USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot -74:sc= 0.265 USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= 0.547 F(o=-0.34,f=0.81) USER MOD Set 2.1: A 58 THR OG1 : rot -24:sc= 1.48 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.963 K(o=2.4,f=-3.7!) USER MOD Set 3.1: A 4 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -152:sc= -3.69! (180deg=-5.23!) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0146 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -22:sc= 1.05 USER MOD Single : A 15 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.33) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00799 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 73:sc= 0.681 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 43 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 55 CYS SG : rot -176:sc= -1.08! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.759) USER MOD Single : A 72 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 165:sc= -0.621 USER MOD Single : A 78 GLN : amide:sc= -0.549 K(o=-0.55,f=-5.8!) USER MOD Single : A 86 THR OG1 : rot 42:sc= 0.31 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 97 GLN : amide:sc= -0.548 K(o=-0.55,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.706 -4.135 5.983 1.00 0.00 N ATOM 2 CA MET A 1 5.991 -4.368 4.547 1.00 0.00 C ATOM 3 C MET A 1 6.688 -5.726 4.352 1.00 0.00 C ATOM 4 O MET A 1 7.538 -6.125 5.154 1.00 0.00 O ATOM 5 CB MET A 1 6.835 -3.185 3.967 1.00 0.00 C ATOM 6 CG MET A 1 7.606 -3.481 2.666 1.00 0.00 C ATOM 7 SD MET A 1 9.146 -4.375 2.988 1.00 0.00 S ATOM 8 CE MET A 1 9.754 -4.642 1.340 1.00 0.00 C ATOM 0 H1 MET A 1 5.987 -3.167 6.240 1.00 0.00 H new ATOM 0 H2 MET A 1 4.689 -4.259 6.159 1.00 0.00 H new ATOM 0 H3 MET A 1 6.242 -4.816 6.558 1.00 0.00 H new ATOM 0 HA MET A 1 5.052 -4.404 3.994 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.167 -2.342 3.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.550 -2.868 4.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.978 -4.068 1.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.829 -2.545 2.154 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.364 -5.545 1.319 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.913 -4.756 0.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.358 -3.789 1.032 1.00 0.00 H new ATOM 18 N LEU A 2 6.285 -6.423 3.282 1.00 0.00 N ATOM 19 CA LEU A 2 6.908 -7.670 2.811 1.00 0.00 C ATOM 20 C LEU A 2 7.497 -7.429 1.415 1.00 0.00 C ATOM 21 O LEU A 2 7.043 -6.519 0.694 1.00 0.00 O ATOM 22 CB LEU A 2 5.862 -8.836 2.825 1.00 0.00 C ATOM 23 CG LEU A 2 4.442 -8.544 2.214 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.438 -8.512 0.670 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.388 -9.547 2.742 1.00 0.00 C ATOM 0 H LEU A 2 5.497 -6.129 2.704 1.00 0.00 H new ATOM 0 HA LEU A 2 7.718 -7.968 3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.292 -9.681 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.725 -9.153 3.859 1.00 0.00 H new ATOM 0 HG LEU A 2 4.172 -7.542 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.429 -8.306 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.113 -7.731 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.769 -9.477 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.417 -9.320 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.682 -10.561 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.322 -9.468 3.827 1.00 0.00 H new ATOM 37 N LEU A 3 8.530 -8.197 1.049 1.00 0.00 N ATOM 38 CA LEU A 3 9.128 -8.166 -0.298 1.00 0.00 C ATOM 39 C LEU A 3 8.106 -8.686 -1.312 1.00 0.00 C ATOM 40 O LEU A 3 7.833 -9.894 -1.356 1.00 0.00 O ATOM 41 CB LEU A 3 10.443 -9.030 -0.338 1.00 0.00 C ATOM 42 CG LEU A 3 11.710 -8.449 0.372 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.443 -8.082 1.847 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.911 -9.427 0.266 1.00 0.00 C ATOM 0 H LEU A 3 8.979 -8.862 1.679 1.00 0.00 H new ATOM 0 HA LEU A 3 9.396 -7.141 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.222 -10.000 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.696 -9.210 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 3 11.963 -7.527 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.354 -7.684 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.655 -7.330 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.131 -8.972 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.777 -8.996 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.652 -10.374 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.149 -9.598 -0.784 1.00 0.00 H new ATOM 56 N HIS A 4 7.479 -7.736 -2.042 1.00 0.00 N ATOM 57 CA HIS A 4 6.575 -7.994 -3.198 1.00 0.00 C ATOM 58 C HIS A 4 7.074 -9.140 -4.109 1.00 0.00 C ATOM 59 O HIS A 4 6.277 -9.919 -4.647 1.00 0.00 O ATOM 60 CB HIS A 4 6.445 -6.669 -4.015 1.00 0.00 C ATOM 61 CG HIS A 4 5.517 -6.722 -5.220 1.00 0.00 C ATOM 62 ND1 HIS A 4 4.247 -6.189 -5.214 1.00 0.00 N ATOM 63 CD2 HIS A 4 5.693 -7.227 -6.473 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.684 -6.368 -6.396 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.538 -6.996 -7.181 1.00 0.00 N ATOM 0 H HIS A 4 7.587 -6.742 -1.843 1.00 0.00 H new ATOM 0 HA HIS A 4 5.607 -8.315 -2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.095 -5.884 -3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.438 -6.377 -4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.580 -7.720 -6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.689 -6.052 -6.673 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.369 -7.265 -8.150 1.00 0.00 H new ATOM 74 N SER A 5 8.395 -9.218 -4.260 1.00 0.00 N ATOM 75 CA SER A 5 9.066 -10.191 -5.112 1.00 0.00 C ATOM 76 C SER A 5 10.549 -10.294 -4.719 1.00 0.00 C ATOM 77 O SER A 5 11.136 -9.311 -4.249 1.00 0.00 O ATOM 78 CB SER A 5 8.896 -9.772 -6.588 1.00 0.00 C ATOM 79 OG SER A 5 9.298 -8.423 -6.789 1.00 0.00 O ATOM 0 H SER A 5 9.041 -8.591 -3.781 1.00 0.00 H new ATOM 0 HA SER A 5 8.621 -11.177 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.487 -10.429 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.854 -9.892 -6.885 1.00 0.00 H new ATOM 0 HG SER A 5 9.182 -8.184 -7.732 1.00 0.00 H new ATOM 85 N VAL A 6 11.132 -11.492 -4.899 1.00 0.00 N ATOM 86 CA VAL A 6 12.557 -11.758 -4.627 1.00 0.00 C ATOM 87 C VAL A 6 13.019 -12.975 -5.457 1.00 0.00 C ATOM 88 O VAL A 6 12.269 -13.951 -5.625 1.00 0.00 O ATOM 89 CB VAL A 6 12.840 -11.987 -3.082 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.106 -13.234 -2.519 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.364 -12.049 -2.774 1.00 0.00 C ATOM 0 H VAL A 6 10.625 -12.309 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 6 13.129 -10.878 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 6 12.431 -11.117 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.335 -13.343 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.030 -13.112 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.437 -14.124 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.513 -12.207 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.814 -12.872 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.834 -11.111 -3.071 1.00 0.00 H new ATOM 101 N GLU A 7 14.237 -12.885 -6.012 1.00 0.00 N ATOM 102 CA GLU A 7 14.870 -13.990 -6.739 1.00 0.00 C ATOM 103 C GLU A 7 15.582 -14.898 -5.728 1.00 0.00 C ATOM 104 O GLU A 7 16.437 -14.436 -4.965 1.00 0.00 O ATOM 105 CB GLU A 7 15.895 -13.477 -7.800 1.00 0.00 C ATOM 106 CG GLU A 7 15.299 -12.725 -9.009 1.00 0.00 C ATOM 107 CD GLU A 7 14.592 -11.408 -8.641 1.00 0.00 C ATOM 108 OE1 GLU A 7 15.285 -10.401 -8.377 1.00 0.00 O ATOM 109 OE2 GLU A 7 13.348 -11.378 -8.610 1.00 0.00 O ATOM 0 H GLU A 7 14.810 -12.042 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 7 14.096 -14.541 -7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.605 -12.817 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.461 -14.331 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.097 -12.511 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.588 -13.378 -9.515 1.00 0.00 H new ATOM 116 N THR A 8 15.200 -16.173 -5.713 1.00 0.00 N ATOM 117 CA THR A 8 15.833 -17.221 -4.891 1.00 0.00 C ATOM 118 C THR A 8 16.452 -18.277 -5.834 1.00 0.00 C ATOM 119 O THR A 8 16.067 -18.331 -7.011 1.00 0.00 O ATOM 120 CB THR A 8 14.792 -17.884 -3.921 1.00 0.00 C ATOM 121 OG1 THR A 8 13.783 -18.570 -4.665 1.00 0.00 O ATOM 122 CG2 THR A 8 14.131 -16.840 -3.010 1.00 0.00 C ATOM 0 H THR A 8 14.427 -16.521 -6.280 1.00 0.00 H new ATOM 0 HA THR A 8 16.612 -16.776 -4.272 1.00 0.00 H new ATOM 0 HB THR A 8 15.333 -18.596 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.741 -18.205 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.416 -17.333 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.895 -16.344 -2.411 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.612 -16.101 -3.620 1.00 0.00 H new ATOM 130 N PRO A 9 17.435 -19.115 -5.366 1.00 0.00 N ATOM 131 CA PRO A 9 18.010 -20.224 -6.182 1.00 0.00 C ATOM 132 C PRO A 9 16.950 -21.258 -6.663 1.00 0.00 C ATOM 133 O PRO A 9 17.174 -21.964 -7.652 1.00 0.00 O ATOM 134 CB PRO A 9 19.061 -20.874 -5.229 1.00 0.00 C ATOM 135 CG PRO A 9 18.682 -20.401 -3.858 1.00 0.00 C ATOM 136 CD PRO A 9 18.120 -19.016 -4.048 1.00 0.00 C ATOM 0 HA PRO A 9 18.441 -19.854 -7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.033 -21.962 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.074 -20.565 -5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.945 -21.064 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.547 -20.385 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.426 -18.748 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.904 -18.259 -4.056 1.00 0.00 H new ATOM 144 N ARG A 10 15.797 -21.309 -5.967 1.00 0.00 N ATOM 145 CA ARG A 10 14.681 -22.237 -6.293 1.00 0.00 C ATOM 146 C ARG A 10 13.596 -21.557 -7.171 1.00 0.00 C ATOM 147 O ARG A 10 12.536 -22.144 -7.406 1.00 0.00 O ATOM 148 CB ARG A 10 14.077 -22.816 -4.973 1.00 0.00 C ATOM 149 CG ARG A 10 13.661 -21.749 -3.934 1.00 0.00 C ATOM 150 CD ARG A 10 13.198 -22.347 -2.590 1.00 0.00 C ATOM 151 NE ARG A 10 11.875 -22.985 -2.662 1.00 0.00 N ATOM 152 CZ ARG A 10 11.202 -23.497 -1.615 1.00 0.00 C ATOM 153 NH1 ARG A 10 11.753 -23.552 -0.399 1.00 0.00 N ATOM 154 NH2 ARG A 10 9.974 -23.965 -1.797 1.00 0.00 N ATOM 0 H ARG A 10 15.607 -20.711 -5.163 1.00 0.00 H new ATOM 0 HA ARG A 10 15.080 -23.060 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.205 -23.421 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.808 -23.483 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.503 -21.081 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.856 -21.143 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.930 -23.082 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.173 -21.558 -1.839 1.00 0.00 H new ATOM 0 HE ARG A 10 11.432 -23.044 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.700 -23.202 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.227 -23.944 0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.549 -23.935 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.455 -24.355 -1.010 1.00 0.00 H new ATOM 168 N GLY A 11 13.876 -20.323 -7.660 1.00 0.00 N ATOM 169 CA GLY A 11 12.988 -19.613 -8.613 1.00 0.00 C ATOM 170 C GLY A 11 12.580 -18.225 -8.123 1.00 0.00 C ATOM 171 O GLY A 11 13.223 -17.667 -7.240 1.00 0.00 O ATOM 0 H GLY A 11 14.713 -19.798 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.495 -19.519 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.093 -20.211 -8.782 1.00 0.00 H new ATOM 175 N GLU A 12 11.511 -17.659 -8.713 1.00 0.00 N ATOM 176 CA GLU A 12 10.950 -16.355 -8.292 1.00 0.00 C ATOM 177 C GLU A 12 9.913 -16.588 -7.178 1.00 0.00 C ATOM 178 O GLU A 12 9.085 -17.506 -7.277 1.00 0.00 O ATOM 179 CB GLU A 12 10.290 -15.611 -9.490 1.00 0.00 C ATOM 180 CG GLU A 12 9.674 -14.238 -9.126 1.00 0.00 C ATOM 181 CD GLU A 12 8.937 -13.558 -10.296 1.00 0.00 C ATOM 182 OE1 GLU A 12 7.740 -13.846 -10.507 1.00 0.00 O ATOM 183 OE2 GLU A 12 9.551 -12.730 -11.008 1.00 0.00 O ATOM 0 H GLU A 12 11.011 -18.088 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 12 11.761 -15.729 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.038 -15.465 -10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.510 -16.246 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.978 -14.371 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.466 -13.577 -8.774 1.00 0.00 H new ATOM 190 N ILE A 13 9.955 -15.747 -6.131 1.00 0.00 N ATOM 191 CA ILE A 13 9.072 -15.848 -4.956 1.00 0.00 C ATOM 192 C ILE A 13 8.382 -14.492 -4.740 1.00 0.00 C ATOM 193 O ILE A 13 9.051 -13.462 -4.663 1.00 0.00 O ATOM 194 CB ILE A 13 9.877 -16.250 -3.657 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.657 -17.589 -3.859 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.946 -16.333 -2.422 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.797 -18.805 -4.155 1.00 0.00 C ATOM 0 H ILE A 13 10.611 -14.968 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 13 8.333 -16.628 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 13 10.609 -15.464 -3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.365 -17.458 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.242 -17.788 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.530 -16.612 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.478 -15.363 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.175 -17.083 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.435 -19.680 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.106 -18.972 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.232 -18.636 -5.072 1.00 0.00 H new ATOM 209 N LEU A 14 7.048 -14.510 -4.656 1.00 0.00 N ATOM 210 CA LEU A 14 6.217 -13.309 -4.478 1.00 0.00 C ATOM 211 C LEU A 14 5.687 -13.233 -3.033 1.00 0.00 C ATOM 212 O LEU A 14 5.570 -14.272 -2.365 1.00 0.00 O ATOM 213 CB LEU A 14 5.032 -13.349 -5.477 1.00 0.00 C ATOM 214 CG LEU A 14 5.413 -13.533 -6.980 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.152 -13.599 -7.864 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.384 -12.426 -7.457 1.00 0.00 C ATOM 0 H LEU A 14 6.504 -15.371 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 14 6.824 -12.424 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.366 -14.163 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.466 -12.423 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 14 5.936 -14.484 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.445 -13.727 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.534 -14.442 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.584 -12.675 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.629 -12.584 -8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.911 -11.451 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.297 -12.462 -6.863 1.00 0.00 H new ATOM 228 N ASN A 15 5.342 -11.988 -2.607 1.00 0.00 N ATOM 229 CA ASN A 15 4.746 -11.630 -1.286 1.00 0.00 C ATOM 230 C ASN A 15 5.353 -12.427 -0.114 1.00 0.00 C ATOM 231 O ASN A 15 4.811 -13.447 0.311 1.00 0.00 O ATOM 232 CB ASN A 15 3.172 -11.676 -1.322 1.00 0.00 C ATOM 233 CG ASN A 15 2.554 -13.062 -1.578 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.189 -13.784 -0.644 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.468 -13.457 -2.847 1.00 0.00 N ATOM 0 H ASN A 15 5.477 -11.169 -3.200 1.00 0.00 H new ATOM 0 HA ASN A 15 5.018 -10.593 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.793 -11.299 -0.372 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.824 -10.994 -2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.092 -14.379 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.778 -12.838 -3.596 1.00 0.00 H new ATOM 242 N VAL A 16 6.512 -11.971 0.383 1.00 0.00 N ATOM 243 CA VAL A 16 7.274 -12.715 1.397 1.00 0.00 C ATOM 244 C VAL A 16 8.110 -11.763 2.257 1.00 0.00 C ATOM 245 O VAL A 16 8.747 -10.854 1.736 1.00 0.00 O ATOM 246 CB VAL A 16 8.190 -13.805 0.715 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.194 -13.192 -0.292 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.920 -14.675 1.762 1.00 0.00 C ATOM 0 H VAL A 16 6.942 -11.091 0.099 1.00 0.00 H new ATOM 0 HA VAL A 16 6.565 -13.225 2.050 1.00 0.00 H new ATOM 0 HB VAL A 16 7.521 -14.452 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.799 -13.985 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.648 -12.673 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.843 -12.486 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.540 -15.413 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.549 -14.041 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.186 -15.186 2.386 1.00 0.00 H new ATOM 258 N SER A 17 8.086 -11.970 3.579 1.00 0.00 N ATOM 259 CA SER A 17 8.938 -11.223 4.519 1.00 0.00 C ATOM 260 C SER A 17 10.411 -11.658 4.367 1.00 0.00 C ATOM 261 O SER A 17 10.685 -12.765 3.899 1.00 0.00 O ATOM 262 CB SER A 17 8.459 -11.457 5.971 1.00 0.00 C ATOM 263 OG SER A 17 9.296 -10.797 6.905 1.00 0.00 O ATOM 0 H SER A 17 7.479 -12.656 4.028 1.00 0.00 H new ATOM 0 HA SER A 17 8.863 -10.160 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.436 -11.098 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.446 -12.526 6.184 1.00 0.00 H new ATOM 0 HG SER A 17 8.967 -10.962 7.813 1.00 0.00 H new ATOM 269 N GLU A 18 11.334 -10.781 4.811 1.00 0.00 N ATOM 270 CA GLU A 18 12.794 -11.001 4.730 1.00 0.00 C ATOM 271 C GLU A 18 13.192 -12.315 5.423 1.00 0.00 C ATOM 272 O GLU A 18 13.945 -13.109 4.868 1.00 0.00 O ATOM 273 CB GLU A 18 13.585 -9.833 5.386 1.00 0.00 C ATOM 274 CG GLU A 18 13.202 -8.413 4.918 1.00 0.00 C ATOM 275 CD GLU A 18 12.036 -7.788 5.719 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.288 -7.261 6.821 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.869 -7.841 5.261 1.00 0.00 O ATOM 0 H GLU A 18 11.085 -9.890 5.241 1.00 0.00 H new ATOM 0 HA GLU A 18 13.046 -11.053 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.448 -9.888 6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.647 -9.985 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.075 -7.765 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.929 -8.449 3.863 1.00 0.00 H new ATOM 284 N GLN A 19 12.619 -12.529 6.625 1.00 0.00 N ATOM 285 CA GLN A 19 12.924 -13.692 7.480 1.00 0.00 C ATOM 286 C GLN A 19 12.560 -15.018 6.786 1.00 0.00 C ATOM 287 O GLN A 19 13.366 -15.946 6.777 1.00 0.00 O ATOM 288 CB GLN A 19 12.179 -13.563 8.836 1.00 0.00 C ATOM 289 CG GLN A 19 12.618 -12.350 9.681 1.00 0.00 C ATOM 290 CD GLN A 19 11.934 -12.290 11.049 1.00 0.00 C ATOM 291 OE1 GLN A 19 10.891 -11.663 11.211 1.00 0.00 O ATOM 292 NE2 GLN A 19 12.515 -12.949 12.040 1.00 0.00 N ATOM 0 H GLN A 19 11.929 -11.897 7.031 1.00 0.00 H new ATOM 0 HA GLN A 19 13.999 -13.704 7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.108 -13.491 8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.339 -14.473 9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.698 -12.386 9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.399 -11.434 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.381 -13.461 11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.096 -12.945 12.970 1.00 0.00 H new ATOM 301 N GLU A 20 11.351 -15.080 6.192 1.00 0.00 N ATOM 302 CA GLU A 20 10.852 -16.296 5.510 1.00 0.00 C ATOM 303 C GLU A 20 11.619 -16.552 4.202 1.00 0.00 C ATOM 304 O GLU A 20 12.003 -17.688 3.918 1.00 0.00 O ATOM 305 CB GLU A 20 9.328 -16.182 5.234 1.00 0.00 C ATOM 306 CG GLU A 20 8.746 -17.327 4.373 1.00 0.00 C ATOM 307 CD GLU A 20 7.216 -17.302 4.258 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.681 -16.542 3.425 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.536 -18.030 5.003 1.00 0.00 O ATOM 0 H GLU A 20 10.697 -14.298 6.170 1.00 0.00 H new ATOM 0 HA GLU A 20 11.022 -17.145 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.800 -16.156 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.132 -15.233 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.177 -17.272 3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.053 -18.282 4.800 1.00 0.00 H new ATOM 316 N ALA A 21 11.790 -15.487 3.397 1.00 0.00 N ATOM 317 CA ALA A 21 12.600 -15.527 2.168 1.00 0.00 C ATOM 318 C ALA A 21 13.994 -16.138 2.427 1.00 0.00 C ATOM 319 O ALA A 21 14.399 -17.040 1.711 1.00 0.00 O ATOM 320 CB ALA A 21 12.708 -14.125 1.559 1.00 0.00 C ATOM 0 H ALA A 21 11.370 -14.576 3.581 1.00 0.00 H new ATOM 0 HA ALA A 21 12.098 -16.175 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.309 -14.168 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.711 -13.756 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.180 -13.453 2.275 1.00 0.00 H new ATOM 326 N ARG A 22 14.674 -15.680 3.495 1.00 0.00 N ATOM 327 CA ARG A 22 15.997 -16.207 3.911 1.00 0.00 C ATOM 328 C ARG A 22 15.893 -17.665 4.404 1.00 0.00 C ATOM 329 O ARG A 22 16.687 -18.519 4.002 1.00 0.00 O ATOM 330 CB ARG A 22 16.614 -15.330 5.040 1.00 0.00 C ATOM 331 CG ARG A 22 17.012 -13.917 4.598 1.00 0.00 C ATOM 332 CD ARG A 22 17.500 -13.022 5.751 1.00 0.00 C ATOM 333 NE ARG A 22 18.771 -13.486 6.344 1.00 0.00 N ATOM 334 CZ ARG A 22 19.435 -12.864 7.336 1.00 0.00 C ATOM 335 NH1 ARG A 22 18.948 -11.768 7.917 1.00 0.00 N ATOM 336 NH2 ARG A 22 20.588 -13.362 7.748 1.00 0.00 N ATOM 0 H ARG A 22 14.325 -14.934 4.097 1.00 0.00 H new ATOM 0 HA ARG A 22 16.643 -16.176 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.897 -15.253 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.495 -15.835 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.799 -13.989 3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.157 -13.442 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.627 -12.003 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.735 -12.988 6.526 1.00 0.00 H new ATOM 0 HE ARG A 22 19.177 -14.345 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.054 -11.383 7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.469 -11.314 8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.963 -14.206 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.103 -12.902 8.499 1.00 0.00 H new ATOM 350 N ASP A 23 14.890 -17.936 5.260 1.00 0.00 N ATOM 351 CA ASP A 23 14.788 -19.213 6.002 1.00 0.00 C ATOM 352 C ASP A 23 14.247 -20.348 5.108 1.00 0.00 C ATOM 353 O ASP A 23 14.958 -21.319 4.824 1.00 0.00 O ATOM 354 CB ASP A 23 13.896 -19.018 7.264 1.00 0.00 C ATOM 355 CG ASP A 23 13.616 -20.320 8.041 1.00 0.00 C ATOM 356 OD1 ASP A 23 14.571 -20.920 8.581 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.441 -20.744 8.115 1.00 0.00 O ATOM 0 H ASP A 23 14.131 -17.283 5.458 1.00 0.00 H new ATOM 0 HA ASP A 23 15.788 -19.508 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.380 -18.305 7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.947 -18.577 6.961 1.00 0.00 H new ATOM 362 N VAL A 24 13.001 -20.186 4.652 1.00 0.00 N ATOM 363 CA VAL A 24 12.283 -21.177 3.828 1.00 0.00 C ATOM 364 C VAL A 24 12.832 -21.218 2.391 1.00 0.00 C ATOM 365 O VAL A 24 13.242 -22.273 1.899 1.00 0.00 O ATOM 366 CB VAL A 24 10.738 -20.854 3.791 1.00 0.00 C ATOM 367 CG1 VAL A 24 9.960 -21.844 2.881 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.145 -20.817 5.225 1.00 0.00 C ATOM 0 H VAL A 24 12.449 -19.350 4.846 1.00 0.00 H new ATOM 0 HA VAL A 24 12.438 -22.154 4.286 1.00 0.00 H new ATOM 0 HB VAL A 24 10.622 -19.863 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.901 -21.586 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.345 -21.782 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.087 -22.860 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.080 -20.593 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.289 -21.786 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.650 -20.046 5.808 1.00 0.00 H new ATOM 378 N PHE A 25 12.847 -20.053 1.737 1.00 0.00 N ATOM 379 CA PHE A 25 13.125 -19.952 0.291 1.00 0.00 C ATOM 380 C PHE A 25 14.627 -19.813 -0.015 1.00 0.00 C ATOM 381 O PHE A 25 15.038 -19.979 -1.170 1.00 0.00 O ATOM 382 CB PHE A 25 12.307 -18.786 -0.309 1.00 0.00 C ATOM 383 CG PHE A 25 10.797 -18.967 -0.139 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.123 -19.994 -0.806 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.048 -18.117 0.678 1.00 0.00 C ATOM 386 CE1 PHE A 25 8.758 -20.165 -0.662 1.00 0.00 C ATOM 387 CE2 PHE A 25 8.682 -18.291 0.820 1.00 0.00 C ATOM 388 CZ PHE A 25 8.038 -19.310 0.149 1.00 0.00 C ATOM 0 H PHE A 25 12.669 -19.155 2.187 1.00 0.00 H new ATOM 0 HA PHE A 25 12.815 -20.884 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.612 -17.853 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.539 -18.694 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.678 -20.665 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.541 -17.314 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.256 -20.966 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.118 -17.627 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.971 -19.439 0.258 1.00 0.00 H new ATOM 398 N GLY A 26 15.435 -19.528 1.021 1.00 0.00 N ATOM 399 CA GLY A 26 16.893 -19.480 0.891 1.00 0.00 C ATOM 400 C GLY A 26 17.397 -18.345 0.010 1.00 0.00 C ATOM 401 O GLY A 26 18.275 -18.545 -0.832 1.00 0.00 O ATOM 0 H GLY A 26 15.095 -19.327 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.333 -19.380 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.243 -20.428 0.481 1.00 0.00 H new ATOM 405 N ALA A 27 16.835 -17.152 0.220 1.00 0.00 N ATOM 406 CA ALA A 27 17.205 -15.941 -0.514 1.00 0.00 C ATOM 407 C ALA A 27 18.463 -15.321 0.103 1.00 0.00 C ATOM 408 O ALA A 27 18.646 -15.353 1.331 1.00 0.00 O ATOM 409 CB ALA A 27 16.050 -14.935 -0.507 1.00 0.00 C ATOM 0 H ALA A 27 16.102 -16.999 0.913 1.00 0.00 H new ATOM 0 HA ALA A 27 17.417 -16.208 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.343 -14.041 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.175 -15.382 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.809 -14.665 0.521 1.00 0.00 H new ATOM 415 N SER A 28 19.302 -14.750 -0.764 1.00 0.00 N ATOM 416 CA SER A 28 20.590 -14.162 -0.391 1.00 0.00 C ATOM 417 C SER A 28 20.356 -12.803 0.271 1.00 0.00 C ATOM 418 O SER A 28 19.414 -12.102 -0.085 1.00 0.00 O ATOM 419 CB SER A 28 21.468 -14.011 -1.655 1.00 0.00 C ATOM 420 OG SER A 28 21.562 -15.232 -2.374 1.00 0.00 O ATOM 0 H SER A 28 19.102 -14.682 -1.762 1.00 0.00 H new ATOM 0 HA SER A 28 21.105 -14.810 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.048 -13.239 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 28 22.466 -13.679 -1.368 1.00 0.00 H new ATOM 0 HG SER A 28 22.122 -15.102 -3.168 1.00 0.00 H new ATOM 426 N GLU A 29 21.240 -12.425 1.202 1.00 0.00 N ATOM 427 CA GLU A 29 21.111 -11.161 1.953 1.00 0.00 C ATOM 428 C GLU A 29 21.258 -9.941 1.010 1.00 0.00 C ATOM 429 O GLU A 29 20.691 -8.872 1.272 1.00 0.00 O ATOM 430 CB GLU A 29 22.114 -11.118 3.130 1.00 0.00 C ATOM 431 CG GLU A 29 21.816 -12.176 4.215 1.00 0.00 C ATOM 432 CD GLU A 29 22.719 -12.066 5.451 1.00 0.00 C ATOM 433 OE1 GLU A 29 22.385 -11.291 6.379 1.00 0.00 O ATOM 434 OE2 GLU A 29 23.759 -12.754 5.508 1.00 0.00 O ATOM 0 H GLU A 29 22.059 -12.977 1.458 1.00 0.00 H new ATOM 0 HA GLU A 29 20.111 -11.112 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.123 -11.273 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.093 -10.126 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.776 -12.080 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.929 -13.170 3.781 1.00 0.00 H new ATOM 441 N GLN A 30 21.969 -10.145 -0.118 1.00 0.00 N ATOM 442 CA GLN A 30 22.054 -9.158 -1.216 1.00 0.00 C ATOM 443 C GLN A 30 20.693 -9.023 -1.929 1.00 0.00 C ATOM 444 O GLN A 30 20.282 -7.926 -2.285 1.00 0.00 O ATOM 445 CB GLN A 30 23.164 -9.564 -2.226 1.00 0.00 C ATOM 446 CG GLN A 30 22.968 -10.946 -2.893 1.00 0.00 C ATOM 447 CD GLN A 30 24.050 -11.295 -3.905 1.00 0.00 C ATOM 448 OE1 GLN A 30 25.080 -11.856 -3.552 1.00 0.00 O ATOM 449 NE2 GLN A 30 23.835 -10.955 -5.163 1.00 0.00 N ATOM 0 H GLN A 30 22.500 -10.998 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 30 22.314 -8.189 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 30 23.219 -8.805 -3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 30 24.124 -9.560 -1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 30 22.945 -11.713 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.998 -10.966 -3.390 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.966 -10.489 -5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 30 24.538 -11.159 -5.874 1.00 0.00 H new ATOM 458 N ALA A 31 19.991 -10.159 -2.090 1.00 0.00 N ATOM 459 CA ALA A 31 18.672 -10.225 -2.756 1.00 0.00 C ATOM 460 C ALA A 31 17.564 -9.751 -1.809 1.00 0.00 C ATOM 461 O ALA A 31 16.506 -9.306 -2.253 1.00 0.00 O ATOM 462 CB ALA A 31 18.391 -11.649 -3.246 1.00 0.00 C ATOM 0 H ALA A 31 20.323 -11.065 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 31 18.689 -9.560 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.417 -11.680 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.162 -11.948 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.394 -12.333 -2.397 1.00 0.00 H new ATOM 468 N ILE A 32 17.844 -9.822 -0.490 1.00 0.00 N ATOM 469 CA ILE A 32 16.870 -9.475 0.558 1.00 0.00 C ATOM 470 C ILE A 32 16.891 -7.958 0.742 1.00 0.00 C ATOM 471 O ILE A 32 15.852 -7.320 0.930 1.00 0.00 O ATOM 472 CB ILE A 32 17.220 -10.188 1.918 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.959 -11.711 1.807 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.458 -9.583 3.126 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.517 -12.075 1.563 1.00 0.00 C ATOM 0 H ILE A 32 18.749 -10.121 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 32 15.878 -9.811 0.257 1.00 0.00 H new ATOM 0 HB ILE A 32 18.280 -10.019 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.566 -12.114 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.293 -12.193 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.739 -10.114 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.715 -8.529 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.384 -9.681 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.421 -13.159 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.904 -11.705 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.181 -11.625 0.629 1.00 0.00 H new ATOM 487 N ALA A 33 18.106 -7.393 0.614 1.00 0.00 N ATOM 488 CA ALA A 33 18.358 -5.980 0.875 1.00 0.00 C ATOM 489 C ALA A 33 17.881 -5.174 -0.331 1.00 0.00 C ATOM 490 O ALA A 33 17.200 -4.162 -0.188 1.00 0.00 O ATOM 491 CB ALA A 33 19.848 -5.738 1.138 1.00 0.00 C ATOM 0 H ALA A 33 18.936 -7.912 0.326 1.00 0.00 H new ATOM 0 HA ALA A 33 17.814 -5.664 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.016 -4.678 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.164 -6.319 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.426 -6.044 0.266 1.00 0.00 H new ATOM 497 N ASP A 34 18.272 -5.667 -1.526 1.00 0.00 N ATOM 498 CA ASP A 34 17.877 -5.105 -2.826 1.00 0.00 C ATOM 499 C ASP A 34 16.350 -5.068 -2.985 1.00 0.00 C ATOM 500 O ASP A 34 15.788 -4.012 -3.257 1.00 0.00 O ATOM 501 CB ASP A 34 18.509 -5.934 -3.974 1.00 0.00 C ATOM 502 CG ASP A 34 18.277 -5.322 -5.367 1.00 0.00 C ATOM 503 OD1 ASP A 34 19.008 -4.383 -5.740 1.00 0.00 O ATOM 504 OD2 ASP A 34 17.370 -5.784 -6.092 1.00 0.00 O ATOM 0 H ASP A 34 18.881 -6.481 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 34 18.243 -4.079 -2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.581 -6.025 -3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.096 -6.942 -3.955 1.00 0.00 H new ATOM 509 N ALA A 35 15.690 -6.232 -2.785 1.00 0.00 N ATOM 510 CA ALA A 35 14.228 -6.369 -2.989 1.00 0.00 C ATOM 511 C ALA A 35 13.419 -5.586 -1.940 1.00 0.00 C ATOM 512 O ALA A 35 12.377 -5.005 -2.274 1.00 0.00 O ATOM 513 CB ALA A 35 13.804 -7.840 -2.975 1.00 0.00 C ATOM 0 H ALA A 35 16.147 -7.092 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 35 14.011 -5.944 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.727 -7.910 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.318 -8.375 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.064 -8.285 -2.014 1.00 0.00 H new ATOM 519 N ARG A 36 13.895 -5.587 -0.671 1.00 0.00 N ATOM 520 CA ARG A 36 13.244 -4.812 0.408 1.00 0.00 C ATOM 521 C ARG A 36 13.316 -3.326 0.087 1.00 0.00 C ATOM 522 O ARG A 36 12.291 -2.646 0.064 1.00 0.00 O ATOM 523 CB ARG A 36 13.841 -5.084 1.817 1.00 0.00 C ATOM 524 CG ARG A 36 13.149 -4.268 2.949 1.00 0.00 C ATOM 525 CD ARG A 36 13.518 -4.741 4.363 1.00 0.00 C ATOM 526 NE ARG A 36 14.953 -4.613 4.658 1.00 0.00 N ATOM 527 CZ ARG A 36 15.557 -5.087 5.759 1.00 0.00 C ATOM 528 NH1 ARG A 36 14.886 -5.800 6.656 1.00 0.00 N ATOM 529 NH2 ARG A 36 16.847 -4.866 5.941 1.00 0.00 N ATOM 0 H ARG A 36 14.718 -6.110 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 36 12.206 -5.143 0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.755 -6.147 2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.905 -4.846 1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.419 -3.217 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.068 -4.333 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.950 -4.163 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.221 -5.783 4.480 1.00 0.00 H new ATOM 0 HE ARG A 36 15.533 -4.127 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.895 -5.996 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.362 -6.152 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.377 -4.338 5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.313 -5.223 6.775 1.00 0.00 H new ATOM 543 N LYS A 37 14.532 -2.863 -0.220 1.00 0.00 N ATOM 544 CA LYS A 37 14.797 -1.473 -0.629 1.00 0.00 C ATOM 545 C LYS A 37 13.991 -1.095 -1.873 1.00 0.00 C ATOM 546 O LYS A 37 13.526 0.021 -1.973 1.00 0.00 O ATOM 547 CB LYS A 37 16.297 -1.286 -0.934 1.00 0.00 C ATOM 548 CG LYS A 37 16.696 0.113 -1.477 1.00 0.00 C ATOM 549 CD LYS A 37 18.136 0.141 -2.018 1.00 0.00 C ATOM 550 CE LYS A 37 18.313 -0.793 -3.234 1.00 0.00 C ATOM 551 NZ LYS A 37 19.699 -0.802 -3.726 1.00 0.00 N ATOM 0 H LYS A 37 15.370 -3.445 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 37 14.498 -0.826 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.863 -1.478 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.599 -2.039 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.007 0.402 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.595 0.851 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.397 1.160 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.826 -0.156 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.020 -1.806 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.646 -0.475 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.773 -1.442 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.972 0.160 -4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.334 -1.130 -2.970 1.00 0.00 H new ATOM 565 N ALA A 38 13.793 -2.054 -2.786 1.00 0.00 N ATOM 566 CA ALA A 38 13.167 -1.800 -4.089 1.00 0.00 C ATOM 567 C ALA A 38 11.665 -1.560 -3.915 1.00 0.00 C ATOM 568 O ALA A 38 11.098 -0.620 -4.492 1.00 0.00 O ATOM 569 CB ALA A 38 13.409 -2.984 -5.038 1.00 0.00 C ATOM 0 H ALA A 38 14.062 -3.027 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 38 13.617 -0.908 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.939 -2.781 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.481 -3.123 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.979 -3.889 -4.608 1.00 0.00 H new ATOM 575 N THR A 39 11.044 -2.424 -3.087 1.00 0.00 N ATOM 576 CA THR A 39 9.616 -2.352 -2.766 1.00 0.00 C ATOM 577 C THR A 39 9.328 -1.076 -1.953 1.00 0.00 C ATOM 578 O THR A 39 8.422 -0.336 -2.297 1.00 0.00 O ATOM 579 CB THR A 39 9.133 -3.633 -1.997 1.00 0.00 C ATOM 580 OG1 THR A 39 9.500 -4.817 -2.722 1.00 0.00 O ATOM 581 CG2 THR A 39 7.604 -3.644 -1.764 1.00 0.00 C ATOM 0 H THR A 39 11.527 -3.193 -2.623 1.00 0.00 H new ATOM 0 HA THR A 39 9.055 -2.309 -3.700 1.00 0.00 H new ATOM 0 HB THR A 39 9.624 -3.615 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.467 -4.960 -2.647 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.324 -4.551 -1.229 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.320 -2.772 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.089 -3.616 -2.724 1.00 0.00 H new ATOM 589 N ILE A 40 10.171 -0.804 -0.925 1.00 0.00 N ATOM 590 CA ILE A 40 10.061 0.397 -0.055 1.00 0.00 C ATOM 591 C ILE A 40 10.207 1.691 -0.883 1.00 0.00 C ATOM 592 O ILE A 40 9.327 2.527 -0.858 1.00 0.00 O ATOM 593 CB ILE A 40 11.132 0.374 1.120 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.823 -0.765 2.147 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.223 1.743 1.848 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.552 -0.549 2.955 1.00 0.00 C ATOM 0 H ILE A 40 10.950 -1.413 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 40 9.069 0.378 0.396 1.00 0.00 H new ATOM 0 HB ILE A 40 12.100 0.174 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.743 -1.710 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.665 -0.858 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.966 1.684 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.515 2.515 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.252 1.993 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.412 -1.383 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.634 0.378 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.698 -0.487 2.280 1.00 0.00 H new ATOM 608 N LEU A 41 11.304 1.799 -1.645 1.00 0.00 N ATOM 609 CA LEU A 41 11.635 2.983 -2.487 1.00 0.00 C ATOM 610 C LEU A 41 10.505 3.293 -3.483 1.00 0.00 C ATOM 611 O LEU A 41 10.216 4.462 -3.768 1.00 0.00 O ATOM 612 CB LEU A 41 13.031 2.772 -3.191 1.00 0.00 C ATOM 613 CG LEU A 41 13.287 3.437 -4.605 1.00 0.00 C ATOM 614 CD1 LEU A 41 14.755 3.879 -4.770 1.00 0.00 C ATOM 615 CD2 LEU A 41 12.903 2.467 -5.752 1.00 0.00 C ATOM 0 H LEU A 41 12.005 1.060 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 41 11.722 3.862 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.801 3.138 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.186 1.699 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 41 12.654 4.323 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.891 4.330 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.005 4.607 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.409 3.012 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.088 2.948 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.504 1.560 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.847 2.210 -5.673 1.00 0.00 H new ATOM 627 N GLN A 42 9.839 2.232 -3.961 1.00 0.00 N ATOM 628 CA GLN A 42 8.708 2.350 -4.884 1.00 0.00 C ATOM 629 C GLN A 42 7.466 2.844 -4.098 1.00 0.00 C ATOM 630 O GLN A 42 6.795 3.789 -4.510 1.00 0.00 O ATOM 631 CB GLN A 42 8.454 0.970 -5.551 1.00 0.00 C ATOM 632 CG GLN A 42 7.667 1.021 -6.872 1.00 0.00 C ATOM 633 CD GLN A 42 7.446 -0.359 -7.501 1.00 0.00 C ATOM 634 OE1 GLN A 42 7.306 -1.366 -6.803 1.00 0.00 O ATOM 635 NE2 GLN A 42 7.430 -0.417 -8.827 1.00 0.00 N ATOM 0 H GLN A 42 10.072 1.269 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 42 8.922 3.073 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.415 0.491 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.913 0.337 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.699 1.490 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.201 1.654 -7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.549 0.434 -9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.299 -1.313 -9.297 1.00 0.00 H new ATOM 644 N THR A 43 7.257 2.223 -2.911 1.00 0.00 N ATOM 645 CA THR A 43 6.138 2.498 -1.975 1.00 0.00 C ATOM 646 C THR A 43 6.126 3.976 -1.522 1.00 0.00 C ATOM 647 O THR A 43 5.061 4.582 -1.421 1.00 0.00 O ATOM 648 CB THR A 43 6.242 1.538 -0.724 1.00 0.00 C ATOM 649 OG1 THR A 43 6.100 0.180 -1.146 1.00 0.00 O ATOM 650 CG2 THR A 43 5.204 1.808 0.374 1.00 0.00 C ATOM 0 H THR A 43 7.882 1.494 -2.568 1.00 0.00 H new ATOM 0 HA THR A 43 5.201 2.309 -2.499 1.00 0.00 H new ATOM 0 HB THR A 43 7.223 1.733 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.916 -0.106 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.349 1.104 1.193 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.323 2.826 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.201 1.687 -0.036 1.00 0.00 H new ATOM 658 N LEU A 44 7.329 4.556 -1.317 1.00 0.00 N ATOM 659 CA LEU A 44 7.495 5.945 -0.818 1.00 0.00 C ATOM 660 C LEU A 44 6.869 6.972 -1.780 1.00 0.00 C ATOM 661 O LEU A 44 6.513 8.075 -1.370 1.00 0.00 O ATOM 662 CB LEU A 44 8.994 6.297 -0.581 1.00 0.00 C ATOM 663 CG LEU A 44 9.809 5.339 0.354 1.00 0.00 C ATOM 664 CD1 LEU A 44 11.192 5.930 0.692 1.00 0.00 C ATOM 665 CD2 LEU A 44 9.027 4.941 1.632 1.00 0.00 C ATOM 0 H LEU A 44 8.213 4.078 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 44 6.971 5.995 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.492 6.329 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.044 7.302 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 44 9.968 4.417 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.733 5.242 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.758 6.081 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.065 6.886 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.640 4.277 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.784 5.837 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.107 4.429 1.351 1.00 0.00 H new ATOM 677 N ARG A 45 6.770 6.599 -3.062 1.00 0.00 N ATOM 678 CA ARG A 45 6.159 7.443 -4.093 1.00 0.00 C ATOM 679 C ARG A 45 4.685 7.031 -4.327 1.00 0.00 C ATOM 680 O ARG A 45 3.812 7.895 -4.400 1.00 0.00 O ATOM 681 CB ARG A 45 6.984 7.341 -5.394 1.00 0.00 C ATOM 682 CG ARG A 45 6.633 8.405 -6.459 1.00 0.00 C ATOM 683 CD ARG A 45 7.479 8.259 -7.735 1.00 0.00 C ATOM 684 NE ARG A 45 7.256 6.956 -8.391 1.00 0.00 N ATOM 685 CZ ARG A 45 8.161 6.273 -9.092 1.00 0.00 C ATOM 686 NH1 ARG A 45 9.392 6.741 -9.269 1.00 0.00 N ATOM 687 NH2 ARG A 45 7.826 5.103 -9.602 1.00 0.00 N ATOM 0 H ARG A 45 7.111 5.704 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 45 6.160 8.481 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.042 7.428 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.838 6.351 -5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.577 8.324 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.783 9.399 -6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.233 9.063 -8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.535 8.365 -7.486 1.00 0.00 H new ATOM 0 HE ARG A 45 6.328 6.542 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.659 7.639 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.070 6.203 -9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.886 4.734 -9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.507 4.568 -10.141 1.00 0.00 H new ATOM 701 N ILE A 46 4.430 5.697 -4.402 1.00 0.00 N ATOM 702 CA ILE A 46 3.090 5.124 -4.721 1.00 0.00 C ATOM 703 C ILE A 46 2.020 5.589 -3.717 1.00 0.00 C ATOM 704 O ILE A 46 0.987 6.131 -4.117 1.00 0.00 O ATOM 705 CB ILE A 46 3.111 3.541 -4.749 1.00 0.00 C ATOM 706 CG1 ILE A 46 4.059 2.993 -5.855 1.00 0.00 C ATOM 707 CG2 ILE A 46 1.691 2.943 -4.937 1.00 0.00 C ATOM 708 CD1 ILE A 46 4.185 1.476 -5.876 1.00 0.00 C ATOM 0 H ILE A 46 5.146 4.988 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 46 2.836 5.492 -5.715 1.00 0.00 H new ATOM 0 HB ILE A 46 3.492 3.228 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.697 3.329 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.049 3.426 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.753 1.855 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.051 3.260 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.270 3.294 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.863 1.178 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.577 1.130 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.205 1.032 -6.048 1.00 0.00 H new ATOM 720 N GLU A 47 2.325 5.387 -2.419 1.00 0.00 N ATOM 721 CA GLU A 47 1.404 5.655 -1.292 1.00 0.00 C ATOM 722 C GLU A 47 0.812 7.071 -1.337 1.00 0.00 C ATOM 723 O GLU A 47 -0.352 7.255 -0.981 1.00 0.00 O ATOM 724 CB GLU A 47 2.134 5.454 0.052 1.00 0.00 C ATOM 725 CG GLU A 47 2.517 4.011 0.383 1.00 0.00 C ATOM 726 CD GLU A 47 1.309 3.112 0.658 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.761 3.180 1.779 1.00 0.00 O ATOM 728 OE2 GLU A 47 0.897 2.343 -0.234 1.00 0.00 O ATOM 0 H GLU A 47 3.231 5.028 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 47 0.581 4.947 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.040 6.060 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.499 5.836 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.089 3.595 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.170 4.007 1.255 1.00 0.00 H new ATOM 735 N ARG A 48 1.636 8.050 -1.777 1.00 0.00 N ATOM 736 CA ARG A 48 1.202 9.444 -1.973 1.00 0.00 C ATOM 737 C ARG A 48 0.007 9.486 -2.934 1.00 0.00 C ATOM 738 O ARG A 48 -1.076 9.919 -2.566 1.00 0.00 O ATOM 739 CB ARG A 48 2.352 10.295 -2.560 1.00 0.00 C ATOM 740 CG ARG A 48 1.993 11.782 -2.846 1.00 0.00 C ATOM 741 CD ARG A 48 2.998 12.455 -3.793 1.00 0.00 C ATOM 742 NE ARG A 48 3.069 11.744 -5.090 1.00 0.00 N ATOM 743 CZ ARG A 48 3.542 12.253 -6.229 1.00 0.00 C ATOM 744 NH1 ARG A 48 3.923 13.525 -6.318 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.604 11.482 -7.306 1.00 0.00 N ATOM 0 H ARG A 48 2.618 7.892 -2.004 1.00 0.00 H new ATOM 0 HA ARG A 48 0.914 9.853 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.194 10.267 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.688 9.833 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.995 11.835 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.959 12.332 -1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.707 13.492 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.984 12.471 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 48 2.727 10.783 -5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.857 14.135 -5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.281 13.890 -7.201 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.292 10.512 -7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.964 11.859 -8.183 1.00 0.00 H new ATOM 759 N ASP A 49 0.213 8.948 -4.142 1.00 0.00 N ATOM 760 CA ASP A 49 -0.783 9.001 -5.229 1.00 0.00 C ATOM 761 C ASP A 49 -2.048 8.222 -4.858 1.00 0.00 C ATOM 762 O ASP A 49 -3.155 8.619 -5.231 1.00 0.00 O ATOM 763 CB ASP A 49 -0.182 8.441 -6.542 1.00 0.00 C ATOM 764 CG ASP A 49 1.066 9.208 -7.002 1.00 0.00 C ATOM 765 OD1 ASP A 49 2.117 9.092 -6.344 1.00 0.00 O ATOM 766 OD2 ASP A 49 1.004 9.957 -8.004 1.00 0.00 O ATOM 0 H ASP A 49 1.073 8.463 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.056 10.045 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.075 7.391 -6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.937 8.481 -7.327 1.00 0.00 H new ATOM 771 N GLU A 50 -1.855 7.126 -4.099 1.00 0.00 N ATOM 772 CA GLU A 50 -2.944 6.254 -3.644 1.00 0.00 C ATOM 773 C GLU A 50 -3.864 6.969 -2.646 1.00 0.00 C ATOM 774 O GLU A 50 -5.080 6.842 -2.733 1.00 0.00 O ATOM 775 CB GLU A 50 -2.389 4.946 -3.030 1.00 0.00 C ATOM 776 CG GLU A 50 -1.566 4.085 -4.007 1.00 0.00 C ATOM 777 CD GLU A 50 -2.287 3.779 -5.336 1.00 0.00 C ATOM 778 OE1 GLU A 50 -3.199 2.924 -5.348 1.00 0.00 O ATOM 779 OE2 GLU A 50 -1.948 4.392 -6.375 1.00 0.00 O ATOM 0 H GLU A 50 -0.933 6.823 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.540 5.998 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.765 5.197 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.223 4.352 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.628 4.596 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.311 3.144 -3.519 1.00 0.00 H new ATOM 786 N ARG A 51 -3.278 7.736 -1.716 1.00 0.00 N ATOM 787 CA ARG A 51 -4.046 8.453 -0.680 1.00 0.00 C ATOM 788 C ARG A 51 -4.733 9.720 -1.249 1.00 0.00 C ATOM 789 O ARG A 51 -5.712 10.196 -0.660 1.00 0.00 O ATOM 790 CB ARG A 51 -3.170 8.727 0.575 1.00 0.00 C ATOM 791 CG ARG A 51 -1.921 9.598 0.351 1.00 0.00 C ATOM 792 CD ARG A 51 -0.974 9.593 1.562 1.00 0.00 C ATOM 793 NE ARG A 51 -1.656 10.055 2.781 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.462 9.570 4.013 1.00 0.00 C ATOM 795 NH1 ARG A 51 -0.546 8.634 4.245 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.197 10.024 5.003 1.00 0.00 N ATOM 0 H ARG A 51 -2.270 7.878 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.859 7.808 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.793 9.207 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.851 7.769 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.384 9.239 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.229 10.622 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.588 8.586 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.117 10.235 1.358 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.335 10.809 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.022 8.275 3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.411 8.275 5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.905 10.737 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.060 9.663 5.947 1.00 0.00 H new ATOM 810 N LEU A 52 -4.208 10.276 -2.375 1.00 0.00 N ATOM 811 CA LEU A 52 -4.945 11.297 -3.169 1.00 0.00 C ATOM 812 C LEU A 52 -6.210 10.666 -3.798 1.00 0.00 C ATOM 813 O LEU A 52 -7.334 11.124 -3.555 1.00 0.00 O ATOM 814 CB LEU A 52 -4.070 11.946 -4.305 1.00 0.00 C ATOM 815 CG LEU A 52 -3.154 13.154 -3.904 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.891 12.710 -3.176 1.00 0.00 C ATOM 817 CD2 LEU A 52 -2.809 14.040 -5.125 1.00 0.00 C ATOM 0 H LEU A 52 -3.289 10.038 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.217 12.092 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.436 11.167 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.739 12.279 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.731 13.758 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.292 13.584 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.164 12.179 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.312 12.049 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.173 14.866 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.283 13.443 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.727 14.435 -5.559 1.00 0.00 H new ATOM 829 N ARG A 53 -5.997 9.593 -4.586 1.00 0.00 N ATOM 830 CA ARG A 53 -7.051 8.978 -5.427 1.00 0.00 C ATOM 831 C ARG A 53 -8.081 8.204 -4.589 1.00 0.00 C ATOM 832 O ARG A 53 -9.177 7.940 -5.062 1.00 0.00 O ATOM 833 CB ARG A 53 -6.413 8.056 -6.506 1.00 0.00 C ATOM 834 CG ARG A 53 -5.802 6.743 -5.965 1.00 0.00 C ATOM 835 CD ARG A 53 -4.848 6.048 -6.951 1.00 0.00 C ATOM 836 NE ARG A 53 -5.498 5.601 -8.192 1.00 0.00 N ATOM 837 CZ ARG A 53 -5.022 4.640 -9.004 1.00 0.00 C ATOM 838 NH1 ARG A 53 -3.939 3.935 -8.673 1.00 0.00 N ATOM 839 NH2 ARG A 53 -5.657 4.376 -10.135 1.00 0.00 N ATOM 0 H ARG A 53 -5.093 9.127 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.586 9.787 -5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.174 7.807 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.634 8.615 -7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.262 6.958 -5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.609 6.056 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.038 6.733 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.396 5.187 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.374 6.053 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.459 4.121 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.591 3.210 -9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.497 4.899 -10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.306 3.650 -10.759 1.00 0.00 H new ATOM 853 N ALA A 54 -7.702 7.824 -3.352 1.00 0.00 N ATOM 854 CA ALA A 54 -8.612 7.158 -2.396 1.00 0.00 C ATOM 855 C ALA A 54 -9.682 8.143 -1.888 1.00 0.00 C ATOM 856 O ALA A 54 -10.800 7.747 -1.558 1.00 0.00 O ATOM 857 CB ALA A 54 -7.822 6.570 -1.214 1.00 0.00 C ATOM 0 H ALA A 54 -6.760 7.969 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.113 6.342 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.510 6.084 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.104 5.839 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.292 7.370 -0.697 1.00 0.00 H new ATOM 863 N CYS A 55 -9.318 9.434 -1.850 1.00 0.00 N ATOM 864 CA CYS A 55 -10.201 10.520 -1.389 1.00 0.00 C ATOM 865 C CYS A 55 -10.875 11.235 -2.581 1.00 0.00 C ATOM 866 O CYS A 55 -11.278 12.394 -2.467 1.00 0.00 O ATOM 867 CB CYS A 55 -9.369 11.500 -0.534 1.00 0.00 C ATOM 868 SG CYS A 55 -8.565 10.701 0.868 1.00 0.00 S ATOM 0 H CYS A 55 -8.395 9.758 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.005 10.107 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.611 11.969 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.018 12.296 -0.169 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.958 11.597 1.588 1.00 0.00 H new ATOM 874 N ASP A 56 -11.030 10.521 -3.716 1.00 0.00 N ATOM 875 CA ASP A 56 -11.706 11.059 -4.927 1.00 0.00 C ATOM 876 C ASP A 56 -13.206 11.313 -4.660 1.00 0.00 C ATOM 877 O ASP A 56 -13.810 12.214 -5.256 1.00 0.00 O ATOM 878 CB ASP A 56 -11.535 10.084 -6.123 1.00 0.00 C ATOM 879 CG ASP A 56 -12.397 8.806 -6.008 1.00 0.00 C ATOM 880 OD1 ASP A 56 -12.007 7.879 -5.279 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.481 8.737 -6.635 1.00 0.00 O ATOM 0 H ASP A 56 -10.695 9.564 -3.824 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.237 12.011 -5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.793 10.605 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.486 9.799 -6.201 1.00 0.00 H new ATOM 886 N TRP A 57 -13.778 10.499 -3.749 1.00 0.00 N ATOM 887 CA TRP A 57 -15.198 10.558 -3.370 1.00 0.00 C ATOM 888 C TRP A 57 -15.547 11.914 -2.714 1.00 0.00 C ATOM 889 O TRP A 57 -16.678 12.376 -2.824 1.00 0.00 O ATOM 890 CB TRP A 57 -15.564 9.372 -2.425 1.00 0.00 C ATOM 891 CG TRP A 57 -14.893 9.429 -1.058 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.589 9.142 -0.767 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.491 9.819 0.190 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.344 9.346 0.562 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.489 9.748 1.175 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.767 10.228 0.567 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -14.726 10.065 2.513 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.002 10.541 1.892 1.00 0.00 C ATOM 899 CH2 TRP A 57 -15.988 10.462 2.851 1.00 0.00 C ATOM 0 H TRP A 57 -13.258 9.776 -3.252 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.793 10.468 -4.279 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.645 9.354 -2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.290 8.436 -2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.857 8.803 -1.485 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.443 9.217 1.022 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.559 10.299 -0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.942 9.999 3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -17.991 10.854 2.193 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.207 10.719 3.877 1.00 0.00 H new ATOM 910 N THR A 58 -14.565 12.546 -2.039 1.00 0.00 N ATOM 911 CA THR A 58 -14.746 13.875 -1.426 1.00 0.00 C ATOM 912 C THR A 58 -14.556 14.986 -2.467 1.00 0.00 C ATOM 913 O THR A 58 -15.164 16.048 -2.357 1.00 0.00 O ATOM 914 CB THR A 58 -13.765 14.116 -0.239 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.407 13.993 -0.675 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.018 13.137 0.893 1.00 0.00 C ATOM 0 H THR A 58 -13.633 12.153 -1.905 1.00 0.00 H new ATOM 0 HA THR A 58 -15.765 13.901 -1.039 1.00 0.00 H new ATOM 0 HB THR A 58 -13.939 15.128 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.370 13.424 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.318 13.331 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.038 13.257 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.880 12.118 0.531 1.00 0.00 H new ATOM 924 N GLN A 59 -13.694 14.723 -3.471 1.00 0.00 N ATOM 925 CA GLN A 59 -13.357 15.704 -4.528 1.00 0.00 C ATOM 926 C GLN A 59 -14.470 15.813 -5.592 1.00 0.00 C ATOM 927 O GLN A 59 -14.551 16.819 -6.307 1.00 0.00 O ATOM 928 CB GLN A 59 -11.991 15.346 -5.192 1.00 0.00 C ATOM 929 CG GLN A 59 -10.793 15.248 -4.212 1.00 0.00 C ATOM 930 CD GLN A 59 -10.661 16.447 -3.263 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.066 17.464 -3.608 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.198 16.323 -2.053 1.00 0.00 N ATOM 0 H GLN A 59 -13.213 13.829 -3.573 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.270 16.680 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.095 14.394 -5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.763 16.098 -5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.895 14.339 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.873 15.151 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.686 15.465 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.122 17.086 -1.381 1.00 0.00 H new ATOM 941 N VAL A 60 -15.321 14.776 -5.692 1.00 0.00 N ATOM 942 CA VAL A 60 -16.483 14.780 -6.601 1.00 0.00 C ATOM 943 C VAL A 60 -17.702 15.435 -5.907 1.00 0.00 C ATOM 944 O VAL A 60 -17.799 15.454 -4.670 1.00 0.00 O ATOM 945 CB VAL A 60 -16.830 13.318 -7.104 1.00 0.00 C ATOM 946 CG1 VAL A 60 -17.266 12.400 -5.940 1.00 0.00 C ATOM 947 CG2 VAL A 60 -17.888 13.319 -8.241 1.00 0.00 C ATOM 0 H VAL A 60 -15.225 13.917 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.226 15.371 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.910 12.911 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.495 11.407 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.459 12.329 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.152 12.816 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.091 12.294 -8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -18.809 13.778 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.508 13.886 -9.091 1.00 0.00 H new ATOM 957 N GLN A 61 -18.613 15.970 -6.732 1.00 0.00 N ATOM 958 CA GLN A 61 -19.874 16.607 -6.302 1.00 0.00 C ATOM 959 C GLN A 61 -20.919 15.586 -5.775 1.00 0.00 C ATOM 960 O GLN A 61 -22.016 15.981 -5.367 1.00 0.00 O ATOM 961 CB GLN A 61 -20.465 17.392 -7.507 1.00 0.00 C ATOM 962 CG GLN A 61 -20.762 16.522 -8.753 1.00 0.00 C ATOM 963 CD GLN A 61 -21.345 17.308 -9.931 1.00 0.00 C ATOM 964 OE1 GLN A 61 -22.565 17.454 -10.056 1.00 0.00 O ATOM 965 NE2 GLN A 61 -20.480 17.821 -10.793 1.00 0.00 N ATOM 0 H GLN A 61 -18.494 15.974 -7.745 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.646 17.275 -5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.387 17.879 -7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.768 18.181 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.840 16.036 -9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.459 15.732 -8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.479 17.679 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.815 18.358 -11.593 1.00 0.00 H new ATOM 974 N ASP A 62 -20.576 14.287 -5.794 1.00 0.00 N ATOM 975 CA ASP A 62 -21.494 13.199 -5.408 1.00 0.00 C ATOM 976 C ASP A 62 -21.805 13.210 -3.895 1.00 0.00 C ATOM 977 O ASP A 62 -22.974 13.099 -3.492 1.00 0.00 O ATOM 978 CB ASP A 62 -20.893 11.836 -5.834 1.00 0.00 C ATOM 979 CG ASP A 62 -21.777 10.637 -5.463 1.00 0.00 C ATOM 980 OD1 ASP A 62 -22.924 10.567 -5.945 1.00 0.00 O ATOM 981 OD2 ASP A 62 -21.344 9.772 -4.666 1.00 0.00 O ATOM 0 H ASP A 62 -19.653 13.960 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.440 13.357 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.732 11.839 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.916 11.716 -5.366 1.00 0.00 H new ATOM 986 N VAL A 63 -20.753 13.349 -3.069 1.00 0.00 N ATOM 987 CA VAL A 63 -20.873 13.275 -1.598 1.00 0.00 C ATOM 988 C VAL A 63 -21.534 14.550 -1.016 1.00 0.00 C ATOM 989 O VAL A 63 -21.400 15.648 -1.577 1.00 0.00 O ATOM 990 CB VAL A 63 -19.477 13.026 -0.918 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.523 14.235 -1.085 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.638 12.634 0.570 1.00 0.00 C ATOM 0 H VAL A 63 -19.801 13.515 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.518 12.425 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.016 12.185 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.572 14.017 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.355 14.422 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.970 15.117 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.655 12.469 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.146 13.437 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.227 11.720 0.644 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.260 14.378 0.104 1.00 0.00 N ATOM 1003 CA VAL A 64 -22.944 15.464 0.820 1.00 0.00 C ATOM 1004 C VAL A 64 -22.136 15.799 2.087 1.00 0.00 C ATOM 1005 O VAL A 64 -22.354 15.219 3.153 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.432 15.077 1.198 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.176 16.259 1.877 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.213 14.575 -0.048 1.00 0.00 C ATOM 0 H VAL A 64 -22.388 13.466 0.541 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.001 16.335 0.167 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.382 14.261 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.194 15.956 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.652 16.542 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.205 17.110 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.232 14.316 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.238 15.361 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.717 13.695 -0.458 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.135 16.669 1.927 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.308 17.182 3.039 1.00 0.00 C ATOM 1020 C LEU A 65 -20.528 18.695 3.181 1.00 0.00 C ATOM 1021 O LEU A 65 -20.939 19.351 2.223 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.806 16.886 2.773 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.412 15.383 2.641 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -16.920 15.214 2.283 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -18.773 14.592 3.919 1.00 0.00 C ATOM 0 H LEU A 65 -20.868 17.044 1.017 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.601 16.684 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.513 17.398 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.222 17.323 3.583 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.994 14.968 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -16.684 14.153 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -16.716 15.707 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.305 15.662 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.485 13.548 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.242 15.015 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.847 14.654 4.094 1.00 0.00 H new ATOM 1037 N THR A 66 -20.277 19.240 4.381 1.00 0.00 N ATOM 1038 CA THR A 66 -20.201 20.696 4.581 1.00 0.00 C ATOM 1039 C THR A 66 -18.850 21.202 4.037 1.00 0.00 C ATOM 1040 O THR A 66 -17.938 20.393 3.811 1.00 0.00 O ATOM 1041 CB THR A 66 -20.344 21.074 6.089 1.00 0.00 C ATOM 1042 OG1 THR A 66 -19.283 20.463 6.837 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.698 20.629 6.676 1.00 0.00 C ATOM 0 H THR A 66 -20.123 18.694 5.229 1.00 0.00 H new ATOM 0 HA THR A 66 -21.025 21.167 4.045 1.00 0.00 H new ATOM 0 HB THR A 66 -20.290 22.160 6.161 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.457 19.503 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.750 20.914 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.508 21.111 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.795 19.547 6.588 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.723 22.523 3.821 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.473 23.126 3.309 1.00 0.00 C ATOM 1053 C ALA A 67 -16.279 22.811 4.247 1.00 0.00 C ATOM 1054 O ALA A 67 -15.213 22.429 3.780 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.644 24.638 3.110 1.00 0.00 C ATOM 0 H ALA A 67 -19.470 23.197 3.992 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.252 22.683 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.714 25.063 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.444 24.822 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.896 25.104 4.063 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.517 22.950 5.571 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.550 22.576 6.644 1.00 0.00 C ATOM 1063 C ASP A 68 -14.972 21.155 6.458 1.00 0.00 C ATOM 1064 O ASP A 68 -13.770 20.953 6.605 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.236 22.652 8.028 1.00 0.00 C ATOM 1066 CG ASP A 68 -16.696 24.064 8.394 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -17.819 24.456 8.005 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -15.935 24.798 9.064 1.00 0.00 O ATOM 0 H ASP A 68 -17.392 23.328 5.934 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.726 23.287 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.096 21.982 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.544 22.293 8.790 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.854 20.202 6.130 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.471 18.792 5.908 1.00 0.00 C ATOM 1075 C GLN A 69 -14.691 18.641 4.584 1.00 0.00 C ATOM 1076 O GLN A 69 -13.513 18.284 4.576 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.733 17.877 5.900 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.423 17.752 7.265 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.683 16.881 7.234 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -19.836 17.504 7.042 1.00 0.00 O flip ATOM 1081 NE2 GLN A 69 -18.619 15.662 7.396 1.00 0.00 N flip ATOM 0 H GLN A 69 -16.851 20.381 6.010 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.823 18.482 6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.449 18.269 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.446 16.883 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.718 17.332 7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.687 18.747 7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.714 15.214 7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -19.471 15.101 7.385 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.355 19.041 3.496 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.968 18.753 2.102 1.00 0.00 C ATOM 1092 C LYS A 70 -13.663 19.473 1.703 1.00 0.00 C ATOM 1093 O LYS A 70 -12.906 18.982 0.856 1.00 0.00 O ATOM 1094 CB LYS A 70 -16.156 19.153 1.175 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.266 18.354 -0.141 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.615 18.617 -0.849 1.00 0.00 C ATOM 1097 CE LYS A 70 -17.891 17.676 -2.032 1.00 0.00 C ATOM 1098 NZ LYS A 70 -16.998 17.933 -3.189 1.00 0.00 N ATOM 0 H LYS A 70 -16.209 19.595 3.558 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.761 17.688 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.085 19.034 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.064 20.211 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.446 18.628 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.165 17.289 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.421 18.517 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.633 19.647 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.768 16.643 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.928 17.789 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.480 17.657 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.762 18.945 -3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.125 17.377 -3.084 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.392 20.608 2.376 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.238 21.477 2.060 1.00 0.00 C ATOM 1114 C ALA A 71 -10.983 20.907 2.726 1.00 0.00 C ATOM 1115 O ALA A 71 -9.945 20.823 2.105 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.477 22.923 2.529 1.00 0.00 C ATOM 0 H ALA A 71 -13.962 20.948 3.150 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.107 21.500 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.609 23.534 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.359 23.326 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.632 22.935 3.608 1.00 0.00 H new ATOM 1122 N THR A 72 -11.111 20.579 4.029 1.00 0.00 N ATOM 1123 CA THR A 72 -10.059 19.861 4.798 1.00 0.00 C ATOM 1124 C THR A 72 -9.561 18.587 4.045 1.00 0.00 C ATOM 1125 O THR A 72 -8.374 18.249 4.108 1.00 0.00 O ATOM 1126 CB THR A 72 -10.538 19.479 6.239 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.145 20.613 6.854 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.371 19.020 7.134 1.00 0.00 C ATOM 0 H THR A 72 -11.940 20.801 4.580 1.00 0.00 H new ATOM 0 HA THR A 72 -9.224 20.555 4.893 1.00 0.00 H new ATOM 0 HB THR A 72 -11.246 18.656 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.051 20.732 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.750 18.765 8.124 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.895 18.145 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.641 19.825 7.221 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.480 17.916 3.313 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.151 16.776 2.420 1.00 0.00 C ATOM 1138 C TRP A 73 -9.387 17.232 1.150 1.00 0.00 C ATOM 1139 O TRP A 73 -8.449 16.560 0.706 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.440 16.020 2.010 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.023 15.134 3.092 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.130 15.363 3.862 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.526 13.849 3.488 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.346 14.307 4.705 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.375 13.365 4.499 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.441 13.063 3.085 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.181 12.127 5.102 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.250 11.839 3.690 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.113 11.382 4.692 1.00 0.00 C ATOM 0 H TRP A 73 -11.473 18.149 3.324 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.498 16.108 2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.193 16.749 1.711 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.223 15.408 1.135 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.745 16.249 3.812 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.108 14.234 5.379 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.767 13.408 2.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.852 11.767 5.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.418 11.221 3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.931 10.421 5.150 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.822 18.360 0.561 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.213 18.927 -0.666 1.00 0.00 C ATOM 1162 C ALA A 74 -7.806 19.502 -0.388 1.00 0.00 C ATOM 1163 O ALA A 74 -6.930 19.480 -1.260 1.00 0.00 O ATOM 1164 CB ALA A 74 -10.143 19.999 -1.250 1.00 0.00 C ATOM 0 H ALA A 74 -10.605 18.908 0.918 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.089 18.126 -1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.696 20.416 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.106 19.551 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.289 20.792 -0.517 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.613 19.993 0.848 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.342 20.554 1.334 1.00 0.00 C ATOM 1172 C LYS A 75 -5.390 19.423 1.717 1.00 0.00 C ATOM 1173 O LYS A 75 -4.184 19.558 1.568 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.574 21.458 2.565 1.00 0.00 C ATOM 1175 CG LYS A 75 -7.399 22.726 2.293 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.640 23.562 3.569 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.331 24.001 4.264 1.00 0.00 C ATOM 1178 NZ LYS A 75 -6.576 24.962 5.368 1.00 0.00 N ATOM 0 H LYS A 75 -8.352 20.011 1.551 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.907 21.152 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.076 20.874 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.605 21.753 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.884 23.339 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.359 22.445 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.222 24.447 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.239 22.980 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.818 23.123 4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.667 24.456 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.670 25.228 5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.042 25.812 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.188 24.520 6.083 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.971 18.326 2.247 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.254 17.064 2.518 1.00 0.00 C ATOM 1194 C TYR A 76 -4.574 16.570 1.232 1.00 0.00 C ATOM 1195 O TYR A 76 -3.376 16.281 1.225 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.261 16.013 3.079 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.797 14.549 3.056 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.699 14.124 3.801 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.459 13.592 2.272 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.292 12.807 3.775 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.051 12.276 2.254 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.966 11.892 3.003 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.562 10.579 2.996 1.00 0.00 O ATOM 0 H TYR A 76 -6.958 18.292 2.500 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.476 17.223 3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.498 16.281 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.187 16.088 2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.159 14.836 4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.305 13.893 1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.442 12.494 4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.581 11.551 1.654 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.267 10.022 2.604 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.361 16.554 0.144 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.915 16.099 -1.179 1.00 0.00 C ATOM 1215 C ARG A 77 -3.794 17.018 -1.719 1.00 0.00 C ATOM 1216 O ARG A 77 -2.733 16.545 -2.148 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.123 16.086 -2.152 1.00 0.00 C ATOM 1218 CG ARG A 77 -5.791 15.615 -3.583 1.00 0.00 C ATOM 1219 CD ARG A 77 -6.973 15.746 -4.546 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.466 17.135 -4.620 1.00 0.00 N ATOM 1221 CZ ARG A 77 -7.153 18.040 -5.558 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -6.312 17.753 -6.544 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -7.698 19.248 -5.487 1.00 0.00 N ATOM 0 H ARG A 77 -6.334 16.860 0.160 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.512 15.090 -1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.897 15.438 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.543 17.091 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.952 16.197 -3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.469 14.574 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.672 15.414 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.781 15.090 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.107 17.436 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.888 16.827 -6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.089 18.459 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.342 19.473 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.473 19.951 -6.191 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.056 18.343 -1.685 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.136 19.384 -2.189 1.00 0.00 C ATOM 1239 C GLN A 78 -1.812 19.450 -1.393 1.00 0.00 C ATOM 1240 O GLN A 78 -0.754 19.762 -1.956 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.862 20.764 -2.143 1.00 0.00 C ATOM 1242 CG GLN A 78 -3.202 21.882 -2.984 1.00 0.00 C ATOM 1243 CD GLN A 78 -3.222 21.622 -4.504 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -2.312 22.019 -5.227 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -4.271 20.974 -5.004 1.00 0.00 N ATOM 0 H GLN A 78 -4.922 18.723 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.868 19.126 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.887 20.629 -2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.915 21.095 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.712 22.824 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.168 22.003 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.015 20.653 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.331 20.798 -6.007 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.876 19.152 -0.088 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.702 19.219 0.808 1.00 0.00 C ATOM 1256 C ALA A 79 0.272 18.055 0.539 1.00 0.00 C ATOM 1257 O ALA A 79 1.485 18.193 0.708 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.159 19.234 2.269 1.00 0.00 C ATOM 0 H ALA A 79 -2.734 18.859 0.379 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.163 20.144 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.288 19.283 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.793 20.103 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.722 18.326 2.483 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.286 16.918 0.107 1.00 0.00 N ATOM 1265 CA LEU A 80 0.481 15.728 -0.318 1.00 0.00 C ATOM 1266 C LEU A 80 1.299 16.010 -1.599 1.00 0.00 C ATOM 1267 O LEU A 80 2.371 15.427 -1.809 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.510 14.573 -0.553 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.205 14.006 0.727 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.497 13.239 0.400 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.235 13.108 1.503 1.00 0.00 C ATOM 0 H LEU A 80 -1.296 16.791 0.040 1.00 0.00 H new ATOM 0 HA LEU A 80 1.193 15.461 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.282 14.916 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.020 13.759 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.485 14.858 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.942 12.865 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.200 13.907 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.266 12.401 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.731 12.719 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.078 12.278 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.639 13.688 1.799 1.00 0.00 H new ATOM 1283 N ARG A 81 0.757 16.907 -2.445 1.00 0.00 N ATOM 1284 CA ARG A 81 1.405 17.377 -3.692 1.00 0.00 C ATOM 1285 C ARG A 81 2.696 18.178 -3.398 1.00 0.00 C ATOM 1286 O ARG A 81 3.639 18.174 -4.205 1.00 0.00 O ATOM 1287 CB ARG A 81 0.390 18.243 -4.488 1.00 0.00 C ATOM 1288 CG ARG A 81 0.929 18.909 -5.778 1.00 0.00 C ATOM 1289 CD ARG A 81 -0.121 19.804 -6.458 1.00 0.00 C ATOM 1290 NE ARG A 81 0.425 20.548 -7.606 1.00 0.00 N ATOM 1291 CZ ARG A 81 -0.237 21.491 -8.307 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -1.490 21.833 -7.990 1.00 0.00 N ATOM 1293 NH2 ARG A 81 0.365 22.095 -9.311 1.00 0.00 N ATOM 0 H ARG A 81 -0.155 17.333 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 81 1.698 16.511 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.461 17.616 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.015 19.026 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.809 19.505 -5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.250 18.136 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.956 19.188 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.518 20.510 -5.729 1.00 0.00 H new ATOM 0 HE ARG A 81 1.380 20.333 -7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.960 21.379 -7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.976 22.548 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.325 21.848 -9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.129 22.809 -9.846 1.00 0.00 H new ATOM 1307 N ASP A 82 2.725 18.851 -2.227 1.00 0.00 N ATOM 1308 CA ASP A 82 3.857 19.705 -1.801 1.00 0.00 C ATOM 1309 C ASP A 82 5.146 18.886 -1.578 1.00 0.00 C ATOM 1310 O ASP A 82 6.250 19.401 -1.806 1.00 0.00 O ATOM 1311 CB ASP A 82 3.491 20.496 -0.512 1.00 0.00 C ATOM 1312 CG ASP A 82 4.644 21.384 0.013 1.00 0.00 C ATOM 1313 OD1 ASP A 82 4.932 22.433 -0.604 1.00 0.00 O ATOM 1314 OD2 ASP A 82 5.273 21.035 1.037 1.00 0.00 O ATOM 0 H ASP A 82 1.963 18.818 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 82 4.051 20.411 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.623 21.123 -0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.201 19.791 0.268 1.00 0.00 H new ATOM 1319 N LEU A 83 5.009 17.614 -1.147 1.00 0.00 N ATOM 1320 CA LEU A 83 6.178 16.744 -0.887 1.00 0.00 C ATOM 1321 C LEU A 83 6.879 16.341 -2.213 1.00 0.00 C ATOM 1322 O LEU A 83 6.212 15.827 -3.121 1.00 0.00 O ATOM 1323 CB LEU A 83 5.790 15.467 -0.081 1.00 0.00 C ATOM 1324 CG LEU A 83 5.454 15.683 1.433 1.00 0.00 C ATOM 1325 CD1 LEU A 83 4.044 16.282 1.642 1.00 0.00 C ATOM 1326 CD2 LEU A 83 5.648 14.371 2.233 1.00 0.00 C ATOM 0 H LEU A 83 4.108 17.168 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 83 6.873 17.325 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.927 15.007 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.611 14.754 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 83 6.158 16.419 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.859 16.413 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.981 17.248 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.297 15.608 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.409 14.546 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.988 13.601 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.684 14.042 2.147 1.00 0.00 H new ATOM 1338 N PRO A 84 8.228 16.603 -2.355 1.00 0.00 N ATOM 1339 CA PRO A 84 9.007 16.164 -3.534 1.00 0.00 C ATOM 1340 C PRO A 84 9.221 14.628 -3.544 1.00 0.00 C ATOM 1341 O PRO A 84 9.628 14.041 -2.533 1.00 0.00 O ATOM 1342 CB PRO A 84 10.350 16.939 -3.403 1.00 0.00 C ATOM 1343 CG PRO A 84 10.497 17.183 -1.926 1.00 0.00 C ATOM 1344 CD PRO A 84 9.082 17.367 -1.395 1.00 0.00 C ATOM 0 HA PRO A 84 8.497 16.374 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.184 16.357 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.325 17.876 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.992 16.343 -1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.105 18.067 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.984 16.981 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.802 18.420 -1.364 1.00 0.00 H new ATOM 1352 N GLU A 85 8.930 14.005 -4.702 1.00 0.00 N ATOM 1353 CA GLU A 85 9.101 12.556 -4.941 1.00 0.00 C ATOM 1354 C GLU A 85 10.586 12.170 -4.836 1.00 0.00 C ATOM 1355 O GLU A 85 10.959 11.225 -4.132 1.00 0.00 O ATOM 1356 CB GLU A 85 8.565 12.210 -6.355 1.00 0.00 C ATOM 1357 CG GLU A 85 7.067 12.519 -6.557 1.00 0.00 C ATOM 1358 CD GLU A 85 6.595 12.442 -8.021 1.00 0.00 C ATOM 1359 OE1 GLU A 85 6.775 11.387 -8.659 1.00 0.00 O ATOM 1360 OE2 GLU A 85 6.022 13.430 -8.540 1.00 0.00 O ATOM 0 H GLU A 85 8.563 14.502 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 85 8.544 11.997 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.142 12.764 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.735 11.150 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.480 11.820 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.859 13.518 -6.173 1.00 0.00 H new ATOM 1367 N THR A 86 11.412 12.949 -5.554 1.00 0.00 N ATOM 1368 CA THR A 86 12.862 12.781 -5.595 1.00 0.00 C ATOM 1369 C THR A 86 13.499 13.504 -4.388 1.00 0.00 C ATOM 1370 O THR A 86 14.009 14.627 -4.506 1.00 0.00 O ATOM 1371 CB THR A 86 13.420 13.319 -6.960 1.00 0.00 C ATOM 1372 OG1 THR A 86 13.025 14.692 -7.158 1.00 0.00 O ATOM 1373 CG2 THR A 86 12.911 12.480 -8.151 1.00 0.00 C ATOM 0 H THR A 86 11.079 13.723 -6.129 1.00 0.00 H new ATOM 0 HA THR A 86 13.119 11.724 -5.527 1.00 0.00 H new ATOM 0 HB THR A 86 14.507 13.245 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.111 15.182 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.318 12.882 -9.079 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.233 11.446 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.822 12.519 -8.185 1.00 0.00 H new ATOM 1381 N VAL A 87 13.391 12.866 -3.206 1.00 0.00 N ATOM 1382 CA VAL A 87 13.895 13.430 -1.940 1.00 0.00 C ATOM 1383 C VAL A 87 15.445 13.327 -1.890 1.00 0.00 C ATOM 1384 O VAL A 87 16.022 12.249 -1.731 1.00 0.00 O ATOM 1385 CB VAL A 87 13.187 12.774 -0.672 1.00 0.00 C ATOM 1386 CG1 VAL A 87 13.363 11.231 -0.617 1.00 0.00 C ATOM 1387 CG2 VAL A 87 13.649 13.453 0.655 1.00 0.00 C ATOM 0 H VAL A 87 12.954 11.950 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 87 13.635 14.488 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 87 12.118 12.957 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.860 10.839 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.928 10.783 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.424 10.987 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.147 12.981 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.728 13.340 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.396 14.513 0.629 1.00 0.00 H new ATOM 1397 N THR A 88 16.103 14.482 -2.107 1.00 0.00 N ATOM 1398 CA THR A 88 17.573 14.605 -2.151 1.00 0.00 C ATOM 1399 C THR A 88 18.189 14.347 -0.762 1.00 0.00 C ATOM 1400 O THR A 88 19.247 13.714 -0.639 1.00 0.00 O ATOM 1401 CB THR A 88 17.970 16.032 -2.664 1.00 0.00 C ATOM 1402 OG1 THR A 88 17.269 16.303 -3.894 1.00 0.00 O ATOM 1403 CG2 THR A 88 19.487 16.180 -2.894 1.00 0.00 C ATOM 0 H THR A 88 15.622 15.368 -2.259 1.00 0.00 H new ATOM 0 HA THR A 88 17.963 13.854 -2.838 1.00 0.00 H new ATOM 0 HB THR A 88 17.690 16.748 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 88 17.512 17.195 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 88 19.705 17.187 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 88 20.016 16.003 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 88 19.815 15.455 -3.639 1.00 0.00 H new ATOM 1411 N ASP A 89 17.494 14.836 0.271 1.00 0.00 N ATOM 1412 CA ASP A 89 17.899 14.667 1.673 1.00 0.00 C ATOM 1413 C ASP A 89 17.536 13.263 2.166 1.00 0.00 C ATOM 1414 O ASP A 89 16.621 12.623 1.633 1.00 0.00 O ATOM 1415 CB ASP A 89 17.214 15.741 2.560 1.00 0.00 C ATOM 1416 CG ASP A 89 17.617 17.168 2.167 1.00 0.00 C ATOM 1417 OD1 ASP A 89 16.955 17.767 1.292 1.00 0.00 O ATOM 1418 OD2 ASP A 89 18.613 17.691 2.714 1.00 0.00 O ATOM 0 H ASP A 89 16.629 15.364 0.158 1.00 0.00 H new ATOM 0 HA ASP A 89 18.980 14.791 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 89 16.132 15.637 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.476 15.567 3.604 1.00 0.00 H new ATOM 1423 N LEU A 90 18.270 12.786 3.177 1.00 0.00 N ATOM 1424 CA LEU A 90 17.991 11.503 3.831 1.00 0.00 C ATOM 1425 C LEU A 90 16.861 11.722 4.849 1.00 0.00 C ATOM 1426 O LEU A 90 17.107 11.976 6.037 1.00 0.00 O ATOM 1427 CB LEU A 90 19.285 10.931 4.488 1.00 0.00 C ATOM 1428 CG LEU A 90 19.184 9.485 5.078 1.00 0.00 C ATOM 1429 CD1 LEU A 90 18.712 8.471 4.011 1.00 0.00 C ATOM 1430 CD2 LEU A 90 20.527 9.044 5.711 1.00 0.00 C ATOM 0 H LEU A 90 19.074 13.279 3.565 1.00 0.00 H new ATOM 0 HA LEU A 90 17.666 10.760 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 90 20.080 10.941 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 90 19.589 11.606 5.288 1.00 0.00 H new ATOM 0 HG LEU A 90 18.433 9.505 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.653 7.477 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.729 8.763 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.421 8.457 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 90 20.426 8.036 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 90 21.309 9.056 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 90 20.793 9.730 6.515 1.00 0.00 H new ATOM 1442 N SER A 91 15.623 11.706 4.339 1.00 0.00 N ATOM 1443 CA SER A 91 14.409 12.014 5.112 1.00 0.00 C ATOM 1444 C SER A 91 13.298 11.011 4.762 1.00 0.00 C ATOM 1445 O SER A 91 13.195 10.566 3.609 1.00 0.00 O ATOM 1446 CB SER A 91 13.936 13.458 4.806 1.00 0.00 C ATOM 1447 OG SER A 91 14.953 14.410 5.087 1.00 0.00 O ATOM 0 H SER A 91 15.432 11.476 3.364 1.00 0.00 H new ATOM 0 HA SER A 91 14.636 11.936 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.646 13.533 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.050 13.685 5.399 1.00 0.00 H new ATOM 0 HG SER A 91 14.624 15.310 4.882 1.00 0.00 H new ATOM 1453 N GLN A 92 12.471 10.663 5.763 1.00 0.00 N ATOM 1454 CA GLN A 92 11.314 9.768 5.593 1.00 0.00 C ATOM 1455 C GLN A 92 10.103 10.565 5.082 1.00 0.00 C ATOM 1456 O GLN A 92 9.992 11.774 5.338 1.00 0.00 O ATOM 1457 CB GLN A 92 10.986 9.065 6.938 1.00 0.00 C ATOM 1458 CG GLN A 92 12.132 8.183 7.479 1.00 0.00 C ATOM 1459 CD GLN A 92 11.810 7.480 8.802 1.00 0.00 C ATOM 1460 OE1 GLN A 92 11.036 7.983 9.620 1.00 0.00 O ATOM 1461 NE2 GLN A 92 12.419 6.322 9.034 1.00 0.00 N ATOM 0 H GLN A 92 12.588 10.997 6.719 1.00 0.00 H new ATOM 0 HA GLN A 92 11.556 9.003 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.741 9.823 7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.097 8.448 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.381 7.430 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.019 8.802 7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.054 5.931 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.252 5.824 9.908 1.00 0.00 H new ATOM 1470 N ILE A 93 9.202 9.884 4.347 1.00 0.00 N ATOM 1471 CA ILE A 93 7.989 10.509 3.787 1.00 0.00 C ATOM 1472 C ILE A 93 6.946 10.799 4.895 1.00 0.00 C ATOM 1473 O ILE A 93 6.046 10.002 5.163 1.00 0.00 O ATOM 1474 CB ILE A 93 7.375 9.683 2.556 1.00 0.00 C ATOM 1475 CG1 ILE A 93 7.517 8.115 2.687 1.00 0.00 C ATOM 1476 CG2 ILE A 93 8.009 10.154 1.216 1.00 0.00 C ATOM 1477 CD1 ILE A 93 6.781 7.423 3.823 1.00 0.00 C ATOM 0 H ILE A 93 9.294 8.892 4.126 1.00 0.00 H new ATOM 0 HA ILE A 93 8.288 11.470 3.368 1.00 0.00 H new ATOM 0 HB ILE A 93 6.306 9.895 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.180 7.670 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.577 7.883 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.582 9.584 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.803 11.214 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.087 9.994 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.975 6.351 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.130 7.819 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.710 7.602 3.725 1.00 0.00 H new ATOM 1489 N VAL A 94 7.094 11.961 5.552 1.00 0.00 N ATOM 1490 CA VAL A 94 6.161 12.418 6.583 1.00 0.00 C ATOM 1491 C VAL A 94 5.111 13.327 5.912 1.00 0.00 C ATOM 1492 O VAL A 94 5.343 14.515 5.648 1.00 0.00 O ATOM 1493 CB VAL A 94 6.912 13.103 7.796 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.895 14.218 7.334 1.00 0.00 C ATOM 1495 CG2 VAL A 94 5.904 13.632 8.856 1.00 0.00 C ATOM 0 H VAL A 94 7.865 12.606 5.380 1.00 0.00 H new ATOM 0 HA VAL A 94 5.645 11.568 7.029 1.00 0.00 H new ATOM 0 HB VAL A 94 7.520 12.331 8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.384 14.655 8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.648 13.788 6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.343 14.992 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.450 14.097 9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.245 14.368 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.310 12.802 9.239 1.00 0.00 H new ATOM 1505 N TRP A 95 3.963 12.726 5.577 1.00 0.00 N ATOM 1506 CA TRP A 95 2.902 13.364 4.781 1.00 0.00 C ATOM 1507 C TRP A 95 1.610 13.472 5.598 1.00 0.00 C ATOM 1508 O TRP A 95 1.402 12.655 6.505 1.00 0.00 O ATOM 1509 CB TRP A 95 2.682 12.605 3.438 1.00 0.00 C ATOM 1510 CG TRP A 95 2.788 11.091 3.452 1.00 0.00 C ATOM 1511 CD1 TRP A 95 2.366 10.201 4.406 1.00 0.00 C ATOM 1512 CD2 TRP A 95 3.321 10.299 2.388 1.00 0.00 C ATOM 1513 NE1 TRP A 95 2.660 8.918 4.009 1.00 0.00 N ATOM 1514 CE2 TRP A 95 3.229 8.958 2.771 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.874 10.616 1.143 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.676 7.927 1.960 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.313 9.592 0.337 1.00 0.00 C ATOM 1518 CH2 TRP A 95 4.210 8.259 0.747 1.00 0.00 C ATOM 0 H TRP A 95 3.740 11.770 5.854 1.00 0.00 H new ATOM 0 HA TRP A 95 3.216 14.377 4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.692 12.867 3.064 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.406 12.984 2.717 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.876 10.468 5.331 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.481 8.074 4.552 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.955 11.644 0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.605 6.897 2.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.744 9.821 -0.627 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.560 7.476 0.091 1.00 0.00 H new ATOM 1529 N PRO A 96 0.743 14.504 5.299 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.530 14.731 6.026 1.00 0.00 C ATOM 1531 C PRO A 96 -1.410 13.473 6.124 1.00 0.00 C ATOM 1532 O PRO A 96 -1.550 12.733 5.146 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.244 15.821 5.176 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.130 16.570 4.523 1.00 0.00 C ATOM 1535 CD PRO A 96 0.938 15.542 4.231 1.00 0.00 C ATOM 0 HA PRO A 96 -0.346 15.018 7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.910 15.376 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.852 16.476 5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.468 17.054 3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.250 17.355 5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.821 15.116 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.936 15.979 4.276 1.00 0.00 H new ATOM 1543 N GLN A 97 -1.942 13.223 7.328 1.00 0.00 N ATOM 1544 CA GLN A 97 -2.978 12.208 7.568 1.00 0.00 C ATOM 1545 C GLN A 97 -4.358 12.850 7.344 1.00 0.00 C ATOM 1546 O GLN A 97 -4.512 14.073 7.506 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.840 11.606 9.002 1.00 0.00 C ATOM 1548 CG GLN A 97 -3.859 10.498 9.386 1.00 0.00 C ATOM 1549 CD GLN A 97 -3.820 9.220 8.515 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.518 9.247 7.319 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.137 8.082 9.109 1.00 0.00 N ATOM 0 H GLN A 97 -1.663 13.724 8.171 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.859 11.380 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.835 11.197 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.930 12.418 9.724 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.685 10.214 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.863 10.920 9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.385 8.075 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.134 7.211 8.578 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.345 12.034 6.941 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.707 12.501 6.610 1.00 0.00 C ATOM 1562 C LEU A 98 -7.468 13.000 7.868 1.00 0.00 C ATOM 1563 O LEU A 98 -7.177 12.538 8.977 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.489 11.381 5.827 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.231 9.875 6.195 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -7.638 9.533 7.641 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -7.940 8.938 5.187 1.00 0.00 C ATOM 0 H LEU A 98 -5.223 11.027 6.834 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.627 13.366 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.554 11.573 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.267 11.504 4.767 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.155 9.716 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.436 8.480 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.064 10.147 8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.702 9.730 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.749 7.900 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.013 9.127 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.557 9.126 4.184 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.418 13.988 7.716 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.171 14.571 8.864 1.00 0.00 C ATOM 1581 C PRO A 99 -9.991 13.529 9.661 1.00 0.00 C ATOM 1582 O PRO A 99 -9.978 13.530 10.901 1.00 0.00 O ATOM 1583 CB PRO A 99 -10.096 15.634 8.198 1.00 0.00 C ATOM 1584 CG PRO A 99 -10.145 15.261 6.745 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.799 14.649 6.434 1.00 0.00 C ATOM 0 HA PRO A 99 -8.495 14.989 9.609 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.092 15.622 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.699 16.640 8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.951 14.554 6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.330 16.136 6.122 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.863 13.932 5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.071 15.405 6.140 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.707 12.651 8.941 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.591 11.638 9.545 1.00 0.00 C ATOM 1595 C VAL A 100 -10.815 10.305 9.694 1.00 0.00 C ATOM 1596 O VAL A 100 -10.731 9.539 8.712 1.00 0.00 O ATOM 1597 CB VAL A 100 -12.904 11.450 8.686 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -13.886 10.447 9.356 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.594 12.820 8.403 1.00 0.00 C ATOM 1600 OXT VAL A 100 -10.270 10.045 10.786 1.00 0.00 O ATOM 0 H VAL A 100 -10.690 12.622 7.922 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.902 11.975 10.534 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.610 11.024 7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.777 10.343 8.738 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.400 9.477 9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.169 10.818 10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.494 12.658 7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.861 13.295 9.347 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.909 13.466 7.854 1.00 0.00 H new TER 1610 VAL A 100