USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 934 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 50 ASN : amide:sc= -0.546 K(o=-0.26,f=-1.1) USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0.291 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.00388 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0766 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -177:sc= -0.317 (180deg=-0.387) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 34 HIS : no HD1:sc= -0.617 X(o=-0.62,f=-0.96) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.324 K(o=0.32,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.0576 (180deg=-0.396) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -154:sc= 1.17 USER MOD Single : A 67 HIS : no HD1:sc= 0.798 K(o=0.8,f=-6.8!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 72 THR OG1 : rot 99:sc= 0.00327 USER MOD Single : A 74 SER OG : rot -83:sc= 1.33 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 0.819 (180deg=0.787) USER MOD Single : A 86 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 118:sc= 1.32 USER MOD Single : A 97 HIS : no HE2:sc= -0.531 K(o=-0.53,f=-1.1) USER MOD Single : A 99 SER OG : rot 80:sc= -1.17 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.519 F(o=-1.3,f=-0.52) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc=-0.00174 X(o=-0.0017,f=-0.00076) USER MOD Single : A 107 THR OG1 : rot -30:sc= 0.954 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.126 23.159 -13.353 1.00 0.00 N ATOM 2 CA GLY A 1 12.051 23.068 -12.359 1.00 0.00 C ATOM 3 C GLY A 1 11.670 21.628 -12.136 1.00 0.00 C ATOM 4 O GLY A 1 11.426 20.905 -13.105 1.00 0.00 O ATOM 0 H1 GLY A 1 12.979 24.000 -13.947 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.043 23.234 -12.867 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.120 22.308 -13.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.375 23.516 -11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.183 23.633 -12.698 1.00 0.00 H new ATOM 8 N SER A 2 11.644 21.200 -10.873 1.00 0.00 N ATOM 9 CA SER A 2 11.274 19.839 -10.532 1.00 0.00 C ATOM 10 C SER A 2 9.796 19.584 -10.840 1.00 0.00 C ATOM 11 O SER A 2 8.992 20.513 -10.986 1.00 0.00 O ATOM 12 CB SER A 2 11.601 19.568 -9.064 1.00 0.00 C ATOM 13 OG SER A 2 12.981 19.774 -8.804 1.00 0.00 O ATOM 0 H SER A 2 11.877 21.785 -10.071 1.00 0.00 H new ATOM 0 HA SER A 2 11.853 19.146 -11.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.006 20.223 -8.428 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.328 18.544 -8.810 1.00 0.00 H new ATOM 0 HG SER A 2 13.166 19.596 -7.858 1.00 0.00 H new ATOM 19 N SER A 3 9.447 18.305 -10.904 1.00 0.00 N ATOM 20 CA SER A 3 8.128 17.787 -11.219 1.00 0.00 C ATOM 21 C SER A 3 7.734 16.822 -10.093 1.00 0.00 C ATOM 22 O SER A 3 8.488 16.636 -9.133 1.00 0.00 O ATOM 23 CB SER A 3 8.222 17.167 -12.623 1.00 0.00 C ATOM 24 OG SER A 3 6.994 16.679 -13.126 1.00 0.00 O ATOM 0 H SER A 3 10.120 17.560 -10.726 1.00 0.00 H new ATOM 0 HA SER A 3 7.337 18.536 -11.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.612 17.915 -13.313 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.942 16.349 -12.599 1.00 0.00 H new ATOM 0 HG SER A 3 7.133 16.303 -14.020 1.00 0.00 H new ATOM 30 N GLY A 4 6.552 16.218 -10.166 1.00 0.00 N ATOM 31 CA GLY A 4 6.016 15.359 -9.129 1.00 0.00 C ATOM 32 C GLY A 4 5.006 16.151 -8.317 1.00 0.00 C ATOM 33 O GLY A 4 3.804 15.985 -8.540 1.00 0.00 O ATOM 0 H GLY A 4 5.930 16.318 -10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.542 14.483 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.818 14.997 -8.486 1.00 0.00 H new ATOM 37 N SER A 5 5.472 16.974 -7.374 1.00 0.00 N ATOM 38 CA SER A 5 4.613 17.505 -6.319 1.00 0.00 C ATOM 39 C SER A 5 5.115 18.805 -5.667 1.00 0.00 C ATOM 40 O SER A 5 4.714 19.129 -4.545 1.00 0.00 O ATOM 41 CB SER A 5 4.417 16.395 -5.277 1.00 0.00 C ATOM 42 OG SER A 5 5.656 15.831 -4.896 1.00 0.00 O ATOM 0 H SER A 5 6.442 17.286 -7.322 1.00 0.00 H new ATOM 0 HA SER A 5 3.667 17.796 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.913 16.800 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.770 15.618 -5.685 1.00 0.00 H new ATOM 0 HG SER A 5 5.504 15.128 -4.230 1.00 0.00 H new ATOM 48 N SER A 6 5.997 19.574 -6.310 1.00 0.00 N ATOM 49 CA SER A 6 6.470 20.839 -5.747 1.00 0.00 C ATOM 50 C SER A 6 5.374 21.915 -5.862 1.00 0.00 C ATOM 51 O SER A 6 5.397 22.716 -6.799 1.00 0.00 O ATOM 52 CB SER A 6 7.814 21.255 -6.375 1.00 0.00 C ATOM 53 OG SER A 6 8.062 20.691 -7.657 1.00 0.00 O ATOM 0 H SER A 6 6.397 19.343 -7.219 1.00 0.00 H new ATOM 0 HA SER A 6 6.669 20.711 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.842 22.341 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.621 20.966 -5.702 1.00 0.00 H new ATOM 0 HG SER A 6 8.930 21.002 -7.989 1.00 0.00 H new ATOM 59 N GLY A 7 4.418 21.951 -4.924 1.00 0.00 N ATOM 60 CA GLY A 7 3.245 22.819 -4.996 1.00 0.00 C ATOM 61 C GLY A 7 2.555 23.051 -3.652 1.00 0.00 C ATOM 62 O GLY A 7 1.326 22.948 -3.567 1.00 0.00 O ATOM 0 H GLY A 7 4.442 21.370 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.544 23.782 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.527 22.384 -5.690 1.00 0.00 H new ATOM 66 N THR A 8 3.307 23.374 -2.599 1.00 0.00 N ATOM 67 CA THR A 8 2.774 23.501 -1.248 1.00 0.00 C ATOM 68 C THR A 8 3.610 24.519 -0.463 1.00 0.00 C ATOM 69 O THR A 8 4.842 24.451 -0.459 1.00 0.00 O ATOM 70 CB THR A 8 2.709 22.096 -0.607 1.00 0.00 C ATOM 71 OG1 THR A 8 2.350 22.180 0.761 1.00 0.00 O ATOM 72 CG2 THR A 8 4.002 21.273 -0.720 1.00 0.00 C ATOM 0 H THR A 8 4.309 23.555 -2.663 1.00 0.00 H new ATOM 0 HA THR A 8 1.756 23.890 -1.248 1.00 0.00 H new ATOM 0 HB THR A 8 1.947 21.573 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.313 21.279 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.859 20.304 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.249 21.126 -1.771 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.816 21.805 -0.227 1.00 0.00 H new ATOM 80 N VAL A 9 2.953 25.445 0.242 1.00 0.00 N ATOM 81 CA VAL A 9 3.592 26.560 0.939 1.00 0.00 C ATOM 82 C VAL A 9 3.031 26.642 2.360 1.00 0.00 C ATOM 83 O VAL A 9 1.813 26.634 2.539 1.00 0.00 O ATOM 84 CB VAL A 9 3.349 27.873 0.161 1.00 0.00 C ATOM 85 CG1 VAL A 9 4.091 29.059 0.797 1.00 0.00 C ATOM 86 CG2 VAL A 9 3.794 27.769 -1.307 1.00 0.00 C ATOM 0 H VAL A 9 1.938 25.438 0.345 1.00 0.00 H new ATOM 0 HA VAL A 9 4.669 26.402 0.997 1.00 0.00 H new ATOM 0 HB VAL A 9 2.273 28.041 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.894 29.963 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.744 29.199 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.162 28.858 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.603 28.716 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.859 27.543 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.235 26.975 -1.801 1.00 0.00 H new ATOM 96 N ALA A 10 3.930 26.772 3.339 1.00 0.00 N ATOM 97 CA ALA A 10 3.725 27.083 4.749 1.00 0.00 C ATOM 98 C ALA A 10 2.430 26.517 5.353 1.00 0.00 C ATOM 99 O ALA A 10 1.631 27.269 5.919 1.00 0.00 O ATOM 100 CB ALA A 10 3.858 28.601 4.948 1.00 0.00 C ATOM 0 H ALA A 10 4.922 26.648 3.138 1.00 0.00 H new ATOM 0 HA ALA A 10 4.504 26.569 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.706 28.845 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.853 28.922 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.109 29.114 4.345 1.00 0.00 H new ATOM 106 N SER A 11 2.254 25.196 5.307 1.00 0.00 N ATOM 107 CA SER A 11 1.157 24.505 5.978 1.00 0.00 C ATOM 108 C SER A 11 1.660 23.406 6.915 1.00 0.00 C ATOM 109 O SER A 11 2.858 23.116 6.976 1.00 0.00 O ATOM 110 CB SER A 11 0.151 23.988 4.942 1.00 0.00 C ATOM 111 OG SER A 11 -0.556 25.074 4.375 1.00 0.00 O ATOM 0 H SER A 11 2.877 24.570 4.797 1.00 0.00 H new ATOM 0 HA SER A 11 0.637 25.218 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.672 23.434 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.546 23.295 5.413 1.00 0.00 H new ATOM 0 HG SER A 11 -1.196 24.738 3.713 1.00 0.00 H new ATOM 117 N ARG A 12 0.740 22.837 7.694 1.00 0.00 N ATOM 118 CA ARG A 12 0.951 21.756 8.655 1.00 0.00 C ATOM 119 C ARG A 12 -0.108 20.681 8.405 1.00 0.00 C ATOM 120 O ARG A 12 -0.892 20.779 7.456 1.00 0.00 O ATOM 121 CB ARG A 12 0.847 22.311 10.091 1.00 0.00 C ATOM 122 CG ARG A 12 1.953 23.310 10.457 1.00 0.00 C ATOM 123 CD ARG A 12 1.824 23.700 11.933 1.00 0.00 C ATOM 124 NE ARG A 12 2.963 24.520 12.372 1.00 0.00 N ATOM 125 CZ ARG A 12 3.559 24.485 13.569 1.00 0.00 C ATOM 126 NH1 ARG A 12 3.143 23.647 14.515 1.00 0.00 N ATOM 127 NH2 ARG A 12 4.580 25.296 13.800 1.00 0.00 N ATOM 0 H ARG A 12 -0.234 23.138 7.668 1.00 0.00 H new ATOM 0 HA ARG A 12 1.943 21.321 8.535 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.121 22.797 10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.877 21.479 10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.932 22.869 10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.879 24.197 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.896 24.251 12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.764 22.800 12.545 1.00 0.00 H new ATOM 0 HE ARG A 12 3.337 25.184 11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.360 23.020 14.332 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.607 23.632 15.423 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.900 25.934 13.071 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.047 25.283 14.707 1.00 0.00 H new ATOM 141 N LEU A 13 -0.149 19.656 9.256 1.00 0.00 N ATOM 142 CA LEU A 13 -1.291 18.753 9.387 1.00 0.00 C ATOM 143 C LEU A 13 -1.584 18.541 10.864 1.00 0.00 C ATOM 144 O LEU A 13 -2.710 18.768 11.308 1.00 0.00 O ATOM 145 CB LEU A 13 -1.023 17.415 8.684 1.00 0.00 C ATOM 146 CG LEU A 13 -2.160 16.389 8.866 1.00 0.00 C ATOM 147 CD1 LEU A 13 -3.486 16.873 8.269 1.00 0.00 C ATOM 148 CD2 LEU A 13 -1.749 15.074 8.205 1.00 0.00 C ATOM 0 H LEU A 13 0.622 19.427 9.883 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.160 19.201 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.874 17.596 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.096 16.990 9.068 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.320 16.252 9.935 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.253 16.114 8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.788 17.799 8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.361 17.050 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.546 14.341 8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.570 15.241 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.838 14.701 8.672 1.00 0.00 H new ATOM 160 N SER A 14 -0.560 18.148 11.625 1.00 0.00 N ATOM 161 CA SER A 14 -0.658 17.856 13.046 1.00 0.00 C ATOM 162 C SER A 14 -1.785 16.858 13.341 1.00 0.00 C ATOM 163 O SER A 14 -2.772 17.154 14.011 1.00 0.00 O ATOM 164 CB SER A 14 -0.692 19.156 13.853 1.00 0.00 C ATOM 165 OG SER A 14 0.402 20.003 13.490 1.00 0.00 O ATOM 0 H SER A 14 0.382 18.023 11.255 1.00 0.00 H new ATOM 0 HA SER A 14 0.239 17.336 13.381 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.634 19.675 13.677 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.646 18.930 14.918 1.00 0.00 H new ATOM 0 HG SER A 14 0.363 20.830 14.014 1.00 0.00 H new ATOM 171 N ASP A 15 -1.593 15.638 12.850 1.00 0.00 N ATOM 172 CA ASP A 15 -2.151 14.421 13.433 1.00 0.00 C ATOM 173 C ASP A 15 -1.060 13.361 13.394 1.00 0.00 C ATOM 174 O ASP A 15 -0.207 13.413 12.508 1.00 0.00 O ATOM 175 CB ASP A 15 -3.373 13.920 12.680 1.00 0.00 C ATOM 176 CG ASP A 15 -4.061 12.803 13.469 1.00 0.00 C ATOM 177 OD1 ASP A 15 -4.395 13.011 14.656 1.00 0.00 O ATOM 178 OD2 ASP A 15 -4.195 11.672 12.957 1.00 0.00 O ATOM 0 H ASP A 15 -1.032 15.463 12.016 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.478 14.634 14.451 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.070 14.742 12.516 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.078 13.552 11.697 1.00 0.00 H new ATOM 183 N THR A 16 -1.067 12.400 14.309 1.00 0.00 N ATOM 184 CA THR A 16 -0.067 11.345 14.363 1.00 0.00 C ATOM 185 C THR A 16 -0.503 10.136 13.538 1.00 0.00 C ATOM 186 O THR A 16 0.325 9.550 12.835 1.00 0.00 O ATOM 187 CB THR A 16 0.183 10.972 15.830 1.00 0.00 C ATOM 188 OG1 THR A 16 0.468 12.152 16.549 1.00 0.00 O ATOM 189 CG2 THR A 16 1.385 10.041 15.970 1.00 0.00 C ATOM 0 H THR A 16 -1.774 12.332 15.041 1.00 0.00 H new ATOM 0 HA THR A 16 0.866 11.701 13.927 1.00 0.00 H new ATOM 0 HB THR A 16 -0.705 10.467 16.211 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.629 11.931 17.490 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.535 9.796 17.021 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.204 9.126 15.406 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.276 10.536 15.582 1.00 0.00 H new ATOM 197 N LYS A 17 -1.784 9.752 13.599 1.00 0.00 N ATOM 198 CA LYS A 17 -2.255 8.608 12.829 1.00 0.00 C ATOM 199 C LYS A 17 -2.262 8.982 11.353 1.00 0.00 C ATOM 200 O LYS A 17 -1.567 8.346 10.565 1.00 0.00 O ATOM 201 CB LYS A 17 -3.636 8.181 13.321 1.00 0.00 C ATOM 202 CG LYS A 17 -4.010 6.846 12.672 1.00 0.00 C ATOM 203 CD LYS A 17 -5.320 6.303 13.228 1.00 0.00 C ATOM 204 CE LYS A 17 -6.539 7.047 12.665 1.00 0.00 C ATOM 205 NZ LYS A 17 -7.797 6.348 12.994 1.00 0.00 N ATOM 0 H LYS A 17 -2.498 10.211 14.165 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.590 7.755 12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.635 8.084 14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.376 8.941 13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.098 6.976 11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.213 6.122 12.842 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.402 5.242 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.315 6.387 14.315 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.567 8.059 13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.444 7.138 11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.601 6.876 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.779 5.391 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.899 6.284 14.027 1.00 0.00 H new ATOM 219 N ALA A 18 -2.904 10.106 11.021 1.00 0.00 N ATOM 220 CA ALA A 18 -3.011 10.588 9.657 1.00 0.00 C ATOM 221 C ALA A 18 -1.621 10.800 9.070 1.00 0.00 C ATOM 222 O ALA A 18 -1.390 10.434 7.928 1.00 0.00 O ATOM 223 CB ALA A 18 -3.823 11.886 9.598 1.00 0.00 C ATOM 0 H ALA A 18 -3.366 10.706 11.704 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.534 9.838 9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.889 12.227 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.826 11.706 9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.333 12.650 10.202 1.00 0.00 H new ATOM 229 N ALA A 19 -0.670 11.347 9.836 1.00 0.00 N ATOM 230 CA ALA A 19 0.683 11.531 9.330 1.00 0.00 C ATOM 231 C ALA A 19 1.409 10.205 9.065 1.00 0.00 C ATOM 232 O ALA A 19 2.275 10.170 8.199 1.00 0.00 O ATOM 233 CB ALA A 19 1.483 12.421 10.270 1.00 0.00 C ATOM 0 H ALA A 19 -0.815 11.664 10.795 1.00 0.00 H new ATOM 0 HA ALA A 19 0.598 12.026 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.492 12.549 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.998 13.394 10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.532 11.958 11.256 1.00 0.00 H new ATOM 239 N GLY A 20 1.061 9.112 9.750 1.00 0.00 N ATOM 240 CA GLY A 20 1.599 7.788 9.456 1.00 0.00 C ATOM 241 C GLY A 20 1.092 7.275 8.108 1.00 0.00 C ATOM 242 O GLY A 20 1.851 6.659 7.355 1.00 0.00 O ATOM 0 H GLY A 20 0.397 9.124 10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.688 7.828 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.312 7.092 10.245 1.00 0.00 H new ATOM 246 N GLU A 21 -0.178 7.540 7.795 1.00 0.00 N ATOM 247 CA GLU A 21 -0.768 7.307 6.483 1.00 0.00 C ATOM 248 C GLU A 21 -0.110 8.202 5.427 1.00 0.00 C ATOM 249 O GLU A 21 0.373 7.692 4.420 1.00 0.00 O ATOM 250 CB GLU A 21 -2.287 7.529 6.535 1.00 0.00 C ATOM 251 CG GLU A 21 -3.088 6.275 6.895 1.00 0.00 C ATOM 252 CD GLU A 21 -3.008 5.807 8.349 1.00 0.00 C ATOM 253 OE1 GLU A 21 -3.593 6.465 9.236 1.00 0.00 O ATOM 254 OE2 GLU A 21 -2.498 4.685 8.581 1.00 0.00 O ATOM 0 H GLU A 21 -0.838 7.932 8.467 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.587 6.271 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.505 8.309 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.623 7.897 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.135 6.458 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.751 5.460 6.255 1.00 0.00 H new ATOM 261 N VAL A 22 -0.047 9.516 5.656 1.00 0.00 N ATOM 262 CA VAL A 22 0.542 10.500 4.750 1.00 0.00 C ATOM 263 C VAL A 22 1.977 10.112 4.420 1.00 0.00 C ATOM 264 O VAL A 22 2.330 10.095 3.247 1.00 0.00 O ATOM 265 CB VAL A 22 0.487 11.904 5.381 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.254 12.970 4.585 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.949 12.403 5.554 1.00 0.00 C ATOM 0 H VAL A 22 -0.418 9.937 6.508 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.032 10.519 3.824 1.00 0.00 H new ATOM 0 HB VAL A 22 0.967 11.775 6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.170 13.932 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.304 12.687 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.833 13.049 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.937 13.396 6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.438 12.450 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.496 11.719 6.202 1.00 0.00 H new ATOM 277 N LYS A 23 2.802 9.794 5.426 1.00 0.00 N ATOM 278 CA LYS A 23 4.179 9.372 5.206 1.00 0.00 C ATOM 279 C LYS A 23 4.189 8.194 4.254 1.00 0.00 C ATOM 280 O LYS A 23 4.944 8.198 3.290 1.00 0.00 O ATOM 281 CB LYS A 23 4.860 9.031 6.542 1.00 0.00 C ATOM 282 CG LYS A 23 6.383 8.841 6.400 1.00 0.00 C ATOM 283 CD LYS A 23 6.811 7.393 6.109 1.00 0.00 C ATOM 284 CE LYS A 23 8.172 7.311 5.408 1.00 0.00 C ATOM 285 NZ LYS A 23 9.297 7.769 6.245 1.00 0.00 N ATOM 0 H LYS A 23 2.529 9.824 6.408 1.00 0.00 H new ATOM 0 HA LYS A 23 4.748 10.186 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.662 9.827 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.420 8.120 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.745 9.484 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.867 9.174 7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.854 6.836 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.056 6.913 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.353 6.280 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.139 7.911 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.185 7.686 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.147 8.762 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.354 7.182 7.102 1.00 0.00 H new ATOM 299 N ALA A 24 3.368 7.186 4.540 1.00 0.00 N ATOM 300 CA ALA A 24 3.277 6.001 3.708 1.00 0.00 C ATOM 301 C ALA A 24 2.864 6.346 2.269 1.00 0.00 C ATOM 302 O ALA A 24 3.414 5.742 1.354 1.00 0.00 O ATOM 303 CB ALA A 24 2.360 4.967 4.365 1.00 0.00 C ATOM 0 H ALA A 24 2.752 7.173 5.353 1.00 0.00 H new ATOM 0 HA ALA A 24 4.267 5.552 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.298 4.081 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.763 4.690 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.364 5.392 4.492 1.00 0.00 H new ATOM 309 N LEU A 25 1.959 7.309 2.038 1.00 0.00 N ATOM 310 CA LEU A 25 1.631 7.768 0.683 1.00 0.00 C ATOM 311 C LEU A 25 2.847 8.437 0.041 1.00 0.00 C ATOM 312 O LEU A 25 3.217 8.095 -1.076 1.00 0.00 O ATOM 313 CB LEU A 25 0.477 8.784 0.682 1.00 0.00 C ATOM 314 CG LEU A 25 0.011 9.134 -0.745 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.147 8.273 -1.256 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.418 10.594 -0.725 1.00 0.00 C ATOM 0 H LEU A 25 1.441 7.785 2.776 1.00 0.00 H new ATOM 0 HA LEU A 25 1.330 6.886 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.362 8.379 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.795 9.693 1.192 1.00 0.00 H new ATOM 0 HG LEU A 25 0.840 8.943 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.413 8.584 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.845 7.226 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.009 8.395 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.757 10.887 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.231 10.725 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.427 11.217 -0.431 1.00 0.00 H new ATOM 328 N ASP A 26 3.445 9.411 0.730 1.00 0.00 N ATOM 329 CA ASP A 26 4.534 10.239 0.213 1.00 0.00 C ATOM 330 C ASP A 26 5.688 9.345 -0.205 1.00 0.00 C ATOM 331 O ASP A 26 6.304 9.533 -1.258 1.00 0.00 O ATOM 332 CB ASP A 26 5.029 11.216 1.295 1.00 0.00 C ATOM 333 CG ASP A 26 5.499 12.546 0.709 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.566 12.570 0.058 1.00 0.00 O ATOM 335 OD2 ASP A 26 4.792 13.568 0.909 1.00 0.00 O ATOM 0 H ASP A 26 3.179 9.651 1.685 1.00 0.00 H new ATOM 0 HA ASP A 26 4.166 10.808 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.226 11.400 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.848 10.756 1.848 1.00 0.00 H new ATOM 340 N ASP A 27 5.987 8.369 0.651 1.00 0.00 N ATOM 341 CA ASP A 27 7.128 7.499 0.491 1.00 0.00 C ATOM 342 C ASP A 27 6.882 6.481 -0.618 1.00 0.00 C ATOM 343 O ASP A 27 7.809 6.107 -1.336 1.00 0.00 O ATOM 344 CB ASP A 27 7.436 6.769 1.806 1.00 0.00 C ATOM 345 CG ASP A 27 8.904 6.393 1.961 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.768 6.910 1.212 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.215 5.683 2.939 1.00 0.00 O ATOM 0 H ASP A 27 5.431 8.166 1.482 1.00 0.00 H new ATOM 0 HA ASP A 27 7.984 8.115 0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.141 7.403 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.829 5.865 1.862 1.00 0.00 H new ATOM 352 N PHE A 28 5.627 6.037 -0.755 1.00 0.00 N ATOM 353 CA PHE A 28 5.145 5.179 -1.823 1.00 0.00 C ATOM 354 C PHE A 28 5.262 5.901 -3.159 1.00 0.00 C ATOM 355 O PHE A 28 5.894 5.382 -4.076 1.00 0.00 O ATOM 356 CB PHE A 28 3.693 4.769 -1.531 1.00 0.00 C ATOM 357 CG PHE A 28 3.022 4.058 -2.677 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.339 4.792 -3.665 1.00 0.00 C ATOM 359 CD2 PHE A 28 3.138 2.664 -2.780 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.832 4.135 -4.795 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.601 2.012 -3.899 1.00 0.00 C ATOM 362 CZ PHE A 28 1.974 2.745 -4.919 1.00 0.00 C ATOM 0 H PHE A 28 4.893 6.282 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 28 5.752 4.275 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.677 4.122 -0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.117 5.660 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.206 5.858 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.636 2.099 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.333 4.699 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.670 0.937 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.602 2.240 -5.798 1.00 0.00 H new ATOM 372 N TYR A 29 4.678 7.094 -3.284 1.00 0.00 N ATOM 373 CA TYR A 29 4.685 7.840 -4.538 1.00 0.00 C ATOM 374 C TYR A 29 6.082 8.100 -5.062 1.00 0.00 C ATOM 375 O TYR A 29 6.329 8.025 -6.265 1.00 0.00 O ATOM 376 CB TYR A 29 4.002 9.195 -4.354 1.00 0.00 C ATOM 377 CG TYR A 29 2.534 9.184 -4.668 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.070 8.494 -5.799 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.658 9.959 -3.897 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.733 8.592 -6.178 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.319 10.105 -4.302 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.146 9.431 -5.459 1.00 0.00 C ATOM 383 OH TYR A 29 -1.404 9.638 -5.932 1.00 0.00 O ATOM 0 H TYR A 29 4.190 7.566 -2.522 1.00 0.00 H new ATOM 0 HA TYR A 29 4.151 7.219 -5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.141 9.524 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.495 9.929 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.751 7.886 -6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.009 10.442 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.369 8.026 -7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.354 10.729 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.887 10.238 -5.326 1.00 0.00 H new ATOM 393 N LYS A 30 7.001 8.399 -4.153 1.00 0.00 N ATOM 394 CA LYS A 30 8.393 8.564 -4.521 1.00 0.00 C ATOM 395 C LYS A 30 8.889 7.328 -5.280 1.00 0.00 C ATOM 396 O LYS A 30 9.448 7.477 -6.362 1.00 0.00 O ATOM 397 CB LYS A 30 9.238 8.891 -3.285 1.00 0.00 C ATOM 398 CG LYS A 30 10.147 10.096 -3.574 1.00 0.00 C ATOM 399 CD LYS A 30 11.333 10.170 -2.609 1.00 0.00 C ATOM 400 CE LYS A 30 12.387 9.162 -3.079 1.00 0.00 C ATOM 401 NZ LYS A 30 13.372 8.832 -2.041 1.00 0.00 N ATOM 0 H LYS A 30 6.805 8.531 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 30 8.496 9.411 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.588 9.110 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.842 8.027 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.517 10.033 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.564 11.014 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.749 11.177 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.013 9.941 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.888 8.248 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.906 9.566 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.057 8.147 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.871 9.696 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.886 8.419 -1.220 1.00 0.00 H new ATOM 415 N MET A 31 8.676 6.112 -4.770 1.00 0.00 N ATOM 416 CA MET A 31 9.052 4.906 -5.517 1.00 0.00 C ATOM 417 C MET A 31 8.178 4.726 -6.756 1.00 0.00 C ATOM 418 O MET A 31 8.682 4.227 -7.750 1.00 0.00 O ATOM 419 CB MET A 31 9.039 3.605 -4.696 1.00 0.00 C ATOM 420 CG MET A 31 8.741 3.775 -3.215 1.00 0.00 C ATOM 421 SD MET A 31 8.410 2.231 -2.343 1.00 0.00 S ATOM 422 CE MET A 31 10.092 1.588 -2.207 1.00 0.00 C ATOM 0 H MET A 31 8.253 5.936 -3.859 1.00 0.00 H new ATOM 0 HA MET A 31 10.089 5.082 -5.803 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.296 2.932 -5.124 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.009 3.119 -4.801 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.587 4.272 -2.741 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.880 4.434 -3.103 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.069 0.605 -1.737 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.531 1.504 -3.201 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.693 2.266 -1.601 1.00 0.00 H new ATOM 432 N LEU A 32 6.906 5.135 -6.746 1.00 0.00 N ATOM 433 CA LEU A 32 6.038 5.047 -7.921 1.00 0.00 C ATOM 434 C LEU A 32 6.673 5.770 -9.120 1.00 0.00 C ATOM 435 O LEU A 32 6.569 5.300 -10.253 1.00 0.00 O ATOM 436 CB LEU A 32 4.640 5.599 -7.586 1.00 0.00 C ATOM 437 CG LEU A 32 3.572 5.185 -8.608 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.137 3.734 -8.407 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.326 6.064 -8.449 1.00 0.00 C ATOM 0 H LEU A 32 6.451 5.535 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 32 5.922 4.001 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.344 5.249 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.687 6.687 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 32 4.013 5.302 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.380 3.475 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.999 3.076 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.721 3.614 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.573 5.764 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.924 5.947 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.594 7.108 -8.613 1.00 0.00 H new ATOM 451 N GLN A 33 7.362 6.882 -8.857 1.00 0.00 N ATOM 452 CA GLN A 33 8.211 7.575 -9.814 1.00 0.00 C ATOM 453 C GLN A 33 9.523 6.809 -10.045 1.00 0.00 C ATOM 454 O GLN A 33 9.865 6.534 -11.193 1.00 0.00 O ATOM 455 CB GLN A 33 8.495 8.998 -9.300 1.00 0.00 C ATOM 456 CG GLN A 33 7.244 9.897 -9.265 1.00 0.00 C ATOM 457 CD GLN A 33 6.936 10.499 -10.634 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.720 11.304 -11.140 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.813 10.174 -11.254 1.00 0.00 N ATOM 0 H GLN A 33 7.340 7.335 -7.943 1.00 0.00 H new ATOM 0 HA GLN A 33 7.693 7.632 -10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.917 8.936 -8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.249 9.462 -9.936 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.388 9.315 -8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.393 10.698 -8.541 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.170 9.507 -10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.591 10.591 -12.158 1.00 0.00 H new ATOM 468 N HIS A 34 10.294 6.550 -8.981 1.00 0.00 N ATOM 469 CA HIS A 34 11.680 6.099 -9.083 1.00 0.00 C ATOM 470 C HIS A 34 11.810 4.619 -9.458 1.00 0.00 C ATOM 471 O HIS A 34 12.486 4.298 -10.437 1.00 0.00 O ATOM 472 CB HIS A 34 12.437 6.365 -7.770 1.00 0.00 C ATOM 473 CG HIS A 34 12.690 7.823 -7.477 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.464 8.679 -8.226 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.239 8.522 -6.392 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.472 9.874 -7.613 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.744 9.820 -6.484 1.00 0.00 N ATOM 0 H HIS A 34 9.967 6.650 -8.020 1.00 0.00 H new ATOM 0 HA HIS A 34 12.124 6.677 -9.893 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.869 5.935 -6.945 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.393 5.843 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.606 8.139 -5.605 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.988 10.751 -7.975 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.590 10.581 -5.822 1.00 0.00 H new ATOM 485 N GLU A 35 11.245 3.720 -8.651 1.00 0.00 N ATOM 486 CA GLU A 35 11.374 2.271 -8.758 1.00 0.00 C ATOM 487 C GLU A 35 9.985 1.644 -8.531 1.00 0.00 C ATOM 488 O GLU A 35 9.716 1.082 -7.465 1.00 0.00 O ATOM 489 CB GLU A 35 12.490 1.748 -7.822 1.00 0.00 C ATOM 490 CG GLU A 35 12.391 2.174 -6.342 1.00 0.00 C ATOM 491 CD GLU A 35 13.571 1.711 -5.480 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.243 0.700 -5.794 1.00 0.00 O ATOM 493 OE2 GLU A 35 13.808 2.323 -4.413 1.00 0.00 O ATOM 0 H GLU A 35 10.656 4.000 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 35 11.698 1.971 -9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.492 0.659 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.451 2.085 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.321 3.261 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.468 1.775 -5.921 1.00 0.00 H new ATOM 500 N PRO A 36 9.060 1.746 -9.505 1.00 0.00 N ATOM 501 CA PRO A 36 7.674 1.313 -9.339 1.00 0.00 C ATOM 502 C PRO A 36 7.529 -0.192 -9.114 1.00 0.00 C ATOM 503 O PRO A 36 6.481 -0.639 -8.647 1.00 0.00 O ATOM 504 CB PRO A 36 6.934 1.757 -10.602 1.00 0.00 C ATOM 505 CG PRO A 36 8.059 1.852 -11.627 1.00 0.00 C ATOM 506 CD PRO A 36 9.223 2.383 -10.802 1.00 0.00 C ATOM 0 HA PRO A 36 7.254 1.765 -8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.173 1.037 -10.901 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.430 2.714 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.286 0.882 -12.069 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.804 2.524 -12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.181 2.127 -11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.190 3.469 -10.719 1.00 0.00 H new ATOM 514 N ASP A 37 8.560 -1.001 -9.363 1.00 0.00 N ATOM 515 CA ASP A 37 8.544 -2.412 -8.970 1.00 0.00 C ATOM 516 C ASP A 37 8.500 -2.573 -7.453 1.00 0.00 C ATOM 517 O ASP A 37 8.226 -3.672 -6.976 1.00 0.00 O ATOM 518 CB ASP A 37 9.763 -3.165 -9.500 1.00 0.00 C ATOM 519 CG ASP A 37 9.674 -3.433 -10.990 1.00 0.00 C ATOM 520 OD1 ASP A 37 8.646 -3.967 -11.459 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.672 -3.144 -11.695 1.00 0.00 O ATOM 0 H ASP A 37 9.415 -0.705 -9.834 1.00 0.00 H new ATOM 0 HA ASP A 37 7.640 -2.835 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.663 -2.587 -9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.861 -4.112 -8.969 1.00 0.00 H new ATOM 526 N ARG A 38 8.761 -1.505 -6.684 1.00 0.00 N ATOM 527 CA ARG A 38 8.586 -1.470 -5.235 1.00 0.00 C ATOM 528 C ARG A 38 7.328 -0.717 -4.809 1.00 0.00 C ATOM 529 O ARG A 38 7.067 -0.649 -3.607 1.00 0.00 O ATOM 530 CB ARG A 38 9.819 -0.876 -4.541 1.00 0.00 C ATOM 531 CG ARG A 38 11.054 -1.758 -4.770 1.00 0.00 C ATOM 532 CD ARG A 38 12.264 -1.362 -3.921 1.00 0.00 C ATOM 533 NE ARG A 38 11.976 -1.427 -2.480 1.00 0.00 N ATOM 534 CZ ARG A 38 12.784 -1.032 -1.492 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.016 -0.602 -1.712 1.00 0.00 N ATOM 536 NH2 ARG A 38 12.344 -1.055 -0.246 1.00 0.00 N ATOM 0 H ARG A 38 9.107 -0.625 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 38 8.466 -2.506 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.008 0.127 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.629 -0.780 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.794 -2.794 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.331 -1.712 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.100 -2.022 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.574 -0.350 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 38 11.071 -1.811 -2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.380 -0.563 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.601 -0.309 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.395 -1.372 -0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.953 -0.756 0.516 1.00 0.00 H new ATOM 550 N ALA A 39 6.540 -0.179 -5.744 1.00 0.00 N ATOM 551 CA ALA A 39 5.327 0.564 -5.453 1.00 0.00 C ATOM 552 C ALA A 39 4.175 -0.039 -6.256 1.00 0.00 C ATOM 553 O ALA A 39 3.918 0.331 -7.401 1.00 0.00 O ATOM 554 CB ALA A 39 5.532 2.059 -5.722 1.00 0.00 C ATOM 0 H ALA A 39 6.738 -0.253 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 39 5.074 0.483 -4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.612 2.599 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.336 2.435 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.794 2.208 -6.770 1.00 0.00 H new ATOM 560 N PHE A 40 3.490 -0.996 -5.637 1.00 0.00 N ATOM 561 CA PHE A 40 2.419 -1.775 -6.245 1.00 0.00 C ATOM 562 C PHE A 40 1.090 -1.104 -5.933 1.00 0.00 C ATOM 563 O PHE A 40 0.882 -0.691 -4.788 1.00 0.00 O ATOM 564 CB PHE A 40 2.414 -3.161 -5.601 1.00 0.00 C ATOM 565 CG PHE A 40 3.138 -4.211 -6.395 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.291 -3.882 -7.123 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.654 -5.529 -6.386 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.915 -4.866 -7.893 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.308 -6.536 -7.114 1.00 0.00 C ATOM 570 CZ PHE A 40 4.426 -6.186 -7.888 1.00 0.00 C ATOM 0 H PHE A 40 3.672 -1.258 -4.668 1.00 0.00 H new ATOM 0 HA PHE A 40 2.566 -1.846 -7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.868 -3.092 -4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.381 -3.478 -5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.691 -2.880 -7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.770 -5.771 -5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.776 -4.613 -8.494 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.959 -7.557 -7.079 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.917 -6.939 -8.487 1.00 0.00 H new ATOM 580 N TYR A 41 0.179 -1.014 -6.904 1.00 0.00 N ATOM 581 CA TYR A 41 -1.152 -0.468 -6.673 1.00 0.00 C ATOM 582 C TYR A 41 -2.244 -1.234 -7.411 1.00 0.00 C ATOM 583 O TYR A 41 -1.995 -1.877 -8.429 1.00 0.00 O ATOM 584 CB TYR A 41 -1.186 1.010 -7.045 1.00 0.00 C ATOM 585 CG TYR A 41 -1.281 1.267 -8.534 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.185 1.031 -9.386 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.513 1.671 -9.071 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.333 1.179 -10.777 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.657 1.864 -10.450 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.570 1.595 -11.316 1.00 0.00 C ATOM 591 OH TYR A 41 -1.728 1.667 -12.665 1.00 0.00 O ATOM 0 H TYR A 41 0.345 -1.316 -7.864 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.362 -0.579 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.036 1.479 -6.550 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.287 1.492 -6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.768 0.737 -8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.356 1.834 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.500 0.974 -11.433 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.595 2.217 -10.852 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.637 1.969 -12.872 1.00 0.00 H new ATOM 601 N GLY A 42 -3.485 -1.091 -6.949 1.00 0.00 N ATOM 602 CA GLY A 42 -4.611 -1.850 -7.463 1.00 0.00 C ATOM 603 C GLY A 42 -4.566 -3.261 -6.896 1.00 0.00 C ATOM 604 O GLY A 42 -3.511 -3.897 -6.880 1.00 0.00 O ATOM 0 H GLY A 42 -3.733 -0.440 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.547 -1.365 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.576 -1.882 -8.552 1.00 0.00 H new ATOM 608 N LEU A 43 -5.721 -3.749 -6.434 1.00 0.00 N ATOM 609 CA LEU A 43 -5.871 -4.972 -5.645 1.00 0.00 C ATOM 610 C LEU A 43 -5.005 -6.113 -6.169 1.00 0.00 C ATOM 611 O LEU A 43 -4.236 -6.695 -5.418 1.00 0.00 O ATOM 612 CB LEU A 43 -7.354 -5.380 -5.636 1.00 0.00 C ATOM 613 CG LEU A 43 -7.638 -6.735 -4.958 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.283 -6.744 -3.471 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.119 -7.067 -5.100 1.00 0.00 C ATOM 0 H LEU A 43 -6.612 -3.283 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.531 -4.767 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.928 -4.606 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.714 -5.420 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.011 -7.475 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.505 -7.724 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.221 -6.529 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.869 -5.985 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.325 -8.025 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.714 -6.288 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.379 -7.126 -6.157 1.00 0.00 H new ATOM 627 N LYS A 44 -5.110 -6.396 -7.465 1.00 0.00 N ATOM 628 CA LYS A 44 -4.473 -7.498 -8.143 1.00 0.00 C ATOM 629 C LYS A 44 -2.955 -7.468 -7.968 1.00 0.00 C ATOM 630 O LYS A 44 -2.341 -8.510 -7.753 1.00 0.00 O ATOM 631 CB LYS A 44 -4.953 -7.388 -9.604 1.00 0.00 C ATOM 632 CG LYS A 44 -4.030 -8.091 -10.588 1.00 0.00 C ATOM 633 CD LYS A 44 -4.463 -7.977 -12.055 1.00 0.00 C ATOM 634 CE LYS A 44 -4.313 -6.527 -12.537 1.00 0.00 C ATOM 635 NZ LYS A 44 -3.565 -6.414 -13.804 1.00 0.00 N ATOM 0 H LYS A 44 -5.674 -5.826 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.746 -8.469 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.953 -7.814 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.032 -6.336 -9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.027 -7.678 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.970 -9.146 -10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.857 -8.639 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.499 -8.299 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.303 -6.089 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.804 -5.945 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.496 -5.413 -14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.609 -6.805 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.061 -6.944 -14.549 1.00 0.00 H new ATOM 649 N GLN A 45 -2.338 -6.289 -8.076 1.00 0.00 N ATOM 650 CA GLN A 45 -0.903 -6.168 -7.894 1.00 0.00 C ATOM 651 C GLN A 45 -0.585 -6.514 -6.442 1.00 0.00 C ATOM 652 O GLN A 45 0.210 -7.397 -6.152 1.00 0.00 O ATOM 653 CB GLN A 45 -0.420 -4.756 -8.253 1.00 0.00 C ATOM 654 CG GLN A 45 -0.699 -4.367 -9.718 1.00 0.00 C ATOM 655 CD GLN A 45 0.100 -3.133 -10.155 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.856 -2.541 -9.382 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.020 -2.746 -11.417 1.00 0.00 N ATOM 0 H GLN A 45 -2.814 -5.412 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.379 -6.854 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.906 -4.036 -7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.651 -4.688 -8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.451 -5.206 -10.368 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.764 -4.171 -9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.604 -3.232 -12.061 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.582 -1.961 -11.746 1.00 0.00 H new ATOM 666 N VAL A 46 -1.209 -5.821 -5.503 1.00 0.00 N ATOM 667 CA VAL A 46 -1.030 -6.027 -4.078 1.00 0.00 C ATOM 668 C VAL A 46 -1.198 -7.506 -3.674 1.00 0.00 C ATOM 669 O VAL A 46 -0.389 -8.005 -2.889 1.00 0.00 O ATOM 670 CB VAL A 46 -1.968 -5.074 -3.317 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.643 -5.117 -1.827 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.866 -3.609 -3.785 1.00 0.00 C ATOM 0 H VAL A 46 -1.873 -5.078 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.003 -5.786 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.982 -5.419 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.309 -4.441 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.779 -6.132 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.609 -4.808 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.554 -2.993 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.847 -3.250 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.124 -3.546 -4.842 1.00 0.00 H new ATOM 682 N GLU A 47 -2.185 -8.223 -4.218 1.00 0.00 N ATOM 683 CA GLU A 47 -2.386 -9.651 -3.973 1.00 0.00 C ATOM 684 C GLU A 47 -1.114 -10.447 -4.316 1.00 0.00 C ATOM 685 O GLU A 47 -0.695 -11.314 -3.545 1.00 0.00 O ATOM 686 CB GLU A 47 -3.633 -10.150 -4.743 1.00 0.00 C ATOM 687 CG GLU A 47 -4.934 -9.707 -4.046 1.00 0.00 C ATOM 688 CD GLU A 47 -6.233 -10.204 -4.705 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.350 -10.238 -5.952 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.184 -10.522 -3.950 1.00 0.00 O ATOM 0 H GLU A 47 -2.877 -7.820 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.575 -9.814 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.613 -9.763 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.608 -11.237 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.912 -10.058 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.956 -8.618 -4.012 1.00 0.00 H new ATOM 697 N LYS A 48 -0.445 -10.082 -5.414 1.00 0.00 N ATOM 698 CA LYS A 48 0.796 -10.685 -5.896 1.00 0.00 C ATOM 699 C LYS A 48 1.969 -10.307 -4.999 1.00 0.00 C ATOM 700 O LYS A 48 2.836 -11.135 -4.736 1.00 0.00 O ATOM 701 CB LYS A 48 1.009 -10.222 -7.357 1.00 0.00 C ATOM 702 CG LYS A 48 2.429 -10.360 -7.910 1.00 0.00 C ATOM 703 CD LYS A 48 2.758 -11.826 -8.123 1.00 0.00 C ATOM 704 CE LYS A 48 4.217 -12.052 -8.512 1.00 0.00 C ATOM 705 NZ LYS A 48 4.410 -13.471 -8.858 1.00 0.00 N ATOM 0 H LYS A 48 -0.770 -9.325 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 48 0.730 -11.773 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.335 -10.790 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.713 -9.176 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.517 -9.818 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.143 -9.914 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.540 -12.379 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.112 -12.230 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.483 -11.419 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.873 -11.773 -7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.402 -13.632 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.171 -14.064 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.793 -13.721 -9.657 1.00 0.00 H new ATOM 719 N ALA A 49 2.051 -9.058 -4.550 1.00 0.00 N ATOM 720 CA ALA A 49 3.140 -8.645 -3.676 1.00 0.00 C ATOM 721 C ALA A 49 3.053 -9.302 -2.301 1.00 0.00 C ATOM 722 O ALA A 49 4.082 -9.501 -1.649 1.00 0.00 O ATOM 723 CB ALA A 49 3.098 -7.142 -3.489 1.00 0.00 C ATOM 0 H ALA A 49 1.382 -8.322 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 49 4.071 -8.956 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.913 -6.834 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.204 -6.652 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.146 -6.858 -3.041 1.00 0.00 H new ATOM 729 N ASN A 50 1.841 -9.604 -1.836 1.00 0.00 N ATOM 730 CA ASN A 50 1.659 -10.349 -0.603 1.00 0.00 C ATOM 731 C ASN A 50 2.283 -11.737 -0.752 1.00 0.00 C ATOM 732 O ASN A 50 3.038 -12.139 0.123 1.00 0.00 O ATOM 733 CB ASN A 50 0.179 -10.395 -0.224 1.00 0.00 C ATOM 734 CG ASN A 50 -0.056 -11.324 0.957 1.00 0.00 C ATOM 735 OD1 ASN A 50 0.028 -12.536 0.831 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.374 -10.794 2.123 1.00 0.00 N ATOM 0 H ASN A 50 0.972 -9.341 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 50 2.171 -9.849 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.167 -9.392 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.408 -10.732 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.551 -11.397 2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.442 -9.781 2.221 1.00 0.00 H new ATOM 743 N GLU A 51 2.074 -12.430 -1.876 1.00 0.00 N ATOM 744 CA GLU A 51 2.709 -13.729 -2.133 1.00 0.00 C ATOM 745 C GLU A 51 4.236 -13.662 -2.095 1.00 0.00 C ATOM 746 O GLU A 51 4.902 -14.624 -1.710 1.00 0.00 O ATOM 747 CB GLU A 51 2.332 -14.232 -3.525 1.00 0.00 C ATOM 748 CG GLU A 51 0.941 -14.831 -3.573 1.00 0.00 C ATOM 749 CD GLU A 51 0.762 -15.439 -4.959 1.00 0.00 C ATOM 750 OE1 GLU A 51 1.299 -16.539 -5.213 1.00 0.00 O ATOM 751 OE2 GLU A 51 0.264 -14.741 -5.872 1.00 0.00 O ATOM 0 H GLU A 51 1.465 -12.110 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 51 2.355 -14.393 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.392 -13.406 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.057 -14.981 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.822 -15.591 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.186 -14.067 -3.387 1.00 0.00 H new ATOM 758 N ALA A 52 4.787 -12.530 -2.522 1.00 0.00 N ATOM 759 CA ALA A 52 6.223 -12.255 -2.534 1.00 0.00 C ATOM 760 C ALA A 52 6.759 -11.935 -1.135 1.00 0.00 C ATOM 761 O ALA A 52 7.950 -11.670 -0.990 1.00 0.00 O ATOM 762 CB ALA A 52 6.534 -11.111 -3.511 1.00 0.00 C ATOM 0 H ALA A 52 4.231 -11.754 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 52 6.730 -13.159 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.606 -10.915 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.216 -11.393 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.001 -10.212 -3.201 1.00 0.00 H new ATOM 768 N MET A 53 5.891 -11.932 -0.117 1.00 0.00 N ATOM 769 CA MET A 53 6.166 -11.565 1.269 1.00 0.00 C ATOM 770 C MET A 53 6.943 -10.243 1.330 1.00 0.00 C ATOM 771 O MET A 53 7.862 -10.058 2.140 1.00 0.00 O ATOM 772 CB MET A 53 6.867 -12.715 2.011 1.00 0.00 C ATOM 773 CG MET A 53 6.156 -14.067 1.871 1.00 0.00 C ATOM 774 SD MET A 53 4.723 -14.262 2.943 1.00 0.00 S ATOM 775 CE MET A 53 3.550 -15.002 1.790 1.00 0.00 C ATOM 0 H MET A 53 4.917 -12.204 -0.252 1.00 0.00 H new ATOM 0 HA MET A 53 5.223 -11.397 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.886 -12.810 1.635 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.940 -12.461 3.069 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.841 -14.193 0.835 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.868 -14.863 2.087 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.544 -14.943 2.206 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.583 -14.464 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.813 -16.047 1.624 1.00 0.00 H new ATOM 785 N ALA A 54 6.592 -9.343 0.408 1.00 0.00 N ATOM 786 CA ALA A 54 7.374 -8.173 0.073 1.00 0.00 C ATOM 787 C ALA A 54 6.767 -6.908 0.655 1.00 0.00 C ATOM 788 O ALA A 54 7.469 -5.908 0.741 1.00 0.00 O ATOM 789 CB ALA A 54 7.433 -8.048 -1.452 1.00 0.00 C ATOM 0 H ALA A 54 5.732 -9.419 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 54 8.372 -8.290 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.019 -7.170 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.899 -8.939 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.423 -7.946 -1.848 1.00 0.00 H new ATOM 795 N ILE A 55 5.480 -6.902 1.002 1.00 0.00 N ATOM 796 CA ILE A 55 4.780 -5.704 1.438 1.00 0.00 C ATOM 797 C ILE A 55 5.299 -5.327 2.813 1.00 0.00 C ATOM 798 O ILE A 55 5.065 -6.049 3.783 1.00 0.00 O ATOM 799 CB ILE A 55 3.252 -5.898 1.406 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.822 -6.085 -0.056 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.564 -4.700 2.083 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.339 -6.387 -0.231 1.00 0.00 C ATOM 0 H ILE A 55 4.894 -7.737 0.987 1.00 0.00 H new ATOM 0 HA ILE A 55 4.978 -4.881 0.751 1.00 0.00 H new ATOM 0 HB ILE A 55 2.952 -6.786 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.067 -5.182 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.402 -6.897 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.483 -4.840 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.897 -4.626 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.823 -3.784 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.114 -6.506 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.090 -7.307 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.750 -5.565 0.175 1.00 0.00 H new ATOM 814 N ASP A 56 5.970 -4.179 2.881 1.00 0.00 N ATOM 815 CA ASP A 56 6.392 -3.625 4.162 1.00 0.00 C ATOM 816 C ASP A 56 5.280 -2.787 4.761 1.00 0.00 C ATOM 817 O ASP A 56 5.039 -2.911 5.958 1.00 0.00 O ATOM 818 CB ASP A 56 7.665 -2.775 4.104 1.00 0.00 C ATOM 819 CG ASP A 56 8.290 -2.762 5.505 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.711 -3.851 5.969 1.00 0.00 O ATOM 821 OD2 ASP A 56 8.365 -1.698 6.154 1.00 0.00 O ATOM 0 H ASP A 56 6.231 -3.619 2.069 1.00 0.00 H new ATOM 0 HA ASP A 56 6.621 -4.491 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.366 -3.187 3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.431 -1.760 3.781 1.00 0.00 H new ATOM 826 N THR A 57 4.590 -1.972 3.950 1.00 0.00 N ATOM 827 CA THR A 57 3.534 -1.078 4.405 1.00 0.00 C ATOM 828 C THR A 57 2.423 -1.068 3.351 1.00 0.00 C ATOM 829 O THR A 57 2.695 -0.789 2.187 1.00 0.00 O ATOM 830 CB THR A 57 4.125 0.322 4.658 1.00 0.00 C ATOM 831 OG1 THR A 57 5.186 0.247 5.592 1.00 0.00 O ATOM 832 CG2 THR A 57 3.081 1.282 5.226 1.00 0.00 C ATOM 0 H THR A 57 4.758 -1.920 2.945 1.00 0.00 H new ATOM 0 HA THR A 57 3.103 -1.417 5.347 1.00 0.00 H new ATOM 0 HB THR A 57 4.477 0.692 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.553 1.143 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.536 2.259 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.256 1.381 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.705 0.893 6.172 1.00 0.00 H new ATOM 840 N LEU A 58 1.182 -1.371 3.738 1.00 0.00 N ATOM 841 CA LEU A 58 0.003 -1.517 2.886 1.00 0.00 C ATOM 842 C LEU A 58 -0.938 -0.357 3.150 1.00 0.00 C ATOM 843 O LEU A 58 -1.354 -0.169 4.289 1.00 0.00 O ATOM 844 CB LEU A 58 -0.702 -2.829 3.257 1.00 0.00 C ATOM 845 CG LEU A 58 -2.073 -3.037 2.585 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.928 -3.500 1.140 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.863 -4.073 3.375 1.00 0.00 C ATOM 0 H LEU A 58 0.961 -1.531 4.721 1.00 0.00 H new ATOM 0 HA LEU A 58 0.291 -1.527 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.052 -3.662 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.834 -2.861 4.338 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.598 -2.082 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.916 -3.636 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.378 -2.751 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.386 -4.445 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.835 -4.225 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.315 -5.015 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.005 -3.721 4.397 1.00 0.00 H new ATOM 859 N LEU A 59 -1.323 0.371 2.104 1.00 0.00 N ATOM 860 CA LEU A 59 -2.201 1.532 2.146 1.00 0.00 C ATOM 861 C LEU A 59 -3.542 1.126 1.545 1.00 0.00 C ATOM 862 O LEU A 59 -3.570 0.623 0.424 1.00 0.00 O ATOM 863 CB LEU A 59 -1.617 2.761 1.396 1.00 0.00 C ATOM 864 CG LEU A 59 -0.178 2.717 0.849 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.131 3.962 -0.002 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.895 2.664 1.940 1.00 0.00 C ATOM 0 H LEU A 59 -1.013 0.153 1.157 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.315 1.844 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.277 2.971 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.681 3.614 2.072 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.140 1.800 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.154 3.903 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.560 4.008 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.018 4.858 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.882 2.635 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.816 3.549 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.752 1.770 2.548 1.00 0.00 H new ATOM 878 N ILE A 60 -4.647 1.350 2.256 1.00 0.00 N ATOM 879 CA ILE A 60 -5.976 1.120 1.700 1.00 0.00 C ATOM 880 C ILE A 60 -6.932 2.192 2.212 1.00 0.00 C ATOM 881 O ILE A 60 -6.847 2.576 3.382 1.00 0.00 O ATOM 882 CB ILE A 60 -6.437 -0.310 2.045 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.579 -0.731 1.115 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.873 -0.452 3.510 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.911 -2.217 1.227 1.00 0.00 C ATOM 0 H ILE A 60 -4.646 1.690 3.218 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.959 1.197 0.613 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.580 -0.967 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.468 -0.145 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.308 -0.500 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.188 -1.478 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.037 -0.203 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.704 0.225 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.727 -2.460 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.032 -2.807 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.211 -2.447 2.249 1.00 0.00 H new ATOM 897 N SER A 61 -7.849 2.645 1.359 1.00 0.00 N ATOM 898 CA SER A 61 -8.973 3.474 1.756 1.00 0.00 C ATOM 899 C SER A 61 -9.856 2.671 2.706 1.00 0.00 C ATOM 900 O SER A 61 -10.173 1.508 2.431 1.00 0.00 O ATOM 901 CB SER A 61 -9.730 3.954 0.502 1.00 0.00 C ATOM 902 OG SER A 61 -10.175 5.290 0.694 1.00 0.00 O ATOM 0 H SER A 61 -7.827 2.441 0.360 1.00 0.00 H new ATOM 0 HA SER A 61 -8.637 4.367 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.079 3.899 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.581 3.301 0.307 1.00 0.00 H new ATOM 0 HG SER A 61 -10.968 5.453 0.142 1.00 0.00 H new ATOM 908 N ASP A 62 -10.260 3.284 3.820 1.00 0.00 N ATOM 909 CA ASP A 62 -11.189 2.673 4.755 1.00 0.00 C ATOM 910 C ASP A 62 -12.463 2.292 4.022 1.00 0.00 C ATOM 911 O ASP A 62 -12.907 1.174 4.209 1.00 0.00 O ATOM 912 CB ASP A 62 -11.471 3.529 5.996 1.00 0.00 C ATOM 913 CG ASP A 62 -12.446 4.687 5.766 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.059 5.702 5.147 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.581 4.584 6.276 1.00 0.00 O ATOM 0 H ASP A 62 -9.949 4.216 4.094 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.715 1.773 5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.870 2.886 6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.528 3.933 6.364 1.00 0.00 H new ATOM 920 N GLU A 63 -12.979 3.098 3.096 1.00 0.00 N ATOM 921 CA GLU A 63 -14.143 2.715 2.290 1.00 0.00 C ATOM 922 C GLU A 63 -14.022 1.319 1.646 1.00 0.00 C ATOM 923 O GLU A 63 -15.011 0.598 1.598 1.00 0.00 O ATOM 924 CB GLU A 63 -14.417 3.780 1.221 1.00 0.00 C ATOM 925 CG GLU A 63 -13.262 3.903 0.234 1.00 0.00 C ATOM 926 CD GLU A 63 -13.375 5.125 -0.655 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.258 5.135 -1.540 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.533 6.038 -0.448 1.00 0.00 O ATOM 0 H GLU A 63 -12.610 4.025 2.883 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.987 2.654 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.330 3.527 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.587 4.743 1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.323 3.946 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.226 3.009 -0.388 1.00 0.00 H new ATOM 935 N LEU A 64 -12.833 0.892 1.199 1.00 0.00 N ATOM 936 CA LEU A 64 -12.638 -0.443 0.626 1.00 0.00 C ATOM 937 C LEU A 64 -12.557 -1.488 1.736 1.00 0.00 C ATOM 938 O LEU A 64 -13.097 -2.589 1.621 1.00 0.00 O ATOM 939 CB LEU A 64 -11.347 -0.508 -0.200 1.00 0.00 C ATOM 940 CG LEU A 64 -11.254 0.474 -1.377 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.943 0.203 -2.115 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.429 0.359 -2.353 1.00 0.00 C ATOM 0 H LEU A 64 -11.986 1.459 1.225 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.490 -0.649 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.503 -0.328 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.237 -1.521 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.288 1.487 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.851 0.888 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.105 0.351 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.937 -0.824 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.303 1.080 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.461 -0.649 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.361 0.564 -1.826 1.00 0.00 H new ATOM 954 N PHE A 65 -11.903 -1.132 2.840 1.00 0.00 N ATOM 955 CA PHE A 65 -11.833 -1.938 4.046 1.00 0.00 C ATOM 956 C PHE A 65 -13.233 -2.271 4.581 1.00 0.00 C ATOM 957 O PHE A 65 -13.428 -3.332 5.175 1.00 0.00 O ATOM 958 CB PHE A 65 -11.039 -1.141 5.092 1.00 0.00 C ATOM 959 CG PHE A 65 -10.611 -1.890 6.329 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.883 -3.089 6.228 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.971 -1.373 7.588 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.567 -3.811 7.393 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.686 -2.118 8.746 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.978 -3.331 8.650 1.00 0.00 C ATOM 0 H PHE A 65 -11.395 -0.251 2.917 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.343 -2.886 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.147 -0.741 4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.644 -0.289 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.568 -3.453 5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.461 -0.414 7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.009 -4.733 7.323 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.011 -1.759 9.711 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.750 -3.894 9.543 1.00 0.00 H new ATOM 974 N ARG A 66 -14.217 -1.393 4.361 1.00 0.00 N ATOM 975 CA ARG A 66 -15.617 -1.513 4.733 1.00 0.00 C ATOM 976 C ARG A 66 -16.486 -1.372 3.471 1.00 0.00 C ATOM 977 O ARG A 66 -17.513 -0.686 3.490 1.00 0.00 O ATOM 978 CB ARG A 66 -15.940 -0.548 5.899 1.00 0.00 C ATOM 979 CG ARG A 66 -14.996 0.649 6.084 1.00 0.00 C ATOM 980 CD ARG A 66 -15.417 1.622 7.181 1.00 0.00 C ATOM 981 NE ARG A 66 -14.644 1.413 8.416 1.00 0.00 N ATOM 982 CZ ARG A 66 -14.902 0.547 9.401 1.00 0.00 C ATOM 983 NH1 ARG A 66 -16.051 -0.114 9.432 1.00 0.00 N ATOM 984 NH2 ARG A 66 -13.983 0.331 10.334 1.00 0.00 N ATOM 0 H ARG A 66 -14.033 -0.513 3.880 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.852 -2.500 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.950 -0.166 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.946 -1.123 6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.997 0.276 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.928 1.191 5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.278 2.646 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.479 1.498 7.391 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.816 1.996 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.746 0.037 8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.240 -0.773 10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.091 0.824 10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.169 -0.328 11.090 1.00 0.00 H new ATOM 998 N HIS A 67 -16.063 -2.004 2.368 1.00 0.00 N ATOM 999 CA HIS A 67 -16.785 -1.943 1.098 1.00 0.00 C ATOM 1000 C HIS A 67 -18.184 -2.533 1.289 1.00 0.00 C ATOM 1001 O HIS A 67 -18.393 -3.452 2.093 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.994 -2.653 -0.015 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.469 -2.390 -1.421 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.652 -2.873 -1.971 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.738 -1.785 -2.402 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.613 -2.559 -3.274 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.474 -1.903 -3.560 1.00 0.00 N ATOM 0 H HIS A 67 -15.214 -2.569 2.335 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.894 -0.905 0.782 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.949 -2.352 0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.030 -3.727 0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.775 -1.309 -2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.385 -2.798 -3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.202 -1.553 -4.478 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.146 -1.983 0.552 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.541 -2.388 0.597 1.00 0.00 C ATOM 1017 C GLN A 68 -20.744 -3.851 0.187 1.00 0.00 C ATOM 1018 O GLN A 68 -21.608 -4.526 0.755 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.387 -1.412 -0.243 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.955 -1.210 -1.714 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.852 -1.920 -2.730 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.301 -3.042 -2.518 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -22.149 -1.272 -3.844 1.00 0.00 N ATOM 0 H GLN A 68 -18.969 -1.225 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.882 -2.336 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.419 -1.763 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.377 -0.441 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.946 -0.143 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.933 -1.569 -1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.769 -0.340 -4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.758 -1.705 -4.539 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.962 -4.340 -0.773 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.017 -5.701 -1.280 1.00 0.00 C ATOM 1034 C ASP A 69 -19.133 -6.586 -0.418 1.00 0.00 C ATOM 1035 O ASP A 69 -17.915 -6.424 -0.410 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.524 -5.754 -2.727 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.342 -7.192 -3.221 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.010 -8.117 -2.695 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.549 -7.378 -4.168 1.00 0.00 O ATOM 0 H ASP A 69 -19.248 -3.775 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.049 -6.051 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.235 -5.237 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.576 -5.221 -2.807 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.730 -7.542 0.290 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.016 -8.464 1.160 1.00 0.00 C ATOM 1046 C VAL A 70 -17.949 -9.251 0.394 1.00 0.00 C ATOM 1047 O VAL A 70 -16.902 -9.515 0.978 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.029 -9.377 1.880 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.365 -10.436 2.771 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -20.928 -8.515 2.774 1.00 0.00 C ATOM 0 H VAL A 70 -20.738 -7.697 0.273 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.475 -7.897 1.918 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.590 -9.895 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.134 -11.044 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.724 -11.073 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.765 -9.943 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.648 -9.152 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.316 -7.993 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.460 -7.787 2.161 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.163 -9.609 -0.878 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.200 -10.389 -1.653 1.00 0.00 C ATOM 1062 C ALA A 71 -15.926 -9.578 -1.898 1.00 0.00 C ATOM 1063 O ALA A 71 -14.832 -9.990 -1.524 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.827 -10.844 -2.975 1.00 0.00 C ATOM 0 H ALA A 71 -19.008 -9.365 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.927 -11.277 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.099 -11.424 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.702 -11.461 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.127 -9.971 -3.555 1.00 0.00 H new ATOM 1070 N THR A 72 -16.057 -8.403 -2.492 1.00 0.00 N ATOM 1071 CA THR A 72 -14.960 -7.478 -2.750 1.00 0.00 C ATOM 1072 C THR A 72 -14.332 -7.014 -1.436 1.00 0.00 C ATOM 1073 O THR A 72 -13.106 -7.056 -1.312 1.00 0.00 O ATOM 1074 CB THR A 72 -15.516 -6.342 -3.622 1.00 0.00 C ATOM 1075 OG1 THR A 72 -15.528 -6.809 -4.958 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.745 -5.033 -3.568 1.00 0.00 C ATOM 0 H THR A 72 -16.958 -8.054 -2.819 1.00 0.00 H new ATOM 0 HA THR A 72 -14.143 -7.952 -3.294 1.00 0.00 H new ATOM 0 HB THR A 72 -16.505 -6.103 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.431 -7.109 -5.192 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.223 -4.302 -4.220 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.737 -4.657 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.721 -5.200 -3.901 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.130 -6.643 -0.426 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.623 -6.344 0.902 1.00 0.00 C ATOM 1086 C ARG A 73 -13.746 -7.487 1.393 1.00 0.00 C ATOM 1087 O ARG A 73 -12.655 -7.211 1.885 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.780 -6.074 1.871 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.200 -5.586 3.195 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.281 -5.352 4.236 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.681 -4.973 5.518 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.340 -4.556 6.597 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.666 -4.495 6.598 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.649 -4.186 7.666 1.00 0.00 N ATOM 0 H ARG A 73 -16.141 -6.545 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.013 -5.442 0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.456 -5.326 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.364 -6.981 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.487 -6.320 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.648 -4.660 3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.957 -4.567 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.878 -6.256 4.359 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.665 -5.034 5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.190 -4.769 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.161 -4.174 7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.630 -4.224 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.137 -3.864 8.502 1.00 0.00 H new ATOM 1108 N SER A 74 -14.182 -8.740 1.222 1.00 0.00 N ATOM 1109 CA SER A 74 -13.449 -9.897 1.714 1.00 0.00 C ATOM 1110 C SER A 74 -12.001 -9.837 1.245 1.00 0.00 C ATOM 1111 O SER A 74 -11.094 -9.983 2.053 1.00 0.00 O ATOM 1112 CB SER A 74 -14.146 -11.220 1.336 1.00 0.00 C ATOM 1113 OG SER A 74 -13.800 -11.725 0.060 1.00 0.00 O ATOM 0 H SER A 74 -15.050 -8.973 0.740 1.00 0.00 H new ATOM 0 HA SER A 74 -13.443 -9.868 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.903 -11.971 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.225 -11.070 1.373 1.00 0.00 H new ATOM 0 HG SER A 74 -14.340 -11.280 -0.626 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.788 -9.538 -0.037 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.481 -9.524 -0.681 1.00 0.00 C ATOM 1121 C ARG A 75 -9.598 -8.495 -0.012 1.00 0.00 C ATOM 1122 O ARG A 75 -8.440 -8.786 0.274 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.631 -9.179 -2.174 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.455 -10.209 -2.954 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.640 -9.780 -4.411 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.308 -10.845 -5.167 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.922 -10.758 -6.347 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.114 -9.588 -6.944 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -13.362 -11.865 -6.922 1.00 0.00 N ATOM 0 H ARG A 75 -12.547 -9.292 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.028 -10.511 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.102 -8.201 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.641 -9.101 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.959 -11.179 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.430 -10.332 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.230 -8.865 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.672 -9.557 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.302 -11.769 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.789 -8.729 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.587 -9.548 -7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.229 -12.766 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.834 -11.818 -7.825 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.127 -7.294 0.223 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.413 -6.267 0.951 1.00 0.00 C ATOM 1145 C TYR A 76 -9.060 -6.738 2.353 1.00 0.00 C ATOM 1146 O TYR A 76 -7.874 -6.809 2.662 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.214 -4.965 0.939 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.394 -4.417 -0.465 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.278 -4.225 -1.302 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.680 -4.149 -0.956 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.447 -3.779 -2.620 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.854 -3.706 -2.278 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.740 -3.536 -3.128 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.888 -3.158 -4.430 1.00 0.00 O ATOM 0 H TYR A 76 -11.058 -7.015 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.464 -6.064 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.192 -5.138 1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.707 -4.222 1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.285 -4.423 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.539 -4.284 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.584 -3.621 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.847 -3.494 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.839 -3.030 -4.627 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.032 -7.063 3.209 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.729 -7.376 4.610 1.00 0.00 C ATOM 1166 C VAL A 77 -8.796 -8.589 4.709 1.00 0.00 C ATOM 1167 O VAL A 77 -7.882 -8.596 5.527 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.001 -7.523 5.473 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.004 -6.408 5.172 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.737 -8.853 5.292 1.00 0.00 C ATOM 0 H VAL A 77 -11.021 -7.116 2.964 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.195 -6.524 5.030 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.634 -7.471 6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.889 -6.537 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.548 -5.441 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.290 -6.450 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.617 -8.872 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.045 -8.960 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.074 -9.675 5.561 1.00 0.00 H new ATOM 1180 N ARG A 78 -8.968 -9.585 3.835 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.115 -10.757 3.754 1.00 0.00 C ATOM 1182 C ARG A 78 -6.685 -10.375 3.452 1.00 0.00 C ATOM 1183 O ARG A 78 -5.768 -10.873 4.099 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.622 -11.665 2.629 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.823 -12.489 3.088 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.329 -13.891 3.423 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.249 -14.575 4.332 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.269 -14.438 5.663 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.347 -13.705 6.284 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.216 -15.032 6.374 1.00 0.00 N ATOM 0 H ARG A 78 -9.725 -9.591 3.151 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.146 -11.269 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.900 -11.060 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.822 -12.331 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.289 -12.030 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.580 -12.528 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.223 -14.470 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.341 -13.832 3.879 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.932 -15.209 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.616 -13.241 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.372 -13.607 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.928 -15.593 5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.233 -14.929 7.389 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.490 -9.541 2.439 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.178 -9.090 2.027 1.00 0.00 C ATOM 1206 C LEU A 79 -4.537 -8.269 3.141 1.00 0.00 C ATOM 1207 O LEU A 79 -3.372 -8.482 3.450 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.357 -8.313 0.726 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.068 -7.782 0.090 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.063 -8.898 -0.207 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.505 -7.113 -1.213 1.00 0.00 C ATOM 0 H LEU A 79 -7.250 -9.157 1.878 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.497 -9.921 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.858 -8.958 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.022 -7.470 0.915 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.562 -7.096 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.167 -8.470 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.797 -9.405 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.509 -9.615 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.632 -6.708 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.993 -7.848 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.203 -6.305 -0.991 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.301 -7.380 3.778 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.884 -6.609 4.944 1.00 0.00 C ATOM 1225 C VAL A 80 -4.380 -7.549 6.047 1.00 0.00 C ATOM 1226 O VAL A 80 -3.262 -7.391 6.529 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.037 -5.687 5.399 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.760 -5.030 6.754 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.320 -4.604 4.344 1.00 0.00 C ATOM 0 H VAL A 80 -6.256 -7.172 3.485 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.046 -5.961 4.689 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.916 -6.321 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.601 -4.392 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.628 -5.802 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.854 -4.427 6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.136 -3.967 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.426 -3.999 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.600 -5.077 3.403 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.188 -8.521 6.470 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.852 -9.438 7.548 1.00 0.00 C ATOM 1241 C ASP A 81 -3.643 -10.295 7.170 1.00 0.00 C ATOM 1242 O ASP A 81 -2.767 -10.514 8.003 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.074 -10.321 7.862 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.910 -9.768 9.016 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.479 -9.934 10.183 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.969 -9.140 8.788 1.00 0.00 O ATOM 0 H ASP A 81 -6.108 -8.692 6.064 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.587 -8.867 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.698 -10.404 6.972 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.738 -11.328 8.110 1.00 0.00 H new ATOM 1251 N SER A 82 -3.565 -10.740 5.915 1.00 0.00 N ATOM 1252 CA SER A 82 -2.482 -11.560 5.398 1.00 0.00 C ATOM 1253 C SER A 82 -1.169 -10.774 5.356 1.00 0.00 C ATOM 1254 O SER A 82 -0.124 -11.343 5.649 1.00 0.00 O ATOM 1255 CB SER A 82 -2.915 -12.082 4.027 1.00 0.00 C ATOM 1256 OG SER A 82 -1.948 -12.887 3.393 1.00 0.00 O ATOM 0 H SER A 82 -4.277 -10.531 5.215 1.00 0.00 H new ATOM 0 HA SER A 82 -2.285 -12.409 6.053 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.834 -12.657 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.147 -11.234 3.383 1.00 0.00 H new ATOM 0 HG SER A 82 -2.290 -13.186 2.525 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.193 -9.477 5.036 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.005 -8.637 5.128 1.00 0.00 C ATOM 1264 C VAL A 83 0.528 -8.670 6.565 1.00 0.00 C ATOM 1265 O VAL A 83 1.736 -8.782 6.746 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.324 -7.222 4.590 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.672 -6.144 5.030 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.323 -7.249 3.052 1.00 0.00 C ATOM 0 H VAL A 83 -2.027 -8.989 4.710 1.00 0.00 H new ATOM 0 HA VAL A 83 0.800 -9.016 4.498 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.298 -6.962 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.376 -5.182 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.680 -6.078 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.669 -6.404 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.548 -6.253 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.658 -7.562 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.079 -7.951 2.700 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.338 -8.642 7.583 1.00 0.00 N ATOM 1279 CA LYS A 84 0.109 -8.715 8.976 1.00 0.00 C ATOM 1280 C LYS A 84 0.751 -10.062 9.270 1.00 0.00 C ATOM 1281 O LYS A 84 1.791 -10.098 9.919 1.00 0.00 O ATOM 1282 CB LYS A 84 -1.040 -8.442 9.950 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.627 -7.059 9.667 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.666 -6.612 10.687 1.00 0.00 C ATOM 1285 CE LYS A 84 -4.075 -7.133 10.417 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.310 -8.477 10.992 1.00 0.00 N ATOM 0 H LYS A 84 -1.349 -8.570 7.468 1.00 0.00 H new ATOM 0 HA LYS A 84 0.859 -7.937 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.811 -9.205 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.680 -8.493 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.818 -6.329 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.082 -7.063 8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.352 -6.943 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.692 -5.523 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.801 -6.434 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.244 -7.169 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.305 -8.745 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.695 -9.169 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.095 -8.462 12.009 1.00 0.00 H new ATOM 1300 N GLU A 85 0.175 -11.156 8.766 1.00 0.00 N ATOM 1301 CA GLU A 85 0.792 -12.478 8.884 1.00 0.00 C ATOM 1302 C GLU A 85 2.204 -12.466 8.290 1.00 0.00 C ATOM 1303 O GLU A 85 3.117 -13.060 8.870 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.052 -13.583 8.230 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.499 -13.663 8.738 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.913 -15.072 9.154 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.866 -16.020 8.334 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.337 -15.217 10.325 1.00 0.00 O ATOM 0 H GLU A 85 -0.718 -11.152 8.272 1.00 0.00 H new ATOM 0 HA GLU A 85 0.850 -12.706 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.067 -13.422 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.434 -14.544 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.617 -12.991 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.172 -13.309 7.957 1.00 0.00 H new ATOM 1315 N ASN A 86 2.396 -11.774 7.161 1.00 0.00 N ATOM 1316 CA ASN A 86 3.678 -11.651 6.465 1.00 0.00 C ATOM 1317 C ASN A 86 4.648 -10.687 7.164 1.00 0.00 C ATOM 1318 O ASN A 86 5.776 -10.539 6.688 1.00 0.00 O ATOM 1319 CB ASN A 86 3.502 -11.183 5.011 1.00 0.00 C ATOM 1320 CG ASN A 86 2.650 -12.069 4.124 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.159 -13.131 4.503 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.516 -11.647 2.883 1.00 0.00 N ATOM 0 H ASN A 86 1.641 -11.271 6.695 1.00 0.00 H new ATOM 0 HA ASN A 86 4.102 -12.655 6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 86 3.063 -10.185 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.489 -11.092 4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.994 -12.206 2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.934 -10.762 2.597 1.00 0.00 H new ATOM 1329 N ALA A 87 4.233 -10.035 8.255 1.00 0.00 N ATOM 1330 CA ALA A 87 4.953 -9.048 9.061 1.00 0.00 C ATOM 1331 C ALA A 87 4.943 -7.624 8.464 1.00 0.00 C ATOM 1332 O ALA A 87 5.860 -6.821 8.697 1.00 0.00 O ATOM 1333 CB ALA A 87 6.356 -9.536 9.463 1.00 0.00 C ATOM 0 H ALA A 87 3.299 -10.201 8.629 1.00 0.00 H new ATOM 0 HA ALA A 87 4.387 -8.953 9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.851 -8.770 10.060 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.269 -10.451 10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.943 -9.733 8.566 1.00 0.00 H new ATOM 1339 N GLY A 88 3.920 -7.302 7.671 1.00 0.00 N ATOM 1340 CA GLY A 88 3.733 -6.020 7.014 1.00 0.00 C ATOM 1341 C GLY A 88 2.817 -5.085 7.812 1.00 0.00 C ATOM 1342 O GLY A 88 1.817 -5.496 8.406 1.00 0.00 O ATOM 0 H GLY A 88 3.169 -7.961 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.702 -5.542 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.309 -6.181 6.023 1.00 0.00 H new ATOM 1346 N THR A 89 3.142 -3.797 7.775 1.00 0.00 N ATOM 1347 CA THR A 89 2.444 -2.699 8.415 1.00 0.00 C ATOM 1348 C THR A 89 1.158 -2.385 7.647 1.00 0.00 C ATOM 1349 O THR A 89 1.178 -2.216 6.427 1.00 0.00 O ATOM 1350 CB THR A 89 3.397 -1.492 8.456 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.528 -1.815 9.245 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.741 -0.252 9.058 1.00 0.00 C ATOM 0 H THR A 89 3.960 -3.475 7.258 1.00 0.00 H new ATOM 0 HA THR A 89 2.154 -2.957 9.434 1.00 0.00 H new ATOM 0 HB THR A 89 3.676 -1.269 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.138 -1.048 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.456 0.571 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.872 0.026 8.461 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.426 -0.466 10.079 1.00 0.00 H new ATOM 1360 N VAL A 90 0.041 -2.255 8.353 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.226 -1.813 7.795 1.00 0.00 C ATOM 1362 C VAL A 90 -1.361 -0.289 7.991 1.00 0.00 C ATOM 1363 O VAL A 90 -0.840 0.292 8.949 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.344 -2.693 8.408 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.742 -2.152 8.110 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.242 -4.113 7.827 1.00 0.00 C ATOM 0 H VAL A 90 -0.007 -2.459 9.351 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.301 -1.951 6.716 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.203 -2.691 9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.489 -2.805 8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.840 -1.148 8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.896 -2.116 7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.026 -4.738 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.360 -4.072 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.268 -4.537 8.070 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.045 0.381 7.057 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.318 1.820 7.050 1.00 0.00 C ATOM 1378 C ARG A 91 -3.740 2.028 6.556 1.00 0.00 C ATOM 1379 O ARG A 91 -4.072 1.573 5.457 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.335 2.551 6.113 1.00 0.00 C ATOM 1381 CG ARG A 91 0.131 2.558 6.564 1.00 0.00 C ATOM 1382 CD ARG A 91 0.311 3.626 7.633 1.00 0.00 C ATOM 1383 NE ARG A 91 1.682 3.734 8.133 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.126 3.177 9.262 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.363 2.317 9.936 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.326 3.511 9.718 1.00 0.00 N ATOM 0 H ARG A 91 -2.443 -0.091 6.245 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.197 2.223 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.391 2.090 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.667 3.583 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.409 1.580 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.786 2.759 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.005 4.590 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.355 3.407 8.468 1.00 0.00 H new ATOM 0 HE ARG A 91 2.347 4.274 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.433 2.080 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.709 1.895 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.896 4.185 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.679 3.094 10.579 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.587 2.671 7.356 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.002 2.858 7.055 1.00 0.00 C ATOM 1402 C ILE A 92 -6.189 4.307 6.639 1.00 0.00 C ATOM 1403 O ILE A 92 -6.124 5.201 7.480 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.893 2.512 8.268 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.562 1.169 8.943 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.373 2.582 7.853 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.713 -0.046 8.032 1.00 0.00 C ATOM 0 H ILE A 92 -4.304 3.083 8.245 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.304 2.185 6.252 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.682 3.260 9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.538 1.205 9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.211 1.042 9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.003 2.338 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.606 3.589 7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.560 1.869 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.461 -0.950 8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.743 -0.111 7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.044 0.054 7.178 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.458 4.551 5.367 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.560 5.897 4.849 1.00 0.00 C ATOM 1421 C PHE A 93 -8.014 6.309 5.018 1.00 0.00 C ATOM 1422 O PHE A 93 -8.911 5.616 4.551 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.165 5.884 3.369 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.687 6.036 3.079 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.713 5.288 3.768 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.286 6.922 2.068 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.347 5.494 3.502 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.930 7.095 1.777 1.00 0.00 C ATOM 1429 CZ PHE A 93 -1.955 6.393 2.495 1.00 0.00 C ATOM 0 H PHE A 93 -6.611 3.822 4.670 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.904 6.596 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.508 4.947 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.700 6.688 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.015 4.555 4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.029 7.474 1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.600 4.961 4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.632 7.775 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.908 6.541 2.277 1.00 0.00 H new ATOM 1439 N SER A 94 -8.246 7.425 5.702 1.00 0.00 N ATOM 1440 CA SER A 94 -9.555 8.050 5.784 1.00 0.00 C ATOM 1441 C SER A 94 -9.862 8.618 4.404 1.00 0.00 C ATOM 1442 O SER A 94 -9.044 9.392 3.892 1.00 0.00 O ATOM 1443 CB SER A 94 -9.480 9.157 6.842 1.00 0.00 C ATOM 1444 OG SER A 94 -10.696 9.845 7.029 1.00 0.00 O ATOM 0 H SER A 94 -7.521 7.923 6.219 1.00 0.00 H new ATOM 0 HA SER A 94 -10.341 7.352 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.170 8.720 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.709 9.872 6.554 1.00 0.00 H new ATOM 0 HG SER A 94 -10.580 10.534 7.716 1.00 0.00 H new ATOM 1450 N SER A 95 -11.022 8.292 3.831 1.00 0.00 N ATOM 1451 CA SER A 95 -11.494 8.960 2.618 1.00 0.00 C ATOM 1452 C SER A 95 -11.560 10.496 2.838 1.00 0.00 C ATOM 1453 O SER A 95 -11.267 11.280 1.937 1.00 0.00 O ATOM 1454 CB SER A 95 -12.844 8.352 2.196 1.00 0.00 C ATOM 1455 OG SER A 95 -12.995 8.324 0.787 1.00 0.00 O ATOM 0 H SER A 95 -11.650 7.571 4.187 1.00 0.00 H new ATOM 0 HA SER A 95 -10.793 8.798 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.924 7.339 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.656 8.931 2.636 1.00 0.00 H new ATOM 0 HG SER A 95 -13.080 7.395 0.486 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.842 10.936 4.077 1.00 0.00 N ATOM 1462 CA LEU A 96 -11.969 12.345 4.483 1.00 0.00 C ATOM 1463 C LEU A 96 -10.635 13.110 4.481 1.00 0.00 C ATOM 1464 O LEU A 96 -10.609 14.303 4.797 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.563 12.462 5.904 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.770 11.567 6.233 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.164 11.779 7.699 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -14.966 11.858 5.324 1.00 0.00 C ATOM 0 H LEU A 96 -11.994 10.293 4.854 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.629 12.790 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.772 12.241 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.857 13.499 6.064 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.481 10.530 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.019 11.148 7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.325 11.515 8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.428 12.825 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.795 11.203 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.271 12.897 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.685 11.681 4.286 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.511 12.442 4.222 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.189 13.004 4.176 1.00 0.00 C ATOM 1482 C HIS A 97 -7.672 13.030 2.737 1.00 0.00 C ATOM 1483 O HIS A 97 -7.890 12.076 1.991 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.311 12.139 5.089 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.100 12.895 5.490 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.800 12.666 5.128 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.183 14.104 6.091 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.114 13.769 5.458 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.909 14.676 6.068 1.00 0.00 N ATOM 0 H HIS A 97 -9.514 11.440 4.030 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.179 14.038 4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.874 11.841 5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.024 11.224 4.571 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.427 11.822 4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.073 14.547 6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.062 13.914 5.262 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.922 14.071 2.350 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.491 14.238 0.959 1.00 0.00 C ATOM 1499 C VAL A 98 -5.547 13.118 0.508 1.00 0.00 C ATOM 1500 O VAL A 98 -5.404 12.856 -0.684 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.873 15.636 0.738 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.367 15.700 1.036 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -6.117 16.093 -0.705 1.00 0.00 C ATOM 0 H VAL A 98 -6.603 14.807 2.980 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.378 14.164 0.330 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.367 16.300 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.004 16.712 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.190 15.428 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.837 15.005 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.678 17.080 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.657 15.384 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.189 16.140 -0.895 1.00 0.00 H new ATOM 1513 N SER A 99 -4.878 12.438 1.436 1.00 0.00 N ATOM 1514 CA SER A 99 -4.073 11.276 1.109 1.00 0.00 C ATOM 1515 C SER A 99 -4.947 10.126 0.577 1.00 0.00 C ATOM 1516 O SER A 99 -4.440 9.286 -0.158 1.00 0.00 O ATOM 1517 CB SER A 99 -3.198 10.938 2.315 1.00 0.00 C ATOM 1518 OG SER A 99 -2.402 12.066 2.642 1.00 0.00 O ATOM 0 H SER A 99 -4.882 12.679 2.427 1.00 0.00 H new ATOM 0 HA SER A 99 -3.394 11.483 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.821 10.658 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.562 10.082 2.090 1.00 0.00 H new ATOM 0 HG SER A 99 -2.938 12.708 3.153 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.257 10.114 0.847 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.197 9.169 0.264 1.00 0.00 C ATOM 1526 C GLY A 100 -7.743 9.649 -1.073 1.00 0.00 C ATOM 1527 O GLY A 100 -7.937 8.832 -1.972 1.00 0.00 O ATOM 0 H GLY A 100 -6.695 10.775 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.704 8.206 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.024 9.009 0.956 1.00 0.00 H new ATOM 1531 N GLU A 101 -7.903 10.963 -1.253 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.177 11.551 -2.567 1.00 0.00 C ATOM 1533 C GLU A 101 -7.038 11.174 -3.527 1.00 0.00 C ATOM 1534 O GLU A 101 -7.267 10.833 -4.685 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.325 13.070 -2.478 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.479 13.500 -1.570 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.852 13.532 -2.246 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -11.290 12.516 -2.829 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.532 14.579 -2.136 1.00 0.00 O ATOM 0 H GLU A 101 -7.847 11.645 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.121 11.157 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.395 13.500 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.485 13.474 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.525 12.821 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.261 14.492 -1.175 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.801 11.190 -3.025 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.616 10.732 -3.732 1.00 0.00 C ATOM 1548 C GLN A 102 -4.691 9.231 -3.998 1.00 0.00 C ATOM 1549 O GLN A 102 -4.559 8.831 -5.152 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.358 11.125 -2.947 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.048 12.605 -3.179 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.030 13.173 -2.211 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -2.427 13.377 -0.975 1.00 0.00 O flip ATOM 1554 NE2 GLN A 102 -0.885 13.452 -2.556 1.00 0.00 N flip ATOM 0 H GLN A 102 -5.597 11.534 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.564 11.219 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.507 10.937 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.514 10.513 -3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.680 12.735 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.972 13.178 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.588 13.289 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.231 13.847 -1.880 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.940 8.394 -2.979 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.010 6.948 -3.177 1.00 0.00 C ATOM 1565 C LEU A 103 -6.044 6.573 -4.230 1.00 0.00 C ATOM 1566 O LEU A 103 -5.859 5.576 -4.919 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.344 6.202 -1.870 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.711 4.803 -1.779 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.191 4.800 -1.808 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.142 4.109 -0.483 1.00 0.00 C ATOM 0 H LEU A 103 -5.095 8.696 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.020 6.645 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.006 6.800 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.426 6.108 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.066 4.278 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.828 3.775 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.844 5.246 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.810 5.377 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.687 3.120 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.819 4.702 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.227 4.010 -0.467 1.00 0.00 H new ATOM 1582 N SER A 104 -7.111 7.356 -4.364 1.00 0.00 N ATOM 1583 CA SER A 104 -8.180 7.177 -5.339 1.00 0.00 C ATOM 1584 C SER A 104 -7.648 7.043 -6.769 1.00 0.00 C ATOM 1585 O SER A 104 -8.137 6.185 -7.507 1.00 0.00 O ATOM 1586 CB SER A 104 -9.138 8.365 -5.257 1.00 0.00 C ATOM 1587 OG SER A 104 -10.388 8.019 -5.823 1.00 0.00 O ATOM 0 H SER A 104 -7.260 8.170 -3.768 1.00 0.00 H new ATOM 0 HA SER A 104 -8.698 6.249 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.271 8.665 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.715 9.221 -5.784 1.00 0.00 H new ATOM 0 HG SER A 104 -10.997 8.785 -5.765 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.625 7.829 -7.139 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.944 7.749 -8.434 1.00 0.00 C ATOM 1595 C GLN A 105 -5.378 6.346 -8.675 1.00 0.00 C ATOM 1596 O GLN A 105 -5.194 5.921 -9.814 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.768 8.736 -8.456 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.129 10.228 -8.443 1.00 0.00 C ATOM 1599 CD GLN A 105 -3.848 11.066 -8.405 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -2.963 10.923 -9.252 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -3.659 11.901 -7.396 1.00 0.00 N ATOM 0 H GLN A 105 -6.242 8.553 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.673 7.987 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.133 8.531 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.171 8.537 -9.346 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.714 10.479 -9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.750 10.455 -7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.387 12.024 -6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.785 12.422 -7.322 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.093 5.624 -7.597 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.484 4.312 -7.564 1.00 0.00 C ATOM 1612 C LEU A 106 -5.520 3.268 -7.132 1.00 0.00 C ATOM 1613 O LEU A 106 -5.157 2.213 -6.613 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.282 4.328 -6.609 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.253 5.455 -6.816 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.357 5.546 -5.580 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.413 5.195 -8.066 1.00 0.00 C ATOM 0 H LEU A 106 -5.299 5.971 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.129 4.045 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.659 4.393 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.764 3.373 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.777 6.400 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.625 6.342 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.967 5.763 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.839 4.598 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.692 6.003 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.883 4.249 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.064 5.148 -8.939 1.00 0.00 H new ATOM 1629 N THR A 107 -6.813 3.553 -7.317 1.00 0.00 N ATOM 1630 CA THR A 107 -7.982 2.736 -6.976 1.00 0.00 C ATOM 1631 C THR A 107 -8.284 2.686 -5.470 1.00 0.00 C ATOM 1632 O THR A 107 -9.255 2.053 -5.057 1.00 0.00 O ATOM 1633 CB THR A 107 -7.935 1.337 -7.627 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.049 0.463 -6.975 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.529 1.366 -9.100 1.00 0.00 C ATOM 0 H THR A 107 -7.092 4.436 -7.745 1.00 0.00 H new ATOM 0 HA THR A 107 -8.835 3.252 -7.416 1.00 0.00 H new ATOM 0 HB THR A 107 -8.960 0.978 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.319 0.978 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.516 0.350 -9.494 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.245 1.965 -9.663 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.536 1.804 -9.195 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.491 3.366 -4.645 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.595 3.418 -3.196 1.00 0.00 C ATOM 1645 C GLY A 108 -6.969 2.206 -2.505 1.00 0.00 C ATOM 1646 O GLY A 108 -7.299 1.955 -1.348 1.00 0.00 O ATOM 0 H GLY A 108 -6.714 3.927 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.110 4.325 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.646 3.486 -2.915 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.056 1.472 -3.155 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.284 0.407 -2.516 1.00 0.00 C ATOM 1652 C VAL A 109 -3.893 0.338 -3.161 1.00 0.00 C ATOM 1653 O VAL A 109 -3.780 0.292 -4.390 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.080 -0.919 -2.575 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.303 -1.429 -4.002 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.435 -2.017 -1.721 1.00 0.00 C ATOM 0 H VAL A 109 -5.834 1.603 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.123 0.612 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.058 -0.681 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.867 -2.361 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.862 -0.686 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.339 -1.603 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.028 -2.929 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.425 -2.211 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.394 -1.692 -0.681 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.830 0.344 -2.354 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.445 0.233 -2.801 1.00 0.00 C ATOM 1668 C ALA A 110 -0.556 -0.283 -1.660 1.00 0.00 C ATOM 1669 O ALA A 110 -1.050 -0.492 -0.555 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.984 1.602 -3.317 1.00 0.00 C ATOM 0 H ALA A 110 -2.915 0.429 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.366 -0.489 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.050 1.534 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.618 1.910 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.056 2.336 -2.515 1.00 0.00 H new ATOM 1676 N ALA A 111 0.743 -0.504 -1.883 1.00 0.00 N ATOM 1677 CA ALA A 111 1.684 -0.858 -0.823 1.00 0.00 C ATOM 1678 C ALA A 111 3.129 -0.589 -1.243 1.00 0.00 C ATOM 1679 O ALA A 111 3.473 -0.750 -2.414 1.00 0.00 O ATOM 1680 CB ALA A 111 1.552 -2.344 -0.457 1.00 0.00 C ATOM 0 H ALA A 111 1.170 -0.442 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 111 1.441 -0.237 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.261 -2.588 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.538 -2.545 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.763 -2.955 -1.335 1.00 0.00 H new ATOM 1686 N ILE A 112 3.974 -0.279 -0.261 1.00 0.00 N ATOM 1687 CA ILE A 112 5.422 -0.202 -0.386 1.00 0.00 C ATOM 1688 C ILE A 112 5.956 -1.619 -0.225 1.00 0.00 C ATOM 1689 O ILE A 112 5.503 -2.368 0.651 1.00 0.00 O ATOM 1690 CB ILE A 112 6.013 0.725 0.707 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.506 2.163 0.472 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.552 0.609 0.745 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.936 3.206 1.514 1.00 0.00 C ATOM 0 H ILE A 112 3.651 -0.066 0.683 1.00 0.00 H new ATOM 0 HA ILE A 112 5.706 0.214 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 112 5.672 0.418 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.851 2.493 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.417 2.142 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.948 1.267 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.834 -0.421 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.963 0.898 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.522 4.179 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.567 2.912 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.024 3.269 1.538 1.00 0.00 H new ATOM 1705 N LEU A 113 6.971 -1.949 -1.021 1.00 0.00 N ATOM 1706 CA LEU A 113 7.615 -3.246 -1.022 1.00 0.00 C ATOM 1707 C LEU A 113 9.047 -3.107 -0.513 1.00 0.00 C ATOM 1708 O LEU A 113 9.740 -2.135 -0.822 1.00 0.00 O ATOM 1709 CB LEU A 113 7.607 -3.841 -2.435 1.00 0.00 C ATOM 1710 CG LEU A 113 6.224 -3.873 -3.117 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.335 -4.153 -4.611 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.333 -4.943 -2.516 1.00 0.00 C ATOM 0 H LEU A 113 7.373 -1.300 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 113 7.067 -3.918 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.291 -3.266 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.997 -4.858 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 113 5.790 -2.886 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.339 -4.167 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.931 -3.373 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.814 -5.120 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.367 -4.937 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.802 -5.919 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.189 -4.743 -1.454 1.00 0.00 H new ATOM 1724 N ARG A 114 9.508 -4.117 0.220 1.00 0.00 N ATOM 1725 CA ARG A 114 10.853 -4.268 0.774 1.00 0.00 C ATOM 1726 C ARG A 114 11.911 -4.423 -0.312 1.00 0.00 C ATOM 1727 O ARG A 114 13.078 -4.131 -0.066 1.00 0.00 O ATOM 1728 CB ARG A 114 10.875 -5.530 1.655 1.00 0.00 C ATOM 1729 CG ARG A 114 9.990 -5.383 2.895 1.00 0.00 C ATOM 1730 CD ARG A 114 9.875 -6.684 3.686 1.00 0.00 C ATOM 1731 NE ARG A 114 9.287 -6.412 5.002 1.00 0.00 N ATOM 1732 CZ ARG A 114 9.280 -7.229 6.058 1.00 0.00 C ATOM 1733 NH1 ARG A 114 9.618 -8.510 5.940 1.00 0.00 N ATOM 1734 NH2 ARG A 114 8.966 -6.704 7.235 1.00 0.00 N ATOM 0 H ARG A 114 8.910 -4.908 0.460 1.00 0.00 H new ATOM 0 HA ARG A 114 11.085 -3.369 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.539 -6.386 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.899 -5.738 1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.398 -4.604 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.995 -5.056 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.257 -7.398 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.859 -7.138 3.803 1.00 0.00 H new ATOM 0 HE ARG A 114 8.837 -5.505 5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.889 -8.884 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.606 -9.118 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.742 -5.712 7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.949 -7.293 8.068 1.00 0.00 H new ATOM 1748 N PHE A 115 11.520 -4.918 -1.479 1.00 0.00 N ATOM 1749 CA PHE A 115 12.358 -5.237 -2.621 1.00 0.00 C ATOM 1750 C PHE A 115 11.430 -5.279 -3.841 1.00 0.00 C ATOM 1751 O PHE A 115 10.212 -5.382 -3.662 1.00 0.00 O ATOM 1752 CB PHE A 115 13.050 -6.591 -2.379 1.00 0.00 C ATOM 1753 CG PHE A 115 12.191 -7.675 -1.761 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.261 -8.380 -2.545 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.344 -7.993 -0.399 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.524 -9.433 -1.977 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.583 -9.024 0.175 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.681 -9.753 -0.618 1.00 0.00 C ATOM 0 H PHE A 115 10.537 -5.121 -1.663 1.00 0.00 H new ATOM 0 HA PHE A 115 13.145 -4.499 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.432 -6.957 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.912 -6.426 -1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.113 -8.113 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 115 13.049 -7.443 0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.835 -9.998 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.691 -9.256 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.109 -10.559 -0.183 1.00 0.00 H new ATOM 1768 N PRO A 116 11.958 -5.178 -5.070 1.00 0.00 N ATOM 1769 CA PRO A 116 11.136 -5.200 -6.267 1.00 0.00 C ATOM 1770 C PRO A 116 10.550 -6.599 -6.460 1.00 0.00 C ATOM 1771 O PRO A 116 11.260 -7.606 -6.335 1.00 0.00 O ATOM 1772 CB PRO A 116 12.051 -4.755 -7.407 1.00 0.00 C ATOM 1773 CG PRO A 116 13.451 -5.110 -6.922 1.00 0.00 C ATOM 1774 CD PRO A 116 13.364 -5.034 -5.402 1.00 0.00 C ATOM 0 HA PRO A 116 10.277 -4.531 -6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.809 -5.270 -8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 116 11.955 -3.687 -7.601 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.744 -6.106 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.194 -4.414 -7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.956 -5.823 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.755 -4.085 -5.037 1.00 0.00 H new ATOM 1782 N VAL A 117 9.249 -6.676 -6.723 1.00 0.00 N ATOM 1783 CA VAL A 117 8.548 -7.925 -6.985 1.00 0.00 C ATOM 1784 C VAL A 117 8.666 -8.203 -8.493 1.00 0.00 C ATOM 1785 O VAL A 117 8.365 -7.307 -9.287 1.00 0.00 O ATOM 1786 CB VAL A 117 7.080 -7.786 -6.549 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.222 -9.013 -6.909 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.905 -7.545 -5.044 1.00 0.00 C ATOM 0 H VAL A 117 8.643 -5.856 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 117 8.977 -8.756 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 117 6.741 -6.912 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.197 -8.851 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.232 -9.160 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.628 -9.898 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.844 -7.457 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.330 -8.382 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.416 -6.625 -4.761 1.00 0.00 H new ATOM 1798 N PRO A 118 9.050 -9.420 -8.914 1.00 0.00 N ATOM 1799 CA PRO A 118 9.008 -9.828 -10.307 1.00 0.00 C ATOM 1800 C PRO A 118 7.543 -9.878 -10.738 1.00 0.00 C ATOM 1801 O PRO A 118 6.746 -10.670 -10.225 1.00 0.00 O ATOM 1802 CB PRO A 118 9.700 -11.192 -10.373 1.00 0.00 C ATOM 1803 CG PRO A 118 9.467 -11.771 -8.982 1.00 0.00 C ATOM 1804 CD PRO A 118 9.459 -10.536 -8.084 1.00 0.00 C ATOM 0 HA PRO A 118 9.518 -9.142 -10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 118 9.269 -11.824 -11.149 1.00 0.00 H new ATOM 0 HB3 PRO A 118 10.763 -11.094 -10.595 1.00 0.00 H new ATOM 0 HG2 PRO A 118 8.524 -12.315 -8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.255 -12.469 -8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.772 -10.669 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.447 -10.360 -7.659 1.00 0.00 H new ATOM 1812 N SER A 119 7.162 -8.961 -11.621 1.00 0.00 N ATOM 1813 CA SER A 119 5.819 -8.860 -12.148 1.00 0.00 C ATOM 1814 C SER A 119 5.895 -8.034 -13.422 1.00 0.00 C ATOM 1815 O SER A 119 6.419 -6.918 -13.404 1.00 0.00 O ATOM 1816 CB SER A 119 4.915 -8.202 -11.104 1.00 0.00 C ATOM 1817 OG SER A 119 3.589 -8.172 -11.577 1.00 0.00 O ATOM 0 H SER A 119 7.797 -8.255 -11.994 1.00 0.00 H new ATOM 0 HA SER A 119 5.399 -9.840 -12.374 1.00 0.00 H new ATOM 0 HB2 SER A 119 4.964 -8.755 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.260 -7.189 -10.896 1.00 0.00 H new ATOM 0 HG SER A 119 3.012 -7.752 -10.906 1.00 0.00 H new ATOM 1823 N GLY A 120 5.390 -8.581 -14.521 1.00 0.00 N ATOM 1824 CA GLY A 120 5.446 -7.945 -15.825 1.00 0.00 C ATOM 1825 C GLY A 120 6.813 -8.135 -16.487 1.00 0.00 C ATOM 1826 O GLY A 120 7.774 -8.554 -15.834 1.00 0.00 O ATOM 0 H GLY A 120 4.925 -9.489 -14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.669 -8.361 -16.467 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.237 -6.880 -15.720 1.00 0.00 H new ATOM 1830 N PRO A 121 6.908 -7.847 -17.793 1.00 0.00 N ATOM 1831 CA PRO A 121 8.101 -8.102 -18.583 1.00 0.00 C ATOM 1832 C PRO A 121 9.196 -7.087 -18.260 1.00 0.00 C ATOM 1833 O PRO A 121 10.248 -7.466 -17.744 1.00 0.00 O ATOM 1834 CB PRO A 121 7.644 -8.052 -20.044 1.00 0.00 C ATOM 1835 CG PRO A 121 6.411 -7.152 -20.013 1.00 0.00 C ATOM 1836 CD PRO A 121 5.814 -7.390 -18.633 1.00 0.00 C ATOM 0 HA PRO A 121 8.548 -9.071 -18.362 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.420 -7.644 -20.692 1.00 0.00 H new ATOM 0 HB3 PRO A 121 7.404 -9.046 -20.422 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.678 -6.105 -20.157 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.707 -7.413 -20.803 1.00 0.00 H new ATOM 0 HD2 PRO A 121 5.374 -6.475 -18.236 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.019 -8.134 -18.676 1.00 0.00 H new ATOM 1844 N SER A 122 8.974 -5.809 -18.572 1.00 0.00 N ATOM 1845 CA SER A 122 9.955 -4.751 -18.446 1.00 0.00 C ATOM 1846 C SER A 122 9.193 -3.428 -18.509 1.00 0.00 C ATOM 1847 O SER A 122 8.659 -3.080 -19.567 1.00 0.00 O ATOM 1848 CB SER A 122 10.976 -4.901 -19.582 1.00 0.00 C ATOM 1849 OG SER A 122 12.079 -4.022 -19.459 1.00 0.00 O ATOM 0 H SER A 122 8.077 -5.481 -18.929 1.00 0.00 H new ATOM 0 HA SER A 122 10.507 -4.792 -17.507 1.00 0.00 H new ATOM 0 HB2 SER A 122 11.339 -5.929 -19.603 1.00 0.00 H new ATOM 0 HB3 SER A 122 10.479 -4.719 -20.535 1.00 0.00 H new ATOM 0 HG SER A 122 12.695 -4.164 -20.208 1.00 0.00 H new ATOM 1855 N SER A 123 9.132 -2.721 -17.376 1.00 0.00 N ATOM 1856 CA SER A 123 8.381 -1.479 -17.190 1.00 0.00 C ATOM 1857 C SER A 123 6.887 -1.656 -17.529 1.00 0.00 C ATOM 1858 O SER A 123 6.406 -2.786 -17.680 1.00 0.00 O ATOM 1859 CB SER A 123 9.081 -0.340 -17.946 1.00 0.00 C ATOM 1860 OG SER A 123 10.464 -0.306 -17.627 1.00 0.00 O ATOM 0 H SER A 123 9.624 -3.011 -16.531 1.00 0.00 H new ATOM 0 HA SER A 123 8.381 -1.200 -16.136 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.953 -0.476 -19.020 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.619 0.613 -17.688 1.00 0.00 H new ATOM 0 HG SER A 123 10.895 0.424 -18.118 1.00 0.00 H new ATOM 1866 N GLY A 124 6.118 -0.566 -17.621 1.00 0.00 N ATOM 1867 CA GLY A 124 4.729 -0.617 -18.049 1.00 0.00 C ATOM 1868 C GLY A 124 4.021 0.684 -17.765 1.00 0.00 C ATOM 1869 O GLY A 124 2.857 0.595 -17.324 1.00 0.00 O ATOM 0 H GLY A 124 6.448 0.373 -17.399 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.683 -0.833 -19.116 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.218 -1.432 -17.536 1.00 0.00 H new TER 1873 GLY A 124