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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= -0.0162 (180deg=-0.341) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0588) USER MOD Single : A 8 ASN : amide:sc= -10.9! K(o=-11!,f=-0.27) 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+ -171:sc= 0 (180deg=-0.0264) USER MOD Single : A 21 SER OG : rot 180:sc=0.000305 USER MOD Single : A 22 ASN : amide:sc= -0.513 K(o=-0.51,f=-4.7!) USER MOD Single : A 23 THR OG1 : rot 95:sc= 0.957 USER MOD Single : A 27 THR OG1 : rot -59:sc= -0.921 USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= 0.859 (180deg=0.115) USER MOD Single : A 29 THR OG1 : rot 46:sc= 0.968 USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.0207 (180deg=-0.227) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 34 SER OG : rot 170:sc= 0 USER MOD Single : A 36 SER OG : rot -82:sc= 0.736 USER MOD Single : A 37 CYS SG : rot 180:sc= -1 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -6.76! C(o=-6.8!,f=-7.6!) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.134 (180deg=-0.861) 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+ -170:sc= -2.66! (180deg=-3.33!) USER MOD Single : A 52 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 131:sc= -0.0777 (180deg=-0.578) 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 24:sc= -6.29! USER MOD Single : A 63 LYS NZ :NH3+ -115:sc= 0.698 (180deg=-3.93!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.067 USER MOD Single : A 74 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (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 -1.452 -20.925 3.771 1.00 0.00 N ATOM 2 CA MET A 1 -1.212 -19.457 3.689 1.00 0.00 C ATOM 3 C MET A 1 -0.466 -19.139 2.399 1.00 0.00 C ATOM 4 O MET A 1 0.364 -19.925 1.939 1.00 0.00 O ATOM 5 CB MET A 1 -0.384 -19.010 4.896 1.00 0.00 C ATOM 6 CG MET A 1 -1.257 -19.041 6.152 1.00 0.00 C ATOM 7 SD MET A 1 -0.218 -18.802 7.615 1.00 0.00 S ATOM 8 CE MET A 1 0.140 -20.548 7.928 1.00 0.00 C ATOM 0 H1 MET A 1 -2.475 -21.111 3.748 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.996 -21.397 2.964 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.053 -21.293 4.658 1.00 0.00 H new ATOM 0 HA MET A 1 -2.164 -18.926 3.692 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.478 -19.666 5.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.002 -18.004 4.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.016 -18.260 6.100 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.784 -19.993 6.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.781 -20.636 8.805 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.792 -21.085 8.104 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.648 -20.976 7.064 1.00 0.00 H new ATOM 20 N VAL A 2 -0.766 -17.981 1.816 1.00 0.00 N ATOM 21 CA VAL A 2 -0.117 -17.563 0.575 1.00 0.00 C ATOM 22 C VAL A 2 0.978 -16.548 0.865 1.00 0.00 C ATOM 23 O VAL A 2 0.761 -15.551 1.551 1.00 0.00 O ATOM 24 CB VAL A 2 -1.161 -16.986 -0.405 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.532 -16.917 0.272 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.764 -15.578 -0.873 1.00 0.00 C ATOM 0 H VAL A 2 -1.450 -17.318 2.180 1.00 0.00 H new ATOM 0 HA VAL A 2 0.344 -18.433 0.108 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.205 -17.646 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.263 -16.509 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.839 -17.918 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.472 -16.275 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.518 -15.198 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.693 -14.915 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.201 -15.621 -1.379 1.00 0.00 H new ATOM 36 N SER A 3 2.152 -16.820 0.318 1.00 0.00 N ATOM 37 CA SER A 3 3.303 -15.943 0.486 1.00 0.00 C ATOM 38 C SER A 3 3.488 -15.110 -0.771 1.00 0.00 C ATOM 39 O SER A 3 3.336 -15.612 -1.882 1.00 0.00 O ATOM 40 CB SER A 3 4.560 -16.771 0.748 1.00 0.00 C ATOM 41 OG SER A 3 4.880 -17.519 -0.418 1.00 0.00 O ATOM 0 H SER A 3 2.335 -17.647 -0.250 1.00 0.00 H new ATOM 0 HA SER A 3 3.132 -15.285 1.338 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.391 -16.118 1.015 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.398 -17.442 1.592 1.00 0.00 H new ATOM 0 HG SER A 3 5.687 -18.050 -0.255 1.00 0.00 H new ATOM 47 N LEU A 4 3.800 -13.834 -0.597 1.00 0.00 N ATOM 48 CA LEU A 4 3.984 -12.949 -1.738 1.00 0.00 C ATOM 49 C LEU A 4 5.260 -12.142 -1.605 1.00 0.00 C ATOM 50 O LEU A 4 5.964 -12.226 -0.600 1.00 0.00 O ATOM 51 CB LEU A 4 2.796 -11.997 -1.853 1.00 0.00 C ATOM 52 CG LEU A 4 1.513 -12.813 -2.006 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.301 -11.885 -1.901 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.507 -13.529 -3.364 1.00 0.00 C ATOM 0 H LEU A 4 3.930 -13.392 0.313 1.00 0.00 H new ATOM 0 HA LEU A 4 4.054 -13.566 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.735 -11.363 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.926 -11.336 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 4 1.465 -13.560 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.614 -12.468 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.303 -11.392 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.349 -11.133 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.589 -14.109 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.561 -12.791 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.367 -14.196 -3.427 1.00 0.00 H new ATOM 66 N THR A 5 5.544 -11.358 -2.633 1.00 0.00 N ATOM 67 CA THR A 5 6.741 -10.519 -2.644 1.00 0.00 C ATOM 68 C THR A 5 6.389 -9.084 -3.010 1.00 0.00 C ATOM 69 O THR A 5 6.004 -8.800 -4.144 1.00 0.00 O ATOM 70 CB THR A 5 7.765 -11.057 -3.651 1.00 0.00 C ATOM 71 OG1 THR A 5 8.504 -12.112 -3.052 1.00 0.00 O ATOM 72 CG2 THR A 5 8.724 -9.932 -4.070 1.00 0.00 C ATOM 0 H THR A 5 4.966 -11.282 -3.470 1.00 0.00 H new ATOM 0 HA THR A 5 7.171 -10.539 -1.643 1.00 0.00 H new ATOM 0 HB THR A 5 7.243 -11.429 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.158 -12.459 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.449 -10.320 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.157 -9.123 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.247 -9.554 -3.192 1.00 0.00 H new ATOM 80 N PHE A 6 6.539 -8.180 -2.051 1.00 0.00 N ATOM 81 CA PHE A 6 6.250 -6.775 -2.300 1.00 0.00 C ATOM 82 C PHE A 6 7.519 -6.049 -2.735 1.00 0.00 C ATOM 83 O PHE A 6 8.465 -5.915 -1.959 1.00 0.00 O ATOM 84 CB PHE A 6 5.688 -6.126 -1.038 1.00 0.00 C ATOM 85 CG PHE A 6 4.262 -6.574 -0.837 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.991 -7.899 -0.480 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.213 -5.665 -1.003 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.668 -8.315 -0.292 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.891 -6.080 -0.813 1.00 0.00 C ATOM 90 CZ PHE A 6 1.619 -7.405 -0.458 1.00 0.00 C ATOM 0 H PHE A 6 6.855 -8.391 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 6 5.510 -6.704 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.293 -6.402 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.731 -5.040 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.802 -8.600 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.423 -4.642 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.457 -9.338 -0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.081 -5.378 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.598 -7.726 -0.312 1.00 0.00 H new ATOM 100 N LYS A 7 7.537 -5.588 -3.984 1.00 0.00 N ATOM 101 CA LYS A 7 8.702 -4.885 -4.516 1.00 0.00 C ATOM 102 C LYS A 7 8.502 -3.374 -4.457 1.00 0.00 C ATOM 103 O LYS A 7 7.436 -2.860 -4.792 1.00 0.00 O ATOM 104 CB LYS A 7 8.950 -5.306 -5.968 1.00 0.00 C ATOM 105 CG LYS A 7 9.661 -6.666 -6.003 1.00 0.00 C ATOM 106 CD LYS A 7 11.180 -6.463 -5.913 1.00 0.00 C ATOM 107 CE LYS A 7 11.756 -6.234 -7.312 1.00 0.00 C ATOM 108 NZ LYS A 7 11.873 -7.540 -8.021 1.00 0.00 N ATOM 0 H LYS A 7 6.764 -5.688 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 7 9.564 -5.149 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.003 -5.367 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.557 -4.556 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.318 -7.287 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.410 -7.194 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.405 -5.610 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.646 -7.336 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.113 -5.558 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.734 -5.758 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.459 -7.422 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.315 -8.239 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.926 -7.872 -8.296 1.00 0.00 H new ATOM 122 N ASN A 8 9.548 -2.672 -4.038 1.00 0.00 N ATOM 123 CA ASN A 8 9.503 -1.215 -3.940 1.00 0.00 C ATOM 124 C ASN A 8 10.365 -0.582 -5.028 1.00 0.00 C ATOM 125 O ASN A 8 10.791 -1.256 -5.966 1.00 0.00 O ATOM 126 CB ASN A 8 10.005 -0.768 -2.562 1.00 0.00 C ATOM 127 CG ASN A 8 11.251 -1.558 -2.180 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.503 -1.787 -0.997 1.00 0.00 O ATOM 129 ND2 ASN A 8 12.051 -1.990 -3.115 1.00 0.00 N ATOM 0 H ASN A 8 10.438 -3.086 -3.760 1.00 0.00 H new ATOM 0 HA ASN A 8 8.471 -0.890 -4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.231 0.298 -2.576 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.225 -0.919 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.887 -2.519 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.840 -1.799 -4.095 1.00 0.00 H new ATOM 136 N PHE A 9 10.619 0.716 -4.895 1.00 0.00 N ATOM 137 CA PHE A 9 11.434 1.430 -5.872 1.00 0.00 C ATOM 138 C PHE A 9 12.917 1.194 -5.602 1.00 0.00 C ATOM 139 O PHE A 9 13.776 1.637 -6.366 1.00 0.00 O ATOM 140 CB PHE A 9 11.134 2.927 -5.800 1.00 0.00 C ATOM 141 CG PHE A 9 11.575 3.598 -7.081 1.00 0.00 C ATOM 142 CD1 PHE A 9 10.841 3.410 -8.258 1.00 0.00 C ATOM 143 CD2 PHE A 9 12.718 4.407 -7.090 1.00 0.00 C ATOM 144 CE1 PHE A 9 11.248 4.031 -9.444 1.00 0.00 C ATOM 145 CE2 PHE A 9 13.125 5.027 -8.277 1.00 0.00 C ATOM 146 CZ PHE A 9 12.391 4.840 -9.455 1.00 0.00 C ATOM 0 H PHE A 9 10.275 1.292 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 9 11.192 1.057 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.067 3.087 -5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.651 3.371 -4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.960 2.785 -8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.285 4.552 -6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.680 3.886 -10.351 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.007 5.651 -8.285 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.706 5.319 -10.370 1.00 0.00 H new ATOM 156 N LYS A 10 13.209 0.486 -4.516 1.00 0.00 N ATOM 157 CA LYS A 10 14.589 0.185 -4.153 1.00 0.00 C ATOM 158 C LYS A 10 14.983 -1.171 -4.718 1.00 0.00 C ATOM 159 O LYS A 10 16.044 -1.708 -4.402 1.00 0.00 O ATOM 160 CB LYS A 10 14.740 0.169 -2.630 1.00 0.00 C ATOM 161 CG LYS A 10 14.249 1.500 -2.047 1.00 0.00 C ATOM 162 CD LYS A 10 15.228 2.633 -2.406 1.00 0.00 C ATOM 163 CE LYS A 10 14.578 3.582 -3.417 1.00 0.00 C ATOM 164 NZ LYS A 10 15.587 4.568 -3.895 1.00 0.00 N ATOM 0 H LYS A 10 12.511 0.111 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 10 15.240 0.955 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.168 -0.657 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.783 0.006 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.257 1.731 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.157 1.419 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.508 3.182 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.144 2.215 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.180 3.016 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.737 4.101 -2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.145 5.212 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.946 5.116 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.375 4.065 -4.350 1.00 0.00 H new ATOM 178 N LYS A 11 14.108 -1.717 -5.554 1.00 0.00 N ATOM 179 CA LYS A 11 14.349 -3.016 -6.169 1.00 0.00 C ATOM 180 C LYS A 11 14.509 -4.097 -5.103 1.00 0.00 C ATOM 181 O LYS A 11 15.155 -5.119 -5.334 1.00 0.00 O ATOM 182 CB LYS A 11 15.606 -2.965 -7.045 1.00 0.00 C ATOM 183 CG LYS A 11 15.434 -1.905 -8.150 1.00 0.00 C ATOM 184 CD LYS A 11 16.352 -0.706 -7.881 1.00 0.00 C ATOM 185 CE LYS A 11 17.783 -1.045 -8.312 1.00 0.00 C ATOM 186 NZ LYS A 11 18.733 -0.093 -7.671 1.00 0.00 N ATOM 0 H LYS A 11 13.226 -1.280 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 11 13.488 -3.261 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.476 -2.727 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.788 -3.942 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.668 -2.341 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.396 -1.576 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.995 0.167 -8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.332 -0.451 -6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.028 -2.068 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.871 -0.988 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.704 -0.322 -7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.503 0.878 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.655 -0.169 -6.637 1.00 0.00 H new ATOM 200 N GLU A 12 13.911 -3.866 -3.937 1.00 0.00 N ATOM 201 CA GLU A 12 13.985 -4.827 -2.838 1.00 0.00 C ATOM 202 C GLU A 12 12.633 -5.500 -2.631 1.00 0.00 C ATOM 203 O GLU A 12 11.587 -4.881 -2.822 1.00 0.00 O ATOM 204 CB GLU A 12 14.403 -4.116 -1.547 1.00 0.00 C ATOM 205 CG GLU A 12 15.804 -3.521 -1.716 1.00 0.00 C ATOM 206 CD GLU A 12 16.422 -3.244 -0.349 1.00 0.00 C ATOM 207 OE1 GLU A 12 16.230 -4.055 0.542 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.079 -2.225 -0.214 1.00 0.00 O ATOM 0 H GLU A 12 13.372 -3.026 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 12 14.726 -5.585 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.689 -3.328 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.394 -4.819 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.435 -4.210 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.749 -2.598 -2.293 1.00 0.00 H new ATOM 215 N LYS A 13 12.660 -6.774 -2.245 1.00 0.00 N ATOM 216 CA LYS A 13 11.430 -7.526 -2.023 1.00 0.00 C ATOM 217 C LYS A 13 11.161 -7.696 -0.531 1.00 0.00 C ATOM 218 O LYS A 13 12.064 -8.005 0.246 1.00 0.00 O ATOM 219 CB LYS A 13 11.545 -8.908 -2.677 1.00 0.00 C ATOM 220 CG LYS A 13 12.998 -9.404 -2.594 1.00 0.00 C ATOM 221 CD LYS A 13 13.777 -8.959 -3.839 1.00 0.00 C ATOM 222 CE LYS A 13 13.560 -9.965 -4.975 1.00 0.00 C ATOM 223 NZ LYS A 13 14.445 -11.146 -4.767 1.00 0.00 N ATOM 0 H LYS A 13 13.516 -7.304 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 13 10.603 -6.972 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.881 -9.613 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.228 -8.855 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.475 -9.010 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.016 -10.491 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.447 -7.968 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.839 -8.883 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.517 -10.279 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.778 -9.498 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.414 -11.756 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.421 -10.825 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.119 -11.683 -3.938 1.00 0.00 H new ATOM 237 N VAL A 14 9.902 -7.504 -0.144 1.00 0.00 N ATOM 238 CA VAL A 14 9.498 -7.649 1.252 1.00 0.00 C ATOM 239 C VAL A 14 8.462 -8.768 1.370 1.00 0.00 C ATOM 240 O VAL A 14 7.263 -8.531 1.212 1.00 0.00 O ATOM 241 CB VAL A 14 8.896 -6.335 1.763 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.868 -6.344 3.292 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.749 -5.161 1.278 1.00 0.00 C ATOM 0 H VAL A 14 9.145 -7.248 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 14 10.373 -7.897 1.853 1.00 0.00 H new ATOM 0 HB VAL A 14 7.880 -6.231 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.440 -5.409 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.261 -7.180 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.883 -6.450 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.322 -4.226 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.765 -5.268 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.769 -5.152 0.188 1.00 0.00 H new ATOM 253 N PRO A 15 8.901 -9.977 1.621 1.00 0.00 N ATOM 254 CA PRO A 15 7.990 -11.154 1.742 1.00 0.00 C ATOM 255 C PRO A 15 6.856 -10.927 2.736 1.00 0.00 C ATOM 256 O PRO A 15 7.057 -10.353 3.807 1.00 0.00 O ATOM 257 CB PRO A 15 8.904 -12.287 2.212 1.00 0.00 C ATOM 258 CG PRO A 15 10.279 -11.889 1.788 1.00 0.00 C ATOM 259 CD PRO A 15 10.310 -10.359 1.813 1.00 0.00 C ATOM 0 HA PRO A 15 7.490 -11.365 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.848 -12.414 3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.614 -13.237 1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.029 -12.304 2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.503 -12.266 0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.702 -9.982 2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.945 -9.959 1.022 1.00 0.00 H new ATOM 267 N LEU A 16 5.671 -11.396 2.367 1.00 0.00 N ATOM 268 CA LEU A 16 4.489 -11.261 3.214 1.00 0.00 C ATOM 269 C LEU A 16 3.557 -12.456 3.031 1.00 0.00 C ATOM 270 O LEU A 16 3.337 -12.919 1.914 1.00 0.00 O ATOM 271 CB LEU A 16 3.724 -9.983 2.846 1.00 0.00 C ATOM 272 CG LEU A 16 4.368 -8.764 3.512 1.00 0.00 C ATOM 273 CD1 LEU A 16 4.001 -7.496 2.731 1.00 0.00 C ATOM 274 CD2 LEU A 16 3.857 -8.633 4.951 1.00 0.00 C ATOM 0 H LEU A 16 5.501 -11.876 1.483 1.00 0.00 H new ATOM 0 HA LEU A 16 4.820 -11.214 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.719 -9.854 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.684 -10.071 3.161 1.00 0.00 H new ATOM 0 HG LEU A 16 5.451 -8.890 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.461 -6.630 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.363 -7.582 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.918 -7.374 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.317 -7.765 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.774 -8.510 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.116 -9.531 5.512 1.00 0.00 H new ATOM 286 N ASP A 17 2.991 -12.931 4.137 1.00 0.00 N ATOM 287 CA ASP A 17 2.055 -14.053 4.091 1.00 0.00 C ATOM 288 C ASP A 17 0.669 -13.577 4.499 1.00 0.00 C ATOM 289 O ASP A 17 0.512 -12.910 5.522 1.00 0.00 O ATOM 290 CB ASP A 17 2.502 -15.168 5.031 1.00 0.00 C ATOM 291 CG ASP A 17 3.923 -15.605 4.690 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.848 -14.980 5.182 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.066 -16.557 3.941 1.00 0.00 O ATOM 0 H ASP A 17 3.162 -12.560 5.072 1.00 0.00 H new ATOM 0 HA ASP A 17 2.030 -14.441 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.458 -14.823 6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.823 -16.017 4.949 1.00 0.00 H new ATOM 298 N LEU A 18 -0.329 -13.907 3.690 1.00 0.00 N ATOM 299 CA LEU A 18 -1.700 -13.485 3.971 1.00 0.00 C ATOM 300 C LEU A 18 -2.698 -14.605 3.715 1.00 0.00 C ATOM 301 O LEU A 18 -2.322 -15.735 3.405 1.00 0.00 O ATOM 302 CB LEU A 18 -2.055 -12.290 3.086 1.00 0.00 C ATOM 303 CG LEU A 18 -1.261 -11.052 3.534 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.414 -10.535 2.370 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.235 -9.962 3.985 1.00 0.00 C ATOM 0 H LEU A 18 -0.220 -14.461 2.840 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.756 -13.212 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.831 -12.519 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.124 -12.088 3.145 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.605 -11.320 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.148 -9.658 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.279 -11.313 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.065 -10.265 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.675 -9.083 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.891 -9.694 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.834 -10.331 4.817 1.00 0.00 H new ATOM 317 N GLU A 19 -3.982 -14.269 3.850 1.00 0.00 N ATOM 318 CA GLU A 19 -5.054 -15.234 3.635 1.00 0.00 C ATOM 319 C GLU A 19 -6.028 -14.710 2.578 1.00 0.00 C ATOM 320 O GLU A 19 -6.169 -13.500 2.404 1.00 0.00 O ATOM 321 CB GLU A 19 -5.798 -15.466 4.953 1.00 0.00 C ATOM 322 CG GLU A 19 -4.914 -16.280 5.898 1.00 0.00 C ATOM 323 CD GLU A 19 -5.615 -16.464 7.239 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.814 -16.692 7.232 1.00 0.00 O ATOM 325 OE2 GLU A 19 -4.943 -16.375 8.254 1.00 0.00 O ATOM 0 H GLU A 19 -4.302 -13.335 4.107 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.627 -16.174 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.056 -14.511 5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.734 -15.994 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.694 -17.252 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.960 -15.773 6.044 1.00 0.00 H new ATOM 332 N PRO A 20 -6.703 -15.587 1.877 1.00 0.00 N ATOM 333 CA PRO A 20 -7.681 -15.186 0.828 1.00 0.00 C ATOM 334 C PRO A 20 -8.657 -14.136 1.343 1.00 0.00 C ATOM 335 O PRO A 20 -9.188 -13.333 0.576 1.00 0.00 O ATOM 336 CB PRO A 20 -8.423 -16.486 0.472 1.00 0.00 C ATOM 337 CG PRO A 20 -7.929 -17.541 1.418 1.00 0.00 C ATOM 338 CD PRO A 20 -6.611 -17.044 2.005 1.00 0.00 C ATOM 0 HA PRO A 20 -7.186 -14.735 -0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.501 -16.355 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.228 -16.772 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.658 -17.720 2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.785 -18.487 0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.496 -17.348 3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.755 -17.441 1.460 1.00 0.00 H new ATOM 346 N SER A 21 -8.897 -14.162 2.648 1.00 0.00 N ATOM 347 CA SER A 21 -9.825 -13.214 3.260 1.00 0.00 C ATOM 348 C SER A 21 -9.148 -11.872 3.514 1.00 0.00 C ATOM 349 O SER A 21 -9.799 -10.827 3.481 1.00 0.00 O ATOM 350 CB SER A 21 -10.355 -13.778 4.578 1.00 0.00 C ATOM 351 OG SER A 21 -9.259 -14.092 5.429 1.00 0.00 O ATOM 0 H SER A 21 -8.468 -14.820 3.298 1.00 0.00 H new ATOM 0 HA SER A 21 -10.654 -13.058 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.009 -13.052 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.953 -14.670 4.391 1.00 0.00 H new ATOM 0 HG SER A 21 -9.595 -14.452 6.276 1.00 0.00 H new ATOM 357 N ASN A 22 -7.841 -11.897 3.746 1.00 0.00 N ATOM 358 CA ASN A 22 -7.107 -10.664 3.976 1.00 0.00 C ATOM 359 C ASN A 22 -7.163 -9.822 2.713 1.00 0.00 C ATOM 360 O ASN A 22 -7.074 -10.352 1.606 1.00 0.00 O ATOM 361 CB ASN A 22 -5.654 -10.967 4.336 1.00 0.00 C ATOM 362 CG ASN A 22 -5.553 -11.390 5.798 1.00 0.00 C ATOM 363 OD1 ASN A 22 -5.041 -12.468 6.099 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.016 -10.601 6.729 1.00 0.00 N ATOM 0 H ASN A 22 -7.276 -12.746 3.779 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.558 -10.121 4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.269 -11.759 3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.037 -10.086 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.954 -10.877 7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.440 -9.708 6.477 1.00 0.00 H new ATOM 371 N THR A 23 -7.338 -8.518 2.876 1.00 0.00 N ATOM 372 CA THR A 23 -7.434 -7.635 1.720 1.00 0.00 C ATOM 373 C THR A 23 -6.343 -6.576 1.716 1.00 0.00 C ATOM 374 O THR A 23 -5.658 -6.350 2.714 1.00 0.00 O ATOM 375 CB THR A 23 -8.814 -6.967 1.686 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.675 -5.600 1.324 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.466 -7.069 3.062 1.00 0.00 C ATOM 0 H THR A 23 -7.415 -8.053 3.781 1.00 0.00 H new ATOM 0 HA THR A 23 -7.299 -8.246 0.828 1.00 0.00 H new ATOM 0 HB THR A 23 -9.441 -7.472 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.811 -5.502 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.447 -6.594 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.578 -8.118 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.839 -6.568 3.800 1.00 0.00 H new ATOM 385 N ILE A 24 -6.196 -5.942 0.560 1.00 0.00 N ATOM 386 CA ILE A 24 -5.203 -4.909 0.357 1.00 0.00 C ATOM 387 C ILE A 24 -5.061 -4.018 1.576 1.00 0.00 C ATOM 388 O ILE A 24 -3.956 -3.633 1.937 1.00 0.00 O ATOM 389 CB ILE A 24 -5.612 -4.069 -0.853 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.881 -4.970 -2.069 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.511 -3.075 -1.183 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.865 -6.113 -2.123 1.00 0.00 C ATOM 0 H ILE A 24 -6.767 -6.134 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.237 -5.384 0.186 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.527 -3.530 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.891 -5.376 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.825 -4.382 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.806 -2.478 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.345 -2.419 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.591 -3.613 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.070 -6.741 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.859 -5.702 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.942 -6.711 -1.215 1.00 0.00 H new ATOM 404 N LEU A 25 -6.167 -3.690 2.212 1.00 0.00 N ATOM 405 CA LEU A 25 -6.096 -2.847 3.391 1.00 0.00 C ATOM 406 C LEU A 25 -5.116 -3.459 4.381 1.00 0.00 C ATOM 407 O LEU A 25 -4.236 -2.784 4.915 1.00 0.00 O ATOM 408 CB LEU A 25 -7.476 -2.728 4.039 1.00 0.00 C ATOM 409 CG LEU A 25 -7.480 -1.553 5.018 1.00 0.00 C ATOM 410 CD1 LEU A 25 -8.922 -1.223 5.409 1.00 0.00 C ATOM 411 CD2 LEU A 25 -6.667 -1.902 6.277 1.00 0.00 C ATOM 0 H LEU A 25 -7.105 -3.985 1.942 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.758 -1.852 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.238 -2.580 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.725 -3.652 4.562 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.023 -0.688 4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.927 -0.386 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.489 -0.956 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.379 -2.092 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.679 -1.056 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.107 -2.772 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.638 -2.126 5.995 1.00 0.00 H new ATOM 423 N GLU A 26 -5.291 -4.750 4.613 1.00 0.00 N ATOM 424 CA GLU A 26 -4.441 -5.488 5.539 1.00 0.00 C ATOM 425 C GLU A 26 -3.021 -5.655 5.002 1.00 0.00 C ATOM 426 O GLU A 26 -2.056 -5.458 5.741 1.00 0.00 O ATOM 427 CB GLU A 26 -5.046 -6.864 5.821 1.00 0.00 C ATOM 428 CG GLU A 26 -6.365 -6.697 6.577 1.00 0.00 C ATOM 429 CD GLU A 26 -6.093 -6.282 8.018 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.849 -7.160 8.830 1.00 0.00 O ATOM 431 OE2 GLU A 26 -6.130 -5.093 8.289 1.00 0.00 O ATOM 0 H GLU A 26 -6.018 -5.313 4.171 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.385 -4.910 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.216 -7.397 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.352 -7.465 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.983 -5.946 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.925 -7.632 6.559 1.00 0.00 H new ATOM 438 N THR A 27 -2.871 -6.008 3.725 1.00 0.00 N ATOM 439 CA THR A 27 -1.532 -6.165 3.179 1.00 0.00 C ATOM 440 C THR A 27 -0.818 -4.827 3.284 1.00 0.00 C ATOM 441 O THR A 27 0.340 -4.750 3.693 1.00 0.00 O ATOM 442 CB THR A 27 -1.604 -6.666 1.726 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.753 -7.793 1.581 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.167 -5.574 0.750 1.00 0.00 C ATOM 0 H THR A 27 -3.634 -6.185 3.072 1.00 0.00 H new ATOM 0 HA THR A 27 -0.971 -6.911 3.742 1.00 0.00 H new ATOM 0 HB THR A 27 -2.635 -6.938 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.166 -7.541 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.227 -5.953 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.822 -4.709 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.140 -5.280 0.968 1.00 0.00 H new ATOM 452 N LYS A 28 -1.545 -3.774 2.944 1.00 0.00 N ATOM 453 CA LYS A 28 -1.011 -2.427 3.033 1.00 0.00 C ATOM 454 C LYS A 28 -0.645 -2.113 4.479 1.00 0.00 C ATOM 455 O LYS A 28 0.372 -1.474 4.742 1.00 0.00 O ATOM 456 CB LYS A 28 -2.051 -1.420 2.546 1.00 0.00 C ATOM 457 CG LYS A 28 -2.065 -1.384 1.014 1.00 0.00 C ATOM 458 CD LYS A 28 -2.615 -0.040 0.540 1.00 0.00 C ATOM 459 CE LYS A 28 -4.129 0.036 0.789 1.00 0.00 C ATOM 460 NZ LYS A 28 -4.437 1.258 1.585 1.00 0.00 N ATOM 0 H LYS A 28 -2.505 -3.828 2.604 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.121 -2.358 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.037 -1.693 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.823 -0.429 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.057 -1.533 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.679 -2.197 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.112 0.772 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.407 0.091 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.664 0.062 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.467 -0.853 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.698 0.985 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.600 1.874 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.229 1.769 1.144 1.00 0.00 H new ATOM 474 N THR A 29 -1.483 -2.565 5.414 1.00 0.00 N ATOM 475 CA THR A 29 -1.236 -2.324 6.823 1.00 0.00 C ATOM 476 C THR A 29 0.085 -2.948 7.245 1.00 0.00 C ATOM 477 O THR A 29 1.007 -2.248 7.665 1.00 0.00 O ATOM 478 CB THR A 29 -2.379 -2.909 7.651 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.574 -2.190 7.382 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.040 -2.803 9.131 1.00 0.00 C ATOM 0 H THR A 29 -2.331 -3.096 5.216 1.00 0.00 H new ATOM 0 HA THR A 29 -1.180 -1.249 6.993 1.00 0.00 H new ATOM 0 HB THR A 29 -2.521 -3.957 7.387 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.671 -2.068 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.855 -3.220 9.722 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.124 -3.357 9.335 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.898 -1.756 9.398 1.00 0.00 H new ATOM 488 N LYS A 30 0.182 -4.267 7.125 1.00 0.00 N ATOM 489 CA LYS A 30 1.408 -4.953 7.493 1.00 0.00 C ATOM 490 C LYS A 30 2.575 -4.373 6.707 1.00 0.00 C ATOM 491 O LYS A 30 3.552 -3.900 7.286 1.00 0.00 O ATOM 492 CB LYS A 30 1.290 -6.452 7.211 1.00 0.00 C ATOM 493 CG LYS A 30 2.527 -7.173 7.763 1.00 0.00 C ATOM 494 CD LYS A 30 2.313 -7.522 9.242 1.00 0.00 C ATOM 495 CE LYS A 30 1.631 -8.888 9.355 1.00 0.00 C ATOM 496 NZ LYS A 30 2.621 -9.964 9.066 1.00 0.00 N ATOM 0 H LYS A 30 -0.563 -4.873 6.781 1.00 0.00 H new ATOM 0 HA LYS A 30 1.581 -4.812 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.387 -6.850 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.202 -6.626 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.715 -8.081 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.407 -6.539 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.270 -7.538 9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.701 -6.758 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.218 -9.018 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.797 -8.949 8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.288 -10.861 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.728 -10.070 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.539 -9.713 9.485 1.00 0.00 H new ATOM 510 N LEU A 31 2.467 -4.406 5.381 1.00 0.00 N ATOM 511 CA LEU A 31 3.521 -3.874 4.533 1.00 0.00 C ATOM 512 C LEU A 31 4.012 -2.538 5.078 1.00 0.00 C ATOM 513 O LEU A 31 5.154 -2.143 4.846 1.00 0.00 O ATOM 514 CB LEU A 31 2.986 -3.690 3.111 1.00 0.00 C ATOM 515 CG LEU A 31 4.064 -3.068 2.217 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.293 -3.983 2.177 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.502 -2.894 0.801 1.00 0.00 C ATOM 0 H LEU A 31 1.668 -4.792 4.878 1.00 0.00 H new ATOM 0 HA LEU A 31 4.356 -4.574 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.676 -4.652 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.103 -3.051 3.127 1.00 0.00 H new ATOM 0 HG LEU A 31 4.357 -2.097 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.058 -3.538 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.687 -4.107 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.009 -4.956 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.264 -2.452 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.212 -3.866 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.630 -2.240 0.833 1.00 0.00 H new ATOM 529 N ALA A 32 3.141 -1.850 5.810 1.00 0.00 N ATOM 530 CA ALA A 32 3.501 -0.560 6.394 1.00 0.00 C ATOM 531 C ALA A 32 4.290 -0.773 7.681 1.00 0.00 C ATOM 532 O ALA A 32 5.270 -0.077 7.950 1.00 0.00 O ATOM 533 CB ALA A 32 2.237 0.266 6.685 1.00 0.00 C ATOM 0 H ALA A 32 2.190 -2.159 6.012 1.00 0.00 H new ATOM 0 HA ALA A 32 4.120 -0.014 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.521 1.224 7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.692 0.436 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.601 -0.276 7.385 1.00 0.00 H new ATOM 539 N GLN A 33 3.850 -1.743 8.470 1.00 0.00 N ATOM 540 CA GLN A 33 4.506 -2.059 9.734 1.00 0.00 C ATOM 541 C GLN A 33 5.764 -2.885 9.495 1.00 0.00 C ATOM 542 O GLN A 33 6.604 -3.029 10.382 1.00 0.00 O ATOM 543 CB GLN A 33 3.545 -2.830 10.642 1.00 0.00 C ATOM 544 CG GLN A 33 2.265 -2.017 10.839 1.00 0.00 C ATOM 545 CD GLN A 33 1.259 -2.817 11.658 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.265 -4.047 11.620 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.389 -2.188 12.400 1.00 0.00 N ATOM 0 H GLN A 33 3.041 -2.326 8.258 1.00 0.00 H new ATOM 0 HA GLN A 33 4.790 -1.125 10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.309 -3.798 10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.016 -3.025 11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.494 -1.079 11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.835 -1.760 9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.386 -1.168 12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.288 -2.716 12.950 1.00 0.00 H new ATOM 556 N SER A 34 5.885 -3.424 8.289 1.00 0.00 N ATOM 557 CA SER A 34 7.044 -4.233 7.937 1.00 0.00 C ATOM 558 C SER A 34 8.233 -3.327 7.678 1.00 0.00 C ATOM 559 O SER A 34 9.320 -3.536 8.217 1.00 0.00 O ATOM 560 CB SER A 34 6.746 -5.066 6.690 1.00 0.00 C ATOM 561 OG SER A 34 7.854 -5.913 6.415 1.00 0.00 O ATOM 0 H SER A 34 5.199 -3.317 7.542 1.00 0.00 H new ATOM 0 HA SER A 34 7.273 -4.907 8.763 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.847 -5.663 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.553 -4.412 5.839 1.00 0.00 H new ATOM 0 HG SER A 34 7.608 -6.559 5.720 1.00 0.00 H new ATOM 567 N ILE A 35 8.011 -2.306 6.860 1.00 0.00 N ATOM 568 CA ILE A 35 9.053 -1.353 6.545 1.00 0.00 C ATOM 569 C ILE A 35 8.917 -0.139 7.455 1.00 0.00 C ATOM 570 O ILE A 35 9.810 0.706 7.520 1.00 0.00 O ATOM 571 CB ILE A 35 8.948 -0.942 5.078 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.677 -0.116 4.855 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.900 -2.199 4.204 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.419 0.042 3.350 1.00 0.00 C ATOM 0 H ILE A 35 7.117 -2.122 6.406 1.00 0.00 H new ATOM 0 HA ILE A 35 10.031 -1.807 6.707 1.00 0.00 H new ATOM 0 HB ILE A 35 9.816 -0.339 4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.826 -0.605 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.782 0.864 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.825 -1.911 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.808 -2.783 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.033 -2.800 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.514 0.630 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.265 0.550 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.294 -0.942 2.897 1.00 0.00 H new ATOM 586 N SER A 36 7.795 -0.077 8.177 1.00 0.00 N ATOM 587 CA SER A 36 7.550 1.022 9.111 1.00 0.00 C ATOM 588 C SER A 36 6.975 2.245 8.403 1.00 0.00 C ATOM 589 O SER A 36 7.153 3.375 8.860 1.00 0.00 O ATOM 590 CB SER A 36 8.848 1.410 9.825 1.00 0.00 C ATOM 591 OG SER A 36 9.503 2.433 9.085 1.00 0.00 O ATOM 0 H SER A 36 7.048 -0.770 8.133 1.00 0.00 H new ATOM 0 HA SER A 36 6.819 0.674 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.631 1.758 10.835 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.498 0.540 9.920 1.00 0.00 H new ATOM 0 HG SER A 36 10.017 2.030 8.354 1.00 0.00 H new ATOM 597 N CYS A 37 6.271 2.017 7.301 1.00 0.00 N ATOM 598 CA CYS A 37 5.659 3.113 6.555 1.00 0.00 C ATOM 599 C CYS A 37 4.158 3.127 6.809 1.00 0.00 C ATOM 600 O CYS A 37 3.650 2.316 7.582 1.00 0.00 O ATOM 601 CB CYS A 37 5.922 2.948 5.058 1.00 0.00 C ATOM 602 SG CYS A 37 7.625 3.437 4.685 1.00 0.00 S ATOM 0 H CYS A 37 6.110 1.091 6.905 1.00 0.00 H new ATOM 0 HA CYS A 37 6.096 4.054 6.889 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.757 1.912 4.761 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.224 3.559 4.486 1.00 0.00 H new ATOM 0 HG CYS A 37 7.849 3.294 3.412 1.00 0.00 H new ATOM 608 N GLU A 38 3.449 4.043 6.156 1.00 0.00 N ATOM 609 CA GLU A 38 2.004 4.128 6.328 1.00 0.00 C ATOM 610 C GLU A 38 1.291 3.512 5.126 1.00 0.00 C ATOM 611 O GLU A 38 1.773 3.584 3.996 1.00 0.00 O ATOM 612 CB GLU A 38 1.573 5.589 6.524 1.00 0.00 C ATOM 613 CG GLU A 38 1.133 6.195 5.192 1.00 0.00 C ATOM 614 CD GLU A 38 1.014 7.710 5.322 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.013 8.161 5.852 1.00 0.00 O ATOM 616 OE2 GLU A 38 1.927 8.395 4.893 1.00 0.00 O ATOM 0 H GLU A 38 3.845 4.728 5.512 1.00 0.00 H new ATOM 0 HA GLU A 38 1.724 3.567 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.755 5.641 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.399 6.167 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.853 5.944 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.175 5.771 4.889 1.00 0.00 H new ATOM 623 N GLU A 39 0.145 2.907 5.392 1.00 0.00 N ATOM 624 CA GLU A 39 -0.648 2.269 4.349 1.00 0.00 C ATOM 625 C GLU A 39 -1.414 3.311 3.539 1.00 0.00 C ATOM 626 O GLU A 39 -1.864 3.045 2.424 1.00 0.00 O ATOM 627 CB GLU A 39 -1.633 1.272 4.979 1.00 0.00 C ATOM 628 CG GLU A 39 -2.057 1.757 6.372 1.00 0.00 C ATOM 629 CD GLU A 39 -1.073 1.270 7.434 1.00 0.00 C ATOM 630 OE1 GLU A 39 0.101 1.573 7.312 1.00 0.00 O ATOM 631 OE2 GLU A 39 -1.512 0.602 8.355 1.00 0.00 O ATOM 0 H GLU A 39 -0.260 2.843 6.326 1.00 0.00 H new ATOM 0 HA GLU A 39 0.027 1.737 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.510 1.163 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.169 0.289 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.105 2.846 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.058 1.391 6.601 1.00 0.00 H new ATOM 638 N SER A 40 -1.577 4.488 4.126 1.00 0.00 N ATOM 639 CA SER A 40 -2.315 5.571 3.478 1.00 0.00 C ATOM 640 C SER A 40 -1.501 6.246 2.375 1.00 0.00 C ATOM 641 O SER A 40 -2.005 7.136 1.690 1.00 0.00 O ATOM 642 CB SER A 40 -2.719 6.614 4.519 1.00 0.00 C ATOM 643 OG SER A 40 -3.550 6.004 5.498 1.00 0.00 O ATOM 0 H SER A 40 -1.210 4.721 5.049 1.00 0.00 H new ATOM 0 HA SER A 40 -3.200 5.132 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.832 7.036 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.247 7.438 4.039 1.00 0.00 H new ATOM 0 HG SER A 40 -3.809 6.670 6.168 1.00 0.00 H new ATOM 649 N GLN A 41 -0.252 5.824 2.195 1.00 0.00 N ATOM 650 CA GLN A 41 0.596 6.409 1.156 1.00 0.00 C ATOM 651 C GLN A 41 1.050 5.322 0.195 1.00 0.00 C ATOM 652 O GLN A 41 1.297 5.570 -0.985 1.00 0.00 O ATOM 653 CB GLN A 41 1.809 7.094 1.794 1.00 0.00 C ATOM 654 CG GLN A 41 2.925 6.074 1.992 1.00 0.00 C ATOM 655 CD GLN A 41 3.949 6.596 2.992 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.691 5.816 3.587 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.033 7.878 3.212 1.00 0.00 N ATOM 0 H GLN A 41 0.192 5.089 2.746 1.00 0.00 H new ATOM 0 HA GLN A 41 0.025 7.155 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.156 7.909 1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.530 7.533 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.507 5.132 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.411 5.867 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.416 8.522 2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.716 8.237 3.879 1.00 0.00 H new ATOM 666 N ILE A 42 1.159 4.118 0.729 1.00 0.00 N ATOM 667 CA ILE A 42 1.586 2.969 -0.037 1.00 0.00 C ATOM 668 C ILE A 42 0.588 2.635 -1.142 1.00 0.00 C ATOM 669 O ILE A 42 -0.618 2.548 -0.908 1.00 0.00 O ATOM 670 CB ILE A 42 1.737 1.793 0.937 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.215 1.536 1.202 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.086 0.526 0.387 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.345 0.653 2.436 1.00 0.00 C ATOM 0 H ILE A 42 0.953 3.913 1.707 1.00 0.00 H new ATOM 0 HA ILE A 42 2.535 3.181 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 42 1.233 2.056 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.674 1.051 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.741 2.479 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.211 -0.287 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.023 0.705 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.558 0.255 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.399 0.461 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.898 1.157 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.831 -0.292 2.263 1.00 0.00 H new ATOM 685 N LYS A 43 1.116 2.425 -2.341 1.00 0.00 N ATOM 686 CA LYS A 43 0.293 2.068 -3.491 1.00 0.00 C ATOM 687 C LYS A 43 0.588 0.625 -3.882 1.00 0.00 C ATOM 688 O LYS A 43 1.731 0.280 -4.179 1.00 0.00 O ATOM 689 CB LYS A 43 0.600 2.996 -4.671 1.00 0.00 C ATOM 690 CG LYS A 43 0.393 4.457 -4.253 1.00 0.00 C ATOM 691 CD LYS A 43 -1.095 4.815 -4.328 1.00 0.00 C ATOM 692 CE LYS A 43 -1.273 6.312 -4.072 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.583 7.085 -5.143 1.00 0.00 N ATOM 0 H LYS A 43 2.113 2.496 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.760 2.174 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.627 2.846 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.048 2.754 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.762 4.610 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.968 5.116 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.494 4.553 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.656 4.240 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.333 6.565 -4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.864 6.576 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.036 8.016 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.417 7.213 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.648 6.567 -6.042 1.00 0.00 H new ATOM 707 N LEU A 44 -0.437 -0.220 -3.859 1.00 0.00 N ATOM 708 CA LEU A 44 -0.256 -1.631 -4.192 1.00 0.00 C ATOM 709 C LEU A 44 -0.568 -1.888 -5.666 1.00 0.00 C ATOM 710 O LEU A 44 -1.718 -1.805 -6.095 1.00 0.00 O ATOM 711 CB LEU A 44 -1.168 -2.491 -3.301 1.00 0.00 C ATOM 712 CG LEU A 44 -0.324 -3.369 -2.364 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.525 -4.345 -3.197 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.586 -2.481 -1.494 1.00 0.00 C ATOM 0 H LEU A 44 -1.392 0.042 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 44 0.785 -1.901 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.825 -1.849 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.807 -3.119 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.984 -3.940 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.123 -4.967 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.130 -4.979 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.185 -3.782 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.182 -3.109 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.248 -1.900 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.027 -1.805 -0.898 1.00 0.00 H new ATOM 726 N ILE A 45 0.479 -2.183 -6.436 1.00 0.00 N ATOM 727 CA ILE A 45 0.344 -2.431 -7.864 1.00 0.00 C ATOM 728 C ILE A 45 0.309 -3.929 -8.155 1.00 0.00 C ATOM 729 O ILE A 45 1.072 -4.702 -7.576 1.00 0.00 O ATOM 730 CB ILE A 45 1.548 -1.827 -8.600 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.616 -0.293 -8.452 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.463 -2.174 -10.086 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.771 0.210 -7.287 1.00 0.00 C ATOM 0 H ILE A 45 1.435 -2.255 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.587 -1.976 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 45 2.447 -2.249 -8.152 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.652 0.011 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.275 0.175 -9.375 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.318 -1.745 -10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.469 -3.257 -10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.541 -1.767 -10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.850 1.295 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.271 -0.069 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.129 -0.236 -6.359 1.00 0.00 H new ATOM 745 N TYR A 46 -0.560 -4.323 -9.083 1.00 0.00 N ATOM 746 CA TYR A 46 -0.670 -5.720 -9.482 1.00 0.00 C ATOM 747 C TYR A 46 -0.425 -5.814 -10.978 1.00 0.00 C ATOM 748 O TYR A 46 -1.256 -5.391 -11.781 1.00 0.00 O ATOM 749 CB TYR A 46 -2.061 -6.259 -9.150 1.00 0.00 C ATOM 750 CG TYR A 46 -2.142 -7.735 -9.471 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.352 -8.657 -8.768 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.020 -8.186 -10.466 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.443 -10.024 -9.062 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.108 -9.552 -10.759 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.319 -10.470 -10.058 1.00 0.00 C ATOM 756 OH TYR A 46 -2.408 -11.817 -10.345 1.00 0.00 O ATOM 0 H TYR A 46 -1.197 -3.693 -9.571 1.00 0.00 H new ATOM 0 HA TYR A 46 0.066 -6.315 -8.942 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.279 -6.097 -8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.815 -5.714 -9.718 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.674 -8.313 -8.001 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.630 -7.478 -11.008 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.837 -10.734 -8.519 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.785 -9.897 -11.526 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.063 -11.956 -11.060 1.00 0.00 H new ATOM 766 N SER A 47 0.726 -6.350 -11.346 1.00 0.00 N ATOM 767 CA SER A 47 1.076 -6.468 -12.750 1.00 0.00 C ATOM 768 C SER A 47 0.889 -5.129 -13.455 1.00 0.00 C ATOM 769 O SER A 47 0.474 -5.080 -14.613 1.00 0.00 O ATOM 770 CB SER A 47 0.212 -7.535 -13.424 1.00 0.00 C ATOM 771 OG SER A 47 0.218 -8.714 -12.629 1.00 0.00 O ATOM 0 H SER A 47 1.428 -6.707 -10.698 1.00 0.00 H new ATOM 0 HA SER A 47 2.123 -6.763 -12.822 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.808 -7.170 -13.546 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.594 -7.753 -14.421 1.00 0.00 H new ATOM 0 HG SER A 47 -0.336 -9.400 -13.057 1.00 0.00 H new ATOM 777 N GLY A 48 1.199 -4.043 -12.749 1.00 0.00 N ATOM 778 CA GLY A 48 1.060 -2.711 -13.325 1.00 0.00 C ATOM 779 C GLY A 48 -0.357 -2.183 -13.144 1.00 0.00 C ATOM 780 O GLY A 48 -0.848 -1.413 -13.969 1.00 0.00 O ATOM 0 H GLY A 48 1.544 -4.060 -11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.768 -2.031 -12.852 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.308 -2.742 -14.386 1.00 0.00 H new ATOM 784 N LYS A 49 -1.020 -2.609 -12.068 1.00 0.00 N ATOM 785 CA LYS A 49 -2.392 -2.170 -11.812 1.00 0.00 C ATOM 786 C LYS A 49 -2.551 -1.678 -10.379 1.00 0.00 C ATOM 787 O LYS A 49 -2.318 -2.419 -9.429 1.00 0.00 O ATOM 788 CB LYS A 49 -3.354 -3.337 -12.058 1.00 0.00 C ATOM 789 CG LYS A 49 -4.802 -2.826 -12.132 1.00 0.00 C ATOM 790 CD LYS A 49 -5.472 -2.871 -10.749 1.00 0.00 C ATOM 791 CE LYS A 49 -5.508 -4.311 -10.218 1.00 0.00 C ATOM 792 NZ LYS A 49 -5.424 -5.272 -11.355 1.00 0.00 N ATOM 0 H LYS A 49 -0.637 -3.247 -11.370 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.621 -1.346 -12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.092 -3.844 -12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.260 -4.070 -11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.812 -1.805 -12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.371 -3.434 -12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.927 -2.234 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.486 -2.476 -10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.679 -4.475 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.427 -4.478 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.618 -6.234 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.125 -5.015 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.470 -5.238 -11.769 1.00 0.00 H new ATOM 806 N VAL A 50 -2.972 -0.427 -10.230 1.00 0.00 N ATOM 807 CA VAL A 50 -3.169 0.143 -8.904 1.00 0.00 C ATOM 808 C VAL A 50 -4.333 -0.546 -8.193 1.00 0.00 C ATOM 809 O VAL A 50 -5.485 -0.136 -8.330 1.00 0.00 O ATOM 810 CB VAL A 50 -3.451 1.642 -9.016 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.436 2.270 -7.621 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.373 2.298 -9.881 1.00 0.00 C ATOM 0 H VAL A 50 -3.181 0.205 -11.002 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.260 -0.012 -8.323 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.429 1.795 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.637 3.338 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.202 1.802 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.458 2.118 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.572 3.367 -9.962 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.396 2.145 -9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.382 1.851 -10.875 1.00 0.00 H new ATOM 822 N LEU A 51 -4.025 -1.597 -7.437 1.00 0.00 N ATOM 823 CA LEU A 51 -5.051 -2.336 -6.713 1.00 0.00 C ATOM 824 C LEU A 51 -5.933 -1.390 -5.911 1.00 0.00 C ATOM 825 O LEU A 51 -5.640 -0.201 -5.782 1.00 0.00 O ATOM 826 CB LEU A 51 -4.404 -3.338 -5.754 1.00 0.00 C ATOM 827 CG LEU A 51 -3.799 -4.513 -6.534 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.691 -5.166 -5.696 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.889 -5.550 -6.835 1.00 0.00 C ATOM 0 H LEU A 51 -3.078 -1.953 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.661 -2.865 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.628 -2.843 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.148 -3.707 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.381 -4.146 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.261 -6.001 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.914 -4.431 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.111 -5.530 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.456 -6.383 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.311 -5.917 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.676 -5.088 -7.431 1.00 0.00 H new ATOM 841 N GLN A 52 -7.011 -1.939 -5.368 1.00 0.00 N ATOM 842 CA GLN A 52 -7.946 -1.161 -4.563 1.00 0.00 C ATOM 843 C GLN A 52 -7.819 -1.549 -3.092 1.00 0.00 C ATOM 844 O GLN A 52 -7.327 -2.627 -2.764 1.00 0.00 O ATOM 845 CB GLN A 52 -9.382 -1.401 -5.041 1.00 0.00 C ATOM 846 CG GLN A 52 -9.380 -1.713 -6.539 1.00 0.00 C ATOM 847 CD GLN A 52 -8.694 -0.587 -7.306 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.725 -0.826 -8.025 1.00 0.00 O ATOM 849 NE2 GLN A 52 -9.144 0.633 -7.196 1.00 0.00 N ATOM 0 H GLN A 52 -7.261 -2.923 -5.470 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.708 -0.103 -4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.826 -2.228 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.993 -0.521 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.864 -2.656 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.403 -1.836 -6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.948 0.828 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.692 1.391 -7.707 1.00 0.00 H new ATOM 858 N ASP A 53 -8.261 -0.660 -2.214 1.00 0.00 N ATOM 859 CA ASP A 53 -8.189 -0.907 -0.778 1.00 0.00 C ATOM 860 C ASP A 53 -9.335 -1.798 -0.310 1.00 0.00 C ATOM 861 O ASP A 53 -9.325 -2.293 0.817 1.00 0.00 O ATOM 862 CB ASP A 53 -8.262 0.420 -0.030 1.00 0.00 C ATOM 863 CG ASP A 53 -7.071 1.298 -0.401 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.449 1.021 -1.414 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.799 2.234 0.333 1.00 0.00 O ATOM 0 H ASP A 53 -8.673 0.238 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.246 -1.413 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.192 0.933 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.270 0.240 1.045 1.00 0.00 H new ATOM 870 N SER A 54 -10.336 -1.971 -1.165 1.00 0.00 N ATOM 871 CA SER A 54 -11.504 -2.776 -0.809 1.00 0.00 C ATOM 872 C SER A 54 -11.494 -4.148 -1.481 1.00 0.00 C ATOM 873 O SER A 54 -12.509 -4.844 -1.475 1.00 0.00 O ATOM 874 CB SER A 54 -12.779 -2.033 -1.209 1.00 0.00 C ATOM 875 OG SER A 54 -12.724 -1.718 -2.595 1.00 0.00 O ATOM 0 H SER A 54 -10.365 -1.570 -2.102 1.00 0.00 H new ATOM 0 HA SER A 54 -11.471 -2.934 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.654 -2.649 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.882 -1.121 -0.621 1.00 0.00 H new ATOM 0 HG SER A 54 -13.541 -1.243 -2.855 1.00 0.00 H new ATOM 881 N LYS A 55 -10.362 -4.545 -2.061 1.00 0.00 N ATOM 882 CA LYS A 55 -10.289 -5.845 -2.724 1.00 0.00 C ATOM 883 C LYS A 55 -9.540 -6.851 -1.863 1.00 0.00 C ATOM 884 O LYS A 55 -8.637 -6.491 -1.110 1.00 0.00 O ATOM 885 CB LYS A 55 -9.583 -5.708 -4.074 1.00 0.00 C ATOM 886 CG LYS A 55 -10.476 -4.931 -5.046 1.00 0.00 C ATOM 887 CD LYS A 55 -11.465 -5.884 -5.723 1.00 0.00 C ATOM 888 CE LYS A 55 -12.300 -5.110 -6.747 1.00 0.00 C ATOM 889 NZ LYS A 55 -11.413 -4.617 -7.839 1.00 0.00 N ATOM 0 H LYS A 55 -9.501 -3.999 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.307 -6.203 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.631 -5.192 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.359 -6.694 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.018 -4.151 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.863 -4.435 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.927 -6.695 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.116 -6.340 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.078 -5.753 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.801 -4.271 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.830 -4.858 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.311 -3.585 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.478 -5.064 -7.755 1.00 0.00 H new ATOM 903 N THR A 56 -9.914 -8.119 -1.991 1.00 0.00 N ATOM 904 CA THR A 56 -9.261 -9.177 -1.235 1.00 0.00 C ATOM 905 C THR A 56 -8.314 -9.947 -2.136 1.00 0.00 C ATOM 906 O THR A 56 -8.539 -10.056 -3.340 1.00 0.00 O ATOM 907 CB THR A 56 -10.288 -10.132 -0.629 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.151 -10.619 -1.646 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.101 -9.402 0.434 1.00 0.00 C ATOM 0 H THR A 56 -10.662 -8.437 -2.608 1.00 0.00 H new ATOM 0 HA THR A 56 -8.698 -8.717 -0.423 1.00 0.00 H new ATOM 0 HB THR A 56 -9.770 -10.974 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.807 -11.232 -1.253 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.833 -10.085 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.435 -9.042 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.617 -8.556 -0.020 1.00 0.00 H new ATOM 917 N VAL A 57 -7.252 -10.472 -1.548 1.00 0.00 N ATOM 918 CA VAL A 57 -6.269 -11.226 -2.320 1.00 0.00 C ATOM 919 C VAL A 57 -6.984 -12.167 -3.284 1.00 0.00 C ATOM 920 O VAL A 57 -6.552 -12.358 -4.421 1.00 0.00 O ATOM 921 CB VAL A 57 -5.345 -12.019 -1.378 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.030 -13.400 -1.968 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.034 -11.249 -1.183 1.00 0.00 C ATOM 0 H VAL A 57 -7.047 -10.394 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.657 -10.531 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.852 -12.148 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.376 -13.946 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.957 -13.957 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.533 -13.280 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.379 -11.809 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.543 -11.116 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.247 -10.273 -0.747 1.00 0.00 H new ATOM 933 N SER A 58 -8.083 -12.744 -2.820 1.00 0.00 N ATOM 934 CA SER A 58 -8.860 -13.656 -3.645 1.00 0.00 C ATOM 935 C SER A 58 -9.413 -12.917 -4.856 1.00 0.00 C ATOM 936 O SER A 58 -9.523 -13.479 -5.946 1.00 0.00 O ATOM 937 CB SER A 58 -10.010 -14.229 -2.826 1.00 0.00 C ATOM 938 OG SER A 58 -10.549 -15.360 -3.498 1.00 0.00 O ATOM 0 H SER A 58 -8.455 -12.598 -1.882 1.00 0.00 H new ATOM 0 HA SER A 58 -8.217 -14.467 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.658 -14.514 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.783 -13.473 -2.685 1.00 0.00 H new ATOM 0 HG SER A 58 -11.288 -15.731 -2.972 1.00 0.00 H new ATOM 944 N GLU A 59 -9.750 -11.649 -4.651 1.00 0.00 N ATOM 945 CA GLU A 59 -10.284 -10.823 -5.724 1.00 0.00 C ATOM 946 C GLU A 59 -9.141 -10.228 -6.537 1.00 0.00 C ATOM 947 O GLU A 59 -9.247 -10.065 -7.752 1.00 0.00 O ATOM 948 CB GLU A 59 -11.141 -9.700 -5.138 1.00 0.00 C ATOM 949 CG GLU A 59 -12.467 -10.279 -4.641 1.00 0.00 C ATOM 950 CD GLU A 59 -13.342 -10.674 -5.826 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.440 -9.887 -6.753 1.00 0.00 O ATOM 952 OE2 GLU A 59 -13.898 -11.759 -5.790 1.00 0.00 O ATOM 0 H GLU A 59 -9.663 -11.173 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.902 -11.441 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.613 -9.215 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.325 -8.936 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.280 -11.149 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.985 -9.545 -4.025 1.00 0.00 H new ATOM 959 N CYS A 60 -8.045 -9.913 -5.855 1.00 0.00 N ATOM 960 CA CYS A 60 -6.880 -9.342 -6.521 1.00 0.00 C ATOM 961 C CYS A 60 -6.300 -10.340 -7.519 1.00 0.00 C ATOM 962 O CYS A 60 -5.715 -9.953 -8.531 1.00 0.00 O ATOM 963 CB CYS A 60 -5.822 -8.968 -5.484 1.00 0.00 C ATOM 964 SG CYS A 60 -6.638 -8.286 -4.021 1.00 0.00 S ATOM 0 H CYS A 60 -7.939 -10.042 -4.849 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.186 -8.445 -7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.236 -9.846 -5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.128 -8.238 -5.902 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.861 -8.722 -3.963 1.00 0.00 H new ATOM 970 N GLY A 61 -6.473 -11.629 -7.230 1.00 0.00 N ATOM 971 CA GLY A 61 -5.973 -12.678 -8.115 1.00 0.00 C ATOM 972 C GLY A 61 -4.643 -13.240 -7.624 1.00 0.00 C ATOM 973 O GLY A 61 -4.063 -14.120 -8.261 1.00 0.00 O ATOM 0 H GLY A 61 -6.952 -11.970 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.707 -13.481 -8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.850 -12.278 -9.121 1.00 0.00 H new ATOM 977 N LEU A 62 -4.157 -12.731 -6.496 1.00 0.00 N ATOM 978 CA LEU A 62 -2.893 -13.199 -5.951 1.00 0.00 C ATOM 979 C LEU A 62 -3.003 -14.645 -5.495 1.00 0.00 C ATOM 980 O LEU A 62 -4.057 -15.090 -5.041 1.00 0.00 O ATOM 981 CB LEU A 62 -2.476 -12.327 -4.767 1.00 0.00 C ATOM 982 CG LEU A 62 -2.012 -10.963 -5.274 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.154 -9.927 -4.158 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.545 -11.049 -5.707 1.00 0.00 C ATOM 0 H LEU A 62 -4.615 -12.002 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.141 -13.133 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.313 -12.205 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.674 -12.811 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.625 -10.666 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.823 -8.954 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.198 -9.864 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.543 -10.224 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.215 -10.075 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.068 -11.347 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.443 -11.786 -6.504 1.00 0.00 H new ATOM 996 N LYS A 63 -1.898 -15.365 -5.616 1.00 0.00 N ATOM 997 CA LYS A 63 -1.849 -16.764 -5.211 1.00 0.00 C ATOM 998 C LYS A 63 -0.705 -16.989 -4.226 1.00 0.00 C ATOM 999 O LYS A 63 -0.221 -16.045 -3.601 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.694 -17.662 -6.444 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.465 -17.242 -7.256 1.00 0.00 C ATOM 1002 CD LYS A 63 0.806 -17.800 -6.610 1.00 0.00 C ATOM 1003 CE LYS A 63 1.914 -17.906 -7.661 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.208 -18.218 -6.990 1.00 0.00 N ATOM 0 H LYS A 63 -1.021 -15.004 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.783 -17.023 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.596 -18.703 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.588 -17.597 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.553 -17.607 -8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.408 -16.155 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.126 -17.152 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.606 -18.781 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.670 -18.684 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.995 -16.971 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.865 -17.422 -7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.044 -18.375 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.619 -19.075 -7.411 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.285 -18.239 -4.082 1.00 0.00 N ATOM 1019 CA ASP A 64 0.794 -18.575 -3.157 1.00 0.00 C ATOM 1020 C ASP A 64 2.163 -18.381 -3.801 1.00 0.00 C ATOM 1021 O ASP A 64 2.476 -18.993 -4.822 1.00 0.00 O ATOM 1022 CB ASP A 64 0.651 -20.026 -2.699 1.00 0.00 C ATOM 1023 CG ASP A 64 0.672 -20.958 -3.905 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.057 -20.692 -4.846 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.416 -21.924 -3.870 1.00 0.00 O ATOM 0 H ASP A 64 -0.671 -19.035 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 64 0.720 -17.904 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.462 -20.282 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.281 -20.152 -2.148 1.00 0.00 H new ATOM 1030 N GLY A 65 2.984 -17.547 -3.172 1.00 0.00 N ATOM 1031 CA GLY A 65 4.338 -17.295 -3.666 1.00 0.00 C ATOM 1032 C GLY A 65 4.382 -16.252 -4.788 1.00 0.00 C ATOM 1033 O GLY A 65 5.441 -16.015 -5.368 1.00 0.00 O ATOM 0 H GLY A 65 2.740 -17.035 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.963 -16.958 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.766 -18.229 -4.029 1.00 0.00 H new ATOM 1037 N ASP A 66 3.246 -15.631 -5.101 1.00 0.00 N ATOM 1038 CA ASP A 66 3.221 -14.627 -6.169 1.00 0.00 C ATOM 1039 C ASP A 66 4.037 -13.394 -5.771 1.00 0.00 C ATOM 1040 O ASP A 66 4.834 -13.438 -4.833 1.00 0.00 O ATOM 1041 CB ASP A 66 1.775 -14.211 -6.488 1.00 0.00 C ATOM 1042 CG ASP A 66 1.551 -14.180 -8.000 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.518 -13.992 -8.720 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.415 -14.339 -8.414 1.00 0.00 O ATOM 0 H ASP A 66 2.349 -15.798 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 66 3.666 -15.072 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.078 -14.910 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.570 -13.228 -6.063 1.00 0.00 H new ATOM 1049 N GLN A 67 3.827 -12.295 -6.492 1.00 0.00 N ATOM 1050 CA GLN A 67 4.539 -11.053 -6.211 1.00 0.00 C ATOM 1051 C GLN A 67 3.636 -9.857 -6.488 1.00 0.00 C ATOM 1052 O GLN A 67 2.849 -9.875 -7.436 1.00 0.00 O ATOM 1053 CB GLN A 67 5.794 -10.970 -7.083 1.00 0.00 C ATOM 1054 CG GLN A 67 5.399 -10.671 -8.532 1.00 0.00 C ATOM 1055 CD GLN A 67 6.570 -10.963 -9.463 1.00 0.00 C ATOM 1056 OE1 GLN A 67 7.551 -10.220 -9.481 1.00 0.00 O ATOM 1057 NE2 GLN A 67 6.526 -12.010 -10.241 1.00 0.00 N ATOM 0 H GLN A 67 3.172 -12.240 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 67 4.829 -11.039 -5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.457 -10.190 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.346 -11.909 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.539 -11.277 -8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.099 -9.627 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.712 -12.624 -10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.306 -12.214 -10.866 1.00 0.00 H new ATOM 1066 N VAL A 68 3.742 -8.824 -5.656 1.00 0.00 N ATOM 1067 CA VAL A 68 2.917 -7.635 -5.826 1.00 0.00 C ATOM 1068 C VAL A 68 3.783 -6.381 -5.861 1.00 0.00 C ATOM 1069 O VAL A 68 4.438 -6.042 -4.878 1.00 0.00 O ATOM 1070 CB VAL A 68 1.913 -7.534 -4.668 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.559 -7.046 -5.191 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.739 -8.910 -4.019 1.00 0.00 C ATOM 0 H VAL A 68 4.385 -8.787 -4.865 1.00 0.00 H new ATOM 0 HA VAL A 68 2.381 -7.716 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 68 2.291 -6.825 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.147 -6.977 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.678 -6.064 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.181 -7.749 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.026 -8.837 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.367 -9.617 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.699 -9.256 -3.637 1.00 0.00 H new ATOM 1082 N VAL A 69 3.769 -5.684 -6.988 1.00 0.00 N ATOM 1083 CA VAL A 69 4.546 -4.466 -7.117 1.00 0.00 C ATOM 1084 C VAL A 69 3.898 -3.369 -6.292 1.00 0.00 C ATOM 1085 O VAL A 69 2.677 -3.320 -6.168 1.00 0.00 O ATOM 1086 CB VAL A 69 4.618 -4.040 -8.585 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.427 -2.747 -8.702 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.295 -5.141 -9.403 1.00 0.00 C ATOM 0 H VAL A 69 3.233 -5.940 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 69 5.559 -4.645 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 69 3.610 -3.873 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.478 -2.443 -9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.945 -1.962 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.435 -2.913 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.346 -4.838 -10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.303 -5.308 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.719 -6.062 -9.320 1.00 0.00 H new ATOM 1098 N PHE A 70 4.714 -2.500 -5.719 1.00 0.00 N ATOM 1099 CA PHE A 70 4.190 -1.412 -4.900 1.00 0.00 C ATOM 1100 C PHE A 70 5.234 -0.314 -4.715 1.00 0.00 C ATOM 1101 O PHE A 70 6.403 -0.488 -5.059 1.00 0.00 O ATOM 1102 CB PHE A 70 3.754 -1.953 -3.533 1.00 0.00 C ATOM 1103 CG PHE A 70 4.923 -1.937 -2.578 1.00 0.00 C ATOM 1104 CD1 PHE A 70 5.909 -2.926 -2.659 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.020 -0.927 -1.615 1.00 0.00 C ATOM 1106 CE1 PHE A 70 6.993 -2.904 -1.776 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.102 -0.905 -0.731 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.090 -1.894 -0.811 1.00 0.00 C ATOM 0 H PHE A 70 5.730 -2.522 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 70 3.329 -0.982 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.940 -1.347 -3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.373 -2.969 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.833 -3.706 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.258 -0.164 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 70 7.756 -3.666 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.176 -0.126 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.927 -1.878 -0.128 1.00 0.00 H new ATOM 1118 N MET A 71 4.798 0.815 -4.162 1.00 0.00 N ATOM 1119 CA MET A 71 5.696 1.943 -3.927 1.00 0.00 C ATOM 1120 C MET A 71 5.142 2.843 -2.825 1.00 0.00 C ATOM 1121 O MET A 71 3.929 2.973 -2.669 1.00 0.00 O ATOM 1122 CB MET A 71 5.865 2.760 -5.213 1.00 0.00 C ATOM 1123 CG MET A 71 6.794 2.022 -6.181 1.00 0.00 C ATOM 1124 SD MET A 71 7.275 3.138 -7.523 1.00 0.00 S ATOM 1125 CE MET A 71 6.129 2.500 -8.770 1.00 0.00 C ATOM 0 H MET A 71 3.834 0.973 -3.870 1.00 0.00 H new ATOM 0 HA MET A 71 6.665 1.552 -3.616 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.894 2.923 -5.681 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.276 3.742 -4.979 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.679 1.667 -5.653 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.291 1.144 -6.586 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.256 3.056 -9.699 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.335 1.445 -8.948 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.105 2.615 -8.415 1.00 0.00 H new ATOM 1135 N VAL A 72 6.039 3.466 -2.064 1.00 0.00 N ATOM 1136 CA VAL A 72 5.627 4.356 -0.982 1.00 0.00 C ATOM 1137 C VAL A 72 5.625 5.805 -1.452 1.00 0.00 C ATOM 1138 O VAL A 72 6.597 6.278 -2.042 1.00 0.00 O ATOM 1139 CB VAL A 72 6.574 4.209 0.211 1.00 0.00 C ATOM 1140 CG1 VAL A 72 5.949 4.870 1.443 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.810 2.724 0.493 1.00 0.00 C ATOM 0 H VAL A 72 7.049 3.372 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 72 4.617 4.080 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 72 7.524 4.691 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.623 4.766 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.780 5.928 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.999 4.388 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.484 2.618 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.860 2.242 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.254 2.253 -0.384 1.00 0.00 H new ATOM 1151 N SER A 73 4.527 6.507 -1.189 1.00 0.00 N ATOM 1152 CA SER A 73 4.408 7.907 -1.590 1.00 0.00 C ATOM 1153 C SER A 73 4.801 8.826 -0.438 1.00 0.00 C ATOM 1154 O SER A 73 5.142 8.361 0.649 1.00 0.00 O ATOM 1155 CB SER A 73 2.972 8.207 -2.020 1.00 0.00 C ATOM 1156 OG SER A 73 2.926 9.484 -2.640 1.00 0.00 O ATOM 0 H SER A 73 3.711 6.134 -0.703 1.00 0.00 H new ATOM 0 HA SER A 73 5.081 8.086 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.619 7.441 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.309 8.186 -1.155 1.00 0.00 H new ATOM 0 HG SER A 73 2.007 9.679 -2.919 1.00 0.00 H new ATOM 1162 N GLN A 74 4.749 10.132 -0.685 1.00 0.00 N ATOM 1163 CA GLN A 74 5.102 11.110 0.339 1.00 0.00 C ATOM 1164 C GLN A 74 6.581 11.000 0.700 1.00 0.00 C ATOM 1165 O GLN A 74 7.363 11.913 0.433 1.00 0.00 O ATOM 1166 CB GLN A 74 4.248 10.890 1.592 1.00 0.00 C ATOM 1167 CG GLN A 74 4.263 12.157 2.451 1.00 0.00 C ATOM 1168 CD GLN A 74 3.447 11.935 3.720 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.671 12.605 4.728 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.506 11.031 3.730 1.00 0.00 N ATOM 0 H GLN A 74 4.468 10.535 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 74 4.911 12.107 -0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.225 10.642 1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.633 10.046 2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.289 12.419 2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.853 12.994 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.322 10.477 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.954 10.878 4.574 1.00 0.00 H new ATOM 1179 N LYS A 75 6.956 9.878 1.305 1.00 0.00 N ATOM 1180 CA LYS A 75 8.345 9.661 1.696 1.00 0.00 C ATOM 1181 C LYS A 75 9.218 9.427 0.468 1.00 0.00 C ATOM 1182 O LYS A 75 10.360 8.982 0.582 1.00 0.00 O ATOM 1183 CB LYS A 75 8.443 8.454 2.632 1.00 0.00 C ATOM 1184 CG LYS A 75 7.344 8.537 3.692 1.00 0.00 C ATOM 1185 CD LYS A 75 7.502 9.830 4.495 1.00 0.00 C ATOM 1186 CE LYS A 75 6.726 9.713 5.807 1.00 0.00 C ATOM 1187 NZ LYS A 75 6.692 11.040 6.484 1.00 0.00 N ATOM 0 H LYS A 75 6.324 9.111 1.534 1.00 0.00 H new ATOM 0 HA LYS A 75 8.699 10.552 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.344 7.530 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.422 8.430 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.363 8.510 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.400 7.675 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.556 10.017 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.134 10.677 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.711 9.366 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.196 8.974 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.164 10.961 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.664 11.353 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.224 11.733 5.866 1.00 0.00 H new ATOM 1201 N LYS A 76 8.672 9.729 -0.706 1.00 0.00 N ATOM 1202 CA LYS A 76 9.412 9.547 -1.950 1.00 0.00 C ATOM 1203 C LYS A 76 10.811 10.146 -1.832 1.00 0.00 C ATOM 1204 O LYS A 76 11.729 9.746 -2.547 1.00 0.00 O ATOM 1205 CB LYS A 76 8.664 10.213 -3.106 1.00 0.00 C ATOM 1206 CG LYS A 76 8.577 11.721 -2.859 1.00 0.00 C ATOM 1207 CD LYS A 76 7.506 12.329 -3.769 1.00 0.00 C ATOM 1208 CE LYS A 76 7.859 12.052 -5.232 1.00 0.00 C ATOM 1209 NZ LYS A 76 7.076 12.966 -6.112 1.00 0.00 N ATOM 0 H LYS A 76 7.728 10.098 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 76 9.501 8.478 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.179 10.017 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.663 9.791 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.334 11.915 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.542 12.188 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.530 11.905 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.436 13.403 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.927 12.199 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.639 11.014 -5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.315 12.779 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.059 12.804 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.307 13.953 -5.880 1.00 0.00 H new ATOM 1223 N SER A 77 10.963 11.103 -0.923 1.00 0.00 N ATOM 1224 CA SER A 77 12.255 11.748 -0.719 1.00 0.00 C ATOM 1225 C SER A 77 13.154 10.879 0.156 1.00 0.00 C ATOM 1226 O SER A 77 12.761 9.788 0.572 1.00 0.00 O ATOM 1227 CB SER A 77 12.059 13.111 -0.054 1.00 0.00 C ATOM 1228 OG SER A 77 11.350 12.941 1.166 1.00 0.00 O ATOM 0 H SER A 77 10.215 11.447 -0.321 1.00 0.00 H new ATOM 0 HA SER A 77 12.730 11.883 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.025 13.578 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.508 13.777 -0.718 1.00 0.00 H new ATOM 0 HG SER A 77 11.224 13.813 1.596 1.00 0.00 H new ATOM 1234 N THR A 78 14.358 11.368 0.432 1.00 0.00 N ATOM 1235 CA THR A 78 15.302 10.625 1.259 1.00 0.00 C ATOM 1236 C THR A 78 14.953 10.774 2.736 1.00 0.00 C ATOM 1237 O THR A 78 13.876 11.271 3.024 1.00 0.00 O ATOM 1238 CB THR A 78 16.724 11.134 1.015 1.00 0.00 C ATOM 1239 OG1 THR A 78 16.778 12.529 1.281 1.00 0.00 O ATOM 1240 CG2 THR A 78 17.119 10.874 -0.439 1.00 0.00 C ATOM 0 H THR A 78 14.702 12.269 0.098 1.00 0.00 H new ATOM 0 HA THR A 78 15.242 9.571 0.988 1.00 0.00 H new ATOM 0 HB THR A 78 17.416 10.611 1.675 1.00 0.00 H new ATOM 0 HG1 THR A 78 17.689 12.856 1.127 1.00 0.00 H new ATOM 0 HG21 THR A 78 18.132 11.237 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 78 17.078 9.804 -0.641 1.00 0.00 H new ATOM 0 HG23 THR A 78 16.429 11.396 -1.102 1.00 0.00 H new TER 1248 THR A 78