USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= -0.996 K(o=-1,f=-4.9!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.0464 K(o=-1,f=-3.2!) USER MOD Set 2.1: A 30 TYR OH : rot -60:sc= 0.991 USER MOD Set 2.2: A 71 SER OG : rot -80:sc= 2.1 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 13 GLN : amide:sc= 0.905 K(o=0.91,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= 0.136 K(o=0.14,f=-3.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 120:sc= -0.169 USER MOD Single : A 26 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-3.7!) USER MOD Single : A 27 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.1) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.06) USER MOD Single : A 33 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0357) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 55 THR OG1 : rot -80:sc= 0.416 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 155:sc= 0.141 USER MOD Single : A 80 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 1.863 -9.269 -11.122 1.00 0.00 N ATOM 66 CA LYS A 5 2.234 -9.037 -9.731 1.00 0.00 C ATOM 67 C LYS A 5 1.030 -9.332 -8.835 1.00 0.00 C ATOM 68 O LYS A 5 0.516 -8.475 -8.129 1.00 0.00 O ATOM 69 CB LYS A 5 2.921 -7.676 -9.542 1.00 0.00 C ATOM 70 CG LYS A 5 4.426 -7.660 -9.863 1.00 0.00 C ATOM 71 CD LYS A 5 4.731 -7.559 -11.366 1.00 0.00 C ATOM 72 CE LYS A 5 5.058 -6.133 -11.849 1.00 0.00 C ATOM 73 NZ LYS A 5 4.173 -5.708 -12.954 1.00 0.00 N ATOM 0 HA LYS A 5 3.009 -9.733 -9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.422 -6.942 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.781 -7.355 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.890 -6.818 -9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.883 -8.567 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.572 -8.212 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.873 -7.932 -11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.959 -5.436 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.096 -6.091 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.426 -4.744 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.286 -6.358 -13.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.184 -5.723 -12.632 1.00 0.00 H new ATOM 87 N TYR A 6 0.594 -10.592 -8.842 1.00 0.00 N ATOM 88 CA TYR A 6 -0.476 -11.057 -7.977 1.00 0.00 C ATOM 89 C TYR A 6 0.105 -11.570 -6.667 1.00 0.00 C ATOM 90 O TYR A 6 0.898 -12.507 -6.691 1.00 0.00 O ATOM 91 CB TYR A 6 -1.273 -12.152 -8.688 1.00 0.00 C ATOM 92 CG TYR A 6 -2.314 -11.628 -9.651 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.330 -10.783 -9.167 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.390 -12.130 -10.963 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.425 -10.455 -9.981 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.485 -11.798 -11.778 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.486 -10.937 -11.297 1.00 0.00 C ATOM 98 OH TYR A 6 -5.537 -10.598 -12.093 1.00 0.00 O ATOM 0 H TYR A 6 0.977 -11.315 -9.451 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.150 -10.230 -7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.581 -12.796 -9.232 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.765 -12.773 -7.940 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.267 -10.385 -8.165 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.607 -12.770 -11.343 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.219 -9.833 -9.595 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.558 -12.205 -12.776 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.427 -11.013 -12.974 1.00 0.00 H new ATOM 108 N TYR A 7 -0.279 -10.960 -5.539 1.00 0.00 N ATOM 109 CA TYR A 7 0.172 -11.384 -4.217 1.00 0.00 C ATOM 110 C TYR A 7 -1.041 -11.724 -3.340 1.00 0.00 C ATOM 111 O TYR A 7 -2.073 -11.056 -3.423 1.00 0.00 O ATOM 112 CB TYR A 7 1.051 -10.289 -3.599 1.00 0.00 C ATOM 113 CG TYR A 7 2.473 -10.207 -4.134 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.726 -9.849 -5.471 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.558 -10.450 -3.270 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.042 -9.853 -5.966 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.873 -10.447 -3.763 1.00 0.00 C ATOM 118 CZ TYR A 7 5.111 -10.196 -5.123 1.00 0.00 C ATOM 119 OH TYR A 7 6.389 -10.060 -5.577 1.00 0.00 O ATOM 0 H TYR A 7 -0.911 -10.159 -5.522 1.00 0.00 H new ATOM 0 HA TYR A 7 0.779 -12.286 -4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.566 -9.326 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.096 -10.449 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.908 -9.571 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.378 -10.640 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.231 -9.592 -6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.701 -10.638 -3.096 1.00 0.00 H new ATOM 0 HH TYR A 7 7.016 -10.337 -4.877 1.00 0.00 H new ATOM 129 N THR A 8 -0.939 -12.782 -2.529 1.00 0.00 N ATOM 130 CA THR A 8 -1.981 -13.234 -1.613 1.00 0.00 C ATOM 131 C THR A 8 -1.912 -12.430 -0.313 1.00 0.00 C ATOM 132 O THR A 8 -0.873 -11.862 0.019 1.00 0.00 O ATOM 133 CB THR A 8 -1.764 -14.730 -1.339 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.400 -14.935 -1.041 1.00 0.00 O ATOM 135 CG2 THR A 8 -2.118 -15.590 -2.554 1.00 0.00 C ATOM 0 H THR A 8 -0.101 -13.363 -2.494 1.00 0.00 H new ATOM 0 HA THR A 8 -2.967 -13.082 -2.051 1.00 0.00 H new ATOM 0 HB THR A 8 -2.410 -15.020 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.244 -15.886 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.950 -16.641 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.166 -15.439 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.490 -15.303 -3.398 1.00 0.00 H new ATOM 143 N LEU A 9 -3.017 -12.383 0.441 1.00 0.00 N ATOM 144 CA LEU A 9 -3.122 -11.585 1.651 1.00 0.00 C ATOM 145 C LEU A 9 -1.965 -11.899 2.603 1.00 0.00 C ATOM 146 O LEU A 9 -1.230 -11.000 3.010 1.00 0.00 O ATOM 147 CB LEU A 9 -4.477 -11.826 2.333 1.00 0.00 C ATOM 148 CG LEU A 9 -5.734 -11.350 1.579 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.666 -9.885 1.143 1.00 0.00 C ATOM 150 CD2 LEU A 9 -6.084 -12.221 0.374 1.00 0.00 C ATOM 0 H LEU A 9 -3.865 -12.905 0.220 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.059 -10.531 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.578 -12.895 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.459 -11.334 3.306 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.530 -11.449 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.584 -9.619 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.552 -9.249 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.814 -9.742 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.979 -11.830 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.255 -12.213 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.268 -13.243 0.705 1.00 0.00 H new ATOM 162 N GLU A 10 -1.793 -13.180 2.942 1.00 0.00 N ATOM 163 CA GLU A 10 -0.763 -13.602 3.881 1.00 0.00 C ATOM 164 C GLU A 10 0.633 -13.254 3.353 1.00 0.00 C ATOM 165 O GLU A 10 1.464 -12.747 4.102 1.00 0.00 O ATOM 166 CB GLU A 10 -0.921 -15.094 4.216 1.00 0.00 C ATOM 167 CG GLU A 10 -0.340 -15.447 5.599 1.00 0.00 C ATOM 168 CD GLU A 10 1.003 -16.167 5.523 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.002 -17.283 4.959 1.00 0.00 O ATOM 170 OE2 GLU A 10 1.991 -15.610 6.050 1.00 0.00 O ATOM 0 H GLU A 10 -2.361 -13.943 2.574 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.885 -13.053 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.978 -15.360 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.423 -15.691 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.222 -14.532 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.052 -16.075 6.135 1.00 0.00 H new ATOM 177 N GLU A 11 0.874 -13.462 2.051 1.00 0.00 N ATOM 178 CA GLU A 11 2.129 -13.069 1.422 1.00 0.00 C ATOM 179 C GLU A 11 2.381 -11.587 1.692 1.00 0.00 C ATOM 180 O GLU A 11 3.422 -11.215 2.221 1.00 0.00 O ATOM 181 CB GLU A 11 2.097 -13.388 -0.081 1.00 0.00 C ATOM 182 CG GLU A 11 3.374 -13.001 -0.844 1.00 0.00 C ATOM 183 CD GLU A 11 4.521 -13.990 -0.686 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.536 -14.708 0.337 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.364 -14.017 -1.608 1.00 0.00 O ATOM 0 H GLU A 11 0.209 -13.903 1.416 1.00 0.00 H new ATOM 0 HA GLU A 11 2.955 -13.638 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.923 -14.456 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.250 -12.871 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.136 -12.905 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.705 -12.021 -0.502 1.00 0.00 H new ATOM 192 N ILE A 12 1.417 -10.721 1.382 1.00 0.00 N ATOM 193 CA ILE A 12 1.584 -9.289 1.602 1.00 0.00 C ATOM 194 C ILE A 12 1.789 -9.012 3.095 1.00 0.00 C ATOM 195 O ILE A 12 2.581 -8.148 3.466 1.00 0.00 O ATOM 196 CB ILE A 12 0.405 -8.501 1.016 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.200 -8.873 -0.464 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.669 -6.992 1.163 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.275 -8.894 -0.845 1.00 0.00 C ATOM 0 H ILE A 12 0.518 -10.986 0.980 1.00 0.00 H new ATOM 0 HA ILE A 12 2.475 -8.947 1.076 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.504 -8.755 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.728 -8.158 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.639 -9.852 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.169 -6.434 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.782 -6.743 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.582 -6.729 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.375 -9.161 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.798 -9.628 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.708 -7.908 -0.678 1.00 0.00 H new ATOM 211 N GLN A 13 1.141 -9.794 3.962 1.00 0.00 N ATOM 212 CA GLN A 13 1.351 -9.745 5.403 1.00 0.00 C ATOM 213 C GLN A 13 2.766 -10.158 5.841 1.00 0.00 C ATOM 214 O GLN A 13 3.055 -10.155 7.040 1.00 0.00 O ATOM 215 CB GLN A 13 0.265 -10.568 6.111 1.00 0.00 C ATOM 216 CG GLN A 13 -0.061 -10.021 7.509 1.00 0.00 C ATOM 217 CD GLN A 13 0.080 -11.102 8.572 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.894 -11.518 9.189 1.00 0.00 O ATOM 219 NE2 GLN A 13 1.305 -11.568 8.787 1.00 0.00 N ATOM 0 H GLN A 13 0.448 -10.486 3.675 1.00 0.00 H new ATOM 0 HA GLN A 13 1.265 -8.701 5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.640 -10.570 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.594 -11.604 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.605 -9.190 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.077 -9.627 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.092 -11.198 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.459 -12.296 9.485 1.00 0.00 H new ATOM 228 N LYS A 14 3.651 -10.496 4.898 1.00 0.00 N ATOM 229 CA LYS A 14 5.070 -10.722 5.113 1.00 0.00 C ATOM 230 C LYS A 14 5.933 -9.670 4.396 1.00 0.00 C ATOM 231 O LYS A 14 7.153 -9.813 4.366 1.00 0.00 O ATOM 232 CB LYS A 14 5.413 -12.163 4.689 1.00 0.00 C ATOM 233 CG LYS A 14 4.674 -13.203 5.547 1.00 0.00 C ATOM 234 CD LYS A 14 5.238 -13.219 6.975 1.00 0.00 C ATOM 235 CE LYS A 14 5.935 -14.549 7.283 1.00 0.00 C ATOM 236 NZ LYS A 14 6.790 -14.448 8.483 1.00 0.00 N ATOM 0 H LYS A 14 3.378 -10.623 3.923 1.00 0.00 H new ATOM 0 HA LYS A 14 5.300 -10.608 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.151 -12.305 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.488 -12.320 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.609 -12.972 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.775 -14.191 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.945 -12.398 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.431 -13.055 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.186 -15.327 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.540 -14.850 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.246 -15.365 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.519 -13.723 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.207 -14.185 9.303 1.00 0.00 H new ATOM 250 N HIS A 15 5.342 -8.581 3.886 1.00 0.00 N ATOM 251 CA HIS A 15 6.066 -7.467 3.281 1.00 0.00 C ATOM 252 C HIS A 15 6.053 -6.265 4.228 1.00 0.00 C ATOM 253 O HIS A 15 5.329 -5.290 4.019 1.00 0.00 O ATOM 254 CB HIS A 15 5.474 -7.129 1.910 1.00 0.00 C ATOM 255 CG HIS A 15 5.915 -8.066 0.814 1.00 0.00 C ATOM 256 ND1 HIS A 15 6.597 -7.697 -0.320 1.00 0.00 N ATOM 257 CD2 HIS A 15 5.783 -9.428 0.785 1.00 0.00 C ATOM 258 CE1 HIS A 15 6.826 -8.807 -1.039 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.356 -9.888 -0.403 1.00 0.00 N ATOM 0 H HIS A 15 4.330 -8.452 3.885 1.00 0.00 H new ATOM 0 HA HIS A 15 7.106 -7.751 3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.386 -7.150 1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.757 -6.111 1.642 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.879 -6.749 -0.571 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.319 -10.038 1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.321 -8.826 -1.999 1.00 0.00 H new ATOM 267 N LYS A 16 6.887 -6.343 5.270 1.00 0.00 N ATOM 268 CA LYS A 16 7.119 -5.242 6.198 1.00 0.00 C ATOM 269 C LYS A 16 8.566 -5.229 6.689 1.00 0.00 C ATOM 270 O LYS A 16 8.839 -4.836 7.824 1.00 0.00 O ATOM 271 CB LYS A 16 6.109 -5.311 7.353 1.00 0.00 C ATOM 272 CG LYS A 16 6.216 -6.574 8.234 1.00 0.00 C ATOM 273 CD LYS A 16 6.668 -6.234 9.669 1.00 0.00 C ATOM 274 CE LYS A 16 6.156 -7.238 10.720 1.00 0.00 C ATOM 275 NZ LYS A 16 7.220 -8.112 11.255 1.00 0.00 N ATOM 0 H LYS A 16 7.423 -7.182 5.491 1.00 0.00 H new ATOM 0 HA LYS A 16 6.964 -4.298 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.241 -4.433 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.102 -5.258 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.250 -7.077 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.924 -7.271 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.757 -6.206 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.315 -5.236 9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.696 -6.690 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.377 -7.856 10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.814 -8.764 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.643 -8.659 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.953 -7.529 11.708 1.00 0.00 H new ATOM 334 N SER A 20 11.099 -2.155 2.970 1.00 0.00 N ATOM 335 CA SER A 20 10.168 -2.926 2.152 1.00 0.00 C ATOM 336 C SER A 20 8.780 -2.806 2.780 1.00 0.00 C ATOM 337 O SER A 20 8.301 -3.751 3.406 1.00 0.00 O ATOM 338 CB SER A 20 10.610 -4.396 2.088 1.00 0.00 C ATOM 339 OG SER A 20 11.650 -4.563 1.146 1.00 0.00 O ATOM 0 HA SER A 20 10.149 -2.542 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.947 -4.723 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.762 -5.025 1.817 1.00 0.00 H new ATOM 0 HG SER A 20 11.920 -5.505 1.120 1.00 0.00 H new ATOM 345 N THR A 21 8.152 -1.633 2.647 1.00 0.00 N ATOM 346 CA THR A 21 6.837 -1.352 3.190 1.00 0.00 C ATOM 347 C THR A 21 5.823 -1.291 2.052 1.00 0.00 C ATOM 348 O THR A 21 5.855 -0.401 1.199 1.00 0.00 O ATOM 349 CB THR A 21 6.903 -0.088 4.049 1.00 0.00 C ATOM 350 OG1 THR A 21 7.441 -0.483 5.300 1.00 0.00 O ATOM 351 CG2 THR A 21 5.516 0.516 4.269 1.00 0.00 C ATOM 0 H THR A 21 8.559 -0.843 2.147 1.00 0.00 H new ATOM 0 HA THR A 21 6.499 -2.149 3.852 1.00 0.00 H new ATOM 0 HB THR A 21 7.512 0.669 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.274 0.006 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.603 1.412 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.076 0.777 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.879 -0.210 4.774 1.00 0.00 H new ATOM 359 N TRP A 22 4.938 -2.286 2.055 1.00 0.00 N ATOM 360 CA TRP A 22 3.860 -2.465 1.104 1.00 0.00 C ATOM 361 C TRP A 22 2.542 -2.171 1.798 1.00 0.00 C ATOM 362 O TRP A 22 2.480 -2.196 3.025 1.00 0.00 O ATOM 363 CB TRP A 22 3.883 -3.912 0.639 1.00 0.00 C ATOM 364 CG TRP A 22 4.953 -4.250 -0.347 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.116 -3.591 -0.564 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.900 -5.290 -1.354 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.758 -4.137 -1.649 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.071 -5.213 -2.159 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.949 -6.271 -1.681 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.302 -6.088 -3.229 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.145 -7.124 -2.778 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.321 -7.040 -3.546 1.00 0.00 C ATOM 0 H TRP A 22 4.961 -3.023 2.760 1.00 0.00 H new ATOM 0 HA TRP A 22 3.975 -1.795 0.252 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.000 -4.555 1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.916 -4.149 0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.482 -2.763 0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.637 -3.787 -2.030 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.056 -6.370 -1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.218 -6.031 -3.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.388 -7.850 -3.035 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.469 -7.709 -4.381 1.00 0.00 H new ATOM 383 N VAL A 23 1.492 -1.929 1.017 1.00 0.00 N ATOM 384 CA VAL A 23 0.149 -1.678 1.517 1.00 0.00 C ATOM 385 C VAL A 23 -0.846 -2.032 0.411 1.00 0.00 C ATOM 386 O VAL A 23 -0.604 -1.721 -0.758 1.00 0.00 O ATOM 387 CB VAL A 23 -0.016 -0.214 1.966 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.493 0.062 3.385 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.672 0.784 1.037 1.00 0.00 C ATOM 0 H VAL A 23 1.556 -1.902 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.038 -2.297 2.395 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.096 -0.072 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.342 1.114 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.056 -0.557 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.555 -0.175 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.517 1.796 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.740 0.571 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.251 0.699 0.035 1.00 0.00 H new ATOM 399 N ILE A 24 -1.943 -2.709 0.767 1.00 0.00 N ATOM 400 CA ILE A 24 -2.942 -3.166 -0.194 1.00 0.00 C ATOM 401 C ILE A 24 -4.193 -2.310 -0.107 1.00 0.00 C ATOM 402 O ILE A 24 -5.209 -2.711 0.448 1.00 0.00 O ATOM 403 CB ILE A 24 -3.225 -4.664 -0.043 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.671 -5.067 1.367 1.00 0.00 C ATOM 405 CG2 ILE A 24 -1.951 -5.393 -0.450 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.003 -5.816 1.414 1.00 0.00 C ATOM 0 H ILE A 24 -2.160 -2.954 1.733 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.541 -3.041 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.066 -4.936 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.899 -5.693 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.750 -4.170 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.102 -6.469 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.705 -5.147 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.132 -5.086 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.245 -6.064 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.789 -5.186 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.926 -6.733 0.830 1.00 0.00 H new ATOM 418 N LEU A 25 -4.110 -1.103 -0.651 1.00 0.00 N ATOM 419 CA LEU A 25 -5.219 -0.180 -0.568 1.00 0.00 C ATOM 420 C LEU A 25 -6.323 -0.694 -1.509 1.00 0.00 C ATOM 421 O LEU A 25 -6.089 -0.956 -2.691 1.00 0.00 O ATOM 422 CB LEU A 25 -4.767 1.261 -0.843 1.00 0.00 C ATOM 423 CG LEU A 25 -3.422 1.609 -0.175 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.981 3.015 -0.570 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.467 1.539 1.353 1.00 0.00 C ATOM 0 H LEU A 25 -3.293 -0.749 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.629 -0.140 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.681 1.410 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.532 1.950 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.715 0.859 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.030 3.246 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.864 3.069 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.733 3.736 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.488 1.795 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.210 2.243 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.735 0.529 1.663 1.00 0.00 H new ATOM 437 N HIS A 26 -7.521 -0.886 -0.963 1.00 0.00 N ATOM 438 CA HIS A 26 -8.726 -1.353 -1.614 1.00 0.00 C ATOM 439 C HIS A 26 -8.518 -2.792 -2.060 1.00 0.00 C ATOM 440 O HIS A 26 -8.781 -3.712 -1.295 1.00 0.00 O ATOM 441 CB HIS A 26 -9.178 -0.395 -2.728 1.00 0.00 C ATOM 442 CG HIS A 26 -9.659 0.929 -2.197 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.970 1.270 -1.945 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.878 2.010 -1.887 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.979 2.532 -1.483 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.736 3.041 -1.495 1.00 0.00 N ATOM 0 H HIS A 26 -7.679 -0.702 0.028 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.560 -1.353 -0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.349 -0.226 -3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.977 -0.863 -3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.800 2.057 -1.936 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.860 3.061 -1.150 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.469 3.998 -1.262 1.00 0.00 H new ATOM 454 N HIS A 27 -8.039 -2.984 -3.288 1.00 0.00 N ATOM 455 CA HIS A 27 -7.767 -4.300 -3.846 1.00 0.00 C ATOM 456 C HIS A 27 -6.553 -4.226 -4.776 1.00 0.00 C ATOM 457 O HIS A 27 -6.475 -4.963 -5.760 1.00 0.00 O ATOM 458 CB HIS A 27 -9.028 -4.838 -4.551 1.00 0.00 C ATOM 459 CG HIS A 27 -10.171 -5.241 -3.641 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.514 -5.060 -3.893 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.078 -5.975 -2.485 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.202 -5.667 -2.908 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.370 -6.244 -2.031 1.00 0.00 N ATOM 0 H HIS A 27 -7.828 -2.218 -3.928 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.520 -5.004 -3.052 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.389 -4.075 -5.241 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.745 -5.702 -5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.162 -6.290 -2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.279 -5.686 -2.835 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.629 -6.774 -1.199 1.00 0.00 H new ATOM 471 N LYS A 28 -5.602 -3.333 -4.480 1.00 0.00 N ATOM 472 CA LYS A 28 -4.409 -3.142 -5.288 1.00 0.00 C ATOM 473 C LYS A 28 -3.191 -3.032 -4.375 1.00 0.00 C ATOM 474 O LYS A 28 -3.270 -2.378 -3.340 1.00 0.00 O ATOM 475 CB LYS A 28 -4.596 -1.896 -6.161 1.00 0.00 C ATOM 476 CG LYS A 28 -5.500 -2.137 -7.382 1.00 0.00 C ATOM 477 CD LYS A 28 -4.899 -3.236 -8.272 1.00 0.00 C ATOM 478 CE LYS A 28 -5.226 -3.144 -9.773 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.206 -4.163 -10.205 1.00 0.00 N ATOM 0 H LYS A 28 -5.646 -2.721 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.245 -3.993 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.022 -1.097 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.620 -1.551 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.498 -2.428 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.608 -1.214 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.815 -3.218 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.244 -4.202 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.618 -2.151 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.308 -3.261 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.302 -4.135 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.878 -5.106 -9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.128 -3.966 -9.767 1.00 0.00 H new ATOM 493 N VAL A 29 -2.089 -3.702 -4.738 1.00 0.00 N ATOM 494 CA VAL A 29 -0.883 -3.761 -3.929 1.00 0.00 C ATOM 495 C VAL A 29 0.029 -2.626 -4.397 1.00 0.00 C ATOM 496 O VAL A 29 0.474 -2.604 -5.551 1.00 0.00 O ATOM 497 CB VAL A 29 -0.202 -5.146 -4.014 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.895 -5.252 -2.945 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.171 -6.323 -3.824 1.00 0.00 C ATOM 0 H VAL A 29 -2.018 -4.221 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.121 -3.631 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 29 0.209 -5.216 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.372 -6.230 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.640 -4.473 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.453 -5.128 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.622 -7.262 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.641 -6.252 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.938 -6.291 -4.597 1.00 0.00 H new ATOM 509 N TYR A 30 0.275 -1.667 -3.502 1.00 0.00 N ATOM 510 CA TYR A 30 1.109 -0.509 -3.762 1.00 0.00 C ATOM 511 C TYR A 30 2.402 -0.663 -2.966 1.00 0.00 C ATOM 512 O TYR A 30 2.359 -1.064 -1.799 1.00 0.00 O ATOM 513 CB TYR A 30 0.340 0.757 -3.370 1.00 0.00 C ATOM 514 CG TYR A 30 -0.969 0.925 -4.118 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.953 1.386 -5.441 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.187 0.524 -3.544 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.153 1.524 -6.158 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.391 0.705 -4.250 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.376 1.268 -5.532 1.00 0.00 C ATOM 520 OH TYR A 30 -4.531 1.679 -6.125 1.00 0.00 O ATOM 0 H TYR A 30 -0.112 -1.681 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 30 1.363 -0.428 -4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.137 0.733 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.970 1.627 -3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.014 1.636 -5.912 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.199 0.077 -2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.130 1.828 -7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.328 0.409 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.518 2.654 -6.227 1.00 0.00 H new ATOM 530 N ASP A 31 3.540 -0.365 -3.602 1.00 0.00 N ATOM 531 CA ASP A 31 4.843 -0.356 -2.948 1.00 0.00 C ATOM 532 C ASP A 31 5.188 1.096 -2.685 1.00 0.00 C ATOM 533 O ASP A 31 5.218 1.901 -3.616 1.00 0.00 O ATOM 534 CB ASP A 31 5.929 -1.004 -3.811 1.00 0.00 C ATOM 535 CG ASP A 31 7.239 -1.157 -3.050 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.625 -0.187 -2.366 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.838 -2.251 -3.116 1.00 0.00 O ATOM 0 H ASP A 31 3.578 -0.122 -4.592 1.00 0.00 H new ATOM 0 HA ASP A 31 4.795 -0.937 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.589 -1.983 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.095 -0.399 -4.702 1.00 0.00 H new ATOM 542 N LEU A 32 5.415 1.430 -1.417 1.00 0.00 N ATOM 543 CA LEU A 32 5.707 2.787 -1.007 1.00 0.00 C ATOM 544 C LEU A 32 7.086 2.839 -0.345 1.00 0.00 C ATOM 545 O LEU A 32 7.399 3.781 0.379 1.00 0.00 O ATOM 546 CB LEU A 32 4.572 3.245 -0.093 1.00 0.00 C ATOM 547 CG LEU A 32 3.189 3.095 -0.764 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.154 3.545 0.243 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.969 3.898 -2.055 1.00 0.00 C ATOM 0 H LEU A 32 5.400 0.760 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 32 5.757 3.471 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.592 2.663 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.729 4.287 0.184 1.00 0.00 H new ATOM 0 HG LEU A 32 3.112 2.049 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.159 3.455 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.218 2.921 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.338 4.585 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.964 3.712 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.087 4.961 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.700 3.591 -2.803 1.00 0.00 H new ATOM 561 N THR A 33 7.944 1.857 -0.635 1.00 0.00 N ATOM 562 CA THR A 33 9.288 1.738 -0.097 1.00 0.00 C ATOM 563 C THR A 33 10.086 3.018 -0.322 1.00 0.00 C ATOM 564 O THR A 33 10.666 3.566 0.611 1.00 0.00 O ATOM 565 CB THR A 33 9.960 0.522 -0.743 1.00 0.00 C ATOM 566 OG1 THR A 33 9.234 -0.629 -0.370 1.00 0.00 O ATOM 567 CG2 THR A 33 11.415 0.367 -0.315 1.00 0.00 C ATOM 0 H THR A 33 7.706 1.099 -1.275 1.00 0.00 H new ATOM 0 HA THR A 33 9.246 1.591 0.982 1.00 0.00 H new ATOM 0 HB THR A 33 9.959 0.660 -1.824 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.413 -0.685 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.846 -0.509 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.976 1.255 -0.605 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.465 0.244 0.767 1.00 0.00 H new ATOM 575 N LYS A 34 10.107 3.509 -1.563 1.00 0.00 N ATOM 576 CA LYS A 34 10.782 4.755 -1.902 1.00 0.00 C ATOM 577 C LYS A 34 9.857 5.960 -1.762 1.00 0.00 C ATOM 578 O LYS A 34 10.144 7.020 -2.310 1.00 0.00 O ATOM 579 CB LYS A 34 11.367 4.640 -3.311 1.00 0.00 C ATOM 580 CG LYS A 34 12.509 3.616 -3.314 1.00 0.00 C ATOM 581 CD LYS A 34 13.647 4.120 -4.215 1.00 0.00 C ATOM 582 CE LYS A 34 14.944 3.328 -4.018 1.00 0.00 C ATOM 583 NZ LYS A 34 14.763 1.882 -4.262 1.00 0.00 N ATOM 0 H LYS A 34 9.657 3.053 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 34 11.596 4.921 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.591 4.336 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.735 5.611 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.876 3.461 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.147 2.652 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.338 4.052 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.833 5.173 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.709 3.715 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.308 3.480 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.678 1.397 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.091 1.494 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.393 1.736 -5.223 1.00 0.00 H new ATOM 597 N PHE A 35 8.761 5.807 -1.020 1.00 0.00 N ATOM 598 CA PHE A 35 7.803 6.866 -0.780 1.00 0.00 C ATOM 599 C PHE A 35 7.648 7.152 0.707 1.00 0.00 C ATOM 600 O PHE A 35 6.960 8.097 1.069 1.00 0.00 O ATOM 601 CB PHE A 35 6.481 6.456 -1.406 1.00 0.00 C ATOM 602 CG PHE A 35 5.415 7.532 -1.404 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.654 8.782 -2.008 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.161 7.260 -0.838 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.641 9.753 -2.044 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.139 8.212 -0.908 1.00 0.00 C ATOM 607 CZ PHE A 35 3.388 9.472 -1.475 1.00 0.00 C ATOM 0 H PHE A 35 8.517 4.927 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 35 8.156 7.792 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.663 6.147 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.098 5.585 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.619 8.994 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.984 6.314 -0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.824 10.711 -2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.157 7.978 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.615 10.226 -1.474 1.00 0.00 H new ATOM 617 N LEU A 36 8.295 6.366 1.569 1.00 0.00 N ATOM 618 CA LEU A 36 8.198 6.523 3.004 1.00 0.00 C ATOM 619 C LEU A 36 8.441 7.991 3.387 1.00 0.00 C ATOM 620 O LEU A 36 7.555 8.641 3.932 1.00 0.00 O ATOM 621 CB LEU A 36 9.179 5.545 3.670 1.00 0.00 C ATOM 622 CG LEU A 36 8.767 4.062 3.594 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.725 3.210 4.438 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.327 3.816 4.067 1.00 0.00 C ATOM 0 H LEU A 36 8.903 5.600 1.280 1.00 0.00 H new ATOM 0 HA LEU A 36 7.198 6.279 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.157 5.660 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.291 5.823 4.718 1.00 0.00 H new ATOM 0 HG LEU A 36 8.821 3.776 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.428 2.163 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.741 3.321 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.688 3.541 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.095 2.754 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.225 4.135 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.637 4.384 3.443 1.00 0.00 H new ATOM 636 N GLU A 37 9.609 8.544 3.061 1.00 0.00 N ATOM 637 CA GLU A 37 9.887 9.948 3.340 1.00 0.00 C ATOM 638 C GLU A 37 9.197 10.886 2.343 1.00 0.00 C ATOM 639 O GLU A 37 8.643 11.904 2.746 1.00 0.00 O ATOM 640 CB GLU A 37 11.401 10.182 3.395 1.00 0.00 C ATOM 641 CG GLU A 37 11.868 10.256 4.853 1.00 0.00 C ATOM 642 CD GLU A 37 13.371 10.470 4.934 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.092 9.521 4.556 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.769 11.579 5.348 1.00 0.00 O ATOM 0 H GLU A 37 10.372 8.043 2.606 1.00 0.00 H new ATOM 0 HA GLU A 37 9.467 10.188 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.921 9.375 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.653 11.107 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.353 11.071 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.600 9.336 5.372 1.00 0.00 H new ATOM 651 N GLU A 38 9.254 10.564 1.044 1.00 0.00 N ATOM 652 CA GLU A 38 8.685 11.398 -0.015 1.00 0.00 C ATOM 653 C GLU A 38 7.214 11.754 0.258 1.00 0.00 C ATOM 654 O GLU A 38 6.774 12.861 -0.044 1.00 0.00 O ATOM 655 CB GLU A 38 8.855 10.683 -1.367 1.00 0.00 C ATOM 656 CG GLU A 38 9.902 11.316 -2.290 1.00 0.00 C ATOM 657 CD GLU A 38 9.239 12.185 -3.353 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.036 13.382 -3.066 1.00 0.00 O ATOM 659 OE2 GLU A 38 8.921 11.619 -4.420 1.00 0.00 O ATOM 0 H GLU A 38 9.699 9.713 0.700 1.00 0.00 H new ATOM 0 HA GLU A 38 9.224 12.345 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.131 9.645 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.894 10.671 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.594 11.919 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.490 10.533 -2.770 1.00 0.00 H new ATOM 666 N HIS A 39 6.445 10.817 0.816 1.00 0.00 N ATOM 667 CA HIS A 39 5.054 11.023 1.188 1.00 0.00 C ATOM 668 C HIS A 39 4.858 12.319 1.986 1.00 0.00 C ATOM 669 O HIS A 39 5.358 12.411 3.111 1.00 0.00 O ATOM 670 CB HIS A 39 4.567 9.816 1.990 1.00 0.00 C ATOM 671 CG HIS A 39 3.178 9.977 2.545 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.865 10.049 3.877 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.004 9.906 1.848 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.526 10.009 3.974 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.951 9.888 2.761 1.00 0.00 N ATOM 0 H HIS A 39 6.783 9.877 1.024 1.00 0.00 H new ATOM 0 HA HIS A 39 4.465 11.123 0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.593 8.933 1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.258 9.635 2.813 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.526 10.120 4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.909 9.870 0.773 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.980 10.066 4.904 1.00 0.00 H new ATOM 683 N PRO A 40 4.094 13.298 1.456 1.00 0.00 N ATOM 684 CA PRO A 40 3.822 14.559 2.128 1.00 0.00 C ATOM 685 C PRO A 40 2.880 14.311 3.306 1.00 0.00 C ATOM 686 O PRO A 40 1.678 14.565 3.248 1.00 0.00 O ATOM 687 CB PRO A 40 3.223 15.492 1.071 1.00 0.00 C ATOM 688 CG PRO A 40 2.642 14.553 0.023 1.00 0.00 C ATOM 689 CD PRO A 40 3.413 13.242 0.173 1.00 0.00 C ATOM 0 HA PRO A 40 4.718 15.018 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.454 16.135 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.982 16.146 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.575 14.400 0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.759 14.964 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.736 12.389 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.129 13.120 -0.640 1.00 0.00 H new ATOM 697 N GLY A 41 3.463 13.783 4.376 1.00 0.00 N ATOM 698 CA GLY A 41 2.773 13.329 5.562 1.00 0.00 C ATOM 699 C GLY A 41 3.744 12.571 6.456 1.00 0.00 C ATOM 700 O GLY A 41 3.640 12.670 7.676 1.00 0.00 O ATOM 0 H GLY A 41 4.473 13.657 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.355 14.180 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.938 12.685 5.286 1.00 0.00 H new ATOM 704 N GLY A 42 4.694 11.829 5.866 1.00 0.00 N ATOM 705 CA GLY A 42 5.656 11.071 6.647 1.00 0.00 C ATOM 706 C GLY A 42 5.767 9.626 6.243 1.00 0.00 C ATOM 707 O GLY A 42 4.969 9.145 5.441 1.00 0.00 O ATOM 0 H GLY A 42 4.808 11.744 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.635 11.540 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.377 11.123 7.699 1.00 0.00 H new ATOM 711 N GLU A 43 6.700 8.944 6.910 1.00 0.00 N ATOM 712 CA GLU A 43 6.942 7.529 6.746 1.00 0.00 C ATOM 713 C GLU A 43 6.147 6.739 7.791 1.00 0.00 C ATOM 714 O GLU A 43 5.556 5.720 7.457 1.00 0.00 O ATOM 715 CB GLU A 43 8.457 7.275 6.926 1.00 0.00 C ATOM 716 CG GLU A 43 8.877 5.810 7.193 1.00 0.00 C ATOM 717 CD GLU A 43 8.914 5.389 8.660 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.888 6.290 9.523 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.994 4.161 8.881 1.00 0.00 O ATOM 0 H GLU A 43 7.318 9.381 7.594 1.00 0.00 H new ATOM 0 HA GLU A 43 6.624 7.204 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.971 7.621 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.811 7.889 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.189 5.152 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.866 5.651 6.763 1.00 0.00 H new ATOM 726 N GLU A 44 6.140 7.172 9.058 1.00 0.00 N ATOM 727 CA GLU A 44 5.607 6.363 10.156 1.00 0.00 C ATOM 728 C GLU A 44 4.155 5.978 9.878 1.00 0.00 C ATOM 729 O GLU A 44 3.795 4.806 9.920 1.00 0.00 O ATOM 730 CB GLU A 44 5.766 7.095 11.498 1.00 0.00 C ATOM 731 CG GLU A 44 5.590 6.144 12.696 1.00 0.00 C ATOM 732 CD GLU A 44 5.857 6.831 14.034 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.478 7.916 14.013 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.438 6.256 15.061 1.00 0.00 O ATOM 0 H GLU A 44 6.499 8.082 9.346 1.00 0.00 H new ATOM 0 HA GLU A 44 6.181 5.439 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.752 7.558 11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.033 7.899 11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.576 5.745 12.693 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.267 5.297 12.585 1.00 0.00 H new ATOM 741 N VAL A 45 3.338 6.960 9.495 1.00 0.00 N ATOM 742 CA VAL A 45 1.971 6.746 9.050 1.00 0.00 C ATOM 743 C VAL A 45 1.906 5.655 7.967 1.00 0.00 C ATOM 744 O VAL A 45 0.979 4.856 7.955 1.00 0.00 O ATOM 745 CB VAL A 45 1.358 8.093 8.618 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.305 9.084 9.792 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.076 8.725 7.419 1.00 0.00 C ATOM 0 H VAL A 45 3.618 7.941 9.487 1.00 0.00 H new ATOM 0 HA VAL A 45 1.364 6.368 9.872 1.00 0.00 H new ATOM 0 HB VAL A 45 0.341 7.869 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.868 10.024 9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.695 8.667 10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.314 9.265 10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.597 9.670 7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.120 8.905 7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.022 8.050 6.565 1.00 0.00 H new ATOM 757 N LEU A 46 2.909 5.564 7.088 1.00 0.00 N ATOM 758 CA LEU A 46 3.015 4.496 6.101 1.00 0.00 C ATOM 759 C LEU A 46 3.466 3.165 6.698 1.00 0.00 C ATOM 760 O LEU A 46 2.966 2.108 6.313 1.00 0.00 O ATOM 761 CB LEU A 46 3.890 4.924 4.907 1.00 0.00 C ATOM 762 CG LEU A 46 3.139 5.714 3.828 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.995 4.883 3.246 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.520 7.003 4.327 1.00 0.00 C ATOM 0 H LEU A 46 3.674 6.237 7.045 1.00 0.00 H new ATOM 0 HA LEU A 46 2.006 4.319 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.717 5.531 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.326 4.034 4.453 1.00 0.00 H new ATOM 0 HG LEU A 46 3.900 5.951 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.476 5.463 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.397 3.973 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.296 4.620 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.008 7.503 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.805 6.780 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.302 7.655 4.717 1.00 0.00 H new ATOM 776 N ARG A 47 4.411 3.207 7.630 1.00 0.00 N ATOM 777 CA ARG A 47 5.008 2.032 8.247 1.00 0.00 C ATOM 778 C ARG A 47 4.211 1.565 9.476 1.00 0.00 C ATOM 779 O ARG A 47 4.626 0.621 10.144 1.00 0.00 O ATOM 780 CB ARG A 47 6.476 2.374 8.556 1.00 0.00 C ATOM 781 CG ARG A 47 7.477 1.274 8.187 1.00 0.00 C ATOM 782 CD ARG A 47 7.614 0.160 9.229 1.00 0.00 C ATOM 783 NE ARG A 47 9.011 -0.298 9.337 1.00 0.00 N ATOM 784 CZ ARG A 47 9.670 -1.117 8.496 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.118 -1.560 7.363 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.919 -1.496 8.784 1.00 0.00 N ATOM 0 H ARG A 47 4.792 4.084 7.986 1.00 0.00 H new ATOM 0 HA ARG A 47 4.978 1.179 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.744 3.285 8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.569 2.590 9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.176 0.831 7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.455 1.729 8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.271 0.521 10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.973 -0.678 8.956 1.00 0.00 H new ATOM 0 HE ARG A 47 9.538 0.045 10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.170 -1.278 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.645 -2.180 6.747 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.368 -1.165 9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.423 -2.116 8.150 1.00 0.00 H new ATOM 800 N GLU A 48 3.067 2.204 9.751 1.00 0.00 N ATOM 801 CA GLU A 48 2.214 1.949 10.902 1.00 0.00 C ATOM 802 C GLU A 48 1.712 0.511 10.883 1.00 0.00 C ATOM 803 O GLU A 48 1.934 -0.259 11.813 1.00 0.00 O ATOM 804 CB GLU A 48 1.040 2.953 10.901 1.00 0.00 C ATOM 805 CG GLU A 48 1.073 3.875 12.124 1.00 0.00 C ATOM 806 CD GLU A 48 0.705 3.115 13.391 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.436 2.606 13.422 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.566 3.045 14.292 1.00 0.00 O ATOM 0 H GLU A 48 2.702 2.942 9.148 1.00 0.00 H new ATOM 0 HA GLU A 48 2.788 2.085 11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.078 3.554 9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.096 2.408 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.068 4.307 12.231 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.380 4.703 11.978 1.00 0.00 H new ATOM 815 N GLN A 49 1.033 0.161 9.790 1.00 0.00 N ATOM 816 CA GLN A 49 0.505 -1.174 9.586 1.00 0.00 C ATOM 817 C GLN A 49 1.444 -1.889 8.628 1.00 0.00 C ATOM 818 O GLN A 49 2.091 -2.869 8.998 1.00 0.00 O ATOM 819 CB GLN A 49 -0.930 -1.078 9.048 1.00 0.00 C ATOM 820 CG GLN A 49 -1.922 -0.789 10.185 1.00 0.00 C ATOM 821 CD GLN A 49 -2.366 -2.075 10.880 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.665 -2.611 11.731 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.532 -2.600 10.509 1.00 0.00 N ATOM 0 H GLN A 49 0.837 0.804 9.022 1.00 0.00 H new ATOM 0 HA GLN A 49 0.453 -1.741 10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.990 -0.289 8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.200 -2.010 8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.459 -0.122 10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.794 -0.270 9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.098 -2.135 9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.860 -3.467 10.935 1.00 0.00 H new ATOM 832 N ALA A 50 1.518 -1.371 7.398 1.00 0.00 N ATOM 833 CA ALA A 50 2.153 -2.036 6.272 1.00 0.00 C ATOM 834 C ALA A 50 1.541 -3.424 6.020 1.00 0.00 C ATOM 835 O ALA A 50 0.709 -3.897 6.790 1.00 0.00 O ATOM 836 CB ALA A 50 3.671 -2.065 6.479 1.00 0.00 C ATOM 0 H ALA A 50 1.128 -0.459 7.160 1.00 0.00 H new ATOM 0 HA ALA A 50 1.963 -1.469 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.144 -2.564 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.047 -1.045 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.903 -2.607 7.396 1.00 0.00 H new ATOM 842 N GLY A 51 1.932 -4.055 4.911 1.00 0.00 N ATOM 843 CA GLY A 51 1.580 -5.416 4.526 1.00 0.00 C ATOM 844 C GLY A 51 0.171 -5.829 4.951 1.00 0.00 C ATOM 845 O GLY A 51 -0.003 -6.750 5.745 1.00 0.00 O ATOM 0 H GLY A 51 2.535 -3.603 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.666 -5.512 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.300 -6.106 4.966 1.00 0.00 H new ATOM 849 N GLY A 52 -0.854 -5.143 4.450 1.00 0.00 N ATOM 850 CA GLY A 52 -2.210 -5.362 4.896 1.00 0.00 C ATOM 851 C GLY A 52 -3.064 -4.220 4.382 1.00 0.00 C ATOM 852 O GLY A 52 -2.546 -3.288 3.752 1.00 0.00 O ATOM 0 H GLY A 52 -0.760 -4.427 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.584 -6.315 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.250 -5.408 5.984 1.00 0.00 H new ATOM 856 N ASP A 53 -4.372 -4.338 4.612 1.00 0.00 N ATOM 857 CA ASP A 53 -5.350 -3.368 4.161 1.00 0.00 C ATOM 858 C ASP A 53 -5.202 -2.074 4.949 1.00 0.00 C ATOM 859 O ASP A 53 -5.853 -1.856 5.970 1.00 0.00 O ATOM 860 CB ASP A 53 -6.780 -3.923 4.237 1.00 0.00 C ATOM 861 CG ASP A 53 -7.747 -2.933 3.605 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.253 -1.874 3.158 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.956 -3.244 3.581 1.00 0.00 O ATOM 0 H ASP A 53 -4.779 -5.121 5.123 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.160 -3.152 3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.837 -4.882 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.056 -4.103 5.276 1.00 0.00 H new ATOM 868 N ALA A 54 -4.339 -1.200 4.439 1.00 0.00 N ATOM 869 CA ALA A 54 -4.167 0.133 4.982 1.00 0.00 C ATOM 870 C ALA A 54 -5.277 1.080 4.502 1.00 0.00 C ATOM 871 O ALA A 54 -5.235 2.266 4.839 1.00 0.00 O ATOM 872 CB ALA A 54 -2.761 0.644 4.644 1.00 0.00 C ATOM 0 H ALA A 54 -3.742 -1.401 3.637 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.257 0.097 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.630 1.646 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.017 -0.024 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.635 0.673 3.562 1.00 0.00 H new ATOM 878 N THR A 55 -6.272 0.602 3.736 1.00 0.00 N ATOM 879 CA THR A 55 -7.386 1.447 3.343 1.00 0.00 C ATOM 880 C THR A 55 -8.052 2.067 4.553 1.00 0.00 C ATOM 881 O THR A 55 -8.402 3.235 4.475 1.00 0.00 O ATOM 882 CB THR A 55 -8.409 0.706 2.487 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.718 0.375 1.323 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.586 1.562 2.025 1.00 0.00 C ATOM 0 H THR A 55 -6.318 -0.355 3.386 1.00 0.00 H new ATOM 0 HA THR A 55 -6.970 2.244 2.727 1.00 0.00 H new ATOM 0 HB THR A 55 -8.812 -0.118 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.682 1.155 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.263 0.956 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.119 1.947 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.217 2.396 1.427 1.00 0.00 H new ATOM 892 N GLU A 56 -8.215 1.316 5.647 1.00 0.00 N ATOM 893 CA GLU A 56 -8.822 1.827 6.869 1.00 0.00 C ATOM 894 C GLU A 56 -8.247 3.217 7.188 1.00 0.00 C ATOM 895 O GLU A 56 -8.971 4.210 7.155 1.00 0.00 O ATOM 896 CB GLU A 56 -8.647 0.781 7.987 1.00 0.00 C ATOM 897 CG GLU A 56 -9.575 1.004 9.193 1.00 0.00 C ATOM 898 CD GLU A 56 -8.901 1.745 10.341 1.00 0.00 C ATOM 899 OE1 GLU A 56 -8.113 2.663 10.038 1.00 0.00 O ATOM 900 OE2 GLU A 56 -9.178 1.361 11.498 1.00 0.00 O ATOM 0 H GLU A 56 -7.929 0.339 5.705 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.896 1.976 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.832 -0.211 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.612 0.797 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.451 1.567 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.932 0.039 9.552 1.00 0.00 H new ATOM 907 N ASN A 57 -6.923 3.308 7.332 1.00 0.00 N ATOM 908 CA ASN A 57 -6.221 4.557 7.599 1.00 0.00 C ATOM 909 C ASN A 57 -6.335 5.522 6.414 1.00 0.00 C ATOM 910 O ASN A 57 -6.619 6.708 6.580 1.00 0.00 O ATOM 911 CB ASN A 57 -4.739 4.260 7.857 1.00 0.00 C ATOM 912 CG ASN A 57 -4.377 4.107 9.331 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.689 3.101 9.955 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.648 5.074 9.885 1.00 0.00 N ATOM 0 H ASN A 57 -6.303 2.501 7.265 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.676 5.024 8.473 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.467 3.345 7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.140 5.064 7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.336 4.987 10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.402 5.902 9.342 1.00 0.00 H new ATOM 921 N PHE A 58 -6.043 5.031 5.206 1.00 0.00 N ATOM 922 CA PHE A 58 -6.024 5.852 3.998 1.00 0.00 C ATOM 923 C PHE A 58 -7.336 6.635 3.837 1.00 0.00 C ATOM 924 O PHE A 58 -7.314 7.830 3.530 1.00 0.00 O ATOM 925 CB PHE A 58 -5.768 4.941 2.792 1.00 0.00 C ATOM 926 CG PHE A 58 -5.522 5.637 1.470 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.346 6.380 1.277 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.440 5.503 0.411 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.099 7.012 0.046 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.186 6.124 -0.823 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.019 6.885 -1.006 1.00 0.00 C ATOM 0 H PHE A 58 -5.813 4.051 5.041 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.225 6.590 4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.906 4.312 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.625 4.277 2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.628 6.466 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.340 4.922 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.201 7.596 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.890 6.016 -1.634 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.831 7.370 -1.952 1.00 0.00 H new ATOM 941 N GLU A 59 -8.458 5.943 4.067 1.00 0.00 N ATOM 942 CA GLU A 59 -9.831 6.420 3.986 1.00 0.00 C ATOM 943 C GLU A 59 -10.240 7.164 5.258 1.00 0.00 C ATOM 944 O GLU A 59 -11.048 8.085 5.174 1.00 0.00 O ATOM 945 CB GLU A 59 -10.794 5.253 3.723 1.00 0.00 C ATOM 946 CG GLU A 59 -10.748 4.751 2.266 1.00 0.00 C ATOM 947 CD GLU A 59 -11.384 5.700 1.248 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.390 6.343 1.614 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.892 5.724 0.097 1.00 0.00 O ATOM 0 H GLU A 59 -8.419 4.960 4.335 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.888 7.120 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.549 4.429 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.810 5.567 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.708 4.582 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.254 3.787 2.211 1.00 0.00 H new ATOM 956 N ASP A 60 -9.679 6.808 6.423 1.00 0.00 N ATOM 957 CA ASP A 60 -9.856 7.590 7.648 1.00 0.00 C ATOM 958 C ASP A 60 -9.575 9.068 7.358 1.00 0.00 C ATOM 959 O ASP A 60 -10.315 9.953 7.783 1.00 0.00 O ATOM 960 CB ASP A 60 -8.945 7.068 8.771 1.00 0.00 C ATOM 961 CG ASP A 60 -9.372 7.603 10.131 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.511 7.286 10.535 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.551 8.316 10.745 1.00 0.00 O ATOM 0 H ASP A 60 -9.097 5.979 6.539 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.886 7.485 7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.969 5.978 8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.915 7.361 8.571 1.00 0.00 H new ATOM 968 N VAL A 61 -8.526 9.318 6.563 1.00 0.00 N ATOM 969 CA VAL A 61 -8.212 10.638 6.024 1.00 0.00 C ATOM 970 C VAL A 61 -8.906 10.897 4.677 1.00 0.00 C ATOM 971 O VAL A 61 -9.205 12.044 4.350 1.00 0.00 O ATOM 972 CB VAL A 61 -6.686 10.813 5.952 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.294 12.152 5.311 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.105 10.760 7.371 1.00 0.00 C ATOM 0 H VAL A 61 -7.866 8.596 6.275 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.609 11.396 6.699 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.287 10.008 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.208 12.236 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.691 12.200 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.704 12.972 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.023 10.884 7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.537 11.561 7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.342 9.798 7.825 1.00 0.00 H new ATOM 984 N GLY A 62 -9.125 9.872 3.852 1.00 0.00 N ATOM 985 CA GLY A 62 -9.815 10.005 2.574 1.00 0.00 C ATOM 986 C GLY A 62 -8.807 10.220 1.451 1.00 0.00 C ATOM 987 O GLY A 62 -8.845 9.512 0.447 1.00 0.00 O ATOM 0 H GLY A 62 -8.825 8.919 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.405 9.110 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.511 10.843 2.614 1.00 0.00 H new ATOM 991 N HIS A 63 -7.913 11.198 1.647 1.00 0.00 N ATOM 992 CA HIS A 63 -6.938 11.686 0.670 1.00 0.00 C ATOM 993 C HIS A 63 -7.621 12.404 -0.498 1.00 0.00 C ATOM 994 O HIS A 63 -8.789 12.160 -0.797 1.00 0.00 O ATOM 995 CB HIS A 63 -6.016 10.572 0.148 1.00 0.00 C ATOM 996 CG HIS A 63 -4.955 10.127 1.116 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.133 9.398 2.272 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.614 10.337 0.952 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.906 9.206 2.799 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.941 9.737 2.018 1.00 0.00 N ATOM 0 H HIS A 63 -7.849 11.693 2.536 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.313 12.405 1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.627 9.710 -0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.533 10.918 -0.766 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.019 9.068 2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.154 10.875 0.137 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.719 8.691 3.730 1.00 0.00 H new ATOM 1008 N SER A 64 -6.893 13.296 -1.180 1.00 0.00 N ATOM 1009 CA SER A 64 -7.414 13.899 -2.397 1.00 0.00 C ATOM 1010 C SER A 64 -7.287 12.950 -3.591 1.00 0.00 C ATOM 1011 O SER A 64 -6.472 12.024 -3.614 1.00 0.00 O ATOM 1012 CB SER A 64 -6.709 15.226 -2.675 1.00 0.00 C ATOM 1013 OG SER A 64 -6.934 16.103 -1.592 1.00 0.00 O ATOM 0 H SER A 64 -5.960 13.607 -0.911 1.00 0.00 H new ATOM 0 HA SER A 64 -8.476 14.095 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.640 15.063 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.085 15.665 -3.599 1.00 0.00 H new ATOM 0 HG SER A 64 -6.483 16.956 -1.763 1.00 0.00 H new ATOM 1019 N THR A 65 -8.080 13.231 -4.625 1.00 0.00 N ATOM 1020 CA THR A 65 -8.101 12.478 -5.872 1.00 0.00 C ATOM 1021 C THR A 65 -6.720 12.472 -6.535 1.00 0.00 C ATOM 1022 O THR A 65 -6.312 11.473 -7.129 1.00 0.00 O ATOM 1023 CB THR A 65 -9.193 13.048 -6.785 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.427 12.920 -6.103 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.267 12.317 -8.129 1.00 0.00 C ATOM 0 H THR A 65 -8.740 14.008 -4.615 1.00 0.00 H new ATOM 0 HA THR A 65 -8.341 11.434 -5.669 1.00 0.00 H new ATOM 0 HB THR A 65 -8.963 14.090 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.148 13.278 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.055 12.757 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.312 12.410 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.486 11.263 -7.958 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.987 13.576 -6.383 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.626 13.698 -6.878 1.00 0.00 C ATOM 1035 C ASP A 66 -3.796 12.510 -6.381 1.00 0.00 C ATOM 1036 O ASP A 66 -3.107 11.848 -7.147 1.00 0.00 O ATOM 1037 CB ASP A 66 -4.045 15.043 -6.402 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.017 15.651 -7.354 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -2.986 15.245 -8.532 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.294 16.553 -6.882 1.00 0.00 O ATOM 0 H ASP A 66 -6.328 14.412 -5.909 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.606 13.683 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.862 15.752 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.581 14.901 -5.426 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.924 12.189 -5.088 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.237 11.060 -4.472 1.00 0.00 C ATOM 1047 C ALA A 67 -3.796 9.719 -4.960 1.00 0.00 C ATOM 1048 O ALA A 67 -3.039 8.774 -5.185 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.327 11.158 -2.949 1.00 0.00 C ATOM 0 H ALA A 67 -4.513 12.712 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.190 11.103 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.811 10.310 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.861 12.085 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.374 11.149 -2.645 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.123 9.615 -5.104 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.772 8.411 -5.623 1.00 0.00 C ATOM 1057 C ARG A 68 -5.128 7.963 -6.931 1.00 0.00 C ATOM 1058 O ARG A 68 -4.650 6.833 -7.023 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.267 8.643 -5.869 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.122 8.533 -4.606 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.563 7.082 -4.375 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.956 7.026 -3.908 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.592 5.896 -3.575 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.936 4.738 -3.664 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.869 5.934 -3.182 1.00 0.00 N ATOM 0 H ARG A 68 -5.773 10.363 -4.864 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.647 7.636 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.405 9.632 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.622 7.919 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.555 8.888 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.998 9.175 -4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.462 6.515 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.910 6.611 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.470 7.904 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.967 4.724 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.404 3.866 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.362 6.826 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.351 5.071 -2.929 1.00 0.00 H new ATOM 1079 N GLU A 69 -5.131 8.820 -7.954 1.00 0.00 N ATOM 1080 CA GLU A 69 -4.558 8.431 -9.237 1.00 0.00 C ATOM 1081 C GLU A 69 -3.051 8.183 -9.094 1.00 0.00 C ATOM 1082 O GLU A 69 -2.493 7.299 -9.747 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.927 9.448 -10.322 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.216 10.793 -10.173 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.833 11.810 -11.119 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -5.885 12.367 -10.735 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.286 11.950 -12.234 1.00 0.00 O ATOM 0 H GLU A 69 -5.514 9.765 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.987 7.484 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.687 9.027 -11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.004 9.613 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.296 11.145 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.154 10.679 -10.390 1.00 0.00 H new ATOM 1094 N LEU A 70 -2.399 8.907 -8.179 1.00 0.00 N ATOM 1095 CA LEU A 70 -1.004 8.694 -7.860 1.00 0.00 C ATOM 1096 C LEU A 70 -0.778 7.265 -7.368 1.00 0.00 C ATOM 1097 O LEU A 70 0.206 6.644 -7.765 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.551 9.739 -6.831 1.00 0.00 C ATOM 1099 CG LEU A 70 0.788 10.416 -7.141 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.922 9.412 -7.095 1.00 0.00 C ATOM 1101 CD2 LEU A 70 0.749 11.177 -8.473 1.00 0.00 C ATOM 0 H LEU A 70 -2.835 9.657 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.398 8.819 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.320 10.508 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.481 9.259 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 70 0.972 11.159 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.863 9.915 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.975 8.968 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.745 8.629 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.718 11.642 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.522 10.483 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.021 11.947 -8.429 1.00 0.00 H new ATOM 1113 N SER A 71 -1.688 6.709 -6.552 1.00 0.00 N ATOM 1114 CA SER A 71 -1.578 5.316 -6.125 1.00 0.00 C ATOM 1115 C SER A 71 -1.300 4.426 -7.334 1.00 0.00 C ATOM 1116 O SER A 71 -0.372 3.627 -7.314 1.00 0.00 O ATOM 1117 CB SER A 71 -2.798 4.830 -5.321 1.00 0.00 C ATOM 1118 OG SER A 71 -3.885 4.392 -6.122 1.00 0.00 O ATOM 0 H SER A 71 -2.500 7.203 -6.181 1.00 0.00 H new ATOM 0 HA SER A 71 -0.737 5.249 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.488 4.012 -4.670 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.140 5.639 -4.676 1.00 0.00 H new ATOM 0 HG SER A 71 -4.387 5.169 -6.446 1.00 0.00 H new ATOM 1124 N LYS A 72 -2.058 4.604 -8.417 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.892 3.820 -9.628 1.00 0.00 C ATOM 1126 C LYS A 72 -0.450 3.860 -10.149 1.00 0.00 C ATOM 1127 O LYS A 72 0.114 2.826 -10.489 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.895 4.270 -10.697 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.841 3.117 -11.043 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.671 3.468 -12.280 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.536 2.266 -12.688 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.175 2.469 -14.004 1.00 0.00 N ATOM 0 H LYS A 72 -2.803 5.298 -8.473 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.100 2.779 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.467 5.125 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.364 4.597 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.267 2.209 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.500 2.912 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.305 4.329 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.013 3.749 -13.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.919 1.368 -12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.304 2.099 -11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.750 1.636 -14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.784 3.311 -13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.442 2.603 -14.729 1.00 0.00 H new ATOM 1146 N THR A 73 0.171 5.039 -10.182 1.00 0.00 N ATOM 1147 CA THR A 73 1.569 5.181 -10.565 1.00 0.00 C ATOM 1148 C THR A 73 2.505 4.356 -9.658 1.00 0.00 C ATOM 1149 O THR A 73 3.607 4.006 -10.073 1.00 0.00 O ATOM 1150 CB THR A 73 1.888 6.685 -10.606 1.00 0.00 C ATOM 1151 OG1 THR A 73 1.262 7.259 -11.736 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.376 7.005 -10.669 1.00 0.00 C ATOM 0 H THR A 73 -0.284 5.920 -9.943 1.00 0.00 H new ATOM 0 HA THR A 73 1.744 4.765 -11.557 1.00 0.00 H new ATOM 0 HB THR A 73 1.513 7.101 -9.671 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.460 8.218 -11.767 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.515 8.086 -10.695 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.874 6.596 -9.790 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.806 6.562 -11.568 1.00 0.00 H new ATOM 1160 N TYR A 74 2.080 4.038 -8.431 1.00 0.00 N ATOM 1161 CA TYR A 74 2.852 3.322 -7.423 1.00 0.00 C ATOM 1162 C TYR A 74 2.357 1.877 -7.295 1.00 0.00 C ATOM 1163 O TYR A 74 2.778 1.136 -6.403 1.00 0.00 O ATOM 1164 CB TYR A 74 2.702 4.059 -6.087 1.00 0.00 C ATOM 1165 CG TYR A 74 3.469 5.365 -5.985 1.00 0.00 C ATOM 1166 CD1 TYR A 74 3.378 6.352 -6.985 1.00 0.00 C ATOM 1167 CD2 TYR A 74 4.307 5.598 -4.883 1.00 0.00 C ATOM 1168 CE1 TYR A 74 4.179 7.500 -6.926 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.911 6.853 -4.727 1.00 0.00 C ATOM 1170 CZ TYR A 74 4.812 7.825 -5.725 1.00 0.00 C ATOM 1171 OH TYR A 74 5.242 9.097 -5.502 1.00 0.00 O ATOM 0 H TYR A 74 1.146 4.286 -8.104 1.00 0.00 H new ATOM 0 HA TYR A 74 3.902 3.290 -7.714 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.644 4.262 -5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.032 3.398 -5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.686 6.223 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.485 4.815 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.305 8.125 -7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.460 7.071 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 74 5.284 9.264 -4.537 1.00 0.00 H new ATOM 1181 N ILE A 75 1.435 1.475 -8.172 1.00 0.00 N ATOM 1182 CA ILE A 75 0.912 0.128 -8.198 1.00 0.00 C ATOM 1183 C ILE A 75 2.038 -0.791 -8.620 1.00 0.00 C ATOM 1184 O ILE A 75 2.677 -0.572 -9.648 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.319 0.064 -9.108 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.339 -0.937 -8.558 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.017 -0.250 -10.583 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.658 -0.756 -9.305 1.00 0.00 C ATOM 0 H ILE A 75 1.035 2.086 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 75 0.565 -0.197 -7.217 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.732 1.073 -9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.972 -1.956 -8.681 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.485 -0.778 -7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.949 -0.274 -11.148 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.636 0.521 -10.993 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.476 -1.219 -10.655 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.393 -1.464 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.023 0.261 -9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.501 -0.935 -10.369 1.00 0.00 H new ATOM 1200 N ILE A 76 2.299 -1.807 -7.810 1.00 0.00 N ATOM 1201 CA ILE A 76 3.281 -2.808 -8.166 1.00 0.00 C ATOM 1202 C ILE A 76 2.584 -4.097 -8.559 1.00 0.00 C ATOM 1203 O ILE A 76 3.086 -4.796 -9.432 1.00 0.00 O ATOM 1204 CB ILE A 76 4.290 -2.985 -7.036 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.598 -3.353 -5.713 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.111 -1.696 -6.907 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.333 -4.480 -5.018 1.00 0.00 C ATOM 0 H ILE A 76 1.845 -1.955 -6.909 1.00 0.00 H new ATOM 0 HA ILE A 76 3.851 -2.481 -9.036 1.00 0.00 H new ATOM 0 HB ILE A 76 4.957 -3.815 -7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.561 -2.480 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.567 -3.650 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.838 -1.807 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.633 -1.502 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.446 -0.862 -6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.826 -4.724 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.347 -5.358 -5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.356 -4.170 -4.805 1.00 0.00 H new ATOM 1219 N GLY A 77 1.442 -4.397 -7.933 1.00 0.00 N ATOM 1220 CA GLY A 77 0.763 -5.667 -8.039 1.00 0.00 C ATOM 1221 C GLY A 77 -0.684 -5.499 -7.601 1.00 0.00 C ATOM 1222 O GLY A 77 -1.143 -4.385 -7.332 1.00 0.00 O ATOM 0 H GLY A 77 0.960 -3.736 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.805 -6.031 -9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.260 -6.411 -7.417 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.410 -6.606 -7.504 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.804 -6.611 -7.127 1.00 0.00 C ATOM 1228 C GLU A 78 -3.118 -7.816 -6.251 1.00 0.00 C ATOM 1229 O GLU A 78 -2.380 -8.805 -6.245 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.687 -6.470 -8.371 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.215 -7.160 -9.656 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.188 -6.881 -10.798 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.375 -6.621 -10.487 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -3.738 -6.832 -11.957 1.00 0.00 O ATOM 0 H GLU A 78 -1.034 -7.536 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.032 -5.744 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.677 -6.855 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.802 -5.407 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.220 -6.804 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.136 -8.235 -9.491 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.173 -7.689 -5.442 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.574 -8.769 -4.563 1.00 0.00 C ATOM 1243 C LEU A 79 -4.929 -9.989 -5.404 1.00 0.00 C ATOM 1244 O LEU A 79 -5.627 -9.863 -6.411 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.740 -8.345 -3.660 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.332 -7.352 -2.559 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.493 -7.162 -1.578 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.118 -7.874 -1.792 1.00 0.00 C ATOM 0 H LEU A 79 -4.755 -6.853 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.745 -9.025 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.520 -7.894 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.172 -9.232 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.080 -6.401 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.200 -6.458 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.360 -6.773 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.746 -8.120 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.843 -7.159 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.362 -8.832 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.282 -8.004 -2.479 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.400 -11.148 -5.003 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.543 -12.410 -5.707 1.00 0.00 C ATOM 1262 C HIS A 80 -5.986 -12.606 -6.184 1.00 0.00 C ATOM 1263 O HIS A 80 -6.913 -12.358 -5.413 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.109 -13.541 -4.772 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.792 -14.821 -5.487 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.550 -15.967 -5.485 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.671 -15.059 -6.234 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.905 -16.870 -6.245 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.762 -16.359 -6.731 1.00 0.00 N ATOM 0 H HIS A 80 -3.844 -11.229 -4.152 1.00 0.00 H new ATOM 0 HA HIS A 80 -3.910 -12.412 -6.594 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.231 -13.221 -4.211 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.901 -13.726 -4.047 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.862 -14.365 -6.408 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.259 -17.872 -6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.093 -16.828 -7.342 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.215 -13.028 -7.437 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.556 -13.062 -7.975 1.00 0.00 C ATOM 1279 C PRO A 81 -8.364 -14.136 -7.261 1.00 0.00 C ATOM 1280 O PRO A 81 -9.538 -13.926 -6.996 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.414 -13.310 -9.476 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.044 -13.969 -9.636 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.265 -13.612 -8.368 1.00 0.00 C ATOM 0 HA PRO A 81 -8.097 -12.129 -7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.209 -13.956 -9.847 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.473 -12.378 -10.038 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.139 -15.049 -9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.534 -13.601 -10.526 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.800 -14.499 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.463 -12.909 -8.593 1.00 0.00 H new