USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 507 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 19 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-0.062) USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.325 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.069 (180deg=-0.303) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.23) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 13 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00893) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0192) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.414 (180deg=-0.509) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.59) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0346 K(o=-0.035,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00417 X(o=-0.0042,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.0679 (180deg=-0.868) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.346 -10.900 -7.308 1.00 0.00 N ATOM 2 CA MET A 1 14.463 -11.111 -5.870 1.00 0.00 C ATOM 3 C MET A 1 15.468 -10.140 -5.259 1.00 0.00 C ATOM 4 O MET A 1 16.638 -10.119 -5.642 1.00 0.00 O ATOM 5 CB MET A 1 14.885 -12.552 -5.577 1.00 0.00 C ATOM 6 CG MET A 1 16.066 -13.021 -6.412 1.00 0.00 C ATOM 7 SD MET A 1 16.592 -14.694 -5.992 1.00 0.00 S ATOM 8 CE MET A 1 16.970 -14.503 -4.252 1.00 0.00 C ATOM 0 H1 MET A 1 13.806 -11.682 -7.731 1.00 0.00 H new ATOM 0 H2 MET A 1 13.853 -10.002 -7.488 1.00 0.00 H new ATOM 0 H3 MET A 1 15.295 -10.865 -7.732 1.00 0.00 H new ATOM 0 HA MET A 1 13.487 -10.928 -5.420 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.140 -12.640 -4.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.038 -13.214 -5.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.798 -12.983 -7.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.901 -12.335 -6.270 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.668 -15.281 -3.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.419 -13.525 -4.083 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.053 -14.587 -3.669 1.00 0.00 H new ATOM 18 N VAL A 2 15.005 -9.338 -4.305 1.00 0.00 N ATOM 19 CA VAL A 2 15.864 -8.366 -3.640 1.00 0.00 C ATOM 20 C VAL A 2 15.708 -8.440 -2.125 1.00 0.00 C ATOM 21 O VAL A 2 16.693 -8.418 -1.388 1.00 0.00 O ATOM 22 CB VAL A 2 15.554 -6.931 -4.107 1.00 0.00 C ATOM 23 CG1 VAL A 2 16.580 -5.955 -3.552 1.00 0.00 C ATOM 24 CG2 VAL A 2 15.510 -6.864 -5.626 1.00 0.00 C ATOM 0 H VAL A 2 14.040 -9.343 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 2 16.891 -8.615 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 2 14.574 -6.647 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.344 -4.947 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.558 -5.984 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.574 -6.233 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.290 -5.843 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.475 -7.168 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.734 -7.533 -5.997 1.00 0.00 H new ATOM 34 N SER A 3 14.463 -8.530 -1.668 1.00 0.00 N ATOM 35 CA SER A 3 14.177 -8.604 -0.240 1.00 0.00 C ATOM 36 C SER A 3 13.167 -9.708 0.055 1.00 0.00 C ATOM 37 O SER A 3 12.375 -10.085 -0.808 1.00 0.00 O ATOM 38 CB SER A 3 13.645 -7.262 0.266 1.00 0.00 C ATOM 39 OG SER A 3 12.255 -7.140 0.023 1.00 0.00 O ATOM 0 H SER A 3 13.637 -8.553 -2.266 1.00 0.00 H new ATOM 0 HA SER A 3 15.106 -8.837 0.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.840 -7.170 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.176 -6.448 -0.227 1.00 0.00 H new ATOM 0 HG SER A 3 11.939 -6.275 0.357 1.00 0.00 H new ATOM 45 N GLN A 4 13.202 -10.222 1.280 1.00 0.00 N ATOM 46 CA GLN A 4 12.291 -11.284 1.689 1.00 0.00 C ATOM 47 C GLN A 4 11.093 -10.714 2.442 1.00 0.00 C ATOM 48 O GLN A 4 11.235 -9.799 3.254 1.00 0.00 O ATOM 49 CB GLN A 4 13.021 -12.303 2.566 1.00 0.00 C ATOM 50 CG GLN A 4 13.997 -13.178 1.798 1.00 0.00 C ATOM 51 CD GLN A 4 15.319 -12.485 1.533 1.00 0.00 C ATOM 52 OE1 GLN A 4 15.760 -12.380 0.388 1.00 0.00 O ATOM 53 NE2 GLN A 4 15.960 -12.007 2.594 1.00 0.00 N ATOM 0 H GLN A 4 13.851 -9.920 2.006 1.00 0.00 H new ATOM 0 HA GLN A 4 11.929 -11.783 0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.561 -11.774 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.285 -12.939 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 4 14.178 -14.094 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.548 -13.470 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.558 -12.116 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.854 -11.531 2.478 1.00 0.00 H new ATOM 62 N LYS A 5 9.913 -11.259 2.166 1.00 0.00 N ATOM 63 CA LYS A 5 8.690 -10.805 2.817 1.00 0.00 C ATOM 64 C LYS A 5 8.077 -11.919 3.660 1.00 0.00 C ATOM 65 O LYS A 5 8.623 -13.018 3.744 1.00 0.00 O ATOM 66 CB LYS A 5 7.679 -10.327 1.772 1.00 0.00 C ATOM 67 CG LYS A 5 7.957 -8.927 1.253 1.00 0.00 C ATOM 68 CD LYS A 5 7.299 -8.691 -0.096 1.00 0.00 C ATOM 69 CE LYS A 5 7.636 -7.314 -0.647 1.00 0.00 C ATOM 70 NZ LYS A 5 6.430 -6.618 -1.177 1.00 0.00 N ATOM 0 H LYS A 5 9.778 -12.016 1.496 1.00 0.00 H new ATOM 0 HA LYS A 5 8.945 -9.974 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.679 -11.023 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.680 -10.353 2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.591 -8.193 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.033 -8.778 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.626 -9.456 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.218 -8.790 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.088 -6.709 0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.377 -7.412 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.702 -5.683 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.012 -7.183 -1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.733 -6.502 -0.414 1.00 0.00 H new ATOM 84 N ASN A 6 6.938 -11.627 4.280 1.00 0.00 N ATOM 85 CA ASN A 6 6.251 -12.605 5.115 1.00 0.00 C ATOM 86 C ASN A 6 4.905 -12.990 4.508 1.00 0.00 C ATOM 87 O ASN A 6 4.071 -12.130 4.227 1.00 0.00 O ATOM 88 CB ASN A 6 6.045 -12.048 6.526 1.00 0.00 C ATOM 89 CG ASN A 6 6.197 -13.112 7.595 1.00 0.00 C ATOM 90 OD1 ASN A 6 5.209 -13.648 8.098 1.00 0.00 O ATOM 91 ND2 ASN A 6 7.438 -13.423 7.949 1.00 0.00 N ATOM 0 H ASN A 6 6.472 -10.722 4.220 1.00 0.00 H new ATOM 0 HA ASN A 6 6.874 -13.498 5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.764 -11.249 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.052 -11.604 6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.602 -14.132 8.664 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.228 -12.953 7.506 1.00 0.00 H new ATOM 98 N GLY A 7 4.701 -14.288 4.308 1.00 0.00 N ATOM 99 CA GLY A 7 3.456 -14.764 3.735 1.00 0.00 C ATOM 100 C GLY A 7 3.345 -16.276 3.762 1.00 0.00 C ATOM 101 O GLY A 7 4.327 -16.972 4.022 1.00 0.00 O ATOM 0 H GLY A 7 5.376 -15.019 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.619 -14.332 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.377 -14.415 2.705 1.00 0.00 H new ATOM 105 N ILE A 8 2.147 -16.785 3.495 1.00 0.00 N ATOM 106 CA ILE A 8 1.913 -18.224 3.491 1.00 0.00 C ATOM 107 C ILE A 8 1.693 -18.741 2.073 1.00 0.00 C ATOM 108 O ILE A 8 2.543 -19.435 1.516 1.00 0.00 O ATOM 109 CB ILE A 8 0.696 -18.598 4.357 1.00 0.00 C ATOM 110 CG1 ILE A 8 0.867 -18.058 5.778 1.00 0.00 C ATOM 111 CG2 ILE A 8 0.504 -20.108 4.377 1.00 0.00 C ATOM 112 CD1 ILE A 8 -0.312 -18.346 6.680 1.00 0.00 C ATOM 0 H ILE A 8 1.324 -16.223 3.279 1.00 0.00 H new ATOM 0 HA ILE A 8 2.804 -18.691 3.911 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.194 -18.144 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.765 -18.493 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.024 -16.980 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.360 -20.357 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.341 -20.468 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.394 -20.582 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.121 -17.934 7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.209 -17.888 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.457 -19.424 6.757 1.00 0.00 H new ATOM 124 N ALA A 9 0.547 -18.396 1.495 1.00 0.00 N ATOM 125 CA ALA A 9 0.217 -18.821 0.140 1.00 0.00 C ATOM 126 C ALA A 9 0.091 -17.624 -0.796 1.00 0.00 C ATOM 127 O ALA A 9 0.322 -17.737 -2.000 1.00 0.00 O ATOM 128 CB ALA A 9 -1.071 -19.631 0.141 1.00 0.00 C ATOM 0 H ALA A 9 -0.168 -17.824 1.944 1.00 0.00 H new ATOM 0 HA ALA A 9 1.029 -19.450 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.306 -19.942 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.946 -20.512 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.885 -19.020 0.531 1.00 0.00 H new ATOM 134 N THR A 10 -0.277 -16.476 -0.235 1.00 0.00 N ATOM 135 CA THR A 10 -0.436 -15.259 -1.020 1.00 0.00 C ATOM 136 C THR A 10 0.909 -14.756 -1.532 1.00 0.00 C ATOM 137 O THR A 10 0.988 -14.134 -2.593 1.00 0.00 O ATOM 138 CB THR A 10 -1.109 -14.144 -0.198 1.00 0.00 C ATOM 139 OG1 THR A 10 -1.907 -14.717 0.844 1.00 0.00 O ATOM 140 CG2 THR A 10 -1.979 -13.267 -1.086 1.00 0.00 C ATOM 0 H THR A 10 -0.470 -16.364 0.760 1.00 0.00 H new ATOM 0 HA THR A 10 -1.074 -15.510 -1.867 1.00 0.00 H new ATOM 0 HB THR A 10 -0.327 -13.525 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.330 -14.001 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.444 -12.487 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.363 -12.809 -1.860 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.754 -13.876 -1.552 1.00 0.00 H new ATOM 148 N LEU A 11 1.965 -15.028 -0.774 1.00 0.00 N ATOM 149 CA LEU A 11 3.308 -14.603 -1.151 1.00 0.00 C ATOM 150 C LEU A 11 3.705 -15.189 -2.502 1.00 0.00 C ATOM 151 O LEU A 11 4.425 -14.559 -3.278 1.00 0.00 O ATOM 152 CB LEU A 11 4.318 -15.027 -0.083 1.00 0.00 C ATOM 153 CG LEU A 11 5.487 -14.071 0.152 1.00 0.00 C ATOM 154 CD1 LEU A 11 6.247 -13.828 -1.142 1.00 0.00 C ATOM 155 CD2 LEU A 11 4.992 -12.756 0.737 1.00 0.00 C ATOM 0 H LEU A 11 1.917 -15.541 0.106 1.00 0.00 H new ATOM 0 HA LEU A 11 3.309 -13.516 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.786 -15.158 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.721 -16.001 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 11 6.168 -14.531 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.076 -13.145 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.635 -14.774 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.576 -13.390 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.838 -12.088 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.289 -12.292 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.494 -12.945 1.688 1.00 0.00 H new ATOM 167 N LEU A 12 3.229 -16.398 -2.780 1.00 0.00 N ATOM 168 CA LEU A 12 3.532 -17.069 -4.039 1.00 0.00 C ATOM 169 C LEU A 12 2.996 -16.272 -5.224 1.00 0.00 C ATOM 170 O LEU A 12 3.569 -16.300 -6.313 1.00 0.00 O ATOM 171 CB LEU A 12 2.935 -18.478 -4.046 1.00 0.00 C ATOM 172 CG LEU A 12 3.930 -19.629 -3.893 1.00 0.00 C ATOM 173 CD1 LEU A 12 3.440 -20.622 -2.850 1.00 0.00 C ATOM 174 CD2 LEU A 12 4.153 -20.322 -5.229 1.00 0.00 C ATOM 0 H LEU A 12 2.632 -16.934 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 12 4.616 -17.140 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.205 -18.546 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.391 -18.616 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 12 4.882 -19.219 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.160 -21.434 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.332 -20.118 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.476 -21.027 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.864 -21.138 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.206 -20.719 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.549 -19.606 -5.949 1.00 0.00 H new ATOM 186 N GLN A 13 1.895 -15.561 -5.002 1.00 0.00 N ATOM 187 CA GLN A 13 1.284 -14.754 -6.052 1.00 0.00 C ATOM 188 C GLN A 13 2.150 -13.543 -6.382 1.00 0.00 C ATOM 189 O GLN A 13 2.368 -13.224 -7.551 1.00 0.00 O ATOM 190 CB GLN A 13 -0.112 -14.296 -5.624 1.00 0.00 C ATOM 191 CG GLN A 13 -0.976 -15.417 -5.068 1.00 0.00 C ATOM 192 CD GLN A 13 -2.434 -15.021 -4.940 1.00 0.00 C ATOM 193 OE1 GLN A 13 -2.871 -14.553 -3.888 1.00 0.00 O ATOM 194 NE2 GLN A 13 -3.194 -15.205 -6.012 1.00 0.00 N ATOM 0 H GLN A 13 1.409 -15.527 -4.106 1.00 0.00 H new ATOM 0 HA GLN A 13 1.199 -15.371 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.014 -13.516 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.617 -13.850 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.896 -16.289 -5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.596 -15.712 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.790 -15.596 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.183 -14.955 -5.985 1.00 0.00 H new ATOM 203 N ALA A 14 2.641 -12.872 -5.345 1.00 0.00 N ATOM 204 CA ALA A 14 3.484 -11.697 -5.526 1.00 0.00 C ATOM 205 C ALA A 14 4.830 -12.076 -6.134 1.00 0.00 C ATOM 206 O ALA A 14 5.372 -11.348 -6.965 1.00 0.00 O ATOM 207 CB ALA A 14 3.686 -10.983 -4.197 1.00 0.00 C ATOM 0 H ALA A 14 2.469 -13.122 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 14 2.980 -11.021 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.318 -10.107 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.720 -10.670 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.166 -11.660 -3.490 1.00 0.00 H new ATOM 213 N GLU A 15 5.364 -13.219 -5.715 1.00 0.00 N ATOM 214 CA GLU A 15 6.648 -13.693 -6.219 1.00 0.00 C ATOM 215 C GLU A 15 6.534 -14.123 -7.678 1.00 0.00 C ATOM 216 O GLU A 15 7.387 -13.795 -8.503 1.00 0.00 O ATOM 217 CB GLU A 15 7.155 -14.860 -5.369 1.00 0.00 C ATOM 218 CG GLU A 15 8.534 -15.353 -5.774 1.00 0.00 C ATOM 219 CD GLU A 15 9.651 -14.552 -5.135 1.00 0.00 C ATOM 220 OE1 GLU A 15 9.584 -14.313 -3.911 1.00 0.00 O ATOM 221 OE2 GLU A 15 10.593 -14.164 -5.858 1.00 0.00 O ATOM 0 H GLU A 15 4.928 -13.834 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 15 7.361 -12.871 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.181 -14.553 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.447 -15.686 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.638 -16.401 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.630 -15.302 -6.859 1.00 0.00 H new ATOM 228 N LYS A 16 5.474 -14.861 -7.990 1.00 0.00 N ATOM 229 CA LYS A 16 5.246 -15.337 -9.349 1.00 0.00 C ATOM 230 C LYS A 16 5.021 -14.169 -10.305 1.00 0.00 C ATOM 231 O LYS A 16 5.652 -14.088 -11.358 1.00 0.00 O ATOM 232 CB LYS A 16 4.040 -16.279 -9.386 1.00 0.00 C ATOM 233 CG LYS A 16 4.409 -17.745 -9.233 1.00 0.00 C ATOM 234 CD LYS A 16 3.311 -18.654 -9.759 1.00 0.00 C ATOM 235 CE LYS A 16 3.169 -19.907 -8.908 1.00 0.00 C ATOM 236 NZ LYS A 16 4.390 -20.757 -8.965 1.00 0.00 N ATOM 0 H LYS A 16 4.759 -15.143 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 16 6.135 -15.881 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.348 -16.002 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.512 -16.142 -10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.337 -17.946 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.594 -17.967 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.365 -18.113 -9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.532 -18.935 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.972 -19.623 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.309 -20.483 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.229 -21.633 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.603 -20.993 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.192 -20.240 -8.552 1.00 0.00 H new ATOM 250 N GLU A 17 4.120 -13.268 -9.928 1.00 0.00 N ATOM 251 CA GLU A 17 3.814 -12.104 -10.752 1.00 0.00 C ATOM 252 C GLU A 17 5.045 -11.219 -10.922 1.00 0.00 C ATOM 253 O GLU A 17 5.365 -10.790 -12.030 1.00 0.00 O ATOM 254 CB GLU A 17 2.673 -11.296 -10.130 1.00 0.00 C ATOM 255 CG GLU A 17 1.718 -10.704 -11.152 1.00 0.00 C ATOM 256 CD GLU A 17 0.360 -10.378 -10.562 1.00 0.00 C ATOM 257 OE1 GLU A 17 0.286 -9.474 -9.704 1.00 0.00 O ATOM 258 OE2 GLU A 17 -0.630 -11.028 -10.960 1.00 0.00 O ATOM 0 H GLU A 17 3.589 -13.321 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 17 3.504 -12.458 -11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.112 -11.938 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.095 -10.490 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.155 -9.797 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.593 -11.406 -11.976 1.00 0.00 H new ATOM 265 N ALA A 18 5.731 -10.950 -9.816 1.00 0.00 N ATOM 266 CA ALA A 18 6.927 -10.118 -9.842 1.00 0.00 C ATOM 267 C ALA A 18 7.972 -10.688 -10.796 1.00 0.00 C ATOM 268 O ALA A 18 8.521 -9.970 -11.632 1.00 0.00 O ATOM 269 CB ALA A 18 7.506 -9.982 -8.442 1.00 0.00 C ATOM 0 H ALA A 18 5.478 -11.297 -8.891 1.00 0.00 H new ATOM 0 HA ALA A 18 6.644 -9.129 -10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.399 -9.358 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.767 -9.522 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.767 -10.968 -8.059 1.00 0.00 H new ATOM 275 N HIS A 19 8.243 -11.983 -10.664 1.00 0.00 N ATOM 276 CA HIS A 19 9.223 -12.649 -11.515 1.00 0.00 C ATOM 277 C HIS A 19 8.797 -12.595 -12.979 1.00 0.00 C ATOM 278 O HIS A 19 9.617 -12.359 -13.865 1.00 0.00 O ATOM 279 CB HIS A 19 9.404 -14.103 -11.078 1.00 0.00 C ATOM 280 CG HIS A 19 10.419 -14.849 -11.888 1.00 0.00 C ATOM 281 ND1 HIS A 19 10.537 -16.223 -11.865 1.00 0.00 N ATOM 282 CD2 HIS A 19 11.364 -14.406 -12.749 1.00 0.00 C ATOM 283 CE1 HIS A 19 11.512 -16.593 -12.675 1.00 0.00 C ATOM 284 NE2 HIS A 19 12.030 -15.509 -13.225 1.00 0.00 N ATOM 0 H HIS A 19 7.798 -12.591 -9.977 1.00 0.00 H new ATOM 0 HA HIS A 19 10.173 -12.125 -11.412 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.701 -14.125 -10.029 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.445 -14.617 -11.149 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.558 -13.377 -13.013 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.832 -17.608 -12.857 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.799 -15.494 -13.894 1.00 0.00 H new ATOM 292 N GLU A 20 7.509 -12.817 -13.224 1.00 0.00 N ATOM 293 CA GLU A 20 6.976 -12.795 -14.581 1.00 0.00 C ATOM 294 C GLU A 20 7.215 -11.438 -15.238 1.00 0.00 C ATOM 295 O GLU A 20 7.649 -11.361 -16.388 1.00 0.00 O ATOM 296 CB GLU A 20 5.479 -13.112 -14.570 1.00 0.00 C ATOM 297 CG GLU A 20 5.141 -14.472 -15.157 1.00 0.00 C ATOM 298 CD GLU A 20 3.685 -14.587 -15.563 1.00 0.00 C ATOM 299 OE1 GLU A 20 2.832 -13.961 -14.900 1.00 0.00 O ATOM 300 OE2 GLU A 20 3.398 -15.302 -16.546 1.00 0.00 O ATOM 0 H GLU A 20 6.817 -13.014 -12.501 1.00 0.00 H new ATOM 0 HA GLU A 20 7.497 -13.557 -15.161 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.114 -13.068 -13.544 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.949 -12.342 -15.130 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.772 -14.655 -16.027 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.373 -15.247 -14.426 1.00 0.00 H new ATOM 307 N ILE A 21 6.927 -10.371 -14.499 1.00 0.00 N ATOM 308 CA ILE A 21 7.111 -9.018 -15.009 1.00 0.00 C ATOM 309 C ILE A 21 8.584 -8.723 -15.267 1.00 0.00 C ATOM 310 O ILE A 21 8.947 -8.185 -16.313 1.00 0.00 O ATOM 311 CB ILE A 21 6.552 -7.968 -14.031 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.062 -8.213 -13.781 1.00 0.00 C ATOM 313 CG2 ILE A 21 6.780 -6.565 -14.574 1.00 0.00 C ATOM 314 CD1 ILE A 21 4.544 -7.552 -12.523 1.00 0.00 C ATOM 0 H ILE A 21 6.566 -10.418 -13.546 1.00 0.00 H new ATOM 0 HA ILE A 21 6.562 -8.957 -15.948 1.00 0.00 H new ATOM 0 HB ILE A 21 7.080 -8.060 -13.082 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.493 -7.846 -14.635 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.884 -9.287 -13.717 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.380 -5.834 -13.872 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.849 -6.395 -14.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.275 -6.460 -15.534 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.482 -7.768 -12.410 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.087 -7.937 -11.660 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.690 -6.474 -12.592 1.00 0.00 H new ATOM 326 N VAL A 22 9.431 -9.081 -14.307 1.00 0.00 N ATOM 327 CA VAL A 22 10.866 -8.857 -14.431 1.00 0.00 C ATOM 328 C VAL A 22 11.421 -9.526 -15.684 1.00 0.00 C ATOM 329 O VAL A 22 12.212 -8.935 -16.418 1.00 0.00 O ATOM 330 CB VAL A 22 11.625 -9.388 -13.200 1.00 0.00 C ATOM 331 CG1 VAL A 22 13.123 -9.175 -13.364 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.119 -8.717 -11.932 1.00 0.00 C ATOM 0 H VAL A 22 9.148 -9.527 -13.435 1.00 0.00 H new ATOM 0 HA VAL A 22 11.013 -7.779 -14.503 1.00 0.00 H new ATOM 0 HB VAL A 22 11.441 -10.459 -13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.643 -9.556 -12.485 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.471 -9.706 -14.250 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.329 -8.110 -13.474 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.666 -9.104 -11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.272 -7.640 -12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.056 -8.925 -11.809 1.00 0.00 H new ATOM 342 N SER A 23 10.999 -10.764 -15.922 1.00 0.00 N ATOM 343 CA SER A 23 11.456 -11.516 -17.085 1.00 0.00 C ATOM 344 C SER A 23 10.901 -10.915 -18.373 1.00 0.00 C ATOM 345 O SER A 23 11.627 -10.733 -19.350 1.00 0.00 O ATOM 346 CB SER A 23 11.032 -12.982 -16.969 1.00 0.00 C ATOM 347 OG SER A 23 11.848 -13.677 -16.041 1.00 0.00 O ATOM 0 H SER A 23 10.342 -11.267 -15.326 1.00 0.00 H new ATOM 0 HA SER A 23 12.544 -11.461 -17.118 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.990 -13.039 -16.655 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.097 -13.461 -17.946 1.00 0.00 H new ATOM 0 HG SER A 23 11.556 -14.611 -15.984 1.00 0.00 H new ATOM 353 N LYS A 24 9.608 -10.609 -18.366 1.00 0.00 N ATOM 354 CA LYS A 24 8.953 -10.027 -19.532 1.00 0.00 C ATOM 355 C LYS A 24 9.672 -8.759 -19.983 1.00 0.00 C ATOM 356 O LYS A 24 9.869 -8.538 -21.177 1.00 0.00 O ATOM 357 CB LYS A 24 7.490 -9.712 -19.216 1.00 0.00 C ATOM 358 CG LYS A 24 6.548 -9.961 -20.382 1.00 0.00 C ATOM 359 CD LYS A 24 5.176 -9.361 -20.129 1.00 0.00 C ATOM 360 CE LYS A 24 4.097 -10.082 -20.922 1.00 0.00 C ATOM 361 NZ LYS A 24 3.741 -11.392 -20.309 1.00 0.00 N ATOM 0 H LYS A 24 8.993 -10.754 -17.566 1.00 0.00 H new ATOM 0 HA LYS A 24 8.994 -10.755 -20.342 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.172 -10.317 -18.367 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.409 -8.669 -18.911 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.971 -9.533 -21.291 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.452 -11.034 -20.550 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.945 -9.415 -19.065 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.184 -8.305 -20.400 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.208 -9.454 -20.980 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.442 -10.241 -21.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.436 -12.052 -21.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.571 -11.783 -19.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.968 -11.257 -19.627 1.00 0.00 H new ATOM 375 N ALA A 25 10.061 -7.930 -19.020 1.00 0.00 N ATOM 376 CA ALA A 25 10.760 -6.687 -19.318 1.00 0.00 C ATOM 377 C ALA A 25 12.087 -6.958 -20.018 1.00 0.00 C ATOM 378 O ALA A 25 12.429 -6.296 -20.999 1.00 0.00 O ATOM 379 CB ALA A 25 10.987 -5.890 -18.042 1.00 0.00 C ATOM 0 H ALA A 25 9.904 -8.097 -18.026 1.00 0.00 H new ATOM 0 HA ALA A 25 10.136 -6.101 -19.993 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.510 -4.964 -18.280 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.026 -5.657 -17.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.587 -6.478 -17.348 1.00 0.00 H new ATOM 385 N ARG A 26 12.832 -7.933 -19.508 1.00 0.00 N ATOM 386 CA ARG A 26 14.123 -8.290 -20.084 1.00 0.00 C ATOM 387 C ARG A 26 13.963 -8.764 -21.525 1.00 0.00 C ATOM 388 O ARG A 26 14.705 -8.345 -22.414 1.00 0.00 O ATOM 389 CB ARG A 26 14.794 -9.381 -19.248 1.00 0.00 C ATOM 390 CG ARG A 26 16.077 -9.916 -19.862 1.00 0.00 C ATOM 391 CD ARG A 26 15.834 -11.212 -20.621 1.00 0.00 C ATOM 392 NE ARG A 26 16.913 -12.175 -20.421 1.00 0.00 N ATOM 393 CZ ARG A 26 18.101 -12.079 -21.007 1.00 0.00 C ATOM 394 NH1 ARG A 26 18.361 -11.069 -21.826 1.00 0.00 N ATOM 395 NH2 ARG A 26 19.033 -12.995 -20.775 1.00 0.00 N ATOM 0 H ARG A 26 12.564 -8.490 -18.697 1.00 0.00 H new ATOM 0 HA ARG A 26 14.753 -7.400 -20.081 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.013 -8.984 -18.257 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.094 -10.206 -19.113 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.497 -9.171 -20.538 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.814 -10.086 -19.077 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.891 -11.651 -20.295 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.734 -10.996 -21.685 1.00 0.00 H new ATOM 0 HE ARG A 26 16.745 -12.964 -19.797 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.648 -10.363 -22.007 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.274 -10.998 -22.274 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.837 -13.774 -20.146 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.945 -12.920 -21.226 1.00 0.00 H new ATOM 409 N LYS A 27 12.990 -9.641 -21.750 1.00 0.00 N ATOM 410 CA LYS A 27 12.731 -10.173 -23.082 1.00 0.00 C ATOM 411 C LYS A 27 12.382 -9.052 -24.057 1.00 0.00 C ATOM 412 O LYS A 27 12.956 -8.959 -25.142 1.00 0.00 O ATOM 413 CB LYS A 27 11.593 -11.194 -23.034 1.00 0.00 C ATOM 414 CG LYS A 27 12.053 -12.628 -23.232 1.00 0.00 C ATOM 415 CD LYS A 27 11.845 -13.459 -21.977 1.00 0.00 C ATOM 416 CE LYS A 27 12.723 -12.973 -20.834 1.00 0.00 C ATOM 417 NZ LYS A 27 13.862 -13.897 -20.578 1.00 0.00 N ATOM 0 H LYS A 27 12.367 -9.998 -21.026 1.00 0.00 H new ATOM 0 HA LYS A 27 13.638 -10.666 -23.432 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.085 -11.114 -22.073 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.861 -10.947 -23.803 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.505 -13.076 -24.061 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.108 -12.638 -23.505 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.798 -13.412 -21.678 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.069 -14.504 -22.190 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.107 -11.980 -21.068 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.122 -12.878 -19.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.315 -13.648 -19.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.512 -14.875 -20.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.556 -13.814 -21.348 1.00 0.00 H new ATOM 431 N TYR A 28 11.439 -8.204 -23.662 1.00 0.00 N ATOM 432 CA TYR A 28 11.013 -7.091 -24.501 1.00 0.00 C ATOM 433 C TYR A 28 12.159 -6.109 -24.727 1.00 0.00 C ATOM 434 O TYR A 28 12.260 -5.488 -25.785 1.00 0.00 O ATOM 435 CB TYR A 28 9.826 -6.368 -23.862 1.00 0.00 C ATOM 436 CG TYR A 28 8.484 -6.948 -24.249 1.00 0.00 C ATOM 437 CD1 TYR A 28 8.099 -8.210 -23.812 1.00 0.00 C ATOM 438 CD2 TYR A 28 7.602 -6.235 -25.051 1.00 0.00 C ATOM 439 CE1 TYR A 28 6.875 -8.744 -24.163 1.00 0.00 C ATOM 440 CE2 TYR A 28 6.375 -6.761 -25.406 1.00 0.00 C ATOM 441 CZ TYR A 28 6.016 -8.016 -24.960 1.00 0.00 C ATOM 442 OH TYR A 28 4.795 -8.544 -25.312 1.00 0.00 O ATOM 0 H TYR A 28 10.955 -8.266 -22.766 1.00 0.00 H new ATOM 0 HA TYR A 28 10.708 -7.494 -25.467 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.929 -6.405 -22.778 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.854 -5.317 -24.149 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.769 -8.783 -23.187 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.880 -5.253 -25.403 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.592 -9.726 -23.815 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.700 -6.193 -26.029 1.00 0.00 H new ATOM 0 HH TYR A 28 4.312 -7.903 -25.874 1.00 0.00 H new ATOM 452 N ARG A 29 13.021 -5.976 -23.724 1.00 0.00 N ATOM 453 CA ARG A 29 14.160 -5.070 -23.811 1.00 0.00 C ATOM 454 C ARG A 29 15.162 -5.556 -24.855 1.00 0.00 C ATOM 455 O ARG A 29 15.660 -4.772 -25.662 1.00 0.00 O ATOM 456 CB ARG A 29 14.846 -4.946 -22.449 1.00 0.00 C ATOM 457 CG ARG A 29 14.559 -3.632 -21.741 1.00 0.00 C ATOM 458 CD ARG A 29 13.086 -3.499 -21.389 1.00 0.00 C ATOM 459 NE ARG A 29 12.710 -2.113 -21.121 1.00 0.00 N ATOM 460 CZ ARG A 29 11.601 -1.764 -20.478 1.00 0.00 C ATOM 461 NH1 ARG A 29 10.764 -2.693 -20.040 1.00 0.00 N ATOM 462 NH2 ARG A 29 11.328 -0.481 -20.273 1.00 0.00 N ATOM 0 H ARG A 29 12.952 -6.484 -22.842 1.00 0.00 H new ATOM 0 HA ARG A 29 13.791 -4.090 -24.114 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.523 -5.770 -21.813 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.923 -5.049 -22.583 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.158 -3.568 -20.833 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.858 -2.801 -22.379 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.481 -3.887 -22.209 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.866 -4.110 -20.514 1.00 0.00 H new ATOM 0 HE ARG A 29 13.333 -1.373 -21.445 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.970 -3.680 -20.196 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.914 -2.421 -19.547 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.970 0.237 -20.609 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.477 -0.213 -19.779 1.00 0.00 H new ATOM 476 N GLN A 30 15.453 -6.852 -24.830 1.00 0.00 N ATOM 477 CA GLN A 30 16.397 -7.441 -25.773 1.00 0.00 C ATOM 478 C GLN A 30 15.838 -7.413 -27.191 1.00 0.00 C ATOM 479 O GLN A 30 16.544 -7.070 -28.140 1.00 0.00 O ATOM 480 CB GLN A 30 16.722 -8.880 -25.369 1.00 0.00 C ATOM 481 CG GLN A 30 18.098 -9.343 -25.822 1.00 0.00 C ATOM 482 CD GLN A 30 19.207 -8.426 -25.345 1.00 0.00 C ATOM 483 OE1 GLN A 30 19.166 -7.911 -24.228 1.00 0.00 O ATOM 484 NE2 GLN A 30 20.208 -8.218 -26.193 1.00 0.00 N ATOM 0 H GLN A 30 15.049 -7.514 -24.168 1.00 0.00 H new ATOM 0 HA GLN A 30 17.312 -6.849 -25.751 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.657 -8.968 -24.284 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.967 -9.546 -25.788 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.279 -10.351 -25.449 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.119 -9.397 -26.910 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.201 -8.666 -27.110 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.983 -7.611 -25.928 1.00 0.00 H new ATOM 493 N ASP A 31 14.567 -7.775 -27.329 1.00 0.00 N ATOM 494 CA ASP A 31 13.913 -7.790 -28.632 1.00 0.00 C ATOM 495 C ASP A 31 13.840 -6.384 -29.220 1.00 0.00 C ATOM 496 O ASP A 31 14.080 -6.184 -30.410 1.00 0.00 O ATOM 497 CB ASP A 31 12.508 -8.381 -28.514 1.00 0.00 C ATOM 498 CG ASP A 31 12.199 -9.367 -29.624 1.00 0.00 C ATOM 499 OD1 ASP A 31 12.558 -10.554 -29.480 1.00 0.00 O ATOM 500 OD2 ASP A 31 11.599 -8.951 -30.638 1.00 0.00 O ATOM 0 H ASP A 31 13.969 -8.062 -26.554 1.00 0.00 H new ATOM 0 HA ASP A 31 14.506 -8.413 -29.301 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.407 -8.880 -27.550 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.775 -7.575 -28.534 1.00 0.00 H new ATOM 505 N LYS A 32 13.505 -5.413 -28.377 1.00 0.00 N ATOM 506 CA LYS A 32 13.399 -4.025 -28.811 1.00 0.00 C ATOM 507 C LYS A 32 14.761 -3.482 -29.231 1.00 0.00 C ATOM 508 O LYS A 32 14.893 -2.855 -30.283 1.00 0.00 O ATOM 509 CB LYS A 32 12.817 -3.162 -27.690 1.00 0.00 C ATOM 510 CG LYS A 32 11.301 -3.072 -27.716 1.00 0.00 C ATOM 511 CD LYS A 32 10.832 -1.686 -28.127 1.00 0.00 C ATOM 512 CE LYS A 32 11.308 -1.328 -29.526 1.00 0.00 C ATOM 513 NZ LYS A 32 10.190 -0.859 -30.390 1.00 0.00 N ATOM 0 H LYS A 32 13.302 -5.562 -27.389 1.00 0.00 H new ATOM 0 HA LYS A 32 12.732 -3.989 -29.672 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.132 -3.569 -26.729 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.234 -2.157 -27.763 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.903 -3.812 -28.410 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.904 -3.314 -26.730 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.743 -1.643 -28.090 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.204 -0.949 -27.415 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.069 -0.550 -29.463 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.779 -2.198 -29.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.556 -0.625 -31.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.476 -1.610 -30.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.756 -0.013 -29.968 1.00 0.00 H new ATOM 527 N LEU A 33 15.771 -3.726 -28.404 1.00 0.00 N ATOM 528 CA LEU A 33 17.124 -3.263 -28.690 1.00 0.00 C ATOM 529 C LEU A 33 17.700 -3.981 -29.907 1.00 0.00 C ATOM 530 O LEU A 33 18.437 -3.392 -30.698 1.00 0.00 O ATOM 531 CB LEU A 33 18.029 -3.485 -27.477 1.00 0.00 C ATOM 532 CG LEU A 33 17.761 -2.589 -26.267 1.00 0.00 C ATOM 533 CD1 LEU A 33 18.523 -3.093 -25.051 1.00 0.00 C ATOM 534 CD2 LEU A 33 18.140 -1.148 -26.576 1.00 0.00 C ATOM 0 H LEU A 33 15.679 -4.242 -27.529 1.00 0.00 H new ATOM 0 HA LEU A 33 17.077 -2.196 -28.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.933 -4.524 -27.163 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.063 -3.340 -27.789 1.00 0.00 H new ATOM 0 HG LEU A 33 16.695 -2.623 -26.043 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.320 -2.443 -24.200 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.204 -4.108 -24.817 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.592 -3.089 -25.264 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.943 -0.525 -25.704 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.200 -1.096 -26.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.550 -0.789 -27.419 1.00 0.00 H new ATOM 546 N LYS A 34 17.358 -5.257 -30.051 1.00 0.00 N ATOM 547 CA LYS A 34 17.837 -6.056 -31.172 1.00 0.00 C ATOM 548 C LYS A 34 17.259 -5.547 -32.489 1.00 0.00 C ATOM 549 O LYS A 34 17.995 -5.292 -33.442 1.00 0.00 O ATOM 550 CB LYS A 34 17.464 -7.527 -30.973 1.00 0.00 C ATOM 551 CG LYS A 34 18.510 -8.322 -30.213 1.00 0.00 C ATOM 552 CD LYS A 34 18.692 -9.711 -30.803 1.00 0.00 C ATOM 553 CE LYS A 34 19.781 -9.728 -31.864 1.00 0.00 C ATOM 554 NZ LYS A 34 19.427 -10.613 -33.008 1.00 0.00 N ATOM 0 H LYS A 34 16.750 -5.760 -29.404 1.00 0.00 H new ATOM 0 HA LYS A 34 18.922 -5.966 -31.213 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.517 -7.584 -30.437 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.307 -7.988 -31.948 1.00 0.00 H new ATOM 0 HG2 LYS A 34 19.460 -7.789 -30.235 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.216 -8.406 -29.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.945 -10.414 -30.009 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.752 -10.048 -31.240 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.950 -8.714 -32.228 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.717 -10.067 -31.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.195 -10.597 -33.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.291 -11.585 -32.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.548 -10.275 -33.449 1.00 0.00 H new ATOM 568 N GLN A 35 15.939 -5.401 -32.534 1.00 0.00 N ATOM 569 CA GLN A 35 15.264 -4.922 -33.734 1.00 0.00 C ATOM 570 C GLN A 35 15.627 -3.469 -34.019 1.00 0.00 C ATOM 571 O GLN A 35 15.869 -3.093 -35.166 1.00 0.00 O ATOM 572 CB GLN A 35 13.748 -5.061 -33.582 1.00 0.00 C ATOM 573 CG GLN A 35 13.210 -6.402 -34.053 1.00 0.00 C ATOM 574 CD GLN A 35 11.711 -6.382 -34.281 1.00 0.00 C ATOM 575 OE1 GLN A 35 11.111 -5.320 -34.449 1.00 0.00 O ATOM 576 NE2 GLN A 35 11.097 -7.560 -34.287 1.00 0.00 N ATOM 0 H GLN A 35 15.316 -5.608 -31.753 1.00 0.00 H new ATOM 0 HA GLN A 35 15.595 -5.532 -34.575 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.482 -4.920 -32.534 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.260 -4.265 -34.145 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.711 -6.685 -34.979 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.451 -7.166 -33.314 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.634 -8.416 -34.144 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.089 -7.609 -34.435 1.00 0.00 H new ATOM 585 N ALA A 36 15.663 -2.656 -32.969 1.00 0.00 N ATOM 586 CA ALA A 36 15.999 -1.244 -33.106 1.00 0.00 C ATOM 587 C ALA A 36 17.454 -1.064 -33.525 1.00 0.00 C ATOM 588 O ALA A 36 17.792 -0.125 -34.246 1.00 0.00 O ATOM 589 CB ALA A 36 15.728 -0.507 -31.803 1.00 0.00 C ATOM 0 H ALA A 36 15.463 -2.951 -32.013 1.00 0.00 H new ATOM 0 HA ALA A 36 15.368 -0.821 -33.887 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.984 0.546 -31.921 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.673 -0.598 -31.546 1.00 0.00 H new ATOM 0 HB3 ALA A 36 16.333 -0.941 -31.007 1.00 0.00 H new ATOM 595 N LYS A 37 18.313 -1.969 -33.068 1.00 0.00 N ATOM 596 CA LYS A 37 19.732 -1.911 -33.395 1.00 0.00 C ATOM 597 C LYS A 37 19.939 -1.797 -34.902 1.00 0.00 C ATOM 598 O LYS A 37 20.709 -0.958 -35.372 1.00 0.00 O ATOM 599 CB LYS A 37 20.450 -3.154 -32.864 1.00 0.00 C ATOM 600 CG LYS A 37 21.887 -3.277 -33.341 1.00 0.00 C ATOM 601 CD LYS A 37 22.794 -3.815 -32.247 1.00 0.00 C ATOM 602 CE LYS A 37 23.902 -2.830 -31.908 1.00 0.00 C ATOM 603 NZ LYS A 37 24.518 -3.121 -30.584 1.00 0.00 N ATOM 0 H LYS A 37 18.050 -2.752 -32.469 1.00 0.00 H new ATOM 0 HA LYS A 37 20.153 -1.025 -32.920 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.438 -3.132 -31.774 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.897 -4.042 -33.171 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.929 -3.938 -34.207 1.00 0.00 H new ATOM 0 HG3 LYS A 37 22.248 -2.301 -33.667 1.00 0.00 H new ATOM 0 HD2 LYS A 37 22.205 -4.023 -31.354 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.232 -4.760 -32.568 1.00 0.00 H new ATOM 0 HE2 LYS A 37 24.669 -2.867 -32.681 1.00 0.00 H new ATOM 0 HE3 LYS A 37 23.499 -1.817 -31.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 25.268 -2.427 -30.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 23.791 -3.061 -29.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 24.925 -4.078 -30.593 1.00 0.00 H new ATOM 617 N THR A 38 19.247 -2.645 -35.656 1.00 0.00 N ATOM 618 CA THR A 38 19.355 -2.639 -37.109 1.00 0.00 C ATOM 619 C THR A 38 18.957 -1.285 -37.685 1.00 0.00 C ATOM 620 O THR A 38 19.630 -0.753 -38.568 1.00 0.00 O ATOM 621 CB THR A 38 18.473 -3.732 -37.743 1.00 0.00 C ATOM 622 OG1 THR A 38 18.265 -4.796 -36.808 1.00 0.00 O ATOM 623 CG2 THR A 38 19.116 -4.280 -39.008 1.00 0.00 C ATOM 0 H THR A 38 18.605 -3.345 -35.284 1.00 0.00 H new ATOM 0 HA THR A 38 20.399 -2.840 -37.348 1.00 0.00 H new ATOM 0 HB THR A 38 17.513 -3.287 -38.006 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.702 -5.486 -37.217 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.475 -5.050 -39.438 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.247 -3.473 -39.729 1.00 0.00 H new ATOM 0 HG23 THR A 38 20.088 -4.710 -38.765 1.00 0.00 H new ATOM 631 N ASP A 39 17.861 -0.731 -37.178 1.00 0.00 N ATOM 632 CA ASP A 39 17.375 0.564 -37.641 1.00 0.00 C ATOM 633 C ASP A 39 18.427 1.647 -37.428 1.00 0.00 C ATOM 634 O ASP A 39 18.675 2.468 -38.311 1.00 0.00 O ATOM 635 CB ASP A 39 16.084 0.938 -36.910 1.00 0.00 C ATOM 636 CG ASP A 39 15.261 1.957 -37.674 1.00 0.00 C ATOM 637 OD1 ASP A 39 15.578 2.209 -38.856 1.00 0.00 O ATOM 638 OD2 ASP A 39 14.302 2.503 -37.091 1.00 0.00 O ATOM 0 H ASP A 39 17.292 -1.158 -36.447 1.00 0.00 H new ATOM 0 HA ASP A 39 17.170 0.488 -38.709 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.487 0.040 -36.750 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.330 1.338 -35.926 1.00 0.00 H new ATOM 643 N ALA A 40 19.043 1.644 -36.250 1.00 0.00 N ATOM 644 CA ALA A 40 20.069 2.626 -35.922 1.00 0.00 C ATOM 645 C ALA A 40 21.271 2.495 -36.851 1.00 0.00 C ATOM 646 O ALA A 40 21.772 3.489 -37.377 1.00 0.00 O ATOM 647 CB ALA A 40 20.502 2.472 -34.472 1.00 0.00 C ATOM 0 H ALA A 40 18.849 0.972 -35.507 1.00 0.00 H new ATOM 0 HA ALA A 40 19.643 3.620 -36.059 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.269 3.212 -34.241 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.643 2.623 -33.818 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.905 1.471 -34.317 1.00 0.00 H new ATOM 653 N ALA A 41 21.729 1.264 -37.049 1.00 0.00 N ATOM 654 CA ALA A 41 22.872 1.004 -37.916 1.00 0.00 C ATOM 655 C ALA A 41 22.616 1.515 -39.330 1.00 0.00 C ATOM 656 O ALA A 41 23.471 2.165 -39.931 1.00 0.00 O ATOM 657 CB ALA A 41 23.188 -0.484 -37.940 1.00 0.00 C ATOM 0 H ALA A 41 21.326 0.430 -36.621 1.00 0.00 H new ATOM 0 HA ALA A 41 23.731 1.541 -37.514 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.043 -0.664 -38.591 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.423 -0.822 -36.931 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.325 -1.033 -38.315 1.00 0.00 H new ATOM 663 N LYS A 42 21.433 1.217 -39.856 1.00 0.00 N ATOM 664 CA LYS A 42 21.062 1.647 -41.199 1.00 0.00 C ATOM 665 C LYS A 42 20.906 3.163 -41.262 1.00 0.00 C ATOM 666 O LYS A 42 21.210 3.785 -42.279 1.00 0.00 O ATOM 667 CB LYS A 42 19.759 0.971 -41.632 1.00 0.00 C ATOM 668 CG LYS A 42 19.215 1.489 -42.952 1.00 0.00 C ATOM 669 CD LYS A 42 18.578 0.377 -43.768 1.00 0.00 C ATOM 670 CE LYS A 42 17.363 -0.206 -43.063 1.00 0.00 C ATOM 671 NZ LYS A 42 17.461 -1.685 -42.921 1.00 0.00 N ATOM 0 H LYS A 42 20.714 0.679 -39.372 1.00 0.00 H new ATOM 0 HA LYS A 42 21.860 1.353 -41.880 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.926 -0.103 -41.714 1.00 0.00 H new ATOM 0 HB3 LYS A 42 19.008 1.118 -40.856 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.478 2.269 -42.762 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.022 1.945 -43.525 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.283 0.763 -44.744 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.310 -0.411 -43.945 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.263 0.248 -42.077 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.462 0.046 -43.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.614 -2.044 -42.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.531 -2.120 -43.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.306 -1.925 -42.365 1.00 0.00 H new ATOM 685 N GLU A 43 20.433 3.750 -40.168 1.00 0.00 N ATOM 686 CA GLU A 43 20.238 5.194 -40.100 1.00 0.00 C ATOM 687 C GLU A 43 21.572 5.928 -40.201 1.00 0.00 C ATOM 688 O GLU A 43 21.702 6.899 -40.948 1.00 0.00 O ATOM 689 CB GLU A 43 19.532 5.575 -38.797 1.00 0.00 C ATOM 690 CG GLU A 43 18.827 6.920 -38.857 1.00 0.00 C ATOM 691 CD GLU A 43 17.337 6.810 -38.596 1.00 0.00 C ATOM 692 OE1 GLU A 43 16.643 6.146 -39.395 1.00 0.00 O ATOM 693 OE2 GLU A 43 16.865 7.387 -37.594 1.00 0.00 O ATOM 0 H GLU A 43 20.178 3.249 -39.317 1.00 0.00 H new ATOM 0 HA GLU A 43 19.614 5.491 -40.943 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.803 4.803 -38.549 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.264 5.594 -37.989 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.272 7.592 -38.123 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.988 7.367 -39.838 1.00 0.00 H new ATOM 700 N ILE A 44 22.558 5.458 -39.446 1.00 0.00 N ATOM 701 CA ILE A 44 23.882 6.069 -39.451 1.00 0.00 C ATOM 702 C ILE A 44 24.596 5.822 -40.776 1.00 0.00 C ATOM 703 O ILE A 44 25.190 6.734 -41.352 1.00 0.00 O ATOM 704 CB ILE A 44 24.755 5.531 -38.303 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.085 5.801 -36.954 1.00 0.00 C ATOM 706 CG2 ILE A 44 26.139 6.162 -38.349 1.00 0.00 C ATOM 707 CD1 ILE A 44 23.763 7.261 -36.721 1.00 0.00 C ATOM 0 H ILE A 44 22.466 4.656 -38.823 1.00 0.00 H new ATOM 0 HA ILE A 44 23.735 7.140 -39.313 1.00 0.00 H new ATOM 0 HB ILE A 44 24.864 4.453 -38.424 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.165 5.220 -36.892 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.739 5.450 -36.156 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.744 5.771 -37.531 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.616 5.923 -39.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.049 7.244 -38.250 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.290 7.378 -35.746 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.682 7.846 -36.751 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.084 7.612 -37.498 1.00 0.00 H new ATOM 719 N ASP A 45 24.531 4.585 -41.255 1.00 0.00 N ATOM 720 CA ASP A 45 25.169 4.218 -42.514 1.00 0.00 C ATOM 721 C ASP A 45 24.542 4.973 -43.681 1.00 0.00 C ATOM 722 O ASP A 45 25.246 5.524 -44.527 1.00 0.00 O ATOM 723 CB ASP A 45 25.057 2.710 -42.747 1.00 0.00 C ATOM 724 CG ASP A 45 26.235 1.947 -42.174 1.00 0.00 C ATOM 725 OD1 ASP A 45 27.359 2.490 -42.192 1.00 0.00 O ATOM 726 OD2 ASP A 45 26.033 0.805 -41.709 1.00 0.00 O ATOM 0 H ASP A 45 24.043 3.819 -40.791 1.00 0.00 H new ATOM 0 HA ASP A 45 26.222 4.491 -42.452 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.136 2.343 -42.295 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.987 2.515 -43.817 1.00 0.00 H new ATOM 731 N SER A 46 23.214 4.994 -43.721 1.00 0.00 N ATOM 732 CA SER A 46 22.491 5.678 -44.787 1.00 0.00 C ATOM 733 C SER A 46 22.719 7.185 -44.718 1.00 0.00 C ATOM 734 O SER A 46 22.867 7.849 -45.744 1.00 0.00 O ATOM 735 CB SER A 46 20.995 5.372 -44.696 1.00 0.00 C ATOM 736 OG SER A 46 20.333 5.696 -45.906 1.00 0.00 O ATOM 0 H SER A 46 22.616 4.545 -43.027 1.00 0.00 H new ATOM 0 HA SER A 46 22.871 5.314 -45.742 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.850 4.316 -44.470 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.555 5.937 -43.874 1.00 0.00 H new ATOM 0 HG SER A 46 19.379 5.490 -45.822 1.00 0.00 H new ATOM 742 N TYR A 47 22.746 7.717 -43.501 1.00 0.00 N ATOM 743 CA TYR A 47 22.953 9.146 -43.297 1.00 0.00 C ATOM 744 C TYR A 47 24.378 9.548 -43.665 1.00 0.00 C ATOM 745 O TYR A 47 24.613 10.635 -44.193 1.00 0.00 O ATOM 746 CB TYR A 47 22.665 9.521 -41.842 1.00 0.00 C ATOM 747 CG TYR A 47 23.004 10.957 -41.509 1.00 0.00 C ATOM 748 CD1 TYR A 47 22.157 11.995 -41.879 1.00 0.00 C ATOM 749 CD2 TYR A 47 24.171 11.275 -40.826 1.00 0.00 C ATOM 750 CE1 TYR A 47 22.462 13.308 -41.577 1.00 0.00 C ATOM 751 CE2 TYR A 47 24.483 12.585 -40.518 1.00 0.00 C ATOM 752 CZ TYR A 47 23.626 13.598 -40.896 1.00 0.00 C ATOM 753 OH TYR A 47 23.935 14.904 -40.593 1.00 0.00 O ATOM 0 H TYR A 47 22.627 7.181 -42.642 1.00 0.00 H new ATOM 0 HA TYR A 47 22.264 9.684 -43.948 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.609 9.348 -41.633 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.233 8.861 -41.186 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.245 11.771 -42.412 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.846 10.485 -40.531 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.793 14.103 -41.872 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.393 12.815 -39.984 1.00 0.00 H new ATOM 0 HH TYR A 47 24.788 14.935 -40.111 1.00 0.00 H new ATOM 763 N LYS A 48 25.327 8.662 -43.382 1.00 0.00 N ATOM 764 CA LYS A 48 26.730 8.920 -43.684 1.00 0.00 C ATOM 765 C LYS A 48 26.976 8.901 -45.189 1.00 0.00 C ATOM 766 O LYS A 48 27.658 9.773 -45.727 1.00 0.00 O ATOM 767 CB LYS A 48 27.620 7.882 -42.997 1.00 0.00 C ATOM 768 CG LYS A 48 29.106 8.139 -43.179 1.00 0.00 C ATOM 769 CD LYS A 48 29.689 7.281 -44.289 1.00 0.00 C ATOM 770 CE LYS A 48 30.331 6.016 -43.738 1.00 0.00 C ATOM 771 NZ LYS A 48 30.465 4.962 -44.782 1.00 0.00 N ATOM 0 H LYS A 48 25.150 7.758 -42.944 1.00 0.00 H new ATOM 0 HA LYS A 48 26.980 9.911 -43.306 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.390 7.867 -41.932 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.380 6.894 -43.389 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.268 9.192 -43.409 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.629 7.932 -42.245 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.902 7.013 -44.995 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.432 7.856 -44.842 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.315 6.254 -43.334 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.731 5.635 -42.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.906 4.117 -44.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.524 4.716 -45.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.058 5.316 -45.559 1.00 0.00 H new ATOM 785 N ILE A 49 26.416 7.902 -45.862 1.00 0.00 N ATOM 786 CA ILE A 49 26.572 7.771 -47.306 1.00 0.00 C ATOM 787 C ILE A 49 25.791 8.853 -48.043 1.00 0.00 C ATOM 788 O ILE A 49 26.206 9.317 -49.105 1.00 0.00 O ATOM 789 CB ILE A 49 26.105 6.389 -47.800 1.00 0.00 C ATOM 790 CG1 ILE A 49 24.605 6.216 -47.556 1.00 0.00 C ATOM 791 CG2 ILE A 49 26.891 5.286 -47.107 1.00 0.00 C ATOM 792 CD1 ILE A 49 24.073 4.868 -47.990 1.00 0.00 C ATOM 0 H ILE A 49 25.850 7.171 -45.431 1.00 0.00 H new ATOM 0 HA ILE A 49 27.635 7.884 -47.520 1.00 0.00 H new ATOM 0 HB ILE A 49 26.289 6.321 -48.872 1.00 0.00 H new ATOM 0 HG12 ILE A 49 24.400 6.354 -46.494 1.00 0.00 H new ATOM 0 HG13 ILE A 49 24.066 6.999 -48.089 1.00 0.00 H new ATOM 0 HG21 ILE A 49 26.550 4.315 -47.466 1.00 0.00 H new ATOM 0 HG22 ILE A 49 27.952 5.402 -47.327 1.00 0.00 H new ATOM 0 HG23 ILE A 49 26.735 5.350 -46.030 1.00 0.00 H new ATOM 0 HD11 ILE A 49 23.003 4.816 -47.787 1.00 0.00 H new ATOM 0 HD12 ILE A 49 24.246 4.735 -49.058 1.00 0.00 H new ATOM 0 HD13 ILE A 49 24.585 4.080 -47.438 1.00 0.00 H new ATOM 804 N GLN A 50 24.659 9.252 -47.472 1.00 0.00 N ATOM 805 CA GLN A 50 23.821 10.281 -48.075 1.00 0.00 C ATOM 806 C GLN A 50 24.482 11.652 -47.972 1.00 0.00 C ATOM 807 O GLN A 50 24.512 12.413 -48.939 1.00 0.00 O ATOM 808 CB GLN A 50 22.449 10.311 -47.400 1.00 0.00 C ATOM 809 CG GLN A 50 21.463 11.258 -48.066 1.00 0.00 C ATOM 810 CD GLN A 50 20.919 12.301 -47.110 1.00 0.00 C ATOM 811 OE1 GLN A 50 19.824 12.152 -46.567 1.00 0.00 O ATOM 812 NE2 GLN A 50 21.683 13.367 -46.899 1.00 0.00 N ATOM 0 H GLN A 50 24.301 8.878 -46.593 1.00 0.00 H new ATOM 0 HA GLN A 50 23.694 10.038 -49.130 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.031 9.304 -47.401 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.573 10.603 -46.357 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.953 11.757 -48.902 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.635 10.682 -48.479 1.00 0.00 H new ATOM 0 HE21 GLN A 50 22.584 13.450 -47.370 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.369 14.102 -46.266 1.00 0.00 H new ATOM 821 N LYS A 51 25.010 11.961 -46.793 1.00 0.00 N ATOM 822 CA LYS A 51 25.672 13.239 -46.562 1.00 0.00 C ATOM 823 C LYS A 51 26.988 13.318 -47.330 1.00 0.00 C ATOM 824 O LYS A 51 27.325 14.356 -47.897 1.00 0.00 O ATOM 825 CB LYS A 51 25.929 13.441 -45.067 1.00 0.00 C ATOM 826 CG LYS A 51 26.330 14.861 -44.705 1.00 0.00 C ATOM 827 CD LYS A 51 25.195 15.841 -44.950 1.00 0.00 C ATOM 828 CE LYS A 51 25.609 16.946 -45.910 1.00 0.00 C ATOM 829 NZ LYS A 51 24.518 17.937 -46.119 1.00 0.00 N ATOM 0 H LYS A 51 24.992 11.343 -45.982 1.00 0.00 H new ATOM 0 HA LYS A 51 25.014 14.030 -46.922 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.029 13.174 -44.513 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.715 12.757 -44.746 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.626 14.900 -43.657 1.00 0.00 H new ATOM 0 HG3 LYS A 51 27.199 15.156 -45.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.335 15.309 -45.356 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.881 16.279 -44.003 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.491 17.454 -45.520 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.890 16.508 -46.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.840 18.673 -46.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.684 17.457 -46.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.267 18.374 -45.209 1.00 0.00 H new ATOM 843 N ASP A 52 27.726 12.213 -47.344 1.00 0.00 N ATOM 844 CA ASP A 52 29.004 12.156 -48.044 1.00 0.00 C ATOM 845 C ASP A 52 28.802 12.265 -49.552 1.00 0.00 C ATOM 846 O ASP A 52 29.527 12.988 -50.236 1.00 0.00 O ATOM 847 CB ASP A 52 29.736 10.856 -47.708 1.00 0.00 C ATOM 848 CG ASP A 52 31.123 10.799 -48.318 1.00 0.00 C ATOM 849 OD1 ASP A 52 31.560 11.816 -48.896 1.00 0.00 O ATOM 850 OD2 ASP A 52 31.772 9.737 -48.216 1.00 0.00 O ATOM 0 H ASP A 52 27.461 11.345 -46.879 1.00 0.00 H new ATOM 0 HA ASP A 52 29.609 13.000 -47.714 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.814 10.755 -46.625 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.150 10.009 -48.065 1.00 0.00 H new ATOM 855 N LYS A 53 27.812 11.542 -50.066 1.00 0.00 N ATOM 856 CA LYS A 53 27.514 11.557 -51.493 1.00 0.00 C ATOM 857 C LYS A 53 26.904 12.893 -51.907 1.00 0.00 C ATOM 858 O LYS A 53 27.133 13.371 -53.017 1.00 0.00 O ATOM 859 CB LYS A 53 26.557 10.416 -51.847 1.00 0.00 C ATOM 860 CG LYS A 53 26.539 10.074 -53.326 1.00 0.00 C ATOM 861 CD LYS A 53 27.796 9.328 -53.742 1.00 0.00 C ATOM 862 CE LYS A 53 27.523 8.375 -54.895 1.00 0.00 C ATOM 863 NZ LYS A 53 27.753 6.956 -54.508 1.00 0.00 N ATOM 0 H LYS A 53 27.202 10.938 -49.515 1.00 0.00 H new ATOM 0 HA LYS A 53 28.449 11.420 -52.036 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.838 9.528 -51.281 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.549 10.688 -51.533 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.663 9.465 -53.549 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.448 10.989 -53.911 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.565 10.043 -54.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.187 8.769 -52.892 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.493 8.497 -55.231 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.166 8.630 -55.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.556 6.338 -55.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.742 6.833 -54.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.122 6.704 -53.721 1.00 0.00 H new ATOM 877 N GLU A 54 26.129 13.489 -51.007 1.00 0.00 N ATOM 878 CA GLU A 54 25.488 14.770 -51.280 1.00 0.00 C ATOM 879 C GLU A 54 26.520 15.892 -51.345 1.00 0.00 C ATOM 880 O GLU A 54 26.493 16.724 -52.253 1.00 0.00 O ATOM 881 CB GLU A 54 24.444 15.083 -50.206 1.00 0.00 C ATOM 882 CG GLU A 54 23.761 16.427 -50.394 1.00 0.00 C ATOM 883 CD GLU A 54 22.358 16.454 -49.820 1.00 0.00 C ATOM 884 OE1 GLU A 54 21.598 15.493 -50.063 1.00 0.00 O ATOM 885 OE2 GLU A 54 22.020 17.436 -49.126 1.00 0.00 O ATOM 0 H GLU A 54 25.930 13.106 -50.083 1.00 0.00 H new ATOM 0 HA GLU A 54 24.992 14.700 -52.248 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.688 14.298 -50.206 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.924 15.063 -49.228 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.359 17.204 -49.918 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.719 16.663 -51.457 1.00 0.00 H new ATOM 892 N LEU A 55 27.428 15.909 -50.376 1.00 0.00 N ATOM 893 CA LEU A 55 28.470 16.929 -50.322 1.00 0.00 C ATOM 894 C LEU A 55 29.531 16.681 -51.388 1.00 0.00 C ATOM 895 O LEU A 55 30.124 17.619 -51.921 1.00 0.00 O ATOM 896 CB LEU A 55 29.118 16.950 -48.936 1.00 0.00 C ATOM 897 CG LEU A 55 30.199 15.899 -48.685 1.00 0.00 C ATOM 898 CD1 LEU A 55 31.567 16.434 -49.079 1.00 0.00 C ATOM 899 CD2 LEU A 55 30.194 15.467 -47.226 1.00 0.00 C ATOM 0 H LEU A 55 27.464 15.229 -49.617 1.00 0.00 H new ATOM 0 HA LEU A 55 28.007 17.897 -50.515 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.554 17.936 -48.776 1.00 0.00 H new ATOM 0 HB3 LEU A 55 28.335 16.822 -48.189 1.00 0.00 H new ATOM 0 HG LEU A 55 29.981 15.028 -49.303 1.00 0.00 H new ATOM 0 HD11 LEU A 55 32.323 15.671 -48.893 1.00 0.00 H new ATOM 0 HD12 LEU A 55 31.565 16.693 -50.138 1.00 0.00 H new ATOM 0 HD13 LEU A 55 31.794 17.322 -48.489 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.970 14.718 -47.066 1.00 0.00 H new ATOM 0 HD22 LEU A 55 30.386 16.331 -46.590 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.222 15.042 -46.976 1.00 0.00 H new ATOM 911 N LYS A 56 29.765 15.410 -51.698 1.00 0.00 N ATOM 912 CA LYS A 56 30.752 15.037 -52.704 1.00 0.00 C ATOM 913 C LYS A 56 30.459 15.722 -54.035 1.00 0.00 C ATOM 914 O LYS A 56 31.375 16.082 -54.773 1.00 0.00 O ATOM 915 CB LYS A 56 30.769 13.518 -52.893 1.00 0.00 C ATOM 916 CG LYS A 56 31.695 13.054 -54.004 1.00 0.00 C ATOM 917 CD LYS A 56 31.852 11.542 -54.004 1.00 0.00 C ATOM 918 CE LYS A 56 31.792 10.975 -55.414 1.00 0.00 C ATOM 919 NZ LYS A 56 30.397 10.658 -55.826 1.00 0.00 N ATOM 0 H LYS A 56 29.284 14.621 -51.267 1.00 0.00 H new ATOM 0 HA LYS A 56 31.731 15.365 -52.355 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.073 13.047 -51.958 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.757 13.176 -53.108 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.301 13.380 -54.967 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.672 13.522 -53.884 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.803 11.274 -53.543 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.066 11.094 -53.397 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.223 11.693 -56.112 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.401 10.072 -55.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 30.326 10.686 -56.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 30.142 9.708 -55.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 29.746 11.358 -55.416 1.00 0.00 H new ATOM 933 N GLU A 57 29.176 15.899 -54.334 1.00 0.00 N ATOM 934 CA GLU A 57 28.763 16.542 -55.576 1.00 0.00 C ATOM 935 C GLU A 57 28.133 17.904 -55.301 1.00 0.00 C ATOM 936 O GLU A 57 27.005 18.174 -55.715 1.00 0.00 O ATOM 937 CB GLU A 57 27.774 15.653 -56.332 1.00 0.00 C ATOM 938 CG GLU A 57 26.544 15.282 -55.520 1.00 0.00 C ATOM 939 CD GLU A 57 25.252 15.701 -56.193 1.00 0.00 C ATOM 940 OE1 GLU A 57 24.883 15.075 -57.208 1.00 0.00 O ATOM 941 OE2 GLU A 57 24.610 16.654 -55.704 1.00 0.00 O ATOM 0 H GLU A 57 28.405 15.606 -53.734 1.00 0.00 H new ATOM 0 HA GLU A 57 29.651 16.690 -56.191 1.00 0.00 H new ATOM 0 HB2 GLU A 57 27.458 16.166 -57.240 1.00 0.00 H new ATOM 0 HB3 GLU A 57 28.283 14.740 -56.642 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.532 14.204 -55.358 1.00 0.00 H new ATOM 0 HG3 GLU A 57 26.606 15.751 -54.538 1.00 0.00 H new ATOM 948 N PHE A 58 28.869 18.758 -54.597 1.00 0.00 N ATOM 949 CA PHE A 58 28.382 20.092 -54.264 1.00 0.00 C ATOM 950 C PHE A 58 29.527 21.101 -54.251 1.00 0.00 C ATOM 951 O PHE A 58 29.421 22.183 -54.828 1.00 0.00 O ATOM 952 CB PHE A 58 27.684 20.078 -52.903 1.00 0.00 C ATOM 953 CG PHE A 58 26.947 21.350 -52.594 1.00 0.00 C ATOM 954 CD1 PHE A 58 25.822 21.708 -53.318 1.00 0.00 C ATOM 955 CD2 PHE A 58 27.380 22.188 -51.579 1.00 0.00 C ATOM 956 CE1 PHE A 58 25.143 22.878 -53.036 1.00 0.00 C ATOM 957 CE2 PHE A 58 26.705 23.359 -51.292 1.00 0.00 C ATOM 958 CZ PHE A 58 25.584 23.704 -52.021 1.00 0.00 C ATOM 0 H PHE A 58 29.804 18.550 -54.246 1.00 0.00 H new ATOM 0 HA PHE A 58 27.665 20.392 -55.029 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.982 19.244 -52.872 1.00 0.00 H new ATOM 0 HB3 PHE A 58 28.426 19.899 -52.125 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.471 21.065 -54.112 1.00 0.00 H new ATOM 0 HD2 PHE A 58 28.256 21.923 -51.005 1.00 0.00 H new ATOM 0 HE1 PHE A 58 24.268 23.146 -53.609 1.00 0.00 H new ATOM 0 HE2 PHE A 58 27.054 24.004 -50.499 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.053 24.618 -51.798 1.00 0.00 H new ATOM 968 N GLU A 59 30.620 20.738 -53.587 1.00 0.00 N ATOM 969 CA GLU A 59 31.784 21.612 -53.498 1.00 0.00 C ATOM 970 C GLU A 59 33.071 20.831 -53.745 1.00 0.00 C ATOM 971 O GLU A 59 34.138 21.201 -53.253 1.00 0.00 O ATOM 972 CB GLU A 59 31.838 22.286 -52.125 1.00 0.00 C ATOM 973 CG GLU A 59 30.774 23.352 -51.927 1.00 0.00 C ATOM 974 CD GLU A 59 30.556 23.694 -50.466 1.00 0.00 C ATOM 975 OE1 GLU A 59 30.487 22.759 -49.641 1.00 0.00 O ATOM 976 OE2 GLU A 59 30.453 24.897 -50.147 1.00 0.00 O ATOM 0 H GLU A 59 30.724 19.846 -53.103 1.00 0.00 H new ATOM 0 HA GLU A 59 31.692 22.378 -54.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 31.727 21.526 -51.352 1.00 0.00 H new ATOM 0 HB3 GLU A 59 32.821 22.737 -51.989 1.00 0.00 H new ATOM 0 HG2 GLU A 59 31.063 24.253 -52.468 1.00 0.00 H new ATOM 0 HG3 GLU A 59 29.835 23.007 -52.360 1.00 0.00 H new ATOM 983 N CYS A 60 32.963 19.750 -54.509 1.00 0.00 N ATOM 984 CA CYS A 60 34.117 18.915 -54.821 1.00 0.00 C ATOM 985 C CYS A 60 34.106 18.498 -56.288 1.00 0.00 C ATOM 986 O CYS A 60 34.216 19.336 -57.183 1.00 0.00 O ATOM 987 CB CYS A 60 34.133 17.676 -53.926 1.00 0.00 C ATOM 988 SG CYS A 60 35.791 17.072 -53.530 1.00 0.00 S ATOM 0 H CYS A 60 32.088 19.431 -54.924 1.00 0.00 H new ATOM 0 HA CYS A 60 35.018 19.500 -54.635 1.00 0.00 H new ATOM 0 HB2 CYS A 60 33.610 17.905 -52.997 1.00 0.00 H new ATOM 0 HB3 CYS A 60 33.575 16.879 -54.418 1.00 0.00 H new ATOM 0 HG CYS A 60 35.700 16.023 -52.767 1.00 0.00 H new TER 994 CYS A 60