USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 MET CE :methyl 155:sc= -0.291 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN :FLIP amide:sc= -2.71! C(o=-3.3!,f=-2.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.21! C(o=-3.2!,f=-3.6!) USER MOD Single : A 29 HIS : no HD1:sc= -4.59 X(o=-4.6,f=-5!) USER MOD Single : A 32 SER OG : rot -120:sc= 0.311 USER MOD Single : A 35 SER OG : rot -37:sc= 0.807 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.167 F(o=-2,f=-0.17) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.71 F(o=-5!,f=-1.7) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.915 F(o=-4.6!,f=-0.92) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.216 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.980 6.817 -4.404 1.00 0.00 N ATOM 2 CA MET A 1 13.501 8.150 -4.795 1.00 0.00 C ATOM 3 C MET A 1 12.047 8.360 -4.361 1.00 0.00 C ATOM 4 O MET A 1 11.773 9.078 -3.404 1.00 0.00 O ATOM 5 CB MET A 1 13.645 8.367 -6.306 1.00 0.00 C ATOM 6 CG MET A 1 13.141 9.720 -6.785 1.00 0.00 C ATOM 7 SD MET A 1 13.245 9.904 -8.578 1.00 0.00 S ATOM 8 CE MET A 1 12.212 8.541 -9.116 1.00 0.00 C ATOM 0 H1 MET A 1 14.967 6.700 -4.709 1.00 0.00 H new ATOM 0 H2 MET A 1 13.923 6.717 -3.370 1.00 0.00 H new ATOM 0 H3 MET A 1 13.389 6.090 -4.855 1.00 0.00 H new ATOM 0 HA MET A 1 14.121 8.886 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.695 8.264 -6.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.100 7.581 -6.830 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.106 9.851 -6.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.722 10.510 -6.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.812 8.757 -10.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.806 7.628 -9.155 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.389 8.409 -8.413 1.00 0.00 H new ATOM 18 N SER A 2 11.125 7.721 -5.063 1.00 0.00 N ATOM 19 CA SER A 2 9.712 7.785 -4.725 1.00 0.00 C ATOM 20 C SER A 2 9.205 6.381 -4.432 1.00 0.00 C ATOM 21 O SER A 2 8.053 6.038 -4.689 1.00 0.00 O ATOM 22 CB SER A 2 8.925 8.431 -5.866 1.00 0.00 C ATOM 23 OG SER A 2 9.397 9.748 -6.105 1.00 0.00 O ATOM 0 H SER A 2 11.333 7.146 -5.879 1.00 0.00 H new ATOM 0 HA SER A 2 9.572 8.401 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.025 7.832 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.864 8.457 -5.616 1.00 0.00 H new ATOM 0 HG SER A 2 8.887 10.150 -6.839 1.00 0.00 H new ATOM 29 N ALA A 3 10.109 5.570 -3.907 1.00 0.00 N ATOM 30 CA ALA A 3 9.816 4.204 -3.534 1.00 0.00 C ATOM 31 C ALA A 3 10.527 3.864 -2.237 1.00 0.00 C ATOM 32 O ALA A 3 11.643 3.352 -2.242 1.00 0.00 O ATOM 33 CB ALA A 3 10.225 3.255 -4.627 1.00 0.00 C ATOM 0 H ALA A 3 11.074 5.848 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 3 8.741 4.102 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.996 2.233 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.680 3.495 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.296 3.348 -4.808 1.00 0.00 H new ATOM 39 N VAL A 4 9.877 4.158 -1.132 1.00 0.00 N ATOM 40 CA VAL A 4 10.472 3.978 0.179 1.00 0.00 C ATOM 41 C VAL A 4 9.596 3.059 1.027 1.00 0.00 C ATOM 42 O VAL A 4 8.369 3.131 0.971 1.00 0.00 O ATOM 43 CB VAL A 4 10.699 5.343 0.883 1.00 0.00 C ATOM 44 CG1 VAL A 4 9.393 6.021 1.270 1.00 0.00 C ATOM 45 CG2 VAL A 4 11.607 5.185 2.093 1.00 0.00 C ATOM 0 H VAL A 4 8.926 4.527 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 4 11.449 3.510 0.056 1.00 0.00 H new ATOM 0 HB VAL A 4 11.192 5.994 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.607 6.971 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.797 6.199 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.838 5.378 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.751 6.155 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.150 4.496 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.572 4.790 1.775 1.00 0.00 H new ATOM 55 N GLN A 5 10.238 2.164 1.768 1.00 0.00 N ATOM 56 CA GLN A 5 9.541 1.159 2.540 1.00 0.00 C ATOM 57 C GLN A 5 8.599 1.780 3.548 1.00 0.00 C ATOM 58 O GLN A 5 9.026 2.419 4.512 1.00 0.00 O ATOM 59 CB GLN A 5 10.530 0.251 3.271 1.00 0.00 C ATOM 60 CG GLN A 5 10.186 -1.219 3.139 1.00 0.00 C ATOM 61 CD GLN A 5 8.726 -1.428 2.805 1.00 0.00 C ATOM 62 OE1 GLN A 5 7.901 -1.622 3.804 1.00 0.00 O flip ATOM 63 NE2 GLN A 5 8.339 -1.424 1.647 1.00 0.00 N flip ATOM 0 H GLN A 5 11.254 2.120 1.846 1.00 0.00 H new ATOM 0 HA GLN A 5 8.956 0.568 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.532 0.422 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.552 0.521 4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.804 -1.668 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.422 -1.732 4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.003 -1.270 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.352 -1.574 1.439 1.00 0.00 H new ATOM 72 N VAL A 6 7.318 1.588 3.312 1.00 0.00 N ATOM 73 CA VAL A 6 6.308 1.996 4.258 1.00 0.00 C ATOM 74 C VAL A 6 5.139 1.049 4.214 1.00 0.00 C ATOM 75 O VAL A 6 4.368 0.938 5.165 1.00 0.00 O ATOM 76 CB VAL A 6 5.806 3.434 3.998 1.00 0.00 C ATOM 77 CG1 VAL A 6 4.723 3.459 2.933 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.307 4.031 5.303 1.00 0.00 C ATOM 0 H VAL A 6 6.953 1.149 2.467 1.00 0.00 H new ATOM 0 HA VAL A 6 6.772 1.974 5.244 1.00 0.00 H new ATOM 0 HB VAL A 6 6.633 4.036 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.392 4.485 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.120 3.058 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.878 2.852 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.951 5.046 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.490 3.423 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.121 4.053 6.028 1.00 0.00 H new ATOM 88 N LEU A 7 5.025 0.334 3.127 1.00 0.00 N ATOM 89 CA LEU A 7 3.895 -0.507 2.930 1.00 0.00 C ATOM 90 C LEU A 7 4.397 -1.927 2.854 1.00 0.00 C ATOM 91 O LEU A 7 5.552 -2.147 2.532 1.00 0.00 O ATOM 92 CB LEU A 7 3.180 -0.062 1.648 1.00 0.00 C ATOM 93 CG LEU A 7 1.678 -0.381 1.586 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.032 0.271 0.387 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.409 -1.866 1.548 1.00 0.00 C ATOM 0 H LEU A 7 5.707 0.323 2.368 1.00 0.00 H new ATOM 0 HA LEU A 7 3.174 -0.441 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.311 1.014 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.670 -0.534 0.796 1.00 0.00 H new ATOM 0 HG LEU A 7 1.242 0.023 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.030 0.028 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.156 1.352 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.504 -0.096 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.334 -2.040 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.883 -2.299 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.816 -2.333 2.445 1.00 0.00 H new ATOM 107 N LYS A 8 3.593 -2.873 3.257 1.00 0.00 N ATOM 108 CA LYS A 8 3.912 -4.251 3.030 1.00 0.00 C ATOM 109 C LYS A 8 2.647 -5.060 2.896 1.00 0.00 C ATOM 110 O LYS A 8 1.625 -4.751 3.507 1.00 0.00 O ATOM 111 CB LYS A 8 4.819 -4.809 4.131 1.00 0.00 C ATOM 112 CG LYS A 8 4.315 -4.620 5.546 1.00 0.00 C ATOM 113 CD LYS A 8 5.288 -3.788 6.375 1.00 0.00 C ATOM 114 CE LYS A 8 5.216 -2.303 6.042 1.00 0.00 C ATOM 115 NZ LYS A 8 5.817 -1.466 7.118 1.00 0.00 N ATOM 0 H LYS A 8 2.712 -2.712 3.745 1.00 0.00 H new ATOM 0 HA LYS A 8 4.469 -4.323 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.963 -5.875 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.798 -4.337 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.341 -4.131 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.173 -5.593 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.072 -3.931 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.303 -4.146 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.736 -2.115 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.176 -2.013 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.749 -0.462 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.305 -1.626 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.817 -1.725 7.242 1.00 0.00 H new ATOM 129 N PHE A 9 2.730 -6.074 2.073 1.00 0.00 N ATOM 130 CA PHE A 9 1.637 -7.010 1.881 1.00 0.00 C ATOM 131 C PHE A 9 2.089 -8.363 2.384 1.00 0.00 C ATOM 132 O PHE A 9 2.696 -9.141 1.652 1.00 0.00 O ATOM 133 CB PHE A 9 1.175 -7.094 0.410 1.00 0.00 C ATOM 134 CG PHE A 9 2.081 -6.419 -0.564 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.394 -6.774 -0.618 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.612 -5.445 -1.423 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.256 -6.182 -1.505 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.462 -4.841 -2.323 1.00 0.00 C ATOM 139 CZ PHE A 9 3.789 -5.211 -2.364 1.00 0.00 C ATOM 0 H PHE A 9 3.557 -6.280 1.513 1.00 0.00 H new ATOM 0 HA PHE A 9 0.771 -6.660 2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.081 -8.144 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.182 -6.652 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.764 -7.537 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.572 -5.155 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.295 -6.475 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.090 -4.081 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.461 -4.741 -3.067 1.00 0.00 H new ATOM 149 N PRO A 10 1.873 -8.582 3.684 1.00 0.00 N ATOM 150 CA PRO A 10 2.147 -9.825 4.394 1.00 0.00 C ATOM 151 C PRO A 10 2.066 -11.086 3.538 1.00 0.00 C ATOM 152 O PRO A 10 0.999 -11.677 3.409 1.00 0.00 O ATOM 153 CB PRO A 10 0.986 -9.840 5.371 1.00 0.00 C ATOM 154 CG PRO A 10 0.674 -8.406 5.672 1.00 0.00 C ATOM 155 CD PRO A 10 1.334 -7.579 4.610 1.00 0.00 C ATOM 0 HA PRO A 10 3.158 -9.842 4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.121 -10.344 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.249 -10.380 6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.403 -8.239 5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.043 -8.131 6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.623 -6.917 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.122 -6.949 5.023 1.00 0.00 H new ATOM 163 N LEU A 11 3.211 -11.551 3.041 1.00 0.00 N ATOM 164 CA LEU A 11 3.259 -12.736 2.168 1.00 0.00 C ATOM 165 C LEU A 11 2.941 -13.986 2.962 1.00 0.00 C ATOM 166 O LEU A 11 2.726 -15.064 2.412 1.00 0.00 O ATOM 167 CB LEU A 11 4.642 -12.890 1.545 1.00 0.00 C ATOM 168 CG LEU A 11 5.702 -13.516 2.439 1.00 0.00 C ATOM 169 CD1 LEU A 11 6.975 -13.677 1.665 1.00 0.00 C ATOM 170 CD2 LEU A 11 5.965 -12.636 3.632 1.00 0.00 C ATOM 0 H LEU A 11 4.121 -11.129 3.225 1.00 0.00 H new ATOM 0 HA LEU A 11 2.519 -12.601 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.549 -13.496 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.991 -11.906 1.233 1.00 0.00 H new ATOM 0 HG LEU A 11 5.344 -14.487 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.735 -14.125 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.798 -14.322 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.319 -12.701 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.725 -13.096 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.315 -11.661 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.045 -12.513 4.203 1.00 0.00 H new ATOM 182 N SER A 12 2.907 -13.810 4.261 1.00 0.00 N ATOM 183 CA SER A 12 2.721 -14.881 5.186 1.00 0.00 C ATOM 184 C SER A 12 1.264 -14.969 5.591 1.00 0.00 C ATOM 185 O SER A 12 0.894 -15.765 6.454 1.00 0.00 O ATOM 186 CB SER A 12 3.585 -14.581 6.398 1.00 0.00 C ATOM 187 OG SER A 12 4.961 -14.607 6.059 1.00 0.00 O ATOM 0 H SER A 12 3.011 -12.897 4.704 1.00 0.00 H new ATOM 0 HA SER A 12 3.002 -15.834 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.325 -13.603 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.386 -15.312 7.181 1.00 0.00 H new ATOM 0 HG SER A 12 5.498 -14.409 6.855 1.00 0.00 H new ATOM 193 N VAL A 13 0.432 -14.145 4.962 1.00 0.00 N ATOM 194 CA VAL A 13 -0.981 -14.117 5.316 1.00 0.00 C ATOM 195 C VAL A 13 -1.841 -14.024 4.069 1.00 0.00 C ATOM 196 O VAL A 13 -1.349 -14.073 2.940 1.00 0.00 O ATOM 197 CB VAL A 13 -1.343 -12.944 6.282 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.260 -12.722 7.317 1.00 0.00 C ATOM 199 CG2 VAL A 13 -1.635 -11.655 5.528 1.00 0.00 C ATOM 0 H VAL A 13 0.704 -13.501 4.220 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.183 -15.050 5.841 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.255 -13.237 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.546 -11.899 7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.131 -13.628 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.677 -12.479 6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.882 -10.866 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.757 -11.363 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.476 -11.811 4.852 1.00 0.00 H new ATOM 209 N ASP A 14 -3.126 -13.880 4.297 1.00 0.00 N ATOM 210 CA ASP A 14 -4.105 -13.751 3.233 1.00 0.00 C ATOM 211 C ASP A 14 -4.145 -12.305 2.747 1.00 0.00 C ATOM 212 O ASP A 14 -5.182 -11.631 2.764 1.00 0.00 O ATOM 213 CB ASP A 14 -5.465 -14.208 3.745 1.00 0.00 C ATOM 214 CG ASP A 14 -6.476 -14.417 2.638 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.322 -15.386 1.867 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.449 -13.637 2.559 1.00 0.00 O ATOM 0 H ASP A 14 -3.529 -13.848 5.234 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.829 -14.381 2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.344 -15.139 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.850 -13.468 4.446 1.00 0.00 H new ATOM 221 N LEU A 15 -2.983 -11.843 2.307 1.00 0.00 N ATOM 222 CA LEU A 15 -2.781 -10.477 1.866 1.00 0.00 C ATOM 223 C LEU A 15 -3.649 -10.101 0.683 1.00 0.00 C ATOM 224 O LEU A 15 -3.611 -8.970 0.256 1.00 0.00 O ATOM 225 CB LEU A 15 -1.314 -10.288 1.513 1.00 0.00 C ATOM 226 CG LEU A 15 -0.674 -11.484 0.814 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.328 -11.790 -0.521 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.775 -11.231 0.593 1.00 0.00 C ATOM 0 H LEU A 15 -2.143 -12.419 2.247 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.072 -9.819 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.217 -9.413 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.758 -10.076 2.426 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.816 -12.345 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.837 -12.649 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.383 -12.015 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.234 -10.926 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.222 -12.090 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.899 -10.345 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.267 -11.072 1.553 1.00 0.00 H new ATOM 240 N ALA A 16 -4.426 -11.030 0.150 1.00 0.00 N ATOM 241 CA ALA A 16 -5.306 -10.725 -0.972 1.00 0.00 C ATOM 242 C ALA A 16 -6.206 -9.545 -0.643 1.00 0.00 C ATOM 243 O ALA A 16 -6.668 -8.837 -1.534 1.00 0.00 O ATOM 244 CB ALA A 16 -6.132 -11.943 -1.341 1.00 0.00 C ATOM 0 H ALA A 16 -4.467 -11.997 0.472 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.691 -10.453 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.784 -11.700 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.469 -12.761 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.738 -12.244 -0.486 1.00 0.00 H new ATOM 250 N GLY A 17 -6.416 -9.323 0.646 1.00 0.00 N ATOM 251 CA GLY A 17 -7.162 -8.168 1.076 1.00 0.00 C ATOM 252 C GLY A 17 -6.383 -6.871 0.898 1.00 0.00 C ATOM 253 O GLY A 17 -6.941 -5.871 0.463 1.00 0.00 O ATOM 0 H GLY A 17 -6.081 -9.924 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.092 -8.110 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.433 -8.284 2.125 1.00 0.00 H new ATOM 257 N PHE A 18 -5.090 -6.882 1.227 1.00 0.00 N ATOM 258 CA PHE A 18 -4.279 -5.667 1.142 1.00 0.00 C ATOM 259 C PHE A 18 -3.516 -5.576 -0.178 1.00 0.00 C ATOM 260 O PHE A 18 -3.538 -4.545 -0.844 1.00 0.00 O ATOM 261 CB PHE A 18 -3.282 -5.575 2.287 1.00 0.00 C ATOM 262 CG PHE A 18 -2.806 -4.162 2.525 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.218 -3.123 1.691 1.00 0.00 C ATOM 264 CD2 PHE A 18 -1.967 -3.867 3.587 1.00 0.00 C ATOM 265 CE1 PHE A 18 -2.798 -1.828 1.915 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.542 -2.570 3.810 1.00 0.00 C ATOM 267 CZ PHE A 18 -1.960 -1.552 2.971 1.00 0.00 C ATOM 0 H PHE A 18 -4.587 -7.708 1.551 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.982 -4.836 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.742 -5.958 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.425 -6.212 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.874 -3.335 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.642 -4.657 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.126 -1.032 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.884 -2.352 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.628 -0.539 3.145 1.00 0.00 H new ATOM 277 N VAL A 19 -2.822 -6.639 -0.550 1.00 0.00 N ATOM 278 CA VAL A 19 -2.064 -6.637 -1.782 1.00 0.00 C ATOM 279 C VAL A 19 -3.036 -6.430 -2.917 1.00 0.00 C ATOM 280 O VAL A 19 -2.739 -5.770 -3.900 1.00 0.00 O ATOM 281 CB VAL A 19 -1.285 -7.963 -2.008 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.183 -9.075 -2.538 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.114 -7.748 -2.953 1.00 0.00 C ATOM 0 H VAL A 19 -2.770 -7.508 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.322 -5.840 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.907 -8.276 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.594 -9.981 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.982 -9.270 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.616 -8.770 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.416 -8.690 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.483 -7.390 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.566 -7.010 -2.528 1.00 0.00 H new ATOM 293 N GLY A 20 -4.220 -6.994 -2.728 1.00 0.00 N ATOM 294 CA GLY A 20 -5.307 -6.785 -3.651 1.00 0.00 C ATOM 295 C GLY A 20 -5.765 -5.363 -3.591 1.00 0.00 C ATOM 296 O GLY A 20 -5.998 -4.750 -4.614 1.00 0.00 O ATOM 0 H GLY A 20 -4.445 -7.600 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.987 -7.030 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.134 -7.452 -3.408 1.00 0.00 H new ATOM 300 N LEU A 21 -5.792 -4.822 -2.387 1.00 0.00 N ATOM 301 CA LEU A 21 -6.301 -3.483 -2.143 1.00 0.00 C ATOM 302 C LEU A 21 -5.604 -2.440 -3.014 1.00 0.00 C ATOM 303 O LEU A 21 -6.267 -1.668 -3.696 1.00 0.00 O ATOM 304 CB LEU A 21 -6.145 -3.143 -0.661 1.00 0.00 C ATOM 305 CG LEU A 21 -6.740 -1.810 -0.211 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.057 -1.864 1.271 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.773 -0.670 -0.494 1.00 0.00 C ATOM 0 H LEU A 21 -5.461 -5.299 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.357 -3.464 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.606 -3.939 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.082 -3.143 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.658 -1.631 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.481 -0.911 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.775 -2.662 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.143 -2.058 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.214 0.271 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.841 -0.841 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.569 -0.623 -1.564 1.00 0.00 H new ATOM 319 N LEU A 22 -4.274 -2.414 -3.027 1.00 0.00 N ATOM 320 CA LEU A 22 -3.593 -1.368 -3.769 1.00 0.00 C ATOM 321 C LEU A 22 -3.372 -1.776 -5.204 1.00 0.00 C ATOM 322 O LEU A 22 -3.167 -0.949 -6.099 1.00 0.00 O ATOM 323 CB LEU A 22 -2.290 -0.900 -3.136 1.00 0.00 C ATOM 324 CG LEU A 22 -1.272 -1.913 -2.576 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.515 -2.174 -1.102 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.252 -3.216 -3.329 1.00 0.00 C ATOM 0 H LEU A 22 -3.668 -3.081 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.263 -0.509 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.768 -0.303 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.555 -0.228 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.293 -1.452 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.782 -2.892 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.419 -1.241 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.518 -2.577 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.514 -3.883 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.237 -3.680 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.990 -3.030 -4.371 1.00 0.00 H new ATOM 338 N ARG A 23 -3.367 -3.066 -5.399 1.00 0.00 N ATOM 339 CA ARG A 23 -3.356 -3.644 -6.722 1.00 0.00 C ATOM 340 C ARG A 23 -4.619 -3.215 -7.447 1.00 0.00 C ATOM 341 O ARG A 23 -4.653 -3.063 -8.667 1.00 0.00 O ATOM 342 CB ARG A 23 -3.302 -5.145 -6.552 1.00 0.00 C ATOM 343 CG ARG A 23 -3.109 -5.937 -7.830 1.00 0.00 C ATOM 344 CD ARG A 23 -4.448 -6.298 -8.442 1.00 0.00 C ATOM 345 NE ARG A 23 -4.302 -7.172 -9.604 1.00 0.00 N ATOM 346 CZ ARG A 23 -5.183 -8.105 -9.961 1.00 0.00 C ATOM 347 NH1 ARG A 23 -6.266 -8.339 -9.225 1.00 0.00 N ATOM 348 NH2 ARG A 23 -4.966 -8.816 -11.058 1.00 0.00 N ATOM 0 H ARG A 23 -3.370 -3.752 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.499 -3.314 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.489 -5.387 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.226 -5.473 -6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.524 -5.354 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.543 -6.844 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.067 -6.791 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.969 -5.387 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.468 -7.060 -10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.431 -7.801 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.932 -9.057 -9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.131 -8.646 -11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.634 -9.533 -11.341 1.00 0.00 H new ATOM 362 N ARG A 24 -5.641 -2.994 -6.645 1.00 0.00 N ATOM 363 CA ARG A 24 -6.928 -2.530 -7.105 1.00 0.00 C ATOM 364 C ARG A 24 -6.867 -1.050 -7.415 1.00 0.00 C ATOM 365 O ARG A 24 -7.560 -0.555 -8.305 1.00 0.00 O ATOM 366 CB ARG A 24 -7.954 -2.785 -6.016 1.00 0.00 C ATOM 367 CG ARG A 24 -8.400 -4.237 -5.934 1.00 0.00 C ATOM 368 CD ARG A 24 -8.919 -4.707 -7.277 1.00 0.00 C ATOM 369 NE ARG A 24 -10.021 -3.867 -7.750 1.00 0.00 N ATOM 370 CZ ARG A 24 -10.045 -3.259 -8.939 1.00 0.00 C ATOM 371 NH1 ARG A 24 -9.041 -3.417 -9.794 1.00 0.00 N ATOM 372 NH2 ARG A 24 -11.070 -2.485 -9.270 1.00 0.00 N ATOM 0 H ARG A 24 -5.596 -3.136 -5.636 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.208 -3.064 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.535 -2.487 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.825 -2.154 -6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.565 -4.863 -5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.179 -4.343 -5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.109 -4.692 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.256 -5.740 -7.197 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.822 -3.738 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.246 -4.005 -9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.065 -2.950 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.842 -2.353 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.087 -2.021 -10.178 1.00 0.00 H new ATOM 386 N LEU A 25 -5.987 -0.372 -6.700 1.00 0.00 N ATOM 387 CA LEU A 25 -5.877 1.068 -6.777 1.00 0.00 C ATOM 388 C LEU A 25 -5.394 1.478 -8.163 1.00 0.00 C ATOM 389 O LEU A 25 -6.038 2.274 -8.845 1.00 0.00 O ATOM 390 CB LEU A 25 -4.908 1.531 -5.693 1.00 0.00 C ATOM 391 CG LEU A 25 -4.569 3.009 -5.672 1.00 0.00 C ATOM 392 CD1 LEU A 25 -5.607 3.804 -4.885 1.00 0.00 C ATOM 393 CD2 LEU A 25 -3.181 3.180 -5.100 1.00 0.00 C ATOM 0 H LEU A 25 -5.331 -0.806 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.848 1.537 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.328 1.264 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.980 0.970 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.586 3.402 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.336 4.860 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.587 3.679 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.641 3.441 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.924 4.239 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.153 2.780 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.463 2.645 -5.721 1.00 0.00 H new ATOM 405 N ASN A 26 -4.274 0.876 -8.564 1.00 0.00 N ATOM 406 CA ASN A 26 -3.659 1.072 -9.878 1.00 0.00 C ATOM 407 C ASN A 26 -2.222 0.542 -9.895 1.00 0.00 C ATOM 408 O ASN A 26 -1.469 0.822 -10.824 1.00 0.00 O ATOM 409 CB ASN A 26 -3.670 2.542 -10.331 1.00 0.00 C ATOM 410 CG ASN A 26 -2.846 3.461 -9.448 1.00 0.00 C ATOM 411 OD1 ASN A 26 -1.642 3.603 -9.633 1.00 0.00 O ATOM 412 ND2 ASN A 26 -3.498 4.123 -8.508 1.00 0.00 N ATOM 0 H ASN A 26 -3.758 0.225 -7.972 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.267 0.505 -10.583 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.293 2.601 -11.352 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.700 2.899 -10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.999 4.779 -7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.500 3.978 -8.384 1.00 0.00 H new ATOM 419 N VAL A 27 -1.882 -0.242 -8.861 1.00 0.00 N ATOM 420 CA VAL A 27 -0.578 -0.915 -8.713 1.00 0.00 C ATOM 421 C VAL A 27 0.603 -0.134 -9.338 1.00 0.00 C ATOM 422 O VAL A 27 1.223 -0.554 -10.314 1.00 0.00 O ATOM 423 CB VAL A 27 -0.665 -2.376 -9.248 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.973 -2.428 -10.741 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.593 -3.164 -8.930 1.00 0.00 C ATOM 0 H VAL A 27 -2.518 -0.431 -8.086 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.355 -0.944 -7.646 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.499 -2.846 -8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.023 -3.467 -11.066 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.929 -1.941 -10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.187 -1.913 -11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.495 -4.178 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.453 -2.679 -9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.736 -3.202 -7.850 1.00 0.00 H new ATOM 435 N PRO A 28 0.917 1.028 -8.745 1.00 0.00 N ATOM 436 CA PRO A 28 1.978 1.935 -9.212 1.00 0.00 C ATOM 437 C PRO A 28 3.283 1.843 -8.416 1.00 0.00 C ATOM 438 O PRO A 28 4.085 2.776 -8.422 1.00 0.00 O ATOM 439 CB PRO A 28 1.328 3.270 -8.902 1.00 0.00 C ATOM 440 CG PRO A 28 0.699 3.031 -7.568 1.00 0.00 C ATOM 441 CD PRO A 28 0.198 1.611 -7.597 1.00 0.00 C ATOM 0 HA PRO A 28 2.272 1.733 -10.242 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.060 4.077 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.589 3.544 -9.654 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.421 3.174 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.118 3.730 -7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.424 1.084 -6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.883 1.567 -7.733 1.00 0.00 H new ATOM 449 N HIS A 29 3.509 0.728 -7.752 1.00 0.00 N ATOM 450 CA HIS A 29 4.484 0.696 -6.663 1.00 0.00 C ATOM 451 C HIS A 29 5.625 -0.283 -6.890 1.00 0.00 C ATOM 452 O HIS A 29 5.697 -0.970 -7.905 1.00 0.00 O ATOM 453 CB HIS A 29 3.772 0.328 -5.363 1.00 0.00 C ATOM 454 CG HIS A 29 2.929 -0.909 -5.480 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.554 -0.881 -5.537 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.279 -2.215 -5.561 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.097 -2.114 -5.650 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.121 -2.943 -5.668 1.00 0.00 N ATOM 0 H HIS A 29 3.042 -0.160 -7.938 1.00 0.00 H new ATOM 0 HA HIS A 29 4.925 1.691 -6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.515 0.181 -4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.142 1.161 -5.053 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.284 -2.610 -5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.057 -2.396 -5.717 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.062 -3.958 -5.748 1.00 0.00 H new ATOM 467 N ARG A 30 6.514 -0.321 -5.907 1.00 0.00 N ATOM 468 CA ARG A 30 7.594 -1.290 -5.863 1.00 0.00 C ATOM 469 C ARG A 30 7.287 -2.394 -4.858 1.00 0.00 C ATOM 470 O ARG A 30 6.852 -2.122 -3.741 1.00 0.00 O ATOM 471 CB ARG A 30 8.898 -0.584 -5.491 1.00 0.00 C ATOM 472 CG ARG A 30 10.010 -1.531 -5.078 1.00 0.00 C ATOM 473 CD ARG A 30 11.215 -0.769 -4.563 1.00 0.00 C ATOM 474 NE ARG A 30 12.304 -1.657 -4.158 1.00 0.00 N ATOM 475 CZ ARG A 30 13.588 -1.460 -4.473 1.00 0.00 C ATOM 476 NH1 ARG A 30 13.948 -0.436 -5.242 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.511 -2.294 -4.016 1.00 0.00 N ATOM 0 H ARG A 30 6.504 0.323 -5.116 1.00 0.00 H new ATOM 0 HA ARG A 30 7.698 -1.747 -6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.235 0.009 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.704 0.112 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.647 -2.208 -4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.302 -2.147 -5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.572 -0.091 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.917 -0.153 -3.714 1.00 0.00 H new ATOM 0 HE ARG A 30 12.069 -2.478 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.241 0.208 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.931 -0.295 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.240 -3.081 -3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.492 -2.148 -4.253 1.00 0.00 H new ATOM 491 N VAL A 31 7.487 -3.632 -5.282 1.00 0.00 N ATOM 492 CA VAL A 31 7.347 -4.793 -4.415 1.00 0.00 C ATOM 493 C VAL A 31 8.708 -5.406 -4.117 1.00 0.00 C ATOM 494 O VAL A 31 9.523 -5.625 -5.015 1.00 0.00 O ATOM 495 CB VAL A 31 6.440 -5.876 -5.048 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.362 -7.131 -4.169 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.056 -5.314 -5.312 1.00 0.00 C ATOM 0 H VAL A 31 7.752 -3.861 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 31 6.885 -4.445 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 31 6.884 -6.173 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.717 -7.869 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.361 -7.549 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.953 -6.867 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.429 -6.086 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.613 -4.983 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.131 -4.469 -5.996 1.00 0.00 H new ATOM 507 N SER A 32 8.948 -5.648 -2.849 1.00 0.00 N ATOM 508 CA SER A 32 10.150 -6.318 -2.388 1.00 0.00 C ATOM 509 C SER A 32 9.789 -7.263 -1.246 1.00 0.00 C ATOM 510 O SER A 32 8.618 -7.569 -1.049 1.00 0.00 O ATOM 511 CB SER A 32 11.176 -5.281 -1.927 1.00 0.00 C ATOM 512 OG SER A 32 11.491 -4.378 -2.975 1.00 0.00 O ATOM 0 H SER A 32 8.310 -5.384 -2.098 1.00 0.00 H new ATOM 0 HA SER A 32 10.588 -6.896 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.783 -4.730 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.082 -5.785 -1.591 1.00 0.00 H new ATOM 0 HG SER A 32 12.450 -4.428 -3.173 1.00 0.00 H new ATOM 518 N GLU A 33 10.785 -7.743 -0.523 1.00 0.00 N ATOM 519 CA GLU A 33 10.551 -8.571 0.656 1.00 0.00 C ATOM 520 C GLU A 33 11.416 -8.067 1.815 1.00 0.00 C ATOM 521 O GLU A 33 12.648 -8.118 1.755 1.00 0.00 O ATOM 522 CB GLU A 33 10.815 -10.055 0.314 1.00 0.00 C ATOM 523 CG GLU A 33 11.322 -10.917 1.464 1.00 0.00 C ATOM 524 CD GLU A 33 10.361 -11.005 2.630 1.00 0.00 C ATOM 525 OE1 GLU A 33 9.359 -11.734 2.530 1.00 0.00 O ATOM 526 OE2 GLU A 33 10.627 -10.355 3.659 1.00 0.00 O ATOM 0 H GLU A 33 11.770 -7.575 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 33 9.511 -8.497 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.891 -10.492 -0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.542 -10.098 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.521 -11.922 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.271 -10.514 1.817 1.00 0.00 H new ATOM 533 N GLU A 34 10.756 -7.548 2.849 1.00 0.00 N ATOM 534 CA GLU A 34 11.438 -6.968 4.002 1.00 0.00 C ATOM 535 C GLU A 34 11.076 -7.688 5.297 1.00 0.00 C ATOM 536 O GLU A 34 9.932 -7.634 5.752 1.00 0.00 O ATOM 537 CB GLU A 34 11.111 -5.475 4.144 1.00 0.00 C ATOM 538 CG GLU A 34 11.985 -4.575 3.288 1.00 0.00 C ATOM 539 CD GLU A 34 13.447 -4.636 3.684 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.822 -3.971 4.674 1.00 0.00 O ATOM 541 OE2 GLU A 34 14.225 -5.350 3.014 1.00 0.00 O ATOM 0 H GLU A 34 9.738 -7.518 2.910 1.00 0.00 H new ATOM 0 HA GLU A 34 12.507 -7.088 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.067 -5.314 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.221 -5.186 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.883 -4.864 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.632 -3.547 3.371 1.00 0.00 H new ATOM 548 N SER A 35 12.063 -8.384 5.856 1.00 0.00 N ATOM 549 CA SER A 35 11.986 -8.937 7.208 1.00 0.00 C ATOM 550 C SER A 35 10.915 -10.028 7.353 1.00 0.00 C ATOM 551 O SER A 35 10.614 -10.459 8.469 1.00 0.00 O ATOM 552 CB SER A 35 11.748 -7.809 8.223 1.00 0.00 C ATOM 553 OG SER A 35 11.833 -8.287 9.553 1.00 0.00 O ATOM 0 H SER A 35 12.944 -8.582 5.382 1.00 0.00 H new ATOM 0 HA SER A 35 12.943 -9.418 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.483 -7.019 8.071 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.766 -7.367 8.055 1.00 0.00 H new ATOM 0 HG SER A 35 11.440 -9.183 9.604 1.00 0.00 H new ATOM 559 N GLY A 36 10.351 -10.484 6.248 1.00 0.00 N ATOM 560 CA GLY A 36 9.385 -11.547 6.308 1.00 0.00 C ATOM 561 C GLY A 36 8.021 -11.084 5.884 1.00 0.00 C ATOM 562 O GLY A 36 7.006 -11.661 6.277 1.00 0.00 O ATOM 0 H GLY A 36 10.548 -10.134 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.706 -12.367 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.337 -11.938 7.324 1.00 0.00 H new ATOM 566 N GLN A 37 7.995 -10.015 5.108 1.00 0.00 N ATOM 567 CA GLN A 37 6.784 -9.537 4.496 1.00 0.00 C ATOM 568 C GLN A 37 7.129 -9.072 3.104 1.00 0.00 C ATOM 569 O GLN A 37 8.197 -8.507 2.899 1.00 0.00 O ATOM 570 CB GLN A 37 6.186 -8.361 5.284 1.00 0.00 C ATOM 571 CG GLN A 37 6.100 -8.595 6.787 1.00 0.00 C ATOM 572 CD GLN A 37 4.922 -7.908 7.446 1.00 0.00 C ATOM 573 OE1 GLN A 37 3.763 -7.967 6.812 1.00 0.00 O flip ATOM 574 NE2 GLN A 37 5.038 -7.390 8.556 1.00 0.00 N flip ATOM 0 H GLN A 37 8.820 -9.457 4.888 1.00 0.00 H new ATOM 0 HA GLN A 37 6.046 -10.339 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.788 -7.471 5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.186 -8.153 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.036 -9.667 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.021 -8.244 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.949 -7.364 9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.223 -6.987 9.018 1.00 0.00 H new ATOM 583 N GLN A 38 6.261 -9.306 2.140 1.00 0.00 N ATOM 584 CA GLN A 38 6.416 -8.641 0.888 1.00 0.00 C ATOM 585 C GLN A 38 6.131 -7.207 1.174 1.00 0.00 C ATOM 586 O GLN A 38 5.205 -6.915 1.909 1.00 0.00 O ATOM 587 CB GLN A 38 5.420 -9.135 -0.143 1.00 0.00 C ATOM 588 CG GLN A 38 5.500 -10.603 -0.462 1.00 0.00 C ATOM 589 CD GLN A 38 4.248 -11.059 -1.178 1.00 0.00 C ATOM 590 OE1 GLN A 38 3.115 -10.526 -0.739 1.00 0.00 O flip ATOM 591 NE2 GLN A 38 4.286 -11.907 -2.069 1.00 0.00 N flip ATOM 0 H GLN A 38 5.463 -9.938 2.207 1.00 0.00 H new ATOM 0 HA GLN A 38 7.412 -8.818 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.414 -8.911 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.566 -8.571 -1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.373 -10.799 -1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.629 -11.174 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.182 -12.288 -2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.421 -12.229 -2.504 1.00 0.00 H new ATOM 600 N VAL A 39 6.917 -6.315 0.660 1.00 0.00 N ATOM 601 CA VAL A 39 6.781 -4.946 1.056 1.00 0.00 C ATOM 602 C VAL A 39 6.732 -4.034 -0.141 1.00 0.00 C ATOM 603 O VAL A 39 7.299 -4.317 -1.188 1.00 0.00 O ATOM 604 CB VAL A 39 7.875 -4.560 2.050 1.00 0.00 C ATOM 605 CG1 VAL A 39 7.819 -5.523 3.182 1.00 0.00 C ATOM 606 CG2 VAL A 39 9.214 -4.552 1.409 1.00 0.00 C ATOM 0 H VAL A 39 7.649 -6.503 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 39 5.828 -4.826 1.571 1.00 0.00 H new ATOM 0 HB VAL A 39 7.707 -3.546 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.590 -5.273 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.840 -5.469 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.986 -6.533 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.968 -4.273 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.437 -5.545 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.222 -3.832 0.591 1.00 0.00 H new ATOM 616 N LEU A 40 6.028 -2.964 0.033 1.00 0.00 N ATOM 617 CA LEU A 40 5.647 -2.095 -1.034 1.00 0.00 C ATOM 618 C LEU A 40 6.151 -0.703 -0.741 1.00 0.00 C ATOM 619 O LEU A 40 5.961 -0.166 0.354 1.00 0.00 O ATOM 620 CB LEU A 40 4.135 -2.168 -1.142 1.00 0.00 C ATOM 621 CG LEU A 40 3.444 -1.281 -2.193 1.00 0.00 C ATOM 622 CD1 LEU A 40 1.969 -1.610 -2.251 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.621 0.204 -1.910 1.00 0.00 C ATOM 0 H LEU A 40 5.692 -2.661 0.947 1.00 0.00 H new ATOM 0 HA LEU A 40 6.082 -2.387 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.864 -3.203 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.718 -1.918 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 40 3.918 -1.491 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.485 -0.979 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.840 -2.658 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.518 -1.430 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.114 0.784 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.193 0.442 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.683 0.450 -1.909 1.00 0.00 H new ATOM 635 N TRP A 41 6.793 -0.122 -1.724 1.00 0.00 N ATOM 636 CA TRP A 41 7.446 1.142 -1.535 1.00 0.00 C ATOM 637 C TRP A 41 6.964 2.093 -2.608 1.00 0.00 C ATOM 638 O TRP A 41 7.393 1.978 -3.757 1.00 0.00 O ATOM 639 CB TRP A 41 8.993 1.021 -1.663 1.00 0.00 C ATOM 640 CG TRP A 41 9.584 -0.261 -1.158 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.033 -1.483 -1.288 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.838 -0.467 -0.496 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.803 -2.428 -0.720 1.00 0.00 N ATOM 644 CE2 TRP A 41 10.927 -1.844 -0.225 1.00 0.00 C ATOM 645 CE3 TRP A 41 11.883 0.364 -0.087 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.000 -2.412 0.430 1.00 0.00 C ATOM 647 CZ3 TRP A 41 12.964 -0.205 0.565 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.013 -1.583 0.821 1.00 0.00 C ATOM 0 H TRP A 41 6.875 -0.508 -2.664 1.00 0.00 H new ATOM 0 HA TRP A 41 7.207 1.500 -0.533 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.263 1.137 -2.713 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.451 1.850 -1.123 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.094 -1.679 -1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.580 -3.422 -0.669 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.849 1.427 -0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.038 -3.473 0.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.783 0.423 0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.867 -1.996 1.337 1.00 0.00 H new ATOM 659 N VAL A 42 6.036 2.978 -2.295 1.00 0.00 N ATOM 660 CA VAL A 42 5.747 4.032 -3.249 1.00 0.00 C ATOM 661 C VAL A 42 5.310 5.388 -2.635 1.00 0.00 C ATOM 662 O VAL A 42 4.509 6.103 -3.234 1.00 0.00 O ATOM 663 CB VAL A 42 4.718 3.530 -4.292 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.305 3.485 -3.728 1.00 0.00 C ATOM 665 CG2 VAL A 42 4.780 4.349 -5.569 1.00 0.00 C ATOM 0 H VAL A 42 5.493 2.993 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 42 6.698 4.257 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 42 4.992 2.505 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.618 3.127 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.276 2.811 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.007 4.485 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.045 3.971 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.562 5.393 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.777 4.272 -6.002 1.00 0.00 H new ATOM 675 N PRO A 43 5.814 5.808 -1.453 1.00 0.00 N ATOM 676 CA PRO A 43 5.553 7.135 -0.953 1.00 0.00 C ATOM 677 C PRO A 43 6.750 8.060 -1.059 1.00 0.00 C ATOM 678 O PRO A 43 7.528 8.008 -2.010 1.00 0.00 O ATOM 679 CB PRO A 43 5.297 6.866 0.512 1.00 0.00 C ATOM 680 CG PRO A 43 6.051 5.619 0.838 1.00 0.00 C ATOM 681 CD PRO A 43 6.587 5.075 -0.451 1.00 0.00 C ATOM 0 HA PRO A 43 4.751 7.624 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.636 7.699 1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.232 6.740 0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.863 5.831 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.400 4.891 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.657 5.255 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.436 3.998 -0.531 1.00 0.00 H new ATOM 689 N ASP A 44 6.889 8.890 -0.038 1.00 0.00 N ATOM 690 CA ASP A 44 8.023 9.793 0.071 1.00 0.00 C ATOM 691 C ASP A 44 8.673 9.639 1.433 1.00 0.00 C ATOM 692 O ASP A 44 9.874 9.392 1.550 1.00 0.00 O ATOM 693 CB ASP A 44 7.568 11.244 -0.081 1.00 0.00 C ATOM 694 CG ASP A 44 8.690 12.166 -0.508 1.00 0.00 C ATOM 695 OD1 ASP A 44 9.493 12.563 0.356 1.00 0.00 O ATOM 696 OD2 ASP A 44 8.768 12.498 -1.711 1.00 0.00 O ATOM 0 H ASP A 44 6.225 8.957 0.733 1.00 0.00 H new ATOM 0 HA ASP A 44 8.732 9.545 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.764 11.293 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.157 11.593 0.866 1.00 0.00 H new ATOM 701 N GLU A 45 7.830 9.746 2.453 1.00 0.00 N ATOM 702 CA GLU A 45 8.269 9.846 3.843 1.00 0.00 C ATOM 703 C GLU A 45 7.084 10.209 4.719 1.00 0.00 C ATOM 704 O GLU A 45 6.622 9.411 5.523 1.00 0.00 O ATOM 705 CB GLU A 45 9.347 10.922 3.981 1.00 0.00 C ATOM 706 CG GLU A 45 9.705 11.263 5.412 1.00 0.00 C ATOM 707 CD GLU A 45 10.490 12.548 5.497 1.00 0.00 C ATOM 708 OE1 GLU A 45 9.871 13.626 5.400 1.00 0.00 O ATOM 709 OE2 GLU A 45 11.726 12.486 5.647 1.00 0.00 O ATOM 0 H GLU A 45 6.816 9.766 2.340 1.00 0.00 H new ATOM 0 HA GLU A 45 8.682 8.887 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.246 10.588 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.007 11.827 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.794 11.353 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.288 10.450 5.845 1.00 0.00 H new ATOM 716 N ARG A 46 6.591 11.422 4.539 1.00 0.00 N ATOM 717 CA ARG A 46 5.367 11.846 5.190 1.00 0.00 C ATOM 718 C ARG A 46 4.211 11.367 4.342 1.00 0.00 C ATOM 719 O ARG A 46 3.130 11.047 4.828 1.00 0.00 O ATOM 720 CB ARG A 46 5.337 13.367 5.347 1.00 0.00 C ATOM 721 CG ARG A 46 5.580 14.124 4.054 1.00 0.00 C ATOM 722 CD ARG A 46 7.009 14.633 3.983 1.00 0.00 C ATOM 723 NE ARG A 46 7.353 15.109 2.649 1.00 0.00 N ATOM 724 CZ ARG A 46 8.593 15.115 2.160 1.00 0.00 C ATOM 725 NH1 ARG A 46 9.615 14.701 2.900 1.00 0.00 N ATOM 726 NH2 ARG A 46 8.812 15.547 0.927 1.00 0.00 N ATOM 0 H ARG A 46 7.022 12.131 3.946 1.00 0.00 H new ATOM 0 HA ARG A 46 5.301 11.421 6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.369 13.661 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.091 13.662 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.379 13.472 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.887 14.963 3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.142 15.441 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.693 13.835 4.271 1.00 0.00 H new ATOM 0 HE ARG A 46 6.601 15.458 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.455 14.374 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.560 14.710 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.033 15.874 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.760 15.553 0.549 1.00 0.00 H new ATOM 740 N LEU A 47 4.497 11.283 3.050 1.00 0.00 N ATOM 741 CA LEU A 47 3.566 10.753 2.081 1.00 0.00 C ATOM 742 C LEU A 47 3.340 9.273 2.373 1.00 0.00 C ATOM 743 O LEU A 47 2.279 8.750 2.136 1.00 0.00 O ATOM 744 CB LEU A 47 4.127 10.971 0.668 1.00 0.00 C ATOM 745 CG LEU A 47 3.113 10.909 -0.476 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.709 11.501 -1.744 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.671 9.479 -0.732 1.00 0.00 C ATOM 0 H LEU A 47 5.386 11.583 2.650 1.00 0.00 H new ATOM 0 HA LEU A 47 2.607 11.267 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.617 11.944 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.897 10.221 0.485 1.00 0.00 H new ATOM 0 HG LEU A 47 2.241 11.494 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.976 11.450 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.981 12.541 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.598 10.937 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.950 9.462 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.537 8.873 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.208 9.075 0.168 1.00 0.00 H new ATOM 759 N ALA A 48 4.368 8.625 2.916 1.00 0.00 N ATOM 760 CA ALA A 48 4.314 7.229 3.351 1.00 0.00 C ATOM 761 C ALA A 48 3.038 6.888 4.112 1.00 0.00 C ATOM 762 O ALA A 48 2.453 5.817 3.917 1.00 0.00 O ATOM 763 CB ALA A 48 5.534 6.958 4.206 1.00 0.00 C ATOM 0 H ALA A 48 5.277 9.061 3.069 1.00 0.00 H new ATOM 0 HA ALA A 48 4.308 6.593 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.518 5.922 4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.436 7.135 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.527 7.622 5.070 1.00 0.00 H new ATOM 769 N GLU A 49 2.582 7.809 4.933 1.00 0.00 N ATOM 770 CA GLU A 49 1.406 7.573 5.751 1.00 0.00 C ATOM 771 C GLU A 49 0.175 7.700 4.877 1.00 0.00 C ATOM 772 O GLU A 49 -0.739 6.883 4.926 1.00 0.00 O ATOM 773 CB GLU A 49 1.367 8.574 6.905 1.00 0.00 C ATOM 774 CG GLU A 49 2.656 8.611 7.707 1.00 0.00 C ATOM 775 CD GLU A 49 2.627 9.632 8.825 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.610 9.704 9.548 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.623 10.366 8.987 1.00 0.00 O ATOM 0 H GLU A 49 3.006 8.729 5.054 1.00 0.00 H new ATOM 0 HA GLU A 49 1.437 6.571 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.165 9.569 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.540 8.321 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.844 7.624 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.487 8.835 7.039 1.00 0.00 H new ATOM 784 N GLN A 50 0.208 8.702 4.025 1.00 0.00 N ATOM 785 CA GLN A 50 -0.842 8.945 3.063 1.00 0.00 C ATOM 786 C GLN A 50 -0.917 7.796 2.058 1.00 0.00 C ATOM 787 O GLN A 50 -1.997 7.437 1.589 1.00 0.00 O ATOM 788 CB GLN A 50 -0.561 10.295 2.373 1.00 0.00 C ATOM 789 CG GLN A 50 -0.742 10.320 0.857 1.00 0.00 C ATOM 790 CD GLN A 50 -2.185 10.517 0.417 1.00 0.00 C ATOM 791 OE1 GLN A 50 -3.120 10.014 1.199 1.00 0.00 O flip ATOM 792 NE2 GLN A 50 -2.455 11.112 -0.628 1.00 0.00 N flip ATOM 0 H GLN A 50 0.972 9.376 3.981 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.812 8.995 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.217 11.048 2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.462 10.592 2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.132 11.121 0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.369 9.385 0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.706 11.488 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.428 11.228 -0.912 1.00 0.00 H new ATOM 801 N VAL A 51 0.215 7.160 1.802 1.00 0.00 N ATOM 802 CA VAL A 51 0.319 6.273 0.673 1.00 0.00 C ATOM 803 C VAL A 51 -0.300 4.937 1.011 1.00 0.00 C ATOM 804 O VAL A 51 -1.238 4.521 0.391 1.00 0.00 O ATOM 805 CB VAL A 51 1.789 6.136 0.166 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.586 5.048 0.866 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.817 5.930 -1.337 1.00 0.00 C ATOM 0 H VAL A 51 1.064 7.245 2.361 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.240 6.705 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 51 2.280 7.076 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.596 5.017 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.633 5.261 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.101 4.084 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.850 5.837 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.270 5.022 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.351 6.783 -1.830 1.00 0.00 H new ATOM 817 N ARG A 52 0.173 4.286 2.029 1.00 0.00 N ATOM 818 CA ARG A 52 -0.357 2.982 2.354 1.00 0.00 C ATOM 819 C ARG A 52 -1.618 3.099 3.188 1.00 0.00 C ATOM 820 O ARG A 52 -2.600 2.395 2.953 1.00 0.00 O ATOM 821 CB ARG A 52 0.717 2.153 3.044 1.00 0.00 C ATOM 822 CG ARG A 52 1.427 2.887 4.170 1.00 0.00 C ATOM 823 CD ARG A 52 1.439 2.078 5.440 1.00 0.00 C ATOM 824 NE ARG A 52 1.973 2.838 6.570 1.00 0.00 N ATOM 825 CZ ARG A 52 2.200 2.320 7.777 1.00 0.00 C ATOM 826 NH1 ARG A 52 1.925 1.046 8.022 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.673 3.089 8.749 1.00 0.00 N ATOM 0 H ARG A 52 0.913 4.622 2.645 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.641 2.468 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.263 1.246 3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.454 1.841 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.451 3.110 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.933 3.842 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.425 1.750 5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.038 1.180 5.292 1.00 0.00 H new ATOM 0 HE ARG A 52 2.185 3.825 6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.538 0.457 7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.101 0.655 8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.863 4.076 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.847 2.694 9.673 1.00 0.00 H new ATOM 841 N GLU A 53 -1.623 4.045 4.106 1.00 0.00 N ATOM 842 CA GLU A 53 -2.681 4.120 5.088 1.00 0.00 C ATOM 843 C GLU A 53 -3.892 4.840 4.560 1.00 0.00 C ATOM 844 O GLU A 53 -4.971 4.700 5.120 1.00 0.00 O ATOM 845 CB GLU A 53 -2.194 4.803 6.348 1.00 0.00 C ATOM 846 CG GLU A 53 -0.944 4.164 6.905 1.00 0.00 C ATOM 847 CD GLU A 53 -0.448 4.829 8.168 1.00 0.00 C ATOM 848 OE1 GLU A 53 -1.170 4.787 9.183 1.00 0.00 O ATOM 849 OE2 GLU A 53 0.678 5.367 8.155 1.00 0.00 O ATOM 0 H GLU A 53 -0.909 4.768 4.191 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.971 3.095 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.997 5.854 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.981 4.772 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.142 3.112 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.158 4.200 6.150 1.00 0.00 H new ATOM 856 N LEU A 54 -3.733 5.641 3.529 1.00 0.00 N ATOM 857 CA LEU A 54 -4.896 6.244 2.920 1.00 0.00 C ATOM 858 C LEU A 54 -5.251 5.549 1.629 1.00 0.00 C ATOM 859 O LEU A 54 -6.412 5.464 1.304 1.00 0.00 O ATOM 860 CB LEU A 54 -4.763 7.754 2.727 1.00 0.00 C ATOM 861 CG LEU A 54 -4.844 8.551 4.025 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.570 8.365 4.820 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.102 10.021 3.745 1.00 0.00 C ATOM 0 H LEU A 54 -2.838 5.884 3.105 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.718 6.106 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.811 7.966 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.549 8.095 2.053 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.682 8.178 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.632 8.936 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.438 7.309 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.721 8.716 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.155 10.567 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.291 10.423 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.045 10.129 3.209 1.00 0.00 H new ATOM 875 N TYR A 55 -4.287 4.991 0.913 1.00 0.00 N ATOM 876 CA TYR A 55 -4.636 4.281 -0.318 1.00 0.00 C ATOM 877 C TYR A 55 -5.576 3.154 0.020 1.00 0.00 C ATOM 878 O TYR A 55 -6.429 2.793 -0.774 1.00 0.00 O ATOM 879 CB TYR A 55 -3.434 3.708 -1.064 1.00 0.00 C ATOM 880 CG TYR A 55 -2.649 4.714 -1.891 1.00 0.00 C ATOM 881 CD1 TYR A 55 -2.996 6.054 -1.915 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.546 4.312 -2.633 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.273 6.968 -2.655 1.00 0.00 C ATOM 884 CE2 TYR A 55 -0.818 5.217 -3.379 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.186 6.544 -3.387 1.00 0.00 C ATOM 886 OH TYR A 55 -0.461 7.449 -4.125 1.00 0.00 O ATOM 0 H TYR A 55 -3.294 5.010 1.145 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.097 5.014 -0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.760 3.252 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.781 2.911 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.849 6.391 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.253 3.273 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.558 8.010 -2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.035 4.886 -3.953 1.00 0.00 H new ATOM 0 HH TYR A 55 0.273 6.986 -4.581 1.00 0.00 H new ATOM 896 N ARG A 56 -5.431 2.620 1.224 1.00 0.00 N ATOM 897 CA ARG A 56 -6.319 1.563 1.678 1.00 0.00 C ATOM 898 C ARG A 56 -7.758 2.031 1.954 1.00 0.00 C ATOM 899 O ARG A 56 -8.624 1.198 2.198 1.00 0.00 O ATOM 900 CB ARG A 56 -5.762 0.880 2.924 1.00 0.00 C ATOM 901 CG ARG A 56 -5.337 1.834 3.988 1.00 0.00 C ATOM 902 CD ARG A 56 -5.054 1.124 5.306 1.00 0.00 C ATOM 903 NE ARG A 56 -4.728 2.071 6.375 1.00 0.00 N ATOM 904 CZ ARG A 56 -4.731 1.769 7.677 1.00 0.00 C ATOM 905 NH1 ARG A 56 -5.063 0.554 8.090 1.00 0.00 N ATOM 906 NH2 ARG A 56 -4.393 2.692 8.573 1.00 0.00 N ATOM 0 H ARG A 56 -4.716 2.898 1.896 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.368 0.856 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.520 0.210 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.910 0.263 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.443 2.366 3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.116 2.581 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.924 0.535 5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.227 0.427 5.173 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.482 3.024 6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.320 -0.163 7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.061 0.336 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.132 3.629 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.395 2.463 9.567 1.00 0.00 H new ATOM 920 N ARG A 57 -8.051 3.341 1.918 1.00 0.00 N ATOM 921 CA ARG A 57 -9.339 3.793 2.447 1.00 0.00 C ATOM 922 C ARG A 57 -9.847 5.103 1.838 1.00 0.00 C ATOM 923 O ARG A 57 -11.053 5.283 1.704 1.00 0.00 O ATOM 924 CB ARG A 57 -9.246 3.902 3.971 1.00 0.00 C ATOM 925 CG ARG A 57 -7.833 4.181 4.449 1.00 0.00 C ATOM 926 CD ARG A 57 -7.665 3.981 5.943 1.00 0.00 C ATOM 927 NE ARG A 57 -8.551 4.819 6.739 1.00 0.00 N ATOM 928 CZ ARG A 57 -8.175 5.973 7.285 1.00 0.00 C ATOM 929 NH1 ARG A 57 -6.958 6.457 7.048 1.00 0.00 N ATOM 930 NH2 ARG A 57 -9.012 6.650 8.057 1.00 0.00 N ATOM 0 H ARG A 57 -7.444 4.072 1.546 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.077 3.044 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.906 4.698 4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.602 2.975 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.140 3.527 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.564 5.205 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.851 2.935 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.632 4.193 6.217 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.510 4.505 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.313 5.943 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.670 7.342 7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.949 6.287 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.720 7.534 8.474 1.00 0.00 H new ATOM 944 N TYR A 58 -8.946 6.009 1.484 1.00 0.00 N ATOM 945 CA TYR A 58 -9.340 7.303 0.932 1.00 0.00 C ATOM 946 C TYR A 58 -9.177 7.335 -0.594 1.00 0.00 C ATOM 947 O TYR A 58 -10.168 7.427 -1.286 1.00 0.00 O ATOM 948 CB TYR A 58 -8.593 8.449 1.626 1.00 0.00 C ATOM 949 CG TYR A 58 -9.119 8.747 3.007 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.116 7.767 3.977 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.621 9.998 3.336 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.602 8.008 5.240 1.00 0.00 C ATOM 953 CE2 TYR A 58 -10.110 10.256 4.603 1.00 0.00 C ATOM 954 CZ TYR A 58 -10.100 9.256 5.553 1.00 0.00 C ATOM 955 OH TYR A 58 -10.595 9.502 6.814 1.00 0.00 O ATOM 0 H TYR A 58 -7.938 5.875 1.568 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.401 7.448 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.535 8.197 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.668 9.347 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.723 6.789 3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.630 10.781 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.594 7.225 5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.497 11.234 4.847 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.905 10.430 6.868 1.00 0.00 H new ATOM 965 N PRO A 59 -7.945 7.301 -1.150 1.00 0.00 N ATOM 966 CA PRO A 59 -7.729 7.049 -2.588 1.00 0.00 C ATOM 967 C PRO A 59 -8.506 5.848 -3.148 1.00 0.00 C ATOM 968 O PRO A 59 -9.032 5.915 -4.259 1.00 0.00 O ATOM 969 CB PRO A 59 -6.227 6.799 -2.644 1.00 0.00 C ATOM 970 CG PRO A 59 -5.696 7.714 -1.609 1.00 0.00 C ATOM 971 CD PRO A 59 -6.671 7.631 -0.483 1.00 0.00 C ATOM 0 HA PRO A 59 -8.085 7.877 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.983 5.759 -2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.817 7.023 -3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.698 7.413 -1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.615 8.733 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.386 6.865 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.736 8.573 0.061 1.00 0.00 H new ATOM 979 N GLU A 60 -8.588 4.752 -2.398 1.00 0.00 N ATOM 980 CA GLU A 60 -9.368 3.600 -2.852 1.00 0.00 C ATOM 981 C GLU A 60 -10.816 3.814 -2.459 1.00 0.00 C ATOM 982 O GLU A 60 -11.745 3.302 -3.081 1.00 0.00 O ATOM 983 CB GLU A 60 -8.820 2.297 -2.275 1.00 0.00 C ATOM 984 CG GLU A 60 -9.449 1.054 -2.866 1.00 0.00 C ATOM 985 CD GLU A 60 -9.461 1.074 -4.381 1.00 0.00 C ATOM 986 OE1 GLU A 60 -8.410 0.809 -4.991 1.00 0.00 O ATOM 987 OE2 GLU A 60 -10.527 1.371 -4.960 1.00 0.00 O ATOM 0 H GLU A 60 -8.135 4.636 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.295 3.514 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.743 2.262 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.977 2.294 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.903 0.176 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.471 0.958 -2.499 1.00 0.00 H new ATOM 994 N GLY A 61 -10.989 4.620 -1.429 1.00 0.00 N ATOM 995 CA GLY A 61 -12.300 5.090 -1.045 1.00 0.00 C ATOM 996 C GLY A 61 -12.761 6.222 -1.931 1.00 0.00 C ATOM 997 O GLY A 61 -13.777 6.865 -1.678 1.00 0.00 O ATOM 0 H GLY A 61 -10.230 4.963 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.014 4.268 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.279 5.423 -0.007 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.016 6.426 -2.993 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.222 7.565 -3.874 1.00 0.00 C ATOM 1003 C ASP A 62 -12.685 7.067 -5.216 1.00 0.00 C ATOM 1004 O ASP A 62 -12.001 6.250 -5.818 1.00 0.00 O ATOM 1005 CB ASP A 62 -10.931 8.382 -4.020 1.00 0.00 C ATOM 1006 CG ASP A 62 -11.097 9.602 -4.904 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -11.579 10.640 -4.409 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -10.742 9.528 -6.100 1.00 0.00 O ATOM 0 H ASP A 62 -11.251 5.813 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.981 8.219 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.595 8.699 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.149 7.745 -4.433 1.00 0.00 H new ATOM 1013 N PRO A 63 -13.806 7.623 -5.713 1.00 0.00 N ATOM 1014 CA PRO A 63 -14.636 7.115 -6.796 1.00 0.00 C ATOM 1015 C PRO A 63 -14.104 5.878 -7.516 1.00 0.00 C ATOM 1016 O PRO A 63 -13.879 5.883 -8.730 1.00 0.00 O ATOM 1017 CB PRO A 63 -14.699 8.355 -7.680 1.00 0.00 C ATOM 1018 CG PRO A 63 -14.710 9.503 -6.696 1.00 0.00 C ATOM 1019 CD PRO A 63 -14.326 8.928 -5.341 1.00 0.00 C ATOM 0 HA PRO A 63 -15.598 6.729 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.841 8.412 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.592 8.355 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.007 10.278 -7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.696 9.966 -6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.578 9.538 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.182 8.852 -4.671 1.00 0.00 H new ATOM 1027 N GLN A 64 -13.915 4.820 -6.741 1.00 0.00 N ATOM 1028 CA GLN A 64 -13.564 3.522 -7.272 1.00 0.00 C ATOM 1029 C GLN A 64 -14.320 2.453 -6.526 1.00 0.00 C ATOM 1030 O GLN A 64 -15.181 1.783 -7.100 1.00 0.00 O ATOM 1031 CB GLN A 64 -12.071 3.197 -7.158 1.00 0.00 C ATOM 1032 CG GLN A 64 -11.143 4.157 -7.883 1.00 0.00 C ATOM 1033 CD GLN A 64 -9.735 3.602 -8.028 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -9.334 2.735 -7.114 1.00 0.00 O flip ATOM 1035 NE2 GLN A 64 -9.019 3.939 -8.972 1.00 0.00 N flip ATOM 0 H GLN A 64 -14.002 4.843 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.824 3.549 -8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.799 3.181 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.904 2.192 -7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.549 4.374 -8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.105 5.101 -7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.363 4.611 -9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.083 3.546 -9.067 1.00 0.00 H new ATOM 1044 N ALA A 65 -14.029 2.305 -5.236 1.00 0.00 N ATOM 1045 CA ALA A 65 -14.490 1.117 -4.539 1.00 0.00 C ATOM 1046 C ALA A 65 -14.667 1.324 -3.046 1.00 0.00 C ATOM 1047 O ALA A 65 -15.772 1.553 -2.556 1.00 0.00 O ATOM 1048 CB ALA A 65 -13.486 0.003 -4.777 1.00 0.00 C ATOM 0 H ALA A 65 -13.496 2.968 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.474 0.865 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.814 -0.899 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.411 -0.197 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.511 0.305 -4.395 1.00 0.00 H new ATOM 1054 N THR A 66 -13.557 1.240 -2.350 1.00 0.00 N ATOM 1055 CA THR A 66 -13.496 1.216 -0.914 1.00 0.00 C ATOM 1056 C THR A 66 -14.026 2.523 -0.301 1.00 0.00 C ATOM 1057 O THR A 66 -14.444 3.425 -1.022 1.00 0.00 O ATOM 1058 CB THR A 66 -12.008 0.961 -0.601 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.675 -0.386 -0.958 1.00 0.00 O ATOM 1060 CG2 THR A 66 -11.605 1.209 0.831 1.00 0.00 C ATOM 0 H THR A 66 -12.638 1.185 -2.789 1.00 0.00 H new ATOM 0 HA THR A 66 -14.131 0.445 -0.477 1.00 0.00 H new ATOM 0 HB THR A 66 -11.453 1.688 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.729 -0.552 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.542 1.002 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.804 2.249 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.178 0.555 1.489 1.00 0.00 H new ATOM 1068 N LEU A 67 -14.095 2.567 1.024 1.00 0.00 N ATOM 1069 CA LEU A 67 -14.256 3.794 1.774 1.00 0.00 C ATOM 1070 C LEU A 67 -14.252 3.473 3.256 1.00 0.00 C ATOM 1071 O LEU A 67 -15.208 2.895 3.767 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.524 4.558 1.402 1.00 0.00 C ATOM 1073 CG LEU A 67 -15.509 6.002 1.876 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -14.245 6.671 1.371 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -16.745 6.746 1.393 1.00 0.00 C ATOM 0 H LEU A 67 -14.039 1.735 1.611 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.420 4.446 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.649 4.538 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.387 4.049 1.832 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.522 6.025 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.224 7.708 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.374 6.146 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.228 6.641 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.710 7.777 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.773 6.736 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.639 6.259 1.784 1.00 0.00 H new ATOM 1087 N GLU A 68 -13.141 3.820 3.912 1.00 0.00 N ATOM 1088 CA GLU A 68 -12.880 3.498 5.324 1.00 0.00 C ATOM 1089 C GLU A 68 -13.179 2.023 5.634 1.00 0.00 C ATOM 1090 O GLU A 68 -13.477 1.656 6.772 1.00 0.00 O ATOM 1091 CB GLU A 68 -13.646 4.441 6.272 1.00 0.00 C ATOM 1092 CG GLU A 68 -15.138 4.176 6.391 1.00 0.00 C ATOM 1093 CD GLU A 68 -15.816 5.152 7.323 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -15.659 5.013 8.555 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -16.486 6.080 6.828 1.00 0.00 O ATOM 0 H GLU A 68 -12.383 4.342 3.472 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.816 3.656 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.201 4.370 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.502 5.466 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.597 4.239 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.298 3.160 6.752 1.00 0.00 H new ATOM 1102 N ALA A 69 -13.054 1.183 4.614 1.00 0.00 N ATOM 1103 CA ALA A 69 -13.321 -0.243 4.747 1.00 0.00 C ATOM 1104 C ALA A 69 -12.028 -1.029 4.741 1.00 0.00 C ATOM 1105 O ALA A 69 -12.047 -2.258 4.714 1.00 0.00 O ATOM 1106 CB ALA A 69 -14.193 -0.725 3.607 1.00 0.00 C ATOM 0 H ALA A 69 -12.767 1.469 3.678 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.837 -0.400 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.383 -1.792 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.139 -0.184 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.685 -0.546 2.659 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.922 -0.289 4.736 1.00 0.00 N ATOM 1113 CA ALA A 70 -9.571 -0.851 4.680 1.00 0.00 C ATOM 1114 C ALA A 70 -9.450 -2.116 5.512 1.00 0.00 C ATOM 1115 O ALA A 70 -9.455 -2.068 6.744 1.00 0.00 O ATOM 1116 CB ALA A 70 -8.564 0.178 5.160 1.00 0.00 C ATOM 0 H ALA A 70 -10.937 0.730 4.771 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.365 -1.114 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.561 -0.246 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.613 1.060 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.794 0.460 6.187 1.00 0.00 H new TER 1122 ALA A 70