USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 954 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 71 TYR OH : rot 74:sc= 1.28 USER MOD Set 1.2: A 74 SER OG : rot 150:sc= 0.259 USER MOD Set 1.3: A 87 HIS : no HD1:sc= 1.78 K(o=3.3,f=-9.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 166:sc= -0.0956 (180deg=-0.512) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.895 K(o=-0.9,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= -0.0199 (180deg=-0.0715) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 50 GLN : amide:sc= 1.09 K(o=1.1,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0571 X(o=-0.057,f=-0.001) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= 0.531 K(o=0.53,f=-4.1!) USER MOD Single : A 90 HIS : no HE2:sc= -4.91! C(o=-4.5!,f=-13!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 101 HIS : no HD1:sc= -0.0856 X(o=-0.086,f=0) USER MOD Single : A 103 HIS : no HE2:sc= -2.57 K(o=-2.6,f=-0.93) USER MOD Single : A 104 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.06) USER MOD Single : A 109 CYS SG : rot 28:sc= -0.104 USER MOD Single : A 110 SER OG : rot 180:sc= -0.356 USER MOD Single : A 116 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.71) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -160:sc= -0.155 (180deg=-0.713) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -18.498 -9.966 -4.333 1.00 0.00 N ATOM 79 CA LYS A 7 -18.333 -8.568 -4.692 1.00 0.00 C ATOM 80 C LYS A 7 -16.867 -8.206 -4.555 1.00 0.00 C ATOM 81 O LYS A 7 -16.199 -8.696 -3.649 1.00 0.00 O ATOM 82 CB LYS A 7 -19.191 -7.656 -3.802 1.00 0.00 C ATOM 83 CG LYS A 7 -20.695 -7.747 -4.058 1.00 0.00 C ATOM 84 CD LYS A 7 -21.289 -9.073 -3.594 1.00 0.00 C ATOM 85 CE LYS A 7 -21.114 -9.280 -2.096 1.00 0.00 C ATOM 86 NZ LYS A 7 -21.663 -10.589 -1.648 1.00 0.00 N ATOM 0 HA LYS A 7 -18.664 -8.422 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.998 -7.904 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.873 -6.624 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.198 -6.928 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.887 -7.620 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -22.350 -9.103 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.812 -9.892 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.055 -9.225 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -21.613 -8.474 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -21.524 -10.691 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -22.679 -10.632 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -21.170 -11.360 -2.142 1.00 0.00 H new ATOM 100 N MET A 8 -16.361 -7.371 -5.445 1.00 0.00 N ATOM 101 CA MET A 8 -14.943 -7.055 -5.447 1.00 0.00 C ATOM 102 C MET A 8 -14.675 -5.674 -4.876 1.00 0.00 C ATOM 103 O MET A 8 -15.250 -4.675 -5.306 1.00 0.00 O ATOM 104 CB MET A 8 -14.356 -7.177 -6.856 1.00 0.00 C ATOM 105 CG MET A 8 -14.133 -8.615 -7.291 1.00 0.00 C ATOM 106 SD MET A 8 -13.568 -8.756 -9.001 1.00 0.00 S ATOM 107 CE MET A 8 -12.068 -7.775 -8.950 1.00 0.00 C ATOM 0 H MET A 8 -16.905 -6.903 -6.170 1.00 0.00 H new ATOM 0 HA MET A 8 -14.449 -7.782 -4.803 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.026 -6.690 -7.565 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.407 -6.642 -6.895 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.399 -9.078 -6.632 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.062 -9.172 -7.174 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.478 -7.965 -9.847 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.327 -6.717 -8.903 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.486 -8.046 -8.069 1.00 0.00 H new ATOM 117 N ILE A 9 -13.794 -5.648 -3.895 1.00 0.00 N ATOM 118 CA ILE A 9 -13.370 -4.429 -3.236 1.00 0.00 C ATOM 119 C ILE A 9 -11.953 -4.102 -3.675 1.00 0.00 C ATOM 120 O ILE A 9 -11.044 -4.898 -3.473 1.00 0.00 O ATOM 121 CB ILE A 9 -13.393 -4.608 -1.702 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.804 -4.963 -1.227 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.874 -3.375 -0.970 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.946 -4.988 0.279 1.00 0.00 C ATOM 0 H ILE A 9 -13.346 -6.487 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.050 -3.622 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.720 -5.431 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.510 -4.241 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.078 -5.940 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.909 -3.549 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.845 -3.179 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.496 -2.515 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.971 -5.247 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.265 -5.730 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.704 -4.005 0.684 1.00 0.00 H new ATOM 136 N GLU A 10 -11.752 -2.946 -4.270 1.00 0.00 N ATOM 137 CA GLU A 10 -10.433 -2.586 -4.762 1.00 0.00 C ATOM 138 C GLU A 10 -9.753 -1.656 -3.776 1.00 0.00 C ATOM 139 O GLU A 10 -10.300 -0.614 -3.410 1.00 0.00 O ATOM 140 CB GLU A 10 -10.506 -1.930 -6.146 1.00 0.00 C ATOM 141 CG GLU A 10 -10.799 -2.903 -7.280 1.00 0.00 C ATOM 142 CD GLU A 10 -9.616 -3.076 -8.219 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.409 -2.206 -9.092 1.00 0.00 O ATOM 144 OE2 GLU A 10 -8.880 -4.082 -8.091 1.00 0.00 O ATOM 0 H GLU A 10 -12.475 -2.243 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.849 -3.501 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.279 -1.162 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.560 -1.427 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.071 -3.872 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.659 -2.547 -7.847 1.00 0.00 H new ATOM 151 N VAL A 11 -8.576 -2.053 -3.329 1.00 0.00 N ATOM 152 CA VAL A 11 -7.801 -1.255 -2.400 1.00 0.00 C ATOM 153 C VAL A 11 -6.412 -1.028 -2.969 1.00 0.00 C ATOM 154 O VAL A 11 -5.713 -1.974 -3.334 1.00 0.00 O ATOM 155 CB VAL A 11 -7.691 -1.928 -1.013 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.838 -1.093 -0.066 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.072 -2.153 -0.414 1.00 0.00 C ATOM 0 H VAL A 11 -8.133 -2.932 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.315 -0.303 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.207 -2.895 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.777 -1.590 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.836 -0.982 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.290 -0.109 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.972 -2.628 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.580 -1.195 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.654 -2.797 -1.073 1.00 0.00 H new ATOM 167 N VAL A 12 -6.023 0.219 -3.070 1.00 0.00 N ATOM 168 CA VAL A 12 -4.726 0.557 -3.605 1.00 0.00 C ATOM 169 C VAL A 12 -3.761 0.890 -2.477 1.00 0.00 C ATOM 170 O VAL A 12 -4.104 1.621 -1.545 1.00 0.00 O ATOM 171 CB VAL A 12 -4.817 1.722 -4.612 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.418 1.240 -5.922 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.644 2.869 -4.046 1.00 0.00 C ATOM 0 H VAL A 12 -6.588 1.020 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.347 -0.311 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.808 2.089 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.476 2.072 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.791 0.454 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.419 0.847 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.692 3.677 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.652 2.517 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.180 3.235 -3.130 1.00 0.00 H new ATOM 183 N ALA A 13 -2.568 0.324 -2.550 1.00 0.00 N ATOM 184 CA ALA A 13 -1.554 0.532 -1.537 1.00 0.00 C ATOM 185 C ALA A 13 -0.350 1.238 -2.143 1.00 0.00 C ATOM 186 O ALA A 13 0.168 0.822 -3.183 1.00 0.00 O ATOM 187 CB ALA A 13 -1.141 -0.798 -0.918 1.00 0.00 C ATOM 0 H ALA A 13 -2.278 -0.290 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.967 1.162 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.378 -0.625 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.009 -1.271 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.740 -1.451 -1.693 1.00 0.00 H new ATOM 193 N ALA A 14 0.087 2.301 -1.498 1.00 0.00 N ATOM 194 CA ALA A 14 1.194 3.090 -1.996 1.00 0.00 C ATOM 195 C ALA A 14 2.454 2.780 -1.217 1.00 0.00 C ATOM 196 O ALA A 14 2.550 3.068 -0.024 1.00 0.00 O ATOM 197 CB ALA A 14 0.882 4.574 -1.905 1.00 0.00 C ATOM 0 H ALA A 14 -0.311 2.639 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 14 1.351 2.831 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.728 5.148 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.004 4.797 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.698 4.844 -0.865 1.00 0.00 H new ATOM 203 N ILE A 15 3.419 2.192 -1.892 1.00 0.00 N ATOM 204 CA ILE A 15 4.691 1.900 -1.282 1.00 0.00 C ATOM 205 C ILE A 15 5.632 3.067 -1.518 1.00 0.00 C ATOM 206 O ILE A 15 6.177 3.232 -2.615 1.00 0.00 O ATOM 207 CB ILE A 15 5.300 0.591 -1.841 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.442 -0.605 -1.411 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.744 0.416 -1.391 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.149 -1.940 -1.514 1.00 0.00 C ATOM 0 H ILE A 15 3.342 1.907 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 15 4.542 1.756 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 15 5.305 0.648 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.119 -0.455 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.543 -0.634 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.143 -0.512 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.341 1.256 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.784 0.379 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.475 -2.734 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.448 -2.115 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.033 -1.934 -0.877 1.00 0.00 H new ATOM 222 N ILE A 16 5.797 3.900 -0.501 1.00 0.00 N ATOM 223 CA ILE A 16 6.654 5.065 -0.605 1.00 0.00 C ATOM 224 C ILE A 16 8.070 4.637 -0.280 1.00 0.00 C ATOM 225 O ILE A 16 8.401 4.440 0.884 1.00 0.00 O ATOM 226 CB ILE A 16 6.246 6.172 0.399 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.725 6.193 0.624 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.739 7.538 -0.082 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.948 6.922 -0.441 1.00 0.00 C ATOM 0 H ILE A 16 5.346 3.788 0.407 1.00 0.00 H new ATOM 0 HA ILE A 16 6.567 5.466 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 16 6.719 5.947 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.364 5.166 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.519 6.657 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.444 8.304 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.825 7.522 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.299 7.762 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.885 6.888 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.277 7.960 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.119 6.446 -1.407 1.00 0.00 H new ATOM 241 N GLU A 17 8.896 4.461 -1.289 1.00 0.00 N ATOM 242 CA GLU A 17 10.237 3.965 -1.061 1.00 0.00 C ATOM 243 C GLU A 17 11.260 4.932 -1.616 1.00 0.00 C ATOM 244 O GLU A 17 11.248 5.259 -2.804 1.00 0.00 O ATOM 245 CB GLU A 17 10.402 2.561 -1.665 1.00 0.00 C ATOM 246 CG GLU A 17 11.803 1.966 -1.538 1.00 0.00 C ATOM 247 CD GLU A 17 12.768 2.478 -2.594 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.479 2.295 -3.797 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.812 3.053 -2.230 1.00 0.00 O ATOM 0 H GLU A 17 8.667 4.651 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 17 10.404 3.885 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.693 1.888 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.135 2.602 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.200 2.196 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.738 0.880 -1.610 1.00 0.00 H new ATOM 256 N ARG A 18 12.134 5.388 -0.740 1.00 0.00 N ATOM 257 CA ARG A 18 13.234 6.245 -1.123 1.00 0.00 C ATOM 258 C ARG A 18 14.385 6.034 -0.154 1.00 0.00 C ATOM 259 O ARG A 18 14.156 5.722 1.017 1.00 0.00 O ATOM 260 CB ARG A 18 12.811 7.715 -1.156 1.00 0.00 C ATOM 261 CG ARG A 18 13.633 8.557 -2.128 1.00 0.00 C ATOM 262 CD ARG A 18 13.266 8.280 -3.588 1.00 0.00 C ATOM 263 NE ARG A 18 13.351 6.858 -3.932 1.00 0.00 N ATOM 264 CZ ARG A 18 13.552 6.383 -5.160 1.00 0.00 C ATOM 265 NH1 ARG A 18 13.668 7.206 -6.198 1.00 0.00 N ATOM 266 NH2 ARG A 18 13.620 5.069 -5.355 1.00 0.00 N ATOM 0 H ARG A 18 12.100 5.174 0.257 1.00 0.00 H new ATOM 0 HA ARG A 18 13.554 5.983 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.758 7.777 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.903 8.135 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.478 9.614 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.693 8.352 -1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.253 8.636 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.930 8.848 -4.239 1.00 0.00 H new ATOM 0 HE ARG A 18 13.249 6.182 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.603 8.214 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.822 6.829 -7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.518 4.430 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.774 4.700 -6.293 1.00 0.00 H new ATOM 280 N ASP A 19 15.612 6.148 -0.665 1.00 0.00 N ATOM 281 CA ASP A 19 16.834 5.898 0.112 1.00 0.00 C ATOM 282 C ASP A 19 17.023 4.408 0.343 1.00 0.00 C ATOM 283 O ASP A 19 17.980 3.984 0.994 1.00 0.00 O ATOM 284 CB ASP A 19 16.824 6.617 1.471 1.00 0.00 C ATOM 285 CG ASP A 19 16.695 8.120 1.350 1.00 0.00 C ATOM 286 OD1 ASP A 19 17.732 8.804 1.231 1.00 0.00 O ATOM 287 OD2 ASP A 19 15.555 8.629 1.392 1.00 0.00 O ATOM 0 H ASP A 19 15.790 6.417 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 19 17.661 6.295 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.998 6.235 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.743 6.380 2.007 1.00 0.00 H new ATOM 292 N GLY A 20 16.105 3.617 -0.190 1.00 0.00 N ATOM 293 CA GLY A 20 16.128 2.194 0.030 1.00 0.00 C ATOM 294 C GLY A 20 15.157 1.800 1.115 1.00 0.00 C ATOM 295 O GLY A 20 15.111 0.643 1.530 1.00 0.00 O ATOM 0 H GLY A 20 15.338 3.944 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.876 1.675 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.135 1.881 0.307 1.00 0.00 H new ATOM 299 N LYS A 21 14.377 2.772 1.580 1.00 0.00 N ATOM 300 CA LYS A 21 13.461 2.543 2.688 1.00 0.00 C ATOM 301 C LYS A 21 12.014 2.826 2.310 1.00 0.00 C ATOM 302 O LYS A 21 11.729 3.716 1.510 1.00 0.00 O ATOM 303 CB LYS A 21 13.863 3.397 3.886 1.00 0.00 C ATOM 304 CG LYS A 21 15.319 3.225 4.269 1.00 0.00 C ATOM 305 CD LYS A 21 15.538 3.477 5.749 1.00 0.00 C ATOM 306 CE LYS A 21 16.765 2.742 6.254 1.00 0.00 C ATOM 307 NZ LYS A 21 17.211 3.248 7.579 1.00 0.00 N ATOM 0 H LYS A 21 14.362 3.721 1.207 1.00 0.00 H new ATOM 0 HA LYS A 21 13.529 1.487 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.674 4.446 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.235 3.137 4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.645 2.216 4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.933 3.912 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.653 4.546 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.661 3.154 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.545 1.677 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.575 2.851 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.052 2.719 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.446 4.258 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.448 3.121 8.274 1.00 0.00 H new ATOM 321 N ILE A 22 11.114 2.064 2.914 1.00 0.00 N ATOM 322 CA ILE A 22 9.691 2.161 2.644 1.00 0.00 C ATOM 323 C ILE A 22 8.975 2.873 3.786 1.00 0.00 C ATOM 324 O ILE A 22 9.378 2.768 4.950 1.00 0.00 O ATOM 325 CB ILE A 22 9.071 0.761 2.463 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.986 -0.119 1.612 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.688 0.866 1.830 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.435 -1.503 1.384 1.00 0.00 C ATOM 0 H ILE A 22 11.354 1.357 3.609 1.00 0.00 H new ATOM 0 HA ILE A 22 9.569 2.732 1.724 1.00 0.00 H new ATOM 0 HB ILE A 22 8.963 0.300 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.149 0.363 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.958 -0.198 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.266 -0.132 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.038 1.460 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.770 1.345 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.132 -2.076 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.297 -2.002 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.476 -1.433 0.871 1.00 0.00 H new ATOM 340 N LEU A 23 7.921 3.594 3.442 1.00 0.00 N ATOM 341 CA LEU A 23 7.142 4.352 4.407 1.00 0.00 C ATOM 342 C LEU A 23 6.051 3.493 5.048 1.00 0.00 C ATOM 343 O LEU A 23 5.216 2.916 4.354 1.00 0.00 O ATOM 344 CB LEU A 23 6.507 5.555 3.710 1.00 0.00 C ATOM 345 CG LEU A 23 5.761 6.529 4.619 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.733 7.219 5.561 1.00 0.00 C ATOM 347 CD2 LEU A 23 4.996 7.550 3.784 1.00 0.00 C ATOM 0 H LEU A 23 7.581 3.670 2.484 1.00 0.00 H new ATOM 0 HA LEU A 23 7.812 4.687 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.290 6.103 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.813 5.189 2.953 1.00 0.00 H new ATOM 0 HG LEU A 23 5.042 5.971 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.188 7.911 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.236 6.472 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.473 7.770 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.469 8.238 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.695 8.108 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.276 7.034 3.148 1.00 0.00 H new ATOM 359 N LEU A 24 6.080 3.414 6.370 1.00 0.00 N ATOM 360 CA LEU A 24 5.029 2.741 7.129 1.00 0.00 C ATOM 361 C LEU A 24 4.320 3.737 8.034 1.00 0.00 C ATOM 362 O LEU A 24 4.900 4.759 8.414 1.00 0.00 O ATOM 363 CB LEU A 24 5.589 1.590 7.972 1.00 0.00 C ATOM 364 CG LEU A 24 6.154 0.403 7.193 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.575 -0.702 8.149 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.147 -0.116 6.174 1.00 0.00 C ATOM 0 H LEU A 24 6.824 3.809 6.945 1.00 0.00 H new ATOM 0 HA LEU A 24 4.321 2.324 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.376 1.986 8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.797 1.226 8.626 1.00 0.00 H new ATOM 0 HG LEU A 24 7.033 0.742 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.976 -1.542 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.340 -0.324 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.711 -1.033 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.577 -0.960 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.241 -0.437 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.901 0.678 5.468 1.00 0.00 H new ATOM 378 N ALA A 25 3.076 3.440 8.379 1.00 0.00 N ATOM 379 CA ALA A 25 2.289 4.328 9.220 1.00 0.00 C ATOM 380 C ALA A 25 1.630 3.572 10.373 1.00 0.00 C ATOM 381 O ALA A 25 0.910 2.608 10.163 1.00 0.00 O ATOM 382 CB ALA A 25 1.246 5.041 8.381 1.00 0.00 C ATOM 0 H ALA A 25 2.590 2.591 8.089 1.00 0.00 H new ATOM 0 HA ALA A 25 2.961 5.066 9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.660 5.705 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.741 5.625 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.587 4.306 7.918 1.00 0.00 H new ATOM 388 N GLN A 26 1.907 4.005 11.593 1.00 0.00 N ATOM 389 CA GLN A 26 1.318 3.390 12.781 1.00 0.00 C ATOM 390 C GLN A 26 -0.014 4.047 13.118 1.00 0.00 C ATOM 391 O GLN A 26 -0.034 5.156 13.664 1.00 0.00 O ATOM 392 CB GLN A 26 2.285 3.518 13.966 1.00 0.00 C ATOM 393 CG GLN A 26 2.003 2.584 15.143 1.00 0.00 C ATOM 394 CD GLN A 26 0.741 2.928 15.918 1.00 0.00 C ATOM 395 OE1 GLN A 26 -0.338 2.390 15.659 1.00 0.00 O ATOM 396 NE2 GLN A 26 0.861 3.837 16.872 1.00 0.00 N ATOM 0 H GLN A 26 2.537 4.782 11.791 1.00 0.00 H new ATOM 0 HA GLN A 26 1.139 2.334 12.577 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.298 3.330 13.609 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.259 4.547 14.325 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.922 1.563 14.771 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.853 2.608 15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.769 4.262 17.060 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.046 4.112 17.419 1.00 0.00 H new ATOM 520 N GLY A 35 0.020 0.047 17.427 1.00 0.00 N ATOM 521 CA GLY A 35 1.374 -0.463 17.341 1.00 0.00 C ATOM 522 C GLY A 35 1.707 -1.008 15.976 1.00 0.00 C ATOM 523 O GLY A 35 2.871 -1.064 15.588 1.00 0.00 O ATOM 0 HA2 GLY A 35 2.074 0.334 17.590 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.509 -1.249 18.084 1.00 0.00 H new ATOM 527 N LEU A 36 0.684 -1.424 15.255 1.00 0.00 N ATOM 528 CA LEU A 36 0.853 -2.004 13.934 1.00 0.00 C ATOM 529 C LEU A 36 1.102 -0.929 12.883 1.00 0.00 C ATOM 530 O LEU A 36 0.658 0.211 13.029 1.00 0.00 O ATOM 531 CB LEU A 36 -0.396 -2.817 13.570 1.00 0.00 C ATOM 532 CG LEU A 36 -0.556 -4.176 14.278 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.444 -4.057 15.793 1.00 0.00 C ATOM 534 CD2 LEU A 36 -1.893 -4.779 13.917 1.00 0.00 C ATOM 0 H LEU A 36 -0.286 -1.370 15.566 1.00 0.00 H new ATOM 0 HA LEU A 36 1.725 -2.657 13.954 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.275 -2.211 13.790 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.390 -2.990 12.494 1.00 0.00 H new ATOM 0 HG LEU A 36 0.256 -4.819 13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.564 -5.042 16.245 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.534 -3.654 16.055 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.222 -3.390 16.164 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.006 -5.740 14.418 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.692 -4.109 14.234 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.947 -4.924 12.838 1.00 0.00 H new ATOM 546 N TRP A 37 1.824 -1.305 11.835 1.00 0.00 N ATOM 547 CA TRP A 37 2.106 -0.405 10.724 1.00 0.00 C ATOM 548 C TRP A 37 1.588 -1.035 9.440 1.00 0.00 C ATOM 549 O TRP A 37 1.391 -2.251 9.384 1.00 0.00 O ATOM 550 CB TRP A 37 3.615 -0.139 10.581 1.00 0.00 C ATOM 551 CG TRP A 37 4.317 0.227 11.860 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.601 -0.602 12.907 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.849 1.511 12.212 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.261 0.090 13.893 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.428 1.387 13.490 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.889 2.754 11.574 1.00 0.00 C ATOM 557 CZ2 TRP A 37 6.037 2.459 14.140 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.495 3.816 12.220 1.00 0.00 C ATOM 559 CH2 TRP A 37 6.064 3.663 13.490 1.00 0.00 C ATOM 0 H TRP A 37 2.228 -2.236 11.731 1.00 0.00 H new ATOM 0 HA TRP A 37 1.611 0.547 10.918 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.088 -1.029 10.165 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.761 0.666 9.860 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.344 -1.650 12.953 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.576 -0.300 14.782 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.454 2.883 10.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.472 2.344 15.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.530 4.781 11.736 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.533 4.511 13.966 1.00 0.00 H new ATOM 570 N GLU A 38 1.365 -0.226 8.417 1.00 0.00 N ATOM 571 CA GLU A 38 0.899 -0.741 7.138 1.00 0.00 C ATOM 572 C GLU A 38 1.352 0.172 6.001 1.00 0.00 C ATOM 573 O GLU A 38 2.069 1.153 6.230 1.00 0.00 O ATOM 574 CB GLU A 38 -0.634 -0.885 7.139 1.00 0.00 C ATOM 575 CG GLU A 38 -1.406 0.418 6.944 1.00 0.00 C ATOM 576 CD GLU A 38 -1.093 1.473 7.985 1.00 0.00 C ATOM 577 OE1 GLU A 38 -1.664 1.415 9.091 1.00 0.00 O ATOM 578 OE2 GLU A 38 -0.296 2.386 7.683 1.00 0.00 O ATOM 0 H GLU A 38 1.498 0.785 8.446 1.00 0.00 H new ATOM 0 HA GLU A 38 1.335 -1.728 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.919 -1.580 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.941 -1.333 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.182 0.818 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.475 0.204 6.967 1.00 0.00 H new ATOM 585 N PHE A 39 0.958 -0.165 4.782 1.00 0.00 N ATOM 586 CA PHE A 39 1.244 0.674 3.632 1.00 0.00 C ATOM 587 C PHE A 39 0.100 1.657 3.414 1.00 0.00 C ATOM 588 O PHE A 39 -1.065 1.263 3.345 1.00 0.00 O ATOM 589 CB PHE A 39 1.462 -0.174 2.371 1.00 0.00 C ATOM 590 CG PHE A 39 2.647 -1.074 2.443 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.903 -0.602 2.127 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.502 -2.391 2.820 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.998 -1.431 2.185 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.589 -3.228 2.880 1.00 0.00 C ATOM 595 CZ PHE A 39 4.843 -2.749 2.564 1.00 0.00 C ATOM 0 H PHE A 39 0.438 -1.016 4.565 1.00 0.00 H new ATOM 0 HA PHE A 39 2.162 1.227 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.571 -0.777 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.575 0.490 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.028 0.429 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.522 -2.770 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.978 -1.052 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.462 -4.259 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.701 -3.403 2.613 1.00 0.00 H new ATOM 605 N ALA A 40 0.437 2.937 3.313 1.00 0.00 N ATOM 606 CA ALA A 40 -0.566 3.978 3.127 1.00 0.00 C ATOM 607 C ALA A 40 -1.282 3.811 1.790 1.00 0.00 C ATOM 608 O ALA A 40 -0.740 3.221 0.857 1.00 0.00 O ATOM 609 CB ALA A 40 0.070 5.357 3.221 1.00 0.00 C ATOM 0 H ALA A 40 1.397 3.279 3.357 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.304 3.882 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.695 6.121 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.529 5.480 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.832 5.459 2.449 1.00 0.00 H new ATOM 615 N GLY A 41 -2.491 4.338 1.699 1.00 0.00 N ATOM 616 CA GLY A 41 -3.282 4.182 0.497 1.00 0.00 C ATOM 617 C GLY A 41 -4.756 4.308 0.796 1.00 0.00 C ATOM 618 O GLY A 41 -5.170 5.247 1.472 1.00 0.00 O ATOM 0 H GLY A 41 -2.942 4.874 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.990 4.936 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.081 3.209 0.049 1.00 0.00 H new ATOM 622 N GLY A 42 -5.549 3.361 0.319 1.00 0.00 N ATOM 623 CA GLY A 42 -6.963 3.391 0.615 1.00 0.00 C ATOM 624 C GLY A 42 -7.804 2.612 -0.373 1.00 0.00 C ATOM 625 O GLY A 42 -7.289 2.038 -1.333 1.00 0.00 O ATOM 0 H GLY A 42 -5.242 2.581 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.125 2.988 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.301 4.427 0.630 1.00 0.00 H new ATOM 629 N LYS A 43 -9.103 2.591 -0.120 1.00 0.00 N ATOM 630 CA LYS A 43 -10.052 1.915 -0.991 1.00 0.00 C ATOM 631 C LYS A 43 -10.370 2.791 -2.202 1.00 0.00 C ATOM 632 O LYS A 43 -10.306 4.017 -2.125 1.00 0.00 O ATOM 633 CB LYS A 43 -11.323 1.576 -0.196 1.00 0.00 C ATOM 634 CG LYS A 43 -12.537 1.224 -1.042 1.00 0.00 C ATOM 635 CD LYS A 43 -13.684 0.724 -0.178 1.00 0.00 C ATOM 636 CE LYS A 43 -14.974 0.598 -0.974 1.00 0.00 C ATOM 637 NZ LYS A 43 -15.574 1.925 -1.281 1.00 0.00 N ATOM 0 H LYS A 43 -9.528 3.040 0.691 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.617 0.986 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.106 0.738 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.575 2.427 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.858 2.101 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.267 0.459 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.423 -0.245 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.837 1.409 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.775 0.067 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.690 -0.002 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.508 1.791 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.679 2.470 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.955 2.442 -1.937 1.00 0.00 H new ATOM 651 N VAL A 44 -10.714 2.156 -3.311 1.00 0.00 N ATOM 652 CA VAL A 44 -10.990 2.867 -4.545 1.00 0.00 C ATOM 653 C VAL A 44 -12.493 3.024 -4.723 1.00 0.00 C ATOM 654 O VAL A 44 -13.241 2.050 -4.613 1.00 0.00 O ATOM 655 CB VAL A 44 -10.408 2.122 -5.769 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.655 2.901 -7.051 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.923 1.859 -5.582 1.00 0.00 C ATOM 0 H VAL A 44 -10.809 1.143 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.515 3.846 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.920 1.163 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.235 2.354 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.727 3.029 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.179 3.879 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.534 1.334 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.398 2.807 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.771 1.247 -4.693 1.00 0.00 H new ATOM 667 N GLU A 45 -12.932 4.244 -4.967 1.00 0.00 N ATOM 668 CA GLU A 45 -14.331 4.498 -5.247 1.00 0.00 C ATOM 669 C GLU A 45 -14.506 4.649 -6.754 1.00 0.00 C ATOM 670 O GLU A 45 -13.616 5.168 -7.420 1.00 0.00 O ATOM 671 CB GLU A 45 -14.789 5.766 -4.523 1.00 0.00 C ATOM 672 CG GLU A 45 -16.239 5.719 -4.075 1.00 0.00 C ATOM 673 CD GLU A 45 -16.505 4.583 -3.108 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.119 4.700 -1.928 1.00 0.00 O ATOM 675 OE2 GLU A 45 -17.091 3.561 -3.521 1.00 0.00 O ATOM 0 H GLU A 45 -12.340 5.074 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.940 3.667 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.153 5.927 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.649 6.622 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.502 6.665 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.883 5.609 -4.947 1.00 0.00 H new ATOM 682 N PRO A 46 -15.639 4.197 -7.321 1.00 0.00 N ATOM 683 CA PRO A 46 -15.897 4.270 -8.770 1.00 0.00 C ATOM 684 C PRO A 46 -15.714 5.679 -9.345 1.00 0.00 C ATOM 685 O PRO A 46 -15.519 5.849 -10.551 1.00 0.00 O ATOM 686 CB PRO A 46 -17.363 3.823 -8.906 1.00 0.00 C ATOM 687 CG PRO A 46 -17.916 3.835 -7.520 1.00 0.00 C ATOM 688 CD PRO A 46 -16.755 3.559 -6.613 1.00 0.00 C ATOM 0 HA PRO A 46 -15.193 3.651 -9.326 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.920 4.498 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.430 2.828 -9.346 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.372 4.798 -7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.692 3.079 -7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.904 3.987 -5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.591 2.490 -6.477 1.00 0.00 H new ATOM 696 N ASP A 47 -15.773 6.681 -8.477 1.00 0.00 N ATOM 697 CA ASP A 47 -15.607 8.071 -8.892 1.00 0.00 C ATOM 698 C ASP A 47 -14.164 8.384 -9.249 1.00 0.00 C ATOM 699 O ASP A 47 -13.886 9.352 -9.959 1.00 0.00 O ATOM 700 CB ASP A 47 -16.064 9.034 -7.793 1.00 0.00 C ATOM 701 CG ASP A 47 -17.532 8.898 -7.466 1.00 0.00 C ATOM 702 OD1 ASP A 47 -18.369 9.315 -8.292 1.00 0.00 O ATOM 703 OD2 ASP A 47 -17.853 8.374 -6.381 1.00 0.00 O ATOM 0 H ASP A 47 -15.935 6.558 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.228 8.206 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.478 8.853 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.860 10.058 -8.106 1.00 0.00 H new ATOM 708 N GLU A 48 -13.249 7.573 -8.759 1.00 0.00 N ATOM 709 CA GLU A 48 -11.830 7.828 -8.939 1.00 0.00 C ATOM 710 C GLU A 48 -11.129 6.612 -9.533 1.00 0.00 C ATOM 711 O GLU A 48 -11.573 5.476 -9.364 1.00 0.00 O ATOM 712 CB GLU A 48 -11.202 8.206 -7.594 1.00 0.00 C ATOM 713 CG GLU A 48 -11.328 7.126 -6.531 1.00 0.00 C ATOM 714 CD GLU A 48 -11.074 7.653 -5.137 1.00 0.00 C ATOM 715 OE1 GLU A 48 -9.968 8.157 -4.880 1.00 0.00 O ATOM 716 OE2 GLU A 48 -11.996 7.584 -4.296 1.00 0.00 O ATOM 0 H GLU A 48 -13.462 6.727 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.708 8.656 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.146 8.430 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.672 9.119 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.327 6.692 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.622 6.324 -6.747 1.00 0.00 H new ATOM 723 N SER A 49 -10.048 6.857 -10.254 1.00 0.00 N ATOM 724 CA SER A 49 -9.278 5.779 -10.846 1.00 0.00 C ATOM 725 C SER A 49 -8.288 5.201 -9.830 1.00 0.00 C ATOM 726 O SER A 49 -8.078 5.778 -8.763 1.00 0.00 O ATOM 727 CB SER A 49 -8.551 6.279 -12.095 1.00 0.00 C ATOM 728 OG SER A 49 -7.942 5.212 -12.802 1.00 0.00 O ATOM 0 H SER A 49 -9.685 7.791 -10.443 1.00 0.00 H new ATOM 0 HA SER A 49 -9.959 4.980 -11.139 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.257 6.793 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.792 7.008 -11.809 1.00 0.00 H new ATOM 0 HG SER A 49 -7.487 5.563 -13.596 1.00 0.00 H new ATOM 734 N GLN A 50 -7.680 4.068 -10.174 1.00 0.00 N ATOM 735 CA GLN A 50 -6.789 3.345 -9.265 1.00 0.00 C ATOM 736 C GLN A 50 -5.605 4.202 -8.817 1.00 0.00 C ATOM 737 O GLN A 50 -5.345 4.331 -7.621 1.00 0.00 O ATOM 738 CB GLN A 50 -6.286 2.063 -9.931 1.00 0.00 C ATOM 739 CG GLN A 50 -7.368 1.014 -10.133 1.00 0.00 C ATOM 740 CD GLN A 50 -6.910 -0.136 -11.008 1.00 0.00 C ATOM 741 OE1 GLN A 50 -6.054 0.033 -11.880 1.00 0.00 O ATOM 742 NE2 GLN A 50 -7.485 -1.309 -10.797 1.00 0.00 N ATOM 0 H GLN A 50 -7.789 3.625 -11.086 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.366 3.093 -8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.850 2.313 -10.898 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.488 1.637 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.678 0.626 -9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.243 1.482 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.189 -1.408 -10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.224 -2.115 -11.366 1.00 0.00 H new ATOM 751 N ARG A 51 -4.892 4.794 -9.766 1.00 0.00 N ATOM 752 CA ARG A 51 -3.741 5.626 -9.427 1.00 0.00 C ATOM 753 C ARG A 51 -4.216 6.939 -8.829 1.00 0.00 C ATOM 754 O ARG A 51 -3.555 7.520 -7.971 1.00 0.00 O ATOM 755 CB ARG A 51 -2.875 5.915 -10.653 1.00 0.00 C ATOM 756 CG ARG A 51 -2.497 4.683 -11.457 1.00 0.00 C ATOM 757 CD ARG A 51 -1.599 5.050 -12.628 1.00 0.00 C ATOM 758 NE ARG A 51 -1.422 3.937 -13.556 1.00 0.00 N ATOM 759 CZ ARG A 51 -0.334 3.755 -14.305 1.00 0.00 C ATOM 760 NH1 ARG A 51 0.712 4.571 -14.177 1.00 0.00 N ATOM 761 NH2 ARG A 51 -0.287 2.752 -15.173 1.00 0.00 N ATOM 0 H ARG A 51 -5.085 4.717 -10.765 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.137 5.079 -8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.407 6.609 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.963 6.417 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.986 3.967 -10.813 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.399 4.194 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.027 5.900 -13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.626 5.366 -12.252 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.177 3.256 -13.636 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.682 5.337 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.543 4.429 -14.751 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.083 2.121 -15.267 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.545 2.612 -15.746 1.00 0.00 H new ATOM 775 N GLN A 52 -5.384 7.381 -9.272 1.00 0.00 N ATOM 776 CA GLN A 52 -5.963 8.631 -8.806 1.00 0.00 C ATOM 777 C GLN A 52 -6.285 8.527 -7.321 1.00 0.00 C ATOM 778 O GLN A 52 -6.071 9.472 -6.556 1.00 0.00 O ATOM 779 CB GLN A 52 -7.227 8.953 -9.611 1.00 0.00 C ATOM 780 CG GLN A 52 -8.002 10.155 -9.100 1.00 0.00 C ATOM 781 CD GLN A 52 -9.223 10.464 -9.947 1.00 0.00 C ATOM 782 OE1 GLN A 52 -9.244 10.195 -11.148 1.00 0.00 O ATOM 783 NE2 GLN A 52 -10.250 11.029 -9.330 1.00 0.00 N ATOM 0 H GLN A 52 -5.953 6.887 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.245 9.438 -8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.947 9.130 -10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.882 8.082 -9.601 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.314 9.971 -8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.346 11.025 -9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.195 11.237 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.096 11.256 -9.852 1.00 0.00 H new ATOM 792 N ALA A 53 -6.770 7.356 -6.928 1.00 0.00 N ATOM 793 CA ALA A 53 -7.105 7.082 -5.542 1.00 0.00 C ATOM 794 C ALA A 53 -5.885 7.267 -4.653 1.00 0.00 C ATOM 795 O ALA A 53 -5.933 8.011 -3.678 1.00 0.00 O ATOM 796 CB ALA A 53 -7.662 5.675 -5.398 1.00 0.00 C ATOM 0 H ALA A 53 -6.941 6.574 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.871 7.789 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.908 5.486 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.561 5.576 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.917 4.953 -5.732 1.00 0.00 H new ATOM 802 N LEU A 54 -4.777 6.622 -5.015 1.00 0.00 N ATOM 803 CA LEU A 54 -3.551 6.721 -4.232 1.00 0.00 C ATOM 804 C LEU A 54 -3.072 8.159 -4.144 1.00 0.00 C ATOM 805 O LEU A 54 -2.758 8.650 -3.064 1.00 0.00 O ATOM 806 CB LEU A 54 -2.445 5.854 -4.837 1.00 0.00 C ATOM 807 CG LEU A 54 -2.552 4.366 -4.533 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.376 3.615 -5.136 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.620 4.148 -3.030 1.00 0.00 C ATOM 0 H LEU A 54 -4.705 6.029 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.778 6.362 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.449 5.989 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.482 6.215 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.466 3.977 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.468 2.553 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.370 3.756 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.446 3.997 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.696 3.081 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.719 4.546 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.494 4.660 -2.627 1.00 0.00 H new ATOM 821 N VAL A 55 -3.042 8.831 -5.283 1.00 0.00 N ATOM 822 CA VAL A 55 -2.556 10.199 -5.348 1.00 0.00 C ATOM 823 C VAL A 55 -3.374 11.111 -4.437 1.00 0.00 C ATOM 824 O VAL A 55 -2.814 11.888 -3.663 1.00 0.00 O ATOM 825 CB VAL A 55 -2.580 10.744 -6.794 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.184 12.215 -6.824 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.653 9.927 -7.681 1.00 0.00 C ATOM 0 H VAL A 55 -3.350 8.450 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.522 10.189 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.597 10.657 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.208 12.577 -7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.883 12.792 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.177 12.329 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.680 10.322 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.635 9.986 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.979 8.887 -7.687 1.00 0.00 H new ATOM 837 N ARG A 56 -4.693 10.992 -4.503 1.00 0.00 N ATOM 838 CA ARG A 56 -5.554 11.860 -3.716 1.00 0.00 C ATOM 839 C ARG A 56 -5.541 11.461 -2.239 1.00 0.00 C ATOM 840 O ARG A 56 -5.535 12.328 -1.370 1.00 0.00 O ATOM 841 CB ARG A 56 -6.985 11.902 -4.293 1.00 0.00 C ATOM 842 CG ARG A 56 -7.826 10.642 -4.101 1.00 0.00 C ATOM 843 CD ARG A 56 -8.617 10.679 -2.800 1.00 0.00 C ATOM 844 NE ARG A 56 -9.664 9.665 -2.771 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.533 9.516 -1.777 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.447 10.275 -0.690 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.488 8.602 -1.867 1.00 0.00 N ATOM 0 H ARG A 56 -5.184 10.313 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.156 12.873 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.514 12.740 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.918 12.110 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.513 10.533 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.176 9.767 -4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.940 10.526 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.063 11.665 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.734 9.029 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.711 10.977 -0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.117 10.156 0.070 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.555 8.015 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.156 8.486 -1.105 1.00 0.00 H new ATOM 861 N GLU A 57 -5.536 10.158 -1.957 1.00 0.00 N ATOM 862 CA GLU A 57 -5.470 9.672 -0.577 1.00 0.00 C ATOM 863 C GLU A 57 -4.188 10.131 0.110 1.00 0.00 C ATOM 864 O GLU A 57 -4.224 10.630 1.234 1.00 0.00 O ATOM 865 CB GLU A 57 -5.578 8.144 -0.527 1.00 0.00 C ATOM 866 CG GLU A 57 -6.980 7.614 -0.813 1.00 0.00 C ATOM 867 CD GLU A 57 -7.974 7.936 0.288 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.104 9.121 0.653 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.651 7.006 0.781 1.00 0.00 O ATOM 0 H GLU A 57 -5.577 9.422 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.318 10.098 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.884 7.717 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.264 7.799 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.337 8.037 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.933 6.533 -0.947 1.00 0.00 H new ATOM 876 N LEU A 58 -3.055 9.984 -0.571 1.00 0.00 N ATOM 877 CA LEU A 58 -1.782 10.401 0.006 1.00 0.00 C ATOM 878 C LEU A 58 -1.752 11.913 0.167 1.00 0.00 C ATOM 879 O LEU A 58 -1.130 12.432 1.078 1.00 0.00 O ATOM 880 CB LEU A 58 -0.595 9.959 -0.850 1.00 0.00 C ATOM 881 CG LEU A 58 -0.557 8.474 -1.212 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.742 8.134 -1.917 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.744 7.604 0.021 1.00 0.00 C ATOM 0 H LEU A 58 -2.992 9.586 -1.508 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.694 9.920 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.600 10.539 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.324 10.209 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.384 8.270 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.753 7.073 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.826 8.724 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.582 8.360 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.713 6.553 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.054 7.809 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.707 7.826 0.480 1.00 0.00 H new ATOM 895 N ARG A 59 -2.407 12.613 -0.742 1.00 0.00 N ATOM 896 CA ARG A 59 -2.553 14.058 -0.640 1.00 0.00 C ATOM 897 C ARG A 59 -3.297 14.449 0.638 1.00 0.00 C ATOM 898 O ARG A 59 -2.997 15.472 1.252 1.00 0.00 O ATOM 899 CB ARG A 59 -3.281 14.581 -1.880 1.00 0.00 C ATOM 900 CG ARG A 59 -3.699 16.038 -1.808 1.00 0.00 C ATOM 901 CD ARG A 59 -4.177 16.522 -3.166 1.00 0.00 C ATOM 902 NE ARG A 59 -4.889 17.793 -3.093 1.00 0.00 N ATOM 903 CZ ARG A 59 -4.737 18.782 -3.971 1.00 0.00 C ATOM 904 NH1 ARG A 59 -3.800 18.714 -4.912 1.00 0.00 N ATOM 905 NH2 ARG A 59 -5.502 19.861 -3.891 1.00 0.00 N ATOM 0 H ARG A 59 -2.849 12.203 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.563 14.512 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.634 14.446 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.169 13.971 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.494 16.158 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.859 16.647 -1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.320 16.628 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.831 15.769 -3.606 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.543 17.932 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.190 17.899 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.692 19.477 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.207 19.933 -3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.386 20.619 -4.563 1.00 0.00 H new ATOM 919 N GLU A 60 -4.250 13.624 1.048 1.00 0.00 N ATOM 920 CA GLU A 60 -5.051 13.920 2.229 1.00 0.00 C ATOM 921 C GLU A 60 -4.385 13.412 3.509 1.00 0.00 C ATOM 922 O GLU A 60 -4.455 14.062 4.552 1.00 0.00 O ATOM 923 CB GLU A 60 -6.456 13.327 2.081 1.00 0.00 C ATOM 924 CG GLU A 60 -7.150 13.764 0.799 1.00 0.00 C ATOM 925 CD GLU A 60 -8.635 13.464 0.780 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.366 14.018 1.625 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.081 12.689 -0.094 1.00 0.00 O ATOM 0 H GLU A 60 -4.487 12.748 0.583 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.131 15.004 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.390 12.239 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.063 13.624 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.003 14.835 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.677 13.267 -0.048 1.00 0.00 H new ATOM 934 N GLU A 61 -3.737 12.258 3.435 1.00 0.00 N ATOM 935 CA GLU A 61 -3.069 11.700 4.606 1.00 0.00 C ATOM 936 C GLU A 61 -1.632 12.184 4.719 1.00 0.00 C ATOM 937 O GLU A 61 -1.226 12.709 5.755 1.00 0.00 O ATOM 938 CB GLU A 61 -3.058 10.175 4.569 1.00 0.00 C ATOM 939 CG GLU A 61 -4.383 9.529 4.885 1.00 0.00 C ATOM 940 CD GLU A 61 -4.240 8.568 6.040 1.00 0.00 C ATOM 941 OE1 GLU A 61 -3.592 8.949 7.047 1.00 0.00 O ATOM 942 OE2 GLU A 61 -4.738 7.431 5.941 1.00 0.00 O ATOM 0 H GLU A 61 -3.659 11.694 2.588 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.637 12.043 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.738 9.851 3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.314 9.813 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.118 10.295 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.755 9.000 4.008 1.00 0.00 H new ATOM 949 N LEU A 62 -0.876 12.023 3.644 1.00 0.00 N ATOM 950 CA LEU A 62 0.555 12.272 3.674 1.00 0.00 C ATOM 951 C LEU A 62 0.881 13.661 3.143 1.00 0.00 C ATOM 952 O LEU A 62 2.048 14.029 3.063 1.00 0.00 O ATOM 953 CB LEU A 62 1.296 11.219 2.840 1.00 0.00 C ATOM 954 CG LEU A 62 0.942 9.758 3.139 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.741 8.831 2.238 1.00 0.00 C ATOM 956 CD2 LEU A 62 1.195 9.426 4.602 1.00 0.00 C ATOM 0 H LEU A 62 -1.232 11.720 2.738 1.00 0.00 H new ATOM 0 HA LEU A 62 0.882 12.210 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.097 11.412 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.367 11.351 2.992 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.120 9.614 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.481 7.796 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.509 9.048 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.806 8.983 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.936 8.384 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.248 9.586 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.583 10.071 5.233 1.00 0.00 H new ATOM 968 N GLY A 63 -0.155 14.438 2.828 1.00 0.00 N ATOM 969 CA GLY A 63 0.022 15.748 2.218 1.00 0.00 C ATOM 970 C GLY A 63 1.030 15.786 1.077 1.00 0.00 C ATOM 971 O GLY A 63 1.766 16.765 0.941 1.00 0.00 O ATOM 0 H GLY A 63 -1.128 14.178 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.942 16.094 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.337 16.453 2.987 1.00 0.00 H new ATOM 975 N ILE A 64 1.077 14.742 0.255 1.00 0.00 N ATOM 976 CA ILE A 64 2.007 14.723 -0.869 1.00 0.00 C ATOM 977 C ILE A 64 1.312 14.359 -2.170 1.00 0.00 C ATOM 978 O ILE A 64 0.389 13.542 -2.199 1.00 0.00 O ATOM 979 CB ILE A 64 3.192 13.749 -0.659 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.697 12.313 -0.447 1.00 0.00 C ATOM 981 CG2 ILE A 64 4.063 14.198 0.499 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.818 11.298 -0.308 1.00 0.00 C ATOM 0 H ILE A 64 0.492 13.911 0.343 1.00 0.00 H new ATOM 0 HA ILE A 64 2.398 15.739 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 64 3.799 13.762 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.075 12.280 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.063 12.029 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.888 13.498 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.459 15.192 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.468 14.227 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.393 10.305 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.427 11.302 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.440 11.558 0.549 1.00 0.00 H new ATOM 994 N GLU A 65 1.773 14.980 -3.243 1.00 0.00 N ATOM 995 CA GLU A 65 1.298 14.675 -4.578 1.00 0.00 C ATOM 996 C GLU A 65 2.153 13.562 -5.161 1.00 0.00 C ATOM 997 O GLU A 65 3.229 13.811 -5.712 1.00 0.00 O ATOM 998 CB GLU A 65 1.380 15.918 -5.464 1.00 0.00 C ATOM 999 CG GLU A 65 0.837 17.172 -4.799 1.00 0.00 C ATOM 1000 CD GLU A 65 -0.650 17.098 -4.520 1.00 0.00 C ATOM 1001 OE1 GLU A 65 -1.447 17.363 -5.447 1.00 0.00 O ATOM 1002 OE2 GLU A 65 -1.026 16.799 -3.373 1.00 0.00 O ATOM 0 H GLU A 65 2.486 15.709 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 65 0.257 14.354 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.420 16.086 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.826 15.736 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.369 17.339 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.039 18.032 -5.438 1.00 0.00 H new ATOM 1009 N ALA A 66 1.698 12.336 -4.994 1.00 0.00 N ATOM 1010 CA ALA A 66 2.472 11.175 -5.402 1.00 0.00 C ATOM 1011 C ALA A 66 2.280 10.869 -6.878 1.00 0.00 C ATOM 1012 O ALA A 66 1.282 11.255 -7.482 1.00 0.00 O ATOM 1013 CB ALA A 66 2.090 9.967 -4.561 1.00 0.00 C ATOM 0 H ALA A 66 0.793 12.115 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 66 3.526 11.403 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.677 9.104 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.290 10.177 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.029 9.753 -4.693 1.00 0.00 H new ATOM 1019 N THR A 67 3.244 10.175 -7.454 1.00 0.00 N ATOM 1020 CA THR A 67 3.157 9.755 -8.834 1.00 0.00 C ATOM 1021 C THR A 67 3.206 8.233 -8.926 1.00 0.00 C ATOM 1022 O THR A 67 4.259 7.624 -8.756 1.00 0.00 O ATOM 1023 CB THR A 67 4.293 10.377 -9.671 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.282 11.802 -9.504 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.136 10.038 -11.147 1.00 0.00 C ATOM 0 H THR A 67 4.101 9.890 -6.980 1.00 0.00 H new ATOM 0 HA THR A 67 2.206 10.103 -9.238 1.00 0.00 H new ATOM 0 HB THR A 67 5.241 9.966 -9.324 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.004 12.199 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.951 10.490 -11.713 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.161 8.956 -11.276 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.184 10.425 -11.510 1.00 0.00 H new ATOM 1033 N VAL A 68 2.051 7.628 -9.161 1.00 0.00 N ATOM 1034 CA VAL A 68 1.962 6.181 -9.300 1.00 0.00 C ATOM 1035 C VAL A 68 2.488 5.765 -10.667 1.00 0.00 C ATOM 1036 O VAL A 68 1.922 6.149 -11.694 1.00 0.00 O ATOM 1037 CB VAL A 68 0.512 5.685 -9.134 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.452 4.166 -9.207 1.00 0.00 C ATOM 1039 CG2 VAL A 68 -0.078 6.182 -7.823 1.00 0.00 C ATOM 0 H VAL A 68 1.161 8.117 -9.260 1.00 0.00 H new ATOM 0 HA VAL A 68 2.567 5.730 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.083 6.090 -9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.580 3.836 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.830 3.833 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.063 3.739 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.102 5.821 -7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.519 5.810 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.075 7.272 -7.813 1.00 0.00 H new ATOM 1049 N GLY A 69 3.563 4.983 -10.690 1.00 0.00 N ATOM 1050 CA GLY A 69 4.206 4.679 -11.951 1.00 0.00 C ATOM 1051 C GLY A 69 5.135 3.482 -11.896 1.00 0.00 C ATOM 1052 O GLY A 69 6.330 3.638 -12.143 1.00 0.00 O ATOM 0 H GLY A 69 3.994 4.560 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.439 4.497 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.772 5.551 -12.278 1.00 0.00 H new ATOM 1056 N GLU A 70 4.576 2.296 -11.600 1.00 0.00 N ATOM 1057 CA GLU A 70 5.297 1.008 -11.630 1.00 0.00 C ATOM 1058 C GLU A 70 4.563 -0.009 -10.758 1.00 0.00 C ATOM 1059 O GLU A 70 3.944 0.348 -9.755 1.00 0.00 O ATOM 1060 CB GLU A 70 6.761 1.096 -11.189 1.00 0.00 C ATOM 1061 CG GLU A 70 6.967 1.457 -9.737 1.00 0.00 C ATOM 1062 CD GLU A 70 8.426 1.418 -9.362 1.00 0.00 C ATOM 1063 OE1 GLU A 70 8.932 0.320 -9.059 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.070 2.490 -9.359 1.00 0.00 O ATOM 0 H GLU A 70 3.597 2.202 -11.329 1.00 0.00 H new ATOM 0 HA GLU A 70 5.312 0.694 -12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.242 0.137 -11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.268 1.836 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.568 2.454 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.409 0.765 -9.106 1.00 0.00 H new ATOM 1071 N TYR A 71 4.640 -1.269 -11.154 1.00 0.00 N ATOM 1072 CA TYR A 71 3.880 -2.327 -10.497 1.00 0.00 C ATOM 1073 C TYR A 71 4.774 -3.173 -9.597 1.00 0.00 C ATOM 1074 O TYR A 71 5.826 -3.646 -10.029 1.00 0.00 O ATOM 1075 CB TYR A 71 3.208 -3.217 -11.543 1.00 0.00 C ATOM 1076 CG TYR A 71 1.790 -3.601 -11.186 1.00 0.00 C ATOM 1077 CD1 TYR A 71 1.486 -4.166 -9.952 1.00 0.00 C ATOM 1078 CD2 TYR A 71 0.750 -3.389 -12.084 1.00 0.00 C ATOM 1079 CE1 TYR A 71 0.188 -4.508 -9.626 1.00 0.00 C ATOM 1080 CE2 TYR A 71 -0.548 -3.730 -11.764 1.00 0.00 C ATOM 1081 CZ TYR A 71 -0.824 -4.286 -10.535 1.00 0.00 C ATOM 1082 OH TYR A 71 -2.118 -4.627 -10.217 1.00 0.00 O ATOM 0 H TYR A 71 5.222 -1.588 -11.929 1.00 0.00 H new ATOM 0 HA TYR A 71 3.118 -1.857 -9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.205 -2.699 -12.502 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.800 -4.123 -11.672 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.277 -4.340 -9.238 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.962 -2.950 -13.048 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.033 -4.947 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.344 -3.562 -12.474 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.479 -3.979 -9.577 1.00 0.00 H new ATOM 1092 N VAL A 72 4.377 -3.335 -8.338 1.00 0.00 N ATOM 1093 CA VAL A 72 5.069 -4.262 -7.452 1.00 0.00 C ATOM 1094 C VAL A 72 4.339 -5.599 -7.384 1.00 0.00 C ATOM 1095 O VAL A 72 4.815 -6.601 -7.919 1.00 0.00 O ATOM 1096 CB VAL A 72 5.197 -3.701 -6.024 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.871 -4.713 -5.104 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.957 -2.383 -6.034 1.00 0.00 C ATOM 0 H VAL A 72 3.590 -2.843 -7.914 1.00 0.00 H new ATOM 0 HA VAL A 72 6.066 -4.404 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 72 4.195 -3.512 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.951 -4.295 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.277 -5.626 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.867 -4.942 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.038 -2.002 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.955 -2.542 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.423 -1.660 -6.651 1.00 0.00 H new ATOM 1108 N ALA A 73 3.170 -5.607 -6.753 1.00 0.00 N ATOM 1109 CA ALA A 73 2.388 -6.832 -6.632 1.00 0.00 C ATOM 1110 C ALA A 73 0.949 -6.544 -6.236 1.00 0.00 C ATOM 1111 O ALA A 73 0.623 -5.440 -5.807 1.00 0.00 O ATOM 1112 CB ALA A 73 3.025 -7.766 -5.613 1.00 0.00 C ATOM 0 H ALA A 73 2.746 -4.786 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 73 2.379 -7.312 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.431 -8.676 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.036 -8.019 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.065 -7.272 -4.642 1.00 0.00 H new ATOM 1118 N SER A 74 0.096 -7.543 -6.395 1.00 0.00 N ATOM 1119 CA SER A 74 -1.285 -7.455 -5.951 1.00 0.00 C ATOM 1120 C SER A 74 -1.658 -8.694 -5.143 1.00 0.00 C ATOM 1121 O SER A 74 -1.190 -9.797 -5.427 1.00 0.00 O ATOM 1122 CB SER A 74 -2.228 -7.302 -7.146 1.00 0.00 C ATOM 1123 OG SER A 74 -2.030 -6.059 -7.801 1.00 0.00 O ATOM 0 H SER A 74 0.339 -8.432 -6.832 1.00 0.00 H new ATOM 0 HA SER A 74 -1.387 -6.575 -5.316 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.062 -8.117 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.262 -7.378 -6.809 1.00 0.00 H new ATOM 0 HG SER A 74 -2.235 -6.155 -8.754 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.497 -8.514 -4.133 1.00 0.00 N ATOM 1130 CA HIS A 75 -2.918 -9.624 -3.294 1.00 0.00 C ATOM 1131 C HIS A 75 -4.432 -9.618 -3.129 1.00 0.00 C ATOM 1132 O HIS A 75 -5.044 -8.557 -2.993 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.248 -9.554 -1.919 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.550 -10.746 -1.060 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -3.272 -10.673 0.108 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -2.242 -12.052 -1.228 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -3.395 -11.885 0.621 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -2.781 -12.743 -0.172 1.00 0.00 N ATOM 0 H HIS A 75 -2.898 -7.612 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.614 -10.550 -3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.169 -9.471 -2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.577 -8.650 -1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.675 -12.474 -2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.912 -12.132 1.537 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.718 -13.750 -0.025 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.028 -10.800 -3.144 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.458 -10.935 -2.924 1.00 0.00 C ATOM 1149 C GLN A 76 -6.750 -11.589 -1.587 1.00 0.00 C ATOM 1150 O GLN A 76 -5.988 -12.426 -1.107 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.112 -11.752 -4.035 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.308 -10.979 -5.320 1.00 0.00 C ATOM 1153 CD GLN A 76 -7.984 -11.807 -6.394 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.209 -11.798 -6.527 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -7.195 -12.544 -7.155 1.00 0.00 N ATOM 0 H GLN A 76 -4.541 -11.681 -3.307 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.876 -9.928 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.498 -12.629 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.080 -12.114 -3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.907 -10.091 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.340 -10.635 -5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.185 -12.523 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.596 -13.134 -7.885 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.848 -11.171 -0.994 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.379 -11.783 0.215 1.00 0.00 C ATOM 1166 C ARG A 77 -9.852 -11.427 0.291 1.00 0.00 C ATOM 1167 O ARG A 77 -10.325 -10.661 -0.540 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.635 -11.295 1.468 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.878 -9.835 1.811 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.156 -9.447 3.090 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.543 -8.118 3.566 1.00 0.00 N ATOM 1172 CZ ARG A 77 -7.935 -7.864 4.817 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -8.058 -8.855 5.691 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -8.225 -6.622 5.186 1.00 0.00 N ATOM 0 H ARG A 77 -8.406 -10.389 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.244 -12.864 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.934 -11.910 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.566 -11.449 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.536 -9.204 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.947 -9.658 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.371 -10.184 3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.080 -9.470 2.918 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.511 -7.342 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.853 -9.813 5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.358 -8.658 6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.149 -5.859 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.524 -6.431 6.142 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.589 -11.963 1.243 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.994 -11.615 1.332 1.00 0.00 C ATOM 1190 C GLU A 78 -12.325 -10.944 2.657 1.00 0.00 C ATOM 1191 O GLU A 78 -11.665 -11.166 3.674 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.902 -12.831 1.115 1.00 0.00 C ATOM 1193 CG GLU A 78 -13.002 -13.752 2.315 1.00 0.00 C ATOM 1194 CD GLU A 78 -14.118 -14.762 2.175 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -13.881 -15.837 1.587 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -15.239 -14.485 2.659 1.00 0.00 O ATOM 0 H GLU A 78 -10.253 -12.621 1.946 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.185 -10.903 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.901 -12.483 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.530 -13.401 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.056 -14.276 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.165 -13.157 3.214 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.339 -10.103 2.615 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.892 -9.487 3.798 1.00 0.00 C ATOM 1205 C VAL A 79 -15.398 -9.754 3.831 1.00 0.00 C ATOM 1206 O VAL A 79 -16.185 -9.061 3.184 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.596 -7.966 3.874 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.018 -7.249 2.599 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.268 -7.342 5.090 1.00 0.00 C ATOM 0 H VAL A 79 -13.804 -9.828 1.750 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.413 -9.929 4.671 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.517 -7.848 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.795 -6.186 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.473 -7.664 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.088 -7.384 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.046 -6.275 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.346 -7.486 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.894 -7.817 5.997 1.00 0.00 H new ATOM 1219 N SER A 80 -15.780 -10.808 4.545 1.00 0.00 N ATOM 1220 CA SER A 80 -17.179 -11.206 4.666 1.00 0.00 C ATOM 1221 C SER A 80 -17.847 -11.368 3.291 1.00 0.00 C ATOM 1222 O SER A 80 -18.737 -10.596 2.917 1.00 0.00 O ATOM 1223 CB SER A 80 -17.935 -10.189 5.527 1.00 0.00 C ATOM 1224 OG SER A 80 -17.276 -9.997 6.771 1.00 0.00 O ATOM 0 H SER A 80 -15.132 -11.409 5.054 1.00 0.00 H new ATOM 0 HA SER A 80 -17.215 -12.180 5.153 1.00 0.00 H new ATOM 0 HB2 SER A 80 -18.007 -9.239 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.954 -10.536 5.699 1.00 0.00 H new ATOM 0 HG SER A 80 -17.772 -9.343 7.307 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.398 -12.372 2.535 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.987 -12.665 1.235 1.00 0.00 C ATOM 1232 C GLY A 81 -17.704 -11.608 0.177 1.00 0.00 C ATOM 1233 O GLY A 81 -18.388 -11.545 -0.849 1.00 0.00 O ATOM 0 H GLY A 81 -16.632 -12.991 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.610 -13.626 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.066 -12.769 1.351 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.710 -10.769 0.422 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.316 -9.744 -0.538 1.00 0.00 C ATOM 1239 C ARG A 82 -14.822 -9.837 -0.794 1.00 0.00 C ATOM 1240 O ARG A 82 -14.039 -9.888 0.139 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.673 -8.351 -0.015 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.118 -8.226 0.425 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.422 -6.844 0.964 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.737 -6.798 1.602 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.266 -5.713 2.162 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.632 -4.546 2.102 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.443 -5.797 2.770 1.00 0.00 N ATOM 0 H ARG A 82 -16.158 -10.776 1.280 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.855 -9.908 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.023 -8.109 0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.473 -7.616 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.775 -8.440 -0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.331 -8.971 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.656 -6.556 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.384 -6.118 0.151 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.287 -7.657 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.733 -4.478 1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.044 -3.719 2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.936 -6.689 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.854 -4.969 3.201 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.426 -9.844 -2.049 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.032 -10.080 -2.399 1.00 0.00 C ATOM 1263 C ILE A 83 -12.295 -8.762 -2.553 1.00 0.00 C ATOM 1264 O ILE A 83 -12.605 -7.961 -3.432 1.00 0.00 O ATOM 1265 CB ILE A 83 -12.888 -10.928 -3.691 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.101 -12.419 -3.393 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.518 -10.723 -4.334 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.456 -12.762 -2.813 1.00 0.00 C ATOM 0 H ILE A 83 -15.044 -9.690 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.586 -10.649 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.655 -10.593 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.963 -12.983 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.329 -12.750 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.445 -11.329 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.391 -9.672 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.739 -11.022 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -14.515 -13.836 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -14.594 -12.231 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.237 -12.467 -3.514 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.339 -8.538 -1.672 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.524 -7.344 -1.717 1.00 0.00 C ATOM 1282 C ILE A 84 -9.303 -7.569 -2.595 1.00 0.00 C ATOM 1283 O ILE A 84 -8.592 -8.568 -2.458 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.067 -6.881 -0.317 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.679 -7.739 0.787 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.450 -5.436 -0.089 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.757 -7.013 2.111 1.00 0.00 C ATOM 0 H ILE A 84 -11.108 -9.176 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.150 -6.557 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.983 -6.988 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.680 -8.050 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.086 -8.646 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.121 -5.124 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.973 -4.810 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.532 -5.331 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.200 -7.669 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.755 -6.725 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.373 -6.120 2.001 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.076 -6.631 -3.488 1.00 0.00 N ATOM 1300 CA HIS A 85 -7.999 -6.715 -4.449 1.00 0.00 C ATOM 1301 C HIS A 85 -7.019 -5.575 -4.195 1.00 0.00 C ATOM 1302 O HIS A 85 -7.242 -4.444 -4.627 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.591 -6.623 -5.861 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.678 -7.063 -6.962 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -7.663 -6.459 -8.196 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.792 -8.083 -7.035 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -6.811 -7.088 -8.983 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.266 -8.079 -8.303 1.00 0.00 N ATOM 0 H HIS A 85 -9.637 -5.783 -3.568 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.466 -7.661 -4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.497 -7.227 -5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.888 -5.591 -6.047 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.224 -5.650 -8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.544 -8.773 -6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.596 -6.835 -10.011 1.00 0.00 H new ATOM 1317 N LEU A 86 -5.955 -5.871 -3.464 1.00 0.00 N ATOM 1318 CA LEU A 86 -4.981 -4.852 -3.097 1.00 0.00 C ATOM 1319 C LEU A 86 -3.898 -4.730 -4.153 1.00 0.00 C ATOM 1320 O LEU A 86 -3.308 -5.725 -4.563 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.350 -5.151 -1.731 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.213 -4.791 -0.519 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.204 -5.902 -0.203 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.336 -4.482 0.683 1.00 0.00 C ATOM 0 H LEU A 86 -5.744 -6.805 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.513 -3.903 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.112 -6.214 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.407 -4.609 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.788 -3.897 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.804 -5.619 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.857 -6.062 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.662 -6.822 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.965 -4.228 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.730 -5.355 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.683 -3.641 0.450 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.661 -3.502 -4.596 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.618 -3.221 -5.576 1.00 0.00 C ATOM 1338 C HIS A 87 -1.475 -2.475 -4.907 1.00 0.00 C ATOM 1339 O HIS A 87 -1.649 -1.336 -4.481 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.152 -2.358 -6.725 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.325 -2.932 -7.450 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.211 -3.656 -8.618 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -5.650 -2.850 -7.187 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -5.414 -3.987 -9.044 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.302 -3.511 -8.193 1.00 0.00 N ATOM 0 H HIS A 87 -4.180 -2.679 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.273 -4.174 -5.977 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.431 -1.382 -6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.347 -2.193 -7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.107 -2.356 -6.342 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.635 -4.552 -9.938 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.313 -3.618 -8.272 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.322 -3.113 -4.807 1.00 0.00 N ATOM 1355 CA ALA A 88 0.849 -2.469 -4.239 1.00 0.00 C ATOM 1356 C ALA A 88 1.695 -1.846 -5.337 1.00 0.00 C ATOM 1357 O ALA A 88 2.348 -2.549 -6.113 1.00 0.00 O ATOM 1358 CB ALA A 88 1.677 -3.452 -3.431 1.00 0.00 C ATOM 0 H ALA A 88 -0.172 -4.075 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 88 0.507 -1.682 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.547 -2.942 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.073 -3.855 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.007 -4.267 -4.076 1.00 0.00 H new ATOM 1364 N TRP A 89 1.659 -0.530 -5.411 1.00 0.00 N ATOM 1365 CA TRP A 89 2.459 0.200 -6.374 1.00 0.00 C ATOM 1366 C TRP A 89 3.553 0.985 -5.668 1.00 0.00 C ATOM 1367 O TRP A 89 3.395 1.401 -4.521 1.00 0.00 O ATOM 1368 CB TRP A 89 1.588 1.138 -7.212 1.00 0.00 C ATOM 1369 CG TRP A 89 0.719 0.418 -8.201 1.00 0.00 C ATOM 1370 CD1 TRP A 89 1.119 -0.530 -9.093 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.686 0.599 -8.414 1.00 0.00 C ATOM 1372 NE1 TRP A 89 0.052 -0.953 -9.845 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -1.067 -0.277 -9.447 1.00 0.00 C ATOM 1374 CE3 TRP A 89 -1.658 1.414 -7.831 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -2.378 -0.360 -9.907 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 -2.956 1.330 -8.289 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -3.307 0.448 -9.317 1.00 0.00 C ATOM 0 H TRP A 89 1.080 0.058 -4.812 1.00 0.00 H new ATOM 0 HA TRP A 89 2.923 -0.523 -7.045 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.957 1.728 -6.547 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.230 1.838 -7.746 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.130 -0.896 -9.194 1.00 0.00 H new ATOM 0 HE1 TRP A 89 0.088 -1.658 -10.582 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -1.398 2.097 -7.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.650 -1.039 -10.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.716 1.957 -7.846 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -4.333 0.406 -9.650 1.00 0.00 H new ATOM 1388 N HIS A 90 4.659 1.179 -6.359 1.00 0.00 N ATOM 1389 CA HIS A 90 5.789 1.903 -5.801 1.00 0.00 C ATOM 1390 C HIS A 90 5.727 3.359 -6.232 1.00 0.00 C ATOM 1391 O HIS A 90 5.524 3.653 -7.408 1.00 0.00 O ATOM 1392 CB HIS A 90 7.113 1.264 -6.248 1.00 0.00 C ATOM 1393 CG HIS A 90 8.345 2.028 -5.844 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.101 2.757 -6.734 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.963 2.150 -4.651 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.127 3.292 -6.105 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.073 2.940 -4.839 1.00 0.00 N ATOM 0 H HIS A 90 4.801 0.845 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 90 5.740 1.853 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.174 0.258 -5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.104 1.162 -7.333 1.00 0.00 H new ATOM 0 HD1 HIS A 90 8.898 2.866 -7.728 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.644 1.708 -3.719 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.886 3.916 -6.554 1.00 0.00 H new ATOM 1406 N VAL A 91 5.870 4.258 -5.273 1.00 0.00 N ATOM 1407 CA VAL A 91 5.909 5.678 -5.566 1.00 0.00 C ATOM 1408 C VAL A 91 7.351 6.126 -5.789 1.00 0.00 C ATOM 1409 O VAL A 91 8.129 6.232 -4.842 1.00 0.00 O ATOM 1410 CB VAL A 91 5.274 6.506 -4.427 1.00 0.00 C ATOM 1411 CG1 VAL A 91 5.286 7.990 -4.766 1.00 0.00 C ATOM 1412 CG2 VAL A 91 3.856 6.031 -4.149 1.00 0.00 C ATOM 0 H VAL A 91 5.961 4.028 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 91 5.329 5.849 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 91 5.869 6.359 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.834 8.553 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.314 8.322 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.718 8.159 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.424 6.626 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.251 6.145 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.875 4.982 -3.855 1.00 0.00 H new ATOM 1422 N PRO A 92 7.730 6.351 -7.058 1.00 0.00 N ATOM 1423 CA PRO A 92 9.087 6.763 -7.419 1.00 0.00 C ATOM 1424 C PRO A 92 9.360 8.231 -7.099 1.00 0.00 C ATOM 1425 O PRO A 92 10.501 8.619 -6.840 1.00 0.00 O ATOM 1426 CB PRO A 92 9.134 6.521 -8.932 1.00 0.00 C ATOM 1427 CG PRO A 92 7.719 6.662 -9.388 1.00 0.00 C ATOM 1428 CD PRO A 92 6.863 6.200 -8.242 1.00 0.00 C ATOM 0 HA PRO A 92 9.844 6.213 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.783 7.243 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.526 5.530 -9.162 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.495 7.696 -9.649 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.535 6.061 -10.279 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.959 6.802 -8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.546 5.166 -8.374 1.00 0.00 H new ATOM 1436 N ASP A 93 8.309 9.042 -7.101 1.00 0.00 N ATOM 1437 CA ASP A 93 8.453 10.476 -6.884 1.00 0.00 C ATOM 1438 C ASP A 93 7.178 11.061 -6.289 1.00 0.00 C ATOM 1439 O ASP A 93 6.072 10.648 -6.649 1.00 0.00 O ATOM 1440 CB ASP A 93 8.777 11.175 -8.206 1.00 0.00 C ATOM 1441 CG ASP A 93 9.285 12.589 -8.013 1.00 0.00 C ATOM 1442 OD1 ASP A 93 10.509 12.765 -7.841 1.00 0.00 O ATOM 1443 OD2 ASP A 93 8.469 13.533 -8.044 1.00 0.00 O ATOM 0 H ASP A 93 7.349 8.732 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 93 9.270 10.638 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.526 10.595 -8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.883 11.197 -8.829 1.00 0.00 H new ATOM 1448 N PHE A 94 7.333 12.008 -5.373 1.00 0.00 N ATOM 1449 CA PHE A 94 6.195 12.667 -4.745 1.00 0.00 C ATOM 1450 C PHE A 94 6.521 14.128 -4.441 1.00 0.00 C ATOM 1451 O PHE A 94 7.650 14.461 -4.079 1.00 0.00 O ATOM 1452 CB PHE A 94 5.786 11.930 -3.460 1.00 0.00 C ATOM 1453 CG PHE A 94 6.896 11.785 -2.450 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.749 10.692 -2.490 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.085 12.738 -1.463 1.00 0.00 C ATOM 1456 CE1 PHE A 94 8.768 10.555 -1.565 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.101 12.608 -0.538 1.00 0.00 C ATOM 1458 CZ PHE A 94 8.946 11.517 -0.589 1.00 0.00 C ATOM 0 H PHE A 94 8.241 12.339 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 94 5.356 12.639 -5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 94 4.956 12.464 -2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.419 10.938 -3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.616 9.939 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.429 13.594 -1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.424 9.698 -1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.235 13.360 0.226 1.00 0.00 H new ATOM 0 HZ PHE A 94 9.744 11.416 0.132 1.00 0.00 H new ATOM 1468 N HIS A 95 5.534 14.996 -4.611 1.00 0.00 N ATOM 1469 CA HIS A 95 5.711 16.422 -4.367 1.00 0.00 C ATOM 1470 C HIS A 95 5.068 16.831 -3.044 1.00 0.00 C ATOM 1471 O HIS A 95 3.874 16.642 -2.846 1.00 0.00 O ATOM 1472 CB HIS A 95 5.099 17.226 -5.523 1.00 0.00 C ATOM 1473 CG HIS A 95 5.253 18.712 -5.386 1.00 0.00 C ATOM 1474 ND1 HIS A 95 6.397 19.385 -5.743 1.00 0.00 N ATOM 1475 CD2 HIS A 95 4.395 19.653 -4.925 1.00 0.00 C ATOM 1476 CE1 HIS A 95 6.242 20.673 -5.509 1.00 0.00 C ATOM 1477 NE2 HIS A 95 5.035 20.865 -5.011 1.00 0.00 N ATOM 0 H HIS A 95 4.597 14.736 -4.919 1.00 0.00 H new ATOM 0 HA HIS A 95 6.778 16.634 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.562 16.908 -6.457 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.038 16.987 -5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.394 19.482 -4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.978 21.441 -5.694 1.00 0.00 H new ATOM 0 HE2 HIS A 95 4.642 21.765 -4.735 1.00 0.00 H new ATOM 1486 N GLY A 96 5.867 17.391 -2.147 1.00 0.00 N ATOM 1487 CA GLY A 96 5.348 17.854 -0.873 1.00 0.00 C ATOM 1488 C GLY A 96 6.108 17.264 0.292 1.00 0.00 C ATOM 1489 O GLY A 96 7.187 16.697 0.106 1.00 0.00 O ATOM 0 H GLY A 96 6.868 17.534 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.406 18.942 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.294 17.587 -0.792 1.00 0.00 H new ATOM 1493 N THR A 97 5.558 17.387 1.491 1.00 0.00 N ATOM 1494 CA THR A 97 6.176 16.807 2.661 1.00 0.00 C ATOM 1495 C THR A 97 5.243 15.772 3.261 1.00 0.00 C ATOM 1496 O THR A 97 4.116 16.084 3.649 1.00 0.00 O ATOM 1497 CB THR A 97 6.522 17.865 3.725 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.274 18.932 3.127 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.331 17.235 4.852 1.00 0.00 C ATOM 0 H THR A 97 4.686 17.884 1.673 1.00 0.00 H new ATOM 0 HA THR A 97 7.110 16.343 2.345 1.00 0.00 H new ATOM 0 HB THR A 97 5.595 18.264 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.489 19.602 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.569 17.994 5.597 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.749 16.440 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.255 16.820 4.449 1.00 0.00 H new ATOM 1507 N LEU A 98 5.725 14.550 3.325 1.00 0.00 N ATOM 1508 CA LEU A 98 4.909 13.435 3.759 1.00 0.00 C ATOM 1509 C LEU A 98 4.654 13.498 5.257 1.00 0.00 C ATOM 1510 O LEU A 98 5.579 13.484 6.070 1.00 0.00 O ATOM 1511 CB LEU A 98 5.519 12.089 3.344 1.00 0.00 C ATOM 1512 CG LEU A 98 6.951 11.796 3.806 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.245 10.321 3.640 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.971 12.601 3.011 1.00 0.00 C ATOM 0 H LEU A 98 6.684 14.302 3.081 1.00 0.00 H new ATOM 0 HA LEU A 98 3.946 13.515 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.874 11.295 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.496 12.029 2.256 1.00 0.00 H new ATOM 0 HG LEU A 98 7.030 12.083 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.263 10.114 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.545 9.741 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.139 10.045 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.975 12.368 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.891 12.347 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.778 13.665 3.144 1.00 0.00 H new ATOM 1526 N GLN A 99 3.383 13.595 5.599 1.00 0.00 N ATOM 1527 CA GLN A 99 2.954 13.735 6.977 1.00 0.00 C ATOM 1528 C GLN A 99 1.986 12.609 7.328 1.00 0.00 C ATOM 1529 O GLN A 99 1.543 11.881 6.448 1.00 0.00 O ATOM 1530 CB GLN A 99 2.277 15.097 7.160 1.00 0.00 C ATOM 1531 CG GLN A 99 0.990 15.241 6.359 1.00 0.00 C ATOM 1532 CD GLN A 99 0.295 16.572 6.575 1.00 0.00 C ATOM 1533 OE1 GLN A 99 0.936 17.589 6.846 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -1.026 16.575 6.448 1.00 0.00 N ATOM 0 H GLN A 99 2.617 13.579 4.926 1.00 0.00 H new ATOM 0 HA GLN A 99 3.816 13.675 7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.058 15.247 8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.971 15.883 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.215 15.124 5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.309 14.435 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.519 15.711 6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.549 17.442 6.576 1.00 0.00 H new ATOM 1543 N ALA A 100 1.670 12.458 8.602 1.00 0.00 N ATOM 1544 CA ALA A 100 0.717 11.445 9.022 1.00 0.00 C ATOM 1545 C ALA A 100 -0.538 12.098 9.587 1.00 0.00 C ATOM 1546 O ALA A 100 -0.529 12.623 10.700 1.00 0.00 O ATOM 1547 CB ALA A 100 1.351 10.508 10.042 1.00 0.00 C ATOM 0 H ALA A 100 2.057 13.020 9.360 1.00 0.00 H new ATOM 0 HA ALA A 100 0.430 10.854 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.624 9.755 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.216 10.017 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.667 11.080 10.914 1.00 0.00 H new ATOM 1553 N HIS A 101 -1.612 12.088 8.806 1.00 0.00 N ATOM 1554 CA HIS A 101 -2.860 12.720 9.224 1.00 0.00 C ATOM 1555 C HIS A 101 -3.752 11.737 9.976 1.00 0.00 C ATOM 1556 O HIS A 101 -3.961 11.874 11.182 1.00 0.00 O ATOM 1557 CB HIS A 101 -3.610 13.293 8.017 1.00 0.00 C ATOM 1558 CG HIS A 101 -4.835 14.070 8.394 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -4.792 15.339 8.931 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.145 13.742 8.320 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -6.021 15.753 9.173 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -6.859 14.802 8.811 1.00 0.00 N ATOM 0 H HIS A 101 -1.645 11.652 7.884 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.605 13.537 9.899 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.937 13.940 7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.896 12.476 7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.552 12.815 7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.294 16.709 9.596 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.875 14.848 8.885 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.279 10.751 9.263 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.160 9.764 9.868 1.00 0.00 C ATOM 1573 C GLU A 102 -4.343 8.758 10.657 1.00 0.00 C ATOM 1574 O GLU A 102 -4.753 8.299 11.724 1.00 0.00 O ATOM 1575 CB GLU A 102 -5.989 9.062 8.794 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.132 9.911 8.269 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.037 10.394 9.381 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.640 9.548 10.075 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.130 11.618 9.585 1.00 0.00 O ATOM 0 H GLU A 102 -4.112 10.614 8.266 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.844 10.269 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.338 8.787 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.392 8.135 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.729 10.769 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.715 9.331 7.553 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.181 8.428 10.128 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.250 7.568 10.829 1.00 0.00 C ATOM 1588 C HIS A 103 -1.380 8.433 11.735 1.00 0.00 C ATOM 1589 O HIS A 103 -1.257 9.632 11.502 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.418 6.742 9.837 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.263 5.873 8.942 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.018 4.535 8.702 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -3.363 6.177 8.217 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -2.933 4.068 7.871 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -3.760 5.046 7.563 1.00 0.00 N ATOM 0 H HIS A 103 -2.859 8.744 9.213 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.791 6.850 11.446 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.821 7.416 9.222 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.720 6.114 10.391 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.252 3.993 9.103 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.843 7.143 8.164 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.993 3.054 7.505 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.811 7.851 12.775 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.181 8.645 13.823 1.00 0.00 C ATOM 1606 C GLN A 104 1.325 8.787 13.609 1.00 0.00 C ATOM 1607 O GLN A 104 1.870 9.888 13.693 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.480 8.020 15.185 1.00 0.00 C ATOM 1609 CG GLN A 104 -0.043 8.872 16.361 1.00 0.00 C ATOM 1610 CD GLN A 104 -0.564 8.349 17.686 1.00 0.00 C ATOM 1611 OE1 GLN A 104 0.075 8.512 18.725 1.00 0.00 O ATOM 1612 NE2 GLN A 104 -1.737 7.732 17.665 1.00 0.00 N ATOM 0 H GLN A 104 -0.770 6.842 12.919 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.599 9.651 13.785 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.551 7.835 15.261 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.016 7.051 15.246 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.046 8.910 16.393 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.394 9.894 16.215 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.237 7.616 16.783 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.140 7.373 18.531 1.00 0.00 H new ATOM 1621 N ALA A 105 1.995 7.680 13.334 1.00 0.00 N ATOM 1622 CA ALA A 105 3.437 7.702 13.151 1.00 0.00 C ATOM 1623 C ALA A 105 3.803 7.316 11.728 1.00 0.00 C ATOM 1624 O ALA A 105 3.113 6.511 11.106 1.00 0.00 O ATOM 1625 CB ALA A 105 4.111 6.773 14.149 1.00 0.00 C ATOM 0 H ALA A 105 1.567 6.760 13.233 1.00 0.00 H new ATOM 0 HA ALA A 105 3.792 8.717 13.329 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.190 6.800 14.000 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.877 7.097 15.163 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.750 5.755 14.000 1.00 0.00 H new ATOM 1631 N LEU A 106 4.886 7.888 11.223 1.00 0.00 N ATOM 1632 CA LEU A 106 5.339 7.632 9.861 1.00 0.00 C ATOM 1633 C LEU A 106 6.831 7.320 9.882 1.00 0.00 C ATOM 1634 O LEU A 106 7.629 8.132 10.350 1.00 0.00 O ATOM 1635 CB LEU A 106 5.071 8.857 8.982 1.00 0.00 C ATOM 1636 CG LEU A 106 4.421 8.567 7.629 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.025 8.000 7.818 1.00 0.00 C ATOM 1638 CD2 LEU A 106 4.373 9.832 6.786 1.00 0.00 C ATOM 0 H LEU A 106 5.474 8.540 11.742 1.00 0.00 H new ATOM 0 HA LEU A 106 4.795 6.782 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.430 9.545 9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.016 9.372 8.809 1.00 0.00 H new ATOM 0 HG LEU A 106 5.024 7.824 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.579 7.800 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.083 7.073 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.410 8.720 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.908 9.612 5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.791 10.593 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.386 10.199 6.623 1.00 0.00 H new ATOM 1650 N VAL A 107 7.211 6.153 9.383 1.00 0.00 N ATOM 1651 CA VAL A 107 8.593 5.700 9.497 1.00 0.00 C ATOM 1652 C VAL A 107 9.134 5.204 8.158 1.00 0.00 C ATOM 1653 O VAL A 107 8.385 4.695 7.325 1.00 0.00 O ATOM 1654 CB VAL A 107 8.721 4.571 10.552 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.093 3.274 10.057 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.172 4.349 10.946 1.00 0.00 C ATOM 0 H VAL A 107 6.589 5.506 8.899 1.00 0.00 H new ATOM 0 HA VAL A 107 9.184 6.559 9.815 1.00 0.00 H new ATOM 0 HB VAL A 107 8.174 4.891 11.439 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.200 2.503 10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.035 3.437 9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.594 2.952 9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.230 3.552 11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.749 4.068 10.065 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.579 5.268 11.369 1.00 0.00 H new ATOM 1666 N TRP A 108 10.436 5.374 7.957 1.00 0.00 N ATOM 1667 CA TRP A 108 11.118 4.808 6.802 1.00 0.00 C ATOM 1668 C TRP A 108 11.950 3.611 7.239 1.00 0.00 C ATOM 1669 O TRP A 108 12.902 3.752 8.007 1.00 0.00 O ATOM 1670 CB TRP A 108 12.029 5.838 6.129 1.00 0.00 C ATOM 1671 CG TRP A 108 11.304 6.995 5.513 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.567 6.982 4.364 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.268 8.339 6.001 1.00 0.00 C ATOM 1674 NE1 TRP A 108 10.070 8.238 4.112 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.485 9.087 5.103 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.816 8.984 7.115 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 10.243 10.447 5.281 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 11.575 10.332 7.288 1.00 0.00 C ATOM 1679 CH2 TRP A 108 10.792 11.051 6.378 1.00 0.00 C ATOM 0 H TRP A 108 11.042 5.903 8.584 1.00 0.00 H new ATOM 0 HA TRP A 108 10.361 4.499 6.081 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.735 6.218 6.867 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.614 5.338 5.357 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.399 6.113 3.745 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.487 8.496 3.316 1.00 0.00 H new ATOM 0 HE3 TRP A 108 12.417 8.437 7.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.643 11.005 4.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 11.998 10.841 8.141 1.00 0.00 H new ATOM 0 HH2 TRP A 108 10.618 12.104 6.545 1.00 0.00 H new ATOM 1690 N CYS A 109 11.590 2.440 6.759 1.00 0.00 N ATOM 1691 CA CYS A 109 12.307 1.220 7.105 1.00 0.00 C ATOM 1692 C CYS A 109 12.760 0.498 5.844 1.00 0.00 C ATOM 1693 O CYS A 109 12.115 0.601 4.808 1.00 0.00 O ATOM 1694 CB CYS A 109 11.409 0.307 7.944 1.00 0.00 C ATOM 1695 SG CYS A 109 9.801 -0.036 7.192 1.00 0.00 S ATOM 0 H CYS A 109 10.803 2.301 6.125 1.00 0.00 H new ATOM 0 HA CYS A 109 13.189 1.483 7.690 1.00 0.00 H new ATOM 0 HB2 CYS A 109 11.927 -0.637 8.116 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.252 0.766 8.920 1.00 0.00 H new ATOM 0 HG CYS A 109 9.901 0.043 5.898 1.00 0.00 H new ATOM 1701 N SER A 110 13.863 -0.231 5.927 1.00 0.00 N ATOM 1702 CA SER A 110 14.359 -0.984 4.781 1.00 0.00 C ATOM 1703 C SER A 110 13.369 -2.109 4.444 1.00 0.00 C ATOM 1704 O SER A 110 12.590 -2.513 5.308 1.00 0.00 O ATOM 1705 CB SER A 110 15.740 -1.563 5.094 1.00 0.00 C ATOM 1706 OG SER A 110 16.642 -0.543 5.494 1.00 0.00 O ATOM 0 H SER A 110 14.430 -0.318 6.770 1.00 0.00 H new ATOM 0 HA SER A 110 14.450 -0.321 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.655 -2.308 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.131 -2.075 4.215 1.00 0.00 H new ATOM 0 HG SER A 110 17.517 -0.938 5.690 1.00 0.00 H new ATOM 1712 N PRO A 111 13.368 -2.621 3.197 1.00 0.00 N ATOM 1713 CA PRO A 111 12.465 -3.698 2.777 1.00 0.00 C ATOM 1714 C PRO A 111 12.409 -4.854 3.776 1.00 0.00 C ATOM 1715 O PRO A 111 11.331 -5.247 4.221 1.00 0.00 O ATOM 1716 CB PRO A 111 13.049 -4.177 1.437 1.00 0.00 C ATOM 1717 CG PRO A 111 14.332 -3.430 1.255 1.00 0.00 C ATOM 1718 CD PRO A 111 14.220 -2.189 2.089 1.00 0.00 C ATOM 0 HA PRO A 111 11.438 -3.341 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 111 13.223 -5.253 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 111 12.360 -3.975 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 111 15.182 -4.035 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 111 14.491 -3.180 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.194 -1.846 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.773 -1.366 1.532 1.00 0.00 H new ATOM 1726 N GLU A 112 13.573 -5.387 4.141 1.00 0.00 N ATOM 1727 CA GLU A 112 13.635 -6.512 5.073 1.00 0.00 C ATOM 1728 C GLU A 112 13.172 -6.098 6.471 1.00 0.00 C ATOM 1729 O GLU A 112 12.654 -6.916 7.230 1.00 0.00 O ATOM 1730 CB GLU A 112 15.052 -7.087 5.129 1.00 0.00 C ATOM 1731 CG GLU A 112 16.093 -6.116 5.659 1.00 0.00 C ATOM 1732 CD GLU A 112 17.498 -6.646 5.504 1.00 0.00 C ATOM 1733 OE1 GLU A 112 18.091 -6.452 4.424 1.00 0.00 O ATOM 1734 OE2 GLU A 112 18.017 -7.268 6.454 1.00 0.00 O ATOM 0 H GLU A 112 14.481 -5.061 3.809 1.00 0.00 H new ATOM 0 HA GLU A 112 12.959 -7.285 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.047 -7.977 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.344 -7.405 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.004 -5.167 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.897 -5.914 6.712 1.00 0.00 H new ATOM 1741 N GLU A 113 13.354 -4.827 6.805 1.00 0.00 N ATOM 1742 CA GLU A 113 12.922 -4.309 8.097 1.00 0.00 C ATOM 1743 C GLU A 113 11.403 -4.321 8.190 1.00 0.00 C ATOM 1744 O GLU A 113 10.845 -4.704 9.212 1.00 0.00 O ATOM 1745 CB GLU A 113 13.435 -2.884 8.312 1.00 0.00 C ATOM 1746 CG GLU A 113 14.947 -2.772 8.338 1.00 0.00 C ATOM 1747 CD GLU A 113 15.566 -3.426 9.552 1.00 0.00 C ATOM 1748 OE1 GLU A 113 15.669 -2.758 10.604 1.00 0.00 O ATOM 1749 OE2 GLU A 113 15.971 -4.601 9.458 1.00 0.00 O ATOM 0 H GLU A 113 13.797 -4.136 6.200 1.00 0.00 H new ATOM 0 HA GLU A 113 13.337 -4.953 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.047 -2.245 7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.036 -2.503 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.355 -3.230 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.228 -1.719 8.316 1.00 0.00 H new ATOM 1756 N ALA A 114 10.748 -3.939 7.097 1.00 0.00 N ATOM 1757 CA ALA A 114 9.296 -3.778 7.070 1.00 0.00 C ATOM 1758 C ALA A 114 8.567 -5.062 7.450 1.00 0.00 C ATOM 1759 O ALA A 114 7.593 -5.028 8.196 1.00 0.00 O ATOM 1760 CB ALA A 114 8.845 -3.305 5.695 1.00 0.00 C ATOM 0 H ALA A 114 11.205 -3.733 6.209 1.00 0.00 H new ATOM 0 HA ALA A 114 9.039 -3.025 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.761 -3.189 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.314 -2.348 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.136 -4.039 4.944 1.00 0.00 H new ATOM 1766 N LEU A 115 9.045 -6.195 6.953 1.00 0.00 N ATOM 1767 CA LEU A 115 8.386 -7.473 7.213 1.00 0.00 C ATOM 1768 C LEU A 115 8.613 -7.933 8.654 1.00 0.00 C ATOM 1769 O LEU A 115 7.966 -8.869 9.123 1.00 0.00 O ATOM 1770 CB LEU A 115 8.876 -8.531 6.217 1.00 0.00 C ATOM 1771 CG LEU A 115 7.774 -9.320 5.489 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.169 -10.385 6.387 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.684 -8.383 4.991 1.00 0.00 C ATOM 0 H LEU A 115 9.880 -6.258 6.371 1.00 0.00 H new ATOM 0 HA LEU A 115 7.313 -7.337 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.500 -8.040 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.513 -9.238 6.749 1.00 0.00 H new ATOM 0 HG LEU A 115 8.236 -9.815 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.394 -10.924 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.946 -11.083 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.732 -9.913 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.914 -8.960 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.241 -7.858 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.115 -7.659 4.299 1.00 0.00 H new ATOM 1785 N GLN A 116 9.533 -7.279 9.358 1.00 0.00 N ATOM 1786 CA GLN A 116 9.743 -7.543 10.777 1.00 0.00 C ATOM 1787 C GLN A 116 8.812 -6.676 11.623 1.00 0.00 C ATOM 1788 O GLN A 116 8.718 -6.840 12.840 1.00 0.00 O ATOM 1789 CB GLN A 116 11.199 -7.268 11.156 1.00 0.00 C ATOM 1790 CG GLN A 116 12.197 -8.179 10.460 1.00 0.00 C ATOM 1791 CD GLN A 116 13.629 -7.722 10.654 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.292 -8.098 11.620 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.120 -6.926 9.721 1.00 0.00 N ATOM 0 H GLN A 116 10.145 -6.562 8.968 1.00 0.00 H new ATOM 0 HA GLN A 116 9.519 -8.592 10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.438 -6.232 10.915 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.311 -7.379 12.235 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.087 -9.194 10.843 1.00 0.00 H new ATOM 0 HG3 GLN A 116 11.971 -8.214 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.535 -6.638 8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.084 -6.599 9.785 1.00 0.00 H new ATOM 1802 N TYR A 117 8.130 -5.748 10.968 1.00 0.00 N ATOM 1803 CA TYR A 117 7.174 -4.878 11.639 1.00 0.00 C ATOM 1804 C TYR A 117 5.800 -5.537 11.646 1.00 0.00 C ATOM 1805 O TYR A 117 5.515 -6.384 10.799 1.00 0.00 O ATOM 1806 CB TYR A 117 7.100 -3.514 10.942 1.00 0.00 C ATOM 1807 CG TYR A 117 8.226 -2.567 11.307 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.552 -2.919 11.099 1.00 0.00 C ATOM 1809 CD2 TYR A 117 7.959 -1.316 11.849 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.581 -2.057 11.420 1.00 0.00 C ATOM 1811 CE2 TYR A 117 8.984 -0.446 12.176 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.293 -0.824 11.958 1.00 0.00 C ATOM 1813 OH TYR A 117 11.321 0.036 12.274 1.00 0.00 O ATOM 0 H TYR A 117 8.222 -5.577 9.967 1.00 0.00 H new ATOM 0 HA TYR A 117 7.505 -4.720 12.665 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.106 -3.669 9.863 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.149 -3.043 11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.783 -3.886 10.678 1.00 0.00 H new ATOM 0 HD2 TYR A 117 6.935 -1.018 12.018 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.607 -2.349 11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 117 8.761 0.522 12.599 1.00 0.00 H new ATOM 0 HH TYR A 117 10.952 0.865 12.643 1.00 0.00 H new ATOM 1823 N PRO A 118 4.943 -5.184 12.614 1.00 0.00 N ATOM 1824 CA PRO A 118 3.578 -5.712 12.684 1.00 0.00 C ATOM 1825 C PRO A 118 2.713 -5.230 11.519 1.00 0.00 C ATOM 1826 O PRO A 118 1.947 -4.274 11.647 1.00 0.00 O ATOM 1827 CB PRO A 118 3.046 -5.178 14.017 1.00 0.00 C ATOM 1828 CG PRO A 118 3.883 -3.980 14.309 1.00 0.00 C ATOM 1829 CD PRO A 118 5.238 -4.266 13.727 1.00 0.00 C ATOM 0 HA PRO A 118 3.558 -6.800 12.619 1.00 0.00 H new ATOM 0 HB2 PRO A 118 1.991 -4.915 13.945 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.135 -5.925 14.806 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.449 -3.084 13.865 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.949 -3.803 15.383 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.726 -3.356 13.379 1.00 0.00 H new ATOM 0 HD3 PRO A 118 5.902 -4.723 14.460 1.00 0.00 H new ATOM 1837 N LEU A 119 2.884 -5.878 10.377 1.00 0.00 N ATOM 1838 CA LEU A 119 2.110 -5.569 9.185 1.00 0.00 C ATOM 1839 C LEU A 119 0.833 -6.401 9.154 1.00 0.00 C ATOM 1840 O LEU A 119 0.773 -7.485 9.743 1.00 0.00 O ATOM 1841 CB LEU A 119 2.937 -5.847 7.924 1.00 0.00 C ATOM 1842 CG LEU A 119 4.156 -4.941 7.701 1.00 0.00 C ATOM 1843 CD1 LEU A 119 4.885 -5.349 6.432 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.736 -3.482 7.620 1.00 0.00 C ATOM 0 H LEU A 119 3.561 -6.630 10.251 1.00 0.00 H new ATOM 0 HA LEU A 119 1.847 -4.512 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.280 -6.881 7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.281 -5.759 7.058 1.00 0.00 H new ATOM 0 HG LEU A 119 4.830 -5.056 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.748 -4.700 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.219 -6.383 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.211 -5.258 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.616 -2.858 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.043 -3.349 6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.248 -3.192 8.550 1.00 0.00 H new ATOM 1856 N ALA A 120 -0.191 -5.888 8.481 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.449 -6.609 8.338 1.00 0.00 C ATOM 1858 C ALA A 120 -1.290 -7.782 7.364 1.00 0.00 C ATOM 1859 O ALA A 120 -0.359 -7.801 6.557 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.547 -5.658 7.875 1.00 0.00 C ATOM 0 H ALA A 120 -0.174 -4.975 8.026 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.734 -7.017 9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.483 -6.206 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.672 -4.862 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.272 -5.225 6.913 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.200 -8.778 7.424 1.00 0.00 N ATOM 1867 CA PRO A 121 -2.135 -9.985 6.577 1.00 0.00 C ATOM 1868 C PRO A 121 -2.188 -9.681 5.078 1.00 0.00 C ATOM 1869 O PRO A 121 -1.917 -10.548 4.247 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.374 -10.790 6.995 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.269 -9.809 7.669 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.358 -8.822 8.332 1.00 0.00 C ATOM 0 HA PRO A 121 -1.190 -10.510 6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.862 -11.239 6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.106 -11.605 7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.923 -9.317 6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.911 -10.302 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.828 -7.844 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.074 -9.145 9.333 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.547 -8.455 4.730 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.595 -8.049 3.336 1.00 0.00 C ATOM 1882 C ALA A 122 -1.276 -7.411 2.916 1.00 0.00 C ATOM 1883 O ALA A 122 -0.860 -7.527 1.765 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.748 -7.087 3.099 1.00 0.00 C ATOM 0 H ALA A 122 -2.809 -7.726 5.393 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.756 -8.939 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.768 -6.794 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.688 -7.575 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.616 -6.201 3.720 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.610 -6.776 3.874 1.00 0.00 N ATOM 1891 CA ASP A 123 0.618 -6.029 3.613 1.00 0.00 C ATOM 1892 C ASP A 123 1.808 -6.965 3.506 1.00 0.00 C ATOM 1893 O ASP A 123 2.771 -6.686 2.788 1.00 0.00 O ATOM 1894 CB ASP A 123 0.877 -5.023 4.738 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.231 -4.000 4.877 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.314 -4.369 5.378 1.00 0.00 O ATOM 1897 OD2 ASP A 123 -0.024 -2.833 4.483 1.00 0.00 O ATOM 0 H ASP A 123 -0.904 -6.764 4.851 1.00 0.00 H new ATOM 0 HA ASP A 123 0.492 -5.501 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.990 -5.560 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.819 -4.508 4.549 1.00 0.00 H new ATOM 1902 N ILE A 124 1.726 -8.085 4.210 1.00 0.00 N ATOM 1903 CA ILE A 124 2.820 -9.043 4.257 1.00 0.00 C ATOM 1904 C ILE A 124 3.148 -9.571 2.854 1.00 0.00 C ATOM 1905 O ILE A 124 4.260 -9.368 2.374 1.00 0.00 O ATOM 1906 CB ILE A 124 2.504 -10.217 5.215 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.305 -9.690 6.638 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.616 -11.261 5.181 1.00 0.00 C ATOM 1909 CD1 ILE A 124 1.888 -10.752 7.633 1.00 0.00 C ATOM 0 H ILE A 124 0.909 -8.353 4.759 1.00 0.00 H new ATOM 0 HA ILE A 124 3.695 -8.520 4.643 1.00 0.00 H new ATOM 0 HB ILE A 124 1.583 -10.697 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.234 -9.232 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.549 -8.905 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.371 -12.076 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.717 -11.652 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.556 -10.802 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.767 -10.301 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 124 0.943 -11.194 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.653 -11.527 7.680 1.00 0.00 H new ATOM 1921 N PRO A 125 2.180 -10.220 2.159 1.00 0.00 N ATOM 1922 CA PRO A 125 2.406 -10.762 0.810 1.00 0.00 C ATOM 1923 C PRO A 125 2.847 -9.697 -0.190 1.00 0.00 C ATOM 1924 O PRO A 125 3.529 -9.997 -1.169 1.00 0.00 O ATOM 1925 CB PRO A 125 1.039 -11.332 0.403 1.00 0.00 C ATOM 1926 CG PRO A 125 0.063 -10.718 1.345 1.00 0.00 C ATOM 1927 CD PRO A 125 0.810 -10.487 2.621 1.00 0.00 C ATOM 0 HA PRO A 125 3.208 -11.501 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.800 -11.081 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.028 -12.419 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.328 -9.782 0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.791 -11.376 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.402 -9.646 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.768 -11.357 3.277 1.00 0.00 H new ATOM 1935 N LEU A 126 2.462 -8.452 0.063 1.00 0.00 N ATOM 1936 CA LEU A 126 2.803 -7.356 -0.830 1.00 0.00 C ATOM 1937 C LEU A 126 4.268 -6.974 -0.663 1.00 0.00 C ATOM 1938 O LEU A 126 4.978 -6.752 -1.644 1.00 0.00 O ATOM 1939 CB LEU A 126 1.905 -6.145 -0.562 1.00 0.00 C ATOM 1940 CG LEU A 126 0.414 -6.373 -0.819 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.386 -5.130 -0.457 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.171 -6.762 -2.271 1.00 0.00 C ATOM 0 H LEU A 126 1.914 -8.178 0.879 1.00 0.00 H new ATOM 0 HA LEU A 126 2.642 -7.685 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.036 -5.838 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.243 -5.317 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 126 0.080 -7.195 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.444 -5.310 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.240 -4.898 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.047 -4.290 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.896 -6.919 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.523 -5.964 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.712 -7.681 -2.497 1.00 0.00 H new ATOM 1954 N LEU A 127 4.725 -6.919 0.582 1.00 0.00 N ATOM 1955 CA LEU A 127 6.113 -6.588 0.859 1.00 0.00 C ATOM 1956 C LEU A 127 7.008 -7.767 0.498 1.00 0.00 C ATOM 1957 O LEU A 127 8.110 -7.575 -0.023 1.00 0.00 O ATOM 1958 CB LEU A 127 6.295 -6.191 2.330 1.00 0.00 C ATOM 1959 CG LEU A 127 7.612 -5.476 2.673 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.784 -6.445 2.742 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.889 -4.388 1.652 1.00 0.00 C ATOM 0 H LEU A 127 4.157 -7.099 1.410 1.00 0.00 H new ATOM 0 HA LEU A 127 6.400 -5.733 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.467 -5.543 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.222 -7.091 2.941 1.00 0.00 H new ATOM 0 HG LEU A 127 7.501 -5.029 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.694 -5.898 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.592 -7.193 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.905 -6.938 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.824 -3.885 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.969 -4.832 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.074 -3.664 1.661 1.00 0.00 H new ATOM 1973 N GLU A 128 6.528 -8.986 0.759 1.00 0.00 N ATOM 1974 CA GLU A 128 7.254 -10.197 0.382 1.00 0.00 C ATOM 1975 C GLU A 128 7.643 -10.149 -1.092 1.00 0.00 C ATOM 1976 O GLU A 128 8.767 -10.490 -1.457 1.00 0.00 O ATOM 1977 CB GLU A 128 6.395 -11.440 0.645 1.00 0.00 C ATOM 1978 CG GLU A 128 6.113 -11.696 2.118 1.00 0.00 C ATOM 1979 CD GLU A 128 7.122 -12.621 2.769 1.00 0.00 C ATOM 1980 OE1 GLU A 128 8.337 -12.443 2.551 1.00 0.00 O ATOM 1981 OE2 GLU A 128 6.702 -13.534 3.510 1.00 0.00 O ATOM 0 H GLU A 128 5.640 -9.158 1.230 1.00 0.00 H new ATOM 0 HA GLU A 128 8.158 -10.253 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.447 -11.333 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.897 -12.312 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.106 -10.745 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.117 -12.126 2.221 1.00 0.00 H new ATOM 1988 N ALA A 129 6.722 -9.693 -1.935 1.00 0.00 N ATOM 1989 CA ALA A 129 6.992 -9.600 -3.361 1.00 0.00 C ATOM 1990 C ALA A 129 7.745 -8.329 -3.718 1.00 0.00 C ATOM 1991 O ALA A 129 8.398 -8.270 -4.756 1.00 0.00 O ATOM 1992 CB ALA A 129 5.718 -9.681 -4.172 1.00 0.00 C ATOM 0 H ALA A 129 5.790 -9.385 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 129 7.624 -10.453 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 129 5.957 -9.608 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.222 -10.632 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.056 -8.862 -3.892 1.00 0.00 H new ATOM 1998 N PHE A 130 7.674 -7.312 -2.869 1.00 0.00 N ATOM 1999 CA PHE A 130 8.398 -6.080 -3.129 1.00 0.00 C ATOM 2000 C PHE A 130 9.884 -6.329 -2.953 1.00 0.00 C ATOM 2001 O PHE A 130 10.704 -5.923 -3.780 1.00 0.00 O ATOM 2002 CB PHE A 130 7.940 -4.962 -2.189 1.00 0.00 C ATOM 2003 CG PHE A 130 8.666 -3.661 -2.405 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.267 -2.788 -3.404 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.751 -3.314 -1.614 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.930 -1.594 -3.608 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.419 -2.121 -1.816 1.00 0.00 C ATOM 2008 CZ PHE A 130 10.008 -1.260 -2.814 1.00 0.00 C ATOM 0 H PHE A 130 7.130 -7.317 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 130 8.193 -5.763 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.871 -4.799 -2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.085 -5.283 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.426 -3.045 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.077 -3.983 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.605 -0.922 -4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.263 -1.862 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.529 -0.327 -2.973 1.00 0.00 H new ATOM 2018 N MET A 131 10.225 -7.005 -1.865 1.00 0.00 N ATOM 2019 CA MET A 131 11.599 -7.388 -1.622 1.00 0.00 C ATOM 2020 C MET A 131 12.015 -8.459 -2.623 1.00 0.00 C ATOM 2021 O MET A 131 13.166 -8.493 -3.049 1.00 0.00 O ATOM 2022 CB MET A 131 11.798 -7.860 -0.172 1.00 0.00 C ATOM 2023 CG MET A 131 11.092 -9.160 0.176 1.00 0.00 C ATOM 2024 SD MET A 131 11.335 -9.642 1.897 1.00 0.00 S ATOM 2025 CE MET A 131 13.115 -9.833 1.953 1.00 0.00 C ATOM 0 H MET A 131 9.568 -7.297 -1.141 1.00 0.00 H new ATOM 0 HA MET A 131 12.239 -6.517 -1.760 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.865 -7.981 0.013 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.445 -7.079 0.501 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.025 -9.054 -0.020 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.458 -9.954 -0.475 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.388 -10.453 2.807 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.459 -10.309 1.035 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.583 -8.854 2.051 1.00 0.00 H new ATOM 2035 N ALA A 132 11.070 -9.318 -3.022 1.00 0.00 N ATOM 2036 CA ALA A 132 11.317 -10.308 -4.066 1.00 0.00 C ATOM 2037 C ALA A 132 11.691 -9.643 -5.385 1.00 0.00 C ATOM 2038 O ALA A 132 12.641 -10.052 -6.051 1.00 0.00 O ATOM 2039 CB ALA A 132 10.086 -11.187 -4.260 1.00 0.00 C ATOM 0 H ALA A 132 10.127 -9.344 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 132 12.156 -10.926 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.283 -11.921 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.856 -11.702 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.238 -10.567 -4.550 1.00 0.00 H new ATOM 2045 N LEU A 133 10.959 -8.594 -5.744 1.00 0.00 N ATOM 2046 CA LEU A 133 11.165 -7.905 -7.013 1.00 0.00 C ATOM 2047 C LEU A 133 12.554 -7.292 -7.092 1.00 0.00 C ATOM 2048 O LEU A 133 13.146 -7.219 -8.160 1.00 0.00 O ATOM 2049 CB LEU A 133 10.116 -6.807 -7.205 1.00 0.00 C ATOM 2050 CG LEU A 133 9.116 -7.049 -8.336 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.252 -8.267 -8.047 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.256 -5.815 -8.550 1.00 0.00 C ATOM 0 H LEU A 133 10.213 -8.200 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 133 11.065 -8.647 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.563 -6.688 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.631 -5.865 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 133 9.673 -7.246 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.549 -8.417 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 133 8.886 -9.148 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 133 7.700 -8.110 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.548 -6.000 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.710 -5.589 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.892 -4.969 -8.812 1.00 0.00 H new ATOM 2064 N ARG A 134 13.074 -6.858 -5.954 1.00 0.00 N ATOM 2065 CA ARG A 134 14.365 -6.184 -5.923 1.00 0.00 C ATOM 2066 C ARG A 134 15.500 -7.163 -5.640 1.00 0.00 C ATOM 2067 O ARG A 134 16.666 -6.864 -5.896 1.00 0.00 O ATOM 2068 CB ARG A 134 14.341 -5.068 -4.875 1.00 0.00 C ATOM 2069 CG ARG A 134 13.225 -4.062 -5.111 1.00 0.00 C ATOM 2070 CD ARG A 134 13.060 -3.104 -3.945 1.00 0.00 C ATOM 2071 NE ARG A 134 14.197 -2.201 -3.793 1.00 0.00 N ATOM 2072 CZ ARG A 134 14.097 -0.876 -3.833 1.00 0.00 C ATOM 2073 NH1 ARG A 134 12.935 -0.306 -4.123 1.00 0.00 N ATOM 2074 NH2 ARG A 134 15.163 -0.124 -3.604 1.00 0.00 N ATOM 0 H ARG A 134 12.625 -6.959 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 134 14.548 -5.749 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.224 -5.508 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.299 -4.549 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.435 -3.495 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.288 -4.594 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.152 -2.518 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 134 12.930 -3.676 -3.026 1.00 0.00 H new ATOM 0 HE ARG A 134 15.120 -2.610 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 134 12.117 -0.884 -4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 134 12.859 0.711 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 134 16.061 -0.562 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 134 15.086 0.893 -3.635 1.00 0.00 H new ATOM 2088 N ALA A 135 15.161 -8.337 -5.125 1.00 0.00 N ATOM 2089 CA ALA A 135 16.165 -9.355 -4.849 1.00 0.00 C ATOM 2090 C ALA A 135 16.350 -10.260 -6.058 1.00 0.00 C ATOM 2091 O ALA A 135 17.466 -10.653 -6.391 1.00 0.00 O ATOM 2092 CB ALA A 135 15.778 -10.175 -3.628 1.00 0.00 C ATOM 0 H ALA A 135 14.205 -8.607 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 135 17.111 -8.855 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.542 -10.930 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.694 -9.519 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.821 -10.664 -3.807 1.00 0.00 H new ATOM 2098 N ALA A 136 15.247 -10.576 -6.719 1.00 0.00 N ATOM 2099 CA ALA A 136 15.281 -11.423 -7.898 1.00 0.00 C ATOM 2100 C ALA A 136 15.434 -10.576 -9.153 1.00 0.00 C ATOM 2101 O ALA A 136 16.202 -10.923 -10.051 1.00 0.00 O ATOM 2102 CB ALA A 136 14.021 -12.277 -7.977 1.00 0.00 C ATOM 0 H ALA A 136 14.315 -10.256 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 136 16.141 -12.088 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.063 -12.906 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 136 13.952 -12.907 -7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.146 -11.630 -8.031 1.00 0.00 H new