USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 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 10 SER OG : rot -143:sc= 0.122 USER MOD Set 1.2: A 34 GLN : amide:sc= -0.733 K(o=-0.61,f=-1.4!) USER MOD Set 2.1: A 22 SER OG : rot -119:sc= 0.0432 USER MOD Set 2.2: A 25 GLN : amide:sc= 0.65 K(o=0.69,f=-4.4!) USER MOD Set 3.1: A 19 SER OG : rot -45:sc= 0.633 USER MOD Set 3.2: A 57 GLN :FLIP amide:sc= 0.149 F(o=-0.41,f=0.78) USER MOD Set 4.1: A 8 ASN : amide:sc= -0.0887 X(o=-0.077,f=0) USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.135) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0665 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 21 THR OG1 : rot -130:sc= 0.928 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 0.931 (180deg=0.537) USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= -1.23 (180deg=-3.01!) USER MOD Single : A 40 GLN : amide:sc= 0.271 X(o=0.27,f=-0.0093) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0192 (180deg=-0.153) USER MOD Single : A 52 ASN : amide:sc= -0.047 K(o=-0.047,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 153:sc= 0.739 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.372 F(o=-1.2,f=-0.37) USER MOD Single : A 59 CYS SG : rot 114:sc= 0.806 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0433 F(o=-1.3!,f=-0.043) USER MOD Single : A 64 GLN : amide:sc= 0.717 K(o=0.72,f=-0.21) USER MOD Single : A 68 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.067) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.682 0.027 0.330 1.00 0.00 N ATOM 2 CA MET A 1 3.505 -0.123 -0.879 1.00 0.00 C ATOM 3 C MET A 1 3.015 -1.298 -1.705 1.00 0.00 C ATOM 4 O MET A 1 2.444 -2.254 -1.168 1.00 0.00 O ATOM 5 CB MET A 1 4.994 -0.303 -0.522 1.00 0.00 C ATOM 6 CG MET A 1 5.330 -1.612 0.186 1.00 0.00 C ATOM 7 SD MET A 1 7.098 -1.767 0.531 1.00 0.00 S ATOM 8 CE MET A 1 7.190 -3.437 1.166 1.00 0.00 C ATOM 0 H1 MET A 1 3.287 0.304 1.129 1.00 0.00 H new ATOM 0 H2 MET A 1 1.961 0.760 0.171 1.00 0.00 H new ATOM 0 H3 MET A 1 2.215 -0.877 0.546 1.00 0.00 H new ATOM 0 HA MET A 1 3.409 0.789 -1.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.582 -0.240 -1.437 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.303 0.527 0.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.773 -1.671 1.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.007 -2.450 -0.431 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.032 -3.519 1.854 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.266 -3.677 1.692 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.328 -4.134 0.339 1.00 0.00 H new ATOM 20 N ILE A 2 3.229 -1.225 -3.002 1.00 0.00 N ATOM 21 CA ILE A 2 2.804 -2.267 -3.909 1.00 0.00 C ATOM 22 C ILE A 2 3.991 -3.107 -4.343 1.00 0.00 C ATOM 23 O ILE A 2 4.922 -2.605 -4.972 1.00 0.00 O ATOM 24 CB ILE A 2 2.112 -1.675 -5.157 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.897 -0.840 -4.736 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.703 -2.785 -6.121 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.167 -0.185 -5.887 1.00 0.00 C ATOM 0 H ILE A 2 3.702 -0.443 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 2 2.088 -2.894 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 2 2.816 -1.024 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.200 -1.480 -4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.225 -0.067 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.217 -2.348 -6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.588 -3.337 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.011 -3.463 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.679 0.386 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.847 0.483 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.194 -0.952 -6.572 1.00 0.00 H new ATOM 39 N VAL A 3 3.960 -4.377 -3.999 1.00 0.00 N ATOM 40 CA VAL A 3 5.026 -5.282 -4.368 1.00 0.00 C ATOM 41 C VAL A 3 4.578 -6.162 -5.524 1.00 0.00 C ATOM 42 O VAL A 3 3.389 -6.225 -5.838 1.00 0.00 O ATOM 43 CB VAL A 3 5.479 -6.165 -3.174 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.960 -5.297 -2.022 1.00 0.00 C ATOM 45 CG2 VAL A 3 4.359 -7.086 -2.714 1.00 0.00 C ATOM 0 H VAL A 3 3.206 -4.806 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 3 5.881 -4.679 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 3 6.308 -6.787 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.274 -5.933 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.802 -4.689 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.149 -4.647 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.707 -7.692 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.503 -6.489 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.064 -7.738 -3.536 1.00 0.00 H new ATOM 55 N PHE A 4 5.512 -6.827 -6.159 1.00 0.00 N ATOM 56 CA PHE A 4 5.189 -7.682 -7.282 1.00 0.00 C ATOM 57 C PHE A 4 5.357 -9.137 -6.904 1.00 0.00 C ATOM 58 O PHE A 4 6.295 -9.496 -6.185 1.00 0.00 O ATOM 59 CB PHE A 4 6.054 -7.328 -8.491 1.00 0.00 C ATOM 60 CG PHE A 4 5.893 -5.903 -8.926 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.881 -4.971 -8.666 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.743 -5.492 -9.580 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.727 -3.655 -9.052 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.585 -4.179 -9.971 1.00 0.00 C ATOM 65 CZ PHE A 4 5.576 -3.259 -9.708 1.00 0.00 C ATOM 0 H PHE A 4 6.503 -6.795 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 4 4.146 -7.520 -7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.101 -7.513 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.797 -7.987 -9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.783 -5.276 -8.156 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.961 -6.208 -9.786 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.504 -2.935 -8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.685 -3.872 -10.483 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.454 -2.230 -10.014 1.00 0.00 H new ATOM 75 N VAL A 5 4.456 -9.975 -7.379 1.00 0.00 N ATOM 76 CA VAL A 5 4.487 -11.376 -7.030 1.00 0.00 C ATOM 77 C VAL A 5 4.191 -12.278 -8.246 1.00 0.00 C ATOM 78 O VAL A 5 3.390 -11.934 -9.121 1.00 0.00 O ATOM 79 CB VAL A 5 3.492 -11.664 -5.872 1.00 0.00 C ATOM 80 CG1 VAL A 5 2.063 -11.385 -6.287 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.636 -13.071 -5.347 1.00 0.00 C ATOM 0 H VAL A 5 3.697 -9.708 -8.006 1.00 0.00 H new ATOM 0 HA VAL A 5 5.496 -11.613 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 5 3.744 -10.983 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.394 -11.597 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.965 -10.338 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.800 -12.019 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.923 -13.232 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.440 -13.781 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.649 -13.218 -4.972 1.00 0.00 H new ATOM 91 N ARG A 6 4.880 -13.409 -8.297 1.00 0.00 N ATOM 92 CA ARG A 6 4.734 -14.393 -9.359 1.00 0.00 C ATOM 93 C ARG A 6 4.178 -15.683 -8.781 1.00 0.00 C ATOM 94 O ARG A 6 4.857 -16.356 -8.004 1.00 0.00 O ATOM 95 CB ARG A 6 6.100 -14.698 -9.984 1.00 0.00 C ATOM 96 CG ARG A 6 6.811 -13.495 -10.568 1.00 0.00 C ATOM 97 CD ARG A 6 6.591 -13.381 -12.064 1.00 0.00 C ATOM 98 NE ARG A 6 7.185 -14.508 -12.785 1.00 0.00 N ATOM 99 CZ ARG A 6 7.762 -14.423 -13.988 1.00 0.00 C ATOM 100 NH1 ARG A 6 7.808 -13.262 -14.634 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.285 -15.506 -14.547 1.00 0.00 N ATOM 0 H ARG A 6 5.567 -13.672 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 6 4.060 -13.992 -10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.740 -15.148 -9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.967 -15.441 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.454 -12.589 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.879 -13.569 -10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.522 -13.338 -12.273 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.024 -12.448 -12.426 1.00 0.00 H new ATOM 0 HE ARG A 6 7.157 -15.424 -12.337 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.401 -12.427 -14.212 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.250 -13.206 -15.551 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.246 -16.401 -14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.726 -15.444 -15.465 1.00 0.00 H new ATOM 115 N PHE A 7 2.962 -16.027 -9.134 1.00 0.00 N ATOM 116 CA PHE A 7 2.382 -17.264 -8.651 1.00 0.00 C ATOM 117 C PHE A 7 2.625 -18.375 -9.667 1.00 0.00 C ATOM 118 O PHE A 7 2.541 -18.147 -10.867 1.00 0.00 O ATOM 119 CB PHE A 7 0.880 -17.102 -8.368 1.00 0.00 C ATOM 120 CG PHE A 7 0.286 -18.270 -7.631 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.333 -18.326 -6.251 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.303 -19.319 -8.317 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.192 -19.404 -5.570 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.834 -20.399 -7.641 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.776 -20.443 -6.267 1.00 0.00 C ATOM 0 H PHE A 7 2.359 -15.478 -9.746 1.00 0.00 H new ATOM 0 HA PHE A 7 2.864 -17.530 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.723 -16.195 -7.785 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.351 -16.970 -9.312 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.786 -17.516 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.347 -19.292 -9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.146 -19.436 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.294 -21.208 -8.189 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.186 -21.288 -5.735 1.00 0.00 H new ATOM 135 N ASN A 8 2.936 -19.571 -9.171 1.00 0.00 N ATOM 136 CA ASN A 8 3.224 -20.739 -10.024 1.00 0.00 C ATOM 137 C ASN A 8 2.175 -20.934 -11.122 1.00 0.00 C ATOM 138 O ASN A 8 2.512 -21.062 -12.296 1.00 0.00 O ATOM 139 CB ASN A 8 3.321 -22.012 -9.169 1.00 0.00 C ATOM 140 CG ASN A 8 3.550 -23.267 -10.003 1.00 0.00 C ATOM 141 OD1 ASN A 8 4.687 -23.622 -10.306 1.00 0.00 O ATOM 142 ND2 ASN A 8 2.476 -23.948 -10.366 1.00 0.00 N ATOM 0 H ASN A 8 2.997 -19.765 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 8 4.179 -20.547 -10.512 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.136 -21.903 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.404 -22.127 -8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.575 -24.801 -10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.549 -23.621 -10.095 1.00 0.00 H new ATOM 149 N SER A 9 0.918 -20.941 -10.740 1.00 0.00 N ATOM 150 CA SER A 9 -0.172 -21.166 -11.679 1.00 0.00 C ATOM 151 C SER A 9 -0.748 -19.846 -12.199 1.00 0.00 C ATOM 152 O SER A 9 -1.927 -19.770 -12.550 1.00 0.00 O ATOM 153 CB SER A 9 -1.264 -21.980 -10.993 1.00 0.00 C ATOM 154 OG SER A 9 -0.721 -23.156 -10.412 1.00 0.00 O ATOM 0 H SER A 9 0.617 -20.792 -9.777 1.00 0.00 H new ATOM 0 HA SER A 9 0.218 -21.714 -12.536 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.745 -21.377 -10.223 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.034 -22.248 -11.716 1.00 0.00 H new ATOM 0 HG SER A 9 -1.435 -23.665 -9.975 1.00 0.00 H new ATOM 160 N SER A 10 0.079 -18.823 -12.266 1.00 0.00 N ATOM 161 CA SER A 10 -0.361 -17.529 -12.730 1.00 0.00 C ATOM 162 C SER A 10 0.820 -16.771 -13.328 1.00 0.00 C ATOM 163 O SER A 10 1.881 -17.351 -13.578 1.00 0.00 O ATOM 164 CB SER A 10 -0.964 -16.738 -11.560 1.00 0.00 C ATOM 165 OG SER A 10 -1.820 -15.703 -12.014 1.00 0.00 O ATOM 0 H SER A 10 1.064 -18.866 -12.003 1.00 0.00 H new ATOM 0 HA SER A 10 -1.124 -17.657 -13.498 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.522 -17.414 -10.913 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.162 -16.310 -10.958 1.00 0.00 H new ATOM 0 HG SER A 10 -1.726 -14.921 -11.430 1.00 0.00 H new ATOM 171 N HIS A 11 0.631 -15.496 -13.567 1.00 0.00 N ATOM 172 CA HIS A 11 1.682 -14.660 -14.093 1.00 0.00 C ATOM 173 C HIS A 11 2.098 -13.634 -13.050 1.00 0.00 C ATOM 174 O HIS A 11 1.662 -13.703 -11.902 1.00 0.00 O ATOM 175 CB HIS A 11 1.240 -13.976 -15.395 1.00 0.00 C ATOM 176 CG HIS A 11 1.049 -14.934 -16.537 1.00 0.00 C ATOM 177 ND1 HIS A 11 -0.180 -15.125 -17.122 1.00 0.00 N ATOM 178 CD2 HIS A 11 1.962 -15.722 -17.156 1.00 0.00 C ATOM 179 CE1 HIS A 11 0.013 -16.024 -18.077 1.00 0.00 C ATOM 180 NE2 HIS A 11 1.292 -16.413 -18.134 1.00 0.00 N ATOM 0 H HIS A 11 -0.251 -15.011 -13.403 1.00 0.00 H new ATOM 0 HA HIS A 11 2.543 -15.286 -14.328 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.306 -13.443 -15.218 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.984 -13.231 -15.676 1.00 0.00 H new ATOM 0 HD2 HIS A 11 3.014 -15.792 -16.924 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.765 -16.396 -18.728 1.00 0.00 H new ATOM 0 HE2 HIS A 11 1.692 -17.093 -18.781 1.00 0.00 H new ATOM 188 N GLY A 12 2.942 -12.701 -13.438 1.00 0.00 N ATOM 189 CA GLY A 12 3.383 -11.687 -12.509 1.00 0.00 C ATOM 190 C GLY A 12 2.356 -10.596 -12.327 1.00 0.00 C ATOM 191 O GLY A 12 1.964 -9.939 -13.291 1.00 0.00 O ATOM 0 H GLY A 12 3.331 -12.625 -14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.596 -12.148 -11.544 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.316 -11.250 -12.866 1.00 0.00 H new ATOM 195 N PHE A 13 1.906 -10.412 -11.104 1.00 0.00 N ATOM 196 CA PHE A 13 0.934 -9.380 -10.801 1.00 0.00 C ATOM 197 C PHE A 13 1.321 -8.633 -9.530 1.00 0.00 C ATOM 198 O PHE A 13 2.005 -9.183 -8.664 1.00 0.00 O ATOM 199 CB PHE A 13 -0.494 -9.967 -10.690 1.00 0.00 C ATOM 200 CG PHE A 13 -0.651 -11.111 -9.713 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.960 -10.873 -8.382 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.511 -12.423 -10.136 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.125 -11.923 -7.498 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.669 -13.474 -9.255 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.978 -13.223 -7.935 1.00 0.00 C ATOM 0 H PHE A 13 2.199 -10.966 -10.299 1.00 0.00 H new ATOM 0 HA PHE A 13 0.932 -8.668 -11.626 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.176 -9.167 -10.400 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.806 -10.309 -11.677 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.073 -9.857 -8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.275 -12.626 -11.170 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.369 -11.725 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.551 -14.491 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.105 -14.043 -7.244 1.00 0.00 H new ATOM 215 N PRO A 14 0.930 -7.358 -9.424 1.00 0.00 N ATOM 216 CA PRO A 14 1.224 -6.545 -8.256 1.00 0.00 C ATOM 217 C PRO A 14 0.224 -6.768 -7.124 1.00 0.00 C ATOM 218 O PRO A 14 -0.968 -7.001 -7.363 1.00 0.00 O ATOM 219 CB PRO A 14 1.111 -5.124 -8.794 1.00 0.00 C ATOM 220 CG PRO A 14 0.078 -5.210 -9.864 1.00 0.00 C ATOM 221 CD PRO A 14 0.184 -6.596 -10.450 1.00 0.00 C ATOM 0 HA PRO A 14 2.196 -6.782 -7.823 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.814 -4.426 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.064 -4.773 -9.190 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.918 -5.036 -9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.247 -4.451 -10.628 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.799 -7.029 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.711 -6.588 -11.404 1.00 0.00 H new ATOM 229 N VAL A 15 0.714 -6.711 -5.903 1.00 0.00 N ATOM 230 CA VAL A 15 -0.118 -6.858 -4.729 1.00 0.00 C ATOM 231 C VAL A 15 0.195 -5.753 -3.729 1.00 0.00 C ATOM 232 O VAL A 15 1.334 -5.622 -3.259 1.00 0.00 O ATOM 233 CB VAL A 15 0.052 -8.253 -4.053 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.659 -8.292 -2.705 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.496 -9.346 -4.956 1.00 0.00 C ATOM 0 H VAL A 15 1.702 -6.561 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.156 -6.780 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 15 1.116 -8.423 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.527 -9.275 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.237 -7.530 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.722 -8.099 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.371 -10.315 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.555 -9.167 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.045 -9.341 -5.903 1.00 0.00 H new ATOM 245 N GLU A 16 -0.802 -4.946 -3.432 1.00 0.00 N ATOM 246 CA GLU A 16 -0.646 -3.864 -2.489 1.00 0.00 C ATOM 247 C GLU A 16 -0.807 -4.384 -1.073 1.00 0.00 C ATOM 248 O GLU A 16 -1.797 -5.049 -0.754 1.00 0.00 O ATOM 249 CB GLU A 16 -1.653 -2.751 -2.773 1.00 0.00 C ATOM 250 CG GLU A 16 -1.492 -1.540 -1.875 1.00 0.00 C ATOM 251 CD GLU A 16 -2.367 -0.386 -2.291 1.00 0.00 C ATOM 252 OE1 GLU A 16 -3.602 -0.503 -2.185 1.00 0.00 O ATOM 253 OE2 GLU A 16 -1.824 0.649 -2.727 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.736 -5.022 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 16 0.355 -3.447 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.552 -2.438 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.662 -3.147 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.730 -1.820 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.450 -1.222 -1.885 1.00 0.00 H new ATOM 260 N VAL A 17 0.166 -4.093 -0.236 1.00 0.00 N ATOM 261 CA VAL A 17 0.157 -4.565 1.134 1.00 0.00 C ATOM 262 C VAL A 17 0.107 -3.397 2.113 1.00 0.00 C ATOM 263 O VAL A 17 0.335 -2.243 1.732 1.00 0.00 O ATOM 264 CB VAL A 17 1.398 -5.437 1.431 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.446 -6.633 0.488 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.675 -4.614 1.319 1.00 0.00 C ATOM 0 H VAL A 17 0.979 -3.528 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.738 -5.173 1.262 1.00 0.00 H new ATOM 0 HB VAL A 17 1.321 -5.806 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.326 -7.237 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.548 -7.237 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.498 -6.282 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.536 -5.248 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.761 -4.212 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.643 -3.793 2.035 1.00 0.00 H new ATOM 276 N ASP A 18 -0.179 -3.701 3.367 1.00 0.00 N ATOM 277 CA ASP A 18 -0.270 -2.688 4.409 1.00 0.00 C ATOM 278 C ASP A 18 0.973 -2.703 5.277 1.00 0.00 C ATOM 279 O ASP A 18 1.898 -3.485 5.046 1.00 0.00 O ATOM 280 CB ASP A 18 -1.507 -2.915 5.285 1.00 0.00 C ATOM 281 CG ASP A 18 -2.804 -2.673 4.549 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.272 -1.520 4.531 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.374 -3.641 3.999 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.354 -4.652 3.693 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.356 -1.717 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.495 -3.937 5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.458 -2.255 6.151 1.00 0.00 H new ATOM 288 N SER A 19 0.984 -1.855 6.289 1.00 0.00 N ATOM 289 CA SER A 19 2.118 -1.755 7.188 1.00 0.00 C ATOM 290 C SER A 19 2.142 -2.909 8.185 1.00 0.00 C ATOM 291 O SER A 19 3.144 -3.140 8.862 1.00 0.00 O ATOM 292 CB SER A 19 2.084 -0.420 7.925 1.00 0.00 C ATOM 293 OG SER A 19 2.032 0.658 7.005 1.00 0.00 O ATOM 0 H SER A 19 0.215 -1.222 6.509 1.00 0.00 H new ATOM 0 HA SER A 19 3.028 -1.812 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.217 -0.385 8.584 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.968 -0.324 8.556 1.00 0.00 H new ATOM 0 HG SER A 19 2.676 0.503 6.283 1.00 0.00 H new ATOM 299 N ASP A 20 1.044 -3.636 8.268 1.00 0.00 N ATOM 300 CA ASP A 20 0.945 -4.747 9.200 1.00 0.00 C ATOM 301 C ASP A 20 0.695 -6.051 8.484 1.00 0.00 C ATOM 302 O ASP A 20 0.251 -7.023 9.092 1.00 0.00 O ATOM 303 CB ASP A 20 -0.163 -4.502 10.223 1.00 0.00 C ATOM 304 CG ASP A 20 0.241 -3.524 11.292 1.00 0.00 C ATOM 305 OD1 ASP A 20 0.615 -3.975 12.397 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.195 -2.300 11.038 1.00 0.00 O1- ATOM 0 H ASP A 20 0.209 -3.479 7.704 1.00 0.00 H new ATOM 0 HA ASP A 20 1.901 -4.817 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.049 -4.128 9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.439 -5.449 10.688 1.00 0.00 H new ATOM 311 N THR A 21 0.984 -6.088 7.205 1.00 0.00 N ATOM 312 CA THR A 21 0.796 -7.291 6.450 1.00 0.00 C ATOM 313 C THR A 21 1.976 -8.221 6.659 1.00 0.00 C ATOM 314 O THR A 21 3.046 -8.008 6.102 1.00 0.00 O ATOM 315 CB THR A 21 0.634 -6.988 4.947 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.427 -6.047 4.763 1.00 0.00 O ATOM 317 CG2 THR A 21 0.326 -8.256 4.162 1.00 0.00 C ATOM 0 H THR A 21 1.349 -5.299 6.672 1.00 0.00 H new ATOM 0 HA THR A 21 -0.117 -7.771 6.802 1.00 0.00 H new ATOM 0 HB THR A 21 1.572 -6.573 4.577 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.042 -6.378 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.217 -8.012 3.105 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.141 -8.969 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.601 -8.696 4.530 1.00 0.00 H new ATOM 325 N SER A 22 1.804 -9.209 7.508 1.00 0.00 N ATOM 326 CA SER A 22 2.842 -10.182 7.722 1.00 0.00 C ATOM 327 C SER A 22 2.996 -11.022 6.466 1.00 0.00 C ATOM 328 O SER A 22 2.034 -11.203 5.717 1.00 0.00 O ATOM 329 CB SER A 22 2.502 -11.064 8.922 1.00 0.00 C ATOM 330 OG SER A 22 2.281 -10.274 10.079 1.00 0.00 O ATOM 0 H SER A 22 0.958 -9.357 8.058 1.00 0.00 H new ATOM 0 HA SER A 22 3.783 -9.675 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.613 -11.656 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.315 -11.766 9.105 1.00 0.00 H new ATOM 0 HG SER A 22 2.933 -10.515 10.769 1.00 0.00 H new ATOM 336 N ILE A 23 4.194 -11.518 6.224 1.00 0.00 N ATOM 337 CA ILE A 23 4.455 -12.337 5.044 1.00 0.00 C ATOM 338 C ILE A 23 3.523 -13.559 5.019 1.00 0.00 C ATOM 339 O ILE A 23 3.073 -13.994 3.959 1.00 0.00 O ATOM 340 CB ILE A 23 5.932 -12.790 4.992 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.868 -11.578 4.875 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.164 -13.763 3.843 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.672 -10.768 3.612 1.00 0.00 C ATOM 0 H ILE A 23 5.005 -11.371 6.825 1.00 0.00 H new ATOM 0 HA ILE A 23 4.257 -11.725 4.164 1.00 0.00 H new ATOM 0 HB ILE A 23 6.159 -13.309 5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.715 -10.929 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.901 -11.924 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.211 -14.066 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.533 -14.642 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.914 -13.278 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.370 -9.931 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.854 -11.400 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.650 -10.389 3.577 1.00 0.00 H new ATOM 355 N PHE A 24 3.219 -14.079 6.201 1.00 0.00 N ATOM 356 CA PHE A 24 2.306 -15.199 6.351 1.00 0.00 C ATOM 357 C PHE A 24 0.927 -14.814 5.825 1.00 0.00 C ATOM 358 O PHE A 24 0.280 -15.590 5.118 1.00 0.00 O ATOM 359 CB PHE A 24 2.213 -15.602 7.827 1.00 0.00 C ATOM 360 CG PHE A 24 1.456 -16.875 8.064 1.00 0.00 C ATOM 361 CD1 PHE A 24 2.055 -18.101 7.839 1.00 0.00 C ATOM 362 CD2 PHE A 24 0.147 -16.846 8.518 1.00 0.00 C ATOM 363 CE1 PHE A 24 1.369 -19.274 8.061 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.547 -18.018 8.741 1.00 0.00 C ATOM 365 CZ PHE A 24 0.065 -19.234 8.512 1.00 0.00 C ATOM 0 H PHE A 24 3.600 -13.734 7.082 1.00 0.00 H new ATOM 0 HA PHE A 24 2.681 -16.047 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.221 -15.710 8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.733 -14.797 8.384 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.074 -18.139 7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.335 -15.897 8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.851 -20.224 7.883 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.567 -17.984 9.094 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.476 -20.153 8.685 1.00 0.00 H new ATOM 375 N GLN A 25 0.501 -13.601 6.165 1.00 0.00 N ATOM 376 CA GLN A 25 -0.779 -13.080 5.713 1.00 0.00 C ATOM 377 C GLN A 25 -0.737 -12.834 4.219 1.00 0.00 C ATOM 378 O GLN A 25 -1.663 -13.179 3.512 1.00 0.00 O ATOM 379 CB GLN A 25 -1.127 -11.783 6.439 1.00 0.00 C ATOM 380 CG GLN A 25 -1.242 -11.921 7.944 1.00 0.00 C ATOM 381 CD GLN A 25 -1.568 -10.605 8.612 1.00 0.00 C ATOM 382 OE1 GLN A 25 -0.675 -9.838 8.968 1.00 0.00 O ATOM 383 NE2 GLN A 25 -2.846 -10.330 8.785 1.00 0.00 N ATOM 0 H GLN A 25 1.030 -12.959 6.756 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.548 -13.819 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.365 -11.038 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.071 -11.404 6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.016 -12.650 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.305 -12.308 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.557 -10.993 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.124 -9.454 9.228 1.00 0.00 H new ATOM 392 N LEU A 26 0.361 -12.238 3.750 1.00 0.00 N ATOM 393 CA LEU A 26 0.555 -11.974 2.321 1.00 0.00 C ATOM 394 C LEU A 26 0.435 -13.268 1.529 1.00 0.00 C ATOM 395 O LEU A 26 -0.198 -13.313 0.472 1.00 0.00 O ATOM 396 CB LEU A 26 1.928 -11.328 2.079 1.00 0.00 C ATOM 397 CG LEU A 26 2.310 -11.089 0.613 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.297 -10.183 -0.069 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.707 -10.497 0.518 1.00 0.00 C ATOM 0 H LEU A 26 1.133 -11.928 4.341 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.218 -11.283 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.954 -10.372 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.690 -11.961 2.534 1.00 0.00 H new ATOM 0 HG LEU A 26 2.306 -12.050 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.589 -10.028 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.312 -10.648 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.263 -9.223 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.963 -10.334 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.737 -9.547 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.425 -11.186 0.963 1.00 0.00 H new ATOM 411 N LYS A 27 1.037 -14.317 2.062 1.00 0.00 N ATOM 412 CA LYS A 27 0.969 -15.640 1.473 1.00 0.00 C ATOM 413 C LYS A 27 -0.483 -16.083 1.355 1.00 0.00 C ATOM 414 O LYS A 27 -0.909 -16.606 0.325 1.00 0.00 O ATOM 415 CB LYS A 27 1.737 -16.621 2.354 1.00 0.00 C ATOM 416 CG LYS A 27 1.779 -18.045 1.827 1.00 0.00 C ATOM 417 CD LYS A 27 2.647 -18.939 2.706 1.00 0.00 C ATOM 418 CE LYS A 27 2.122 -19.012 4.137 1.00 0.00 C ATOM 419 NZ LYS A 27 0.746 -19.570 4.197 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.589 -14.273 2.919 1.00 0.00 H new ATOM 0 HA LYS A 27 1.412 -15.617 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.759 -16.261 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.286 -16.628 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.767 -18.448 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.167 -18.046 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.683 -19.942 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.669 -18.559 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.790 -19.629 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.128 -18.015 4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.566 -19.948 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.058 -18.820 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.650 -20.334 3.498 1.00 0.00 H new ATOM 433 N GLU A 28 -1.240 -15.851 2.415 1.00 0.00 N ATOM 434 CA GLU A 28 -2.635 -16.216 2.454 1.00 0.00 C ATOM 435 C GLU A 28 -3.472 -15.314 1.551 1.00 0.00 C ATOM 436 O GLU A 28 -4.464 -15.749 0.992 1.00 0.00 O ATOM 437 CB GLU A 28 -3.153 -16.172 3.881 1.00 0.00 C ATOM 438 CG GLU A 28 -2.500 -17.187 4.800 1.00 0.00 C ATOM 439 CD GLU A 28 -3.316 -17.459 6.039 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.087 -16.575 6.456 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.195 -18.564 6.597 1.00 0.00 O1- ATOM 0 H GLU A 28 -0.900 -15.405 3.267 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.726 -17.236 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.992 -15.173 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.229 -16.343 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.350 -18.120 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.514 -16.826 5.091 1.00 0.00 H new ATOM 448 N VAL A 29 -3.067 -14.058 1.421 1.00 0.00 N ATOM 449 CA VAL A 29 -3.754 -13.118 0.542 1.00 0.00 C ATOM 450 C VAL A 29 -3.669 -13.593 -0.901 1.00 0.00 C ATOM 451 O VAL A 29 -4.675 -13.638 -1.610 1.00 0.00 O ATOM 452 CB VAL A 29 -3.166 -11.683 0.655 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.753 -10.767 -0.410 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.430 -11.111 2.038 1.00 0.00 C ATOM 0 H VAL A 29 -2.265 -13.665 1.913 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.797 -13.079 0.857 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.089 -11.746 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.325 -9.770 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.520 -11.163 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.835 -10.712 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.013 -10.106 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.505 -11.069 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.962 -11.747 2.790 1.00 0.00 H new ATOM 464 N VAL A 30 -2.468 -13.967 -1.324 1.00 0.00 N ATOM 465 CA VAL A 30 -2.259 -14.472 -2.671 1.00 0.00 C ATOM 466 C VAL A 30 -2.998 -15.796 -2.857 1.00 0.00 C ATOM 467 O VAL A 30 -3.626 -16.029 -3.890 1.00 0.00 O ATOM 468 CB VAL A 30 -0.754 -14.658 -2.983 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.554 -15.200 -4.394 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.009 -13.342 -2.809 1.00 0.00 C ATOM 0 H VAL A 30 -1.625 -13.929 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.657 -13.734 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.348 -15.385 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.511 -15.322 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.053 -16.165 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.977 -14.501 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.048 -13.490 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.423 -12.597 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.118 -12.995 -1.781 1.00 0.00 H new ATOM 480 N ALA A 31 -2.937 -16.648 -1.838 1.00 0.00 N ATOM 481 CA ALA A 31 -3.624 -17.936 -1.868 1.00 0.00 C ATOM 482 C ALA A 31 -5.126 -17.741 -1.968 1.00 0.00 C ATOM 483 O ALA A 31 -5.806 -18.433 -2.713 1.00 0.00 O ATOM 484 CB ALA A 31 -3.290 -18.734 -0.627 1.00 0.00 C ATOM 0 H ALA A 31 -2.417 -16.469 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.286 -18.484 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.808 -19.692 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.214 -18.904 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.607 -18.181 0.257 1.00 0.00 H new ATOM 490 N LYS A 32 -5.624 -16.788 -1.206 1.00 0.00 N ATOM 491 CA LYS A 32 -7.031 -16.442 -1.188 1.00 0.00 C ATOM 492 C LYS A 32 -7.453 -15.901 -2.545 1.00 0.00 C ATOM 493 O LYS A 32 -8.520 -16.233 -3.061 1.00 0.00 O ATOM 494 CB LYS A 32 -7.254 -15.375 -0.125 1.00 0.00 C ATOM 495 CG LYS A 32 -8.695 -14.989 0.105 1.00 0.00 C ATOM 496 CD LYS A 32 -8.806 -13.839 1.100 1.00 0.00 C ATOM 497 CE LYS A 32 -8.671 -14.297 2.566 1.00 0.00 C ATOM 498 NZ LYS A 32 -7.299 -14.772 2.922 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.055 -16.225 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.624 -17.329 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.835 -15.730 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.696 -14.482 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.152 -14.700 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.250 -15.850 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.033 -13.102 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.767 -13.342 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.941 -13.470 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.384 -15.100 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.091 -14.523 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.248 -15.804 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.602 -14.320 2.297 1.00 0.00 H new ATOM 512 N ARG A 33 -6.589 -15.077 -3.114 1.00 0.00 N ATOM 513 CA ARG A 33 -6.835 -14.441 -4.396 1.00 0.00 C ATOM 514 C ARG A 33 -6.859 -15.474 -5.523 1.00 0.00 C ATOM 515 O ARG A 33 -7.564 -15.311 -6.517 1.00 0.00 O ATOM 516 CB ARG A 33 -5.738 -13.407 -4.663 1.00 0.00 C ATOM 517 CG ARG A 33 -6.061 -12.420 -5.769 1.00 0.00 C ATOM 518 CD ARG A 33 -5.019 -11.312 -5.834 1.00 0.00 C ATOM 519 NE ARG A 33 -5.357 -10.299 -6.834 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.080 -8.992 -6.717 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.491 -8.523 -5.617 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.411 -8.155 -7.693 1.00 0.00 N ATOM 0 H ARG A 33 -5.692 -14.829 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.808 -13.951 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.546 -12.854 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.817 -13.931 -4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.103 -12.941 -6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.047 -11.987 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.930 -10.840 -4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.046 -11.743 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.837 -10.608 -7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.248 -9.159 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.283 -7.528 -5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.875 -8.506 -8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.201 -7.161 -7.605 1.00 0.00 H new ATOM 536 N GLN A 34 -6.083 -16.530 -5.357 1.00 0.00 N ATOM 537 CA GLN A 34 -5.978 -17.578 -6.362 1.00 0.00 C ATOM 538 C GLN A 34 -6.896 -18.756 -6.049 1.00 0.00 C ATOM 539 O GLN A 34 -7.083 -19.646 -6.881 1.00 0.00 O ATOM 540 CB GLN A 34 -4.531 -18.047 -6.463 1.00 0.00 C ATOM 541 CG GLN A 34 -3.585 -16.980 -6.990 1.00 0.00 C ATOM 542 CD GLN A 34 -3.788 -16.708 -8.466 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.184 -17.357 -9.315 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.635 -15.750 -8.780 1.00 0.00 N ATOM 0 H GLN A 34 -5.510 -16.687 -4.528 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.296 -17.163 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.192 -18.368 -5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.484 -18.918 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.734 -16.057 -6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.555 -17.294 -6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.117 -15.234 -8.044 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.809 -15.524 -9.759 1.00 0.00 H new ATOM 553 N GLY A 35 -7.462 -18.759 -4.851 1.00 0.00 N ATOM 554 CA GLY A 35 -8.353 -19.828 -4.446 1.00 0.00 C ATOM 555 C GLY A 35 -7.622 -21.142 -4.259 1.00 0.00 C ATOM 556 O GLY A 35 -8.051 -22.179 -4.771 1.00 0.00 O ATOM 0 H GLY A 35 -7.319 -18.035 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.847 -19.553 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.134 -19.952 -5.196 1.00 0.00 H new ATOM 560 N VAL A 36 -6.514 -21.096 -3.538 1.00 0.00 N ATOM 561 CA VAL A 36 -5.704 -22.282 -3.287 1.00 0.00 C ATOM 562 C VAL A 36 -5.391 -22.407 -1.795 1.00 0.00 C ATOM 563 O VAL A 36 -5.416 -21.410 -1.074 1.00 0.00 O ATOM 564 CB VAL A 36 -4.374 -22.245 -4.089 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.644 -22.222 -5.588 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.527 -21.047 -3.678 1.00 0.00 C ATOM 0 H VAL A 36 -6.151 -20.243 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.282 -23.146 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.817 -23.153 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.697 -22.196 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.199 -23.116 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.229 -21.337 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.601 -21.042 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.079 -20.127 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.294 -21.113 -2.615 1.00 0.00 H new ATOM 576 N PRO A 37 -5.108 -23.638 -1.311 1.00 0.00 N ATOM 577 CA PRO A 37 -4.765 -23.875 0.097 1.00 0.00 C ATOM 578 C PRO A 37 -3.518 -23.096 0.519 1.00 0.00 C ATOM 579 O PRO A 37 -2.403 -23.388 0.073 1.00 0.00 O ATOM 580 CB PRO A 37 -4.504 -25.391 0.166 1.00 0.00 C ATOM 581 CG PRO A 37 -4.291 -25.815 -1.249 1.00 0.00 C ATOM 582 CD PRO A 37 -5.118 -24.886 -2.090 1.00 0.00 C ATOM 0 HA PRO A 37 -5.557 -23.544 0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.631 -25.613 0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.349 -25.916 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.237 -25.753 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.597 -26.851 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.686 -24.747 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.130 -25.264 -2.233 1.00 0.00 H new ATOM 590 N ALA A 38 -3.716 -22.117 1.385 1.00 0.00 N ATOM 591 CA ALA A 38 -2.644 -21.245 1.837 1.00 0.00 C ATOM 592 C ALA A 38 -1.654 -21.978 2.724 1.00 0.00 C ATOM 593 O ALA A 38 -0.467 -21.634 2.760 1.00 0.00 O ATOM 594 CB ALA A 38 -3.217 -20.051 2.570 1.00 0.00 C ATOM 0 H ALA A 38 -4.625 -21.904 1.795 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.104 -20.903 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.405 -19.405 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.872 -19.494 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.787 -20.393 3.434 1.00 0.00 H new ATOM 600 N ASP A 39 -2.133 -22.986 3.433 1.00 0.00 N ATOM 601 CA ASP A 39 -1.286 -23.763 4.332 1.00 0.00 C ATOM 602 C ASP A 39 -0.265 -24.575 3.545 1.00 0.00 C ATOM 603 O ASP A 39 0.856 -24.800 4.004 1.00 0.00 O ATOM 604 CB ASP A 39 -2.138 -24.683 5.208 1.00 0.00 C ATOM 605 CG ASP A 39 -1.315 -25.447 6.226 1.00 0.00 C ATOM 606 OD1 ASP A 39 -0.775 -24.814 7.157 1.00 0.00 O ATOM 607 OD2 ASP A 39 -1.226 -26.687 6.114 1.00 0.00 O1- ATOM 0 H ASP A 39 -3.107 -23.289 3.406 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.747 -23.069 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.891 -24.089 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.672 -25.390 4.573 1.00 0.00 H new ATOM 612 N GLN A 40 -0.644 -24.979 2.342 1.00 0.00 N ATOM 613 CA GLN A 40 0.234 -25.767 1.481 1.00 0.00 C ATOM 614 C GLN A 40 0.972 -24.871 0.490 1.00 0.00 C ATOM 615 O GLN A 40 1.635 -25.353 -0.430 1.00 0.00 O ATOM 616 CB GLN A 40 -0.572 -26.820 0.724 1.00 0.00 C ATOM 617 CG GLN A 40 -1.235 -27.853 1.617 1.00 0.00 C ATOM 618 CD GLN A 40 -1.996 -28.891 0.827 1.00 0.00 C ATOM 619 OE1 GLN A 40 -3.187 -28.735 0.554 1.00 0.00 O ATOM 620 NE2 GLN A 40 -1.322 -29.953 0.449 1.00 0.00 N ATOM 0 H GLN A 40 -1.557 -24.775 1.936 1.00 0.00 H new ATOM 0 HA GLN A 40 0.969 -26.265 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.340 -26.319 0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.087 -27.331 0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.476 -28.346 2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.916 -27.352 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.336 -30.046 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.784 -30.685 -0.090 1.00 0.00 H new ATOM 629 N LEU A 41 0.851 -23.576 0.684 1.00 0.00 N ATOM 630 CA LEU A 41 1.490 -22.616 -0.189 1.00 0.00 C ATOM 631 C LEU A 41 2.821 -22.167 0.411 1.00 0.00 C ATOM 632 O LEU A 41 2.932 -21.998 1.627 1.00 0.00 O ATOM 633 CB LEU A 41 0.570 -21.414 -0.401 1.00 0.00 C ATOM 634 CG LEU A 41 0.963 -20.471 -1.525 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.925 -21.197 -2.854 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.043 -19.268 -1.554 1.00 0.00 C ATOM 0 H LEU A 41 0.312 -23.161 1.444 1.00 0.00 H new ATOM 0 HA LEU A 41 1.684 -23.085 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.438 -21.781 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.528 -20.845 0.527 1.00 0.00 H new ATOM 0 HG LEU A 41 1.980 -20.122 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.209 -20.511 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.622 -22.035 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.083 -21.569 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.339 -18.603 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.984 -19.599 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.110 -18.735 -0.605 1.00 0.00 H new ATOM 648 N ARG A 42 3.820 -21.979 -0.431 1.00 0.00 N ATOM 649 CA ARG A 42 5.140 -21.574 0.034 1.00 0.00 C ATOM 650 C ARG A 42 5.622 -20.344 -0.721 1.00 0.00 C ATOM 651 O ARG A 42 5.286 -20.153 -1.890 1.00 0.00 O ATOM 652 CB ARG A 42 6.135 -22.705 -0.173 1.00 0.00 C ATOM 653 CG ARG A 42 7.467 -22.485 0.519 1.00 0.00 C ATOM 654 CD ARG A 42 8.597 -23.047 -0.306 1.00 0.00 C ATOM 655 NE ARG A 42 9.831 -23.196 0.471 1.00 0.00 N ATOM 656 CZ ARG A 42 10.564 -24.318 0.504 1.00 0.00 C ATOM 657 NH1 ARG A 42 10.145 -25.410 -0.128 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 11.693 -24.356 1.199 1.00 0.00 N ATOM 0 H ARG A 42 3.746 -22.099 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 42 5.067 -21.336 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.696 -23.634 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.308 -22.833 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.625 -21.419 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.455 -22.960 1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.304 -24.017 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.783 -22.392 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 42 10.151 -22.398 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.263 -25.396 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.705 -26.262 -0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.005 -23.530 1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.249 -25.211 1.223 1.00 0.00 H new ATOM 672 N VAL A 43 6.415 -19.518 -0.059 1.00 0.00 N ATOM 673 CA VAL A 43 6.948 -18.323 -0.682 1.00 0.00 C ATOM 674 C VAL A 43 8.450 -18.450 -0.931 1.00 0.00 C ATOM 675 O VAL A 43 9.177 -19.035 -0.125 1.00 0.00 O ATOM 676 CB VAL A 43 6.662 -17.048 0.158 1.00 0.00 C ATOM 677 CG1 VAL A 43 5.165 -16.815 0.289 1.00 0.00 C ATOM 678 CG2 VAL A 43 7.307 -17.145 1.538 1.00 0.00 C ATOM 0 H VAL A 43 6.703 -19.655 0.910 1.00 0.00 H new ATOM 0 HA VAL A 43 6.437 -18.220 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 43 7.101 -16.198 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.987 -15.917 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.728 -16.689 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.705 -17.672 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.091 -16.239 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.905 -18.009 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.386 -17.256 1.428 1.00 0.00 H new ATOM 688 N ILE A 44 8.896 -17.921 -2.060 1.00 0.00 N ATOM 689 CA ILE A 44 10.301 -17.941 -2.435 1.00 0.00 C ATOM 690 C ILE A 44 10.755 -16.544 -2.864 1.00 0.00 C ATOM 691 O ILE A 44 10.224 -15.964 -3.812 1.00 0.00 O ATOM 692 CB ILE A 44 10.573 -18.946 -3.595 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.272 -20.390 -3.160 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.014 -18.826 -4.094 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.160 -20.895 -2.036 1.00 0.00 C ATOM 0 H ILE A 44 8.292 -17.465 -2.744 1.00 0.00 H new ATOM 0 HA ILE A 44 10.866 -18.263 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 44 9.903 -18.693 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.231 -20.453 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.384 -21.049 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.179 -19.537 -4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.190 -17.814 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.701 -19.041 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.885 -21.920 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.202 -20.866 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.031 -20.262 -1.158 1.00 0.00 H new ATOM 707 N PHE A 45 11.720 -16.012 -2.153 1.00 0.00 N ATOM 708 CA PHE A 45 12.273 -14.712 -2.454 1.00 0.00 C ATOM 709 C PHE A 45 13.784 -14.767 -2.309 1.00 0.00 C ATOM 710 O PHE A 45 14.293 -15.176 -1.268 1.00 0.00 O ATOM 711 CB PHE A 45 11.680 -13.652 -1.516 1.00 0.00 C ATOM 712 CG PHE A 45 12.194 -12.257 -1.756 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.743 -11.512 -2.833 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.124 -11.689 -0.898 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.209 -10.231 -3.051 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.594 -10.408 -1.112 1.00 0.00 C ATOM 717 CZ PHE A 45 13.136 -9.678 -2.191 1.00 0.00 C ATOM 0 H PHE A 45 12.146 -16.469 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 45 12.021 -14.437 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.596 -13.651 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.895 -13.934 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.018 -11.938 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.485 -12.255 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.848 -9.661 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.319 -9.978 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.502 -8.676 -2.362 1.00 0.00 H new ATOM 727 N ALA A 46 14.493 -14.396 -3.374 1.00 0.00 N ATOM 728 CA ALA A 46 15.963 -14.401 -3.391 1.00 0.00 C ATOM 729 C ALA A 46 16.519 -15.825 -3.277 1.00 0.00 C ATOM 730 O ALA A 46 17.679 -16.026 -2.926 1.00 0.00 O ATOM 731 CB ALA A 46 16.525 -13.505 -2.288 1.00 0.00 C ATOM 0 H ALA A 46 14.071 -14.084 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 46 16.283 -13.998 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.614 -13.526 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.177 -12.483 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.185 -13.866 -1.317 1.00 0.00 H new ATOM 737 N GLY A 47 15.685 -16.807 -3.600 1.00 0.00 N ATOM 738 CA GLY A 47 16.109 -18.197 -3.540 1.00 0.00 C ATOM 739 C GLY A 47 15.868 -18.830 -2.181 1.00 0.00 C ATOM 740 O GLY A 47 16.335 -19.935 -1.912 1.00 0.00 O ATOM 0 H GLY A 47 14.721 -16.667 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.576 -18.767 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.170 -18.259 -3.781 1.00 0.00 H new ATOM 744 N LYS A 48 15.145 -18.139 -1.325 1.00 0.00 N ATOM 745 CA LYS A 48 14.849 -18.648 0.002 1.00 0.00 C ATOM 746 C LYS A 48 13.451 -18.254 0.433 1.00 0.00 C ATOM 747 O LYS A 48 12.834 -17.385 -0.172 1.00 0.00 O ATOM 748 CB LYS A 48 15.905 -18.155 1.018 1.00 0.00 C ATOM 749 CG LYS A 48 16.162 -16.642 1.003 1.00 0.00 C ATOM 750 CD LYS A 48 15.132 -15.866 1.813 1.00 0.00 C ATOM 751 CE LYS A 48 15.355 -14.362 1.703 1.00 0.00 C ATOM 752 NZ LYS A 48 16.704 -13.957 2.177 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.749 -17.220 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 48 14.891 -19.737 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.587 -18.444 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.845 -18.670 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.157 -16.442 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.153 -16.286 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.130 -16.113 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.187 -16.168 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.229 -14.053 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.596 -13.841 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.752 -12.920 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.882 -14.373 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.423 -14.294 1.506 1.00 0.00 H new ATOM 766 N GLU A 49 12.950 -18.896 1.457 1.00 0.00 N ATOM 767 CA GLU A 49 11.647 -18.567 1.984 1.00 0.00 C ATOM 768 C GLU A 49 11.792 -17.502 3.053 1.00 0.00 C ATOM 769 O GLU A 49 12.848 -17.383 3.683 1.00 0.00 O ATOM 770 CB GLU A 49 10.913 -19.810 2.530 1.00 0.00 C ATOM 771 CG GLU A 49 11.649 -20.562 3.633 1.00 0.00 C ATOM 772 CD GLU A 49 12.862 -21.309 3.131 1.00 0.00 C ATOM 773 OE1 GLU A 49 12.718 -22.477 2.728 1.00 0.00 O ATOM 774 OE2 GLU A 49 13.961 -20.731 3.133 1.00 0.00 O1- ATOM 0 H GLU A 49 13.426 -19.654 1.946 1.00 0.00 H new ATOM 0 HA GLU A 49 11.034 -18.179 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.939 -19.500 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.729 -20.497 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.958 -19.855 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.964 -21.267 4.104 1.00 0.00 H new ATOM 781 N LEU A 50 10.755 -16.735 3.255 1.00 0.00 N ATOM 782 CA LEU A 50 10.802 -15.636 4.196 1.00 0.00 C ATOM 783 C LEU A 50 10.472 -16.091 5.618 1.00 0.00 C ATOM 784 O LEU A 50 10.265 -17.282 5.871 1.00 0.00 O ATOM 785 CB LEU A 50 9.867 -14.523 3.734 1.00 0.00 C ATOM 786 CG LEU A 50 10.189 -13.930 2.352 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.250 -12.787 2.020 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.641 -13.470 2.281 1.00 0.00 C ATOM 0 H LEU A 50 9.859 -16.848 2.780 1.00 0.00 H new ATOM 0 HA LEU A 50 11.821 -15.249 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.848 -14.910 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.891 -13.720 4.471 1.00 0.00 H new ATOM 0 HG LEU A 50 10.044 -14.715 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.499 -12.385 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.222 -13.150 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.353 -12.002 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.843 -13.055 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.818 -12.707 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.301 -14.319 2.460 1.00 0.00 H new ATOM 800 N ARG A 51 10.438 -15.140 6.538 1.00 0.00 N ATOM 801 CA ARG A 51 10.184 -15.431 7.950 1.00 0.00 C ATOM 802 C ARG A 51 8.691 -15.586 8.246 1.00 0.00 C ATOM 803 O ARG A 51 8.317 -16.065 9.311 1.00 0.00 O ATOM 804 CB ARG A 51 10.814 -14.351 8.833 1.00 0.00 C ATOM 805 CG ARG A 51 10.346 -12.943 8.519 1.00 0.00 C ATOM 806 CD ARG A 51 11.447 -11.926 8.779 1.00 0.00 C ATOM 807 NE ARG A 51 11.903 -11.935 10.172 1.00 0.00 N ATOM 808 CZ ARG A 51 13.012 -11.323 10.601 1.00 0.00 C ATOM 809 NH1 ARG A 51 13.778 -10.646 9.749 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 13.352 -11.388 11.884 1.00 0.00 N ATOM 0 H ARG A 51 10.584 -14.151 6.335 1.00 0.00 H new ATOM 0 HA ARG A 51 10.650 -16.389 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.589 -14.573 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.898 -14.395 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.033 -12.885 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.474 -12.703 9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.292 -12.134 8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.084 -10.930 8.525 1.00 0.00 H new ATOM 0 HE ARG A 51 11.340 -12.439 10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.520 -10.592 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.623 -10.181 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.767 -11.905 12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.198 -10.921 12.212 1.00 0.00 H new ATOM 824 N ASN A 52 7.850 -15.157 7.295 1.00 0.00 N ATOM 825 CA ASN A 52 6.376 -15.312 7.379 1.00 0.00 C ATOM 826 C ASN A 52 5.705 -14.469 8.482 1.00 0.00 C ATOM 827 O ASN A 52 4.879 -13.612 8.196 1.00 0.00 O ATOM 828 CB ASN A 52 5.986 -16.793 7.532 1.00 0.00 C ATOM 829 CG ASN A 52 6.072 -17.554 6.221 1.00 0.00 C ATOM 830 OD1 ASN A 52 5.836 -16.996 5.149 1.00 0.00 O ATOM 831 ND2 ASN A 52 6.408 -18.828 6.296 1.00 0.00 N ATOM 0 H ASN A 52 8.164 -14.692 6.443 1.00 0.00 H new ATOM 0 HA ASN A 52 5.997 -14.924 6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.640 -17.264 8.266 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.970 -16.860 7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.480 -19.387 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.596 -19.253 7.204 1.00 0.00 H new ATOM 838 N ASP A 53 6.083 -14.700 9.717 1.00 0.00 N ATOM 839 CA ASP A 53 5.417 -14.085 10.875 1.00 0.00 C ATOM 840 C ASP A 53 5.612 -12.576 10.933 1.00 0.00 C ATOM 841 O ASP A 53 4.712 -11.838 11.332 1.00 0.00 O ATOM 842 CB ASP A 53 5.936 -14.718 12.167 1.00 0.00 C ATOM 843 CG ASP A 53 5.408 -14.034 13.412 1.00 0.00 C ATOM 844 OD1 ASP A 53 4.318 -14.407 13.881 1.00 0.00 O ATOM 845 OD2 ASP A 53 6.092 -13.131 13.932 1.00 0.00 O1- ATOM 0 H ASP A 53 6.858 -15.316 9.963 1.00 0.00 H new ATOM 0 HA ASP A 53 4.348 -14.270 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.653 -15.770 12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.025 -14.680 12.172 1.00 0.00 H new ATOM 850 N TRP A 54 6.764 -12.132 10.518 1.00 0.00 N ATOM 851 CA TRP A 54 7.129 -10.743 10.624 1.00 0.00 C ATOM 852 C TRP A 54 6.452 -9.887 9.526 1.00 0.00 C ATOM 853 O TRP A 54 5.946 -10.425 8.529 1.00 0.00 O ATOM 854 CB TRP A 54 8.639 -10.651 10.566 1.00 0.00 C ATOM 855 CG TRP A 54 9.203 -9.465 11.255 1.00 0.00 C ATOM 856 CD1 TRP A 54 9.029 -9.121 12.562 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.053 -8.482 10.693 1.00 0.00 C ATOM 858 NE1 TRP A 54 9.709 -7.970 12.837 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.348 -7.555 11.706 1.00 0.00 C ATOM 860 CE3 TRP A 54 10.587 -8.291 9.428 1.00 0.00 C ATOM 861 CZ2 TRP A 54 11.159 -6.455 11.491 1.00 0.00 C ATOM 862 CZ3 TRP A 54 11.395 -7.197 9.212 1.00 0.00 C ATOM 863 CH2 TRP A 54 11.674 -6.292 10.241 1.00 0.00 C ATOM 0 H TRP A 54 7.480 -12.722 10.095 1.00 0.00 H new ATOM 0 HA TRP A 54 6.775 -10.338 11.572 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.064 -11.551 11.010 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.951 -10.633 9.522 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.439 -9.677 13.276 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.735 -7.498 13.741 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.374 -8.985 8.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.375 -5.753 12.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.820 -7.035 8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.312 -5.445 10.040 1.00 0.00 H new ATOM 874 N THR A 55 6.456 -8.560 9.716 1.00 0.00 N ATOM 875 CA THR A 55 5.774 -7.637 8.809 1.00 0.00 C ATOM 876 C THR A 55 6.532 -7.452 7.495 1.00 0.00 C ATOM 877 O THR A 55 7.756 -7.599 7.437 1.00 0.00 O ATOM 878 CB THR A 55 5.548 -6.249 9.475 1.00 0.00 C ATOM 879 OG1 THR A 55 4.884 -5.358 8.559 1.00 0.00 O ATOM 880 CG2 THR A 55 6.871 -5.629 9.917 1.00 0.00 C ATOM 0 H THR A 55 6.928 -8.103 10.496 1.00 0.00 H new ATOM 0 HA THR A 55 4.807 -8.089 8.586 1.00 0.00 H new ATOM 0 HB THR A 55 4.922 -6.400 10.355 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.368 -4.695 9.064 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.682 -4.660 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.358 -6.286 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.519 -5.498 9.050 1.00 0.00 H new ATOM 888 N VAL A 56 5.789 -7.130 6.442 1.00 0.00 N ATOM 889 CA VAL A 56 6.368 -6.900 5.134 1.00 0.00 C ATOM 890 C VAL A 56 6.771 -5.432 4.972 1.00 0.00 C ATOM 891 O VAL A 56 7.548 -5.092 4.093 1.00 0.00 O ATOM 892 CB VAL A 56 5.376 -7.278 3.998 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.230 -6.286 3.922 1.00 0.00 C ATOM 894 CG2 VAL A 56 6.090 -7.373 2.657 1.00 0.00 C ATOM 0 H VAL A 56 4.775 -7.023 6.475 1.00 0.00 H new ATOM 0 HA VAL A 56 7.251 -7.535 5.058 1.00 0.00 H new ATOM 0 HB VAL A 56 4.962 -8.259 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.552 -6.575 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.690 -6.281 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.624 -5.289 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.372 -7.639 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.544 -6.411 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.866 -8.137 2.711 1.00 0.00 H new ATOM 904 N GLN A 57 6.253 -4.567 5.837 1.00 0.00 N ATOM 905 CA GLN A 57 6.534 -3.138 5.725 1.00 0.00 C ATOM 906 C GLN A 57 8.024 -2.854 5.916 1.00 0.00 C ATOM 907 O GLN A 57 8.600 -2.005 5.232 1.00 0.00 O ATOM 908 CB GLN A 57 5.702 -2.339 6.724 1.00 0.00 C ATOM 909 CG GLN A 57 5.770 -0.829 6.513 1.00 0.00 C ATOM 910 CD GLN A 57 5.305 -0.413 5.127 1.00 0.00 C ATOM 911 OE1 GLN A 57 4.031 -0.088 4.997 1.00 0.00 O flip ATOM 912 NE2 GLN A 57 6.093 -0.364 4.185 1.00 0.00 N flip ATOM 0 H GLN A 57 5.644 -4.824 6.614 1.00 0.00 H new ATOM 0 HA GLN A 57 6.256 -2.822 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.662 -2.660 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.041 -2.571 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.155 -0.333 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.795 -0.490 6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.070 -0.623 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.770 -0.065 3.265 1.00 0.00 H new ATOM 921 N ASN A 58 8.646 -3.591 6.825 1.00 0.00 N ATOM 922 CA ASN A 58 10.069 -3.423 7.095 1.00 0.00 C ATOM 923 C ASN A 58 10.884 -4.355 6.195 1.00 0.00 C ATOM 924 O ASN A 58 12.097 -4.495 6.344 1.00 0.00 O ATOM 925 CB ASN A 58 10.373 -3.713 8.568 1.00 0.00 C ATOM 926 CG ASN A 58 11.629 -2.991 9.063 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.778 -3.626 8.924 1.00 0.00 O flip ATOM 928 ND2 ASN A 58 11.559 -1.869 9.560 1.00 0.00 N flip ATOM 0 H ASN A 58 8.190 -4.310 7.387 1.00 0.00 H new ATOM 0 HA ASN A 58 10.346 -2.391 6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.521 -3.411 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.498 -4.787 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.654 -1.408 9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.406 -1.399 9.880 1.00 0.00 H new ATOM 935 N CYS A 59 10.202 -4.975 5.253 1.00 0.00 N ATOM 936 CA CYS A 59 10.818 -5.877 4.316 1.00 0.00 C ATOM 937 C CYS A 59 10.638 -5.331 2.919 1.00 0.00 C ATOM 938 O CYS A 59 9.591 -5.517 2.298 1.00 0.00 O ATOM 939 CB CYS A 59 10.201 -7.276 4.418 1.00 0.00 C ATOM 940 SG CYS A 59 10.339 -8.039 6.050 1.00 0.00 S ATOM 0 H CYS A 59 9.197 -4.862 5.120 1.00 0.00 H new ATOM 0 HA CYS A 59 11.880 -5.961 4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.147 -7.215 4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.681 -7.925 3.686 1.00 0.00 H new ATOM 0 HG CYS A 59 9.154 -8.175 6.567 1.00 0.00 H new ATOM 946 N ASP A 60 11.629 -4.619 2.452 1.00 0.00 N ATOM 947 CA ASP A 60 11.583 -4.023 1.127 1.00 0.00 C ATOM 948 C ASP A 60 11.516 -5.077 0.032 1.00 0.00 C ATOM 949 O ASP A 60 12.527 -5.654 -0.362 1.00 0.00 O ATOM 950 CB ASP A 60 12.770 -3.093 0.900 1.00 0.00 C ATOM 951 CG ASP A 60 12.817 -2.536 -0.512 1.00 0.00 C ATOM 952 OD1 ASP A 60 13.927 -2.444 -1.077 1.00 0.00 O ATOM 953 OD2 ASP A 60 11.747 -2.188 -1.059 1.00 0.00 O1- ATOM 0 H ASP A 60 12.488 -4.432 2.968 1.00 0.00 H new ATOM 0 HA ASP A 60 10.667 -3.434 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.721 -2.268 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.694 -3.634 1.104 1.00 0.00 H new ATOM 958 N LEU A 61 10.306 -5.361 -0.397 1.00 0.00 N ATOM 959 CA LEU A 61 10.052 -6.268 -1.504 1.00 0.00 C ATOM 960 C LEU A 61 9.538 -5.467 -2.687 1.00 0.00 C ATOM 961 O LEU A 61 9.243 -6.007 -3.749 1.00 0.00 O ATOM 962 CB LEU A 61 9.015 -7.336 -1.097 1.00 0.00 C ATOM 963 CG LEU A 61 9.542 -8.588 -0.363 1.00 0.00 C ATOM 964 CD1 LEU A 61 10.384 -8.225 0.845 1.00 0.00 C ATOM 965 CD2 LEU A 61 8.381 -9.471 0.060 1.00 0.00 C ATOM 0 H LEU A 61 9.460 -4.967 0.014 1.00 0.00 H new ATOM 0 HA LEU A 61 10.977 -6.777 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.271 -6.859 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.498 -7.665 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 61 10.181 -9.132 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.734 -9.135 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.241 -7.631 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.783 -7.647 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.763 -10.351 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.725 -8.914 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.821 -9.782 -0.822 1.00 0.00 H new ATOM 977 N ASP A 62 9.440 -4.168 -2.477 1.00 0.00 N ATOM 978 CA ASP A 62 8.958 -3.242 -3.487 1.00 0.00 C ATOM 979 C ASP A 62 10.094 -2.778 -4.385 1.00 0.00 C ATOM 980 O ASP A 62 9.948 -2.713 -5.602 1.00 0.00 O ATOM 981 CB ASP A 62 8.280 -2.047 -2.808 1.00 0.00 C ATOM 982 CG ASP A 62 8.197 -0.817 -3.688 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.461 -0.837 -4.689 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.855 0.193 -3.359 1.00 0.00 O1- ATOM 0 H ASP A 62 9.694 -3.722 -1.596 1.00 0.00 H new ATOM 0 HA ASP A 62 8.229 -3.754 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.274 -2.335 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.828 -1.797 -1.899 1.00 0.00 H new ATOM 989 N GLN A 63 11.233 -2.480 -3.788 1.00 0.00 N ATOM 990 CA GLN A 63 12.384 -2.007 -4.556 1.00 0.00 C ATOM 991 C GLN A 63 13.432 -3.094 -4.702 1.00 0.00 C ATOM 992 O GLN A 63 14.620 -2.810 -4.866 1.00 0.00 O ATOM 993 CB GLN A 63 13.002 -0.764 -3.922 1.00 0.00 C ATOM 994 CG GLN A 63 12.143 0.482 -4.033 1.00 0.00 C ATOM 995 CD GLN A 63 12.846 1.728 -3.522 1.00 0.00 C ATOM 996 OE1 GLN A 63 14.159 1.775 -3.666 1.00 0.00 O flip ATOM 997 NE2 GLN A 63 12.210 2.650 -3.014 1.00 0.00 N flip ATOM 0 H GLN A 63 11.392 -2.554 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 63 12.021 -1.742 -5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.196 -0.965 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.966 -0.571 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.860 0.631 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.221 0.334 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.197 2.579 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.696 3.486 -2.688 1.00 0.00 H new ATOM 1006 N GLN A 64 12.993 -4.333 -4.658 1.00 0.00 N ATOM 1007 CA GLN A 64 13.886 -5.470 -4.790 1.00 0.00 C ATOM 1008 C GLN A 64 13.386 -6.418 -5.869 1.00 0.00 C ATOM 1009 O GLN A 64 12.617 -6.015 -6.751 1.00 0.00 O ATOM 1010 CB GLN A 64 14.018 -6.198 -3.453 1.00 0.00 C ATOM 1011 CG GLN A 64 14.793 -5.420 -2.407 1.00 0.00 C ATOM 1012 CD GLN A 64 16.252 -5.242 -2.775 1.00 0.00 C ATOM 1013 OE1 GLN A 64 17.095 -6.068 -2.427 1.00 0.00 O ATOM 1014 NE2 GLN A 64 16.561 -4.179 -3.484 1.00 0.00 N ATOM 0 H GLN A 64 12.012 -4.583 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 64 14.871 -5.107 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.022 -6.414 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.510 -7.156 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.334 -4.441 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.724 -5.937 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.834 -3.517 -3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.528 -4.017 -3.765 1.00 0.00 H new HETATM 1023 N SEP A 65 13.841 -7.659 -5.815 1.00 0.00 N HETATM 1024 CA SEP A 65 13.426 -8.670 -6.766 1.00 0.00 C HETATM 1025 CB SEP A 65 14.269 -9.940 -6.580 1.00 0.00 C HETATM 1026 OG SEP A 65 13.993 -10.897 -7.596 1.00 0.00 O HETATM 1027 C SEP A 65 11.934 -8.982 -6.593 1.00 0.00 C HETATM 1028 O SEP A 65 11.295 -8.515 -5.648 1.00 0.00 O HETATM 1029 P SEP A 65 14.702 -10.785 -9.007 1.00 0.00 P HETATM 1030 O1P SEP A 65 13.832 -11.106 -10.131 1.00 0.00 O HETATM 1031 O2P SEP A 65 15.481 -9.563 -9.197 1.00 0.00 O HETATM 1032 O3P SEP A 65 15.787 -11.939 -9.001 1.00 0.00 O HETATM 0 HB3 SEP A 65 15.328 -9.682 -6.598 1.00 0.00 H new HETATM 0 HB2 SEP A 65 14.064 -10.375 -5.602 1.00 0.00 H new HETATM 0 HA SEP A 65 13.582 -8.293 -7.777 1.00 0.00 H new HETATM 0 H SEP A 65 14.594 -7.857 -5.157 1.00 0.00 H new ATOM 1037 N ILE A 66 11.389 -9.770 -7.494 1.00 0.00 N ATOM 1038 CA ILE A 66 9.985 -10.102 -7.443 1.00 0.00 C ATOM 1039 C ILE A 66 9.777 -11.390 -6.637 1.00 0.00 C ATOM 1040 O ILE A 66 10.607 -12.307 -6.682 1.00 0.00 O ATOM 1041 CB ILE A 66 9.386 -10.226 -8.876 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.867 -10.328 -8.832 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.966 -11.418 -9.608 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.208 -10.157 -10.187 1.00 0.00 C ATOM 0 H ILE A 66 11.898 -10.192 -8.270 1.00 0.00 H new ATOM 0 HA ILE A 66 9.455 -9.294 -6.940 1.00 0.00 H new ATOM 0 HB ILE A 66 9.655 -9.320 -9.420 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.588 -11.298 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.480 -9.570 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.530 -11.480 -10.605 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.047 -11.303 -9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.739 -12.330 -9.056 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.127 -10.242 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.457 -9.176 -10.591 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.566 -10.931 -10.866 1.00 0.00 H new ATOM 1056 N VAL A 67 8.692 -11.444 -5.887 1.00 0.00 N ATOM 1057 CA VAL A 67 8.410 -12.584 -5.029 1.00 0.00 C ATOM 1058 C VAL A 67 7.788 -13.722 -5.822 1.00 0.00 C ATOM 1059 O VAL A 67 6.854 -13.515 -6.579 1.00 0.00 O ATOM 1060 CB VAL A 67 7.446 -12.193 -3.884 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.297 -13.330 -2.881 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.916 -10.923 -3.197 1.00 0.00 C ATOM 0 H VAL A 67 7.987 -10.708 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 67 9.361 -12.911 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 67 6.465 -12.002 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.614 -13.028 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.900 -14.211 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.271 -13.566 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.224 -10.666 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.911 -11.081 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.951 -10.109 -3.921 1.00 0.00 H new ATOM 1072 N HIS A 68 8.319 -14.916 -5.652 1.00 0.00 N ATOM 1073 CA HIS A 68 7.779 -16.093 -6.314 1.00 0.00 C ATOM 1074 C HIS A 68 7.020 -16.935 -5.301 1.00 0.00 C ATOM 1075 O HIS A 68 7.481 -17.129 -4.182 1.00 0.00 O ATOM 1076 CB HIS A 68 8.899 -16.931 -6.956 1.00 0.00 C ATOM 1077 CG HIS A 68 9.539 -16.310 -8.172 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.317 -17.056 -9.024 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.495 -15.031 -8.622 1.00 0.00 C ATOM 1080 CE1 HIS A 68 10.726 -16.222 -9.966 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.258 -14.986 -9.766 1.00 0.00 N ATOM 0 H HIS A 68 9.128 -15.100 -5.059 1.00 0.00 H new ATOM 0 HA HIS A 68 7.105 -15.768 -7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.672 -17.111 -6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.492 -17.903 -7.234 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.963 -14.207 -8.169 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.359 -16.505 -10.794 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.433 -14.167 -10.349 1.00 0.00 H new ATOM 1089 N ILE A 69 5.854 -17.411 -5.675 1.00 0.00 N ATOM 1090 CA ILE A 69 5.055 -18.216 -4.773 1.00 0.00 C ATOM 1091 C ILE A 69 4.621 -19.523 -5.436 1.00 0.00 C ATOM 1092 O ILE A 69 3.963 -19.520 -6.486 1.00 0.00 O ATOM 1093 CB ILE A 69 3.818 -17.439 -4.258 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.260 -16.201 -3.466 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.949 -18.335 -3.400 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.121 -15.454 -2.801 1.00 0.00 C ATOM 0 H ILE A 69 5.437 -17.257 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 69 5.684 -18.455 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 69 3.231 -17.111 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.975 -16.507 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.784 -15.521 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.084 -17.773 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.611 -19.187 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.525 -18.690 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.516 -14.593 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.416 -15.115 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.610 -16.117 -2.102 1.00 0.00 H new ATOM 1108 N VAL A 70 4.991 -20.633 -4.817 1.00 0.00 N ATOM 1109 CA VAL A 70 4.687 -21.951 -5.345 1.00 0.00 C ATOM 1110 C VAL A 70 3.803 -22.742 -4.381 1.00 0.00 C ATOM 1111 O VAL A 70 3.927 -22.622 -3.161 1.00 0.00 O ATOM 1112 CB VAL A 70 5.976 -22.763 -5.647 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.765 -22.113 -6.776 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.842 -22.896 -4.399 1.00 0.00 C ATOM 0 H VAL A 70 5.508 -20.645 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 70 4.148 -21.796 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 70 5.679 -23.763 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.665 -22.696 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.151 -22.078 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.045 -21.100 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.738 -23.469 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.128 -21.905 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.280 -23.410 -3.619 1.00 0.00 H new ATOM 1124 N GLN A 71 2.905 -23.530 -4.936 1.00 0.00 N ATOM 1125 CA GLN A 71 1.997 -24.351 -4.152 1.00 0.00 C ATOM 1126 C GLN A 71 2.487 -25.793 -4.121 1.00 0.00 C ATOM 1127 O GLN A 71 2.944 -26.318 -5.136 1.00 0.00 O ATOM 1128 CB GLN A 71 0.607 -24.295 -4.779 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.485 -24.978 -3.978 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.793 -25.038 -4.743 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.075 -24.185 -5.583 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.600 -26.040 -4.458 1.00 0.00 N ATOM 0 H GLN A 71 2.782 -23.621 -5.944 1.00 0.00 H new ATOM 0 HA GLN A 71 1.958 -23.972 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.332 -23.250 -4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.652 -24.752 -5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.168 -25.989 -3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.637 -24.443 -3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.330 -26.728 -3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.494 -26.128 -4.941 1.00 0.00 H new ATOM 1141 N ARG A 72 2.405 -26.429 -2.960 1.00 0.00 N ATOM 1142 CA ARG A 72 2.807 -27.820 -2.837 1.00 0.00 C ATOM 1143 C ARG A 72 1.624 -28.693 -2.416 1.00 0.00 C ATOM 1144 O ARG A 72 1.295 -28.789 -1.229 1.00 0.00 O ATOM 1145 CB ARG A 72 3.969 -27.979 -1.851 1.00 0.00 C ATOM 1146 CG ARG A 72 4.412 -29.423 -1.658 1.00 0.00 C ATOM 1147 CD ARG A 72 5.664 -29.515 -0.805 1.00 0.00 C ATOM 1148 NE ARG A 72 6.824 -28.925 -1.473 1.00 0.00 N ATOM 1149 CZ ARG A 72 8.074 -28.983 -1.008 1.00 0.00 C ATOM 1150 NH1 ARG A 72 8.332 -29.574 0.155 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 9.065 -28.444 -1.705 1.00 0.00 N ATOM 0 H ARG A 72 2.066 -26.006 -2.096 1.00 0.00 H new ATOM 0 HA ARG A 72 3.150 -28.152 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.817 -27.392 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.675 -27.566 -0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.609 -29.991 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.599 -29.880 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.495 -29.007 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.870 -30.560 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 72 6.667 -28.436 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.573 -29.986 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.289 -29.615 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.872 -27.986 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.020 -28.488 -1.351 1.00 0.00 H new ATOM 1165 N PRO A 73 0.954 -29.316 -3.392 1.00 0.00 N ATOM 1166 CA PRO A 73 -0.185 -30.181 -3.144 1.00 0.00 C ATOM 1167 C PRO A 73 0.232 -31.638 -2.939 1.00 0.00 C ATOM 1168 O PRO A 73 1.406 -31.987 -3.098 1.00 0.00 O ATOM 1169 CB PRO A 73 -0.990 -30.040 -4.431 1.00 0.00 C ATOM 1170 CG PRO A 73 0.029 -29.787 -5.503 1.00 0.00 C ATOM 1171 CD PRO A 73 1.261 -29.221 -4.830 1.00 0.00 C ATOM 0 HA PRO A 73 -0.729 -29.910 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.564 -30.943 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.703 -29.218 -4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.269 -30.710 -6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.359 -29.088 -6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.154 -29.791 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.443 -28.190 -5.132 1.00 0.00 H new ATOM 1179 N TRP A 74 -0.728 -32.486 -2.590 1.00 0.00 N ATOM 1180 CA TRP A 74 -0.454 -33.903 -2.387 1.00 0.00 C ATOM 1181 C TRP A 74 -0.412 -34.645 -3.716 1.00 0.00 C ATOM 1182 O TRP A 74 -1.373 -35.314 -4.090 1.00 0.00 O ATOM 1183 CB TRP A 74 -1.490 -34.547 -1.455 1.00 0.00 C ATOM 1184 CG TRP A 74 -1.413 -34.062 -0.040 1.00 0.00 C ATOM 1185 CD1 TRP A 74 -2.050 -32.986 0.484 1.00 0.00 C ATOM 1186 CD2 TRP A 74 -0.657 -34.642 1.030 1.00 0.00 C ATOM 1187 NE1 TRP A 74 -1.740 -32.850 1.814 1.00 0.00 N ATOM 1188 CE2 TRP A 74 -0.885 -33.854 2.174 1.00 0.00 C ATOM 1189 CE3 TRP A 74 0.188 -35.748 1.132 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 -0.298 -34.137 3.403 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 0.771 -36.028 2.353 1.00 0.00 C ATOM 1192 CH2 TRP A 74 0.525 -35.225 3.474 1.00 0.00 C ATOM 0 H TRP A 74 -1.701 -32.218 -2.442 1.00 0.00 H new ATOM 0 HA TRP A 74 0.524 -33.980 -1.913 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -2.489 -34.348 -1.844 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -1.353 -35.628 -1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.708 -32.330 -0.067 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -2.090 -32.119 2.433 1.00 0.00 H new ATOM 0 HE3 TRP A 74 0.382 -36.373 0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.486 -33.519 4.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.428 -36.881 2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 74 0.996 -35.471 4.414 1.00 0.00 H new ATOM 1203 N ARG A 75 0.703 -34.492 -4.431 1.00 0.00 N ATOM 1204 CA ARG A 75 0.919 -35.142 -5.730 1.00 0.00 C ATOM 1205 C ARG A 75 -0.194 -34.834 -6.729 1.00 0.00 C ATOM 1206 O ARG A 75 -1.135 -35.618 -6.893 1.00 0.00 O ATOM 1207 CB ARG A 75 1.081 -36.655 -5.575 1.00 0.00 C ATOM 1208 CG ARG A 75 2.355 -37.068 -4.872 1.00 0.00 C ATOM 1209 CD ARG A 75 2.448 -38.575 -4.748 1.00 0.00 C ATOM 1210 NE ARG A 75 3.724 -38.996 -4.177 1.00 0.00 N ATOM 1211 CZ ARG A 75 3.888 -39.418 -2.922 1.00 0.00 C ATOM 1212 NH1 ARG A 75 2.858 -39.433 -2.078 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 5.084 -39.814 -2.509 1.00 0.00 N ATOM 0 H ARG A 75 1.486 -33.913 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 75 1.845 -34.727 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.228 -37.046 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.057 -37.116 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.216 -36.692 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.390 -36.616 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.633 -38.939 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.323 -39.029 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 75 4.547 -38.965 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.938 -39.121 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.989 -39.757 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.877 -39.796 -3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.211 -40.137 -1.550 1.00 0.00 H new ATOM 1227 N LYS A 76 -0.093 -33.703 -7.393 1.00 0.00 N ATOM 1228 CA LYS A 76 -1.077 -33.325 -8.386 1.00 0.00 C ATOM 1229 C LYS A 76 -0.463 -33.341 -9.777 1.00 0.00 C ATOM 1230 O LYS A 76 -0.074 -32.264 -10.276 1.00 0.00 O ATOM 1231 CB LYS A 76 -1.677 -31.953 -8.071 1.00 0.00 C ATOM 1232 CG LYS A 76 -2.584 -31.945 -6.850 1.00 0.00 C ATOM 1233 CD LYS A 76 -3.814 -32.809 -7.068 1.00 0.00 C ATOM 1234 CE LYS A 76 -4.727 -32.798 -5.855 1.00 0.00 C ATOM 1235 NZ LYS A 76 -5.921 -33.653 -6.065 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -0.340 -34.441 -10.357 1.00 0.00 O ATOM 0 H LYS A 76 0.661 -33.028 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.885 -34.056 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.867 -31.240 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.244 -31.608 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.032 -32.307 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.890 -30.923 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.362 -32.450 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.507 -33.832 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.177 -33.148 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.042 -31.776 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.523 -33.623 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.458 -33.304 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.620 -34.633 -6.241 1.00 0.00 H new TER 1250 LYS A 76