.00 O ATOM 204 CB GLU A 12 14.467 -3.719 -1.447 1.00 0.00 C ATOM 205 CG GLU A 12 15.542 -2.672 -1.745 1.00 0.00 C ATOM 206 CD GLU A 12 15.978 -1.992 -0.452 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.131 -1.788 0.403 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.152 -1.683 -0.335 1.00 0.00 O ATOM 0 H GLU A 12 13.604 -3.031 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 12 15.029 -5.342 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.537 -3.229 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.773 -4.340 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.399 -3.145 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.155 -1.930 -2.444 1.00 0.00 H new ATOM 215 N LYS A 13 12.900 -6.555 -2.221 1.00 0.00 N ATOM 216 CA LYS A 13 11.665 -7.321 -2.096 1.00 0.00 C ATOM 217 C LYS A 13 11.306 -7.525 -0.627 1.00 0.00 C ATOM 218 O LYS A 13 12.170 -7.801 0.204 1.00 0.00 O ATOM 219 CB LYS A 13 11.828 -8.684 -2.784 1.00 0.00 C ATOM 220 CG LYS A 13 13.317 -9.039 -2.890 1.00 0.00 C ATOM 221 CD LYS A 13 13.993 -8.187 -3.981 1.00 0.00 C ATOM 222 CE LYS A 13 14.689 -9.099 -4.997 1.00 0.00 C ATOM 223 NZ LYS A 13 15.663 -9.977 -4.288 1.00 0.00 N ATOM 0 H LYS A 13 13.748 -7.081 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 13 10.860 -6.765 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.301 -9.452 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.380 -8.656 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.807 -8.870 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.430 -10.098 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.250 -7.568 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.719 -7.511 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.952 -9.705 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.203 -8.499 -5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.493 -10.135 -4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.962 -9.520 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.214 -10.890 -4.072 1.00 0.00 H new ATOM 237 N VAL A 14 10.018 -7.395 -0.322 1.00 0.00 N ATOM 238 CA VAL A 14 9.533 -7.574 1.044 1.00 0.00 C ATOM 239 C VAL A 14 8.573 -8.765 1.098 1.00 0.00 C ATOM 240 O VAL A 14 7.489 -8.713 0.517 1.00 0.00 O ATOM 241 CB VAL A 14 8.801 -6.310 1.505 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.607 -6.356 3.021 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.630 -5.078 1.136 1.00 0.00 C ATOM 0 H VAL A 14 9.292 -7.167 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 14 10.382 -7.760 1.702 1.00 0.00 H new ATOM 0 HB VAL A 14 7.829 -6.255 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.086 -5.456 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.017 -7.234 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.579 -6.411 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.110 -4.178 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.602 -5.134 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.769 -5.043 0.055 1.00 0.00 H new ATOM 253 N PRO A 15 8.942 -9.836 1.762 1.00 0.00 N ATOM 254 CA PRO A 15 8.078 -11.046 1.852 1.00 0.00 C ATOM 255 C PRO A 15 6.923 -10.868 2.832 1.00 0.00 C ATOM 256 O PRO A 15 7.070 -10.239 3.879 1.00 0.00 O ATOM 257 CB PRO A 15 9.035 -12.140 2.322 1.00 0.00 C ATOM 258 CG PRO A 15 10.100 -11.426 3.091 1.00 0.00 C ATOM 259 CD PRO A 15 10.208 -10.017 2.496 1.00 0.00 C ATOM 0 HA PRO A 15 7.598 -11.274 0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.521 -12.871 2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.457 -12.684 1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.847 -11.380 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.051 -11.952 3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.328 -9.264 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.069 -9.930 1.833 1.00 0.00 H new ATOM 267 N LEU A 16 5.775 -11.434 2.477 1.00 0.00 N ATOM 268 CA LEU A 16 4.586 -11.348 3.318 1.00 0.00 C ATOM 269 C LEU A 16 3.732 -12.601 3.165 1.00 0.00 C ATOM 270 O LEU A 16 3.926 -13.391 2.243 1.00 0.00 O ATOM 271 CB LEU A 16 3.747 -10.126 2.919 1.00 0.00 C ATOM 272 CG LEU A 16 4.344 -8.851 3.518 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.570 -7.635 2.993 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.252 -8.893 5.052 1.00 0.00 C ATOM 0 H LEU A 16 5.642 -11.958 1.612 1.00 0.00 H new ATOM 0 HA LEU A 16 4.909 -11.254 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.709 -10.042 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.721 -10.252 3.265 1.00 0.00 H new ATOM 0 HG LEU A 16 5.392 -8.776 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.992 -6.724 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.645 -7.598 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.522 -7.718 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.680 -7.981 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.207 -8.973 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.804 -9.755 5.426 1.00 0.00 H new ATOM 286 N ASP A 17 2.773 -12.755 4.070 1.00 0.00 N ATOM 287 CA ASP A 17 1.859 -13.895 4.038 1.00 0.00 C ATOM 288 C ASP A 17 0.450 -13.416 4.352 1.00 0.00 C ATOM 289 O ASP A 17 0.244 -12.661 5.301 1.00 0.00 O ATOM 290 CB ASP A 17 2.276 -14.950 5.058 1.00 0.00 C ATOM 291 CG ASP A 17 3.719 -15.379 4.811 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.609 -14.667 5.244 1.00 0.00 O ATOM 293 OD2 ASP A 17 3.911 -16.411 4.190 1.00 0.00 O ATOM 0 H ASP A 17 2.606 -12.104 4.838 1.00 0.00 H new ATOM 0 HA ASP A 17 1.890 -14.342 3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.175 -14.551 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.615 -15.814 4.990 1.00 0.00 H new ATOM 298 N LEU A 18 -0.512 -13.836 3.541 1.00 0.00 N ATOM 299 CA LEU A 18 -1.896 -13.411 3.738 1.00 0.00 C ATOM 300 C LEU A 18 -2.879 -14.557 3.546 1.00 0.00 C ATOM 301 O LEU A 18 -2.490 -15.713 3.385 1.00 0.00 O ATOM 302 CB LEU A 18 -2.231 -12.305 2.739 1.00 0.00 C ATOM 303 CG LEU A 18 -1.464 -11.023 3.099 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.561 -10.612 1.935 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.465 -9.903 3.391 1.00 0.00 C ATOM 0 H LEU A 18 -0.365 -14.463 2.750 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.988 -13.053 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.970 -12.624 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.304 -12.111 2.745 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.848 -11.205 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.020 -9.703 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.151 -11.410 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.170 -10.430 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.926 -8.991 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.080 -9.726 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.103 -10.194 4.226 1.00 0.00 H new ATOM 317 N GLU A 19 -4.165 -14.209 3.560 1.00 0.00 N ATOM 318 CA GLU A 19 -5.231 -15.187 3.384 1.00 0.00 C ATOM 319 C GLU A 19 -6.126 -14.772 2.217 1.00 0.00 C ATOM 320 O GLU A 19 -6.238 -13.586 1.909 1.00 0.00 O ATOM 321 CB GLU A 19 -6.060 -15.279 4.668 1.00 0.00 C ATOM 322 CG GLU A 19 -5.235 -15.966 5.758 1.00 0.00 C ATOM 323 CD GLU A 19 -6.011 -15.980 7.070 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.114 -14.932 7.686 1.00 0.00 O ATOM 325 OE2 GLU A 19 -6.490 -17.039 7.441 1.00 0.00 O ATOM 0 H GLU A 19 -4.492 -13.252 3.692 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.794 -16.162 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.356 -14.282 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.976 -15.839 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.997 -16.986 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.288 -15.444 5.892 1.00 0.00 H new ATOM 332 N PRO A 20 -6.761 -15.712 1.566 1.00 0.00 N ATOM 333 CA PRO A 20 -7.659 -15.417 0.415 1.00 0.00 C ATOM 334 C PRO A 20 -8.658 -14.313 0.745 1.00 0.00 C ATOM 335 O PRO A 20 -9.121 -13.593 -0.138 1.00 0.00 O ATOM 336 CB PRO A 20 -8.389 -16.743 0.142 1.00 0.00 C ATOM 337 CG PRO A 20 -7.980 -17.695 1.226 1.00 0.00 C ATOM 338 CD PRO A 20 -6.699 -17.147 1.849 1.00 0.00 C ATOM 0 HA PRO A 20 -7.099 -15.059 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.469 -16.597 0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.122 -17.136 -0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.765 -17.784 1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.814 -18.693 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.660 -17.342 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.813 -17.604 1.409 1.00 0.00 H new ATOM 346 N SER A 21 -8.991 -14.198 2.023 1.00 0.00 N ATOM 347 CA SER A 21 -9.951 -13.187 2.466 1.00 0.00 C ATOM 348 C SER A 21 -9.253 -11.899 2.872 1.00 0.00 C ATOM 349 O SER A 21 -9.828 -10.817 2.749 1.00 0.00 O ATOM 350 CB SER A 21 -10.767 -13.721 3.643 1.00 0.00 C ATOM 351 OG SER A 21 -11.380 -14.950 3.271 1.00 0.00 O ATOM 0 H SER A 21 -8.616 -14.785 2.768 1.00 0.00 H new ATOM 0 HA SER A 21 -10.614 -12.967 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.122 -13.870 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.527 -12.995 3.933 1.00 0.00 H new ATOM 0 HG SER A 21 -11.903 -15.296 4.024 1.00 0.00 H new ATOM 357 N ASN A 22 -8.015 -11.999 3.343 1.00 0.00 N ATOM 358 CA ASN A 22 -7.289 -10.803 3.734 1.00 0.00 C ATOM 359 C ASN A 22 -7.456 -9.752 2.653 1.00 0.00 C ATOM 360 O ASN A 22 -7.335 -10.048 1.465 1.00 0.00 O ATOM 361 CB ASN A 22 -5.805 -11.104 3.924 1.00 0.00 C ATOM 362 CG ASN A 22 -5.571 -11.812 5.256 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.696 -12.672 5.356 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.299 -11.498 6.293 1.00 0.00 N ATOM 0 H ASN A 22 -7.505 -12.875 3.461 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.689 -10.441 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.446 -11.728 3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.233 -10.177 3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.143 -11.965 7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.024 -10.785 6.210 1.00 0.00 H new ATOM 371 N THR A 23 -7.749 -8.531 3.064 1.00 0.00 N ATOM 372 CA THR A 23 -7.949 -7.457 2.108 1.00 0.00 C ATOM 373 C THR A 23 -6.704 -6.593 1.990 1.00 0.00 C ATOM 374 O THR A 23 -5.854 -6.576 2.881 1.00 0.00 O ATOM 375 CB THR A 23 -9.150 -6.611 2.510 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.757 -5.645 3.474 1.00 0.00 O ATOM 377 CG2 THR A 23 -10.228 -7.521 3.094 1.00 0.00 C ATOM 0 H THR A 23 -7.853 -8.260 4.042 1.00 0.00 H new ATOM 0 HA THR A 23 -8.143 -7.901 1.132 1.00 0.00 H new ATOM 0 HB THR A 23 -9.544 -6.094 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.532 -5.102 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.091 -6.922 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.530 -8.254 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.834 -8.037 3.969 1.00 0.00 H new ATOM 385 N ILE A 24 -6.603 -5.886 0.876 1.00 0.00 N ATOM 386 CA ILE A 24 -5.467 -5.025 0.617 1.00 0.00 C ATOM 387 C ILE A 24 -5.243 -4.083 1.781 1.00 0.00 C ATOM 388 O ILE A 24 -4.121 -3.647 2.020 1.00 0.00 O ATOM 389 CB ILE A 24 -5.730 -4.220 -0.664 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.595 -5.084 -1.945 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.752 -3.054 -0.740 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.073 -6.491 -1.642 1.00 0.00 C ATOM 0 H ILE A 24 -7.302 -5.894 0.133 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.573 -5.636 0.492 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.757 -3.859 -0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.565 -5.156 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.920 -4.591 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.938 -2.482 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.886 -2.409 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.731 -3.436 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.995 -7.058 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.090 -6.422 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.761 -6.996 -0.964 1.00 0.00 H new ATOM 404 N LEU A 25 -6.300 -3.781 2.513 1.00 0.00 N ATOM 405 CA LEU A 25 -6.158 -2.901 3.656 1.00 0.00 C ATOM 406 C LEU A 25 -5.150 -3.512 4.608 1.00 0.00 C ATOM 407 O LEU A 25 -4.177 -2.877 5.011 1.00 0.00 O ATOM 408 CB LEU A 25 -7.504 -2.732 4.367 1.00 0.00 C ATOM 409 CG LEU A 25 -7.462 -1.479 5.244 1.00 0.00 C ATOM 410 CD1 LEU A 25 -8.858 -1.207 5.810 1.00 0.00 C ATOM 411 CD2 LEU A 25 -6.466 -1.671 6.398 1.00 0.00 C ATOM 0 H LEU A 25 -7.245 -4.123 2.342 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.818 -1.920 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.307 -2.650 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.718 -3.609 4.977 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.140 -0.632 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.830 -0.315 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.560 -1.054 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.180 -2.059 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.446 -0.772 7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.774 -2.521 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.471 -1.856 5.993 1.00 0.00 H new ATOM 423 N GLU A 26 -5.405 -4.763 4.950 1.00 0.00 N ATOM 424 CA GLU A 26 -4.539 -5.504 5.856 1.00 0.00 C ATOM 425 C GLU A 26 -3.128 -5.644 5.290 1.00 0.00 C ATOM 426 O GLU A 26 -2.154 -5.371 5.991 1.00 0.00 O ATOM 427 CB GLU A 26 -5.125 -6.891 6.125 1.00 0.00 C ATOM 428 CG GLU A 26 -6.427 -6.750 6.913 1.00 0.00 C ATOM 429 CD GLU A 26 -6.969 -8.129 7.275 1.00 0.00 C ATOM 430 OE1 GLU A 26 -7.692 -8.690 6.468 1.00 0.00 O ATOM 431 OE2 GLU A 26 -6.654 -8.604 8.353 1.00 0.00 O ATOM 0 H GLU A 26 -6.210 -5.291 4.612 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.478 -4.945 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.311 -7.408 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.412 -7.496 6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.253 -6.169 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.163 -6.205 6.322 1.00 0.00 H new ATOM 438 N THR A 27 -3.004 -6.053 4.026 1.00 0.00 N ATOM 439 CA THR A 27 -1.678 -6.187 3.445 1.00 0.00 C ATOM 440 C THR A 27 -0.989 -4.833 3.518 1.00 0.00 C ATOM 441 O THR A 27 0.191 -4.736 3.855 1.00 0.00 O ATOM 442 CB THR A 27 -1.776 -6.707 1.999 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.872 -7.787 1.831 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.430 -5.603 1.004 1.00 0.00 C ATOM 0 H THR A 27 -3.780 -6.289 3.407 1.00 0.00 H new ATOM 0 HA THR A 27 -1.087 -6.916 4.000 1.00 0.00 H new ATOM 0 HB THR A 27 -2.798 -7.037 1.813 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.931 -8.123 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.505 -5.992 -0.012 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.124 -4.772 1.127 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.413 -5.256 1.185 1.00 0.00 H new ATOM 452 N LYS A 28 -1.755 -3.790 3.235 1.00 0.00 N ATOM 453 CA LYS A 28 -1.239 -2.430 3.307 1.00 0.00 C ATOM 454 C LYS A 28 -0.800 -2.122 4.737 1.00 0.00 C ATOM 455 O LYS A 28 0.246 -1.511 4.958 1.00 0.00 O ATOM 456 CB LYS A 28 -2.326 -1.434 2.886 1.00 0.00 C ATOM 457 CG LYS A 28 -2.202 -1.103 1.391 1.00 0.00 C ATOM 458 CD LYS A 28 -2.746 0.301 1.147 1.00 0.00 C ATOM 459 CE LYS A 28 -2.894 0.543 -0.357 1.00 0.00 C ATOM 460 NZ LYS A 28 -3.369 1.935 -0.591 1.00 0.00 N ATOM 0 H LYS A 28 -2.733 -3.858 2.954 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.386 -2.339 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.311 -1.853 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.239 -0.521 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.160 -1.163 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.756 -1.830 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.711 0.418 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.074 1.042 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.939 0.384 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.600 -0.170 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.978 1.957 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.910 2.261 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.551 2.561 -0.738 1.00 0.00 H new ATOM 474 N THR A 29 -1.611 -2.547 5.709 1.00 0.00 N ATOM 475 CA THR A 29 -1.299 -2.304 7.110 1.00 0.00 C ATOM 476 C THR A 29 -0.003 -3.003 7.502 1.00 0.00 C ATOM 477 O THR A 29 0.844 -2.426 8.183 1.00 0.00 O ATOM 478 CB THR A 29 -2.448 -2.808 7.994 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.651 -2.819 7.241 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.614 -1.885 9.199 1.00 0.00 C ATOM 0 H THR A 29 -2.480 -3.056 5.549 1.00 0.00 H new ATOM 0 HA THR A 29 -1.173 -1.231 7.255 1.00 0.00 H new ATOM 0 HB THR A 29 -2.222 -3.817 8.340 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.543 -2.259 6.444 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.431 -2.246 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.691 -1.874 9.779 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.839 -0.875 8.856 1.00 0.00 H new ATOM 488 N LYS A 30 0.146 -4.250 7.071 1.00 0.00 N ATOM 489 CA LYS A 30 1.345 -5.012 7.389 1.00 0.00 C ATOM 490 C LYS A 30 2.544 -4.464 6.626 1.00 0.00 C ATOM 491 O LYS A 30 3.521 -4.021 7.227 1.00 0.00 O ATOM 492 CB LYS A 30 1.139 -6.487 7.037 1.00 0.00 C ATOM 493 CG LYS A 30 2.308 -7.317 7.583 1.00 0.00 C ATOM 494 CD LYS A 30 2.043 -7.695 9.044 1.00 0.00 C ATOM 495 CE LYS A 30 3.128 -8.661 9.525 1.00 0.00 C ATOM 496 NZ LYS A 30 2.979 -9.968 8.826 1.00 0.00 N ATOM 0 H LYS A 30 -0.541 -4.750 6.506 1.00 0.00 H new ATOM 0 HA LYS A 30 1.538 -4.921 8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.199 -6.844 7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.069 -6.607 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.437 -8.218 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.235 -6.749 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.035 -6.800 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.061 -8.158 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.115 -8.242 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.051 -8.803 10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.423 -10.718 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.969 -10.181 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.441 -9.919 7.896 1.00 0.00 H new ATOM 510 N LEU A 31 2.466 -4.492 5.299 1.00 0.00 N ATOM 511 CA LEU A 31 3.559 -3.988 4.481 1.00 0.00 C ATOM 512 C LEU A 31 4.026 -2.639 5.012 1.00 0.00 C ATOM 513 O LEU A 31 5.157 -2.219 4.769 1.00 0.00 O ATOM 514 CB LEU A 31 3.101 -3.841 3.028 1.00 0.00 C ATOM 515 CG LEU A 31 4.270 -3.366 2.158 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.418 -4.379 2.231 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.796 -3.231 0.707 1.00 0.00 C ATOM 0 H LEU A 31 1.669 -4.853 4.775 1.00 0.00 H new ATOM 0 HA LEU A 31 4.387 -4.695 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.725 -4.795 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.278 -3.129 2.967 1.00 0.00 H new ATOM 0 HG LEU A 31 4.623 -2.401 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.246 -4.036 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.754 -4.475 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.072 -5.348 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.624 -2.893 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.443 -4.198 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.984 -2.506 0.656 1.00 0.00 H new ATOM 529 N ALA A 32 3.145 -1.971 5.748 1.00 0.00 N ATOM 530 CA ALA A 32 3.469 -0.671 6.322 1.00 0.00 C ATOM 531 C ALA A 32 4.288 -0.852 7.595 1.00 0.00 C ATOM 532 O ALA A 32 5.271 -0.145 7.825 1.00 0.00 O ATOM 533 CB ALA A 32 2.181 0.099 6.639 1.00 0.00 C ATOM 0 H ALA A 32 2.205 -2.306 5.960 1.00 0.00 H new ATOM 0 HA ALA A 32 4.055 -0.103 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.433 1.069 7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.609 0.245 5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.584 -0.469 7.353 1.00 0.00 H new ATOM 539 N GLN A 33 3.874 -1.809 8.412 1.00 0.00 N ATOM 540 CA GLN A 33 4.564 -2.096 9.663 1.00 0.00 C ATOM 541 C GLN A 33 5.817 -2.915 9.394 1.00 0.00 C ATOM 542 O GLN A 33 6.684 -3.052 10.257 1.00 0.00 O ATOM 543 CB GLN A 33 3.639 -2.859 10.612 1.00 0.00 C ATOM 544 CG GLN A 33 2.504 -1.940 11.065 1.00 0.00 C ATOM 545 CD GLN A 33 1.510 -2.719 11.922 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.835 -3.794 12.425 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.313 -2.238 12.116 1.00 0.00 N ATOM 0 H GLN A 33 3.063 -2.401 8.232 1.00 0.00 H new ATOM 0 HA GLN A 33 4.850 -1.153 10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.232 -3.738 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.200 -3.215 11.476 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.908 -1.103 11.634 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.997 -1.520 10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.048 -1.347 11.697 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.357 -2.753 12.686 1.00 0.00 H new ATOM 556 N SER A 34 5.903 -3.455 8.185 1.00 0.00 N ATOM 557 CA SER A 34 7.054 -4.258 7.798 1.00 0.00 C ATOM 558 C SER A 34 8.247 -3.349 7.580 1.00 0.00 C ATOM 559 O SER A 34 9.317 -3.555 8.153 1.00 0.00 O ATOM 560 CB SER A 34 6.750 -5.032 6.515 1.00 0.00 C ATOM 561 OG SER A 34 5.718 -5.977 6.769 1.00 0.00 O ATOM 0 H SER A 34 5.193 -3.352 7.460 1.00 0.00 H new ATOM 0 HA SER A 34 7.278 -4.971 8.591 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.444 -4.345 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.647 -5.542 6.163 1.00 0.00 H new ATOM 0 HG SER A 34 4.895 -5.505 7.014 1.00 0.00 H new ATOM 567 N ILE A 35 8.042 -2.325 6.762 1.00 0.00 N ATOM 568 CA ILE A 35 9.084 -1.364 6.483 1.00 0.00 C ATOM 569 C ILE A 35 8.929 -0.180 7.424 1.00 0.00 C ATOM 570 O ILE A 35 9.827 0.652 7.555 1.00 0.00 O ATOM 571 CB ILE A 35 8.988 -0.922 5.028 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.711 -0.103 4.813 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.946 -2.163 4.134 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.554 0.242 3.325 1.00 0.00 C ATOM 0 H ILE A 35 7.160 -2.144 6.283 1.00 0.00 H new ATOM 0 HA ILE A 35 10.065 -1.811 6.641 1.00 0.00 H new ATOM 0 HB ILE A 35 9.853 -0.308 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.845 -0.668 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.751 0.812 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.877 -1.857 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.853 -2.749 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.077 -2.769 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.644 0.824 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.414 0.824 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.493 -0.677 2.743 1.00 0.00 H new ATOM 586 N SER A 36 7.779 -0.130 8.098 1.00 0.00 N ATOM 587 CA SER A 36 7.502 0.936 9.057 1.00 0.00 C ATOM 588 C SER A 36 7.017 2.208 8.368 1.00 0.00 C ATOM 589 O SER A 36 7.269 3.312 8.852 1.00 0.00 O ATOM 590 CB SER A 36 8.759 1.243 9.875 1.00 0.00 C ATOM 591 OG SER A 36 9.538 0.060 9.998 1.00 0.00 O ATOM 0 H SER A 36 7.028 -0.813 7.997 1.00 0.00 H new ATOM 0 HA SER A 36 6.707 0.587 9.716 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.341 2.027 9.390 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.483 1.615 10.862 1.00 0.00 H new ATOM 0 HG SER A 36 10.197 0.026 9.274 1.00 0.00 H new ATOM 597 N CYS A 37 6.307 2.057 7.252 1.00 0.00 N ATOM 598 CA CYS A 37 5.784 3.224 6.534 1.00 0.00 C ATOM 599 C CYS A 37 4.263 3.187 6.515 1.00 0.00 C ATOM 600 O CYS A 37 3.667 2.134 6.319 1.00 0.00 O ATOM 601 CB CYS A 37 6.312 3.259 5.099 1.00 0.00 C ATOM 602 SG CYS A 37 5.376 2.093 4.081 1.00 0.00 S ATOM 0 H CYS A 37 6.082 1.157 6.829 1.00 0.00 H new ATOM 0 HA CYS A 37 6.119 4.122 7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.222 4.266 4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.371 3.002 5.084 1.00 0.00 H new ATOM 0 HG CYS A 37 4.288 1.749 4.704 1.00 0.00 H new ATOM 608 N GLU A 38 3.642 4.341 6.721 1.00 0.00 N ATOM 609 CA GLU A 38 2.189 4.419 6.730 1.00 0.00 C ATOM 610 C GLU A 38 1.604 3.833 5.452 1.00 0.00 C ATOM 611 O GLU A 38 2.169 3.976 4.367 1.00 0.00 O ATOM 612 CB GLU A 38 1.739 5.878 6.886 1.00 0.00 C ATOM 613 CG GLU A 38 1.250 6.117 8.316 1.00 0.00 C ATOM 614 CD GLU A 38 0.785 7.561 8.474 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.690 8.246 7.468 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.531 7.961 9.598 1.00 0.00 O ATOM 0 H GLU A 38 4.118 5.229 6.883 1.00 0.00 H new ATOM 0 HA GLU A 38 1.824 3.837 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.566 6.550 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.942 6.101 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.432 5.435 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.052 5.905 9.023 1.00 0.00 H new ATOM 623 N GLU A 39 0.463 3.180 5.600 1.00 0.00 N ATOM 624 CA GLU A 39 -0.222 2.569 4.468 1.00 0.00 C ATOM 625 C GLU A 39 -0.944 3.638 3.650 1.00 0.00 C ATOM 626 O GLU A 39 -1.286 3.427 2.486 1.00 0.00 O ATOM 627 CB GLU A 39 -1.240 1.531 4.961 1.00 0.00 C ATOM 628 CG GLU A 39 -1.812 1.950 6.322 1.00 0.00 C ATOM 629 CD GLU A 39 -0.925 1.442 7.455 1.00 0.00 C ATOM 630 OE1 GLU A 39 0.264 1.705 7.414 1.00 0.00 O ATOM 631 OE2 GLU A 39 -1.451 0.801 8.349 1.00 0.00 O ATOM 0 H GLU A 39 -0.011 3.058 6.495 1.00 0.00 H new ATOM 0 HA GLU A 39 0.520 2.075 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.047 1.430 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.763 0.555 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.889 3.036 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.821 1.553 6.437 1.00 0.00 H new ATOM 638 N SER A 40 -1.191 4.771 4.290 1.00 0.00 N ATOM 639 CA SER A 40 -1.902 5.879 3.653 1.00 0.00 C ATOM 640 C SER A 40 -1.098 6.506 2.515 1.00 0.00 C ATOM 641 O SER A 40 -1.588 7.407 1.834 1.00 0.00 O ATOM 642 CB SER A 40 -2.220 6.952 4.695 1.00 0.00 C ATOM 643 OG SER A 40 -3.120 6.419 5.657 1.00 0.00 O ATOM 0 H SER A 40 -0.910 4.952 5.254 1.00 0.00 H new ATOM 0 HA SER A 40 -2.821 5.474 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.304 7.285 5.182 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.660 7.825 4.213 1.00 0.00 H new ATOM 0 HG SER A 40 -3.325 7.103 6.328 1.00 0.00 H new ATOM 649 N GLN A 41 0.129 6.037 2.305 1.00 0.00 N ATOM 650 CA GLN A 41 0.967 6.576 1.237 1.00 0.00 C ATOM 651 C GLN A 41 1.318 5.472 0.254 1.00 0.00 C ATOM 652 O GLN A 41 1.538 5.713 -0.933 1.00 0.00 O ATOM 653 CB GLN A 41 2.243 7.166 1.831 1.00 0.00 C ATOM 654 CG GLN A 41 2.731 6.256 2.947 1.00 0.00 C ATOM 655 CD GLN A 41 4.053 6.772 3.501 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.698 6.097 4.304 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.498 7.937 3.119 1.00 0.00 N ATOM 0 H GLN A 41 0.562 5.293 2.853 1.00 0.00 H new ATOM 0 HA GLN A 41 0.421 7.361 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.008 7.262 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.052 8.167 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.987 6.211 3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.857 5.241 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.962 8.495 2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.382 8.291 3.485 1.00 0.00 H new ATOM 666 N ILE A 42 1.370 4.260 0.777 1.00 0.00 N ATOM 667 CA ILE A 42 1.694 3.089 -0.003 1.00 0.00 C ATOM 668 C ILE A 42 0.660 2.829 -1.096 1.00 0.00 C ATOM 669 O ILE A 42 -0.523 3.137 -0.948 1.00 0.00 O ATOM 670 CB ILE A 42 1.770 1.904 0.967 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.223 1.505 1.178 1.00 0.00 C ATOM 672 CG2 ILE A 42 0.978 0.707 0.450 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.303 0.592 2.393 1.00 0.00 C ATOM 0 H ILE A 42 1.187 4.064 1.761 1.00 0.00 H new ATOM 0 HA ILE A 42 2.646 3.237 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 42 1.331 2.216 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.607 0.995 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.841 2.390 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.054 -0.115 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.068 0.988 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.382 0.392 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.339 0.296 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.932 1.121 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.695 -0.296 2.221 1.00 0.00 H new ATOM 685 N LYS A 43 1.136 2.233 -2.183 1.00 0.00 N ATOM 686 CA LYS A 43 0.288 1.885 -3.319 1.00 0.00 C ATOM 687 C LYS A 43 0.695 0.511 -3.843 1.00 0.00 C ATOM 688 O LYS A 43 1.832 0.319 -4.272 1.00 0.00 O ATOM 689 CB LYS A 43 0.438 2.922 -4.436 1.00 0.00 C ATOM 690 CG LYS A 43 0.275 4.335 -3.860 1.00 0.00 C ATOM 691 CD LYS A 43 -0.416 5.237 -4.886 1.00 0.00 C ATOM 692 CE LYS A 43 0.485 5.406 -6.112 1.00 0.00 C ATOM 693 NZ LYS A 43 1.748 6.087 -5.709 1.00 0.00 N ATOM 0 H LYS A 43 2.116 1.978 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.753 1.868 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.415 2.822 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.309 2.747 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.311 4.298 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.250 4.746 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.371 4.803 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.631 6.210 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.707 4.433 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.028 5.990 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.950 6.864 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.645 6.469 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.532 5.404 -5.728 1.00 0.00 H new ATOM 707 N LEU A 44 -0.223 -0.449 -3.784 1.00 0.00 N ATOM 708 CA LEU A 44 0.080 -1.805 -4.237 1.00 0.00 C ATOM 709 C LEU A 44 -0.362 -2.023 -5.678 1.00 0.00 C ATOM 710 O LEU A 44 -1.548 -1.964 -6.000 1.00 0.00 O ATOM 711 CB LEU A 44 -0.599 -2.826 -3.325 1.00 0.00 C ATOM 712 CG LEU A 44 -0.378 -2.429 -1.865 1.00 0.00 C ATOM 713 CD1 LEU A 44 -0.828 -3.566 -0.948 1.00 0.00 C ATOM 714 CD2 LEU A 44 1.108 -2.146 -1.627 1.00 0.00 C ATOM 0 H LEU A 44 -1.171 -0.318 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 44 1.161 -1.939 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.666 -2.872 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.193 -3.821 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.959 -1.533 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.669 -3.280 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.887 -3.768 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.250 -4.463 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.262 -1.863 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.689 -3.041 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.432 -1.332 -2.276 1.00 0.00 H new ATOM 726 N ILE A 45 0.620 -2.261 -6.541 1.00 0.00 N ATOM 727 CA ILE A 45 0.372 -2.478 -7.958 1.00 0.00 C ATOM 728 C ILE A 45 0.368 -3.971 -8.271 1.00 0.00 C ATOM 729 O ILE A 45 1.248 -4.708 -7.827 1.00 0.00 O ATOM 730 CB ILE A 45 1.484 -1.821 -8.788 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.607 -0.301 -8.529 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.206 -2.048 -10.273 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.794 0.147 -7.320 1.00 0.00 C ATOM 0 H ILE A 45 1.604 -2.308 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.596 -2.042 -8.206 1.00 0.00 H new ATOM 0 HB ILE A 45 2.424 -2.283 -8.488 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.655 -0.045 -8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.272 0.244 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.994 -1.583 -10.866 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.181 -3.118 -10.479 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.245 -1.605 -10.535 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.913 1.221 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.259 -0.083 -7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.146 -0.376 -6.431 1.00 0.00 H new ATOM 745 N TYR A 46 -0.609 -4.404 -9.061 1.00 0.00 N ATOM 746 CA TYR A 46 -0.700 -5.803 -9.456 1.00 0.00 C ATOM 747 C TYR A 46 -0.562 -5.894 -10.965 1.00 0.00 C ATOM 748 O TYR A 46 -1.467 -5.510 -11.707 1.00 0.00 O ATOM 749 CB TYR A 46 -2.042 -6.388 -9.013 1.00 0.00 C ATOM 750 CG TYR A 46 -2.085 -7.874 -9.301 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.179 -8.742 -8.674 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.041 -8.387 -10.188 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.231 -10.117 -8.935 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.091 -9.761 -10.448 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.186 -10.626 -9.822 1.00 0.00 C ATOM 756 OH TYR A 46 -2.235 -11.982 -10.080 1.00 0.00 O ATOM 0 H TYR A 46 -1.346 -3.808 -9.439 1.00 0.00 H new ATOM 0 HA TYR A 46 0.097 -6.373 -8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.190 -6.212 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.856 -5.885 -9.535 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.441 -8.350 -7.990 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.740 -7.721 -10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.534 -10.785 -8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.828 -10.154 -11.132 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.956 -12.168 -10.717 1.00 0.00 H new ATOM 766 N SER A 47 0.582 -6.384 -11.414 1.00 0.00 N ATOM 767 CA SER A 47 0.840 -6.500 -12.838 1.00 0.00 C ATOM 768 C SER A 47 0.573 -5.171 -13.537 1.00 0.00 C ATOM 769 O SER A 47 0.049 -5.142 -14.651 1.00 0.00 O ATOM 770 CB SER A 47 -0.040 -7.591 -13.448 1.00 0.00 C ATOM 771 OG SER A 47 0.197 -8.818 -12.771 1.00 0.00 O ATOM 0 H SER A 47 1.343 -6.706 -10.816 1.00 0.00 H new ATOM 0 HA SER A 47 1.887 -6.768 -12.977 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.091 -7.314 -13.366 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.179 -7.700 -14.510 1.00 0.00 H new ATOM 0 HG SER A 47 -0.367 -9.520 -13.158 1.00 0.00 H new ATOM 777 N GLY A 48 0.936 -4.071 -12.879 1.00 0.00 N ATOM 778 CA GLY A 48 0.727 -2.750 -13.461 1.00 0.00 C ATOM 779 C GLY A 48 -0.687 -2.257 -13.184 1.00 0.00 C ATOM 780 O GLY A 48 -1.260 -1.517 -13.983 1.00 0.00 O ATOM 0 H GLY A 48 1.370 -4.069 -11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.450 -2.047 -13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.899 -2.790 -14.537 1.00 0.00 H new ATOM 784 N LYS A 49 -1.255 -2.679 -12.054 1.00 0.00 N ATOM 785 CA LYS A 49 -2.615 -2.275 -11.701 1.00 0.00 C ATOM 786 C LYS A 49 -2.679 -1.757 -10.271 1.00 0.00 C ATOM 787 O LYS A 49 -2.360 -2.472 -9.328 1.00 0.00 O ATOM 788 CB LYS A 49 -3.558 -3.475 -11.845 1.00 0.00 C ATOM 789 CG LYS A 49 -5.021 -3.002 -11.852 1.00 0.00 C ATOM 790 CD LYS A 49 -5.605 -3.025 -10.432 1.00 0.00 C ATOM 791 CE LYS A 49 -5.694 -4.469 -9.917 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.939 -4.629 -9.112 1.00 0.00 N ATOM 0 H LYS A 49 -0.802 -3.292 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.919 -1.474 -12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.337 -4.012 -12.768 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.398 -4.173 -11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.080 -1.992 -12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.613 -3.644 -12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.980 -2.431 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.595 -2.569 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.697 -5.167 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.821 -4.705 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.945 -5.568 -8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.974 -3.894 -8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.768 -4.537 -9.733 1.00 0.00 H new ATOM 806 N VAL A 50 -3.120 -0.518 -10.111 1.00 0.00 N ATOM 807 CA VAL A 50 -3.235 0.064 -8.782 1.00 0.00 C ATOM 808 C VAL A 50 -4.336 -0.648 -7.994 1.00 0.00 C ATOM 809 O VAL A 50 -5.514 -0.320 -8.122 1.00 0.00 O ATOM 810 CB VAL A 50 -3.547 1.561 -8.886 1.00 0.00 C ATOM 811 CG1 VAL A 50 -4.830 1.777 -9.702 1.00 0.00 C ATOM 812 CG2 VAL A 50 -3.730 2.141 -7.480 1.00 0.00 C ATOM 0 H VAL A 50 -3.401 0.097 -10.874 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.287 -0.061 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.720 2.065 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.043 2.844 -9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.697 1.369 -10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.662 1.272 -9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.952 3.206 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.554 1.631 -6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.814 1.999 -6.906 1.00 0.00 H new ATOM 822 N LEU A 51 -3.944 -1.630 -7.186 1.00 0.00 N ATOM 823 CA LEU A 51 -4.904 -2.386 -6.394 1.00 0.00 C ATOM 824 C LEU A 51 -5.829 -1.451 -5.629 1.00 0.00 C ATOM 825 O LEU A 51 -5.628 -0.237 -5.609 1.00 0.00 O ATOM 826 CB LEU A 51 -4.177 -3.299 -5.405 1.00 0.00 C ATOM 827 CG LEU A 51 -3.524 -4.468 -6.157 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.340 -5.001 -5.341 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.551 -5.593 -6.366 1.00 0.00 C ATOM 0 H LEU A 51 -2.973 -1.918 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.499 -2.992 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.418 -2.733 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.880 -3.679 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.172 -4.119 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.875 -5.831 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.608 -4.206 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.694 -5.346 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.082 -6.419 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.909 -5.943 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.391 -5.215 -6.949 1.00 0.00 H new ATOM 841 N GLN A 52 -6.847 -2.032 -5.006 1.00 0.00 N ATOM 842 CA GLN A 52 -7.817 -1.251 -4.238 1.00 0.00 C ATOM 843 C GLN A 52 -7.898 -1.763 -2.803 1.00 0.00 C ATOM 844 O GLN A 52 -7.557 -2.910 -2.523 1.00 0.00 O ATOM 845 CB GLN A 52 -9.203 -1.334 -4.896 1.00 0.00 C ATOM 846 CG GLN A 52 -9.058 -1.770 -6.355 1.00 0.00 C ATOM 847 CD GLN A 52 -10.339 -1.462 -7.124 1.00 0.00 C ATOM 848 OE1 GLN A 52 -10.284 -1.023 -8.272 1.00 0.00 O ATOM 849 NE2 GLN A 52 -11.496 -1.666 -6.555 1.00 0.00 N ATOM 0 H GLN A 52 -7.025 -3.036 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.488 -0.212 -4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.830 -2.043 -4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.699 -0.365 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.215 -1.254 -6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.843 -2.837 -6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.539 -2.030 -5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.357 -1.461 -7.062 1.00 0.00 H new ATOM 858 N ASP A 53 -8.353 -0.899 -1.901 1.00 0.00 N ATOM 859 CA ASP A 53 -8.478 -1.265 -0.495 1.00 0.00 C ATOM 860 C ASP A 53 -9.710 -2.134 -0.267 1.00 0.00 C ATOM 861 O ASP A 53 -9.839 -2.790 0.766 1.00 0.00 O ATOM 862 CB ASP A 53 -8.591 -0.001 0.358 1.00 0.00 C ATOM 863 CG ASP A 53 -7.352 0.869 0.169 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.383 0.646 0.875 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.393 1.746 -0.678 1.00 0.00 O ATOM 0 H ASP A 53 -8.640 0.056 -2.117 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.591 -1.831 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.484 0.558 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.700 -0.270 1.409 1.00 0.00 H new ATOM 870 N SER A 54 -10.623 -2.118 -1.233 1.00 0.00 N ATOM 871 CA SER A 54 -11.856 -2.894 -1.125 1.00 0.00 C ATOM 872 C SER A 54 -11.722 -4.267 -1.782 1.00 0.00 C ATOM 873 O SER A 54 -12.721 -4.958 -1.982 1.00 0.00 O ATOM 874 CB SER A 54 -13.005 -2.129 -1.783 1.00 0.00 C ATOM 875 OG SER A 54 -14.223 -2.827 -1.558 1.00 0.00 O ATOM 0 H SER A 54 -10.535 -1.580 -2.095 1.00 0.00 H new ATOM 0 HA SER A 54 -12.061 -3.045 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.069 -1.121 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.823 -2.026 -2.853 1.00 0.00 H new ATOM 0 HG SER A 54 -14.071 -3.790 -1.655 1.00 0.00 H new ATOM 881 N LYS A 55 -10.495 -4.666 -2.118 1.00 0.00 N ATOM 882 CA LYS A 55 -10.278 -5.967 -2.752 1.00 0.00 C ATOM 883 C LYS A 55 -9.284 -6.799 -1.953 1.00 0.00 C ATOM 884 O LYS A 55 -8.320 -6.272 -1.398 1.00 0.00 O ATOM 885 CB LYS A 55 -9.752 -5.776 -4.176 1.00 0.00 C ATOM 886 CG LYS A 55 -10.769 -4.987 -5.007 1.00 0.00 C ATOM 887 CD LYS A 55 -12.075 -5.782 -5.128 1.00 0.00 C ATOM 888 CE LYS A 55 -12.806 -5.378 -6.412 1.00 0.00 C ATOM 889 NZ LYS A 55 -12.641 -3.914 -6.638 1.00 0.00 N ATOM 0 H LYS A 55 -9.649 -4.118 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.232 -6.493 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.799 -5.247 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.567 -6.746 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.963 -4.022 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.363 -4.785 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.862 -6.851 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.709 -5.593 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.408 -5.935 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.864 -5.628 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.363 -3.583 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.750 -3.409 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.695 -3.727 -7.027 1.00 0.00 H new ATOM 903 N THR A 56 -9.522 -8.108 -1.904 1.00 0.00 N ATOM 904 CA THR A 56 -8.637 -9.013 -1.175 1.00 0.00 C ATOM 905 C THR A 56 -7.758 -9.786 -2.153 1.00 0.00 C ATOM 906 O THR A 56 -7.794 -9.547 -3.358 1.00 0.00 O ATOM 907 CB THR A 56 -9.453 -9.990 -0.316 1.00 0.00 C ATOM 908 OG1 THR A 56 -8.827 -11.266 -0.315 1.00 0.00 O ATOM 909 CG2 THR A 56 -10.857 -10.115 -0.888 1.00 0.00 C ATOM 0 H THR A 56 -10.315 -8.563 -2.357 1.00 0.00 H new ATOM 0 HA THR A 56 -8.002 -8.420 -0.517 1.00 0.00 H new ATOM 0 HB THR A 56 -9.506 -9.614 0.706 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.488 -11.955 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.437 -10.808 -0.279 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.340 -9.138 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.801 -10.489 -1.910 1.00 0.00 H new ATOM 917 N VAL A 57 -6.969 -10.708 -1.622 1.00 0.00 N ATOM 918 CA VAL A 57 -6.077 -11.509 -2.451 1.00 0.00 C ATOM 919 C VAL A 57 -6.881 -12.400 -3.396 1.00 0.00 C ATOM 920 O VAL A 57 -6.454 -12.680 -4.516 1.00 0.00 O ATOM 921 CB VAL A 57 -5.170 -12.365 -1.549 1.00 0.00 C ATOM 922 CG1 VAL A 57 -4.793 -13.676 -2.252 1.00 0.00 C ATOM 923 CG2 VAL A 57 -3.896 -11.579 -1.214 1.00 0.00 C ATOM 0 H VAL A 57 -6.927 -10.921 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.459 -10.845 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.710 -12.603 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.152 -14.268 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.698 -14.240 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.262 -13.453 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.253 -12.184 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.367 -11.335 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.162 -10.659 -0.694 1.00 0.00 H new ATOM 933 N SER A 58 -8.043 -12.841 -2.935 1.00 0.00 N ATOM 934 CA SER A 58 -8.898 -13.700 -3.745 1.00 0.00 C ATOM 935 C SER A 58 -9.457 -12.936 -4.937 1.00 0.00 C ATOM 936 O SER A 58 -9.575 -13.477 -6.036 1.00 0.00 O ATOM 937 CB SER A 58 -10.052 -14.217 -2.895 1.00 0.00 C ATOM 938 OG SER A 58 -10.872 -15.070 -3.683 1.00 0.00 O ATOM 0 H SER A 58 -8.414 -12.621 -2.011 1.00 0.00 H new ATOM 0 HA SER A 58 -8.301 -14.535 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.668 -14.760 -2.031 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.639 -13.382 -2.512 1.00 0.00 H new ATOM 0 HG SER A 58 -11.614 -15.405 -3.138 1.00 0.00 H new ATOM 944 N GLU A 59 -9.804 -11.675 -4.708 1.00 0.00 N ATOM 945 CA GLU A 59 -10.357 -10.840 -5.765 1.00 0.00 C ATOM 946 C GLU A 59 -9.242 -10.235 -6.610 1.00 0.00 C ATOM 947 O GLU A 59 -9.396 -10.049 -7.816 1.00 0.00 O ATOM 948 CB GLU A 59 -11.201 -9.722 -5.153 1.00 0.00 C ATOM 949 CG GLU A 59 -12.516 -10.303 -4.627 1.00 0.00 C ATOM 950 CD GLU A 59 -13.396 -9.187 -4.076 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.830 -8.360 -4.862 1.00 0.00 O ATOM 952 OE2 GLU A 59 -13.625 -9.176 -2.878 1.00 0.00 O ATOM 0 H GLU A 59 -9.713 -11.211 -3.804 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.983 -11.461 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.654 -9.241 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.403 -8.954 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.038 -10.827 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.313 -11.036 -3.846 1.00 0.00 H new ATOM 959 N CYS A 60 -8.121 -9.929 -5.968 1.00 0.00 N ATOM 960 CA CYS A 60 -6.988 -9.345 -6.677 1.00 0.00 C ATOM 961 C CYS A 60 -6.392 -10.350 -7.658 1.00 0.00 C ATOM 962 O CYS A 60 -5.819 -9.971 -8.679 1.00 0.00 O ATOM 963 CB CYS A 60 -5.921 -8.895 -5.681 1.00 0.00 C ATOM 964 SG CYS A 60 -6.586 -7.561 -4.655 1.00 0.00 S ATOM 0 H CYS A 60 -7.972 -10.073 -4.969 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.342 -8.480 -7.237 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.615 -9.733 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.033 -8.553 -6.212 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.388 -8.059 -3.762 1.00 0.00 H new ATOM 970 N GLY A 61 -6.536 -11.636 -7.344 1.00 0.00 N ATOM 971 CA GLY A 61 -6.015 -12.690 -8.211 1.00 0.00 C ATOM 972 C GLY A 61 -4.680 -13.223 -7.696 1.00 0.00 C ATOM 973 O GLY A 61 -4.087 -14.117 -8.298 1.00 0.00 O ATOM 0 H GLY A 61 -7.005 -11.971 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.736 -13.505 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.889 -12.303 -9.222 1.00 0.00 H new ATOM 977 N LEU A 62 -4.212 -12.671 -6.581 1.00 0.00 N ATOM 978 CA LEU A 62 -2.948 -13.103 -6.004 1.00 0.00 C ATOM 979 C LEU A 62 -3.034 -14.550 -5.548 1.00 0.00 C ATOM 980 O LEU A 62 -4.075 -15.005 -5.072 1.00 0.00 O ATOM 981 CB LEU A 62 -2.587 -12.217 -4.811 1.00 0.00 C ATOM 982 CG LEU A 62 -2.140 -10.841 -5.304 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.377 -9.801 -4.208 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.650 -10.877 -5.656 1.00 0.00 C ATOM 0 H LEU A 62 -4.686 -11.930 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.177 -13.018 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.447 -12.115 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.791 -12.681 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.716 -10.574 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.058 -8.821 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.438 -9.769 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.805 -10.071 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.335 -9.894 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.074 -11.148 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.479 -11.614 -6.440 1.00 0.00 H new ATOM 996 N LYS A 63 -1.926 -15.262 -5.691 1.00 0.00 N ATOM 997 CA LYS A 63 -1.861 -16.660 -5.287 1.00 0.00 C ATOM 998 C LYS A 63 -0.736 -16.867 -4.276 1.00 0.00 C ATOM 999 O LYS A 63 -0.286 -15.916 -3.636 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.663 -17.555 -6.517 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.427 -17.107 -7.305 1.00 0.00 C ATOM 1002 CD LYS A 63 0.840 -17.652 -6.640 1.00 0.00 C ATOM 1003 CE LYS A 63 1.977 -17.709 -7.663 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.718 -18.812 -8.632 1.00 0.00 N ATOM 0 H LYS A 63 -1.059 -14.895 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.801 -16.936 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.548 -18.593 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.546 -17.510 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.491 -17.464 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.387 -16.019 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.124 -17.016 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.651 -18.647 -6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.054 -16.758 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.929 -17.871 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.619 -19.135 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.256 -19.604 -8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.098 -18.467 -9.393 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.294 -18.109 -4.125 1.00 0.00 N ATOM 1019 CA ASP A 64 0.768 -18.425 -3.176 1.00 0.00 C ATOM 1020 C ASP A 64 2.148 -18.204 -3.786 1.00 0.00 C ATOM 1021 O ASP A 64 2.478 -18.764 -4.830 1.00 0.00 O ATOM 1022 CB ASP A 64 0.640 -19.881 -2.723 1.00 0.00 C ATOM 1023 CG ASP A 64 0.482 -20.793 -3.935 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.589 -20.785 -4.521 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.433 -21.483 -4.261 1.00 0.00 O ATOM 0 H ASP A 64 -0.652 -18.911 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 64 0.662 -17.757 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.522 -20.171 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.219 -19.990 -2.061 1.00 0.00 H new ATOM 1030 N GLY A 65 2.957 -17.402 -3.103 1.00 0.00 N ATOM 1031 CA GLY A 65 4.319 -17.127 -3.560 1.00 0.00 C ATOM 1032 C GLY A 65 4.366 -16.100 -4.696 1.00 0.00 C ATOM 1033 O GLY A 65 5.434 -15.848 -5.256 1.00 0.00 O ATOM 0 H GLY A 65 2.698 -16.932 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.912 -16.762 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.779 -18.056 -3.896 1.00 0.00 H new ATOM 1037 N ASP A 66 3.225 -15.511 -5.045 1.00 0.00 N ATOM 1038 CA ASP A 66 3.200 -14.526 -6.126 1.00 0.00 C ATOM 1039 C ASP A 66 4.050 -13.306 -5.771 1.00 0.00 C ATOM 1040 O ASP A 66 4.736 -13.283 -4.747 1.00 0.00 O ATOM 1041 CB ASP A 66 1.756 -14.081 -6.419 1.00 0.00 C ATOM 1042 CG ASP A 66 1.516 -14.003 -7.926 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.482 -13.855 -8.655 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.366 -14.088 -8.327 1.00 0.00 O ATOM 0 H ASP A 66 2.322 -15.692 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 66 3.616 -14.998 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.054 -14.783 -5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.569 -13.108 -5.964 1.00 0.00 H new ATOM 1049 N GLN A 67 3.987 -12.289 -6.625 1.00 0.00 N ATOM 1050 CA GLN A 67 4.740 -11.057 -6.407 1.00 0.00 C ATOM 1051 C GLN A 67 3.854 -9.854 -6.700 1.00 0.00 C ATOM 1052 O GLN A 67 3.034 -9.891 -7.618 1.00 0.00 O ATOM 1053 CB GLN A 67 5.970 -11.026 -7.317 1.00 0.00 C ATOM 1054 CG GLN A 67 6.699 -12.368 -7.237 1.00 0.00 C ATOM 1055 CD GLN A 67 7.961 -12.329 -8.092 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.813 -11.462 -7.904 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.131 -13.223 -9.028 1.00 0.00 N ATOM 0 H GLN A 67 3.423 -12.293 -7.475 1.00 0.00 H new ATOM 0 HA GLN A 67 5.066 -11.020 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.670 -10.824 -8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.638 -10.219 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.958 -12.589 -6.202 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.043 -13.168 -7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.423 -13.941 -9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.972 -13.203 -9.605 1.00 0.00 H new ATOM 1066 N VAL A 68 4.005 -8.795 -5.911 1.00 0.00 N ATOM 1067 CA VAL A 68 3.189 -7.599 -6.097 1.00 0.00 C ATOM 1068 C VAL A 68 4.051 -6.344 -6.146 1.00 0.00 C ATOM 1069 O VAL A 68 4.732 -6.008 -5.180 1.00 0.00 O ATOM 1070 CB VAL A 68 2.187 -7.478 -4.944 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.965 -6.677 -5.401 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.752 -8.877 -4.501 1.00 0.00 C ATOM 0 H VAL A 68 4.676 -8.739 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 68 2.662 -7.693 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 68 2.658 -6.962 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.256 -6.594 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.279 -5.680 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.489 -7.186 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.039 -8.794 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.283 -9.394 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.624 -9.441 -4.168 1.00 0.00 H new ATOM 1082 N VAL A 69 3.994 -5.637 -7.263 1.00 0.00 N ATOM 1083 CA VAL A 69 4.752 -4.408 -7.395 1.00 0.00 C ATOM 1084 C VAL A 69 4.086 -3.334 -6.552 1.00 0.00 C ATOM 1085 O VAL A 69 2.864 -3.268 -6.488 1.00 0.00 O ATOM 1086 CB VAL A 69 4.801 -3.967 -8.859 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.694 -2.732 -8.991 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.373 -5.102 -9.712 1.00 0.00 C ATOM 0 H VAL A 69 3.438 -5.890 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 69 5.774 -4.570 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 69 3.794 -3.725 -9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.729 -2.418 -10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.289 -1.924 -8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.701 -2.973 -8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.409 -4.790 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.380 -5.342 -9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.738 -5.983 -9.618 1.00 0.00 H new ATOM 1098 N PHE A 70 4.885 -2.511 -5.893 1.00 0.00 N ATOM 1099 CA PHE A 70 4.340 -1.453 -5.042 1.00 0.00 C ATOM 1100 C PHE A 70 5.318 -0.286 -4.931 1.00 0.00 C ATOM 1101 O PHE A 70 6.459 -0.374 -5.385 1.00 0.00 O ATOM 1102 CB PHE A 70 4.033 -2.010 -3.646 1.00 0.00 C ATOM 1103 CG PHE A 70 5.257 -1.913 -2.764 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.299 -2.833 -2.910 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.346 -0.898 -1.803 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.433 -2.740 -2.094 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.479 -0.806 -0.988 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.523 -1.727 -1.133 1.00 0.00 C ATOM 0 H PHE A 70 5.904 -2.549 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 70 3.419 -1.088 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.208 -1.455 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.713 -3.049 -3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.230 -3.615 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.541 -0.187 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.239 -3.450 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.548 -0.024 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.398 -1.656 -0.503 1.00 0.00 H new ATOM 1118 N MET A 71 4.862 0.805 -4.323 1.00 0.00 N ATOM 1119 CA MET A 71 5.706 1.982 -4.158 1.00 0.00 C ATOM 1120 C MET A 71 5.172 2.877 -3.042 1.00 0.00 C ATOM 1121 O MET A 71 3.961 3.031 -2.883 1.00 0.00 O ATOM 1122 CB MET A 71 5.767 2.762 -5.474 1.00 0.00 C ATOM 1123 CG MET A 71 4.553 3.689 -5.593 1.00 0.00 C ATOM 1124 SD MET A 71 4.322 4.163 -7.325 1.00 0.00 S ATOM 1125 CE MET A 71 5.327 5.668 -7.287 1.00 0.00 C ATOM 0 H MET A 71 3.921 0.898 -3.940 1.00 0.00 H new ATOM 0 HA MET A 71 6.710 1.657 -3.885 1.00 0.00 H new ATOM 0 HB2 MET A 71 6.686 3.346 -5.517 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.790 2.070 -6.316 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.660 3.186 -5.220 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.699 4.577 -4.978 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.324 6.133 -8.273 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.913 6.364 -6.557 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.350 5.415 -7.008 1.00 0.00 H new ATOM 1135 N VAL A 72 6.084 3.467 -2.274 1.00 0.00 N ATOM 1136 CA VAL A 72 5.692 4.348 -1.178 1.00 0.00 C ATOM 1137 C VAL A 72 5.561 5.784 -1.670 1.00 0.00 C ATOM 1138 O VAL A 72 6.472 6.320 -2.301 1.00 0.00 O ATOM 1139 CB VAL A 72 6.730 4.285 -0.056 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.155 4.926 1.208 1.00 0.00 C ATOM 1141 CG2 VAL A 72 7.084 2.824 0.228 1.00 0.00 C ATOM 0 H VAL A 72 7.091 3.353 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 72 4.727 4.014 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 72 7.627 4.824 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.895 4.881 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.902 5.967 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.258 4.388 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.824 2.778 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.187 2.285 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.494 2.367 -0.673 1.00 0.00 H new ATOM 1151 N SER A 73 4.424 6.406 -1.376 1.00 0.00 N ATOM 1152 CA SER A 73 4.191 7.784 -1.795 1.00 0.00 C ATOM 1153 C SER A 73 4.817 8.756 -0.800 1.00 0.00 C ATOM 1154 O SER A 73 4.884 8.477 0.397 1.00 0.00 O ATOM 1155 CB SER A 73 2.690 8.055 -1.910 1.00 0.00 C ATOM 1156 OG SER A 73 2.488 9.335 -2.494 1.00 0.00 O ATOM 0 H SER A 73 3.656 5.983 -0.854 1.00 0.00 H new ATOM 0 HA SER A 73 4.655 7.931 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.215 7.286 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.225 8.014 -0.925 1.00 0.00 H new ATOM 0 HG SER A 73 1.527 9.512 -2.571 1.00 0.00 H new ATOM 1162 N GLN A 74 5.281 9.893 -1.306 1.00 0.00 N ATOM 1163 CA GLN A 74 5.910 10.898 -0.455 1.00 0.00 C ATOM 1164 C GLN A 74 4.901 11.495 0.524 1.00 0.00 C ATOM 1165 O GLN A 74 5.194 11.652 1.708 1.00 0.00 O ATOM 1166 CB GLN A 74 6.505 12.013 -1.319 1.00 0.00 C ATOM 1167 CG GLN A 74 7.527 12.805 -0.501 1.00 0.00 C ATOM 1168 CD GLN A 74 8.815 12.000 -0.353 1.00 0.00 C ATOM 1169 OE1 GLN A 74 9.442 12.023 0.705 1.00 0.00 O ATOM 1170 NE2 GLN A 74 9.249 11.288 -1.357 1.00 0.00 N ATOM 0 H GLN A 74 5.235 10.142 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 74 6.702 10.413 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.982 11.588 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.714 12.675 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.737 13.756 -0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.118 13.036 0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.727 11.271 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.110 10.749 -1.265 1.00 0.00 H new ATOM 1179 N LYS A 75 3.712 11.819 0.018 1.00 0.00 N ATOM 1180 CA LYS A 75 2.659 12.397 0.847 1.00 0.00 C ATOM 1181 C LYS A 75 3.249 13.250 1.970 1.00 0.00 C ATOM 1182 O LYS A 75 4.021 14.174 1.717 1.00 0.00 O ATOM 1183 CB LYS A 75 1.805 11.277 1.438 1.00 0.00 C ATOM 1184 CG LYS A 75 1.055 10.550 0.317 1.00 0.00 C ATOM 1185 CD LYS A 75 0.017 11.487 -0.317 1.00 0.00 C ATOM 1186 CE LYS A 75 -1.139 10.662 -0.890 1.00 0.00 C ATOM 1187 NZ LYS A 75 -1.959 11.517 -1.793 1.00 0.00 N ATOM 0 H LYS A 75 3.455 11.691 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 75 2.040 13.042 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.436 10.574 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.095 11.688 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.760 10.209 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.561 9.663 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.358 12.188 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.481 12.079 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.751 9.804 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.757 10.271 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.744 10.957 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.340 12.322 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.366 11.869 -2.571 1.00 0.00 H new ATOM 1201 N LYS A 76 2.883 12.933 3.209 1.00 0.00 N ATOM 1202 CA LYS A 76 3.385 13.676 4.360 1.00 0.00 C ATOM 1203 C LYS A 76 4.618 12.989 4.942 1.00 0.00 C ATOM 1204 O LYS A 76 4.553 11.840 5.378 1.00 0.00 O ATOM 1205 CB LYS A 76 2.296 13.777 5.433 1.00 0.00 C ATOM 1206 CG LYS A 76 1.528 12.457 5.510 1.00 0.00 C ATOM 1207 CD LYS A 76 0.706 12.419 6.800 1.00 0.00 C ATOM 1208 CE LYS A 76 -0.224 11.204 6.781 1.00 0.00 C ATOM 1209 NZ LYS A 76 -0.710 10.929 8.163 1.00 0.00 N ATOM 0 H LYS A 76 2.245 12.172 3.441 1.00 0.00 H new ATOM 0 HA LYS A 76 3.662 14.678 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.744 14.006 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.613 14.593 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.872 12.355 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.223 11.618 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.369 12.369 7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.123 13.335 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.068 11.389 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.304 10.334 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.418 9.973 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.304 11.627 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.748 10.995 8.186 1.00 0.00 H new ATOM 1223 N SER A 77 5.740 13.700 4.942 1.00 0.00 N ATOM 1224 CA SER A 77 6.982 13.148 5.471 1.00 0.00 C ATOM 1225 C SER A 77 8.037 14.240 5.611 1.00 0.00 C ATOM 1226 O SER A 77 8.581 14.723 4.618 1.00 0.00 O ATOM 1227 CB SER A 77 7.501 12.050 4.542 1.00 0.00 C ATOM 1228 OG SER A 77 8.697 11.505 5.082 1.00 0.00 O ATOM 0 H SER A 77 5.816 14.652 4.585 1.00 0.00 H new ATOM 0 HA SER A 77 6.781 12.726 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.750 11.268 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.689 12.457 3.549 1.00 0.00 H new ATOM 0 HG SER A 77 9.032 10.800 4.490 1.00 0.00 H new ATOM 1234 N THR A 78 8.323 14.624 6.851 1.00 0.00 N ATOM 1235 CA THR A 78 9.316 15.659 7.111 1.00 0.00 C ATOM 1236 C THR A 78 10.725 15.079 7.047 1.00 0.00 C ATOM 1237 O THR A 78 11.371 15.030 8.081 1.00 0.00 O ATOM 1238 CB THR A 78 9.077 16.276 8.490 1.00 0.00 C ATOM 1239 OG1 THR A 78 7.696 16.574 8.641 1.00 0.00 O ATOM 1240 CG2 THR A 78 9.897 17.561 8.625 1.00 0.00 C ATOM 0 H THR A 78 7.884 14.237 7.686 1.00 0.00 H new ATOM 0 HA THR A 78 9.219 16.430 6.347 1.00 0.00 H new ATOM 0 HB THR A 78 9.383 15.570 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.541 16.968 9.525 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.726 18.000 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.956 17.331 8.510 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.594 18.269 7.854 1.00 0.00 H new TER 1248 THR A 78