USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.571 (180deg=-0.425!) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0585) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.182 X(o=-0.18,f=-0.58) USER MOD Single : A 13 TYR OH : rot 5:sc= 0.0807 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 15 HIS : no HE2:sc= -0.376 K(o=-0.38,f=-1.7) USER MOD Single : A 16 GLN : amide:sc= 0.103 K(o=0.1,f=-5.5!) USER MOD Single : A 18 THR OG1 : rot -73:sc= 0.941 USER MOD Single : A 23 ASN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 27 THR OG1 : rot -55:sc= 0.33 USER MOD Single : A 28 ASN : amide:sc= 0.0847 K(o=0.085,f=-2) USER MOD Single : A 33 SER OG : rot -100:sc= 0.515 USER MOD Single : A 34 CYS SG : rot -173:sc= -6.01! USER MOD Single : A 36 THR OG1 : rot -162:sc= -0.43 USER MOD Single : A 40 MET CE :methyl -164:sc= -0.642 (180deg=-0.963) USER MOD Single : A 42 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.055) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc=5.44e-05 (180deg=-0.245) USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00816 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -1.59 (180deg=-2.28!) USER MOD Single : A 56 ASN : amide:sc= -0.575 K(o=-0.58,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -0.0399 (180deg=-0.248) USER MOD Single : A 63 HIS : no HE2:sc= -0.352 X(o=-0.35,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.462 0.070 -7.017 1.00 0.00 N ATOM 2 CA MET A 1 4.239 1.339 -7.047 1.00 0.00 C ATOM 3 C MET A 1 3.549 2.433 -6.189 1.00 0.00 C ATOM 4 O MET A 1 3.577 3.631 -6.530 1.00 0.00 O ATOM 5 CB MET A 1 4.459 1.793 -8.527 1.00 0.00 C ATOM 6 CG MET A 1 3.176 2.028 -9.353 1.00 0.00 C ATOM 7 SD MET A 1 2.204 0.517 -9.594 1.00 0.00 S ATOM 8 CE MET A 1 0.837 1.103 -10.599 1.00 0.00 C ATOM 0 H1 MET A 1 4.029 -0.674 -6.563 1.00 0.00 H new ATOM 0 H2 MET A 1 2.584 0.213 -6.478 1.00 0.00 H new ATOM 0 H3 MET A 1 3.229 -0.217 -7.989 1.00 0.00 H new ATOM 0 HA MET A 1 5.220 1.170 -6.603 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.040 2.715 -8.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.062 1.039 -9.033 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.559 2.774 -8.852 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.447 2.439 -10.326 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.165 0.273 -10.818 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.293 1.877 -10.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.222 1.515 -11.532 1.00 0.00 H new ATOM 18 N LYS A 2 2.971 2.008 -5.036 1.00 0.00 N ATOM 19 CA LYS A 2 2.365 2.923 -4.048 1.00 0.00 C ATOM 20 C LYS A 2 3.469 3.732 -3.332 1.00 0.00 C ATOM 21 O LYS A 2 4.047 3.282 -2.333 1.00 0.00 O ATOM 22 CB LYS A 2 1.490 2.146 -3.019 1.00 0.00 C ATOM 23 CG LYS A 2 0.255 1.451 -3.633 1.00 0.00 C ATOM 24 CD LYS A 2 -0.686 0.846 -2.563 1.00 0.00 C ATOM 25 CE LYS A 2 -1.263 1.903 -1.594 1.00 0.00 C ATOM 26 NZ LYS A 2 -2.016 2.962 -2.310 1.00 0.00 N ATOM 0 H LYS A 2 2.915 1.025 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 2 1.709 3.615 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.108 1.395 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.156 2.839 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.301 2.171 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.586 0.661 -4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.508 0.331 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.140 0.096 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.920 1.415 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.450 2.357 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.471 3.592 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.362 3.512 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.744 2.525 -2.911 1.00 0.00 H new ATOM 40 N ARG A 3 3.772 4.904 -3.888 1.00 0.00 N ATOM 41 CA ARG A 3 4.835 5.790 -3.395 1.00 0.00 C ATOM 42 C ARG A 3 4.424 7.242 -3.669 1.00 0.00 C ATOM 43 O ARG A 3 4.040 7.568 -4.799 1.00 0.00 O ATOM 44 CB ARG A 3 6.182 5.442 -4.104 1.00 0.00 C ATOM 45 CG ARG A 3 7.370 6.375 -3.763 1.00 0.00 C ATOM 46 CD ARG A 3 8.664 6.010 -4.517 1.00 0.00 C ATOM 47 NE ARG A 3 9.159 4.666 -4.161 1.00 0.00 N ATOM 48 CZ ARG A 3 10.446 4.287 -4.162 1.00 0.00 C ATOM 49 NH1 ARG A 3 11.409 5.141 -4.467 1.00 0.00 N ATOM 50 NH2 ARG A 3 10.759 3.046 -3.834 1.00 0.00 N ATOM 0 H ARG A 3 3.283 5.273 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 3 4.978 5.656 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.457 4.420 -3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.022 5.464 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.096 7.403 -4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.559 6.335 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.481 6.055 -5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.433 6.749 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 3 8.466 3.968 -3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.178 6.105 -4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.382 4.835 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.025 2.384 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.735 2.750 -3.832 1.00 0.00 H new ATOM 64 N ALA A 4 4.502 8.097 -2.630 1.00 0.00 N ATOM 65 CA ALA A 4 4.165 9.530 -2.728 1.00 0.00 C ATOM 66 C ALA A 4 5.116 10.258 -3.692 1.00 0.00 C ATOM 67 O ALA A 4 4.673 11.059 -4.515 1.00 0.00 O ATOM 68 CB ALA A 4 4.183 10.182 -1.339 1.00 0.00 C ATOM 0 H ALA A 4 4.801 7.812 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 4 3.157 9.616 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.932 11.239 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.453 9.690 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.177 10.081 -0.903 1.00 0.00 H new ATOM 74 N ALA A 5 6.421 9.934 -3.594 1.00 0.00 N ATOM 75 CA ALA A 5 7.470 10.514 -4.461 1.00 0.00 C ATOM 76 C ALA A 5 7.251 10.140 -5.940 1.00 0.00 C ATOM 77 O ALA A 5 7.539 10.947 -6.822 1.00 0.00 O ATOM 78 CB ALA A 5 8.865 10.066 -3.991 1.00 0.00 C ATOM 0 H ALA A 5 6.778 9.264 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 5 7.405 11.599 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.625 10.502 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.028 10.400 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.932 8.979 -4.034 1.00 0.00 H new ATOM 84 N ALA A 6 6.710 8.924 -6.182 1.00 0.00 N ATOM 85 CA ALA A 6 6.431 8.406 -7.539 1.00 0.00 C ATOM 86 C ALA A 6 5.207 9.103 -8.150 1.00 0.00 C ATOM 87 O ALA A 6 5.250 9.532 -9.302 1.00 0.00 O ATOM 88 CB ALA A 6 6.218 6.885 -7.510 1.00 0.00 C ATOM 0 H ALA A 6 6.454 8.274 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 6 7.298 8.622 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.014 6.527 -8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.115 6.399 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.373 6.648 -6.864 1.00 0.00 H new ATOM 94 N LYS A 7 4.127 9.210 -7.346 1.00 0.00 N ATOM 95 CA LYS A 7 2.875 9.893 -7.740 1.00 0.00 C ATOM 96 C LYS A 7 3.145 11.369 -8.086 1.00 0.00 C ATOM 97 O LYS A 7 2.678 11.873 -9.112 1.00 0.00 O ATOM 98 CB LYS A 7 1.829 9.776 -6.589 1.00 0.00 C ATOM 99 CG LYS A 7 0.531 10.619 -6.756 1.00 0.00 C ATOM 100 CD LYS A 7 -0.231 10.315 -8.072 1.00 0.00 C ATOM 101 CE LYS A 7 -1.451 11.231 -8.272 1.00 0.00 C ATOM 102 NZ LYS A 7 -2.096 11.013 -9.593 1.00 0.00 N ATOM 0 H LYS A 7 4.099 8.824 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 7 2.474 9.411 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.547 8.728 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.311 10.069 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.129 10.429 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.787 11.678 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.448 10.431 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.558 9.275 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.176 11.048 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.141 12.273 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.914 11.649 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.412 11.212 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.415 10.026 -9.665 1.00 0.00 H new ATOM 116 N HIS A 8 3.919 12.032 -7.213 1.00 0.00 N ATOM 117 CA HIS A 8 4.292 13.445 -7.374 1.00 0.00 C ATOM 118 C HIS A 8 5.318 13.632 -8.506 1.00 0.00 C ATOM 119 O HIS A 8 5.383 14.710 -9.074 1.00 0.00 O ATOM 120 CB HIS A 8 4.782 14.061 -6.033 1.00 0.00 C ATOM 121 CG HIS A 8 3.653 14.375 -5.070 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.107 15.633 -4.942 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.955 13.589 -4.210 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.138 15.605 -4.056 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.026 14.380 -3.598 1.00 0.00 N ATOM 0 H HIS A 8 4.305 11.601 -6.373 1.00 0.00 H new ATOM 0 HA HIS A 8 3.395 13.991 -7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.476 13.369 -5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.337 14.976 -6.242 1.00 0.00 H new ATOM 0 HD1 HIS A 8 3.409 16.460 -5.457 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.107 12.533 -4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.534 16.448 -3.755 1.00 0.00 H new ATOM 134 N LEU A 9 6.087 12.576 -8.846 1.00 0.00 N ATOM 135 CA LEU A 9 7.041 12.599 -9.986 1.00 0.00 C ATOM 136 C LEU A 9 6.256 12.628 -11.320 1.00 0.00 C ATOM 137 O LEU A 9 6.552 13.430 -12.216 1.00 0.00 O ATOM 138 CB LEU A 9 8.010 11.366 -9.918 1.00 0.00 C ATOM 139 CG LEU A 9 9.539 11.661 -10.051 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.894 12.214 -11.443 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.015 12.611 -8.929 1.00 0.00 C ATOM 0 H LEU A 9 6.068 11.688 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 9 7.653 13.499 -9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.844 10.856 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.729 10.669 -10.708 1.00 0.00 H new ATOM 0 HG LEU A 9 10.069 10.715 -9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.966 12.406 -11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.618 11.485 -12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.350 13.143 -11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.082 12.802 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.469 13.552 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.830 12.150 -7.959 1.00 0.00 H new ATOM 153 N ILE A 10 5.244 11.743 -11.408 1.00 0.00 N ATOM 154 CA ILE A 10 4.301 11.675 -12.548 1.00 0.00 C ATOM 155 C ILE A 10 3.516 12.999 -12.663 1.00 0.00 C ATOM 156 O ILE A 10 3.205 13.455 -13.766 1.00 0.00 O ATOM 157 CB ILE A 10 3.294 10.472 -12.359 1.00 0.00 C ATOM 158 CG1 ILE A 10 4.063 9.113 -12.263 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.230 10.418 -13.490 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.229 7.920 -11.815 1.00 0.00 C ATOM 0 H ILE A 10 5.054 11.048 -10.686 1.00 0.00 H new ATOM 0 HA ILE A 10 4.872 11.515 -13.462 1.00 0.00 H new ATOM 0 HB ILE A 10 2.764 10.642 -11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.492 8.888 -13.239 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.895 9.234 -11.569 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.560 9.576 -13.319 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.655 11.344 -13.494 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.728 10.296 -14.452 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.856 7.029 -11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.821 8.113 -10.823 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.412 7.762 -12.519 1.00 0.00 H new ATOM 172 N GLU A 11 3.201 13.580 -11.492 1.00 0.00 N ATOM 173 CA GLU A 11 2.520 14.882 -11.353 1.00 0.00 C ATOM 174 C GLU A 11 3.352 16.016 -11.980 1.00 0.00 C ATOM 175 O GLU A 11 2.787 16.940 -12.551 1.00 0.00 O ATOM 176 CB GLU A 11 2.260 15.149 -9.850 1.00 0.00 C ATOM 177 CG GLU A 11 1.626 16.505 -9.479 1.00 0.00 C ATOM 178 CD GLU A 11 1.625 16.737 -7.958 1.00 0.00 C ATOM 179 OE1 GLU A 11 2.678 17.132 -7.410 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.597 16.472 -7.296 1.00 0.00 O ATOM 0 H GLU A 11 3.418 13.148 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 11 1.570 14.852 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.612 14.358 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.209 15.063 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.175 17.309 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.603 16.543 -9.853 1.00 0.00 H new ATOM 187 N ARG A 12 4.693 15.917 -11.867 1.00 0.00 N ATOM 188 CA ARG A 12 5.625 16.914 -12.449 1.00 0.00 C ATOM 189 C ARG A 12 5.672 16.814 -13.975 1.00 0.00 C ATOM 190 O ARG A 12 5.731 17.838 -14.651 1.00 0.00 O ATOM 191 CB ARG A 12 7.045 16.756 -11.848 1.00 0.00 C ATOM 192 CG ARG A 12 7.064 16.938 -10.326 1.00 0.00 C ATOM 193 CD ARG A 12 8.454 16.786 -9.695 1.00 0.00 C ATOM 194 NE ARG A 12 8.356 16.821 -8.223 1.00 0.00 N ATOM 195 CZ ARG A 12 9.223 16.269 -7.374 1.00 0.00 C ATOM 196 NH1 ARG A 12 10.352 15.728 -7.808 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.979 16.290 -6.074 1.00 0.00 N ATOM 0 H ARG A 12 5.159 15.154 -11.376 1.00 0.00 H new ATOM 0 HA ARG A 12 5.249 17.904 -12.192 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.433 15.768 -12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.713 17.486 -12.306 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.673 17.926 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.390 16.209 -9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.905 15.846 -10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.108 17.586 -10.042 1.00 0.00 H new ATOM 0 HE ARG A 12 7.556 17.310 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.568 15.730 -8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.005 15.310 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.128 16.728 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.642 15.868 -5.424 1.00 0.00 H new ATOM 211 N TYR A 13 5.646 15.570 -14.496 1.00 0.00 N ATOM 212 CA TYR A 13 5.590 15.317 -15.951 1.00 0.00 C ATOM 213 C TYR A 13 4.233 15.762 -16.544 1.00 0.00 C ATOM 214 O TYR A 13 4.183 16.308 -17.647 1.00 0.00 O ATOM 215 CB TYR A 13 5.849 13.818 -16.264 1.00 0.00 C ATOM 216 CG TYR A 13 7.310 13.368 -16.115 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.280 13.766 -17.048 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.726 12.537 -15.069 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.592 13.352 -16.938 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.037 12.126 -14.966 1.00 0.00 C ATOM 221 CZ TYR A 13 9.963 12.535 -15.899 1.00 0.00 C ATOM 222 OH TYR A 13 11.264 12.117 -15.791 1.00 0.00 O ATOM 0 H TYR A 13 5.663 14.722 -13.929 1.00 0.00 H new ATOM 0 HA TYR A 13 6.377 15.909 -16.418 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.229 13.212 -15.604 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.524 13.614 -17.284 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.994 14.409 -17.868 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.008 12.213 -14.330 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.324 13.669 -17.666 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.338 11.482 -14.153 1.00 0.00 H new ATOM 0 HH TYR A 13 11.806 12.551 -16.483 1.00 0.00 H new ATOM 232 N TYR A 14 3.147 15.533 -15.784 1.00 0.00 N ATOM 233 CA TYR A 14 1.779 15.902 -16.192 1.00 0.00 C ATOM 234 C TYR A 14 1.634 17.427 -16.214 1.00 0.00 C ATOM 235 O TYR A 14 1.141 17.995 -17.188 1.00 0.00 O ATOM 236 CB TYR A 14 0.732 15.267 -15.231 1.00 0.00 C ATOM 237 CG TYR A 14 -0.722 15.582 -15.617 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.330 14.937 -16.693 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.492 16.525 -14.914 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.626 15.222 -17.061 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.792 16.806 -15.284 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.356 16.150 -16.353 1.00 0.00 C ATOM 243 OH TYR A 14 -4.649 16.424 -16.729 1.00 0.00 O ATOM 0 H TYR A 14 3.193 15.086 -14.868 1.00 0.00 H new ATOM 0 HA TYR A 14 1.596 15.517 -17.195 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.870 14.186 -15.218 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.916 15.624 -14.218 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.773 14.198 -17.250 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.059 17.039 -14.069 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.070 14.717 -17.906 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.365 17.539 -14.735 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.028 17.100 -16.129 1.00 0.00 H new ATOM 253 N HIS A 15 2.101 18.063 -15.122 1.00 0.00 N ATOM 254 CA HIS A 15 2.101 19.529 -14.951 1.00 0.00 C ATOM 255 C HIS A 15 2.951 20.190 -16.040 1.00 0.00 C ATOM 256 O HIS A 15 2.634 21.277 -16.505 1.00 0.00 O ATOM 257 CB HIS A 15 2.651 19.903 -13.545 1.00 0.00 C ATOM 258 CG HIS A 15 2.629 21.381 -13.217 1.00 0.00 C ATOM 259 ND1 HIS A 15 3.515 22.286 -13.757 1.00 0.00 N ATOM 260 CD2 HIS A 15 1.819 22.111 -12.406 1.00 0.00 C ATOM 261 CE1 HIS A 15 3.254 23.489 -13.306 1.00 0.00 C ATOM 262 NE2 HIS A 15 2.232 23.412 -12.482 1.00 0.00 N ATOM 0 H HIS A 15 2.494 17.566 -14.323 1.00 0.00 H new ATOM 0 HA HIS A 15 1.077 19.891 -15.038 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.070 19.371 -12.792 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.678 19.545 -13.467 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.263 22.055 -14.411 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.000 21.733 -11.811 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.788 24.391 -13.567 1.00 0.00 H new ATOM 271 N GLN A 16 4.038 19.504 -16.417 1.00 0.00 N ATOM 272 CA GLN A 16 4.962 19.943 -17.471 1.00 0.00 C ATOM 273 C GLN A 16 4.245 20.073 -18.827 1.00 0.00 C ATOM 274 O GLN A 16 4.421 21.070 -19.533 1.00 0.00 O ATOM 275 CB GLN A 16 6.130 18.926 -17.548 1.00 0.00 C ATOM 276 CG GLN A 16 7.174 19.170 -18.645 1.00 0.00 C ATOM 277 CD GLN A 16 8.383 18.236 -18.522 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.375 18.578 -17.894 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.301 17.048 -19.103 1.00 0.00 N ATOM 0 H GLN A 16 4.304 18.616 -15.992 1.00 0.00 H new ATOM 0 HA GLN A 16 5.350 20.932 -17.229 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.641 18.919 -16.585 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.708 17.931 -17.693 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.710 19.032 -19.621 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.512 20.205 -18.597 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.461 16.790 -19.620 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.078 16.391 -19.033 1.00 0.00 H new ATOM 288 N LEU A 17 3.423 19.065 -19.156 1.00 0.00 N ATOM 289 CA LEU A 17 2.722 18.987 -20.459 1.00 0.00 C ATOM 290 C LEU A 17 1.458 19.891 -20.508 1.00 0.00 C ATOM 291 O LEU A 17 1.222 20.577 -21.507 1.00 0.00 O ATOM 292 CB LEU A 17 2.352 17.512 -20.750 1.00 0.00 C ATOM 293 CG LEU A 17 3.549 16.500 -20.755 1.00 0.00 C ATOM 294 CD1 LEU A 17 3.061 15.042 -20.870 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.586 16.825 -21.863 1.00 0.00 C ATOM 0 H LEU A 17 3.222 18.282 -18.534 1.00 0.00 H new ATOM 0 HA LEU A 17 3.398 19.359 -21.229 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.627 17.185 -20.005 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.856 17.465 -21.720 1.00 0.00 H new ATOM 0 HG LEU A 17 4.053 16.611 -19.795 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.919 14.370 -20.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.416 14.806 -20.024 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.502 14.917 -21.798 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.397 16.097 -21.827 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.102 16.781 -22.839 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.989 17.825 -21.702 1.00 0.00 H new ATOM 307 N THR A 18 0.651 19.878 -19.435 1.00 0.00 N ATOM 308 CA THR A 18 -0.641 20.601 -19.388 1.00 0.00 C ATOM 309 C THR A 18 -0.450 22.074 -18.984 1.00 0.00 C ATOM 310 O THR A 18 -0.787 22.991 -19.748 1.00 0.00 O ATOM 311 CB THR A 18 -1.645 19.911 -18.401 1.00 0.00 C ATOM 312 OG1 THR A 18 -1.044 19.751 -17.103 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.097 18.540 -18.920 1.00 0.00 C ATOM 0 H THR A 18 0.869 19.371 -18.577 1.00 0.00 H new ATOM 0 HA THR A 18 -1.058 20.567 -20.395 1.00 0.00 H new ATOM 0 HB THR A 18 -2.519 20.558 -18.325 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.372 19.039 -17.139 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.792 18.093 -18.209 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.591 18.661 -19.884 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.229 17.891 -19.036 1.00 0.00 H new ATOM 321 N GLU A 19 0.109 22.288 -17.783 1.00 0.00 N ATOM 322 CA GLU A 19 0.220 23.624 -17.166 1.00 0.00 C ATOM 323 C GLU A 19 1.402 24.406 -17.762 1.00 0.00 C ATOM 324 O GLU A 19 1.294 25.614 -18.029 1.00 0.00 O ATOM 325 CB GLU A 19 0.382 23.479 -15.629 1.00 0.00 C ATOM 326 CG GLU A 19 -0.697 22.609 -14.944 1.00 0.00 C ATOM 327 CD GLU A 19 -2.121 23.178 -15.071 1.00 0.00 C ATOM 328 OE1 GLU A 19 -2.537 23.980 -14.204 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.839 22.822 -16.032 1.00 0.00 O ATOM 0 H GLU A 19 0.498 21.540 -17.209 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.691 24.184 -17.377 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.362 23.050 -15.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.367 24.472 -15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.674 21.609 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.450 22.504 -13.888 1.00 0.00 H new ATOM 336 N GLY A 20 2.525 23.702 -17.950 1.00 0.00 N ATOM 337 CA GLY A 20 3.766 24.287 -18.434 1.00 0.00 C ATOM 338 C GLY A 20 4.669 24.741 -17.306 1.00 0.00 C ATOM 339 O GLY A 20 4.607 24.206 -16.189 1.00 0.00 O ATOM 0 H GLY A 20 2.591 22.701 -17.766 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.294 23.556 -19.047 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.537 25.137 -19.077 1.00 0.00 H new ATOM 343 N CYS A 21 5.515 25.728 -17.607 1.00 0.00 N ATOM 344 CA CYS A 21 6.405 26.377 -16.623 1.00 0.00 C ATOM 345 C CYS A 21 6.350 27.915 -16.722 1.00 0.00 C ATOM 346 O CYS A 21 7.089 28.601 -16.023 1.00 0.00 O ATOM 347 CB CYS A 21 7.842 25.877 -16.845 1.00 0.00 C ATOM 348 SG CYS A 21 8.414 26.101 -18.555 1.00 0.00 S ATOM 0 H CYS A 21 5.608 26.108 -18.549 1.00 0.00 H new ATOM 0 HA CYS A 21 6.066 26.111 -15.622 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.514 26.407 -16.170 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.898 24.820 -16.584 1.00 0.00 H new ATOM 353 N GLY A 22 5.490 28.452 -17.610 1.00 0.00 N ATOM 354 CA GLY A 22 5.303 29.905 -17.761 1.00 0.00 C ATOM 355 C GLY A 22 6.381 30.608 -18.604 1.00 0.00 C ATOM 356 O GLY A 22 6.070 31.574 -19.306 1.00 0.00 O ATOM 0 H GLY A 22 4.911 27.894 -18.237 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.329 30.087 -18.216 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.282 30.360 -16.771 1.00 0.00 H new ATOM 360 N ASN A 23 7.643 30.130 -18.514 1.00 0.00 N ATOM 361 CA ASN A 23 8.825 30.758 -19.149 1.00 0.00 C ATOM 362 C ASN A 23 8.685 30.851 -20.686 1.00 0.00 C ATOM 363 O ASN A 23 8.248 29.889 -21.322 1.00 0.00 O ATOM 364 CB ASN A 23 10.113 29.976 -18.775 1.00 0.00 C ATOM 365 CG ASN A 23 11.407 30.623 -19.305 1.00 0.00 C ATOM 366 OD1 ASN A 23 12.008 31.473 -18.645 1.00 0.00 O ATOM 367 ND2 ASN A 23 11.835 30.235 -20.499 1.00 0.00 N ATOM 0 H ASN A 23 7.873 29.285 -17.991 1.00 0.00 H new ATOM 0 HA ASN A 23 8.894 31.777 -18.768 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.176 29.895 -17.690 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.038 28.961 -19.166 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.683 30.642 -20.894 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.317 29.529 -21.022 1.00 0.00 H new ATOM 374 N GLU A 24 9.097 32.013 -21.248 1.00 0.00 N ATOM 375 CA GLU A 24 9.011 32.329 -22.689 1.00 0.00 C ATOM 376 C GLU A 24 9.776 31.287 -23.552 1.00 0.00 C ATOM 377 O GLU A 24 9.152 30.419 -24.177 1.00 0.00 O ATOM 378 CB GLU A 24 9.572 33.765 -22.924 1.00 0.00 C ATOM 379 CG GLU A 24 9.497 34.294 -24.377 1.00 0.00 C ATOM 380 CD GLU A 24 8.078 34.700 -24.803 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.688 35.861 -24.547 1.00 0.00 O ATOM 382 OE2 GLU A 24 7.337 33.871 -25.375 1.00 0.00 O ATOM 0 H GLU A 24 9.506 32.769 -20.699 1.00 0.00 H new ATOM 0 HA GLU A 24 7.967 32.287 -22.998 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.029 34.456 -22.279 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.614 33.783 -22.605 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.159 35.154 -24.478 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.867 33.525 -25.056 1.00 0.00 H new ATOM 389 N ALA A 25 11.126 31.354 -23.554 1.00 0.00 N ATOM 390 CA ALA A 25 11.969 30.446 -24.361 1.00 0.00 C ATOM 391 C ALA A 25 12.446 29.269 -23.500 1.00 0.00 C ATOM 392 O ALA A 25 13.569 29.273 -22.970 1.00 0.00 O ATOM 393 CB ALA A 25 13.142 31.218 -24.986 1.00 0.00 C ATOM 0 H ALA A 25 11.656 32.030 -23.004 1.00 0.00 H new ATOM 0 HA ALA A 25 11.379 30.037 -25.181 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.753 30.536 -25.577 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.756 32.009 -25.629 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.750 31.658 -24.196 1.00 0.00 H new ATOM 399 N CYS A 26 11.546 28.302 -23.298 1.00 0.00 N ATOM 400 CA CYS A 26 11.833 27.077 -22.535 1.00 0.00 C ATOM 401 C CYS A 26 12.553 26.027 -23.413 1.00 0.00 C ATOM 402 O CYS A 26 12.056 25.670 -24.487 1.00 0.00 O ATOM 403 CB CYS A 26 10.538 26.486 -21.948 1.00 0.00 C ATOM 404 SG CYS A 26 10.778 24.816 -21.275 1.00 0.00 S ATOM 0 H CYS A 26 10.593 28.344 -23.659 1.00 0.00 H new ATOM 0 HA CYS A 26 12.498 27.345 -21.714 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.168 27.142 -21.160 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.772 26.455 -22.723 1.00 0.00 H new ATOM 409 N THR A 27 13.705 25.518 -22.926 1.00 0.00 N ATOM 410 CA THR A 27 14.614 24.644 -23.706 1.00 0.00 C ATOM 411 C THR A 27 14.302 23.127 -23.494 1.00 0.00 C ATOM 412 O THR A 27 15.168 22.335 -23.107 1.00 0.00 O ATOM 413 CB THR A 27 16.117 25.004 -23.376 1.00 0.00 C ATOM 414 OG1 THR A 27 17.018 24.164 -24.115 1.00 0.00 O ATOM 415 CG2 THR A 27 16.443 24.921 -21.871 1.00 0.00 C ATOM 0 H THR A 27 14.034 25.701 -21.978 1.00 0.00 H new ATOM 0 HA THR A 27 14.445 24.831 -24.767 1.00 0.00 H new ATOM 0 HB THR A 27 16.252 26.042 -23.679 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.803 23.223 -23.944 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.490 25.179 -21.711 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.809 25.618 -21.322 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.261 23.907 -21.515 1.00 0.00 H new ATOM 423 N ASN A 28 13.044 22.727 -23.768 1.00 0.00 N ATOM 424 CA ASN A 28 12.618 21.309 -23.730 1.00 0.00 C ATOM 425 C ASN A 28 11.389 21.111 -24.629 1.00 0.00 C ATOM 426 O ASN A 28 10.349 21.728 -24.402 1.00 0.00 O ATOM 427 CB ASN A 28 12.311 20.834 -22.281 1.00 0.00 C ATOM 428 CG ASN A 28 11.800 19.383 -22.178 1.00 0.00 C ATOM 429 OD1 ASN A 28 12.055 18.541 -23.044 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.110 19.070 -21.093 1.00 0.00 N ATOM 0 H ASN A 28 12.296 23.373 -24.021 1.00 0.00 H new ATOM 0 HA ASN A 28 13.443 20.701 -24.102 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.216 20.930 -21.681 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.567 21.500 -21.844 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.776 18.116 -20.958 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.912 19.783 -20.391 1.00 0.00 H new ATOM 437 N GLU A 29 11.538 20.236 -25.637 1.00 0.00 N ATOM 438 CA GLU A 29 10.461 19.867 -26.576 1.00 0.00 C ATOM 439 C GLU A 29 9.235 19.263 -25.846 1.00 0.00 C ATOM 440 O GLU A 29 8.087 19.553 -26.208 1.00 0.00 O ATOM 441 CB GLU A 29 11.035 18.883 -27.625 1.00 0.00 C ATOM 442 CG GLU A 29 11.726 17.635 -27.020 1.00 0.00 C ATOM 443 CD GLU A 29 12.426 16.753 -28.058 1.00 0.00 C ATOM 444 OE1 GLU A 29 11.736 15.984 -28.762 1.00 0.00 O ATOM 445 OE2 GLU A 29 13.671 16.821 -28.179 1.00 0.00 O ATOM 0 H GLU A 29 12.419 19.758 -25.827 1.00 0.00 H new ATOM 0 HA GLU A 29 10.102 20.767 -27.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.227 18.555 -28.278 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.753 19.414 -28.249 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.457 17.959 -26.280 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.981 17.039 -26.493 1.00 0.00 H new ATOM 452 N PHE A 30 9.501 18.447 -24.802 1.00 0.00 N ATOM 453 CA PHE A 30 8.457 17.806 -23.971 1.00 0.00 C ATOM 454 C PHE A 30 8.070 18.726 -22.800 1.00 0.00 C ATOM 455 O PHE A 30 8.275 18.378 -21.636 1.00 0.00 O ATOM 456 CB PHE A 30 8.949 16.426 -23.437 1.00 0.00 C ATOM 457 CG PHE A 30 9.269 15.419 -24.532 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.245 14.853 -25.301 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.582 15.028 -24.802 1.00 0.00 C ATOM 460 CE1 PHE A 30 8.528 13.941 -26.297 1.00 0.00 C ATOM 461 CE2 PHE A 30 10.860 14.117 -25.798 1.00 0.00 C ATOM 462 CZ PHE A 30 9.834 13.571 -26.546 1.00 0.00 C ATOM 0 H PHE A 30 10.450 18.213 -24.511 1.00 0.00 H new ATOM 0 HA PHE A 30 7.577 17.639 -24.592 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.839 16.580 -22.827 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.184 16.007 -22.784 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.219 15.134 -25.112 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.392 15.446 -24.222 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.726 13.516 -26.883 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.882 13.829 -25.995 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.054 12.856 -27.325 1.00 0.00 H new ATOM 472 N CYS A 31 7.536 19.914 -23.117 1.00 0.00 N ATOM 473 CA CYS A 31 7.132 20.893 -22.097 1.00 0.00 C ATOM 474 C CYS A 31 6.250 21.973 -22.708 1.00 0.00 C ATOM 475 O CYS A 31 6.601 22.522 -23.745 1.00 0.00 O ATOM 476 CB CYS A 31 8.367 21.586 -21.464 1.00 0.00 C ATOM 477 SG CYS A 31 7.956 22.610 -20.011 1.00 0.00 S ATOM 0 H CYS A 31 7.373 20.221 -24.076 1.00 0.00 H new ATOM 0 HA CYS A 31 6.583 20.346 -21.330 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.091 20.826 -21.171 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.849 22.211 -22.216 1.00 0.00 H new ATOM 482 N ALA A 32 5.120 22.286 -22.062 1.00 0.00 N ATOM 483 CA ALA A 32 4.324 23.473 -22.392 1.00 0.00 C ATOM 484 C ALA A 32 5.082 24.730 -21.929 1.00 0.00 C ATOM 485 O ALA A 32 5.970 24.625 -21.061 1.00 0.00 O ATOM 486 CB ALA A 32 2.928 23.369 -21.768 1.00 0.00 C ATOM 0 H ALA A 32 4.734 21.727 -21.301 1.00 0.00 H new ATOM 0 HA ALA A 32 4.180 23.543 -23.470 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.349 24.257 -22.022 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.422 22.484 -22.153 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.019 23.292 -20.684 1.00 0.00 H new ATOM 492 N SER A 33 4.718 25.889 -22.521 1.00 0.00 N ATOM 493 CA SER A 33 5.528 27.132 -22.507 1.00 0.00 C ATOM 494 C SER A 33 6.724 27.022 -23.483 1.00 0.00 C ATOM 495 O SER A 33 7.623 27.874 -23.488 1.00 0.00 O ATOM 496 CB SER A 33 5.979 27.551 -21.078 1.00 0.00 C ATOM 497 OG SER A 33 4.881 27.562 -20.183 1.00 0.00 O ATOM 0 H SER A 33 3.840 25.991 -23.030 1.00 0.00 H new ATOM 0 HA SER A 33 4.879 27.935 -22.856 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.741 26.861 -20.716 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.435 28.540 -21.112 1.00 0.00 H new ATOM 0 HG SER A 33 4.567 28.482 -20.062 1.00 0.00 H new ATOM 503 N CYS A 34 6.718 25.966 -24.325 1.00 0.00 N ATOM 504 CA CYS A 34 7.608 25.835 -25.481 1.00 0.00 C ATOM 505 C CYS A 34 6.747 25.872 -26.754 1.00 0.00 C ATOM 506 O CYS A 34 5.710 25.189 -26.799 1.00 0.00 O ATOM 507 CB CYS A 34 8.384 24.505 -25.406 1.00 0.00 C ATOM 508 SG CYS A 34 9.272 24.283 -23.859 1.00 0.00 S ATOM 0 H CYS A 34 6.084 25.175 -24.213 1.00 0.00 H new ATOM 0 HA CYS A 34 8.331 26.651 -25.492 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.686 23.678 -25.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.093 24.459 -26.233 1.00 0.00 H new ATOM 0 HG CYS A 34 10.009 23.215 -23.931 1.00 0.00 H new ATOM 514 N PRO A 35 7.136 26.667 -27.804 1.00 0.00 N ATOM 515 CA PRO A 35 6.426 26.673 -29.119 1.00 0.00 C ATOM 516 C PRO A 35 6.549 25.318 -29.857 1.00 0.00 C ATOM 517 O PRO A 35 5.750 25.002 -30.747 1.00 0.00 O ATOM 518 CB PRO A 35 7.129 27.823 -29.895 1.00 0.00 C ATOM 519 CG PRO A 35 8.486 27.916 -29.268 1.00 0.00 C ATOM 520 CD PRO A 35 8.274 27.633 -27.798 1.00 0.00 C ATOM 0 HA PRO A 35 5.351 26.823 -29.017 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.197 27.601 -30.960 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.581 28.761 -29.799 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.173 27.195 -29.711 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.921 28.904 -29.418 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.164 27.205 -27.337 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.031 28.539 -27.243 1.00 0.00 H new ATOM 528 N THR A 36 7.568 24.536 -29.461 1.00 0.00 N ATOM 529 CA THR A 36 7.850 23.200 -30.009 1.00 0.00 C ATOM 530 C THR A 36 6.820 22.159 -29.528 1.00 0.00 C ATOM 531 O THR A 36 6.621 21.126 -30.188 1.00 0.00 O ATOM 532 CB THR A 36 9.284 22.751 -29.589 1.00 0.00 C ATOM 533 OG1 THR A 36 9.383 22.728 -28.152 1.00 0.00 O ATOM 534 CG2 THR A 36 10.352 23.698 -30.149 1.00 0.00 C ATOM 0 H THR A 36 8.230 24.820 -28.739 1.00 0.00 H new ATOM 0 HA THR A 36 7.783 23.263 -31.095 1.00 0.00 H new ATOM 0 HB THR A 36 9.456 21.755 -29.996 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.327 22.730 -27.889 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.340 23.357 -29.838 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.297 23.706 -31.238 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.180 24.705 -29.770 1.00 0.00 H new ATOM 542 N PHE A 37 6.186 22.434 -28.371 1.00 0.00 N ATOM 543 CA PHE A 37 5.183 21.536 -27.783 1.00 0.00 C ATOM 544 C PHE A 37 3.834 21.684 -28.511 1.00 0.00 C ATOM 545 O PHE A 37 3.278 22.790 -28.577 1.00 0.00 O ATOM 546 CB PHE A 37 4.999 21.829 -26.274 1.00 0.00 C ATOM 547 CG PHE A 37 3.973 20.929 -25.574 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.276 19.598 -25.289 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.705 21.405 -25.224 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.353 18.778 -24.678 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.784 20.582 -24.615 1.00 0.00 C ATOM 552 CZ PHE A 37 2.105 19.266 -24.343 1.00 0.00 C ATOM 0 H PHE A 37 6.356 23.279 -27.825 1.00 0.00 H new ATOM 0 HA PHE A 37 5.539 20.512 -27.899 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.962 21.718 -25.775 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.695 22.869 -26.153 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.247 19.205 -25.551 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.445 22.432 -25.434 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.606 17.751 -24.460 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.810 20.966 -24.350 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.381 18.620 -23.869 1.00 0.00 H new ATOM 562 N LEU A 38 3.321 20.569 -29.056 1.00 0.00 N ATOM 563 CA LEU A 38 1.952 20.496 -29.577 1.00 0.00 C ATOM 564 C LEU A 38 0.984 20.267 -28.411 1.00 0.00 C ATOM 565 O LEU A 38 1.189 19.341 -27.609 1.00 0.00 O ATOM 566 CB LEU A 38 1.820 19.356 -30.617 1.00 0.00 C ATOM 567 CG LEU A 38 0.386 19.149 -31.216 1.00 0.00 C ATOM 568 CD1 LEU A 38 -0.104 20.407 -31.978 1.00 0.00 C ATOM 569 CD2 LEU A 38 0.327 17.892 -32.114 1.00 0.00 C ATOM 0 H LEU A 38 3.844 19.698 -29.146 1.00 0.00 H new ATOM 0 HA LEU A 38 1.709 21.434 -30.076 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.511 19.554 -31.436 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.137 18.424 -30.150 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.294 18.991 -30.379 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.101 20.224 -32.378 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.137 21.256 -31.295 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.581 20.626 -32.797 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.681 17.777 -32.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.034 17.999 -32.937 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.586 17.012 -31.526 1.00 0.00 H new ATOM 581 N ARG A 39 -0.045 21.122 -28.312 1.00 0.00 N ATOM 582 CA ARG A 39 -1.094 20.989 -27.304 1.00 0.00 C ATOM 583 C ARG A 39 -1.857 19.669 -27.488 1.00 0.00 C ATOM 584 O ARG A 39 -2.605 19.495 -28.452 1.00 0.00 O ATOM 585 CB ARG A 39 -2.055 22.208 -27.341 1.00 0.00 C ATOM 586 CG ARG A 39 -1.469 23.481 -26.688 1.00 0.00 C ATOM 587 CD ARG A 39 -1.191 23.273 -25.182 1.00 0.00 C ATOM 588 NE ARG A 39 -0.564 24.440 -24.553 1.00 0.00 N ATOM 589 CZ ARG A 39 -0.201 24.509 -23.268 1.00 0.00 C ATOM 590 NH1 ARG A 39 -0.405 23.495 -22.436 1.00 0.00 N ATOM 591 NH2 ARG A 39 0.374 25.599 -22.811 1.00 0.00 N ATOM 0 H ARG A 39 -0.168 21.923 -28.931 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.625 20.969 -26.320 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.310 22.427 -28.378 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.983 21.944 -26.833 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.544 23.757 -27.194 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.164 24.310 -26.819 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.128 23.051 -24.672 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.544 22.405 -25.053 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.392 25.258 -25.138 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.847 22.640 -22.773 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.119 23.571 -21.460 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.542 26.388 -23.436 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.653 25.656 -21.831 1.00 0.00 H new ATOM 605 N MET A 40 -1.590 18.735 -26.575 1.00 0.00 N ATOM 606 CA MET A 40 -2.259 17.431 -26.495 1.00 0.00 C ATOM 607 C MET A 40 -3.418 17.501 -25.481 1.00 0.00 C ATOM 608 O MET A 40 -3.543 18.484 -24.727 1.00 0.00 O ATOM 609 CB MET A 40 -1.217 16.355 -26.078 1.00 0.00 C ATOM 610 CG MET A 40 -0.592 16.560 -24.672 1.00 0.00 C ATOM 611 SD MET A 40 1.054 15.818 -24.493 1.00 0.00 S ATOM 612 CE MET A 40 0.795 14.148 -25.082 1.00 0.00 C ATOM 0 H MET A 40 -0.884 18.865 -25.850 1.00 0.00 H new ATOM 0 HA MET A 40 -2.676 17.162 -27.466 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.696 15.376 -26.107 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.416 16.340 -26.817 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.524 17.628 -24.466 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.257 16.133 -23.922 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.627 13.518 -24.766 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.134 13.756 -24.669 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.735 14.151 -26.170 1.00 0.00 H new ATOM 622 N ASP A 41 -4.255 16.455 -25.461 1.00 0.00 N ATOM 623 CA ASP A 41 -5.371 16.327 -24.507 1.00 0.00 C ATOM 624 C ASP A 41 -4.824 16.017 -23.092 1.00 0.00 C ATOM 625 O ASP A 41 -3.667 15.620 -22.958 1.00 0.00 O ATOM 626 CB ASP A 41 -6.347 15.213 -24.991 1.00 0.00 C ATOM 627 CG ASP A 41 -7.610 15.103 -24.119 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.441 16.031 -24.162 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.757 14.128 -23.362 1.00 0.00 O ATOM 0 H ASP A 41 -4.179 15.670 -26.107 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.920 17.267 -24.457 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.639 15.416 -26.021 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.826 14.255 -24.990 1.00 0.00 H new ATOM 634 N ASN A 42 -5.664 16.218 -22.058 1.00 0.00 N ATOM 635 CA ASN A 42 -5.315 15.962 -20.644 1.00 0.00 C ATOM 636 C ASN A 42 -5.067 14.459 -20.396 1.00 0.00 C ATOM 637 O ASN A 42 -4.165 14.098 -19.644 1.00 0.00 O ATOM 638 CB ASN A 42 -6.431 16.508 -19.709 1.00 0.00 C ATOM 639 CG ASN A 42 -7.801 15.850 -19.941 1.00 0.00 C ATOM 640 OD1 ASN A 42 -8.139 14.849 -19.311 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.584 16.391 -20.862 1.00 0.00 N ATOM 0 H ASN A 42 -6.615 16.566 -22.181 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.388 16.488 -20.417 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.133 16.353 -18.672 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.524 17.584 -19.857 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.494 15.977 -21.065 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.277 17.221 -21.369 1.00 0.00 H new ATOM 648 N ASN A 43 -5.868 13.594 -21.056 1.00 0.00 N ATOM 649 CA ASN A 43 -5.697 12.128 -20.998 1.00 0.00 C ATOM 650 C ASN A 43 -4.394 11.730 -21.692 1.00 0.00 C ATOM 651 O ASN A 43 -3.655 10.888 -21.186 1.00 0.00 O ATOM 652 CB ASN A 43 -6.886 11.403 -21.673 1.00 0.00 C ATOM 653 CG ASN A 43 -6.815 9.864 -21.577 1.00 0.00 C ATOM 654 OD1 ASN A 43 -6.279 9.191 -22.453 1.00 0.00 O ATOM 655 ND2 ASN A 43 -7.331 9.300 -20.505 1.00 0.00 N ATOM 0 H ASN A 43 -6.648 13.892 -21.642 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.661 11.831 -19.950 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.814 11.744 -21.214 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.925 11.690 -22.724 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.289 8.287 -20.392 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.772 9.876 -19.788 1.00 0.00 H new ATOM 662 N ALA A 44 -4.149 12.363 -22.854 1.00 0.00 N ATOM 663 CA ALA A 44 -2.932 12.168 -23.658 1.00 0.00 C ATOM 664 C ALA A 44 -1.676 12.561 -22.864 1.00 0.00 C ATOM 665 O ALA A 44 -0.655 11.883 -22.932 1.00 0.00 O ATOM 666 CB ALA A 44 -3.040 12.988 -24.953 1.00 0.00 C ATOM 0 H ALA A 44 -4.800 13.032 -23.265 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.840 11.112 -23.910 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.139 12.845 -25.550 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.909 12.657 -25.522 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.148 14.044 -24.707 1.00 0.00 H new ATOM 672 N ALA A 45 -1.795 13.658 -22.099 1.00 0.00 N ATOM 673 CA ALA A 45 -0.715 14.198 -21.265 1.00 0.00 C ATOM 674 C ALA A 45 -0.500 13.336 -20.017 1.00 0.00 C ATOM 675 O ALA A 45 0.591 13.320 -19.468 1.00 0.00 O ATOM 676 CB ALA A 45 -1.029 15.647 -20.878 1.00 0.00 C ATOM 0 H ALA A 45 -2.657 14.201 -22.043 1.00 0.00 H new ATOM 0 HA ALA A 45 0.210 14.181 -21.841 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.223 16.041 -20.259 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.123 16.252 -21.780 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.965 15.680 -20.320 1.00 0.00 H new ATOM 682 N ALA A 46 -1.567 12.646 -19.567 1.00 0.00 N ATOM 683 CA ALA A 46 -1.499 11.698 -18.438 1.00 0.00 C ATOM 684 C ALA A 46 -0.786 10.403 -18.860 1.00 0.00 C ATOM 685 O ALA A 46 0.009 9.851 -18.097 1.00 0.00 O ATOM 686 CB ALA A 46 -2.905 11.412 -17.892 1.00 0.00 C ATOM 0 H ALA A 46 -2.498 12.730 -19.975 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.915 12.151 -17.637 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.837 10.711 -17.060 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.357 12.342 -17.547 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.521 10.980 -18.681 1.00 0.00 H new ATOM 692 N ILE A 47 -1.070 9.948 -20.099 1.00 0.00 N ATOM 693 CA ILE A 47 -0.399 8.784 -20.704 1.00 0.00 C ATOM 694 C ILE A 47 1.086 9.105 -20.877 1.00 0.00 C ATOM 695 O ILE A 47 1.946 8.346 -20.429 1.00 0.00 O ATOM 696 CB ILE A 47 -1.030 8.388 -22.098 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.530 7.968 -21.944 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.211 7.267 -22.804 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.765 6.751 -21.062 1.00 0.00 C ATOM 0 H ILE A 47 -1.769 10.378 -20.704 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.532 7.931 -20.039 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.990 9.274 -22.731 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.088 8.810 -21.534 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.940 7.766 -22.934 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.677 7.023 -23.759 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.808 7.614 -22.975 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.191 6.379 -22.173 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.833 6.536 -21.015 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.240 5.892 -21.480 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.391 6.952 -20.058 1.00 0.00 H new ATOM 711 N LYS A 48 1.365 10.272 -21.489 1.00 0.00 N ATOM 712 CA LYS A 48 2.730 10.706 -21.793 1.00 0.00 C ATOM 713 C LYS A 48 3.480 11.078 -20.500 1.00 0.00 C ATOM 714 O LYS A 48 4.698 11.050 -20.476 1.00 0.00 O ATOM 715 CB LYS A 48 2.709 11.884 -22.806 1.00 0.00 C ATOM 716 CG LYS A 48 4.054 12.167 -23.528 1.00 0.00 C ATOM 717 CD LYS A 48 4.591 10.921 -24.286 1.00 0.00 C ATOM 718 CE LYS A 48 5.837 11.210 -25.142 1.00 0.00 C ATOM 719 NZ LYS A 48 5.537 12.092 -26.298 1.00 0.00 N ATOM 0 H LYS A 48 0.648 10.935 -21.783 1.00 0.00 H new ATOM 0 HA LYS A 48 3.269 9.880 -22.257 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.948 11.679 -23.559 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.402 12.788 -22.280 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.920 12.988 -24.232 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.795 12.492 -22.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.830 10.141 -23.563 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.802 10.529 -24.928 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.601 11.677 -24.521 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.252 10.269 -25.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.936 11.677 -27.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.507 12.188 -26.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.958 13.030 -26.138 1.00 0.00 H new ATOM 733 N ALA A 49 2.737 11.404 -19.418 1.00 0.00 N ATOM 734 CA ALA A 49 3.324 11.596 -18.074 1.00 0.00 C ATOM 735 C ALA A 49 3.938 10.281 -17.575 1.00 0.00 C ATOM 736 O ALA A 49 5.056 10.276 -17.062 1.00 0.00 O ATOM 737 CB ALA A 49 2.279 12.118 -17.074 1.00 0.00 C ATOM 0 H ALA A 49 1.727 11.540 -19.451 1.00 0.00 H new ATOM 0 HA ALA A 49 4.110 12.348 -18.152 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.744 12.248 -16.097 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.890 13.075 -17.421 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.462 11.401 -16.995 1.00 0.00 H new ATOM 743 N LEU A 50 3.190 9.175 -17.773 1.00 0.00 N ATOM 744 CA LEU A 50 3.637 7.810 -17.419 1.00 0.00 C ATOM 745 C LEU A 50 4.778 7.318 -18.345 1.00 0.00 C ATOM 746 O LEU A 50 5.664 6.579 -17.893 1.00 0.00 O ATOM 747 CB LEU A 50 2.440 6.802 -17.449 1.00 0.00 C ATOM 748 CG LEU A 50 1.611 6.647 -16.135 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.499 6.139 -14.978 1.00 0.00 C ATOM 750 CD2 LEU A 50 0.881 7.946 -15.758 1.00 0.00 C ATOM 0 H LEU A 50 2.257 9.203 -18.184 1.00 0.00 H new ATOM 0 HA LEU A 50 4.029 7.856 -16.403 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.760 7.107 -18.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.830 5.821 -17.721 1.00 0.00 H new ATOM 0 HG LEU A 50 0.842 5.897 -16.321 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.898 6.040 -14.074 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.921 5.169 -15.242 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.306 6.849 -14.800 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.317 7.793 -14.838 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.610 8.743 -15.608 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.198 8.225 -16.560 1.00 0.00 H new ATOM 762 N GLU A 51 4.731 7.712 -19.637 1.00 0.00 N ATOM 763 CA GLU A 51 5.772 7.353 -20.620 1.00 0.00 C ATOM 764 C GLU A 51 7.093 8.025 -20.239 1.00 0.00 C ATOM 765 O GLU A 51 8.083 7.342 -19.974 1.00 0.00 O ATOM 766 CB GLU A 51 5.360 7.743 -22.071 1.00 0.00 C ATOM 767 CG GLU A 51 4.013 7.164 -22.562 1.00 0.00 C ATOM 768 CD GLU A 51 3.866 5.654 -22.311 1.00 0.00 C ATOM 769 OE1 GLU A 51 4.462 4.850 -23.058 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.174 5.259 -21.344 1.00 0.00 O ATOM 0 H GLU A 51 3.978 8.282 -20.023 1.00 0.00 H new ATOM 0 HA GLU A 51 5.896 6.270 -20.601 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.313 8.830 -22.136 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.145 7.416 -22.753 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.198 7.688 -22.063 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.911 7.358 -23.630 1.00 0.00 H new ATOM 777 N LEU A 52 7.053 9.369 -20.153 1.00 0.00 N ATOM 778 CA LEU A 52 8.215 10.206 -19.789 1.00 0.00 C ATOM 779 C LEU A 52 8.748 9.855 -18.384 1.00 0.00 C ATOM 780 O LEU A 52 9.935 10.049 -18.102 1.00 0.00 O ATOM 781 CB LEU A 52 7.858 11.720 -19.866 1.00 0.00 C ATOM 782 CG LEU A 52 7.372 12.281 -21.250 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.057 13.795 -21.159 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.378 11.988 -22.387 1.00 0.00 C ATOM 0 H LEU A 52 6.207 9.909 -20.335 1.00 0.00 H new ATOM 0 HA LEU A 52 9.003 9.996 -20.512 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.079 11.920 -19.130 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.737 12.289 -19.562 1.00 0.00 H new ATOM 0 HG LEU A 52 6.450 11.756 -21.499 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.723 14.156 -22.132 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.272 13.960 -20.421 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.955 14.336 -20.860 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.997 12.395 -23.324 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.337 12.451 -22.153 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.510 10.911 -22.487 1.00 0.00 H new ATOM 796 N TYR A 53 7.855 9.322 -17.519 1.00 0.00 N ATOM 797 CA TYR A 53 8.206 8.888 -16.160 1.00 0.00 C ATOM 798 C TYR A 53 9.178 7.709 -16.202 1.00 0.00 C ATOM 799 O TYR A 53 10.284 7.794 -15.662 1.00 0.00 O ATOM 800 CB TYR A 53 6.927 8.517 -15.355 1.00 0.00 C ATOM 801 CG TYR A 53 7.192 7.936 -13.952 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.757 8.726 -12.946 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.881 6.605 -13.639 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.008 8.206 -11.691 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.130 6.090 -12.384 1.00 0.00 C ATOM 806 CZ TYR A 53 7.690 6.894 -11.413 1.00 0.00 C ATOM 807 OH TYR A 53 7.947 6.384 -10.163 1.00 0.00 O ATOM 0 H TYR A 53 6.871 9.183 -17.750 1.00 0.00 H new ATOM 0 HA TYR A 53 8.700 9.718 -15.654 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.308 9.408 -15.253 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.350 7.792 -15.930 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.001 9.758 -13.153 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.439 5.972 -14.394 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.453 8.827 -10.928 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.887 5.061 -12.162 1.00 0.00 H new ATOM 0 HH TYR A 53 7.664 5.446 -10.128 1.00 0.00 H new ATOM 817 N LYS A 54 8.765 6.624 -16.878 1.00 0.00 N ATOM 818 CA LYS A 54 9.513 5.356 -16.864 1.00 0.00 C ATOM 819 C LYS A 54 10.769 5.429 -17.747 1.00 0.00 C ATOM 820 O LYS A 54 11.790 4.819 -17.418 1.00 0.00 O ATOM 821 CB LYS A 54 8.607 4.165 -17.276 1.00 0.00 C ATOM 822 CG LYS A 54 8.008 4.229 -18.703 1.00 0.00 C ATOM 823 CD LYS A 54 7.417 2.867 -19.154 1.00 0.00 C ATOM 824 CE LYS A 54 6.698 2.947 -20.510 1.00 0.00 C ATOM 825 NZ LYS A 54 5.442 3.718 -20.415 1.00 0.00 N ATOM 0 H LYS A 54 7.915 6.600 -17.442 1.00 0.00 H new ATOM 0 HA LYS A 54 9.844 5.185 -15.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.186 3.246 -17.188 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.787 4.094 -16.562 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.228 4.989 -18.734 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.782 4.538 -19.406 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.219 2.131 -19.216 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.717 2.512 -18.398 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.356 3.411 -21.244 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.481 1.940 -20.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.143 4.013 -21.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.702 3.125 -19.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.595 4.560 -19.824 1.00 0.00 H new ATOM 839 N ILE A 55 10.702 6.192 -18.857 1.00 0.00 N ATOM 840 CA ILE A 55 11.855 6.367 -19.776 1.00 0.00 C ATOM 841 C ILE A 55 12.830 7.440 -19.234 1.00 0.00 C ATOM 842 O ILE A 55 13.911 7.631 -19.801 1.00 0.00 O ATOM 843 CB ILE A 55 11.395 6.724 -21.246 1.00 0.00 C ATOM 844 CG1 ILE A 55 10.817 8.177 -21.345 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.367 5.672 -21.761 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.222 8.553 -22.696 1.00 0.00 C ATOM 0 H ILE A 55 9.864 6.698 -19.142 1.00 0.00 H new ATOM 0 HA ILE A 55 12.377 5.411 -19.823 1.00 0.00 H new ATOM 0 HB ILE A 55 12.276 6.692 -21.887 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.048 8.296 -20.582 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.613 8.883 -21.108 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.059 5.930 -22.774 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.827 4.684 -21.762 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.495 5.665 -21.107 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.851 9.577 -22.658 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.989 8.474 -23.466 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.400 7.878 -22.932 1.00 0.00 H new ATOM 858 N ASN A 56 12.405 8.132 -18.135 1.00 0.00 N ATOM 859 CA ASN A 56 13.217 9.124 -17.396 1.00 0.00 C ATOM 860 C ASN A 56 13.656 10.273 -18.322 1.00 0.00 C ATOM 861 O ASN A 56 14.849 10.592 -18.444 1.00 0.00 O ATOM 862 CB ASN A 56 14.422 8.434 -16.688 1.00 0.00 C ATOM 863 CG ASN A 56 14.013 7.411 -15.614 1.00 0.00 C ATOM 864 OD1 ASN A 56 14.635 6.363 -15.475 1.00 0.00 O ATOM 865 ND2 ASN A 56 12.992 7.719 -14.827 1.00 0.00 N ATOM 0 H ASN A 56 11.473 8.008 -17.739 1.00 0.00 H new ATOM 0 HA ASN A 56 12.601 9.568 -16.614 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.033 7.933 -17.439 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.047 9.199 -16.227 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.708 7.078 -14.086 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.490 8.597 -14.962 1.00 0.00 H new ATOM 872 N ALA A 57 12.653 10.873 -18.981 1.00 0.00 N ATOM 873 CA ALA A 57 12.836 11.973 -19.937 1.00 0.00 C ATOM 874 C ALA A 57 13.103 13.310 -19.217 1.00 0.00 C ATOM 875 O ALA A 57 13.260 13.360 -17.986 1.00 0.00 O ATOM 876 CB ALA A 57 11.609 12.061 -20.856 1.00 0.00 C ATOM 0 H ALA A 57 11.677 10.602 -18.862 1.00 0.00 H new ATOM 0 HA ALA A 57 13.716 11.767 -20.546 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.744 12.877 -21.566 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.493 11.123 -21.399 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.718 12.245 -20.256 1.00 0.00 H new ATOM 882 N LYS A 58 13.158 14.387 -20.016 1.00 0.00 N ATOM 883 CA LYS A 58 13.559 15.723 -19.556 1.00 0.00 C ATOM 884 C LYS A 58 12.494 16.361 -18.639 1.00 0.00 C ATOM 885 O LYS A 58 11.425 16.768 -19.116 1.00 0.00 O ATOM 886 CB LYS A 58 13.825 16.633 -20.780 1.00 0.00 C ATOM 887 CG LYS A 58 14.799 16.036 -21.820 1.00 0.00 C ATOM 888 CD LYS A 58 15.148 17.017 -22.962 1.00 0.00 C ATOM 889 CE LYS A 58 15.935 18.243 -22.469 1.00 0.00 C ATOM 890 NZ LYS A 58 17.197 17.847 -21.790 1.00 0.00 N ATOM 0 H LYS A 58 12.923 14.353 -21.008 1.00 0.00 H new ATOM 0 HA LYS A 58 14.471 15.617 -18.969 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.876 16.848 -21.271 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.225 17.584 -20.430 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.717 15.734 -21.316 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.358 15.135 -22.246 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.733 16.494 -23.719 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.229 17.350 -23.444 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.164 18.893 -23.314 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.317 18.820 -21.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.795 18.686 -21.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.976 17.424 -20.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.703 17.153 -22.376 1.00 0.00 H new ATOM 904 N LEU A 59 12.784 16.400 -17.323 1.00 0.00 N ATOM 905 CA LEU A 59 12.034 17.209 -16.352 1.00 0.00 C ATOM 906 C LEU A 59 12.473 18.675 -16.447 1.00 0.00 C ATOM 907 O LEU A 59 13.672 18.979 -16.542 1.00 0.00 O ATOM 908 CB LEU A 59 12.219 16.685 -14.895 1.00 0.00 C ATOM 909 CG LEU A 59 11.206 15.604 -14.423 1.00 0.00 C ATOM 910 CD1 LEU A 59 11.570 15.062 -13.028 1.00 0.00 C ATOM 911 CD2 LEU A 59 9.751 16.157 -14.445 1.00 0.00 C ATOM 0 H LEU A 59 13.548 15.868 -16.906 1.00 0.00 H new ATOM 0 HA LEU A 59 10.975 17.128 -16.597 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.225 16.276 -14.803 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.157 17.534 -14.214 1.00 0.00 H new ATOM 0 HG LEU A 59 11.262 14.771 -15.124 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.841 14.309 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.563 14.614 -13.059 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.563 15.879 -12.307 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.062 15.381 -14.111 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.679 17.018 -13.780 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.492 16.459 -15.460 1.00 0.00 H new ATOM 923 N CYS A 60 11.481 19.556 -16.422 1.00 0.00 N ATOM 924 CA CYS A 60 11.651 21.018 -16.460 1.00 0.00 C ATOM 925 C CYS A 60 11.169 21.615 -15.139 1.00 0.00 C ATOM 926 O CYS A 60 11.677 22.645 -14.675 1.00 0.00 O ATOM 927 CB CYS A 60 10.848 21.589 -17.636 1.00 0.00 C ATOM 928 SG CYS A 60 10.921 23.393 -17.786 1.00 0.00 S ATOM 0 H CYS A 60 10.502 19.272 -16.373 1.00 0.00 H new ATOM 0 HA CYS A 60 12.702 21.271 -16.597 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.215 21.144 -18.561 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.806 21.287 -17.529 1.00 0.00 H new ATOM 933 N ASP A 61 10.156 20.960 -14.559 1.00 0.00 N ATOM 934 CA ASP A 61 9.655 21.252 -13.216 1.00 0.00 C ATOM 935 C ASP A 61 10.698 20.818 -12.169 1.00 0.00 C ATOM 936 O ASP A 61 11.406 19.816 -12.398 1.00 0.00 O ATOM 937 CB ASP A 61 8.310 20.516 -13.012 1.00 0.00 C ATOM 938 CG ASP A 61 7.198 21.076 -13.920 1.00 0.00 C ATOM 939 OD1 ASP A 61 7.303 20.939 -15.158 1.00 0.00 O ATOM 940 OD2 ASP A 61 6.231 21.678 -13.401 1.00 0.00 O ATOM 0 H ASP A 61 9.655 20.200 -15.020 1.00 0.00 H new ATOM 0 HA ASP A 61 9.487 22.322 -13.097 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.444 19.454 -13.217 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.004 20.603 -11.969 1.00 0.00 H new ATOM 945 N PRO A 62 10.808 21.550 -11.003 1.00 0.00 N ATOM 946 CA PRO A 62 11.866 21.294 -9.996 1.00 0.00 C ATOM 947 C PRO A 62 11.785 19.866 -9.404 1.00 0.00 C ATOM 948 O PRO A 62 10.699 19.380 -9.069 1.00 0.00 O ATOM 949 CB PRO A 62 11.624 22.389 -8.910 1.00 0.00 C ATOM 950 CG PRO A 62 10.197 22.804 -9.093 1.00 0.00 C ATOM 951 CD PRO A 62 9.930 22.681 -10.581 1.00 0.00 C ATOM 0 HA PRO A 62 12.865 21.347 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.796 21.996 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 62 12.301 23.233 -9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.525 22.165 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.038 23.826 -8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.880 22.471 -10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.179 23.601 -11.110 1.00 0.00 H new ATOM 959 N HIS A 63 12.949 19.210 -9.303 1.00 0.00 N ATOM 960 CA HIS A 63 13.083 17.850 -8.749 1.00 0.00 C ATOM 961 C HIS A 63 13.968 17.910 -7.480 1.00 0.00 C ATOM 962 O HIS A 63 15.202 17.909 -7.591 1.00 0.00 O ATOM 963 CB HIS A 63 13.705 16.903 -9.818 1.00 0.00 C ATOM 964 CG HIS A 63 13.905 15.480 -9.357 1.00 0.00 C ATOM 965 ND1 HIS A 63 14.937 15.094 -8.527 1.00 0.00 N ATOM 966 CD2 HIS A 63 13.199 14.354 -9.609 1.00 0.00 C ATOM 967 CE1 HIS A 63 14.856 13.805 -8.296 1.00 0.00 C ATOM 968 NE2 HIS A 63 13.811 13.328 -8.940 1.00 0.00 N ATOM 0 H HIS A 63 13.836 19.611 -9.607 1.00 0.00 H new ATOM 0 HA HIS A 63 12.103 17.457 -8.479 1.00 0.00 H new ATOM 0 HB2 HIS A 63 13.062 16.899 -10.698 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.668 17.309 -10.128 1.00 0.00 H new ATOM 0 HD1 HIS A 63 15.653 15.715 -8.151 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.315 14.278 -10.225 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.533 13.231 -7.681 1.00 0.00 H new ATOM 977 N PRO A 64 13.358 18.046 -6.260 1.00 0.00 N ATOM 978 CA PRO A 64 14.096 17.943 -4.978 1.00 0.00 C ATOM 979 C PRO A 64 14.644 16.504 -4.776 1.00 0.00 C ATOM 980 O PRO A 64 15.871 16.311 -4.809 1.00 0.00 O ATOM 981 CB PRO A 64 13.035 18.329 -3.898 1.00 0.00 C ATOM 982 CG PRO A 64 11.938 19.005 -4.670 1.00 0.00 C ATOM 983 CD PRO A 64 11.924 18.336 -6.025 1.00 0.00 C ATOM 984 OXT PRO A 64 13.829 15.562 -4.645 1.00 0.00 O ATOM 0 HA PRO A 64 14.971 18.591 -4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.666 17.448 -3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.459 18.994 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.978 18.892 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.126 20.075 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.322 17.427 -6.022 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.511 18.988 -6.795 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.519 24.248 -19.413 1.00 0.00 ZN