USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Set 1.1: A 22 SER OG : rot 89:sc= 0.975 USER MOD Set 1.2: A 25 GLN :FLIP amide:sc= 0.85 F(o=0.98,f=1.8) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.886 K(o=1.9,f=-0.53) USER MOD Set 2.2: A 9 SER OG : rot 77:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 157:sc= -4.01! (180deg=-5.87!) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.665 (180deg=0.049) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.19! C(o=-0.19!,f=-4.1!) USER MOD Single : A 19 SER OG : rot 77:sc= 0.958 USER MOD Single : A 21 THR OG1 : rot -137:sc= 0.992 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -0.401! (180deg=-0.576!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.12) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= 0.352 (180deg=-0.0596) USER MOD Single : A 52 ASN : amide:sc= 0.289 K(o=0.29,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 57 GLN : amide:sc= -0.0265 K(o=-0.026,f=-2.5) USER MOD Single : A 58 ASN : amide:sc= -0.467 K(o=-0.47,f=-3.1!) USER MOD Single : A 59 CYS SG : rot -32:sc= -0.642 USER MOD Single : A 63 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.36) USER MOD Single : A 64 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.1) USER MOD Single : A 68 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.4!) USER MOD Single : A 71 GLN : amide:sc= -1 K(o=-1,f=-2.4) USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= 1.08 (180deg=0.151) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.028 -0.254 0.397 1.00 0.00 N ATOM 2 CA MET A 1 1.852 -0.253 -0.828 1.00 0.00 C ATOM 3 C MET A 1 1.469 -1.430 -1.711 1.00 0.00 C ATOM 4 O MET A 1 0.801 -2.355 -1.257 1.00 0.00 O ATOM 5 CB MET A 1 3.347 -0.321 -0.475 1.00 0.00 C ATOM 6 CG MET A 1 3.806 -1.675 0.057 1.00 0.00 C ATOM 7 SD MET A 1 5.534 -1.667 0.568 1.00 0.00 S ATOM 8 CE MET A 1 5.831 -3.415 0.805 1.00 0.00 C ATOM 0 H1 MET A 1 1.637 -0.093 1.225 1.00 0.00 H new ATOM 0 H2 MET A 1 0.317 0.503 0.338 1.00 0.00 H new ATOM 0 H3 MET A 1 0.549 -1.172 0.493 1.00 0.00 H new ATOM 0 HA MET A 1 1.668 0.675 -1.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.929 -0.076 -1.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.567 0.443 0.271 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.182 -1.959 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.662 -2.432 -0.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.898 -3.618 0.718 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.484 -3.712 1.795 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.291 -3.982 0.046 1.00 0.00 H new ATOM 20 N ILE A 2 1.885 -1.395 -2.961 1.00 0.00 N ATOM 21 CA ILE A 2 1.582 -2.463 -3.898 1.00 0.00 C ATOM 22 C ILE A 2 2.860 -3.153 -4.346 1.00 0.00 C ATOM 23 O ILE A 2 3.764 -2.513 -4.878 1.00 0.00 O ATOM 24 CB ILE A 2 0.835 -1.927 -5.147 1.00 0.00 C ATOM 25 CG1 ILE A 2 -0.450 -1.201 -4.732 1.00 0.00 C ATOM 26 CG2 ILE A 2 0.522 -3.066 -6.115 1.00 0.00 C ATOM 27 CD1 ILE A 2 -1.195 -0.565 -5.887 1.00 0.00 C ATOM 0 H ILE A 2 2.438 -0.634 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 2 0.938 -3.174 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 2 1.483 -1.214 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.111 -1.909 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.201 -0.429 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.002 -2.670 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.451 -3.538 -6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.107 -3.804 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.092 -0.071 -5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.553 0.169 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.477 -1.334 -6.606 1.00 0.00 H new ATOM 39 N VAL A 3 2.940 -4.449 -4.116 1.00 0.00 N ATOM 40 CA VAL A 3 4.096 -5.215 -4.536 1.00 0.00 C ATOM 41 C VAL A 3 3.701 -6.222 -5.594 1.00 0.00 C ATOM 42 O VAL A 3 2.533 -6.606 -5.694 1.00 0.00 O ATOM 43 CB VAL A 3 4.796 -5.944 -3.356 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.327 -4.945 -2.351 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.858 -6.935 -2.679 1.00 0.00 C ATOM 0 H VAL A 3 2.219 -4.993 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 3 4.811 -4.503 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 3 5.635 -6.506 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.813 -5.476 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.048 -4.288 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.502 -4.350 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.380 -7.427 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.988 -6.405 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.534 -7.682 -3.403 1.00 0.00 H new ATOM 55 N PHE A 4 4.655 -6.632 -6.390 1.00 0.00 N ATOM 56 CA PHE A 4 4.394 -7.593 -7.434 1.00 0.00 C ATOM 57 C PHE A 4 4.714 -8.990 -6.941 1.00 0.00 C ATOM 58 O PHE A 4 5.714 -9.201 -6.247 1.00 0.00 O ATOM 59 CB PHE A 4 5.211 -7.261 -8.684 1.00 0.00 C ATOM 60 CG PHE A 4 4.939 -5.886 -9.231 1.00 0.00 C ATOM 61 CD1 PHE A 4 5.928 -4.915 -9.225 1.00 0.00 C ATOM 62 CD2 PHE A 4 3.691 -5.566 -9.743 1.00 0.00 C ATOM 63 CE1 PHE A 4 5.676 -3.651 -9.721 1.00 0.00 C ATOM 64 CE2 PHE A 4 3.436 -4.302 -10.241 1.00 0.00 C ATOM 65 CZ PHE A 4 4.431 -3.344 -10.229 1.00 0.00 C ATOM 0 H PHE A 4 5.623 -6.315 -6.336 1.00 0.00 H new ATOM 0 HA PHE A 4 3.337 -7.549 -7.698 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.272 -7.346 -8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.996 -8.000 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.905 -5.149 -8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.910 -6.312 -9.753 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.454 -2.902 -9.711 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.461 -4.064 -10.639 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.234 -2.355 -10.617 1.00 0.00 H new ATOM 75 N VAL A 5 3.870 -9.942 -7.286 1.00 0.00 N ATOM 76 CA VAL A 5 4.067 -11.305 -6.855 1.00 0.00 C ATOM 77 C VAL A 5 3.781 -12.294 -7.991 1.00 0.00 C ATOM 78 O VAL A 5 2.806 -12.147 -8.731 1.00 0.00 O ATOM 79 CB VAL A 5 3.185 -11.627 -5.621 1.00 0.00 C ATOM 80 CG1 VAL A 5 1.714 -11.590 -5.970 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.558 -12.960 -5.011 1.00 0.00 C ATOM 0 H VAL A 5 3.042 -9.793 -7.863 1.00 0.00 H new ATOM 0 HA VAL A 5 5.113 -11.413 -6.569 1.00 0.00 H new ATOM 0 HB VAL A 5 3.373 -10.853 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.124 -11.820 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.451 -10.596 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.505 -12.327 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.921 -13.156 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.421 -13.749 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.601 -12.936 -4.695 1.00 0.00 H new ATOM 91 N ARG A 6 4.651 -13.270 -8.135 1.00 0.00 N ATOM 92 CA ARG A 6 4.508 -14.290 -9.151 1.00 0.00 C ATOM 93 C ARG A 6 4.062 -15.593 -8.538 1.00 0.00 C ATOM 94 O ARG A 6 4.733 -16.139 -7.665 1.00 0.00 O ATOM 95 CB ARG A 6 5.820 -14.504 -9.894 1.00 0.00 C ATOM 96 CG ARG A 6 6.210 -13.357 -10.790 1.00 0.00 C ATOM 97 CD ARG A 6 7.451 -13.675 -11.595 1.00 0.00 C ATOM 98 NE ARG A 6 7.290 -14.894 -12.393 1.00 0.00 N ATOM 99 CZ ARG A 6 7.960 -15.151 -13.516 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.816 -14.256 -14.004 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 7.763 -16.297 -14.154 1.00 0.00 N ATOM 0 H ARG A 6 5.479 -13.379 -7.550 1.00 0.00 H new ATOM 0 HA ARG A 6 3.752 -13.949 -9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.615 -14.670 -9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.742 -15.411 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.387 -13.127 -11.466 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.386 -12.467 -10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.680 -12.838 -12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.300 -13.792 -10.922 1.00 0.00 H new ATOM 0 HE ARG A 6 6.621 -15.592 -12.067 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.961 -13.371 -13.518 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.327 -14.455 -14.864 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.100 -16.979 -13.785 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.274 -16.497 -15.014 1.00 0.00 H new ATOM 115 N PHE A 7 2.943 -16.086 -8.993 1.00 0.00 N ATOM 116 CA PHE A 7 2.416 -17.336 -8.504 1.00 0.00 C ATOM 117 C PHE A 7 2.837 -18.468 -9.442 1.00 0.00 C ATOM 118 O PHE A 7 3.062 -18.241 -10.633 1.00 0.00 O ATOM 119 CB PHE A 7 0.886 -17.250 -8.386 1.00 0.00 C ATOM 120 CG PHE A 7 0.251 -18.423 -7.693 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.194 -18.474 -6.312 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.287 -19.471 -8.419 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.383 -19.548 -5.669 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.867 -20.548 -7.781 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.914 -20.588 -6.404 1.00 0.00 C ATOM 0 H PHE A 7 2.371 -15.638 -9.709 1.00 0.00 H new ATOM 0 HA PHE A 7 2.818 -17.543 -7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.626 -16.340 -7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.461 -17.160 -9.386 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.606 -17.663 -5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.252 -19.446 -9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.419 -19.575 -4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.284 -21.359 -8.360 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.365 -21.431 -5.902 1.00 0.00 H new ATOM 135 N ASN A 8 2.983 -19.667 -8.895 1.00 0.00 N ATOM 136 CA ASN A 8 3.358 -20.842 -9.687 1.00 0.00 C ATOM 137 C ASN A 8 2.367 -21.080 -10.822 1.00 0.00 C ATOM 138 O ASN A 8 1.151 -21.083 -10.603 1.00 0.00 O ATOM 139 CB ASN A 8 3.443 -22.086 -8.799 1.00 0.00 C ATOM 140 CG ASN A 8 3.705 -23.356 -9.592 1.00 0.00 C ATOM 141 OD1 ASN A 8 2.773 -24.027 -10.035 1.00 0.00 O ATOM 142 ND2 ASN A 8 4.969 -23.687 -9.782 1.00 0.00 N ATOM 0 H ASN A 8 2.848 -19.857 -7.902 1.00 0.00 H new ATOM 0 HA ASN A 8 4.339 -20.649 -10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.238 -21.950 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.512 -22.195 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.202 -24.526 -10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.712 -23.104 -9.398 1.00 0.00 H new ATOM 149 N SER A 9 2.901 -21.283 -12.032 1.00 0.00 N ATOM 150 CA SER A 9 2.092 -21.511 -13.230 1.00 0.00 C ATOM 151 C SER A 9 1.338 -20.238 -13.627 1.00 0.00 C ATOM 152 O SER A 9 0.321 -20.285 -14.323 1.00 0.00 O ATOM 153 CB SER A 9 1.122 -22.686 -13.015 1.00 0.00 C ATOM 154 OG SER A 9 1.833 -23.872 -12.675 1.00 0.00 O ATOM 0 H SER A 9 3.906 -21.293 -12.206 1.00 0.00 H new ATOM 0 HA SER A 9 2.760 -21.773 -14.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.416 -22.440 -12.222 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.539 -22.853 -13.921 1.00 0.00 H new ATOM 0 HG SER A 9 2.117 -23.826 -11.738 1.00 0.00 H new ATOM 160 N SER A 10 1.854 -19.107 -13.183 1.00 0.00 N ATOM 161 CA SER A 10 1.286 -17.812 -13.486 1.00 0.00 C ATOM 162 C SER A 10 2.403 -16.783 -13.578 1.00 0.00 C ATOM 163 O SER A 10 3.574 -17.116 -13.374 1.00 0.00 O ATOM 164 CB SER A 10 0.284 -17.409 -12.401 1.00 0.00 C ATOM 165 OG SER A 10 -0.752 -18.377 -12.282 1.00 0.00 O ATOM 0 H SER A 10 2.687 -19.064 -12.596 1.00 0.00 H new ATOM 0 HA SER A 10 0.761 -17.861 -14.440 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.799 -17.302 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.147 -16.437 -12.641 1.00 0.00 H new ATOM 0 HG SER A 10 -1.380 -18.100 -11.582 1.00 0.00 H new ATOM 171 N HIS A 11 2.059 -15.551 -13.880 1.00 0.00 N ATOM 172 CA HIS A 11 3.049 -14.503 -13.984 1.00 0.00 C ATOM 173 C HIS A 11 3.005 -13.622 -12.726 1.00 0.00 C ATOM 174 O HIS A 11 2.549 -14.067 -11.666 1.00 0.00 O ATOM 175 CB HIS A 11 2.816 -13.669 -15.257 1.00 0.00 C ATOM 176 CG HIS A 11 4.031 -12.908 -15.710 1.00 0.00 C ATOM 177 ND1 HIS A 11 4.137 -11.551 -15.527 1.00 0.00 N ATOM 178 CD2 HIS A 11 5.157 -13.365 -16.311 1.00 0.00 C ATOM 179 CE1 HIS A 11 5.319 -11.213 -16.016 1.00 0.00 C ATOM 180 NE2 HIS A 11 5.968 -12.277 -16.499 1.00 0.00 N ATOM 0 H HIS A 11 1.101 -15.250 -14.058 1.00 0.00 H new ATOM 0 HA HIS A 11 4.040 -14.950 -14.057 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.492 -14.331 -16.060 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.003 -12.965 -15.076 1.00 0.00 H new ATOM 0 HD2 HIS A 11 5.372 -14.387 -16.587 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.710 -10.206 -16.024 1.00 0.00 H new ATOM 0 HE2 HIS A 11 6.894 -12.279 -16.927 1.00 0.00 H new ATOM 188 N GLY A 12 3.481 -12.396 -12.839 1.00 0.00 N ATOM 189 CA GLY A 12 3.514 -11.507 -11.708 1.00 0.00 C ATOM 190 C GLY A 12 2.371 -10.531 -11.707 1.00 0.00 C ATOM 191 O GLY A 12 2.238 -9.722 -12.623 1.00 0.00 O ATOM 0 H GLY A 12 3.848 -12.000 -13.704 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.488 -12.093 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.456 -10.958 -11.709 1.00 0.00 H new ATOM 195 N PHE A 13 1.547 -10.605 -10.690 1.00 0.00 N ATOM 196 CA PHE A 13 0.421 -9.710 -10.556 1.00 0.00 C ATOM 197 C PHE A 13 0.594 -8.813 -9.335 1.00 0.00 C ATOM 198 O PHE A 13 1.215 -9.211 -8.344 1.00 0.00 O ATOM 199 CB PHE A 13 -0.908 -10.490 -10.503 1.00 0.00 C ATOM 200 CG PHE A 13 -0.924 -11.661 -9.556 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.279 -11.496 -8.229 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.602 -12.930 -10.007 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.310 -12.577 -7.368 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.628 -14.012 -9.152 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.983 -13.836 -7.831 1.00 0.00 C ATOM 0 H PHE A 13 1.636 -11.284 -9.934 1.00 0.00 H new ATOM 0 HA PHE A 13 0.384 -9.071 -11.439 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.704 -9.802 -10.219 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.140 -10.850 -11.505 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.534 -10.513 -7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.327 -13.074 -11.041 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.590 -12.437 -6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.371 -14.996 -9.516 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.005 -14.682 -7.160 1.00 0.00 H new ATOM 215 N PRO A 14 0.074 -7.579 -9.400 1.00 0.00 N ATOM 216 CA PRO A 14 0.201 -6.611 -8.314 1.00 0.00 C ATOM 217 C PRO A 14 -0.730 -6.910 -7.138 1.00 0.00 C ATOM 218 O PRO A 14 -1.939 -7.092 -7.313 1.00 0.00 O ATOM 219 CB PRO A 14 -0.188 -5.289 -8.978 1.00 0.00 C ATOM 220 CG PRO A 14 -1.123 -5.676 -10.071 1.00 0.00 C ATOM 221 CD PRO A 14 -0.675 -7.030 -10.551 1.00 0.00 C ATOM 0 HA PRO A 14 1.202 -6.617 -7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.666 -4.615 -8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.687 -4.770 -9.370 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.150 -5.712 -9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.096 -4.948 -10.882 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.523 -7.662 -10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.046 -6.953 -11.438 1.00 0.00 H new ATOM 229 N VAL A 15 -0.160 -6.974 -5.952 1.00 0.00 N ATOM 230 CA VAL A 15 -0.919 -7.206 -4.740 1.00 0.00 C ATOM 231 C VAL A 15 -0.739 -6.043 -3.778 1.00 0.00 C ATOM 232 O VAL A 15 0.386 -5.735 -3.359 1.00 0.00 O ATOM 233 CB VAL A 15 -0.507 -8.537 -4.039 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.169 -8.657 -2.671 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.891 -9.720 -4.897 1.00 0.00 C ATOM 0 H VAL A 15 0.843 -6.867 -5.801 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.968 -7.289 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 15 0.574 -8.528 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.867 -9.593 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.862 -7.820 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.253 -8.643 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.598 -10.643 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.969 -9.720 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.383 -9.652 -5.859 1.00 0.00 H new ATOM 245 N GLU A 16 -1.833 -5.380 -3.457 1.00 0.00 N ATOM 246 CA GLU A 16 -1.794 -4.271 -2.537 1.00 0.00 C ATOM 247 C GLU A 16 -1.792 -4.789 -1.106 1.00 0.00 C ATOM 248 O GLU A 16 -2.653 -5.581 -0.718 1.00 0.00 O ATOM 249 CB GLU A 16 -2.979 -3.334 -2.764 1.00 0.00 C ATOM 250 CG GLU A 16 -2.908 -2.065 -1.937 1.00 0.00 C ATOM 251 CD GLU A 16 -4.107 -1.172 -2.128 1.00 0.00 C ATOM 252 OE1 GLU A 16 -4.013 -0.203 -2.900 1.00 0.00 O ATOM 253 OE2 GLU A 16 -5.145 -1.429 -1.492 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.760 -5.595 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.879 -3.705 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.026 -3.069 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.902 -3.863 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.822 -2.329 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.005 -1.515 -2.202 1.00 0.00 H new ATOM 260 N VAL A 17 -0.824 -4.351 -0.338 1.00 0.00 N ATOM 261 CA VAL A 17 -0.674 -4.789 1.033 1.00 0.00 C ATOM 262 C VAL A 17 -0.559 -3.598 1.969 1.00 0.00 C ATOM 263 O VAL A 17 -0.580 -2.442 1.529 1.00 0.00 O ATOM 264 CB VAL A 17 0.576 -5.683 1.205 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.425 -6.977 0.428 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.832 -4.939 0.761 1.00 0.00 C ATOM 0 H VAL A 17 -0.117 -3.682 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.563 -5.368 1.284 1.00 0.00 H new ATOM 0 HB VAL A 17 0.674 -5.929 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.316 -7.589 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.447 -7.520 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.297 -6.753 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.701 -5.584 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.738 -4.661 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.955 -4.040 1.365 1.00 0.00 H new ATOM 276 N ASP A 18 -0.444 -3.883 3.245 1.00 0.00 N ATOM 277 CA ASP A 18 -0.283 -2.860 4.256 1.00 0.00 C ATOM 278 C ASP A 18 1.137 -2.881 4.765 1.00 0.00 C ATOM 279 O ASP A 18 1.924 -3.755 4.394 1.00 0.00 O ATOM 280 CB ASP A 18 -1.239 -3.092 5.434 1.00 0.00 C ATOM 281 CG ASP A 18 -2.695 -2.947 5.062 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.179 -1.801 4.989 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.370 -3.981 4.860 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.459 -4.834 3.614 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.512 -1.894 3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.072 -4.091 5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.003 -2.385 6.229 1.00 0.00 H new ATOM 288 N SER A 19 1.463 -1.942 5.621 1.00 0.00 N ATOM 289 CA SER A 19 2.786 -1.868 6.207 1.00 0.00 C ATOM 290 C SER A 19 3.028 -3.056 7.131 1.00 0.00 C ATOM 291 O SER A 19 4.144 -3.571 7.234 1.00 0.00 O ATOM 292 CB SER A 19 2.918 -0.565 6.992 1.00 0.00 C ATOM 293 OG SER A 19 1.790 -0.373 7.844 1.00 0.00 O ATOM 0 H SER A 19 0.824 -1.210 5.932 1.00 0.00 H new ATOM 0 HA SER A 19 3.529 -1.894 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.831 -0.584 7.588 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.006 0.274 6.302 1.00 0.00 H new ATOM 0 HG SER A 19 1.872 -0.952 8.630 1.00 0.00 H new ATOM 299 N ASP A 20 1.961 -3.506 7.767 1.00 0.00 N ATOM 300 CA ASP A 20 2.050 -4.561 8.754 1.00 0.00 C ATOM 301 C ASP A 20 1.645 -5.912 8.198 1.00 0.00 C ATOM 302 O ASP A 20 1.459 -6.864 8.957 1.00 0.00 O ATOM 303 CB ASP A 20 1.185 -4.222 9.969 1.00 0.00 C ATOM 304 CG ASP A 20 1.711 -3.046 10.758 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.750 -1.918 10.214 1.00 0.00 O ATOM 306 OD2 ASP A 20 2.074 -3.239 11.934 1.00 0.00 O1- ATOM 0 H ASP A 20 1.017 -3.152 7.614 1.00 0.00 H new ATOM 0 HA ASP A 20 3.096 -4.630 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.170 -4.005 9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.127 -5.093 10.621 1.00 0.00 H new ATOM 311 N THR A 21 1.505 -6.010 6.887 1.00 0.00 N ATOM 312 CA THR A 21 1.169 -7.278 6.274 1.00 0.00 C ATOM 313 C THR A 21 2.337 -8.245 6.420 1.00 0.00 C ATOM 314 O THR A 21 3.332 -8.130 5.720 1.00 0.00 O ATOM 315 CB THR A 21 0.824 -7.114 4.778 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.287 -6.226 4.635 1.00 0.00 O ATOM 317 CG2 THR A 21 0.483 -8.457 4.138 1.00 0.00 C ATOM 0 H THR A 21 1.618 -5.234 6.235 1.00 0.00 H new ATOM 0 HA THR A 21 0.290 -7.672 6.784 1.00 0.00 H new ATOM 0 HB THR A 21 1.698 -6.704 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.909 -6.585 3.968 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.245 -8.308 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.337 -9.129 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.376 -8.894 4.646 1.00 0.00 H new ATOM 325 N SER A 22 2.231 -9.155 7.366 1.00 0.00 N ATOM 326 CA SER A 22 3.266 -10.143 7.586 1.00 0.00 C ATOM 327 C SER A 22 3.387 -11.045 6.364 1.00 0.00 C ATOM 328 O SER A 22 2.403 -11.259 5.655 1.00 0.00 O ATOM 329 CB SER A 22 2.924 -10.978 8.815 1.00 0.00 C ATOM 330 OG SER A 22 2.371 -10.165 9.838 1.00 0.00 O ATOM 0 H SER A 22 1.434 -9.231 7.998 1.00 0.00 H new ATOM 0 HA SER A 22 4.217 -9.637 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.215 -11.760 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.821 -11.475 9.184 1.00 0.00 H new ATOM 0 HG SER A 22 1.399 -10.113 9.725 1.00 0.00 H new ATOM 336 N ILE A 23 4.585 -11.564 6.114 1.00 0.00 N ATOM 337 CA ILE A 23 4.803 -12.468 4.980 1.00 0.00 C ATOM 338 C ILE A 23 3.851 -13.674 5.074 1.00 0.00 C ATOM 339 O ILE A 23 3.372 -14.189 4.059 1.00 0.00 O ATOM 340 CB ILE A 23 6.279 -12.952 4.912 1.00 0.00 C ATOM 341 CG1 ILE A 23 7.240 -11.754 4.765 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.479 -13.941 3.767 1.00 0.00 C ATOM 343 CD1 ILE A 23 7.025 -10.940 3.508 1.00 0.00 C ATOM 0 H ILE A 23 5.417 -11.379 6.674 1.00 0.00 H new ATOM 0 HA ILE A 23 4.592 -11.914 4.065 1.00 0.00 H new ATOM 0 HB ILE A 23 6.507 -13.465 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.126 -11.102 5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.266 -12.122 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.520 -14.263 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.834 -14.807 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.226 -13.460 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.740 -10.118 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.169 -11.575 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.011 -10.540 3.503 1.00 0.00 H new ATOM 355 N PHE A 24 3.566 -14.089 6.309 1.00 0.00 N ATOM 356 CA PHE A 24 2.616 -15.166 6.576 1.00 0.00 C ATOM 357 C PHE A 24 1.245 -14.800 6.006 1.00 0.00 C ATOM 358 O PHE A 24 0.628 -15.583 5.275 1.00 0.00 O ATOM 359 CB PHE A 24 2.510 -15.385 8.091 1.00 0.00 C ATOM 360 CG PHE A 24 1.692 -16.575 8.492 1.00 0.00 C ATOM 361 CD1 PHE A 24 2.222 -17.848 8.410 1.00 0.00 C ATOM 362 CD2 PHE A 24 0.398 -16.419 8.960 1.00 0.00 C ATOM 363 CE1 PHE A 24 1.479 -18.946 8.784 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.352 -17.515 9.336 1.00 0.00 C ATOM 365 CZ PHE A 24 0.191 -18.781 9.249 1.00 0.00 C ATOM 0 H PHE A 24 3.986 -13.689 7.148 1.00 0.00 H new ATOM 0 HA PHE A 24 2.963 -16.084 6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.514 -15.496 8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.077 -14.493 8.545 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.231 -17.984 8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.029 -15.429 9.032 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.905 -19.936 8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.361 -17.382 9.697 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.392 -19.641 9.545 1.00 0.00 H new ATOM 375 N GLN A 25 0.798 -13.589 6.325 1.00 0.00 N ATOM 376 CA GLN A 25 -0.486 -13.077 5.860 1.00 0.00 C ATOM 377 C GLN A 25 -0.464 -12.843 4.354 1.00 0.00 C ATOM 378 O GLN A 25 -1.438 -13.128 3.668 1.00 0.00 O ATOM 379 CB GLN A 25 -0.831 -11.774 6.586 1.00 0.00 C ATOM 380 CG GLN A 25 -1.135 -11.944 8.067 1.00 0.00 C ATOM 381 CD GLN A 25 -1.427 -10.620 8.751 1.00 0.00 C ATOM 382 OE1 GLN A 25 -0.416 -10.022 9.352 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 -2.559 -10.152 8.761 1.00 0.00 N flip ATOM 0 H GLN A 25 1.316 -12.936 6.913 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.250 -13.822 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.001 -11.079 6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.694 -11.318 6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.991 -12.608 8.186 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.288 -12.424 8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.317 -10.641 8.286 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.743 -9.273 9.245 1.00 0.00 H new ATOM 392 N LEU A 26 0.657 -12.324 3.852 1.00 0.00 N ATOM 393 CA LEU A 26 0.828 -12.071 2.416 1.00 0.00 C ATOM 394 C LEU A 26 0.572 -13.342 1.620 1.00 0.00 C ATOM 395 O LEU A 26 -0.106 -13.318 0.589 1.00 0.00 O ATOM 396 CB LEU A 26 2.240 -11.548 2.136 1.00 0.00 C ATOM 397 CG LEU A 26 2.620 -11.392 0.658 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.685 -10.421 -0.043 1.00 0.00 C ATOM 399 CD2 LEU A 26 4.058 -10.931 0.536 1.00 0.00 C ATOM 0 H LEU A 26 1.465 -12.069 4.420 1.00 0.00 H new ATOM 0 HA LEU A 26 0.105 -11.315 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.350 -10.579 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.956 -12.223 2.605 1.00 0.00 H new ATOM 0 HG LEU A 26 2.521 -12.363 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.975 -10.328 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.662 -10.793 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.746 -9.445 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.318 -10.823 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.176 -9.971 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.716 -11.666 0.999 1.00 0.00 H new ATOM 411 N LYS A 27 1.110 -14.445 2.120 1.00 0.00 N ATOM 412 CA LYS A 27 0.906 -15.755 1.520 1.00 0.00 C ATOM 413 C LYS A 27 -0.586 -16.031 1.357 1.00 0.00 C ATOM 414 O LYS A 27 -1.043 -16.473 0.307 1.00 0.00 O ATOM 415 CB LYS A 27 1.518 -16.829 2.428 1.00 0.00 C ATOM 416 CG LYS A 27 1.267 -18.255 1.960 1.00 0.00 C ATOM 417 CD LYS A 27 1.602 -19.292 3.034 1.00 0.00 C ATOM 418 CE LYS A 27 0.514 -19.381 4.118 1.00 0.00 C ATOM 419 NZ LYS A 27 0.665 -18.350 5.186 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.700 -14.457 2.952 1.00 0.00 H new ATOM 0 HA LYS A 27 1.384 -15.776 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.593 -16.664 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.115 -16.712 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.221 -18.360 1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.865 -18.452 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.727 -20.269 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.555 -19.037 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.465 -19.271 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.542 -20.372 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.066 -18.493 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.606 -18.435 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.560 -17.402 4.771 1.00 0.00 H new ATOM 433 N GLU A 28 -1.331 -15.730 2.396 1.00 0.00 N ATOM 434 CA GLU A 28 -2.751 -15.995 2.439 1.00 0.00 C ATOM 435 C GLU A 28 -3.563 -15.013 1.600 1.00 0.00 C ATOM 436 O GLU A 28 -4.636 -15.362 1.107 1.00 0.00 O ATOM 437 CB GLU A 28 -3.211 -16.035 3.883 1.00 0.00 C ATOM 438 CG GLU A 28 -2.836 -17.337 4.556 1.00 0.00 C ATOM 439 CD GLU A 28 -2.618 -17.208 6.032 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.534 -16.760 6.736 1.00 0.00 O ATOM 441 OE2 GLU A 28 -1.525 -17.593 6.497 1.00 0.00 O1- ATOM 0 H GLU A 28 -0.966 -15.291 3.241 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.930 -16.970 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.767 -15.203 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.292 -15.903 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.623 -18.069 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.928 -17.726 4.096 1.00 0.00 H new ATOM 448 N VAL A 29 -3.056 -13.798 1.423 1.00 0.00 N ATOM 449 CA VAL A 29 -3.734 -12.822 0.572 1.00 0.00 C ATOM 450 C VAL A 29 -3.697 -13.297 -0.875 1.00 0.00 C ATOM 451 O VAL A 29 -4.679 -13.195 -1.608 1.00 0.00 O ATOM 452 CB VAL A 29 -3.098 -11.412 0.663 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.836 -10.435 -0.247 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.101 -10.911 2.099 1.00 0.00 C ATOM 0 H VAL A 29 -2.191 -13.467 1.850 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.762 -12.742 0.925 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.063 -11.481 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.377 -9.449 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.779 -10.784 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.881 -10.373 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.650 -9.920 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.127 -10.858 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.528 -11.596 2.724 1.00 0.00 H new ATOM 464 N VAL A 30 -2.560 -13.833 -1.274 1.00 0.00 N ATOM 465 CA VAL A 30 -2.403 -14.366 -2.610 1.00 0.00 C ATOM 466 C VAL A 30 -3.162 -15.686 -2.739 1.00 0.00 C ATOM 467 O VAL A 30 -3.756 -15.978 -3.782 1.00 0.00 O ATOM 468 CB VAL A 30 -0.910 -14.576 -2.960 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.752 -15.135 -4.368 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.150 -13.265 -2.818 1.00 0.00 C ATOM 0 H VAL A 30 -1.729 -13.910 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.815 -13.642 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.493 -15.302 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.307 -15.273 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.265 -16.094 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.184 -14.439 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.899 -13.424 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.575 -12.523 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.230 -12.908 -1.791 1.00 0.00 H new ATOM 480 N ALA A 31 -3.159 -16.465 -1.661 1.00 0.00 N ATOM 481 CA ALA A 31 -3.849 -17.746 -1.630 1.00 0.00 C ATOM 482 C ALA A 31 -5.341 -17.578 -1.860 1.00 0.00 C ATOM 483 O ALA A 31 -5.927 -18.266 -2.691 1.00 0.00 O ATOM 484 CB ALA A 31 -3.605 -18.449 -0.309 1.00 0.00 C ATOM 0 H ALA A 31 -2.681 -16.227 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.447 -18.356 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.128 -19.405 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.536 -18.620 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.975 -17.828 0.507 1.00 0.00 H new ATOM 490 N LYS A 32 -5.952 -16.652 -1.123 1.00 0.00 N ATOM 491 CA LYS A 32 -7.383 -16.395 -1.250 1.00 0.00 C ATOM 492 C LYS A 32 -7.708 -15.820 -2.623 1.00 0.00 C ATOM 493 O LYS A 32 -8.772 -16.080 -3.180 1.00 0.00 O ATOM 494 CB LYS A 32 -7.873 -15.436 -0.150 1.00 0.00 C ATOM 495 CG LYS A 32 -7.279 -14.038 -0.243 1.00 0.00 C ATOM 496 CD LYS A 32 -7.953 -13.063 0.705 1.00 0.00 C ATOM 497 CE LYS A 32 -7.651 -13.370 2.158 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.319 -12.404 3.065 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.478 -16.069 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.901 -17.347 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.959 -15.363 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.629 -15.860 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.213 -14.082 -0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.374 -13.672 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.624 -12.050 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.031 -13.092 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.981 -14.382 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.574 -13.340 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.093 -12.641 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.985 -11.442 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.348 -12.451 2.925 1.00 0.00 H new ATOM 512 N ARG A 33 -6.774 -15.049 -3.173 1.00 0.00 N ATOM 513 CA ARG A 33 -6.966 -14.425 -4.471 1.00 0.00 C ATOM 514 C ARG A 33 -7.027 -15.482 -5.563 1.00 0.00 C ATOM 515 O ARG A 33 -7.796 -15.372 -6.520 1.00 0.00 O ATOM 516 CB ARG A 33 -5.831 -13.447 -4.770 1.00 0.00 C ATOM 517 CG ARG A 33 -6.153 -12.476 -5.892 1.00 0.00 C ATOM 518 CD ARG A 33 -5.058 -11.443 -6.070 1.00 0.00 C ATOM 519 NE ARG A 33 -5.494 -10.330 -6.916 1.00 0.00 N ATOM 520 CZ ARG A 33 -4.750 -9.262 -7.197 1.00 0.00 C ATOM 521 NH1 ARG A 33 -3.502 -9.194 -6.770 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.256 -8.270 -7.907 1.00 0.00 N ATOM 0 H ARG A 33 -5.876 -14.843 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.909 -13.878 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.600 -12.883 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.935 -14.010 -5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.288 -13.027 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.096 -11.973 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.756 -11.062 -5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.181 -11.915 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.431 -10.376 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.107 -9.960 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.933 -8.375 -6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.218 -8.321 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.684 -7.453 -8.121 1.00 0.00 H new ATOM 536 N GLN A 34 -6.215 -16.505 -5.407 1.00 0.00 N ATOM 537 CA GLN A 34 -6.139 -17.580 -6.375 1.00 0.00 C ATOM 538 C GLN A 34 -7.070 -18.731 -6.001 1.00 0.00 C ATOM 539 O GLN A 34 -7.232 -19.679 -6.768 1.00 0.00 O ATOM 540 CB GLN A 34 -4.697 -18.071 -6.484 1.00 0.00 C ATOM 541 CG GLN A 34 -3.745 -17.027 -7.043 1.00 0.00 C ATOM 542 CD GLN A 34 -3.992 -16.748 -8.513 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.779 -15.873 -8.868 1.00 0.00 O ATOM 544 NE2 GLN A 34 -3.327 -17.491 -9.374 1.00 0.00 N ATOM 0 H GLN A 34 -5.590 -16.616 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.463 -17.197 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.350 -18.377 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.669 -18.955 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.852 -16.101 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.718 -17.366 -6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.683 -18.207 -9.039 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.456 -17.350 -10.376 1.00 0.00 H new ATOM 553 N GLY A 35 -7.679 -18.637 -4.823 1.00 0.00 N ATOM 554 CA GLY A 35 -8.583 -19.676 -4.359 1.00 0.00 C ATOM 555 C GLY A 35 -7.872 -20.997 -4.144 1.00 0.00 C ATOM 556 O GLY A 35 -8.417 -22.065 -4.434 1.00 0.00 O ATOM 0 H GLY A 35 -7.562 -17.856 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.049 -19.360 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.384 -19.810 -5.086 1.00 0.00 H new ATOM 560 N VAL A 36 -6.662 -20.928 -3.630 1.00 0.00 N ATOM 561 CA VAL A 36 -5.856 -22.115 -3.418 1.00 0.00 C ATOM 562 C VAL A 36 -5.620 -22.353 -1.930 1.00 0.00 C ATOM 563 O VAL A 36 -5.727 -21.423 -1.125 1.00 0.00 O ATOM 564 CB VAL A 36 -4.495 -22.007 -4.149 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.707 -21.851 -5.647 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.669 -20.849 -3.599 1.00 0.00 C ATOM 0 H VAL A 36 -6.211 -20.057 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.407 -22.960 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.941 -22.929 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.741 -21.776 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.247 -22.717 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.286 -20.948 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.718 -20.796 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.214 -19.915 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.483 -21.007 -2.537 1.00 0.00 H new ATOM 576 N PRO A 37 -5.327 -23.611 -1.538 1.00 0.00 N ATOM 577 CA PRO A 37 -5.037 -23.954 -0.143 1.00 0.00 C ATOM 578 C PRO A 37 -3.779 -23.250 0.363 1.00 0.00 C ATOM 579 O PRO A 37 -2.662 -23.574 -0.053 1.00 0.00 O ATOM 580 CB PRO A 37 -4.817 -25.476 -0.176 1.00 0.00 C ATOM 581 CG PRO A 37 -5.444 -25.928 -1.448 1.00 0.00 C ATOM 582 CD PRO A 37 -5.279 -24.794 -2.412 1.00 0.00 C ATOM 0 HA PRO A 37 -5.839 -23.646 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.755 -25.722 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.278 -25.960 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.962 -26.832 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.498 -26.166 -1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.335 -24.858 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.074 -24.778 -3.157 1.00 0.00 H new ATOM 590 N ALA A 38 -3.970 -22.290 1.258 1.00 0.00 N ATOM 591 CA ALA A 38 -2.870 -21.518 1.822 1.00 0.00 C ATOM 592 C ALA A 38 -1.951 -22.394 2.662 1.00 0.00 C ATOM 593 O ALA A 38 -0.773 -22.089 2.833 1.00 0.00 O ATOM 594 CB ALA A 38 -3.412 -20.372 2.659 1.00 0.00 C ATOM 0 H ALA A 38 -4.889 -22.025 1.613 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.284 -21.114 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.582 -19.802 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.022 -19.721 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.022 -20.770 3.470 1.00 0.00 H new ATOM 600 N ASP A 39 -2.499 -23.483 3.175 1.00 0.00 N ATOM 601 CA ASP A 39 -1.749 -24.423 4.003 1.00 0.00 C ATOM 602 C ASP A 39 -0.608 -25.054 3.213 1.00 0.00 C ATOM 603 O ASP A 39 0.478 -25.290 3.746 1.00 0.00 O ATOM 604 CB ASP A 39 -2.680 -25.515 4.539 1.00 0.00 C ATOM 605 CG ASP A 39 -1.970 -26.506 5.438 1.00 0.00 C ATOM 606 OD1 ASP A 39 -1.653 -27.624 4.973 1.00 0.00 O ATOM 607 OD2 ASP A 39 -1.738 -26.177 6.620 1.00 0.00 O1- ATOM 0 H ASP A 39 -3.475 -23.743 3.032 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.324 -23.872 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.496 -25.050 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.127 -26.049 3.700 1.00 0.00 H new ATOM 612 N GLN A 40 -0.855 -25.301 1.936 1.00 0.00 N ATOM 613 CA GLN A 40 0.134 -25.925 1.064 1.00 0.00 C ATOM 614 C GLN A 40 0.819 -24.886 0.187 1.00 0.00 C ATOM 615 O GLN A 40 1.382 -25.217 -0.859 1.00 0.00 O ATOM 616 CB GLN A 40 -0.529 -26.980 0.179 1.00 0.00 C ATOM 617 CG GLN A 40 -1.162 -28.128 0.942 1.00 0.00 C ATOM 618 CD GLN A 40 -1.718 -29.192 0.019 1.00 0.00 C ATOM 619 OE1 GLN A 40 -0.910 -30.186 -0.290 1.00 0.00 O flip ATOM 620 NE2 GLN A 40 -2.872 -29.123 -0.405 1.00 0.00 N flip ATOM 0 H GLN A 40 -1.738 -25.078 1.476 1.00 0.00 H new ATOM 0 HA GLN A 40 0.884 -26.401 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.294 -26.498 -0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.217 -27.382 -0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.420 -28.575 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.962 -27.744 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.466 -28.336 -0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.234 -29.852 -1.019 1.00 0.00 H new ATOM 629 N LEU A 41 0.781 -23.640 0.610 1.00 0.00 N ATOM 630 CA LEU A 41 1.384 -22.575 -0.158 1.00 0.00 C ATOM 631 C LEU A 41 2.749 -22.203 0.423 1.00 0.00 C ATOM 632 O LEU A 41 2.926 -22.161 1.642 1.00 0.00 O ATOM 633 CB LEU A 41 0.454 -21.365 -0.198 1.00 0.00 C ATOM 634 CG LEU A 41 0.759 -20.337 -1.279 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.698 -20.979 -2.649 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.216 -19.183 -1.204 1.00 0.00 C ATOM 0 H LEU A 41 0.340 -23.342 1.480 1.00 0.00 H new ATOM 0 HA LEU A 41 1.539 -22.920 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.568 -21.719 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.491 -20.868 0.772 1.00 0.00 H new ATOM 0 HG LEU A 41 1.766 -19.954 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.918 -20.232 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.431 -21.783 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.300 -21.385 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.017 -18.458 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.231 -19.554 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.138 -18.704 -0.228 1.00 0.00 H new ATOM 648 N ARG A 42 3.707 -21.943 -0.451 1.00 0.00 N ATOM 649 CA ARG A 42 5.064 -21.633 -0.033 1.00 0.00 C ATOM 650 C ARG A 42 5.570 -20.348 -0.686 1.00 0.00 C ATOM 651 O ARG A 42 5.490 -20.186 -1.901 1.00 0.00 O ATOM 652 CB ARG A 42 5.988 -22.802 -0.390 1.00 0.00 C ATOM 653 CG ARG A 42 7.441 -22.599 0.001 1.00 0.00 C ATOM 654 CD ARG A 42 7.576 -22.368 1.490 1.00 0.00 C ATOM 655 NE ARG A 42 8.952 -22.524 1.950 1.00 0.00 N ATOM 656 CZ ARG A 42 9.277 -22.866 3.197 1.00 0.00 C ATOM 657 NH1 ARG A 42 8.322 -23.047 4.106 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 10.554 -23.024 3.534 1.00 0.00 N ATOM 0 H ARG A 42 3.568 -21.941 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 42 5.063 -21.479 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.617 -23.704 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.935 -22.975 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.025 -23.473 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.851 -21.747 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.225 -21.365 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.935 -23.069 2.024 1.00 0.00 H new ATOM 0 HE ARG A 42 9.706 -22.363 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.343 -22.924 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.569 -23.309 5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.286 -22.883 2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.801 -23.286 4.488 1.00 0.00 H new ATOM 672 N VAL A 43 6.096 -19.446 0.127 1.00 0.00 N ATOM 673 CA VAL A 43 6.644 -18.196 -0.372 1.00 0.00 C ATOM 674 C VAL A 43 8.156 -18.312 -0.580 1.00 0.00 C ATOM 675 O VAL A 43 8.876 -18.809 0.292 1.00 0.00 O ATOM 676 CB VAL A 43 6.332 -17.005 0.577 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.834 -16.751 0.644 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.888 -17.254 1.976 1.00 0.00 C ATOM 0 H VAL A 43 6.155 -19.557 1.139 1.00 0.00 H new ATOM 0 HA VAL A 43 6.164 -17.997 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 43 6.820 -16.119 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.637 -15.914 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.460 -16.515 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.330 -17.642 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.654 -16.404 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.438 -18.156 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.969 -17.380 1.921 1.00 0.00 H new ATOM 688 N ILE A 44 8.629 -17.868 -1.741 1.00 0.00 N ATOM 689 CA ILE A 44 10.048 -17.938 -2.072 1.00 0.00 C ATOM 690 C ILE A 44 10.536 -16.618 -2.672 1.00 0.00 C ATOM 691 O ILE A 44 9.961 -16.100 -3.624 1.00 0.00 O ATOM 692 CB ILE A 44 10.353 -19.089 -3.083 1.00 0.00 C ATOM 693 CG1 ILE A 44 9.935 -20.457 -2.515 1.00 0.00 C ATOM 694 CG2 ILE A 44 11.837 -19.100 -3.454 1.00 0.00 C ATOM 695 CD1 ILE A 44 10.729 -20.896 -1.297 1.00 0.00 C ATOM 0 H ILE A 44 8.048 -17.455 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 44 10.575 -18.138 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 44 9.767 -18.904 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.878 -20.420 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.043 -21.210 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.030 -19.909 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.105 -18.148 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.436 -19.251 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.371 -21.869 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.785 -20.968 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.602 -20.166 -0.497 1.00 0.00 H new ATOM 707 N PHE A 45 11.588 -16.084 -2.102 1.00 0.00 N ATOM 708 CA PHE A 45 12.206 -14.870 -2.595 1.00 0.00 C ATOM 709 C PHE A 45 13.685 -14.935 -2.297 1.00 0.00 C ATOM 710 O PHE A 45 14.076 -15.452 -1.253 1.00 0.00 O ATOM 711 CB PHE A 45 11.579 -13.633 -1.945 1.00 0.00 C ATOM 712 CG PHE A 45 12.184 -12.327 -2.398 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.771 -11.733 -3.577 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.164 -11.697 -1.644 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.320 -10.538 -3.997 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.716 -10.503 -2.060 1.00 0.00 C ATOM 717 CZ PHE A 45 13.294 -9.923 -3.237 1.00 0.00 C ATOM 0 H PHE A 45 12.044 -16.478 -1.279 1.00 0.00 H new ATOM 0 HA PHE A 45 12.046 -14.788 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.511 -13.622 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.681 -13.713 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.010 -12.210 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.498 -12.147 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.988 -10.085 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.478 -10.023 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.725 -8.988 -3.564 1.00 0.00 H new ATOM 727 N ALA A 46 14.506 -14.446 -3.226 1.00 0.00 N ATOM 728 CA ALA A 46 15.969 -14.496 -3.088 1.00 0.00 C ATOM 729 C ALA A 46 16.464 -15.943 -3.112 1.00 0.00 C ATOM 730 O ALA A 46 17.620 -16.220 -2.812 1.00 0.00 O ATOM 731 CB ALA A 46 16.429 -13.788 -1.812 1.00 0.00 C ATOM 0 H ALA A 46 14.184 -14.007 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 46 16.404 -13.969 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.515 -13.842 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.118 -12.744 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.982 -14.274 -0.945 1.00 0.00 H new ATOM 737 N GLY A 47 15.574 -16.857 -3.478 1.00 0.00 N ATOM 738 CA GLY A 47 15.926 -18.257 -3.548 1.00 0.00 C ATOM 739 C GLY A 47 15.542 -19.032 -2.300 1.00 0.00 C ATOM 740 O GLY A 47 15.690 -20.250 -2.257 1.00 0.00 O ATOM 0 H GLY A 47 14.608 -16.648 -3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.436 -18.706 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.000 -18.348 -3.708 1.00 0.00 H new ATOM 744 N LYS A 48 15.037 -18.340 -1.281 1.00 0.00 N ATOM 745 CA LYS A 48 14.679 -19.013 -0.035 1.00 0.00 C ATOM 746 C LYS A 48 13.378 -18.460 0.555 1.00 0.00 C ATOM 747 O LYS A 48 12.702 -17.634 -0.061 1.00 0.00 O ATOM 748 CB LYS A 48 15.835 -18.909 0.995 1.00 0.00 C ATOM 749 CG LYS A 48 15.879 -17.614 1.827 1.00 0.00 C ATOM 750 CD LYS A 48 15.946 -16.371 0.974 1.00 0.00 C ATOM 751 CE LYS A 48 16.316 -15.147 1.805 1.00 0.00 C ATOM 752 NZ LYS A 48 15.300 -14.846 2.848 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.869 -17.334 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 48 14.512 -20.065 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.764 -19.755 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.781 -19.008 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.994 -17.566 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.745 -17.642 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.681 -16.511 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.983 -16.207 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.283 -15.312 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.426 -14.284 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.925 -13.887 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.523 -15.535 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.740 -14.905 3.789 1.00 0.00 H new ATOM 766 N GLU A 49 13.046 -18.925 1.745 1.00 0.00 N ATOM 767 CA GLU A 49 11.850 -18.494 2.442 1.00 0.00 C ATOM 768 C GLU A 49 12.083 -17.139 3.098 1.00 0.00 C ATOM 769 O GLU A 49 13.176 -16.858 3.605 1.00 0.00 O ATOM 770 CB GLU A 49 11.470 -19.516 3.522 1.00 0.00 C ATOM 771 CG GLU A 49 10.144 -19.225 4.212 1.00 0.00 C ATOM 772 CD GLU A 49 10.084 -19.779 5.621 1.00 0.00 C ATOM 773 OE1 GLU A 49 10.217 -20.996 5.797 1.00 0.00 O ATOM 774 OE2 GLU A 49 9.907 -18.986 6.565 1.00 0.00 O1- ATOM 0 H GLU A 49 13.599 -19.613 2.256 1.00 0.00 H new ATOM 0 HA GLU A 49 11.040 -18.412 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.423 -20.507 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.260 -19.546 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.984 -18.147 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.332 -19.651 3.623 1.00 0.00 H new ATOM 781 N LEU A 50 11.068 -16.305 3.071 1.00 0.00 N ATOM 782 CA LEU A 50 11.115 -15.006 3.720 1.00 0.00 C ATOM 783 C LEU A 50 10.790 -15.135 5.206 1.00 0.00 C ATOM 784 O LEU A 50 10.777 -16.236 5.756 1.00 0.00 O ATOM 785 CB LEU A 50 10.132 -14.052 3.053 1.00 0.00 C ATOM 786 CG LEU A 50 10.465 -13.660 1.626 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.399 -12.739 1.069 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.836 -13.002 1.565 1.00 0.00 C ATOM 0 H LEU A 50 10.185 -16.504 2.600 1.00 0.00 H new ATOM 0 HA LEU A 50 12.124 -14.607 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.144 -14.511 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.068 -13.145 3.655 1.00 0.00 H new ATOM 0 HG LEU A 50 10.491 -14.560 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.652 -12.467 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.435 -13.248 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.341 -11.838 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.062 -12.726 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.839 -12.108 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.591 -13.700 1.927 1.00 0.00 H new ATOM 800 N ARG A 51 10.529 -14.014 5.850 1.00 0.00 N ATOM 801 CA ARG A 51 10.229 -14.015 7.272 1.00 0.00 C ATOM 802 C ARG A 51 8.724 -13.983 7.486 1.00 0.00 C ATOM 803 O ARG A 51 8.111 -12.920 7.467 1.00 0.00 O ATOM 804 CB ARG A 51 10.878 -12.811 7.954 1.00 0.00 C ATOM 805 CG ARG A 51 12.306 -12.537 7.503 1.00 0.00 C ATOM 806 CD ARG A 51 13.203 -13.762 7.673 1.00 0.00 C ATOM 807 NE ARG A 51 13.179 -14.286 9.041 1.00 0.00 N ATOM 808 CZ ARG A 51 13.739 -15.440 9.417 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.402 -16.180 8.537 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 13.642 -15.845 10.673 1.00 0.00 N ATOM 0 H ARG A 51 10.518 -13.092 5.414 1.00 0.00 H new ATOM 0 HA ARG A 51 10.633 -14.926 7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.271 -11.926 7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.873 -12.971 9.032 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.304 -12.231 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.715 -11.705 8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.883 -14.542 6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.226 -13.500 7.405 1.00 0.00 H new ATOM 0 HE ARG A 51 12.703 -13.733 9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.486 -15.869 7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.828 -17.060 8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.140 -15.276 11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.070 -16.726 10.959 1.00 0.00 H new ATOM 824 N ASN A 52 8.137 -15.153 7.685 1.00 0.00 N ATOM 825 CA ASN A 52 6.686 -15.277 7.852 1.00 0.00 C ATOM 826 C ASN A 52 6.159 -14.440 9.011 1.00 0.00 C ATOM 827 O ASN A 52 5.047 -13.916 8.951 1.00 0.00 O ATOM 828 CB ASN A 52 6.276 -16.747 8.031 1.00 0.00 C ATOM 829 CG ASN A 52 6.104 -17.478 6.706 1.00 0.00 C ATOM 830 OD1 ASN A 52 5.023 -17.467 6.119 1.00 0.00 O ATOM 831 ND2 ASN A 52 7.153 -18.129 6.234 1.00 0.00 N ATOM 0 H ASN A 52 8.641 -16.038 7.736 1.00 0.00 H new ATOM 0 HA ASN A 52 6.234 -14.891 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.030 -17.260 8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.341 -16.793 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.081 -18.644 5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.034 -18.117 6.747 1.00 0.00 H new ATOM 838 N ASP A 53 6.965 -14.287 10.042 1.00 0.00 N ATOM 839 CA ASP A 53 6.546 -13.563 11.236 1.00 0.00 C ATOM 840 C ASP A 53 6.884 -12.074 11.153 1.00 0.00 C ATOM 841 O ASP A 53 6.669 -11.330 12.114 1.00 0.00 O ATOM 842 CB ASP A 53 7.202 -14.169 12.479 1.00 0.00 C ATOM 843 CG ASP A 53 8.670 -13.803 12.605 1.00 0.00 C ATOM 844 OD1 ASP A 53 9.442 -14.087 11.671 1.00 0.00 O ATOM 845 OD2 ASP A 53 9.057 -13.240 13.656 1.00 0.00 O1- ATOM 0 H ASP A 53 7.916 -14.653 10.082 1.00 0.00 H new ATOM 0 HA ASP A 53 5.462 -13.657 11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.670 -13.830 13.368 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.104 -15.254 12.444 1.00 0.00 H new ATOM 850 N TRP A 54 7.401 -11.628 10.019 1.00 0.00 N ATOM 851 CA TRP A 54 7.767 -10.230 9.880 1.00 0.00 C ATOM 852 C TRP A 54 6.927 -9.536 8.802 1.00 0.00 C ATOM 853 O TRP A 54 6.215 -10.194 8.037 1.00 0.00 O ATOM 854 CB TRP A 54 9.271 -10.080 9.610 1.00 0.00 C ATOM 855 CG TRP A 54 9.777 -8.691 9.851 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.516 -7.927 9.000 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.552 -7.889 11.021 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.772 -6.706 9.573 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.190 -6.657 10.808 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.873 -8.097 12.229 1.00 0.00 C ATOM 861 CZ2 TRP A 54 10.169 -5.635 11.750 1.00 0.00 C ATOM 862 CZ3 TRP A 54 8.855 -7.082 13.162 1.00 0.00 C ATOM 863 CH2 TRP A 54 9.497 -5.864 12.917 1.00 0.00 C ATOM 0 H TRP A 54 7.574 -12.204 9.195 1.00 0.00 H new ATOM 0 HA TRP A 54 7.551 -9.732 10.825 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.819 -10.775 10.246 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.478 -10.361 8.578 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.851 -8.235 8.021 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.312 -5.954 9.144 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.373 -9.034 12.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.666 -4.694 11.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.336 -7.230 14.098 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.461 -5.088 13.667 1.00 0.00 H new ATOM 874 N THR A 55 7.016 -8.209 8.756 1.00 0.00 N ATOM 875 CA THR A 55 6.230 -7.397 7.844 1.00 0.00 C ATOM 876 C THR A 55 6.753 -7.478 6.407 1.00 0.00 C ATOM 877 O THR A 55 7.926 -7.780 6.169 1.00 0.00 O ATOM 878 CB THR A 55 6.218 -5.918 8.295 1.00 0.00 C ATOM 879 OG1 THR A 55 7.543 -5.380 8.222 1.00 0.00 O ATOM 880 CG2 THR A 55 5.710 -5.794 9.726 1.00 0.00 C ATOM 0 H THR A 55 7.640 -7.669 9.355 1.00 0.00 H new ATOM 0 HA THR A 55 5.216 -7.796 7.866 1.00 0.00 H new ATOM 0 HB THR A 55 5.553 -5.364 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.531 -4.442 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.710 -4.745 10.022 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.696 -6.188 9.787 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.360 -6.360 10.393 1.00 0.00 H new ATOM 888 N VAL A 56 5.873 -7.201 5.461 1.00 0.00 N ATOM 889 CA VAL A 56 6.213 -7.234 4.054 1.00 0.00 C ATOM 890 C VAL A 56 6.936 -5.951 3.633 1.00 0.00 C ATOM 891 O VAL A 56 7.791 -5.970 2.739 1.00 0.00 O ATOM 892 CB VAL A 56 4.941 -7.432 3.181 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.008 -6.240 3.278 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.304 -7.712 1.738 1.00 0.00 C ATOM 0 H VAL A 56 4.903 -6.947 5.649 1.00 0.00 H new ATOM 0 HA VAL A 56 6.883 -8.080 3.898 1.00 0.00 H new ATOM 0 HB VAL A 56 4.413 -8.301 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.130 -6.413 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.697 -6.105 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.525 -5.344 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.394 -7.846 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.873 -6.873 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.907 -8.619 1.684 1.00 0.00 H new ATOM 904 N GLN A 57 6.610 -4.841 4.296 1.00 0.00 N ATOM 905 CA GLN A 57 7.210 -3.564 3.955 1.00 0.00 C ATOM 906 C GLN A 57 8.670 -3.521 4.358 1.00 0.00 C ATOM 907 O GLN A 57 9.527 -3.078 3.589 1.00 0.00 O ATOM 908 CB GLN A 57 6.443 -2.401 4.586 1.00 0.00 C ATOM 909 CG GLN A 57 7.095 -1.043 4.350 1.00 0.00 C ATOM 910 CD GLN A 57 6.250 0.111 4.833 1.00 0.00 C ATOM 911 OE1 GLN A 57 5.023 0.057 4.794 1.00 0.00 O ATOM 912 NE2 GLN A 57 6.901 1.158 5.299 1.00 0.00 N ATOM 0 H GLN A 57 5.940 -4.806 5.064 1.00 0.00 H new ATOM 0 HA GLN A 57 7.152 -3.456 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.430 -2.384 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.357 -2.572 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.060 -1.017 4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.291 -0.921 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.921 1.160 5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.385 1.966 5.646 1.00 0.00 H new ATOM 921 N ASN A 58 8.964 -4.011 5.543 1.00 0.00 N ATOM 922 CA ASN A 58 10.325 -4.000 6.037 1.00 0.00 C ATOM 923 C ASN A 58 11.118 -5.173 5.458 1.00 0.00 C ATOM 924 O ASN A 58 12.307 -5.322 5.717 1.00 0.00 O ATOM 925 CB ASN A 58 10.340 -4.051 7.562 1.00 0.00 C ATOM 926 CG ASN A 58 11.688 -3.682 8.149 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.123 -4.267 9.139 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.343 -2.692 7.568 1.00 0.00 N ATOM 0 H ASN A 58 8.282 -4.421 6.181 1.00 0.00 H new ATOM 0 HA ASN A 58 10.798 -3.072 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.581 -3.372 7.951 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.068 -5.054 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.243 -2.388 7.940 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.949 -2.232 6.748 1.00 0.00 H new ATOM 935 N CYS A 59 10.445 -5.998 4.660 1.00 0.00 N ATOM 936 CA CYS A 59 11.086 -7.141 4.024 1.00 0.00 C ATOM 937 C CYS A 59 11.740 -6.715 2.701 1.00 0.00 C ATOM 938 O CYS A 59 12.346 -7.533 2.001 1.00 0.00 O ATOM 939 CB CYS A 59 10.068 -8.265 3.790 1.00 0.00 C ATOM 940 SG CYS A 59 10.784 -9.820 3.202 1.00 0.00 S ATOM 0 H CYS A 59 9.455 -5.894 4.439 1.00 0.00 H new ATOM 0 HA CYS A 59 11.864 -7.519 4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.536 -8.455 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.329 -7.923 3.065 1.00 0.00 H new ATOM 0 HG CYS A 59 11.824 -9.567 2.464 1.00 0.00 H new ATOM 946 N ASP A 60 11.586 -5.423 2.367 1.00 0.00 N ATOM 947 CA ASP A 60 12.204 -4.810 1.171 1.00 0.00 C ATOM 948 C ASP A 60 11.599 -5.317 -0.137 1.00 0.00 C ATOM 949 O ASP A 60 12.123 -5.034 -1.209 1.00 0.00 O ATOM 950 CB ASP A 60 13.727 -5.037 1.148 1.00 0.00 C ATOM 951 CG ASP A 60 14.461 -4.356 2.280 1.00 0.00 C ATOM 952 OD1 ASP A 60 14.785 -3.162 2.144 1.00 0.00 O ATOM 953 OD2 ASP A 60 14.743 -5.019 3.303 1.00 0.00 O1- ATOM 0 H ASP A 60 11.029 -4.770 2.918 1.00 0.00 H new ATOM 0 HA ASP A 60 11.995 -3.743 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.926 -6.108 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.125 -4.676 0.200 1.00 0.00 H new ATOM 958 N LEU A 61 10.481 -6.027 -0.061 1.00 0.00 N ATOM 959 CA LEU A 61 9.852 -6.602 -1.266 1.00 0.00 C ATOM 960 C LEU A 61 9.335 -5.523 -2.214 1.00 0.00 C ATOM 961 O LEU A 61 9.066 -5.785 -3.381 1.00 0.00 O ATOM 962 CB LEU A 61 8.716 -7.548 -0.885 1.00 0.00 C ATOM 963 CG LEU A 61 9.103 -8.717 0.016 1.00 0.00 C ATOM 964 CD1 LEU A 61 7.919 -9.638 0.216 1.00 0.00 C ATOM 965 CD2 LEU A 61 10.284 -9.482 -0.564 1.00 0.00 C ATOM 0 H LEU A 61 9.987 -6.223 0.809 1.00 0.00 H new ATOM 0 HA LEU A 61 10.625 -7.164 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.938 -6.970 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.278 -7.948 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 61 9.403 -8.319 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.208 -10.468 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.102 -9.085 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.592 -10.025 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.541 -10.310 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.018 -9.871 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.140 -8.814 -0.657 1.00 0.00 H new ATOM 977 N ASP A 62 9.201 -4.322 -1.704 1.00 0.00 N ATOM 978 CA ASP A 62 8.726 -3.201 -2.502 1.00 0.00 C ATOM 979 C ASP A 62 9.864 -2.561 -3.283 1.00 0.00 C ATOM 980 O ASP A 62 9.661 -2.007 -4.361 1.00 0.00 O ATOM 981 CB ASP A 62 8.069 -2.162 -1.601 1.00 0.00 C ATOM 982 CG ASP A 62 7.674 -0.900 -2.338 1.00 0.00 C ATOM 983 OD1 ASP A 62 6.708 -0.941 -3.118 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.323 0.145 -2.119 1.00 0.00 O1- ATOM 0 H ASP A 62 9.414 -4.088 -0.734 1.00 0.00 H new ATOM 0 HA ASP A 62 7.993 -3.579 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.183 -2.598 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.755 -1.904 -0.794 1.00 0.00 H new ATOM 989 N GLN A 63 11.062 -2.657 -2.746 1.00 0.00 N ATOM 990 CA GLN A 63 12.214 -2.013 -3.364 1.00 0.00 C ATOM 991 C GLN A 63 13.078 -3.007 -4.148 1.00 0.00 C ATOM 992 O GLN A 63 13.819 -2.621 -5.053 1.00 0.00 O ATOM 993 CB GLN A 63 13.052 -1.310 -2.294 1.00 0.00 C ATOM 994 CG GLN A 63 14.085 -0.349 -2.853 1.00 0.00 C ATOM 995 CD GLN A 63 13.457 0.773 -3.656 1.00 0.00 C ATOM 996 OE1 GLN A 63 13.281 0.661 -4.873 1.00 0.00 O ATOM 997 NE2 GLN A 63 13.108 1.854 -2.987 1.00 0.00 N ATOM 0 H GLN A 63 11.268 -3.170 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 63 11.840 -1.278 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.386 -0.764 -1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.560 -2.063 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.664 0.075 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.783 -0.898 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.271 1.906 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.675 2.638 -3.475 1.00 0.00 H new ATOM 1006 N GLN A 64 12.982 -4.277 -3.806 1.00 0.00 N ATOM 1007 CA GLN A 64 13.801 -5.290 -4.454 1.00 0.00 C ATOM 1008 C GLN A 64 13.055 -5.966 -5.601 1.00 0.00 C ATOM 1009 O GLN A 64 12.141 -5.383 -6.191 1.00 0.00 O ATOM 1010 CB GLN A 64 14.281 -6.325 -3.427 1.00 0.00 C ATOM 1011 CG GLN A 64 15.000 -5.706 -2.237 1.00 0.00 C ATOM 1012 CD GLN A 64 16.098 -4.740 -2.647 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.736 -4.908 -3.686 1.00 0.00 O ATOM 1014 NE2 GLN A 64 16.311 -3.720 -1.846 1.00 0.00 N ATOM 0 H GLN A 64 12.351 -4.633 -3.089 1.00 0.00 H new ATOM 0 HA GLN A 64 14.672 -4.794 -4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.424 -6.895 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.950 -7.031 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.276 -5.181 -1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.431 -6.499 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.760 -3.617 -0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.027 -3.031 -2.077 1.00 0.00 H new HETATM 1023 N SEP A 65 13.472 -7.182 -5.930 1.00 0.00 N HETATM 1024 CA SEP A 65 12.880 -7.947 -7.019 1.00 0.00 C HETATM 1025 CB SEP A 65 13.731 -9.185 -7.290 1.00 0.00 C HETATM 1026 OG SEP A 65 15.091 -8.822 -7.513 1.00 0.00 O HETATM 1027 C SEP A 65 11.428 -8.348 -6.715 1.00 0.00 C HETATM 1028 O SEP A 65 10.835 -7.903 -5.726 1.00 0.00 O HETATM 1029 P SEP A 65 16.130 -9.893 -8.040 1.00 0.00 P HETATM 1030 O1P SEP A 65 17.487 -9.691 -7.545 1.00 0.00 O HETATM 1031 O2P SEP A 65 15.675 -11.274 -7.939 1.00 0.00 O HETATM 1032 O3P SEP A 65 16.237 -9.625 -9.597 1.00 0.00 O HETATM 0 HB3 SEP A 65 13.666 -9.869 -6.444 1.00 0.00 H new HETATM 0 HB2 SEP A 65 13.344 -9.716 -8.160 1.00 0.00 H new HETATM 0 HA SEP A 65 12.858 -7.315 -7.907 1.00 0.00 H new HETATM 0 H SEP A 65 14.328 -7.510 -5.482 1.00 0.00 H new ATOM 1037 N ILE A 66 10.874 -9.205 -7.550 1.00 0.00 N ATOM 1038 CA ILE A 66 9.492 -9.614 -7.414 1.00 0.00 C ATOM 1039 C ILE A 66 9.382 -10.854 -6.523 1.00 0.00 C ATOM 1040 O ILE A 66 10.280 -11.700 -6.497 1.00 0.00 O ATOM 1041 CB ILE A 66 8.867 -9.893 -8.808 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.363 -10.092 -8.714 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.506 -11.108 -9.451 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.675 -10.088 -10.061 1.00 0.00 C ATOM 0 H ILE A 66 11.365 -9.634 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 66 8.940 -8.801 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 66 9.059 -9.019 -9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.159 -11.038 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.937 -9.304 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.052 -11.284 -10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.575 -10.935 -9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.351 -11.980 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.604 -10.235 -9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.850 -9.133 -10.556 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.075 -10.894 -10.676 1.00 0.00 H new ATOM 1056 N VAL A 67 8.293 -10.939 -5.783 1.00 0.00 N ATOM 1057 CA VAL A 67 8.067 -12.045 -4.869 1.00 0.00 C ATOM 1058 C VAL A 67 7.507 -13.245 -5.622 1.00 0.00 C ATOM 1059 O VAL A 67 6.686 -13.087 -6.510 1.00 0.00 O ATOM 1060 CB VAL A 67 7.072 -11.644 -3.754 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.076 -12.662 -2.622 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.383 -10.249 -3.234 1.00 0.00 C ATOM 0 H VAL A 67 7.543 -10.248 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 67 9.024 -12.306 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 67 6.070 -11.631 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.367 -12.354 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.788 -13.639 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.075 -12.723 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.672 -9.986 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.394 -10.229 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.306 -9.531 -4.050 1.00 0.00 H new ATOM 1072 N HIS A 68 7.970 -14.431 -5.282 1.00 0.00 N ATOM 1073 CA HIS A 68 7.478 -15.650 -5.911 1.00 0.00 C ATOM 1074 C HIS A 68 6.773 -16.530 -4.890 1.00 0.00 C ATOM 1075 O HIS A 68 7.207 -16.642 -3.743 1.00 0.00 O ATOM 1076 CB HIS A 68 8.622 -16.431 -6.572 1.00 0.00 C ATOM 1077 CG HIS A 68 9.141 -15.816 -7.841 1.00 0.00 C ATOM 1078 ND1 HIS A 68 9.234 -16.548 -8.996 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.599 -14.564 -8.072 1.00 0.00 C ATOM 1080 CE1 HIS A 68 9.746 -15.733 -9.901 1.00 0.00 C ATOM 1081 NE2 HIS A 68 9.985 -14.522 -9.389 1.00 0.00 N ATOM 0 H HIS A 68 8.688 -14.581 -4.573 1.00 0.00 H new ATOM 0 HA HIS A 68 6.766 -15.362 -6.684 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.444 -16.518 -5.862 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.278 -17.443 -6.787 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.651 -13.755 -7.359 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.946 -16.010 -10.925 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.379 -13.720 -9.882 1.00 0.00 H new ATOM 1089 N ILE A 69 5.676 -17.133 -5.296 1.00 0.00 N ATOM 1090 CA ILE A 69 4.925 -18.009 -4.425 1.00 0.00 C ATOM 1091 C ILE A 69 4.524 -19.278 -5.164 1.00 0.00 C ATOM 1092 O ILE A 69 3.887 -19.223 -6.221 1.00 0.00 O ATOM 1093 CB ILE A 69 3.654 -17.322 -3.872 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.012 -16.040 -3.116 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.897 -18.270 -2.963 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.817 -15.346 -2.501 1.00 0.00 C ATOM 0 H ILE A 69 5.283 -17.031 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 69 5.575 -18.258 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 69 3.017 -17.056 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.727 -16.280 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.509 -15.352 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.005 -17.773 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.606 -19.158 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.535 -18.562 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.146 -14.446 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.111 -15.074 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.332 -16.017 -1.792 1.00 0.00 H new ATOM 1108 N VAL A 70 4.891 -20.411 -4.611 1.00 0.00 N ATOM 1109 CA VAL A 70 4.572 -21.685 -5.216 1.00 0.00 C ATOM 1110 C VAL A 70 3.621 -22.471 -4.337 1.00 0.00 C ATOM 1111 O VAL A 70 3.640 -22.344 -3.115 1.00 0.00 O ATOM 1112 CB VAL A 70 5.838 -22.530 -5.491 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.730 -21.838 -6.505 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.601 -22.800 -4.202 1.00 0.00 C ATOM 0 H VAL A 70 5.414 -20.477 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 70 4.093 -21.471 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 70 5.524 -23.488 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.616 -22.447 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.184 -21.705 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.032 -20.864 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.487 -23.396 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.902 -21.854 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.961 -23.344 -3.507 1.00 0.00 H new ATOM 1124 N GLN A 71 2.785 -23.264 -4.956 1.00 0.00 N ATOM 1125 CA GLN A 71 1.831 -24.072 -4.233 1.00 0.00 C ATOM 1126 C GLN A 71 2.168 -25.536 -4.393 1.00 0.00 C ATOM 1127 O GLN A 71 2.732 -25.937 -5.407 1.00 0.00 O ATOM 1128 CB GLN A 71 0.423 -23.825 -4.774 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.674 -24.557 -4.013 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.957 -24.654 -4.807 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.247 -23.801 -5.643 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.734 -25.691 -4.554 1.00 0.00 N ATOM 0 H GLN A 71 2.744 -23.369 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 71 1.872 -23.800 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.217 -22.755 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.389 -24.129 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.330 -25.560 -3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.869 -24.039 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.457 -26.377 -3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.612 -25.806 -5.061 1.00 0.00 H new ATOM 1141 N ARG A 72 1.857 -26.320 -3.386 1.00 0.00 N ATOM 1142 CA ARG A 72 1.998 -27.752 -3.476 1.00 0.00 C ATOM 1143 C ARG A 72 0.645 -28.337 -3.861 1.00 0.00 C ATOM 1144 O ARG A 72 -0.229 -28.504 -3.007 1.00 0.00 O ATOM 1145 CB ARG A 72 2.477 -28.344 -2.146 1.00 0.00 C ATOM 1146 CG ARG A 72 3.819 -27.803 -1.661 1.00 0.00 C ATOM 1147 CD ARG A 72 4.890 -27.904 -2.738 1.00 0.00 C ATOM 1148 NE ARG A 72 4.927 -29.232 -3.354 1.00 0.00 N ATOM 1149 CZ ARG A 72 5.654 -29.540 -4.427 1.00 0.00 C ATOM 1150 NH1 ARG A 72 6.473 -28.643 -4.966 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 5.569 -30.752 -4.957 1.00 0.00 N ATOM 0 H ARG A 72 1.503 -25.985 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 72 2.746 -28.000 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.723 -28.149 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.552 -29.426 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.704 -26.762 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.137 -28.358 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.703 -27.153 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.864 -27.679 -2.303 1.00 0.00 H new ATOM 0 HE ARG A 72 4.360 -29.969 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.548 -27.711 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.026 -28.886 -5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.948 -31.447 -4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.125 -30.989 -5.779 1.00 0.00 H new ATOM 1165 N PRO A 73 0.430 -28.619 -5.154 1.00 0.00 N ATOM 1166 CA PRO A 73 -0.848 -29.077 -5.648 1.00 0.00 C ATOM 1167 C PRO A 73 -1.071 -30.562 -5.438 1.00 0.00 C ATOM 1168 O PRO A 73 -0.528 -31.396 -6.167 1.00 0.00 O ATOM 1169 CB PRO A 73 -0.803 -28.749 -7.157 1.00 0.00 C ATOM 1170 CG PRO A 73 0.562 -28.171 -7.414 1.00 0.00 C ATOM 1171 CD PRO A 73 1.410 -28.531 -6.232 1.00 0.00 C ATOM 0 HA PRO A 73 -1.669 -28.595 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.967 -29.645 -7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.585 -28.038 -7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.987 -28.575 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.508 -27.089 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.934 -29.475 -6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.168 -27.774 -6.031 1.00 0.00 H new ATOM 1179 N TRP A 74 -1.851 -30.888 -4.430 1.00 0.00 N ATOM 1180 CA TRP A 74 -2.225 -32.263 -4.176 1.00 0.00 C ATOM 1181 C TRP A 74 -3.385 -32.617 -5.095 1.00 0.00 C ATOM 1182 O TRP A 74 -3.511 -33.747 -5.569 1.00 0.00 O ATOM 1183 CB TRP A 74 -2.620 -32.443 -2.707 1.00 0.00 C ATOM 1184 CG TRP A 74 -2.874 -33.866 -2.316 1.00 0.00 C ATOM 1185 CD1 TRP A 74 -1.935 -34.813 -2.024 1.00 0.00 C ATOM 1186 CD2 TRP A 74 -4.148 -34.505 -2.170 1.00 0.00 C ATOM 1187 NE1 TRP A 74 -2.547 -35.999 -1.706 1.00 0.00 N ATOM 1188 CE2 TRP A 74 -3.905 -35.837 -1.789 1.00 0.00 C ATOM 1189 CE3 TRP A 74 -5.470 -34.079 -2.324 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 -4.932 -36.745 -1.559 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 -6.489 -34.983 -2.095 1.00 0.00 C ATOM 1192 CH2 TRP A 74 -6.216 -36.301 -1.717 1.00 0.00 C ATOM 0 H TRP A 74 -2.241 -30.215 -3.769 1.00 0.00 H new ATOM 0 HA TRP A 74 -1.383 -32.926 -4.375 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -1.828 -32.039 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.517 -31.856 -2.508 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -0.867 -34.652 -2.041 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -2.068 -36.862 -1.449 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.691 -33.063 -2.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.724 -37.764 -1.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.515 -34.666 -2.210 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -7.036 -36.983 -1.546 1.00 0.00 H new ATOM 1203 N ARG A 75 -4.215 -31.621 -5.351 1.00 0.00 N ATOM 1204 CA ARG A 75 -5.339 -31.749 -6.244 1.00 0.00 C ATOM 1205 C ARG A 75 -5.229 -30.702 -7.343 1.00 0.00 C ATOM 1206 O ARG A 75 -5.532 -29.524 -7.131 1.00 0.00 O ATOM 1207 CB ARG A 75 -6.660 -31.587 -5.481 1.00 0.00 C ATOM 1208 CG ARG A 75 -7.879 -31.478 -6.382 1.00 0.00 C ATOM 1209 CD ARG A 75 -9.153 -31.306 -5.578 1.00 0.00 C ATOM 1210 NE ARG A 75 -10.284 -30.936 -6.432 1.00 0.00 N ATOM 1211 CZ ARG A 75 -11.534 -31.372 -6.270 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -11.829 -32.237 -5.302 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -12.487 -30.946 -7.081 1.00 0.00 N ATOM 0 H ARG A 75 -4.121 -30.693 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.329 -32.744 -6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.789 -32.438 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.601 -30.696 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.758 -30.632 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.956 -32.372 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.381 -32.234 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.004 -30.539 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.102 -30.298 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.096 -32.572 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.788 -32.565 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.265 -30.287 -7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.444 -31.277 -6.961 1.00 0.00 H new ATOM 1227 N LYS A 76 -4.756 -31.119 -8.492 1.00 0.00 N ATOM 1228 CA LYS A 76 -4.598 -30.228 -9.619 1.00 0.00 C ATOM 1229 C LYS A 76 -4.981 -30.926 -10.909 1.00 0.00 C ATOM 1230 O LYS A 76 -4.323 -31.926 -11.263 1.00 0.00 O ATOM 1231 CB LYS A 76 -3.162 -29.698 -9.702 1.00 0.00 C ATOM 1232 CG LYS A 76 -2.887 -28.772 -10.895 1.00 0.00 C ATOM 1233 CD LYS A 76 -3.357 -27.326 -10.660 1.00 0.00 C ATOM 1234 CE LYS A 76 -4.880 -27.164 -10.721 1.00 0.00 C ATOM 1235 NZ LYS A 76 -5.468 -27.726 -11.974 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -5.928 -30.458 -11.569 1.00 0.00 O ATOM 0 H LYS A 76 -4.470 -32.081 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.266 -29.379 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.934 -29.160 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.479 -30.546 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.818 -28.770 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.386 -29.170 -11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.002 -26.990 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.900 -26.677 -11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.329 -27.659 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.132 -26.106 -10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.253 -27.121 -12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.738 -27.762 -12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.823 -28.686 -11.791 1.00 0.00 H new TER 1250 LYS A 76