USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 9:sc= 0.95 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -156:sc= -1.78 (180deg=-3.04!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 39 HIS : no HD1:sc= -2.42 X(o=-2.4,f=-2) USER MOD Single : A 42 GLN : amide:sc= -2.94 K(o=-2.9,f=-6!) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 0.0361 (180deg=0) USER MOD Single : A 54 MET CE :methyl -165:sc= 0 (180deg=-0.429) USER MOD Single : A 57 ASN : amide:sc= -0.681 X(o=-0.68,f=-1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 3:sc= 0.453 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.911 32.793 -15.951 1.00 0.00 N ATOM 2 CA GLY A 1 -17.005 32.693 -15.003 1.00 0.00 C ATOM 3 C GLY A 1 -16.715 33.419 -13.705 1.00 0.00 C ATOM 4 O GLY A 1 -16.436 34.618 -13.705 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.158 32.281 -16.822 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.737 33.793 -16.176 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.053 32.377 -15.536 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.909 33.104 -15.452 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.204 31.642 -14.792 1.00 0.00 H new ATOM 8 N SER A 2 -16.783 32.692 -12.594 1.00 0.00 N ATOM 9 CA SER A 2 -16.531 33.276 -11.282 1.00 0.00 C ATOM 10 C SER A 2 -15.893 32.254 -10.346 1.00 0.00 C ATOM 11 O SER A 2 -15.992 31.047 -10.566 1.00 0.00 O ATOM 12 CB SER A 2 -17.834 33.798 -10.674 1.00 0.00 C ATOM 13 OG SER A 2 -18.371 34.856 -11.449 1.00 0.00 O ATOM 0 H SER A 2 -17.010 31.698 -12.577 1.00 0.00 H new ATOM 0 HA SER A 2 -15.839 34.108 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.559 32.987 -10.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.651 34.145 -9.657 1.00 0.00 H new ATOM 0 HG SER A 2 -19.204 35.171 -11.040 1.00 0.00 H new ATOM 19 N SER A 3 -15.238 32.747 -9.299 1.00 0.00 N ATOM 20 CA SER A 3 -14.580 31.878 -8.331 1.00 0.00 C ATOM 21 C SER A 3 -15.308 31.909 -6.990 1.00 0.00 C ATOM 22 O SER A 3 -15.921 32.912 -6.627 1.00 0.00 O ATOM 23 CB SER A 3 -13.122 32.301 -8.142 1.00 0.00 C ATOM 24 OG SER A 3 -12.385 31.301 -7.460 1.00 0.00 O ATOM 0 H SER A 3 -15.149 33.743 -9.100 1.00 0.00 H new ATOM 0 HA SER A 3 -14.608 30.859 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.667 32.493 -9.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.081 33.234 -7.580 1.00 0.00 H new ATOM 0 HG SER A 3 -11.456 31.595 -7.353 1.00 0.00 H new ATOM 30 N GLY A 4 -15.236 30.801 -6.259 1.00 0.00 N ATOM 31 CA GLY A 4 -15.892 30.722 -4.967 1.00 0.00 C ATOM 32 C GLY A 4 -14.908 30.547 -3.827 1.00 0.00 C ATOM 33 O GLY A 4 -14.286 31.512 -3.382 1.00 0.00 O ATOM 0 H GLY A 4 -14.735 29.957 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.476 31.628 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.593 29.887 -4.969 1.00 0.00 H new ATOM 37 N SER A 5 -14.768 29.314 -3.351 1.00 0.00 N ATOM 38 CA SER A 5 -13.858 29.018 -2.251 1.00 0.00 C ATOM 39 C SER A 5 -12.602 28.317 -2.760 1.00 0.00 C ATOM 40 O SER A 5 -12.599 27.734 -3.845 1.00 0.00 O ATOM 41 CB SER A 5 -14.554 28.145 -1.205 1.00 0.00 C ATOM 42 OG SER A 5 -14.863 26.866 -1.732 1.00 0.00 O ATOM 0 H SER A 5 -15.273 28.504 -3.710 1.00 0.00 H new ATOM 0 HA SER A 5 -13.566 29.961 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.911 28.036 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.468 28.634 -0.869 1.00 0.00 H new ATOM 0 HG SER A 5 -15.306 26.327 -1.044 1.00 0.00 H new ATOM 48 N SER A 6 -11.536 28.377 -1.969 1.00 0.00 N ATOM 49 CA SER A 6 -10.272 27.752 -2.340 1.00 0.00 C ATOM 50 C SER A 6 -9.744 26.879 -1.206 1.00 0.00 C ATOM 51 O SER A 6 -9.435 27.370 -0.121 1.00 0.00 O ATOM 52 CB SER A 6 -9.237 28.820 -2.700 1.00 0.00 C ATOM 53 OG SER A 6 -8.700 29.423 -1.536 1.00 0.00 O ATOM 0 H SER A 6 -11.522 28.852 -1.067 1.00 0.00 H new ATOM 0 HA SER A 6 -10.450 27.120 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.434 28.370 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.699 29.582 -3.328 1.00 0.00 H new ATOM 0 HG SER A 6 -9.003 28.932 -0.744 1.00 0.00 H new ATOM 59 N GLY A 7 -9.645 25.578 -1.465 1.00 0.00 N ATOM 60 CA GLY A 7 -9.155 24.656 -0.458 1.00 0.00 C ATOM 61 C GLY A 7 -7.664 24.792 -0.223 1.00 0.00 C ATOM 62 O GLY A 7 -6.858 24.284 -1.002 1.00 0.00 O ATOM 0 H GLY A 7 -9.896 25.147 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.685 24.831 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.379 23.635 -0.765 1.00 0.00 H new ATOM 66 N GLU A 8 -7.296 25.480 0.853 1.00 0.00 N ATOM 67 CA GLU A 8 -5.890 25.683 1.185 1.00 0.00 C ATOM 68 C GLU A 8 -5.305 24.443 1.854 1.00 0.00 C ATOM 69 O GLU A 8 -5.424 24.264 3.066 1.00 0.00 O ATOM 70 CB GLU A 8 -5.730 26.896 2.104 1.00 0.00 C ATOM 71 CG GLU A 8 -4.365 27.556 2.010 1.00 0.00 C ATOM 72 CD GLU A 8 -3.996 28.315 3.269 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.282 27.809 4.374 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.420 29.417 3.149 1.00 0.00 O ATOM 0 H GLU A 8 -7.951 25.906 1.509 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.346 25.865 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.497 27.631 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.904 26.586 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.610 26.794 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.354 28.240 1.162 1.00 0.00 H new ATOM 81 N ASP A 9 -4.673 23.590 1.056 1.00 0.00 N ATOM 82 CA ASP A 9 -4.069 22.366 1.570 1.00 0.00 C ATOM 83 C ASP A 9 -2.611 22.255 1.133 1.00 0.00 C ATOM 84 O ASP A 9 -2.178 22.882 0.166 1.00 0.00 O ATOM 85 CB ASP A 9 -4.852 21.144 1.089 1.00 0.00 C ATOM 86 CG ASP A 9 -6.041 20.832 1.977 1.00 0.00 C ATOM 87 OD1 ASP A 9 -5.835 20.619 3.190 1.00 0.00 O ATOM 88 OD2 ASP A 9 -7.177 20.800 1.459 1.00 0.00 O ATOM 0 H ASP A 9 -4.565 23.723 0.050 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.102 22.403 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.199 21.316 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.188 20.280 1.058 1.00 0.00 H new ATOM 93 N PRO A 10 -1.835 21.439 1.862 1.00 0.00 N ATOM 94 CA PRO A 10 -0.415 21.228 1.569 1.00 0.00 C ATOM 95 C PRO A 10 -0.199 20.441 0.280 1.00 0.00 C ATOM 96 O PRO A 10 0.923 20.047 -0.038 1.00 0.00 O ATOM 97 CB PRO A 10 0.080 20.424 2.775 1.00 0.00 C ATOM 98 CG PRO A 10 -1.133 19.731 3.291 1.00 0.00 C ATOM 99 CD PRO A 10 -2.285 20.661 3.028 1.00 0.00 C ATOM 0 HA PRO A 10 0.114 22.169 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.851 19.710 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.517 21.075 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.280 18.775 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.038 19.519 4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.203 20.113 2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.487 21.303 3.886 1.00 0.00 H new ATOM 107 N PHE A 11 -1.281 20.217 -0.458 1.00 0.00 N ATOM 108 CA PHE A 11 -1.210 19.477 -1.713 1.00 0.00 C ATOM 109 C PHE A 11 -0.384 18.205 -1.548 1.00 0.00 C ATOM 110 O PHE A 11 0.276 17.756 -2.485 1.00 0.00 O ATOM 111 CB PHE A 11 -0.605 20.353 -2.812 1.00 0.00 C ATOM 112 CG PHE A 11 -1.237 21.712 -2.912 1.00 0.00 C ATOM 113 CD1 PHE A 11 -0.913 22.709 -2.006 1.00 0.00 C ATOM 114 CD2 PHE A 11 -2.154 21.992 -3.912 1.00 0.00 C ATOM 115 CE1 PHE A 11 -1.494 23.960 -2.095 1.00 0.00 C ATOM 116 CE2 PHE A 11 -2.738 23.242 -4.006 1.00 0.00 C ATOM 117 CZ PHE A 11 -2.406 24.227 -3.097 1.00 0.00 C ATOM 0 H PHE A 11 -2.217 20.537 -0.209 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.224 19.196 -1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.462 20.470 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.707 19.842 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.199 22.506 -1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.416 21.225 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.235 24.728 -1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.453 23.448 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.859 25.205 -3.170 1.00 0.00 H new ATOM 127 N GLN A 12 -0.426 17.630 -0.350 1.00 0.00 N ATOM 128 CA GLN A 12 0.319 16.411 -0.062 1.00 0.00 C ATOM 129 C GLN A 12 -0.620 15.215 0.059 1.00 0.00 C ATOM 130 O GLN A 12 -1.717 15.309 0.610 1.00 0.00 O ATOM 131 CB GLN A 12 1.126 16.574 1.227 1.00 0.00 C ATOM 132 CG GLN A 12 2.408 17.371 1.045 1.00 0.00 C ATOM 133 CD GLN A 12 3.084 17.697 2.363 1.00 0.00 C ATOM 134 OE1 GLN A 12 2.490 17.550 3.431 1.00 0.00 O ATOM 135 NE2 GLN A 12 4.333 18.141 2.293 1.00 0.00 N ATOM 0 H GLN A 12 -0.968 17.989 0.436 1.00 0.00 H new ATOM 0 HA GLN A 12 1.004 16.229 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.505 17.067 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.374 15.587 1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.097 16.806 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.183 18.298 0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.786 18.247 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.839 18.376 3.147 1.00 0.00 H new ATOM 144 N PRO A 13 -0.181 14.061 -0.466 1.00 0.00 N ATOM 145 CA PRO A 13 -0.967 12.825 -0.428 1.00 0.00 C ATOM 146 C PRO A 13 -1.081 12.253 0.981 1.00 0.00 C ATOM 147 O PRO A 13 -0.168 12.396 1.793 1.00 0.00 O ATOM 148 CB PRO A 13 -0.175 11.873 -1.329 1.00 0.00 C ATOM 149 CG PRO A 13 1.225 12.383 -1.280 1.00 0.00 C ATOM 150 CD PRO A 13 1.117 13.876 -1.137 1.00 0.00 C ATOM 0 HA PRO A 13 -1.995 12.986 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.235 10.846 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.563 11.877 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.769 11.949 -0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.770 12.116 -2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.937 14.283 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.144 14.376 -2.105 1.00 0.00 H new ATOM 158 N GLU A 14 -2.207 11.605 1.262 1.00 0.00 N ATOM 159 CA GLU A 14 -2.439 11.012 2.574 1.00 0.00 C ATOM 160 C GLU A 14 -1.751 9.654 2.687 1.00 0.00 C ATOM 161 O GLU A 14 -2.396 8.610 2.590 1.00 0.00 O ATOM 162 CB GLU A 14 -3.939 10.859 2.831 1.00 0.00 C ATOM 163 CG GLU A 14 -4.596 12.118 3.370 1.00 0.00 C ATOM 164 CD GLU A 14 -3.908 12.648 4.614 1.00 0.00 C ATOM 165 OE1 GLU A 14 -3.507 11.829 5.465 1.00 0.00 O ATOM 166 OE2 GLU A 14 -3.772 13.884 4.734 1.00 0.00 O ATOM 0 H GLU A 14 -2.972 11.477 0.600 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.015 11.678 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.431 10.572 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.097 10.045 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.586 12.888 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.641 11.909 3.598 1.00 0.00 H new ATOM 173 N ILE A 15 -0.438 9.678 2.892 1.00 0.00 N ATOM 174 CA ILE A 15 0.337 8.450 3.018 1.00 0.00 C ATOM 175 C ILE A 15 0.378 7.973 4.466 1.00 0.00 C ATOM 176 O ILE A 15 0.317 8.775 5.398 1.00 0.00 O ATOM 177 CB ILE A 15 1.778 8.639 2.510 1.00 0.00 C ATOM 178 CG1 ILE A 15 1.773 9.052 1.037 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.580 7.361 2.705 1.00 0.00 C ATOM 180 CD1 ILE A 15 3.144 9.405 0.504 1.00 0.00 C ATOM 0 H ILE A 15 0.111 10.534 2.974 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.160 7.699 2.404 1.00 0.00 H new ATOM 0 HB ILE A 15 2.250 9.433 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.359 8.239 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.111 9.909 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.597 7.510 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.608 7.107 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.111 6.549 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.065 9.688 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.553 10.239 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.804 8.543 0.598 1.00 0.00 H new ATOM 192 N LYS A 16 0.485 6.661 4.648 1.00 0.00 N ATOM 193 CA LYS A 16 0.538 6.075 5.982 1.00 0.00 C ATOM 194 C LYS A 16 1.946 5.584 6.305 1.00 0.00 C ATOM 195 O LYS A 16 2.526 5.957 7.325 1.00 0.00 O ATOM 196 CB LYS A 16 -0.455 4.916 6.092 1.00 0.00 C ATOM 197 CG LYS A 16 -0.320 4.119 7.379 1.00 0.00 C ATOM 198 CD LYS A 16 -0.985 4.829 8.546 1.00 0.00 C ATOM 199 CE LYS A 16 -0.009 5.740 9.274 1.00 0.00 C ATOM 200 NZ LYS A 16 0.817 4.992 10.262 1.00 0.00 N ATOM 0 H LYS A 16 0.537 5.983 3.888 1.00 0.00 H new ATOM 0 HA LYS A 16 0.267 6.847 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.469 5.310 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.315 4.246 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.769 3.134 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.735 3.961 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.830 5.415 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.384 4.091 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.644 6.226 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.561 6.529 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.469 5.648 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.196 4.549 10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.363 4.256 9.771 1.00 0.00 H new ATOM 214 N VAL A 17 2.492 4.747 5.428 1.00 0.00 N ATOM 215 CA VAL A 17 3.833 4.208 5.619 1.00 0.00 C ATOM 216 C VAL A 17 3.843 3.129 6.696 1.00 0.00 C ATOM 217 O VAL A 17 4.631 3.188 7.641 1.00 0.00 O ATOM 218 CB VAL A 17 4.833 5.314 6.005 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.263 4.825 5.832 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.585 6.568 5.180 1.00 0.00 C ATOM 0 H VAL A 17 2.026 4.428 4.579 1.00 0.00 H new ATOM 0 HA VAL A 17 4.137 3.770 4.668 1.00 0.00 H new ATOM 0 HB VAL A 17 4.685 5.564 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.955 5.620 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.431 3.958 6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.429 4.546 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.300 7.339 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.704 6.337 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.572 6.928 5.361 1.00 0.00 H new ATOM 230 N ARG A 18 2.965 2.143 6.547 1.00 0.00 N ATOM 231 CA ARG A 18 2.872 1.051 7.507 1.00 0.00 C ATOM 232 C ARG A 18 3.871 -0.053 7.173 1.00 0.00 C ATOM 233 O ARG A 18 3.588 -1.238 7.357 1.00 0.00 O ATOM 234 CB ARG A 18 1.453 0.480 7.528 1.00 0.00 C ATOM 235 CG ARG A 18 0.549 1.133 8.560 1.00 0.00 C ATOM 236 CD ARG A 18 0.974 0.780 9.977 1.00 0.00 C ATOM 237 NE ARG A 18 0.772 -0.636 10.272 1.00 0.00 N ATOM 238 CZ ARG A 18 0.637 -1.118 11.502 1.00 0.00 C ATOM 239 NH1 ARG A 18 0.682 -0.302 12.546 1.00 0.00 N ATOM 240 NH2 ARG A 18 0.455 -2.419 11.691 1.00 0.00 N ATOM 0 H ARG A 18 2.308 2.078 5.770 1.00 0.00 H new ATOM 0 HA ARG A 18 3.111 1.448 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.008 0.599 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.504 -0.590 7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.571 2.215 8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.480 0.813 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.026 1.032 10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.407 1.383 10.686 1.00 0.00 H new ATOM 0 HE ARG A 18 0.732 -1.290 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.821 0.699 12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.578 -0.675 13.490 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.419 -3.050 10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.352 -2.787 12.636 1.00 0.00 H new ATOM 254 N CYS A 19 5.040 0.343 6.681 1.00 0.00 N ATOM 255 CA CYS A 19 6.081 -0.612 6.319 1.00 0.00 C ATOM 256 C CYS A 19 6.563 -1.381 7.546 1.00 0.00 C ATOM 257 O CYS A 19 6.252 -1.020 8.681 1.00 0.00 O ATOM 258 CB CYS A 19 7.259 0.111 5.662 1.00 0.00 C ATOM 259 SG CYS A 19 8.393 -0.988 4.754 1.00 0.00 S ATOM 0 H CYS A 19 5.290 1.319 6.524 1.00 0.00 H new ATOM 0 HA CYS A 19 5.657 -1.322 5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.872 0.864 4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.821 0.640 6.431 1.00 0.00 H new ATOM 264 N VAL A 20 7.324 -2.445 7.309 1.00 0.00 N ATOM 265 CA VAL A 20 7.850 -3.266 8.393 1.00 0.00 C ATOM 266 C VAL A 20 9.076 -2.618 9.027 1.00 0.00 C ATOM 267 O VAL A 20 9.187 -2.540 10.251 1.00 0.00 O ATOM 268 CB VAL A 20 8.226 -4.675 7.898 1.00 0.00 C ATOM 269 CG1 VAL A 20 6.992 -5.415 7.405 1.00 0.00 C ATOM 270 CG2 VAL A 20 9.280 -4.592 6.805 1.00 0.00 C ATOM 0 H VAL A 20 7.590 -2.759 6.376 1.00 0.00 H new ATOM 0 HA VAL A 20 7.060 -3.350 9.139 1.00 0.00 H new ATOM 0 HB VAL A 20 8.646 -5.235 8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.277 -6.409 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.273 -5.507 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.540 -4.861 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.534 -5.597 6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.890 -4.015 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.173 -4.105 7.197 1.00 0.00 H new ATOM 280 N CYS A 21 9.994 -2.153 8.187 1.00 0.00 N ATOM 281 CA CYS A 21 11.213 -1.511 8.664 1.00 0.00 C ATOM 282 C CYS A 21 10.940 -0.692 9.923 1.00 0.00 C ATOM 283 O CYS A 21 11.784 -0.602 10.813 1.00 0.00 O ATOM 284 CB CYS A 21 11.801 -0.612 7.575 1.00 0.00 C ATOM 285 SG CYS A 21 10.634 0.625 6.923 1.00 0.00 S ATOM 0 H CYS A 21 9.917 -2.209 7.171 1.00 0.00 H new ATOM 0 HA CYS A 21 11.933 -2.292 8.909 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.674 -0.097 7.976 1.00 0.00 H new ATOM 0 HB3 CYS A 21 12.150 -1.236 6.752 1.00 0.00 H new ATOM 290 N GLY A 22 9.752 -0.098 9.989 1.00 0.00 N ATOM 291 CA GLY A 22 9.388 0.706 11.141 1.00 0.00 C ATOM 292 C GLY A 22 9.875 2.137 11.027 1.00 0.00 C ATOM 293 O GLY A 22 10.241 2.756 12.025 1.00 0.00 O ATOM 0 H GLY A 22 9.036 -0.159 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.304 0.702 11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.804 0.254 12.041 1.00 0.00 H new ATOM 297 N ASN A 23 9.880 2.663 9.807 1.00 0.00 N ATOM 298 CA ASN A 23 10.328 4.030 9.566 1.00 0.00 C ATOM 299 C ASN A 23 9.209 4.870 8.959 1.00 0.00 C ATOM 300 O ASN A 23 8.664 4.531 7.908 1.00 0.00 O ATOM 301 CB ASN A 23 11.545 4.034 8.638 1.00 0.00 C ATOM 302 CG ASN A 23 12.848 3.851 9.392 1.00 0.00 C ATOM 303 OD1 ASN A 23 12.853 3.446 10.554 1.00 0.00 O ATOM 304 ND2 ASN A 23 13.960 4.151 8.732 1.00 0.00 N ATOM 0 H ASN A 23 9.579 2.164 8.970 1.00 0.00 H new ATOM 0 HA ASN A 23 10.608 4.468 10.524 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.440 3.237 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.576 4.974 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.867 4.049 9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.908 4.484 7.769 1.00 0.00 H new ATOM 311 N SER A 24 8.871 5.968 9.627 1.00 0.00 N ATOM 312 CA SER A 24 7.815 6.856 9.156 1.00 0.00 C ATOM 313 C SER A 24 8.332 7.780 8.057 1.00 0.00 C ATOM 314 O SER A 24 8.043 8.978 8.051 1.00 0.00 O ATOM 315 CB SER A 24 7.260 7.684 10.316 1.00 0.00 C ATOM 316 OG SER A 24 6.888 6.854 11.403 1.00 0.00 O ATOM 0 H SER A 24 9.314 6.264 10.497 1.00 0.00 H new ATOM 0 HA SER A 24 7.015 6.242 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.010 8.404 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.395 8.255 9.978 1.00 0.00 H new ATOM 0 HG SER A 24 6.538 7.407 12.132 1.00 0.00 H new ATOM 322 N LEU A 25 9.098 7.216 7.130 1.00 0.00 N ATOM 323 CA LEU A 25 9.656 7.989 6.026 1.00 0.00 C ATOM 324 C LEU A 25 9.180 7.442 4.684 1.00 0.00 C ATOM 325 O LEU A 25 8.691 6.316 4.600 1.00 0.00 O ATOM 326 CB LEU A 25 11.185 7.968 6.084 1.00 0.00 C ATOM 327 CG LEU A 25 11.857 6.677 5.614 1.00 0.00 C ATOM 328 CD1 LEU A 25 12.028 6.685 4.103 1.00 0.00 C ATOM 329 CD2 LEU A 25 13.200 6.493 6.305 1.00 0.00 C ATOM 0 H LEU A 25 9.347 6.227 7.121 1.00 0.00 H new ATOM 0 HA LEU A 25 9.309 9.018 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.563 8.792 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.492 8.161 7.112 1.00 0.00 H new ATOM 0 HG LEU A 25 11.216 5.837 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.508 5.759 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.051 6.769 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.648 7.533 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.664 5.569 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.849 7.336 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.050 6.441 7.383 1.00 0.00 H new ATOM 341 N GLU A 26 9.328 8.248 3.636 1.00 0.00 N ATOM 342 CA GLU A 26 8.914 7.843 2.298 1.00 0.00 C ATOM 343 C GLU A 26 10.058 8.007 1.302 1.00 0.00 C ATOM 344 O GLU A 26 10.961 8.820 1.503 1.00 0.00 O ATOM 345 CB GLU A 26 7.706 8.665 1.844 1.00 0.00 C ATOM 346 CG GLU A 26 6.533 8.608 2.809 1.00 0.00 C ATOM 347 CD GLU A 26 6.726 9.508 4.014 1.00 0.00 C ATOM 348 OE1 GLU A 26 6.718 10.744 3.838 1.00 0.00 O ATOM 349 OE2 GLU A 26 6.885 8.976 5.133 1.00 0.00 O ATOM 0 H GLU A 26 9.731 9.184 3.688 1.00 0.00 H new ATOM 0 HA GLU A 26 8.635 6.790 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.011 9.704 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.380 8.307 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.622 8.898 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.394 7.581 3.146 1.00 0.00 H new ATOM 356 N THR A 27 10.014 7.227 0.226 1.00 0.00 N ATOM 357 CA THR A 27 11.046 7.284 -0.801 1.00 0.00 C ATOM 358 C THR A 27 10.434 7.293 -2.197 1.00 0.00 C ATOM 359 O THR A 27 9.246 7.014 -2.366 1.00 0.00 O ATOM 360 CB THR A 27 12.018 6.094 -0.688 1.00 0.00 C ATOM 361 OG1 THR A 27 11.309 4.863 -0.875 1.00 0.00 O ATOM 362 CG2 THR A 27 12.708 6.086 0.668 1.00 0.00 C ATOM 0 H THR A 27 9.274 6.549 0.044 1.00 0.00 H new ATOM 0 HA THR A 27 11.597 8.211 -0.643 1.00 0.00 H new ATOM 0 HB THR A 27 12.777 6.198 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.934 4.111 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.389 5.237 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.270 7.011 0.796 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.960 6.004 1.456 1.00 0.00 H new ATOM 370 N ASP A 28 11.250 7.614 -3.195 1.00 0.00 N ATOM 371 CA ASP A 28 10.788 7.658 -4.577 1.00 0.00 C ATOM 372 C ASP A 28 10.115 6.346 -4.967 1.00 0.00 C ATOM 373 O ASP A 28 9.146 6.335 -5.725 1.00 0.00 O ATOM 374 CB ASP A 28 11.958 7.945 -5.519 1.00 0.00 C ATOM 375 CG ASP A 28 11.502 8.489 -6.859 1.00 0.00 C ATOM 376 OD1 ASP A 28 10.582 9.333 -6.874 1.00 0.00 O ATOM 377 OD2 ASP A 28 12.066 8.072 -7.892 1.00 0.00 O ATOM 0 H ASP A 28 12.235 7.848 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 28 10.056 8.461 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.632 8.662 -5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.527 7.029 -5.677 1.00 0.00 H new ATOM 382 N SER A 29 10.636 5.241 -4.443 1.00 0.00 N ATOM 383 CA SER A 29 10.089 3.922 -4.740 1.00 0.00 C ATOM 384 C SER A 29 9.145 3.464 -3.633 1.00 0.00 C ATOM 385 O SER A 29 9.560 3.263 -2.492 1.00 0.00 O ATOM 386 CB SER A 29 11.219 2.905 -4.915 1.00 0.00 C ATOM 387 OG SER A 29 11.835 3.042 -6.184 1.00 0.00 O ATOM 0 H SER A 29 11.436 5.233 -3.811 1.00 0.00 H new ATOM 0 HA SER A 29 9.525 3.991 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.962 3.043 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.824 1.895 -4.806 1.00 0.00 H new ATOM 0 HG SER A 29 12.555 2.383 -6.271 1.00 0.00 H new ATOM 393 N MET A 30 7.872 3.301 -3.979 1.00 0.00 N ATOM 394 CA MET A 30 6.868 2.865 -3.015 1.00 0.00 C ATOM 395 C MET A 30 5.633 2.320 -3.725 1.00 0.00 C ATOM 396 O MET A 30 5.254 2.805 -4.792 1.00 0.00 O ATOM 397 CB MET A 30 6.473 4.025 -2.099 1.00 0.00 C ATOM 398 CG MET A 30 7.593 4.480 -1.177 1.00 0.00 C ATOM 399 SD MET A 30 7.003 5.523 0.170 1.00 0.00 S ATOM 400 CE MET A 30 6.173 4.313 1.198 1.00 0.00 C ATOM 0 H MET A 30 7.511 3.464 -4.919 1.00 0.00 H new ATOM 0 HA MET A 30 7.301 2.066 -2.413 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.153 4.868 -2.711 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.616 3.725 -1.496 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.094 3.606 -0.762 1.00 0.00 H new ATOM 0 HG3 MET A 30 8.336 5.028 -1.757 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.419 4.810 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.693 3.566 0.566 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.901 3.825 1.846 1.00 0.00 H new ATOM 410 N ILE A 31 5.010 1.310 -3.128 1.00 0.00 N ATOM 411 CA ILE A 31 3.818 0.700 -3.704 1.00 0.00 C ATOM 412 C ILE A 31 2.657 0.722 -2.716 1.00 0.00 C ATOM 413 O ILE A 31 2.838 0.469 -1.525 1.00 0.00 O ATOM 414 CB ILE A 31 4.082 -0.755 -4.135 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.470 -1.606 -2.925 1.00 0.00 C ATOM 416 CG2 ILE A 31 5.172 -0.803 -5.195 1.00 0.00 C ATOM 417 CD1 ILE A 31 5.892 -1.382 -2.459 1.00 0.00 C ATOM 0 H ILE A 31 5.311 0.897 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 31 3.556 1.289 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 31 3.167 -1.164 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.788 -1.387 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.340 -2.659 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.348 -1.838 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.859 -0.226 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.092 -0.380 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.097 -2.018 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.582 -1.629 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.022 -0.337 -2.177 1.00 0.00 H new ATOM 429 N GLN A 32 1.465 1.026 -3.219 1.00 0.00 N ATOM 430 CA GLN A 32 0.273 1.080 -2.379 1.00 0.00 C ATOM 431 C GLN A 32 -0.422 -0.276 -2.333 1.00 0.00 C ATOM 432 O GLN A 32 -0.364 -1.048 -3.290 1.00 0.00 O ATOM 433 CB GLN A 32 -0.694 2.145 -2.899 1.00 0.00 C ATOM 434 CG GLN A 32 -1.811 2.480 -1.924 1.00 0.00 C ATOM 435 CD GLN A 32 -2.851 3.405 -2.524 1.00 0.00 C ATOM 436 OE1 GLN A 32 -3.413 3.124 -3.583 1.00 0.00 O ATOM 437 NE2 GLN A 32 -3.115 4.518 -1.848 1.00 0.00 N ATOM 0 H GLN A 32 1.298 1.239 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 32 0.583 1.343 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.135 3.053 -3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.132 1.800 -3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.294 1.558 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.385 2.946 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.626 4.712 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.807 5.178 -2.203 1.00 0.00 H new ATOM 446 N CYS A 33 -1.078 -0.561 -1.213 1.00 0.00 N ATOM 447 CA CYS A 33 -1.784 -1.825 -1.040 1.00 0.00 C ATOM 448 C CYS A 33 -3.086 -1.833 -1.834 1.00 0.00 C ATOM 449 O CYS A 33 -3.792 -0.828 -1.898 1.00 0.00 O ATOM 450 CB CYS A 33 -2.076 -2.071 0.442 1.00 0.00 C ATOM 451 SG CYS A 33 -2.468 -3.804 0.844 1.00 0.00 S ATOM 0 H CYS A 33 -1.135 0.067 -0.411 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.145 -2.624 -1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.211 -1.760 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.911 -1.441 0.746 1.00 0.00 H new ATOM 456 N GLU A 34 -3.397 -2.976 -2.438 1.00 0.00 N ATOM 457 CA GLU A 34 -4.614 -3.115 -3.229 1.00 0.00 C ATOM 458 C GLU A 34 -5.847 -2.788 -2.392 1.00 0.00 C ATOM 459 O GLU A 34 -6.683 -1.977 -2.790 1.00 0.00 O ATOM 460 CB GLU A 34 -4.726 -4.535 -3.789 1.00 0.00 C ATOM 461 CG GLU A 34 -4.072 -4.706 -5.149 1.00 0.00 C ATOM 462 CD GLU A 34 -4.666 -3.791 -6.202 1.00 0.00 C ATOM 463 OE1 GLU A 34 -5.748 -4.118 -6.731 1.00 0.00 O ATOM 464 OE2 GLU A 34 -4.047 -2.747 -6.496 1.00 0.00 O ATOM 0 H GLU A 34 -2.823 -3.818 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.561 -2.409 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.269 -5.231 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.779 -4.804 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.004 -4.508 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.178 -5.742 -5.471 1.00 0.00 H new ATOM 471 N ASP A 35 -5.953 -3.426 -1.231 1.00 0.00 N ATOM 472 CA ASP A 35 -7.083 -3.203 -0.337 1.00 0.00 C ATOM 473 C ASP A 35 -7.428 -1.719 -0.256 1.00 0.00 C ATOM 474 O ASP A 35 -6.554 -0.859 -0.138 1.00 0.00 O ATOM 475 CB ASP A 35 -6.770 -3.744 1.059 1.00 0.00 C ATOM 476 CG ASP A 35 -8.022 -4.001 1.874 1.00 0.00 C ATOM 477 OD1 ASP A 35 -8.850 -4.832 1.446 1.00 0.00 O ATOM 478 OD2 ASP A 35 -8.174 -3.371 2.942 1.00 0.00 O ATOM 0 H ASP A 35 -5.270 -4.101 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.944 -3.736 -0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.203 -4.670 0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.136 -3.032 1.587 1.00 0.00 H new ATOM 483 N PRO A 36 -8.731 -1.409 -0.321 1.00 0.00 N ATOM 484 CA PRO A 36 -9.221 -0.029 -0.257 1.00 0.00 C ATOM 485 C PRO A 36 -9.043 0.586 1.127 1.00 0.00 C ATOM 486 O PRO A 36 -8.648 1.744 1.256 1.00 0.00 O ATOM 487 CB PRO A 36 -10.708 -0.164 -0.595 1.00 0.00 C ATOM 488 CG PRO A 36 -11.059 -1.559 -0.207 1.00 0.00 C ATOM 489 CD PRO A 36 -9.827 -2.383 -0.461 1.00 0.00 C ATOM 0 HA PRO A 36 -8.674 0.629 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.307 0.562 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.890 0.010 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.353 -1.610 0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.902 -1.926 -0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.734 -3.199 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.841 -2.832 -1.454 1.00 0.00 H new ATOM 497 N ARG A 37 -9.338 -0.198 2.160 1.00 0.00 N ATOM 498 CA ARG A 37 -9.211 0.271 3.535 1.00 0.00 C ATOM 499 C ARG A 37 -7.744 0.382 3.938 1.00 0.00 C ATOM 500 O ARG A 37 -7.343 1.337 4.604 1.00 0.00 O ATOM 501 CB ARG A 37 -9.943 -0.676 4.488 1.00 0.00 C ATOM 502 CG ARG A 37 -11.433 -0.788 4.210 1.00 0.00 C ATOM 503 CD ARG A 37 -12.131 -1.647 5.253 1.00 0.00 C ATOM 504 NE ARG A 37 -13.397 -2.184 4.762 1.00 0.00 N ATOM 505 CZ ARG A 37 -13.971 -3.277 5.252 1.00 0.00 C ATOM 506 NH1 ARG A 37 -13.396 -3.945 6.242 1.00 0.00 N ATOM 507 NH2 ARG A 37 -15.124 -3.703 4.752 1.00 0.00 N ATOM 0 H ARG A 37 -9.666 -1.160 2.071 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.663 1.261 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.494 -1.667 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.798 -0.331 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.878 0.207 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.588 -1.217 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.476 -2.469 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.312 -1.053 6.149 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.866 -1.693 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.510 -3.620 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.839 -4.784 6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.570 -3.191 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.564 -4.542 5.129 1.00 0.00 H new ATOM 521 N CYS A 38 -6.947 -0.601 3.531 1.00 0.00 N ATOM 522 CA CYS A 38 -5.525 -0.615 3.849 1.00 0.00 C ATOM 523 C CYS A 38 -4.800 0.535 3.155 1.00 0.00 C ATOM 524 O CYS A 38 -4.261 1.429 3.809 1.00 0.00 O ATOM 525 CB CYS A 38 -4.901 -1.949 3.436 1.00 0.00 C ATOM 526 SG CYS A 38 -3.499 -2.469 4.476 1.00 0.00 S ATOM 0 H CYS A 38 -7.263 -1.399 2.980 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.419 -0.490 4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.669 -2.722 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.565 -1.876 2.402 1.00 0.00 H new ATOM 531 N HIS A 39 -4.791 0.505 1.826 1.00 0.00 N ATOM 532 CA HIS A 39 -4.134 1.544 1.042 1.00 0.00 C ATOM 533 C HIS A 39 -2.905 2.079 1.771 1.00 0.00 C ATOM 534 O HIS A 39 -2.705 3.290 1.867 1.00 0.00 O ATOM 535 CB HIS A 39 -5.108 2.688 0.754 1.00 0.00 C ATOM 536 CG HIS A 39 -5.937 2.472 -0.475 1.00 0.00 C ATOM 537 ND1 HIS A 39 -7.169 3.062 -0.664 1.00 0.00 N ATOM 538 CD2 HIS A 39 -5.704 1.728 -1.581 1.00 0.00 C ATOM 539 CE1 HIS A 39 -7.658 2.689 -1.833 1.00 0.00 C ATOM 540 NE2 HIS A 39 -6.789 1.879 -2.409 1.00 0.00 N ATOM 0 H HIS A 39 -5.231 -0.228 1.270 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.812 1.104 0.098 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.769 2.816 1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.545 3.615 0.645 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.828 1.127 -1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.607 2.995 -2.247 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.905 1.437 -3.321 1.00 0.00 H new ATOM 549 N VAL A 40 -2.085 1.168 2.285 1.00 0.00 N ATOM 550 CA VAL A 40 -0.875 1.547 3.005 1.00 0.00 C ATOM 551 C VAL A 40 0.335 1.560 2.078 1.00 0.00 C ATOM 552 O VAL A 40 0.526 0.644 1.278 1.00 0.00 O ATOM 553 CB VAL A 40 -0.598 0.591 4.180 1.00 0.00 C ATOM 554 CG1 VAL A 40 -1.741 0.632 5.183 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.373 -0.825 3.672 1.00 0.00 C ATOM 0 H VAL A 40 -2.237 0.162 2.216 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.041 2.551 3.395 1.00 0.00 H new ATOM 0 HB VAL A 40 0.309 0.919 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.527 -0.050 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.849 1.645 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.666 0.330 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.179 -1.488 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.261 -1.166 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.482 -0.838 2.996 1.00 0.00 H new ATOM 565 N TRP A 41 1.150 2.603 2.192 1.00 0.00 N ATOM 566 CA TRP A 41 2.343 2.734 1.364 1.00 0.00 C ATOM 567 C TRP A 41 3.520 1.989 1.983 1.00 0.00 C ATOM 568 O TRP A 41 3.772 2.097 3.183 1.00 0.00 O ATOM 569 CB TRP A 41 2.699 4.210 1.177 1.00 0.00 C ATOM 570 CG TRP A 41 1.694 4.965 0.362 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.526 5.517 0.807 1.00 0.00 C ATOM 572 CD2 TRP A 41 1.766 5.249 -1.039 1.00 0.00 C ATOM 573 NE1 TRP A 41 -0.131 6.127 -0.234 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.609 5.978 -1.377 1.00 0.00 C ATOM 575 CE3 TRP A 41 2.697 4.961 -2.041 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.359 6.419 -2.674 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.447 5.400 -3.328 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.287 6.123 -3.635 1.00 0.00 C ATOM 0 H TRP A 41 1.006 3.370 2.849 1.00 0.00 H new ATOM 0 HA TRP A 41 2.130 2.293 0.391 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.790 4.681 2.156 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.675 4.283 0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 41 0.172 5.479 1.827 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.026 6.613 -0.167 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.595 4.406 -1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.536 6.975 -2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.159 5.182 -4.111 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.122 6.453 -4.650 1.00 0.00 H new ATOM 589 N GLN A 42 4.237 1.233 1.158 1.00 0.00 N ATOM 590 CA GLN A 42 5.388 0.470 1.626 1.00 0.00 C ATOM 591 C GLN A 42 6.563 0.612 0.665 1.00 0.00 C ATOM 592 O GLN A 42 6.377 0.750 -0.545 1.00 0.00 O ATOM 593 CB GLN A 42 5.018 -1.006 1.784 1.00 0.00 C ATOM 594 CG GLN A 42 3.891 -1.248 2.775 1.00 0.00 C ATOM 595 CD GLN A 42 3.620 -2.722 3.001 1.00 0.00 C ATOM 596 OE1 GLN A 42 3.426 -3.482 2.052 1.00 0.00 O ATOM 597 NE2 GLN A 42 3.605 -3.134 4.264 1.00 0.00 N ATOM 0 H GLN A 42 4.041 1.132 0.162 1.00 0.00 H new ATOM 0 HA GLN A 42 5.686 0.868 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.728 -1.405 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.899 -1.560 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.142 -0.778 3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.983 -0.767 2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.771 -2.469 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.428 -4.115 4.478 1.00 0.00 H new ATOM 606 N HIS A 43 7.775 0.577 1.210 1.00 0.00 N ATOM 607 CA HIS A 43 8.982 0.701 0.400 1.00 0.00 C ATOM 608 C HIS A 43 9.211 -0.558 -0.430 1.00 0.00 C ATOM 609 O HIS A 43 9.231 -1.669 0.100 1.00 0.00 O ATOM 610 CB HIS A 43 10.195 0.966 1.292 1.00 0.00 C ATOM 611 CG HIS A 43 10.101 2.243 2.068 1.00 0.00 C ATOM 612 ND1 HIS A 43 10.118 2.290 3.447 1.00 0.00 N ATOM 613 CD2 HIS A 43 9.990 3.526 1.652 1.00 0.00 C ATOM 614 CE1 HIS A 43 10.020 3.546 3.844 1.00 0.00 C ATOM 615 NE2 HIS A 43 9.942 4.316 2.774 1.00 0.00 N ATOM 0 H HIS A 43 7.947 0.464 2.209 1.00 0.00 H new ATOM 0 HA HIS A 43 8.849 1.543 -0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.312 0.135 1.988 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.092 0.992 0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.947 3.865 0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.006 3.885 4.869 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.859 5.333 2.780 1.00 0.00 H new ATOM 623 N VAL A 44 9.382 -0.377 -1.736 1.00 0.00 N ATOM 624 CA VAL A 44 9.610 -1.498 -2.640 1.00 0.00 C ATOM 625 C VAL A 44 10.760 -2.372 -2.153 1.00 0.00 C ATOM 626 O VAL A 44 10.682 -3.599 -2.194 1.00 0.00 O ATOM 627 CB VAL A 44 9.919 -1.013 -4.069 1.00 0.00 C ATOM 628 CG1 VAL A 44 10.225 -2.192 -4.979 1.00 0.00 C ATOM 629 CG2 VAL A 44 8.759 -0.194 -4.615 1.00 0.00 C ATOM 0 H VAL A 44 9.367 0.536 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 44 8.692 -2.085 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 44 10.801 -0.374 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.441 -1.829 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.090 -2.733 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.364 -2.860 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.994 0.141 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.858 -0.808 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.592 0.673 -3.975 1.00 0.00 H new ATOM 639 N GLY A 45 11.829 -1.730 -1.690 1.00 0.00 N ATOM 640 CA GLY A 45 12.981 -2.465 -1.200 1.00 0.00 C ATOM 641 C GLY A 45 12.813 -2.916 0.237 1.00 0.00 C ATOM 642 O GLY A 45 13.793 -3.072 0.966 1.00 0.00 O ATOM 0 H GLY A 45 11.918 -0.715 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.149 -3.336 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.869 -1.838 -1.279 1.00 0.00 H new ATOM 646 N CYS A 46 11.566 -3.124 0.648 1.00 0.00 N ATOM 647 CA CYS A 46 11.272 -3.557 2.009 1.00 0.00 C ATOM 648 C CYS A 46 10.353 -4.776 2.005 1.00 0.00 C ATOM 649 O CYS A 46 10.535 -5.707 2.789 1.00 0.00 O ATOM 650 CB CYS A 46 10.624 -2.419 2.800 1.00 0.00 C ATOM 651 SG CYS A 46 11.815 -1.325 3.639 1.00 0.00 S ATOM 0 H CYS A 46 10.743 -3.000 0.058 1.00 0.00 H new ATOM 0 HA CYS A 46 12.212 -3.833 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.013 -1.822 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.951 -2.845 3.544 1.00 0.00 H new ATOM 656 N VAL A 47 9.365 -4.762 1.116 1.00 0.00 N ATOM 657 CA VAL A 47 8.418 -5.866 1.008 1.00 0.00 C ATOM 658 C VAL A 47 8.613 -6.631 -0.296 1.00 0.00 C ATOM 659 O VAL A 47 8.670 -7.861 -0.302 1.00 0.00 O ATOM 660 CB VAL A 47 6.963 -5.366 1.085 1.00 0.00 C ATOM 661 CG1 VAL A 47 6.678 -4.761 2.451 1.00 0.00 C ATOM 662 CG2 VAL A 47 6.687 -4.360 -0.021 1.00 0.00 C ATOM 0 H VAL A 47 9.199 -3.999 0.460 1.00 0.00 H new ATOM 0 HA VAL A 47 8.610 -6.532 1.849 1.00 0.00 H new ATOM 0 HB VAL A 47 6.296 -6.217 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.646 -4.413 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.834 -5.515 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.350 -3.920 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.655 -4.017 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.360 -3.509 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.848 -4.832 -0.990 1.00 0.00 H new ATOM 672 N ILE A 48 8.714 -5.896 -1.398 1.00 0.00 N ATOM 673 CA ILE A 48 8.904 -6.506 -2.708 1.00 0.00 C ATOM 674 C ILE A 48 10.255 -7.207 -2.797 1.00 0.00 C ATOM 675 O ILE A 48 11.304 -6.579 -2.647 1.00 0.00 O ATOM 676 CB ILE A 48 8.805 -5.461 -3.835 1.00 0.00 C ATOM 677 CG1 ILE A 48 7.475 -4.710 -3.748 1.00 0.00 C ATOM 678 CG2 ILE A 48 8.953 -6.131 -5.193 1.00 0.00 C ATOM 679 CD1 ILE A 48 6.266 -5.596 -3.955 1.00 0.00 C ATOM 0 H ILE A 48 8.667 -4.877 -1.410 1.00 0.00 H new ATOM 0 HA ILE A 48 8.108 -7.240 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 48 9.615 -4.742 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.401 -4.230 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.466 -3.916 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.881 -5.380 -5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.923 -6.625 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.161 -6.869 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.359 -4.997 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.317 -6.056 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.251 -6.375 -3.192 1.00 0.00 H new ATOM 691 N LEU A 49 10.223 -8.512 -3.044 1.00 0.00 N ATOM 692 CA LEU A 49 11.446 -9.299 -3.156 1.00 0.00 C ATOM 693 C LEU A 49 12.319 -8.791 -4.299 1.00 0.00 C ATOM 694 O LEU A 49 11.967 -8.891 -5.474 1.00 0.00 O ATOM 695 CB LEU A 49 11.107 -10.775 -3.376 1.00 0.00 C ATOM 696 CG LEU A 49 12.129 -11.784 -2.851 1.00 0.00 C ATOM 697 CD1 LEU A 49 11.589 -13.201 -2.968 1.00 0.00 C ATOM 698 CD2 LEU A 49 13.446 -11.649 -3.601 1.00 0.00 C ATOM 0 H LEU A 49 9.364 -9.047 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 49 12.002 -9.194 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.147 -10.981 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.978 -10.942 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 49 12.311 -11.573 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.330 -13.905 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.672 -13.290 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.377 -13.424 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.161 -12.375 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.281 -11.833 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.841 -10.642 -3.464 1.00 0.00 H new ATOM 710 N PRO A 50 13.487 -8.232 -3.948 1.00 0.00 N ATOM 711 CA PRO A 50 14.436 -7.699 -4.930 1.00 0.00 C ATOM 712 C PRO A 50 15.097 -8.799 -5.754 1.00 0.00 C ATOM 713 O PRO A 50 14.938 -9.985 -5.464 1.00 0.00 O ATOM 714 CB PRO A 50 15.475 -6.981 -4.065 1.00 0.00 C ATOM 715 CG PRO A 50 15.406 -7.665 -2.744 1.00 0.00 C ATOM 716 CD PRO A 50 13.972 -8.079 -2.566 1.00 0.00 C ATOM 0 HA PRO A 50 13.948 -7.052 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.472 -7.057 -4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.248 -5.919 -3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.068 -8.530 -2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.722 -6.998 -1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.889 -9.010 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.401 -7.327 -2.021 1.00 0.00 H new ATOM 724 N ASP A 51 15.839 -8.398 -6.781 1.00 0.00 N ATOM 725 CA ASP A 51 16.525 -9.350 -7.646 1.00 0.00 C ATOM 726 C ASP A 51 18.023 -9.065 -7.686 1.00 0.00 C ATOM 727 O ASP A 51 18.814 -9.747 -7.033 1.00 0.00 O ATOM 728 CB ASP A 51 15.945 -9.297 -9.060 1.00 0.00 C ATOM 729 CG ASP A 51 16.630 -10.266 -10.004 1.00 0.00 C ATOM 730 OD1 ASP A 51 16.949 -11.393 -9.569 1.00 0.00 O ATOM 731 OD2 ASP A 51 16.847 -9.898 -11.177 1.00 0.00 O ATOM 0 H ASP A 51 15.980 -7.420 -7.034 1.00 0.00 H new ATOM 0 HA ASP A 51 16.374 -10.349 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.880 -9.524 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.041 -8.284 -9.451 1.00 0.00 H new ATOM 736 N LYS A 52 18.408 -8.055 -8.458 1.00 0.00 N ATOM 737 CA LYS A 52 19.811 -7.678 -8.584 1.00 0.00 C ATOM 738 C LYS A 52 19.979 -6.166 -8.485 1.00 0.00 C ATOM 739 O LYS A 52 20.488 -5.637 -7.496 1.00 0.00 O ATOM 740 CB LYS A 52 20.376 -8.179 -9.915 1.00 0.00 C ATOM 741 CG LYS A 52 21.113 -9.503 -9.804 1.00 0.00 C ATOM 742 CD LYS A 52 20.149 -10.677 -9.772 1.00 0.00 C ATOM 743 CE LYS A 52 20.795 -11.913 -9.166 1.00 0.00 C ATOM 744 NZ LYS A 52 19.788 -12.955 -8.825 1.00 0.00 N ATOM 0 H LYS A 52 17.767 -7.482 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 52 20.361 -8.141 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.560 -8.286 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 52 21.055 -7.427 -10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 52 21.794 -9.613 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 52 21.722 -9.507 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.265 -10.407 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.813 -10.900 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.520 -12.325 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.345 -11.632 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.872 -13.203 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.833 -12.589 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.955 -13.802 -9.405 1.00 0.00 H new ATOM 758 N PRO A 53 19.543 -5.451 -9.533 1.00 0.00 N ATOM 759 CA PRO A 53 19.633 -3.988 -9.586 1.00 0.00 C ATOM 760 C PRO A 53 18.683 -3.313 -8.603 1.00 0.00 C ATOM 761 O PRO A 53 18.878 -2.156 -8.232 1.00 0.00 O ATOM 762 CB PRO A 53 19.234 -3.661 -11.027 1.00 0.00 C ATOM 763 CG PRO A 53 18.381 -4.805 -11.453 1.00 0.00 C ATOM 764 CD PRO A 53 18.926 -6.014 -10.745 1.00 0.00 C ATOM 0 HA PRO A 53 20.625 -3.630 -9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 53 18.689 -2.719 -11.083 1.00 0.00 H new ATOM 0 HB3 PRO A 53 20.110 -3.561 -11.667 1.00 0.00 H new ATOM 0 HG2 PRO A 53 17.338 -4.634 -11.187 1.00 0.00 H new ATOM 0 HG3 PRO A 53 18.417 -4.937 -12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 53 18.138 -6.726 -10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 53 19.655 -6.544 -11.358 1.00 0.00 H new ATOM 772 N MET A 54 17.654 -4.043 -8.185 1.00 0.00 N ATOM 773 CA MET A 54 16.674 -3.513 -7.243 1.00 0.00 C ATOM 774 C MET A 54 16.104 -2.188 -7.740 1.00 0.00 C ATOM 775 O MET A 54 15.952 -1.240 -6.969 1.00 0.00 O ATOM 776 CB MET A 54 17.310 -3.324 -5.865 1.00 0.00 C ATOM 777 CG MET A 54 17.811 -4.617 -5.244 1.00 0.00 C ATOM 778 SD MET A 54 18.906 -4.335 -3.839 1.00 0.00 S ATOM 779 CE MET A 54 20.303 -5.363 -4.287 1.00 0.00 C ATOM 0 H MET A 54 17.477 -5.002 -8.483 1.00 0.00 H new ATOM 0 HA MET A 54 15.858 -4.231 -7.163 1.00 0.00 H new ATOM 0 HB2 MET A 54 18.142 -2.626 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.580 -2.869 -5.196 1.00 0.00 H new ATOM 0 HG2 MET A 54 16.958 -5.214 -4.921 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.339 -5.198 -6.000 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.941 -5.510 -3.415 1.00 0.00 H new ATOM 0 HE2 MET A 54 19.945 -6.329 -4.641 1.00 0.00 H new ATOM 0 HE3 MET A 54 20.875 -4.876 -5.077 1.00 0.00 H new ATOM 789 N ASP A 55 15.791 -2.130 -9.029 1.00 0.00 N ATOM 790 CA ASP A 55 15.237 -0.921 -9.628 1.00 0.00 C ATOM 791 C ASP A 55 14.751 -1.192 -11.048 1.00 0.00 C ATOM 792 O ASP A 55 15.055 -2.231 -11.632 1.00 0.00 O ATOM 793 CB ASP A 55 16.283 0.194 -9.638 1.00 0.00 C ATOM 794 CG ASP A 55 16.367 0.920 -8.309 1.00 0.00 C ATOM 795 OD1 ASP A 55 15.464 1.732 -8.019 1.00 0.00 O ATOM 796 OD2 ASP A 55 17.337 0.677 -7.560 1.00 0.00 O ATOM 0 H ASP A 55 15.911 -2.906 -9.680 1.00 0.00 H new ATOM 0 HA ASP A 55 14.385 -0.604 -9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 55 17.258 -0.229 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 55 16.041 0.909 -10.425 1.00 0.00 H new ATOM 801 N GLY A 56 13.992 -0.249 -11.599 1.00 0.00 N ATOM 802 CA GLY A 56 13.475 -0.405 -12.946 1.00 0.00 C ATOM 803 C GLY A 56 12.580 -1.621 -13.086 1.00 0.00 C ATOM 804 O GLY A 56 11.797 -1.930 -12.188 1.00 0.00 O ATOM 0 H GLY A 56 13.726 0.620 -11.136 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.915 0.488 -13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.308 -0.488 -13.644 1.00 0.00 H new ATOM 808 N ASN A 57 12.695 -2.311 -14.216 1.00 0.00 N ATOM 809 CA ASN A 57 11.888 -3.499 -14.471 1.00 0.00 C ATOM 810 C ASN A 57 12.337 -4.661 -13.591 1.00 0.00 C ATOM 811 O ASN A 57 13.516 -4.810 -13.271 1.00 0.00 O ATOM 812 CB ASN A 57 11.979 -3.896 -15.946 1.00 0.00 C ATOM 813 CG ASN A 57 13.414 -4.023 -16.422 1.00 0.00 C ATOM 814 OD1 ASN A 57 14.221 -4.725 -15.814 1.00 0.00 O ATOM 815 ND2 ASN A 57 13.736 -3.341 -17.515 1.00 0.00 N ATOM 0 H ASN A 57 13.339 -2.068 -14.969 1.00 0.00 H new ATOM 0 HA ASN A 57 10.852 -3.263 -14.229 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.463 -4.844 -16.097 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.462 -3.152 -16.552 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.686 -3.387 -17.883 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.033 -2.772 -17.986 1.00 0.00 H new ATOM 822 N PRO A 58 11.375 -5.506 -13.190 1.00 0.00 N ATOM 823 CA PRO A 58 9.968 -5.338 -13.565 1.00 0.00 C ATOM 824 C PRO A 58 9.327 -4.132 -12.886 1.00 0.00 C ATOM 825 O PRO A 58 9.735 -3.709 -11.804 1.00 0.00 O ATOM 826 CB PRO A 58 9.314 -6.635 -13.079 1.00 0.00 C ATOM 827 CG PRO A 58 10.191 -7.109 -11.972 1.00 0.00 C ATOM 828 CD PRO A 58 11.587 -6.690 -12.341 1.00 0.00 C ATOM 0 HA PRO A 58 9.850 -5.159 -14.634 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.296 -6.459 -12.730 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.253 -7.372 -13.880 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.890 -6.670 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.126 -8.191 -11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.181 -6.451 -11.459 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.115 -7.479 -12.876 1.00 0.00 H new ATOM 836 N PRO A 59 8.300 -3.564 -13.535 1.00 0.00 N ATOM 837 CA PRO A 59 7.580 -2.399 -13.011 1.00 0.00 C ATOM 838 C PRO A 59 6.744 -2.738 -11.782 1.00 0.00 C ATOM 839 O PRO A 59 6.756 -3.873 -11.304 1.00 0.00 O ATOM 840 CB PRO A 59 6.676 -1.988 -14.176 1.00 0.00 C ATOM 841 CG PRO A 59 6.481 -3.237 -14.964 1.00 0.00 C ATOM 842 CD PRO A 59 7.761 -4.015 -14.829 1.00 0.00 C ATOM 0 HA PRO A 59 8.260 -1.613 -12.683 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.725 -1.593 -13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.139 -1.207 -14.780 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.634 -3.809 -14.585 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.270 -3.010 -16.009 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.580 -5.090 -14.836 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.449 -3.802 -15.647 1.00 0.00 H new ATOM 850 N LEU A 60 6.019 -1.748 -11.274 1.00 0.00 N ATOM 851 CA LEU A 60 5.176 -1.942 -10.099 1.00 0.00 C ATOM 852 C LEU A 60 4.189 -3.083 -10.320 1.00 0.00 C ATOM 853 O LEU A 60 3.638 -3.259 -11.407 1.00 0.00 O ATOM 854 CB LEU A 60 4.419 -0.653 -9.773 1.00 0.00 C ATOM 855 CG LEU A 60 5.270 0.610 -9.638 1.00 0.00 C ATOM 856 CD1 LEU A 60 4.385 1.846 -9.586 1.00 0.00 C ATOM 857 CD2 LEU A 60 6.150 0.530 -8.399 1.00 0.00 C ATOM 0 H LEU A 60 5.998 -0.803 -11.657 1.00 0.00 H new ATOM 0 HA LEU A 60 5.820 -2.201 -9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.676 -0.485 -10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.874 -0.801 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 60 5.915 0.686 -10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.008 2.736 -9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.797 1.912 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.715 1.778 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.749 1.437 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.523 0.430 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.810 -0.334 -8.476 1.00 0.00 H new ATOM 869 N PRO A 61 3.957 -3.878 -9.264 1.00 0.00 N ATOM 870 CA PRO A 61 3.033 -5.015 -9.317 1.00 0.00 C ATOM 871 C PRO A 61 1.577 -4.574 -9.430 1.00 0.00 C ATOM 872 O PRO A 61 1.029 -3.971 -8.507 1.00 0.00 O ATOM 873 CB PRO A 61 3.274 -5.729 -7.985 1.00 0.00 C ATOM 874 CG PRO A 61 3.787 -4.669 -7.073 1.00 0.00 C ATOM 875 CD PRO A 61 4.578 -3.727 -7.938 1.00 0.00 C ATOM 0 HA PRO A 61 3.208 -5.643 -10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.354 -6.171 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.995 -6.539 -8.095 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.967 -4.149 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.412 -5.097 -6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.512 -2.700 -7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.635 -3.991 -7.957 1.00 0.00 H new ATOM 883 N GLU A 62 0.957 -4.880 -10.565 1.00 0.00 N ATOM 884 CA GLU A 62 -0.435 -4.514 -10.797 1.00 0.00 C ATOM 885 C GLU A 62 -1.247 -4.621 -9.509 1.00 0.00 C ATOM 886 O GLU A 62 -1.908 -3.667 -9.098 1.00 0.00 O ATOM 887 CB GLU A 62 -1.048 -5.410 -11.875 1.00 0.00 C ATOM 888 CG GLU A 62 -2.446 -4.988 -12.294 1.00 0.00 C ATOM 889 CD GLU A 62 -2.752 -5.335 -13.738 1.00 0.00 C ATOM 890 OE1 GLU A 62 -2.002 -4.886 -14.629 1.00 0.00 O ATOM 891 OE2 GLU A 62 -3.743 -6.058 -13.977 1.00 0.00 O ATOM 0 H GLU A 62 1.396 -5.380 -11.338 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.460 -3.479 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.399 -5.407 -12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.082 -6.435 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.177 -5.471 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.555 -3.913 -12.152 1.00 0.00 H new ATOM 898 N SER A 63 -1.192 -5.789 -8.877 1.00 0.00 N ATOM 899 CA SER A 63 -1.926 -6.023 -7.639 1.00 0.00 C ATOM 900 C SER A 63 -0.989 -6.505 -6.535 1.00 0.00 C ATOM 901 O SER A 63 -0.471 -7.621 -6.588 1.00 0.00 O ATOM 902 CB SER A 63 -3.036 -7.051 -7.865 1.00 0.00 C ATOM 903 OG SER A 63 -4.225 -6.426 -8.316 1.00 0.00 O ATOM 0 H SER A 63 -0.647 -6.588 -9.202 1.00 0.00 H new ATOM 0 HA SER A 63 -2.373 -5.079 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.709 -7.789 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.233 -7.588 -6.937 1.00 0.00 H new ATOM 0 HG SER A 63 -4.919 -7.104 -8.455 1.00 0.00 H new ATOM 909 N PHE A 64 -0.775 -5.656 -5.536 1.00 0.00 N ATOM 910 CA PHE A 64 0.100 -5.993 -4.420 1.00 0.00 C ATOM 911 C PHE A 64 -0.689 -6.077 -3.116 1.00 0.00 C ATOM 912 O PHE A 64 -1.821 -5.602 -3.032 1.00 0.00 O ATOM 913 CB PHE A 64 1.216 -4.955 -4.287 1.00 0.00 C ATOM 914 CG PHE A 64 2.151 -5.222 -3.142 1.00 0.00 C ATOM 915 CD1 PHE A 64 2.839 -6.421 -3.057 1.00 0.00 C ATOM 916 CD2 PHE A 64 2.340 -4.273 -2.149 1.00 0.00 C ATOM 917 CE1 PHE A 64 3.700 -6.670 -2.005 1.00 0.00 C ATOM 918 CE2 PHE A 64 3.199 -4.516 -1.095 1.00 0.00 C ATOM 919 CZ PHE A 64 3.879 -5.716 -1.022 1.00 0.00 C ATOM 0 H PHE A 64 -1.196 -4.729 -5.476 1.00 0.00 H new ATOM 0 HA PHE A 64 0.543 -6.969 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.788 -4.928 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.770 -3.969 -4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.701 -7.171 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.810 -3.334 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.232 -7.608 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.339 -3.768 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.550 -5.908 -0.198 1.00 0.00 H new ATOM 929 N TYR A 65 -0.082 -6.686 -2.103 1.00 0.00 N ATOM 930 CA TYR A 65 -0.728 -6.835 -0.804 1.00 0.00 C ATOM 931 C TYR A 65 0.306 -6.873 0.317 1.00 0.00 C ATOM 932 O TYR A 65 1.094 -7.814 0.420 1.00 0.00 O ATOM 933 CB TYR A 65 -1.574 -8.109 -0.776 1.00 0.00 C ATOM 934 CG TYR A 65 -2.949 -7.936 -1.380 1.00 0.00 C ATOM 935 CD1 TYR A 65 -3.799 -6.927 -0.945 1.00 0.00 C ATOM 936 CD2 TYR A 65 -3.400 -8.782 -2.386 1.00 0.00 C ATOM 937 CE1 TYR A 65 -5.056 -6.765 -1.493 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.655 -8.627 -2.941 1.00 0.00 C ATOM 939 CZ TYR A 65 -5.480 -7.617 -2.492 1.00 0.00 C ATOM 940 OH TYR A 65 -6.731 -7.461 -3.041 1.00 0.00 O ATOM 0 H TYR A 65 0.856 -7.084 -2.156 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.376 -5.973 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.047 -8.897 -1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.679 -8.443 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.471 -6.257 -0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.758 -9.575 -2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.704 -5.976 -1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.989 -9.293 -3.723 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.872 -8.142 -3.732 1.00 0.00 H new ATOM 950 N CYS A 66 0.296 -5.843 1.157 1.00 0.00 N ATOM 951 CA CYS A 66 1.231 -5.756 2.272 1.00 0.00 C ATOM 952 C CYS A 66 1.292 -7.076 3.035 1.00 0.00 C ATOM 953 O CYS A 66 0.539 -8.006 2.747 1.00 0.00 O ATOM 954 CB CYS A 66 0.825 -4.625 3.218 1.00 0.00 C ATOM 955 SG CYS A 66 -0.659 -4.984 4.212 1.00 0.00 S ATOM 0 H CYS A 66 -0.350 -5.057 1.086 1.00 0.00 H new ATOM 0 HA CYS A 66 2.221 -5.544 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.656 -4.412 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.648 -3.722 2.633 1.00 0.00 H new ATOM 960 N GLU A 67 2.194 -7.149 4.009 1.00 0.00 N ATOM 961 CA GLU A 67 2.353 -8.355 4.813 1.00 0.00 C ATOM 962 C GLU A 67 1.088 -8.644 5.617 1.00 0.00 C ATOM 963 O GLU A 67 0.776 -9.799 5.910 1.00 0.00 O ATOM 964 CB GLU A 67 3.548 -8.212 5.757 1.00 0.00 C ATOM 965 CG GLU A 67 3.404 -7.074 6.754 1.00 0.00 C ATOM 966 CD GLU A 67 3.685 -5.718 6.137 1.00 0.00 C ATOM 967 OE1 GLU A 67 4.697 -5.593 5.415 1.00 0.00 O ATOM 968 OE2 GLU A 67 2.893 -4.782 6.375 1.00 0.00 O ATOM 0 H GLU A 67 2.825 -6.388 4.260 1.00 0.00 H new ATOM 0 HA GLU A 67 2.532 -9.190 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.683 -9.146 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.450 -8.054 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.394 -7.080 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.087 -7.238 7.588 1.00 0.00 H new ATOM 975 N ILE A 68 0.365 -7.587 5.971 1.00 0.00 N ATOM 976 CA ILE A 68 -0.866 -7.727 6.740 1.00 0.00 C ATOM 977 C ILE A 68 -1.990 -8.294 5.880 1.00 0.00 C ATOM 978 O ILE A 68 -2.868 -9.002 6.374 1.00 0.00 O ATOM 979 CB ILE A 68 -1.317 -6.378 7.329 1.00 0.00 C ATOM 980 CG1 ILE A 68 -0.172 -5.728 8.109 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.532 -6.571 8.225 1.00 0.00 C ATOM 982 CD1 ILE A 68 -0.269 -4.221 8.182 1.00 0.00 C ATOM 0 H ILE A 68 0.610 -6.625 5.738 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.652 -8.418 7.556 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.595 -5.716 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.157 -6.132 9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.775 -6.001 7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.839 -5.608 8.634 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.350 -6.995 7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.278 -7.248 9.041 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.575 -3.829 8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.253 -3.806 7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.199 -3.940 8.675 1.00 0.00 H new ATOM 994 N CYS A 69 -1.956 -7.982 4.589 1.00 0.00 N ATOM 995 CA CYS A 69 -2.970 -8.461 3.658 1.00 0.00 C ATOM 996 C CYS A 69 -2.695 -9.906 3.250 1.00 0.00 C ATOM 997 O CYS A 69 -3.599 -10.742 3.241 1.00 0.00 O ATOM 998 CB CYS A 69 -3.015 -7.569 2.416 1.00 0.00 C ATOM 999 SG CYS A 69 -3.922 -6.007 2.655 1.00 0.00 S ATOM 0 H CYS A 69 -1.236 -7.398 4.163 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.936 -8.421 4.161 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.994 -7.341 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.477 -8.124 1.600 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.442 -10.191 2.914 1.00 0.00 N ATOM 1005 CA ARG A 70 -1.047 -11.534 2.505 1.00 0.00 C ATOM 1006 C ARG A 70 -1.337 -12.546 3.610 1.00 0.00 C ATOM 1007 O ARG A 70 -1.883 -13.620 3.355 1.00 0.00 O ATOM 1008 CB ARG A 70 0.440 -11.565 2.147 1.00 0.00 C ATOM 1009 CG ARG A 70 1.358 -11.538 3.357 1.00 0.00 C ATOM 1010 CD ARG A 70 2.822 -11.592 2.947 1.00 0.00 C ATOM 1011 NE ARG A 70 3.302 -12.965 2.813 1.00 0.00 N ATOM 1012 CZ ARG A 70 3.573 -13.754 3.847 1.00 0.00 C ATOM 1013 NH1 ARG A 70 3.411 -13.308 5.085 1.00 0.00 N ATOM 1014 NH2 ARG A 70 4.006 -14.991 3.643 1.00 0.00 N ATOM 0 H ARG A 70 -0.682 -9.510 2.917 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.631 -11.805 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.646 -12.463 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.669 -10.712 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.174 -10.632 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.130 -12.383 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.953 -11.068 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.426 -11.067 3.688 1.00 0.00 H new ATOM 0 HE ARG A 70 3.437 -13.339 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.078 -12.357 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.620 -13.916 5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.131 -15.337 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.214 -15.596 4.437 1.00 0.00 H new ATOM 1028 N LEU A 71 -0.967 -12.197 4.837 1.00 0.00 N ATOM 1029 CA LEU A 71 -1.186 -13.074 5.981 1.00 0.00 C ATOM 1030 C LEU A 71 -2.657 -13.462 6.096 1.00 0.00 C ATOM 1031 O LEU A 71 -2.987 -14.585 6.480 1.00 0.00 O ATOM 1032 CB LEU A 71 -0.724 -12.390 7.269 1.00 0.00 C ATOM 1033 CG LEU A 71 -1.791 -11.603 8.031 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -2.643 -12.538 8.876 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -1.146 -10.534 8.900 1.00 0.00 C ATOM 0 H LEU A 71 -0.514 -11.312 5.065 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.601 -13.981 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.317 -13.151 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.093 -11.712 7.024 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.439 -11.111 7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.397 -11.960 9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.135 -13.266 8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.009 -13.059 9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.920 -9.984 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.474 -11.005 9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.581 -9.846 8.271 1.00 0.00 H new ATOM 1047 N THR A 72 -3.538 -12.525 5.760 1.00 0.00 N ATOM 1048 CA THR A 72 -4.974 -12.768 5.824 1.00 0.00 C ATOM 1049 C THR A 72 -5.461 -13.517 4.589 1.00 0.00 C ATOM 1050 O THR A 72 -6.274 -14.436 4.689 1.00 0.00 O ATOM 1051 CB THR A 72 -5.762 -11.451 5.956 1.00 0.00 C ATOM 1052 OG1 THR A 72 -5.311 -10.511 4.974 1.00 0.00 O ATOM 1053 CG2 THR A 72 -5.596 -10.858 7.347 1.00 0.00 C ATOM 0 H THR A 72 -3.282 -11.591 5.441 1.00 0.00 H new ATOM 0 HA THR A 72 -5.151 -13.379 6.709 1.00 0.00 H new ATOM 0 HB THR A 72 -6.818 -11.667 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.630 -10.931 4.408 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.161 -9.929 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.966 -11.564 8.090 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.541 -10.656 7.533 1.00 0.00 H new ATOM 1061 N SER A 73 -4.958 -13.119 3.425 1.00 0.00 N ATOM 1062 CA SER A 73 -5.344 -13.752 2.169 1.00 0.00 C ATOM 1063 C SER A 73 -4.798 -15.174 2.086 1.00 0.00 C ATOM 1064 O SER A 73 -3.615 -15.382 1.824 1.00 0.00 O ATOM 1065 CB SER A 73 -4.838 -12.929 0.982 1.00 0.00 C ATOM 1066 OG SER A 73 -5.689 -11.825 0.727 1.00 0.00 O ATOM 0 H SER A 73 -4.282 -12.361 3.325 1.00 0.00 H new ATOM 0 HA SER A 73 -6.432 -13.797 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.828 -12.574 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.781 -13.561 0.095 1.00 0.00 H new ATOM 0 HG SER A 73 -5.343 -11.314 -0.035 1.00 0.00 H new ATOM 1072 N GLY A 74 -5.672 -16.151 2.312 1.00 0.00 N ATOM 1073 CA GLY A 74 -5.260 -17.541 2.259 1.00 0.00 C ATOM 1074 C GLY A 74 -4.458 -17.955 3.477 1.00 0.00 C ATOM 1075 O GLY A 74 -3.416 -17.376 3.786 1.00 0.00 O ATOM 0 H GLY A 74 -6.657 -16.004 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.142 -18.175 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.663 -17.706 1.362 1.00 0.00 H new ATOM 1079 N PRO A 75 -4.946 -18.980 4.191 1.00 0.00 N ATOM 1080 CA PRO A 75 -4.283 -19.493 5.394 1.00 0.00 C ATOM 1081 C PRO A 75 -2.976 -20.210 5.074 1.00 0.00 C ATOM 1082 O PRO A 75 -1.998 -20.097 5.813 1.00 0.00 O ATOM 1083 CB PRO A 75 -5.305 -20.475 5.971 1.00 0.00 C ATOM 1084 CG PRO A 75 -6.120 -20.905 4.800 1.00 0.00 C ATOM 1085 CD PRO A 75 -6.182 -19.717 3.880 1.00 0.00 C ATOM 0 HA PRO A 75 -4.007 -18.692 6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.814 -21.325 6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.925 -20.000 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.666 -21.761 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -7.119 -21.210 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.216 -20.020 2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.069 -19.111 4.065 1.00 0.00 H new ATOM 1093 N SER A 76 -2.966 -20.948 3.969 1.00 0.00 N ATOM 1094 CA SER A 76 -1.780 -21.687 3.553 1.00 0.00 C ATOM 1095 C SER A 76 -1.854 -22.043 2.071 1.00 0.00 C ATOM 1096 O SER A 76 -2.733 -22.791 1.644 1.00 0.00 O ATOM 1097 CB SER A 76 -1.627 -22.960 4.388 1.00 0.00 C ATOM 1098 OG SER A 76 -0.297 -23.444 4.341 1.00 0.00 O ATOM 0 H SER A 76 -3.767 -21.050 3.345 1.00 0.00 H new ATOM 0 HA SER A 76 -0.910 -21.050 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.907 -22.756 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.309 -23.725 4.018 1.00 0.00 H new ATOM 0 HG SER A 76 -0.225 -24.257 4.884 1.00 0.00 H new ATOM 1104 N SER A 77 -0.922 -21.502 1.292 1.00 0.00 N ATOM 1105 CA SER A 77 -0.883 -21.759 -0.143 1.00 0.00 C ATOM 1106 C SER A 77 0.330 -22.610 -0.509 1.00 0.00 C ATOM 1107 O SER A 77 1.406 -22.086 -0.793 1.00 0.00 O ATOM 1108 CB SER A 77 -0.848 -20.440 -0.917 1.00 0.00 C ATOM 1109 OG SER A 77 -1.123 -20.649 -2.292 1.00 0.00 O ATOM 0 H SER A 77 -0.185 -20.884 1.630 1.00 0.00 H new ATOM 0 HA SER A 77 -1.785 -22.307 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.579 -19.749 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.131 -19.975 -0.805 1.00 0.00 H new ATOM 0 HG SER A 77 -1.096 -19.791 -2.765 1.00 0.00 H new ATOM 1115 N GLY A 78 0.146 -23.926 -0.500 1.00 0.00 N ATOM 1116 CA GLY A 78 1.232 -24.830 -0.832 1.00 0.00 C ATOM 1117 C GLY A 78 0.911 -25.709 -2.024 1.00 0.00 C ATOM 1118 O GLY A 78 1.828 -26.279 -2.612 1.00 0.00 O ATOM 0 H GLY A 78 -0.736 -24.383 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.131 -24.251 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.453 -25.459 0.030 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 10.365 0.267 4.638 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.560 -4.180 3.141 1.00 0.00 ZN