USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 68 CYS SG : rot 124:sc= 1.08 USER MOD Set 1.3: A 74 THR OG1 : rot 100:sc= 0.82 USER MOD Set 2.1: A 38 SER OG : rot -87:sc= -1.14! USER MOD Set 2.2: A 40 CYS SG : rot -113:sc= -1.5! USER MOD Set 2.3: A 42 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 3 THR OG1 : rot -25:sc= 0.417 USER MOD Single : A 8 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.035) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.0168 (180deg=-0.136) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 159:sc= -2.55! USER MOD Single : A 84 HIS : no HD1:sc= -2.42 X(o=-2.4,f=-2.5) USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.0267 (180deg=-0.162) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -15.935 -3.275 2.448 1.00 0.00 N ATOM 36 CA THR A 3 -14.556 -2.814 2.780 1.00 0.00 C ATOM 37 C THR A 3 -13.536 -3.695 2.048 1.00 0.00 C ATOM 38 O THR A 3 -13.853 -4.782 1.608 1.00 0.00 O ATOM 39 CB THR A 3 -14.428 -2.997 4.294 1.00 0.00 C ATOM 40 OG1 THR A 3 -14.952 -4.264 4.662 1.00 0.00 O ATOM 41 CG2 THR A 3 -15.203 -1.891 5.013 1.00 0.00 C ATOM 0 HA THR A 3 -14.375 -1.781 2.482 1.00 0.00 H new ATOM 0 HB THR A 3 -13.377 -2.942 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.612 -4.550 3.997 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.110 -2.024 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.797 -0.920 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.255 -1.941 4.730 1.00 0.00 H new ATOM 49 N ALA A 4 -12.303 -3.275 1.970 1.00 0.00 N ATOM 50 CA ALA A 4 -11.266 -4.139 1.334 1.00 0.00 C ATOM 51 C ALA A 4 -10.069 -4.296 2.274 1.00 0.00 C ATOM 52 O ALA A 4 -9.780 -3.422 3.067 1.00 0.00 O ATOM 53 CB ALA A 4 -10.859 -3.402 0.058 1.00 0.00 C ATOM 0 H ALA A 4 -11.969 -2.376 2.317 1.00 0.00 H new ATOM 0 HA ALA A 4 -11.636 -5.141 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.096 -3.977 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.730 -3.281 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -10.460 -2.421 0.316 1.00 0.00 H new ATOM 59 N ALA A 5 -9.374 -5.403 2.198 1.00 0.00 N ATOM 60 CA ALA A 5 -8.203 -5.615 3.096 1.00 0.00 C ATOM 61 C ALA A 5 -6.941 -5.074 2.429 1.00 0.00 C ATOM 62 O ALA A 5 -6.679 -5.353 1.278 1.00 0.00 O ATOM 63 CB ALA A 5 -8.106 -7.130 3.276 1.00 0.00 C ATOM 0 H ALA A 5 -9.569 -6.168 1.552 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.312 -5.102 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.264 -7.366 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.027 -7.503 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.957 -7.603 2.305 1.00 0.00 H new ATOM 69 N ALA A 6 -6.276 -4.150 3.063 1.00 0.00 N ATOM 70 CA ALA A 6 -5.180 -3.432 2.352 1.00 0.00 C ATOM 71 C ALA A 6 -3.902 -3.373 3.196 1.00 0.00 C ATOM 72 O ALA A 6 -3.894 -2.852 4.293 1.00 0.00 O ATOM 73 CB ALA A 6 -5.730 -2.025 2.126 1.00 0.00 C ATOM 0 H ALA A 6 -6.439 -3.863 4.028 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.905 -3.936 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.986 -1.423 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.637 -2.081 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.960 -1.566 3.087 1.00 0.00 H new ATOM 79 N LEU A 7 -2.792 -3.709 2.597 1.00 0.00 N ATOM 80 CA LEU A 7 -1.477 -3.456 3.254 1.00 0.00 C ATOM 81 C LEU A 7 -0.862 -2.186 2.664 1.00 0.00 C ATOM 82 O LEU A 7 -0.862 -2.001 1.465 1.00 0.00 O ATOM 83 CB LEU A 7 -0.621 -4.670 2.898 1.00 0.00 C ATOM 84 CG LEU A 7 -1.303 -5.944 3.398 1.00 0.00 C ATOM 85 CD1 LEU A 7 -0.487 -7.164 2.964 1.00 0.00 C ATOM 86 CD2 LEU A 7 -1.395 -5.905 4.923 1.00 0.00 C ATOM 0 H LEU A 7 -2.739 -4.149 1.678 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.559 -3.320 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.477 -4.722 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.368 -4.575 3.347 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.306 -6.011 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.973 -8.072 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.422 -7.190 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.516 -7.100 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.881 -6.812 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.393 -5.839 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.977 -5.036 5.230 1.00 0.00 H new ATOM 98 N HIS A 8 -0.354 -1.300 3.478 1.00 0.00 N ATOM 99 CA HIS A 8 0.229 -0.043 2.911 1.00 0.00 C ATOM 100 C HIS A 8 1.642 0.197 3.442 1.00 0.00 C ATOM 101 O HIS A 8 1.849 0.351 4.629 1.00 0.00 O ATOM 102 CB HIS A 8 -0.697 1.096 3.359 1.00 0.00 C ATOM 103 CG HIS A 8 -2.065 0.916 2.765 1.00 0.00 C ATOM 104 ND1 HIS A 8 -3.201 1.454 3.350 1.00 0.00 N ATOM 105 CD2 HIS A 8 -2.498 0.272 1.635 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.251 1.125 2.576 1.00 0.00 C ATOM 107 NE2 HIS A 8 -3.878 0.404 1.517 1.00 0.00 N ATOM 0 H HIS A 8 -0.316 -1.386 4.494 1.00 0.00 H new ATOM 0 HA HIS A 8 0.302 -0.107 1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.764 1.113 4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.282 2.055 3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.863 -0.258 0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.271 1.410 2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.476 0.030 0.780 1.00 0.00 H new ATOM 115 N ILE A 9 2.569 0.447 2.559 1.00 0.00 N ATOM 116 CA ILE A 9 3.905 0.930 3.009 1.00 0.00 C ATOM 117 C ILE A 9 4.156 2.337 2.463 1.00 0.00 C ATOM 118 O ILE A 9 4.036 2.581 1.278 1.00 0.00 O ATOM 119 CB ILE A 9 4.919 -0.051 2.424 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.635 -1.460 2.947 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.331 0.374 2.835 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.576 -2.454 2.263 1.00 0.00 C ATOM 0 H ILE A 9 2.461 0.339 1.551 1.00 0.00 H new ATOM 0 HA ILE A 9 3.977 0.979 4.096 1.00 0.00 H new ATOM 0 HB ILE A 9 4.839 -0.050 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.775 -1.494 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.597 -1.730 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.057 -0.325 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.534 1.376 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.409 0.374 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.376 -3.459 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.414 -2.426 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.610 -2.186 2.482 1.00 0.00 H new ATOM 134 N LEU A 10 4.523 3.258 3.310 1.00 0.00 N ATOM 135 CA LEU A 10 4.806 4.640 2.829 1.00 0.00 C ATOM 136 C LEU A 10 6.314 4.898 2.843 1.00 0.00 C ATOM 137 O LEU A 10 6.962 4.797 3.865 1.00 0.00 O ATOM 138 CB LEU A 10 4.082 5.565 3.815 1.00 0.00 C ATOM 139 CG LEU A 10 4.323 7.044 3.454 1.00 0.00 C ATOM 140 CD1 LEU A 10 5.645 7.510 4.067 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.370 7.227 1.932 1.00 0.00 C ATOM 0 H LEU A 10 4.639 3.114 4.313 1.00 0.00 H new ATOM 0 HA LEU A 10 4.466 4.803 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.013 5.352 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.434 5.371 4.828 1.00 0.00 H new ATOM 0 HG LEU A 10 3.502 7.640 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.816 8.556 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.601 7.403 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.461 6.903 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.541 8.278 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.180 6.626 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.423 6.908 1.498 1.00 0.00 H new ATOM 153 N VAL A 11 6.881 5.200 1.708 1.00 0.00 N ATOM 154 CA VAL A 11 8.357 5.428 1.652 1.00 0.00 C ATOM 155 C VAL A 11 8.657 6.917 1.483 1.00 0.00 C ATOM 156 O VAL A 11 8.233 7.544 0.533 1.00 0.00 O ATOM 157 CB VAL A 11 8.863 4.655 0.430 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.356 4.371 0.599 1.00 0.00 C ATOM 159 CG2 VAL A 11 8.108 3.330 0.291 1.00 0.00 C ATOM 0 H VAL A 11 6.391 5.299 0.819 1.00 0.00 H new ATOM 0 HA VAL A 11 8.842 5.094 2.569 1.00 0.00 H new ATOM 0 HB VAL A 11 8.695 5.254 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.722 3.821 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.898 5.313 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.514 3.777 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.477 2.791 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.265 2.726 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.043 3.529 0.171 1.00 0.00 H new ATOM 169 N LYS A 12 9.451 7.464 2.355 1.00 0.00 N ATOM 170 CA LYS A 12 9.862 8.887 2.206 1.00 0.00 C ATOM 171 C LYS A 12 10.811 9.050 1.011 1.00 0.00 C ATOM 172 O LYS A 12 10.828 10.076 0.360 1.00 0.00 O ATOM 173 CB LYS A 12 10.574 9.234 3.514 1.00 0.00 C ATOM 174 CG LYS A 12 9.551 9.289 4.653 1.00 0.00 C ATOM 175 CD LYS A 12 10.262 9.636 5.963 1.00 0.00 C ATOM 176 CE LYS A 12 9.236 9.713 7.095 1.00 0.00 C ATOM 177 NZ LYS A 12 9.525 11.006 7.779 1.00 0.00 N ATOM 0 H LYS A 12 9.836 6.986 3.170 1.00 0.00 H new ATOM 0 HA LYS A 12 9.011 9.543 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.339 8.489 3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.082 10.194 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.787 10.034 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.043 8.329 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.015 8.882 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.784 10.588 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.217 9.688 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.338 8.871 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.863 11.136 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.500 10.997 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.414 11.789 7.103 1.00 0.00 H new ATOM 191 N GLU A 13 11.683 8.102 0.798 1.00 0.00 N ATOM 192 CA GLU A 13 12.725 8.268 -0.261 1.00 0.00 C ATOM 193 C GLU A 13 12.415 7.394 -1.480 1.00 0.00 C ATOM 194 O GLU A 13 12.111 6.224 -1.358 1.00 0.00 O ATOM 195 CB GLU A 13 14.022 7.815 0.403 1.00 0.00 C ATOM 196 CG GLU A 13 14.433 8.844 1.454 1.00 0.00 C ATOM 197 CD GLU A 13 15.580 8.286 2.298 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.721 8.475 1.912 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.296 7.681 3.319 1.00 0.00 O ATOM 0 H GLU A 13 11.721 7.220 1.310 1.00 0.00 H new ATOM 0 HA GLU A 13 12.777 9.294 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.885 6.838 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.808 7.706 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.742 9.770 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.583 9.086 2.092 1.00 0.00 H new ATOM 206 N GLU A 14 12.573 7.935 -2.656 1.00 0.00 N ATOM 207 CA GLU A 14 12.381 7.114 -3.889 1.00 0.00 C ATOM 208 C GLU A 14 13.363 5.939 -3.903 1.00 0.00 C ATOM 209 O GLU A 14 13.025 4.842 -4.304 1.00 0.00 O ATOM 210 CB GLU A 14 12.665 8.060 -5.058 1.00 0.00 C ATOM 211 CG GLU A 14 11.507 9.050 -5.220 1.00 0.00 C ATOM 212 CD GLU A 14 11.801 9.989 -6.391 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.919 9.963 -6.880 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.904 10.719 -6.779 1.00 0.00 O ATOM 0 H GLU A 14 12.827 8.909 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 14 11.377 6.693 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.595 8.600 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.797 7.488 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.576 8.512 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.374 9.625 -4.303 1.00 0.00 H new ATOM 221 N LYS A 15 14.581 6.163 -3.489 1.00 0.00 N ATOM 222 CA LYS A 15 15.587 5.062 -3.505 1.00 0.00 C ATOM 223 C LYS A 15 15.071 3.869 -2.699 1.00 0.00 C ATOM 224 O LYS A 15 15.182 2.732 -3.114 1.00 0.00 O ATOM 225 CB LYS A 15 16.830 5.648 -2.836 1.00 0.00 C ATOM 226 CG LYS A 15 17.432 6.738 -3.723 1.00 0.00 C ATOM 227 CD LYS A 15 18.675 7.314 -3.039 1.00 0.00 C ATOM 228 CE LYS A 15 19.288 8.406 -3.916 1.00 0.00 C ATOM 229 NZ LYS A 15 20.047 9.271 -2.969 1.00 0.00 N ATOM 0 H LYS A 15 14.923 7.059 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 15 15.793 4.708 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.569 6.062 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.565 4.862 -2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.696 6.326 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.700 7.527 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.408 7.724 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.404 6.523 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.943 7.982 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.518 8.973 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.499 10.047 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.396 9.665 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.777 8.705 -2.491 1.00 0.00 H new ATOM 243 N LEU A 16 14.517 4.118 -1.544 1.00 0.00 N ATOM 244 CA LEU A 16 14.010 2.992 -0.710 1.00 0.00 C ATOM 245 C LEU A 16 12.791 2.353 -1.381 1.00 0.00 C ATOM 246 O LEU A 16 12.667 1.146 -1.442 1.00 0.00 O ATOM 247 CB LEU A 16 13.624 3.624 0.626 1.00 0.00 C ATOM 248 CG LEU A 16 13.389 2.521 1.660 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.576 3.093 3.066 1.00 0.00 C ATOM 250 CD2 LEU A 16 11.968 1.975 1.515 1.00 0.00 C ATOM 0 H LEU A 16 14.394 5.048 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 16 14.752 2.204 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.414 4.294 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.723 4.226 0.509 1.00 0.00 H new ATOM 0 HG LEU A 16 14.104 1.714 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.409 2.308 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.590 3.478 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.862 3.901 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.803 1.190 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.251 2.780 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.836 1.566 0.513 1.00 0.00 H new ATOM 262 N ALA A 17 11.929 3.151 -1.952 1.00 0.00 N ATOM 263 CA ALA A 17 10.770 2.578 -2.691 1.00 0.00 C ATOM 264 C ALA A 17 11.280 1.664 -3.804 1.00 0.00 C ATOM 265 O ALA A 17 10.855 0.532 -3.933 1.00 0.00 O ATOM 266 CB ALA A 17 10.034 3.783 -3.278 1.00 0.00 C ATOM 0 H ALA A 17 11.978 4.170 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 17 10.117 1.983 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.165 3.440 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.709 4.440 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.703 4.329 -3.943 1.00 0.00 H new ATOM 272 N LEU A 18 12.307 2.080 -4.492 1.00 0.00 N ATOM 273 CA LEU A 18 12.972 1.159 -5.454 1.00 0.00 C ATOM 274 C LEU A 18 13.495 -0.066 -4.704 1.00 0.00 C ATOM 275 O LEU A 18 13.272 -1.192 -5.100 1.00 0.00 O ATOM 276 CB LEU A 18 14.132 1.968 -6.038 1.00 0.00 C ATOM 277 CG LEU A 18 13.801 2.374 -7.476 1.00 0.00 C ATOM 278 CD1 LEU A 18 13.186 3.774 -7.483 1.00 0.00 C ATOM 279 CD2 LEU A 18 15.084 2.377 -8.311 1.00 0.00 C ATOM 0 H LEU A 18 12.713 3.014 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 18 12.298 0.802 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.312 2.855 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.048 1.377 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 18 13.091 1.664 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.950 4.063 -8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.273 3.773 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.895 4.485 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.851 2.666 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.793 3.088 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.523 1.380 -8.306 1.00 0.00 H new ATOM 291 N ASP A 19 14.130 0.148 -3.584 1.00 0.00 N ATOM 292 CA ASP A 19 14.599 -1.001 -2.762 1.00 0.00 C ATOM 293 C ASP A 19 13.408 -1.867 -2.339 1.00 0.00 C ATOM 294 O ASP A 19 13.456 -3.079 -2.407 1.00 0.00 O ATOM 295 CB ASP A 19 15.264 -0.366 -1.540 1.00 0.00 C ATOM 296 CG ASP A 19 15.828 -1.463 -0.635 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.402 -2.597 -0.776 1.00 0.00 O ATOM 298 OD2 ASP A 19 16.678 -1.150 0.182 1.00 0.00 O ATOM 0 H ASP A 19 14.344 1.070 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 19 15.285 -1.649 -3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.063 0.305 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.540 0.236 -0.991 1.00 0.00 H new ATOM 303 N LEU A 20 12.324 -1.252 -1.939 1.00 0.00 N ATOM 304 CA LEU A 20 11.119 -2.044 -1.556 1.00 0.00 C ATOM 305 C LEU A 20 10.585 -2.792 -2.785 1.00 0.00 C ATOM 306 O LEU A 20 10.272 -3.965 -2.727 1.00 0.00 O ATOM 307 CB LEU A 20 10.121 -0.996 -0.999 1.00 0.00 C ATOM 308 CG LEU A 20 8.840 -0.903 -1.847 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.051 -2.209 -1.735 1.00 0.00 C ATOM 310 CD2 LEU A 20 7.977 0.253 -1.343 1.00 0.00 C ATOM 0 H LEU A 20 12.222 -0.240 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 20 11.316 -2.813 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.858 -1.257 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.604 -0.019 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 20 9.111 -0.731 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.145 -2.139 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.663 -3.036 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.782 -2.384 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.070 0.319 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.710 0.080 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.535 1.186 -1.425 1.00 0.00 H new ATOM 322 N LEU A 21 10.463 -2.109 -3.887 1.00 0.00 N ATOM 323 CA LEU A 21 9.930 -2.760 -5.114 1.00 0.00 C ATOM 324 C LEU A 21 10.779 -3.982 -5.462 1.00 0.00 C ATOM 325 O LEU A 21 10.272 -5.063 -5.690 1.00 0.00 O ATOM 326 CB LEU A 21 10.053 -1.693 -6.203 1.00 0.00 C ATOM 327 CG LEU A 21 8.835 -0.768 -6.156 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.298 0.680 -5.973 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.055 -0.892 -7.466 1.00 0.00 C ATOM 0 H LEU A 21 10.710 -1.125 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 21 8.903 -3.106 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.966 -1.116 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.126 -2.166 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 21 8.195 -1.051 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.430 1.338 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.856 0.768 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.938 0.966 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.186 -0.234 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.697 -0.608 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.725 -1.923 -7.597 1.00 0.00 H new ATOM 341 N GLU A 22 12.071 -3.824 -5.453 1.00 0.00 N ATOM 342 CA GLU A 22 12.975 -4.977 -5.724 1.00 0.00 C ATOM 343 C GLU A 22 12.769 -6.068 -4.669 1.00 0.00 C ATOM 344 O GLU A 22 12.910 -7.244 -4.944 1.00 0.00 O ATOM 345 CB GLU A 22 14.384 -4.396 -5.625 1.00 0.00 C ATOM 346 CG GLU A 22 14.592 -3.368 -6.740 1.00 0.00 C ATOM 347 CD GLU A 22 16.004 -2.786 -6.641 1.00 0.00 C ATOM 348 OE1 GLU A 22 16.664 -3.051 -5.649 1.00 0.00 O ATOM 349 OE2 GLU A 22 16.400 -2.086 -7.558 1.00 0.00 O ATOM 0 H GLU A 22 12.544 -2.940 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 22 12.787 -5.436 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.528 -3.927 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.124 -5.192 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.448 -3.837 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.852 -2.572 -6.658 1.00 0.00 H new ATOM 356 N GLN A 23 12.590 -5.677 -3.437 1.00 0.00 N ATOM 357 CA GLN A 23 12.554 -6.676 -2.330 1.00 0.00 C ATOM 358 C GLN A 23 11.417 -7.684 -2.542 1.00 0.00 C ATOM 359 O GLN A 23 11.591 -8.872 -2.360 1.00 0.00 O ATOM 360 CB GLN A 23 12.300 -5.845 -1.070 1.00 0.00 C ATOM 361 CG GLN A 23 12.486 -6.718 0.172 1.00 0.00 C ATOM 362 CD GLN A 23 13.974 -7.026 0.358 1.00 0.00 C ATOM 363 OE1 GLN A 23 14.748 -6.152 0.694 1.00 0.00 O ATOM 364 NE2 GLN A 23 14.407 -8.239 0.159 1.00 0.00 N ATOM 0 H GLN A 23 12.467 -4.707 -3.148 1.00 0.00 H new ATOM 0 HA GLN A 23 13.475 -7.256 -2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.986 -4.999 -1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.290 -5.436 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.096 -6.206 1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.922 -7.645 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.757 -8.973 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.396 -8.455 0.285 1.00 0.00 H new ATOM 373 N ILE A 24 10.239 -7.216 -2.855 1.00 0.00 N ATOM 374 CA ILE A 24 9.082 -8.149 -2.997 1.00 0.00 C ATOM 375 C ILE A 24 9.277 -9.082 -4.195 1.00 0.00 C ATOM 376 O ILE A 24 8.991 -10.259 -4.127 1.00 0.00 O ATOM 377 CB ILE A 24 7.869 -7.239 -3.202 1.00 0.00 C ATOM 378 CG1 ILE A 24 7.498 -6.590 -1.868 1.00 0.00 C ATOM 379 CG2 ILE A 24 6.676 -8.052 -3.715 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.547 -5.068 -2.007 1.00 0.00 C ATOM 0 H ILE A 24 10.027 -6.232 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 24 8.966 -8.795 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 24 8.119 -6.473 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.500 -6.906 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.187 -6.917 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.820 -7.392 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.935 -8.519 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.423 -8.824 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.282 -4.607 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.553 -4.761 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.840 -4.750 -2.773 1.00 0.00 H new ATOM 392 N LYS A 25 9.721 -8.569 -5.306 1.00 0.00 N ATOM 393 CA LYS A 25 9.879 -9.444 -6.501 1.00 0.00 C ATOM 394 C LYS A 25 10.889 -10.557 -6.205 1.00 0.00 C ATOM 395 O LYS A 25 10.633 -11.719 -6.451 1.00 0.00 O ATOM 396 CB LYS A 25 10.385 -8.520 -7.609 1.00 0.00 C ATOM 397 CG LYS A 25 9.258 -7.569 -8.023 1.00 0.00 C ATOM 398 CD LYS A 25 9.749 -6.637 -9.132 1.00 0.00 C ATOM 399 CE LYS A 25 8.615 -5.692 -9.537 1.00 0.00 C ATOM 400 NZ LYS A 25 9.265 -4.656 -10.389 1.00 0.00 N ATOM 0 H LYS A 25 9.980 -7.591 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 25 8.948 -9.934 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.247 -7.952 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.716 -9.107 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.397 -8.140 -8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.928 -6.985 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.610 -6.064 -8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.078 -7.219 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.836 -6.222 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.142 -5.245 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.551 -3.970 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.998 -4.164 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.701 -5.111 -11.217 1.00 0.00 H new ATOM 414 N ASN A 26 11.991 -10.224 -5.589 1.00 0.00 N ATOM 415 CA ASN A 26 12.960 -11.281 -5.176 1.00 0.00 C ATOM 416 C ASN A 26 12.305 -12.254 -4.197 1.00 0.00 C ATOM 417 O ASN A 26 12.240 -13.443 -4.433 1.00 0.00 O ATOM 418 CB ASN A 26 14.091 -10.532 -4.475 1.00 0.00 C ATOM 419 CG ASN A 26 15.234 -11.503 -4.169 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.761 -11.511 -3.075 1.00 0.00 O ATOM 421 ND2 ASN A 26 15.639 -12.329 -5.094 1.00 0.00 N ATOM 0 H ASN A 26 12.262 -9.269 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 26 13.309 -11.863 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.449 -9.719 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.726 -10.081 -3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.398 -12.981 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.196 -12.322 -6.013 1.00 0.00 H new ATOM 428 N GLY A 27 11.954 -11.768 -3.040 1.00 0.00 N ATOM 429 CA GLY A 27 11.461 -12.672 -1.968 1.00 0.00 C ATOM 430 C GLY A 27 9.945 -12.521 -1.812 1.00 0.00 C ATOM 431 O GLY A 27 9.259 -13.470 -1.490 1.00 0.00 O ATOM 0 H GLY A 27 11.988 -10.779 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.709 -13.706 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.957 -12.437 -1.026 1.00 0.00 H new ATOM 435 N ALA A 28 9.441 -11.318 -2.002 1.00 0.00 N ATOM 436 CA ALA A 28 7.972 -11.027 -1.845 1.00 0.00 C ATOM 437 C ALA A 28 7.652 -10.690 -0.397 1.00 0.00 C ATOM 438 O ALA A 28 8.481 -10.163 0.319 1.00 0.00 O ATOM 439 CB ALA A 28 7.205 -12.274 -2.300 1.00 0.00 C ATOM 0 H ALA A 28 10.000 -10.507 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 28 7.682 -10.167 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.134 -12.099 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.442 -12.487 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.493 -13.124 -1.682 1.00 0.00 H new ATOM 445 N ASP A 29 6.476 -11.049 0.056 1.00 0.00 N ATOM 446 CA ASP A 29 6.105 -10.832 1.491 1.00 0.00 C ATOM 447 C ASP A 29 5.779 -9.358 1.744 1.00 0.00 C ATOM 448 O ASP A 29 6.470 -8.675 2.472 1.00 0.00 O ATOM 449 CB ASP A 29 7.324 -11.275 2.301 1.00 0.00 C ATOM 450 CG ASP A 29 6.895 -12.303 3.350 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.780 -12.196 3.832 1.00 0.00 O ATOM 452 OD2 ASP A 29 7.689 -13.178 3.653 1.00 0.00 O ATOM 0 H ASP A 29 5.750 -11.487 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 29 5.216 -11.397 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.076 -11.706 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.783 -10.414 2.787 1.00 0.00 H new ATOM 457 N PHE A 30 4.730 -8.865 1.145 1.00 0.00 N ATOM 458 CA PHE A 30 4.360 -7.434 1.346 1.00 0.00 C ATOM 459 C PHE A 30 4.084 -7.152 2.827 1.00 0.00 C ATOM 460 O PHE A 30 4.433 -6.109 3.344 1.00 0.00 O ATOM 461 CB PHE A 30 3.086 -7.233 0.520 1.00 0.00 C ATOM 462 CG PHE A 30 3.444 -6.751 -0.868 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.764 -5.401 -1.076 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.454 -7.647 -1.947 1.00 0.00 C ATOM 465 CE1 PHE A 30 4.093 -4.948 -2.361 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.783 -7.194 -3.232 1.00 0.00 C ATOM 467 CZ PHE A 30 4.103 -5.844 -3.440 1.00 0.00 C ATOM 0 H PHE A 30 4.113 -9.390 0.525 1.00 0.00 H new ATOM 0 HA PHE A 30 5.160 -6.760 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.531 -8.169 0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.435 -6.509 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.757 -4.710 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.208 -8.686 -1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.339 -3.909 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.790 -7.885 -4.062 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.357 -5.495 -4.430 1.00 0.00 H new ATOM 477 N GLY A 31 3.401 -8.039 3.497 1.00 0.00 N ATOM 478 CA GLY A 31 3.033 -7.776 4.918 1.00 0.00 C ATOM 479 C GLY A 31 4.294 -7.685 5.782 1.00 0.00 C ATOM 480 O GLY A 31 4.462 -6.763 6.558 1.00 0.00 O ATOM 0 H GLY A 31 3.082 -8.933 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.467 -6.847 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.387 -8.572 5.287 1.00 0.00 H new ATOM 484 N LYS A 32 5.135 -8.682 5.730 1.00 0.00 N ATOM 485 CA LYS A 32 6.322 -8.700 6.636 1.00 0.00 C ATOM 486 C LYS A 32 7.288 -7.567 6.279 1.00 0.00 C ATOM 487 O LYS A 32 7.840 -6.913 7.144 1.00 0.00 O ATOM 488 CB LYS A 32 6.979 -10.059 6.400 1.00 0.00 C ATOM 489 CG LYS A 32 6.072 -11.163 6.948 1.00 0.00 C ATOM 490 CD LYS A 32 6.729 -12.525 6.713 1.00 0.00 C ATOM 491 CE LYS A 32 5.824 -13.628 7.261 1.00 0.00 C ATOM 492 NZ LYS A 32 6.476 -14.900 6.840 1.00 0.00 N ATOM 0 H LYS A 32 5.053 -9.482 5.103 1.00 0.00 H new ATOM 0 HA LYS A 32 6.043 -8.556 7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.153 -10.211 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.952 -10.095 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.898 -11.010 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.099 -11.127 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.903 -12.678 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.702 -12.561 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.739 -13.567 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.815 -13.548 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.914 -15.707 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.537 -14.932 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.433 -14.950 7.245 1.00 0.00 H new ATOM 506 N LEU A 33 7.482 -7.312 5.015 1.00 0.00 N ATOM 507 CA LEU A 33 8.397 -6.205 4.617 1.00 0.00 C ATOM 508 C LEU A 33 7.838 -4.866 5.104 1.00 0.00 C ATOM 509 O LEU A 33 8.560 -4.023 5.596 1.00 0.00 O ATOM 510 CB LEU A 33 8.436 -6.247 3.089 1.00 0.00 C ATOM 511 CG LEU A 33 9.192 -7.497 2.629 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.077 -7.631 1.109 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.665 -7.374 3.022 1.00 0.00 C ATOM 0 H LEU A 33 7.049 -7.819 4.243 1.00 0.00 H new ATOM 0 HA LEU A 33 9.392 -6.314 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.422 -6.255 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.924 -5.352 2.703 1.00 0.00 H new ATOM 0 HG LEU A 33 8.762 -8.379 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.615 -8.520 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.027 -7.718 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.507 -6.750 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.204 -8.263 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.096 -6.493 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.746 -7.278 4.105 1.00 0.00 H new ATOM 525 N ALA A 34 6.550 -4.685 5.007 1.00 0.00 N ATOM 526 CA ALA A 34 5.933 -3.424 5.503 1.00 0.00 C ATOM 527 C ALA A 34 6.203 -3.253 7.000 1.00 0.00 C ATOM 528 O ALA A 34 6.548 -2.183 7.457 1.00 0.00 O ATOM 529 CB ALA A 34 4.435 -3.592 5.248 1.00 0.00 C ATOM 0 H ALA A 34 5.897 -5.358 4.605 1.00 0.00 H new ATOM 0 HA ALA A 34 6.338 -2.543 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.906 -2.701 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.261 -3.733 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.068 -4.462 5.794 1.00 0.00 H new ATOM 535 N LYS A 35 5.982 -4.281 7.774 1.00 0.00 N ATOM 536 CA LYS A 35 6.151 -4.145 9.251 1.00 0.00 C ATOM 537 C LYS A 35 7.590 -3.746 9.596 1.00 0.00 C ATOM 538 O LYS A 35 7.820 -2.918 10.457 1.00 0.00 O ATOM 539 CB LYS A 35 5.830 -5.531 9.814 1.00 0.00 C ATOM 540 CG LYS A 35 4.333 -5.811 9.664 1.00 0.00 C ATOM 541 CD LYS A 35 4.038 -7.254 10.082 1.00 0.00 C ATOM 542 CE LYS A 35 4.093 -7.365 11.607 1.00 0.00 C ATOM 543 NZ LYS A 35 4.008 -8.827 11.891 1.00 0.00 N ATOM 0 H LYS A 35 5.693 -5.204 7.451 1.00 0.00 H new ATOM 0 HA LYS A 35 5.505 -3.372 9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.407 -6.291 9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.117 -5.584 10.864 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.759 -5.118 10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.024 -5.650 8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.055 -7.555 9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.764 -7.930 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.016 -6.940 12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.269 -6.824 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.040 -8.983 12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.116 -9.203 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.809 -9.315 11.442 1.00 0.00 H new ATOM 557 N LYS A 36 8.560 -4.346 8.964 1.00 0.00 N ATOM 558 CA LYS A 36 9.978 -4.016 9.299 1.00 0.00 C ATOM 559 C LYS A 36 10.334 -2.596 8.842 1.00 0.00 C ATOM 560 O LYS A 36 10.920 -1.828 9.580 1.00 0.00 O ATOM 561 CB LYS A 36 10.817 -5.043 8.537 1.00 0.00 C ATOM 562 CG LYS A 36 12.302 -4.790 8.809 1.00 0.00 C ATOM 563 CD LYS A 36 13.145 -5.815 8.048 1.00 0.00 C ATOM 564 CE LYS A 36 14.615 -5.395 8.082 1.00 0.00 C ATOM 565 NZ LYS A 36 15.196 -5.937 6.821 1.00 0.00 N ATOM 0 H LYS A 36 8.436 -5.047 8.234 1.00 0.00 H new ATOM 0 HA LYS A 36 10.155 -4.051 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.546 -6.052 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.615 -4.973 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.572 -3.780 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.503 -4.860 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.028 -6.802 8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.801 -5.890 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.715 -4.311 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.122 -5.801 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.205 -5.690 6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.091 -6.972 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.698 -5.528 6.005 1.00 0.00 H new ATOM 579 N HIS A 37 10.113 -2.292 7.592 1.00 0.00 N ATOM 580 CA HIS A 37 10.584 -0.981 7.048 1.00 0.00 C ATOM 581 C HIS A 37 9.771 0.189 7.616 1.00 0.00 C ATOM 582 O HIS A 37 10.294 1.263 7.837 1.00 0.00 O ATOM 583 CB HIS A 37 10.403 -1.090 5.535 1.00 0.00 C ATOM 584 CG HIS A 37 11.522 -1.918 4.968 1.00 0.00 C ATOM 585 ND1 HIS A 37 11.396 -2.627 3.784 1.00 0.00 N ATOM 586 CD2 HIS A 37 12.800 -2.157 5.413 1.00 0.00 C ATOM 587 CE1 HIS A 37 12.567 -3.253 3.560 1.00 0.00 C ATOM 588 NE2 HIS A 37 13.457 -3.001 4.522 1.00 0.00 N ATOM 0 H HIS A 37 9.628 -2.891 6.924 1.00 0.00 H new ATOM 0 HA HIS A 37 11.620 -0.782 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.441 -1.547 5.303 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.402 -0.098 5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.230 -1.751 6.317 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.762 -3.883 2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.413 -3.351 4.590 1.00 0.00 H new ATOM 596 N SER A 38 8.485 0.030 7.755 1.00 0.00 N ATOM 597 CA SER A 38 7.641 1.179 8.192 1.00 0.00 C ATOM 598 C SER A 38 8.095 1.675 9.567 1.00 0.00 C ATOM 599 O SER A 38 8.258 2.861 9.778 1.00 0.00 O ATOM 600 CB SER A 38 6.221 0.619 8.263 1.00 0.00 C ATOM 601 OG SER A 38 5.304 1.678 8.484 1.00 0.00 O ATOM 0 H SER A 38 7.982 -0.841 7.586 1.00 0.00 H new ATOM 0 HA SER A 38 7.711 2.028 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.977 0.100 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.148 -0.113 9.067 1.00 0.00 H new ATOM 0 HG SER A 38 5.222 1.844 9.446 1.00 0.00 H new ATOM 607 N ILE A 39 8.364 0.773 10.475 1.00 0.00 N ATOM 608 CA ILE A 39 8.885 1.177 11.817 1.00 0.00 C ATOM 609 C ILE A 39 8.206 2.463 12.298 1.00 0.00 C ATOM 610 O ILE A 39 8.815 3.294 12.941 1.00 0.00 O ATOM 611 CB ILE A 39 10.386 1.402 11.611 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.071 1.545 12.972 1.00 0.00 C ATOM 613 CG2 ILE A 39 10.613 2.674 10.791 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.573 1.306 12.812 1.00 0.00 C ATOM 0 H ILE A 39 8.245 -0.232 10.345 1.00 0.00 H new ATOM 0 HA ILE A 39 8.686 0.420 12.576 1.00 0.00 H new ATOM 0 HB ILE A 39 10.807 0.550 11.077 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.891 2.540 13.379 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.651 0.830 13.680 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.682 2.829 10.648 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.128 2.572 9.820 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.191 3.528 11.320 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.063 1.407 13.780 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.742 0.302 12.423 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.986 2.038 12.118 1.00 0.00 H new ATOM 626 N CYS A 40 6.968 2.667 11.934 1.00 0.00 N ATOM 627 CA CYS A 40 6.283 3.937 12.309 1.00 0.00 C ATOM 628 C CYS A 40 4.949 3.639 13.005 1.00 0.00 C ATOM 629 O CYS A 40 4.476 2.520 12.990 1.00 0.00 O ATOM 630 CB CYS A 40 6.055 4.670 10.984 1.00 0.00 C ATOM 631 SG CYS A 40 4.735 3.856 10.048 1.00 0.00 S ATOM 0 H CYS A 40 6.403 2.011 11.395 1.00 0.00 H new ATOM 0 HA CYS A 40 6.871 4.534 13.006 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.789 5.710 11.175 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.975 4.678 10.400 1.00 0.00 H new ATOM 0 HG CYS A 40 5.233 3.316 8.976 1.00 0.00 H new ATOM 637 N PRO A 41 4.403 4.654 13.618 1.00 0.00 N ATOM 638 CA PRO A 41 3.126 4.504 14.360 1.00 0.00 C ATOM 639 C PRO A 41 2.061 3.851 13.472 1.00 0.00 C ATOM 640 O PRO A 41 1.307 3.007 13.916 1.00 0.00 O ATOM 641 CB PRO A 41 2.741 5.937 14.721 1.00 0.00 C ATOM 642 CG PRO A 41 4.022 6.710 14.672 1.00 0.00 C ATOM 643 CD PRO A 41 4.918 6.027 13.673 1.00 0.00 C ATOM 0 HA PRO A 41 3.216 3.865 15.238 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.012 6.338 14.017 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.289 5.986 15.712 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.837 7.743 14.379 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.492 6.737 15.655 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.871 6.511 12.697 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.961 6.050 13.990 1.00 0.00 H new ATOM 651 N SER A 42 2.060 4.152 12.200 1.00 0.00 N ATOM 652 CA SER A 42 1.124 3.451 11.276 1.00 0.00 C ATOM 653 C SER A 42 1.853 2.309 10.572 1.00 0.00 C ATOM 654 O SER A 42 1.357 1.732 9.628 1.00 0.00 O ATOM 655 CB SER A 42 0.670 4.506 10.266 1.00 0.00 C ATOM 656 OG SER A 42 1.597 5.582 10.255 1.00 0.00 O ATOM 0 H SER A 42 2.664 4.849 11.764 1.00 0.00 H new ATOM 0 HA SER A 42 0.274 3.018 11.803 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.597 4.065 9.272 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.323 4.871 10.527 1.00 0.00 H new ATOM 0 HG SER A 42 1.307 6.257 9.607 1.00 0.00 H new ATOM 662 N GLY A 43 2.959 1.886 11.113 1.00 0.00 N ATOM 663 CA GLY A 43 3.622 0.671 10.571 1.00 0.00 C ATOM 664 C GLY A 43 2.858 -0.556 11.070 1.00 0.00 C ATOM 665 O GLY A 43 2.382 -1.363 10.297 1.00 0.00 O ATOM 0 H GLY A 43 3.430 2.327 11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.629 0.697 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.662 0.629 10.896 1.00 0.00 H new ATOM 669 N LYS A 44 2.687 -0.663 12.359 1.00 0.00 N ATOM 670 CA LYS A 44 1.892 -1.793 12.921 1.00 0.00 C ATOM 671 C LYS A 44 0.452 -1.753 12.399 1.00 0.00 C ATOM 672 O LYS A 44 -0.149 -2.776 12.140 1.00 0.00 O ATOM 673 CB LYS A 44 1.916 -1.573 14.433 1.00 0.00 C ATOM 674 CG LYS A 44 3.349 -1.720 14.943 1.00 0.00 C ATOM 675 CD LYS A 44 3.794 -3.175 14.784 1.00 0.00 C ATOM 676 CE LYS A 44 5.244 -3.319 15.251 1.00 0.00 C ATOM 677 NZ LYS A 44 5.736 -4.575 14.612 1.00 0.00 N ATOM 0 H LYS A 44 3.065 -0.015 13.050 1.00 0.00 H new ATOM 0 HA LYS A 44 2.301 -2.763 12.637 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.532 -0.582 14.674 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.266 -2.295 14.927 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.015 -1.061 14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.407 -1.422 15.990 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.146 -3.830 15.367 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.704 -3.482 13.742 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.843 -2.461 14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.304 -3.380 16.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.725 -4.740 14.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.152 -5.376 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.674 -4.486 13.578 1.00 0.00 H new ATOM 691 N ARG A 45 -0.125 -0.586 12.298 1.00 0.00 N ATOM 692 CA ARG A 45 -1.548 -0.498 11.859 1.00 0.00 C ATOM 693 C ARG A 45 -1.620 -0.176 10.361 1.00 0.00 C ATOM 694 O ARG A 45 -2.360 -0.794 9.623 1.00 0.00 O ATOM 695 CB ARG A 45 -2.151 0.628 12.714 1.00 0.00 C ATOM 696 CG ARG A 45 -3.395 1.209 12.033 1.00 0.00 C ATOM 697 CD ARG A 45 -4.549 0.209 12.133 1.00 0.00 C ATOM 698 NE ARG A 45 -5.087 0.389 13.511 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.069 -0.361 13.937 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.584 -1.276 13.160 1.00 0.00 N ATOM 701 NH2 ARG A 45 -6.536 -0.194 15.144 1.00 0.00 N ATOM 0 H ARG A 45 0.325 0.307 12.499 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.093 -1.433 11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.414 0.244 13.699 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.411 1.414 12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.674 2.151 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.180 1.429 10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.312 0.408 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.203 -0.812 11.973 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.688 1.100 14.124 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.220 -1.408 12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.350 -1.859 13.497 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.135 0.520 15.752 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.302 -0.778 15.480 1.00 0.00 H new ATOM 715 N GLY A 46 -0.839 0.765 9.903 1.00 0.00 N ATOM 716 CA GLY A 46 -0.841 1.103 8.451 1.00 0.00 C ATOM 717 C GLY A 46 -0.246 -0.059 7.653 1.00 0.00 C ATOM 718 O GLY A 46 -0.647 -0.330 6.539 1.00 0.00 O ATOM 0 H GLY A 46 -0.198 1.316 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.858 1.305 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.263 2.010 8.278 1.00 0.00 H new ATOM 722 N GLY A 47 0.661 -0.792 8.243 1.00 0.00 N ATOM 723 CA GLY A 47 1.225 -1.984 7.548 1.00 0.00 C ATOM 724 C GLY A 47 0.184 -3.109 7.530 1.00 0.00 C ATOM 725 O GLY A 47 0.411 -4.171 6.985 1.00 0.00 O ATOM 0 H GLY A 47 1.035 -0.616 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.510 -1.722 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.129 -2.320 8.056 1.00 0.00 H new ATOM 729 N ASP A 48 -0.960 -2.878 8.116 1.00 0.00 N ATOM 730 CA ASP A 48 -2.025 -3.917 8.132 1.00 0.00 C ATOM 731 C ASP A 48 -3.304 -3.304 8.699 1.00 0.00 C ATOM 732 O ASP A 48 -3.698 -3.574 9.816 1.00 0.00 O ATOM 733 CB ASP A 48 -1.499 -5.017 9.054 1.00 0.00 C ATOM 734 CG ASP A 48 -2.396 -6.251 8.937 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.512 -6.105 8.467 1.00 0.00 O ATOM 736 OD2 ASP A 48 -1.950 -7.320 9.317 1.00 0.00 O ATOM 0 H ASP A 48 -1.202 -2.007 8.587 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.254 -4.308 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.474 -5.272 8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.480 -4.664 10.085 1.00 0.00 H new ATOM 741 N LEU A 49 -3.893 -2.398 7.968 1.00 0.00 N ATOM 742 CA LEU A 49 -5.079 -1.663 8.493 1.00 0.00 C ATOM 743 C LEU A 49 -6.287 -2.598 8.584 1.00 0.00 C ATOM 744 O LEU A 49 -7.166 -2.411 9.402 1.00 0.00 O ATOM 745 CB LEU A 49 -5.326 -0.531 7.488 1.00 0.00 C ATOM 746 CG LEU A 49 -4.204 0.510 7.597 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.947 1.129 6.224 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.620 1.609 8.576 1.00 0.00 C ATOM 0 H LEU A 49 -3.603 -2.134 7.026 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.915 -1.275 9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.366 -0.933 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.291 -0.062 7.683 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.296 0.026 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.150 1.868 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.651 0.349 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.856 1.612 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.823 2.348 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.529 2.092 8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.805 1.171 9.557 1.00 0.00 H new ATOM 760 N GLY A 50 -6.342 -3.602 7.752 1.00 0.00 N ATOM 761 CA GLY A 50 -7.499 -4.540 7.796 1.00 0.00 C ATOM 762 C GLY A 50 -8.500 -4.161 6.705 1.00 0.00 C ATOM 763 O GLY A 50 -8.124 -3.772 5.615 1.00 0.00 O ATOM 0 H GLY A 50 -5.637 -3.813 7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.157 -5.565 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.978 -4.499 8.774 1.00 0.00 H new ATOM 767 N GLU A 51 -9.769 -4.309 6.977 1.00 0.00 N ATOM 768 CA GLU A 51 -10.796 -3.999 5.941 1.00 0.00 C ATOM 769 C GLU A 51 -11.396 -2.611 6.177 1.00 0.00 C ATOM 770 O GLU A 51 -11.829 -2.288 7.265 1.00 0.00 O ATOM 771 CB GLU A 51 -11.866 -5.078 6.112 1.00 0.00 C ATOM 772 CG GLU A 51 -11.487 -6.308 5.286 1.00 0.00 C ATOM 773 CD GLU A 51 -11.618 -7.563 6.152 1.00 0.00 C ATOM 774 OE1 GLU A 51 -12.567 -7.636 6.915 1.00 0.00 O ATOM 775 OE2 GLU A 51 -10.766 -8.428 6.038 1.00 0.00 O ATOM 0 H GLU A 51 -10.139 -4.631 7.872 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.374 -3.992 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.960 -5.348 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.836 -4.697 5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.134 -6.386 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.465 -6.212 4.918 1.00 0.00 H new ATOM 782 N PHE A 52 -11.457 -1.799 5.155 1.00 0.00 N ATOM 783 CA PHE A 52 -12.068 -0.447 5.315 1.00 0.00 C ATOM 784 C PHE A 52 -12.728 0.012 4.010 1.00 0.00 C ATOM 785 O PHE A 52 -12.451 -0.503 2.946 1.00 0.00 O ATOM 786 CB PHE A 52 -10.910 0.485 5.686 1.00 0.00 C ATOM 787 CG PHE A 52 -9.783 0.347 4.687 1.00 0.00 C ATOM 788 CD1 PHE A 52 -9.978 0.708 3.344 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.535 -0.134 5.107 1.00 0.00 C ATOM 790 CE1 PHE A 52 -8.928 0.582 2.426 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.484 -0.257 4.188 1.00 0.00 C ATOM 792 CZ PHE A 52 -7.682 0.101 2.846 1.00 0.00 C ATOM 0 H PHE A 52 -11.111 -2.012 4.219 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.848 -0.449 6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.259 1.517 5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.549 0.247 6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.937 1.083 3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.383 -0.410 6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.080 0.856 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.523 -0.627 4.513 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.873 0.006 2.137 1.00 0.00 H new ATOM 802 N ARG A 53 -13.494 1.065 4.081 1.00 0.00 N ATOM 803 CA ARG A 53 -14.066 1.684 2.848 1.00 0.00 C ATOM 804 C ARG A 53 -14.544 3.095 3.188 1.00 0.00 C ATOM 805 O ARG A 53 -13.921 4.077 2.839 1.00 0.00 O ATOM 806 CB ARG A 53 -15.253 0.800 2.450 1.00 0.00 C ATOM 807 CG ARG A 53 -16.191 1.582 1.520 1.00 0.00 C ATOM 808 CD ARG A 53 -17.451 0.758 1.243 1.00 0.00 C ATOM 809 NE ARG A 53 -18.367 1.694 0.531 1.00 0.00 N ATOM 810 CZ ARG A 53 -18.159 1.993 -0.724 1.00 0.00 C ATOM 811 NH1 ARG A 53 -17.147 1.474 -1.365 1.00 0.00 N ATOM 812 NH2 ARG A 53 -18.964 2.816 -1.339 1.00 0.00 N ATOM 0 H ARG A 53 -13.752 1.530 4.951 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.341 1.754 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.897 -0.100 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.793 0.478 3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.461 2.534 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.682 1.811 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.226 -0.117 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.898 0.394 2.168 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.160 2.103 1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.515 0.832 -0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.988 1.710 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.754 3.225 -0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.803 3.050 -2.319 1.00 0.00 H new ATOM 900 N PRO A 59 -6.718 10.072 -2.126 1.00 0.00 N ATOM 901 CA PRO A 59 -6.441 9.884 -3.574 1.00 0.00 C ATOM 902 C PRO A 59 -5.645 8.599 -3.818 1.00 0.00 C ATOM 903 O PRO A 59 -6.013 7.783 -4.637 1.00 0.00 O ATOM 904 CB PRO A 59 -5.618 11.116 -3.966 1.00 0.00 C ATOM 905 CG PRO A 59 -5.284 11.817 -2.682 1.00 0.00 C ATOM 906 CD PRO A 59 -6.305 11.393 -1.665 1.00 0.00 C ATOM 0 HA PRO A 59 -7.355 9.788 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.713 10.827 -4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.185 11.768 -4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.279 11.555 -2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.303 12.898 -2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.880 11.353 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.146 12.086 -1.627 1.00 0.00 H new ATOM 914 N ALA A 60 -4.547 8.424 -3.132 1.00 0.00 N ATOM 915 CA ALA A 60 -3.719 7.200 -3.347 1.00 0.00 C ATOM 916 C ALA A 60 -4.623 5.972 -3.476 1.00 0.00 C ATOM 917 O ALA A 60 -4.355 5.069 -4.244 1.00 0.00 O ATOM 918 CB ALA A 60 -2.841 7.090 -2.100 1.00 0.00 C ATOM 0 H ALA A 60 -4.188 9.074 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.124 7.257 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.201 6.212 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.222 7.983 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.473 6.997 -1.217 1.00 0.00 H new ATOM 924 N PHE A 61 -5.720 5.960 -2.772 1.00 0.00 N ATOM 925 CA PHE A 61 -6.676 4.823 -2.899 1.00 0.00 C ATOM 926 C PHE A 61 -7.221 4.753 -4.329 1.00 0.00 C ATOM 927 O PHE A 61 -7.433 3.687 -4.871 1.00 0.00 O ATOM 928 CB PHE A 61 -7.802 5.132 -1.912 1.00 0.00 C ATOM 929 CG PHE A 61 -8.693 3.920 -1.789 1.00 0.00 C ATOM 930 CD1 PHE A 61 -8.187 2.737 -1.233 1.00 0.00 C ATOM 931 CD2 PHE A 61 -10.022 3.976 -2.231 1.00 0.00 C ATOM 932 CE1 PHE A 61 -9.010 1.608 -1.118 1.00 0.00 C ATOM 933 CE2 PHE A 61 -10.846 2.846 -2.117 1.00 0.00 C ATOM 934 CZ PHE A 61 -10.340 1.663 -1.561 1.00 0.00 C ATOM 0 H PHE A 61 -5.997 6.688 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.205 3.863 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.388 5.395 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.379 5.990 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.163 2.695 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.411 4.888 -2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.621 0.697 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -11.870 2.888 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.974 0.793 -1.474 1.00 0.00 H new ATOM 944 N ASP A 62 -7.500 5.882 -4.920 1.00 0.00 N ATOM 945 CA ASP A 62 -8.093 5.884 -6.290 1.00 0.00 C ATOM 946 C ASP A 62 -7.154 5.192 -7.283 1.00 0.00 C ATOM 947 O ASP A 62 -7.591 4.544 -8.211 1.00 0.00 O ATOM 948 CB ASP A 62 -8.247 7.361 -6.652 1.00 0.00 C ATOM 949 CG ASP A 62 -8.852 7.480 -8.052 1.00 0.00 C ATOM 950 OD1 ASP A 62 -8.815 6.499 -8.776 1.00 0.00 O ATOM 951 OD2 ASP A 62 -9.339 8.550 -8.377 1.00 0.00 O ATOM 0 H ASP A 62 -7.343 6.805 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.042 5.349 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.886 7.861 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.277 7.858 -6.619 1.00 0.00 H new ATOM 956 N LYS A 63 -5.875 5.419 -7.163 1.00 0.00 N ATOM 957 CA LYS A 63 -4.928 4.877 -8.179 1.00 0.00 C ATOM 958 C LYS A 63 -5.030 3.352 -8.282 1.00 0.00 C ATOM 959 O LYS A 63 -5.013 2.801 -9.362 1.00 0.00 O ATOM 960 CB LYS A 63 -3.537 5.289 -7.693 1.00 0.00 C ATOM 961 CG LYS A 63 -3.367 6.801 -7.862 1.00 0.00 C ATOM 962 CD LYS A 63 -1.976 7.213 -7.376 1.00 0.00 C ATOM 963 CE LYS A 63 -1.699 8.662 -7.790 1.00 0.00 C ATOM 964 NZ LYS A 63 -1.258 8.582 -9.215 1.00 0.00 N ATOM 0 H LYS A 63 -5.445 5.954 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.149 5.264 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.408 5.012 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.770 4.760 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.496 7.078 -8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.134 7.330 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.914 7.115 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.220 6.552 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.592 9.279 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.928 9.111 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.639 9.389 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.737 7.695 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.090 8.607 -9.838 1.00 0.00 H new ATOM 978 N VAL A 64 -5.006 2.655 -7.176 1.00 0.00 N ATOM 979 CA VAL A 64 -4.957 1.162 -7.255 1.00 0.00 C ATOM 980 C VAL A 64 -6.358 0.547 -7.166 1.00 0.00 C ATOM 981 O VAL A 64 -6.655 -0.416 -7.845 1.00 0.00 O ATOM 982 CB VAL A 64 -4.080 0.700 -6.082 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.507 1.390 -4.783 1.00 0.00 C ATOM 984 CG2 VAL A 64 -4.221 -0.815 -5.917 1.00 0.00 C ATOM 0 H VAL A 64 -5.018 3.046 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.546 0.838 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.043 0.963 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.873 1.049 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.406 2.470 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.546 1.143 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.601 -1.150 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.263 -1.064 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.900 -1.312 -6.832 1.00 0.00 H new ATOM 994 N VAL A 65 -7.233 1.087 -6.363 1.00 0.00 N ATOM 995 CA VAL A 65 -8.605 0.504 -6.288 1.00 0.00 C ATOM 996 C VAL A 65 -9.221 0.445 -7.690 1.00 0.00 C ATOM 997 O VAL A 65 -10.033 -0.410 -7.984 1.00 0.00 O ATOM 998 CB VAL A 65 -9.404 1.433 -5.368 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.779 2.712 -6.115 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -10.680 0.720 -4.917 1.00 0.00 C ATOM 0 H VAL A 65 -7.063 1.894 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.601 -0.515 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.795 1.690 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.347 3.366 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.873 3.223 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.386 2.461 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.252 1.377 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.281 0.464 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.417 -0.190 -4.378 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.793 1.307 -8.573 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.296 1.256 -9.977 1.00 0.00 C ATOM 1012 C PHE A 66 -8.267 0.570 -10.881 1.00 0.00 C ATOM 1013 O PHE A 66 -8.442 0.480 -12.080 1.00 0.00 O ATOM 1014 CB PHE A 66 -9.478 2.719 -10.383 1.00 0.00 C ATOM 1015 CG PHE A 66 -10.191 2.788 -11.714 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.591 2.845 -11.755 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -9.453 2.794 -12.906 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -12.253 2.909 -12.989 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -10.116 2.857 -14.139 1.00 0.00 C ATOM 1020 CZ PHE A 66 -11.515 2.915 -14.181 1.00 0.00 C ATOM 0 H PHE A 66 -8.116 2.046 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.223 0.690 -10.066 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.052 3.250 -9.623 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.508 3.212 -10.452 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.159 2.840 -10.837 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.374 2.750 -12.874 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.332 2.954 -13.021 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.548 2.861 -15.058 1.00 0.00 H new ATOM 0 HZ PHE A 66 -12.025 2.964 -15.132 1.00 0.00 H new ATOM 1030 N SER A 67 -7.162 0.152 -10.324 1.00 0.00 N ATOM 1031 CA SER A 67 -6.083 -0.451 -11.155 1.00 0.00 C ATOM 1032 C SER A 67 -6.223 -1.974 -11.186 1.00 0.00 C ATOM 1033 O SER A 67 -6.613 -2.552 -12.181 1.00 0.00 O ATOM 1034 CB SER A 67 -4.779 -0.053 -10.469 1.00 0.00 C ATOM 1035 OG SER A 67 -3.680 -0.561 -11.211 1.00 0.00 O ATOM 0 H SER A 67 -6.961 0.203 -9.325 1.00 0.00 H new ATOM 0 HA SER A 67 -6.123 -0.106 -12.188 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.711 1.032 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.757 -0.444 -9.452 1.00 0.00 H new ATOM 0 HG SER A 67 -2.870 -0.061 -10.979 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.875 -2.631 -10.115 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.952 -4.118 -10.095 1.00 0.00 C ATOM 1043 C CYS A 68 -7.218 -4.576 -9.371 1.00 0.00 C ATOM 1044 O CYS A 68 -7.623 -3.986 -8.388 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.705 -4.568 -9.335 1.00 0.00 C ATOM 1046 SG CYS A 68 -3.236 -4.214 -10.332 1.00 0.00 S ATOM 0 H CYS A 68 -5.540 -2.202 -9.252 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.993 -4.542 -11.098 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.642 -4.051 -8.378 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.763 -5.635 -9.118 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.421 -3.464 -9.652 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.795 -5.629 -9.880 1.00 0.00 N ATOM 1053 CA PRO A 69 -9.023 -6.194 -9.273 1.00 0.00 C ATOM 1054 C PRO A 69 -8.777 -6.535 -7.801 1.00 0.00 C ATOM 1055 O PRO A 69 -8.532 -7.668 -7.468 1.00 0.00 O ATOM 1056 CB PRO A 69 -9.291 -7.460 -10.085 1.00 0.00 C ATOM 1057 CG PRO A 69 -8.520 -7.289 -11.358 1.00 0.00 C ATOM 1058 CD PRO A 69 -7.357 -6.383 -11.057 1.00 0.00 C ATOM 0 HA PRO A 69 -9.864 -5.501 -9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.965 -8.349 -9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.356 -7.581 -10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -8.171 -8.253 -11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.152 -6.859 -12.135 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.450 -6.952 -10.853 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -7.137 -5.723 -11.896 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.869 -5.545 -6.943 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.681 -5.718 -5.458 1.00 0.00 C ATOM 1068 C VAL A 70 -8.061 -7.063 -5.082 1.00 0.00 C ATOM 1069 O VAL A 70 -8.664 -7.869 -4.404 1.00 0.00 O ATOM 1070 CB VAL A 70 -10.081 -5.596 -4.873 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.551 -4.152 -5.027 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -11.032 -6.531 -5.622 1.00 0.00 C ATOM 0 H VAL A 70 -9.075 -4.585 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.986 -4.972 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.070 -5.871 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.554 -4.049 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.869 -3.489 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.567 -3.885 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.034 -6.443 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.055 -6.258 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.685 -7.560 -5.521 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.840 -7.280 -5.467 1.00 0.00 N ATOM 1083 CA LEU A 71 -6.148 -8.551 -5.090 1.00 0.00 C ATOM 1084 C LEU A 71 -4.646 -8.442 -5.370 1.00 0.00 C ATOM 1085 O LEU A 71 -3.824 -8.796 -4.548 1.00 0.00 O ATOM 1086 CB LEU A 71 -6.776 -9.627 -5.981 1.00 0.00 C ATOM 1087 CG LEU A 71 -7.844 -10.392 -5.194 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -9.239 -10.006 -5.694 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -7.635 -11.896 -5.385 1.00 0.00 C ATOM 0 H LEU A 71 -6.284 -6.634 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.260 -8.779 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.221 -9.167 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.007 -10.315 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.760 -10.139 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.993 -10.555 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.391 -8.935 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.328 -10.253 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.394 -12.443 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.716 -12.143 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.646 -12.175 -5.022 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.282 -7.970 -6.531 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.834 -7.856 -6.872 1.00 0.00 C ATOM 1103 C GLU A 72 -2.251 -6.560 -6.302 1.00 0.00 C ATOM 1104 O GLU A 72 -2.938 -5.564 -6.191 1.00 0.00 O ATOM 1105 CB GLU A 72 -2.789 -7.840 -8.401 1.00 0.00 C ATOM 1106 CG GLU A 72 -3.386 -9.142 -8.940 1.00 0.00 C ATOM 1107 CD GLU A 72 -3.106 -9.248 -10.440 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -2.265 -8.507 -10.920 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -3.739 -10.070 -11.084 1.00 0.00 O ATOM 0 H GLU A 72 -4.925 -7.658 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.247 -8.674 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.347 -6.985 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.761 -7.729 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.955 -9.996 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.460 -9.165 -8.757 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.996 -6.626 -5.951 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.302 -5.449 -5.375 1.00 0.00 C ATOM 1118 C PRO A 73 -0.084 -4.374 -6.445 1.00 0.00 C ATOM 1119 O PRO A 73 0.240 -4.669 -7.578 1.00 0.00 O ATOM 1120 CB PRO A 73 1.034 -6.011 -4.893 1.00 0.00 C ATOM 1121 CG PRO A 73 1.242 -7.272 -5.675 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.118 -7.796 -6.057 1.00 0.00 C ATOM 0 HA PRO A 73 -0.870 -4.972 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.844 -5.303 -5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.012 -6.212 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.842 -7.077 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.783 -8.008 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.118 -8.204 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.438 -8.596 -5.390 1.00 0.00 H new ATOM 1130 N THR A 74 -0.234 -3.127 -6.086 1.00 0.00 N ATOM 1131 CA THR A 74 -0.007 -2.030 -7.072 1.00 0.00 C ATOM 1132 C THR A 74 0.763 -0.881 -6.416 1.00 0.00 C ATOM 1133 O THR A 74 0.482 -0.492 -5.300 1.00 0.00 O ATOM 1134 CB THR A 74 -1.405 -1.566 -7.481 1.00 0.00 C ATOM 1135 OG1 THR A 74 -2.114 -2.652 -8.062 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.288 -0.426 -8.494 1.00 0.00 C ATOM 0 H THR A 74 -0.504 -2.820 -5.152 1.00 0.00 H new ATOM 0 HA THR A 74 0.580 -2.362 -7.928 1.00 0.00 H new ATOM 0 HB THR A 74 -1.944 -1.213 -6.601 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.721 -3.040 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.285 -0.095 -8.786 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.746 0.406 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.749 -0.776 -9.375 1.00 0.00 H new ATOM 1144 N GLY A 75 1.719 -0.321 -7.106 1.00 0.00 N ATOM 1145 CA GLY A 75 2.485 0.817 -6.523 1.00 0.00 C ATOM 1146 C GLY A 75 3.966 0.688 -6.900 1.00 0.00 C ATOM 1147 O GLY A 75 4.312 -0.078 -7.778 1.00 0.00 O ATOM 0 H GLY A 75 2.002 -0.601 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.087 1.763 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.375 0.825 -5.439 1.00 0.00 H new ATOM 1151 N PRO A 76 4.799 1.466 -6.245 1.00 0.00 N ATOM 1152 CA PRO A 76 4.333 2.388 -5.176 1.00 0.00 C ATOM 1153 C PRO A 76 3.562 3.568 -5.780 1.00 0.00 C ATOM 1154 O PRO A 76 3.900 4.072 -6.833 1.00 0.00 O ATOM 1155 CB PRO A 76 5.626 2.851 -4.509 1.00 0.00 C ATOM 1156 CG PRO A 76 6.686 2.683 -5.550 1.00 0.00 C ATOM 1157 CD PRO A 76 6.252 1.553 -6.449 1.00 0.00 C ATOM 0 HA PRO A 76 3.648 1.916 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.552 3.889 -4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.847 2.256 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.813 3.602 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.647 2.459 -5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.496 1.758 -7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.748 0.620 -6.183 1.00 0.00 H new ATOM 1165 N LEU A 77 2.502 3.981 -5.137 1.00 0.00 N ATOM 1166 CA LEU A 77 1.671 5.094 -5.684 1.00 0.00 C ATOM 1167 C LEU A 77 2.171 6.435 -5.143 1.00 0.00 C ATOM 1168 O LEU A 77 3.027 6.483 -4.287 1.00 0.00 O ATOM 1169 CB LEU A 77 0.255 4.810 -5.179 1.00 0.00 C ATOM 1170 CG LEU A 77 -0.224 3.464 -5.731 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.609 3.146 -5.165 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -0.302 3.535 -7.257 1.00 0.00 C ATOM 0 H LEU A 77 2.174 3.594 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 77 1.715 5.151 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.243 4.793 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.421 5.605 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 77 0.478 2.682 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.951 2.188 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.555 3.094 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.310 3.928 -5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.643 2.577 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.003 4.317 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.684 3.762 -7.662 1.00 0.00 H new ATOM 1184 N HIS A 78 1.684 7.527 -5.664 1.00 0.00 N ATOM 1185 CA HIS A 78 2.186 8.849 -5.195 1.00 0.00 C ATOM 1186 C HIS A 78 1.141 9.552 -4.321 1.00 0.00 C ATOM 1187 O HIS A 78 0.058 9.878 -4.768 1.00 0.00 O ATOM 1188 CB HIS A 78 2.453 9.655 -6.464 1.00 0.00 C ATOM 1189 CG HIS A 78 3.176 10.923 -6.101 1.00 0.00 C ATOM 1190 ND1 HIS A 78 2.535 12.151 -6.050 1.00 0.00 N ATOM 1191 CD2 HIS A 78 4.482 11.168 -5.758 1.00 0.00 C ATOM 1192 CE1 HIS A 78 3.449 13.071 -5.689 1.00 0.00 C ATOM 1193 NE2 HIS A 78 4.653 12.524 -5.499 1.00 0.00 N ATOM 0 H HIS A 78 0.966 7.562 -6.388 1.00 0.00 H new ATOM 0 HA HIS A 78 3.082 8.744 -4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.050 9.069 -7.163 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.514 9.888 -6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.260 10.421 -5.698 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.235 14.123 -5.568 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.513 12.999 -5.223 1.00 0.00 H new ATOM 1201 N THR A 79 1.513 9.901 -3.121 1.00 0.00 N ATOM 1202 CA THR A 79 0.615 10.716 -2.252 1.00 0.00 C ATOM 1203 C THR A 79 1.442 11.779 -1.524 1.00 0.00 C ATOM 1204 O THR A 79 2.655 11.744 -1.535 1.00 0.00 O ATOM 1205 CB THR A 79 -0.008 9.733 -1.254 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.905 10.434 -0.404 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.089 9.082 -0.408 1.00 0.00 C ATOM 0 H THR A 79 2.409 9.655 -2.700 1.00 0.00 H new ATOM 0 HA THR A 79 -0.157 11.233 -2.822 1.00 0.00 H new ATOM 0 HB THR A 79 -0.545 8.958 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.307 9.809 0.235 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.638 8.385 0.299 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.779 8.544 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.632 9.853 0.139 1.00 0.00 H new ATOM 1215 N GLN A 80 0.805 12.768 -0.962 1.00 0.00 N ATOM 1216 CA GLN A 80 1.573 13.881 -0.329 1.00 0.00 C ATOM 1217 C GLN A 80 2.521 13.330 0.740 1.00 0.00 C ATOM 1218 O GLN A 80 3.640 13.783 0.882 1.00 0.00 O ATOM 1219 CB GLN A 80 0.513 14.785 0.304 1.00 0.00 C ATOM 1220 CG GLN A 80 1.187 16.027 0.890 1.00 0.00 C ATOM 1221 CD GLN A 80 0.120 16.955 1.475 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -0.399 17.814 0.789 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -0.232 16.819 2.725 1.00 0.00 N ATOM 0 H GLN A 80 -0.210 12.856 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 80 2.189 14.420 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.225 15.077 -0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.021 14.245 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.897 15.738 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.753 16.547 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.203 16.099 3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.942 17.433 3.125 1.00 0.00 H new ATOM 1232 N PHE A 81 2.082 12.365 1.499 1.00 0.00 N ATOM 1233 CA PHE A 81 2.955 11.796 2.568 1.00 0.00 C ATOM 1234 C PHE A 81 4.236 11.209 1.961 1.00 0.00 C ATOM 1235 O PHE A 81 5.244 11.078 2.626 1.00 0.00 O ATOM 1236 CB PHE A 81 2.120 10.688 3.209 1.00 0.00 C ATOM 1237 CG PHE A 81 0.945 11.298 3.935 1.00 0.00 C ATOM 1238 CD1 PHE A 81 1.068 11.663 5.284 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.267 11.499 3.262 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.023 12.229 5.957 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.358 12.064 3.936 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.237 12.430 5.284 1.00 0.00 C ATOM 0 H PHE A 81 1.156 11.944 1.426 1.00 0.00 H new ATOM 0 HA PHE A 81 3.264 12.553 3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.769 9.995 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.732 10.113 3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.002 11.508 5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.361 11.218 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.071 12.511 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.292 12.218 3.417 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.077 12.866 5.803 1.00 0.00 H new ATOM 1252 N GLY A 82 4.182 10.785 0.729 1.00 0.00 N ATOM 1253 CA GLY A 82 5.367 10.129 0.110 1.00 0.00 C ATOM 1254 C GLY A 82 4.886 9.103 -0.918 1.00 0.00 C ATOM 1255 O GLY A 82 3.940 9.337 -1.639 1.00 0.00 O ATOM 0 H GLY A 82 3.366 10.865 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.002 10.874 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.970 9.641 0.876 1.00 0.00 H new ATOM 1259 N TYR A 83 5.490 7.947 -0.956 1.00 0.00 N ATOM 1260 CA TYR A 83 5.010 6.896 -1.899 1.00 0.00 C ATOM 1261 C TYR A 83 4.112 5.894 -1.168 1.00 0.00 C ATOM 1262 O TYR A 83 4.529 5.235 -0.237 1.00 0.00 O ATOM 1263 CB TYR A 83 6.277 6.213 -2.415 1.00 0.00 C ATOM 1264 CG TYR A 83 6.979 7.134 -3.383 1.00 0.00 C ATOM 1265 CD1 TYR A 83 6.516 7.249 -4.701 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.093 7.876 -2.964 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.166 8.105 -5.600 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.744 8.732 -3.864 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.280 8.847 -5.182 1.00 0.00 C ATOM 1270 OH TYR A 83 8.919 9.691 -6.066 1.00 0.00 O ATOM 0 H TYR A 83 6.290 7.685 -0.379 1.00 0.00 H new ATOM 0 HA TYR A 83 4.416 7.313 -2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 83 6.937 5.969 -1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.024 5.274 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.658 6.678 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.449 7.788 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 83 6.809 8.193 -6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.603 9.303 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 83 9.431 10.361 -5.567 1.00 0.00 H new ATOM 1280 N HIS A 84 2.917 5.702 -1.658 1.00 0.00 N ATOM 1281 CA HIS A 84 2.023 4.653 -1.077 1.00 0.00 C ATOM 1282 C HIS A 84 2.020 3.409 -1.963 1.00 0.00 C ATOM 1283 O HIS A 84 1.410 3.392 -3.013 1.00 0.00 O ATOM 1284 CB HIS A 84 0.609 5.254 -1.031 1.00 0.00 C ATOM 1285 CG HIS A 84 0.339 5.799 0.342 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.850 6.431 0.665 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.094 5.807 1.487 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.778 6.790 1.961 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.386 6.432 2.509 1.00 0.00 N ATOM 0 H HIS A 84 2.519 6.226 -2.437 1.00 0.00 H new ATOM 0 HA HIS A 84 2.366 4.359 -0.085 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.515 6.047 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.129 4.493 -1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.086 5.392 1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.565 7.304 2.492 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.691 6.584 3.470 1.00 0.00 H new ATOM 1297 N ILE A 85 2.530 2.316 -1.471 1.00 0.00 N ATOM 1298 CA ILE A 85 2.353 1.039 -2.215 1.00 0.00 C ATOM 1299 C ILE A 85 1.248 0.214 -1.553 1.00 0.00 C ATOM 1300 O ILE A 85 1.283 -0.043 -0.364 1.00 0.00 O ATOM 1301 CB ILE A 85 3.705 0.325 -2.133 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.762 -0.772 -3.197 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.878 -0.303 -0.750 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.176 -0.849 -3.773 1.00 0.00 C ATOM 0 H ILE A 85 3.055 2.250 -0.599 1.00 0.00 H new ATOM 0 HA ILE A 85 2.059 1.194 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 85 4.504 1.047 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.482 -1.731 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.045 -0.561 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.842 -0.809 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.836 0.476 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.079 -1.024 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.218 -1.631 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.438 0.108 -4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.882 -1.080 -2.975 1.00 0.00 H new ATOM 1316 N ILE A 86 0.199 -0.064 -2.280 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.988 -0.716 -1.657 1.00 0.00 C ATOM 1318 C ILE A 86 -1.168 -2.143 -2.180 1.00 0.00 C ATOM 1319 O ILE A 86 -1.373 -2.353 -3.359 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.176 0.153 -2.082 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -2.059 1.536 -1.440 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.485 -0.508 -1.645 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -3.131 2.460 -2.024 1.00 0.00 C ATOM 0 H ILE A 86 0.113 0.132 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.887 -0.791 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.172 0.258 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.179 1.459 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.067 1.951 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.326 0.114 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.571 -1.489 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.491 -0.621 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.049 3.446 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.990 2.546 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.119 2.046 -1.819 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.327 -3.088 -1.294 1.00 0.00 N ATOM 1336 CA LYS A 87 -1.770 -4.440 -1.734 1.00 0.00 C ATOM 1337 C LYS A 87 -3.238 -4.638 -1.358 1.00 0.00 C ATOM 1338 O LYS A 87 -3.643 -4.347 -0.251 1.00 0.00 O ATOM 1339 CB LYS A 87 -0.884 -5.430 -0.978 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.411 -6.850 -1.200 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.441 -7.858 -0.584 1.00 0.00 C ATOM 1342 CE LYS A 87 0.500 -8.383 -1.669 1.00 0.00 C ATOM 1343 NZ LYS A 87 -0.295 -9.408 -2.405 1.00 0.00 N ATOM 0 H LYS A 87 -1.170 -2.983 -0.292 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.683 -4.576 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.146 -5.353 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.880 -5.193 0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.398 -6.957 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.525 -7.044 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.133 -7.387 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.993 -8.684 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.823 -7.581 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.400 -8.818 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.349 -10.082 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.908 -9.917 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.881 -8.941 -3.126 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.058 -5.006 -2.302 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.521 -5.072 -2.027 1.00 0.00 C ATOM 1359 C VAL A 88 -5.994 -6.528 -2.010 1.00 0.00 C ATOM 1360 O VAL A 88 -5.533 -7.344 -2.778 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.168 -4.312 -3.183 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.666 -4.176 -2.922 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.539 -2.921 -3.296 1.00 0.00 C ATOM 0 H VAL A 88 -3.780 -5.263 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.781 -4.646 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.008 -4.857 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.131 -3.634 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.113 -5.167 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.825 -3.630 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.001 -2.379 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.698 -2.373 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.469 -3.019 -3.480 1.00 0.00 H new ATOM 1373 N LEU A 89 -6.870 -6.869 -1.100 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.328 -8.270 -0.989 1.00 0.00 C ATOM 1375 C LEU A 89 -8.771 -8.294 -0.488 1.00 0.00 C ATOM 1376 O LEU A 89 -9.281 -7.316 0.017 1.00 0.00 O ATOM 1377 CB LEU A 89 -6.414 -8.908 0.060 1.00 0.00 C ATOM 1378 CG LEU A 89 -4.946 -8.770 -0.352 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.058 -9.377 0.736 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -4.699 -9.508 -1.671 1.00 0.00 C ATOM 0 H LEU A 89 -7.286 -6.225 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.290 -8.794 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.573 -8.431 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.667 -9.962 0.179 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.709 -7.714 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.011 -9.281 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.224 -8.852 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.305 -10.431 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.652 -9.404 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.938 -10.564 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.331 -9.082 -2.450 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.319 -9.462 -0.399 1.00 0.00 N ATOM 1393 CA TYR A 90 -10.608 -9.648 0.336 1.00 0.00 C ATOM 1394 C TYR A 90 -11.769 -8.955 -0.387 1.00 0.00 C ATOM 1395 O TYR A 90 -12.767 -9.570 -0.703 1.00 0.00 O ATOM 1396 CB TYR A 90 -10.382 -9.019 1.714 1.00 0.00 C ATOM 1397 CG TYR A 90 -10.390 -10.100 2.769 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -9.231 -10.851 3.008 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -11.553 -10.349 3.509 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -9.235 -11.853 3.989 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -11.557 -11.351 4.490 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.398 -12.103 4.729 1.00 0.00 C ATOM 1403 OH TYR A 90 -10.403 -13.089 5.695 1.00 0.00 O ATOM 0 H TYR A 90 -8.931 -10.313 -0.806 1.00 0.00 H new ATOM 0 HA TYR A 90 -10.877 -10.702 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.431 -8.487 1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.161 -8.286 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.335 -10.658 2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.446 -9.770 3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.342 -12.432 4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.453 -11.543 5.062 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.288 -13.131 6.115 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.697 -7.662 -0.546 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.858 -6.919 -1.124 1.00 0.00 C ATOM 1415 C ARG A 91 -14.133 -7.203 -0.321 1.00 0.00 C ATOM 1416 O ARG A 91 -15.202 -7.362 -0.877 1.00 0.00 O ATOM 1417 CB ARG A 91 -13.009 -7.450 -2.546 1.00 0.00 C ATOM 1418 CG ARG A 91 -13.981 -6.551 -3.315 1.00 0.00 C ATOM 1419 CD ARG A 91 -14.293 -7.172 -4.677 1.00 0.00 C ATOM 1420 NE ARG A 91 -15.369 -6.312 -5.246 1.00 0.00 N ATOM 1421 CZ ARG A 91 -16.599 -6.431 -4.821 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -16.893 -7.300 -3.889 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -17.537 -5.678 -5.326 1.00 0.00 N ATOM 0 H ARG A 91 -10.890 -7.088 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.697 -5.841 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.040 -7.470 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.379 -8.475 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.901 -6.422 -2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.547 -5.560 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.412 -7.182 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.624 -8.205 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.145 -5.629 -5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -16.161 -7.888 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -17.854 -7.390 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -17.310 -4.998 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.498 -5.769 -4.996 1.00 0.00 H new