USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 564 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 45 ASN : amide:sc= 0.412 X(o=0.79,f=0.5) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0.375 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0.334 USER MOD Set 2.2: A 46 HIS : no HD1:sc= 0.262 K(o=0.6,f=-2.4) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.07) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -173:sc= 0 (180deg=-0.0742) USER MOD Single : A 26 GLN : amide:sc= 1.45 K(o=1.5,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 81:sc= 0.341 USER MOD Single : A 42 SER OG : rot -28:sc= 0.684 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 53 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=-0.067) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.537 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.07 K(o=1.1,f=-0.53) USER MOD Single : A 67 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.05) USER MOD Single : A 71 ASN : amide:sc= 0.721 K(o=0.72,f=-3.7!) USER MOD Single : A 73 THR OG1 : rot 59:sc= 1.85 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 12.166 -5.516 -15.266 1.00 0.00 N ATOM 92 CA ILE A 7 12.100 -5.700 -13.810 1.00 0.00 C ATOM 93 C ILE A 7 13.472 -5.391 -13.184 1.00 0.00 C ATOM 94 O ILE A 7 14.507 -5.795 -13.721 1.00 0.00 O ATOM 95 CB ILE A 7 11.615 -7.130 -13.464 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.288 -7.459 -14.195 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.468 -7.300 -11.940 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.696 -8.840 -13.890 1.00 0.00 C ATOM 0 HA ILE A 7 11.374 -5.004 -13.389 1.00 0.00 H new ATOM 0 HB ILE A 7 12.368 -7.838 -13.811 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.551 -6.700 -13.933 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.456 -7.383 -15.269 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.126 -8.311 -11.718 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.432 -7.129 -11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.742 -6.580 -11.562 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.770 -8.971 -14.450 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.408 -9.613 -14.180 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.488 -8.919 -12.823 1.00 0.00 H new ATOM 110 N VAL A 8 13.489 -4.702 -12.038 1.00 0.00 N ATOM 111 CA VAL A 8 14.710 -4.272 -11.328 1.00 0.00 C ATOM 112 C VAL A 8 14.680 -4.661 -9.848 1.00 0.00 C ATOM 113 O VAL A 8 13.696 -4.412 -9.149 1.00 0.00 O ATOM 114 CB VAL A 8 14.957 -2.756 -11.500 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.402 -2.435 -12.932 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.755 -1.863 -11.164 1.00 0.00 C ATOM 0 H VAL A 8 12.633 -4.418 -11.561 1.00 0.00 H new ATOM 0 HA VAL A 8 15.546 -4.802 -11.784 1.00 0.00 H new ATOM 0 HB VAL A 8 15.740 -2.529 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.570 -1.362 -13.029 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.326 -2.968 -13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.627 -2.746 -13.632 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.025 -0.818 -11.315 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.918 -2.119 -11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.467 -2.017 -10.124 1.00 0.00 H new ATOM 126 N LYS A 9 15.770 -5.254 -9.344 1.00 0.00 N ATOM 127 CA LYS A 9 15.977 -5.501 -7.906 1.00 0.00 C ATOM 128 C LYS A 9 16.195 -4.191 -7.159 1.00 0.00 C ATOM 129 O LYS A 9 16.832 -3.272 -7.678 1.00 0.00 O ATOM 130 CB LYS A 9 17.177 -6.434 -7.667 1.00 0.00 C ATOM 131 CG LYS A 9 16.893 -7.863 -8.144 1.00 0.00 C ATOM 132 CD LYS A 9 18.176 -8.709 -8.143 1.00 0.00 C ATOM 133 CE LYS A 9 18.014 -10.074 -8.829 1.00 0.00 C ATOM 134 NZ LYS A 9 17.057 -10.968 -8.127 1.00 0.00 N ATOM 0 H LYS A 9 16.542 -5.580 -9.926 1.00 0.00 H new ATOM 0 HA LYS A 9 15.077 -5.985 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.050 -6.044 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.421 -6.447 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.148 -8.325 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.471 -7.838 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.969 -8.152 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.497 -8.865 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.675 -9.921 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.986 -10.564 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.151 -11.936 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.263 -10.965 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.086 -10.630 -8.285 1.00 0.00 H new ATOM 148 N VAL A 10 15.724 -4.143 -5.920 1.00 0.00 N ATOM 149 CA VAL A 10 15.881 -3.009 -4.989 1.00 0.00 C ATOM 150 C VAL A 10 16.073 -3.488 -3.548 1.00 0.00 C ATOM 151 O VAL A 10 15.575 -4.548 -3.164 1.00 0.00 O ATOM 152 CB VAL A 10 14.704 -2.010 -5.077 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.592 -1.368 -6.466 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.345 -2.625 -4.713 1.00 0.00 C ATOM 0 H VAL A 10 15.201 -4.917 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 10 16.783 -2.480 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 10 14.943 -1.248 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.751 -0.674 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.512 -0.828 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.433 -2.145 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.568 -1.866 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.124 -3.448 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.377 -2.999 -3.690 1.00 0.00 H new ATOM 164 N ALA A 11 16.779 -2.691 -2.741 1.00 0.00 N ATOM 165 CA ALA A 11 16.948 -2.902 -1.299 1.00 0.00 C ATOM 166 C ALA A 11 16.321 -1.734 -0.524 1.00 0.00 C ATOM 167 O ALA A 11 16.753 -0.593 -0.680 1.00 0.00 O ATOM 168 CB ALA A 11 18.441 -3.061 -0.984 1.00 0.00 C ATOM 0 H ALA A 11 17.262 -1.859 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 11 16.436 -3.813 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.572 -3.218 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.838 -3.918 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.975 -2.160 -1.287 1.00 0.00 H new ATOM 174 N ILE A 12 15.291 -1.998 0.282 1.00 0.00 N ATOM 175 CA ILE A 12 14.461 -0.964 0.918 1.00 0.00 C ATOM 176 C ILE A 12 14.770 -0.862 2.413 1.00 0.00 C ATOM 177 O ILE A 12 14.654 -1.839 3.150 1.00 0.00 O ATOM 178 CB ILE A 12 12.961 -1.218 0.665 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.658 -1.377 -0.844 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.113 -0.067 1.256 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.318 -2.060 -1.086 1.00 0.00 C ATOM 0 H ILE A 12 15.003 -2.948 0.517 1.00 0.00 H new ATOM 0 HA ILE A 12 14.708 -0.005 0.462 1.00 0.00 H new ATOM 0 HB ILE A 12 12.696 -2.151 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.656 -0.396 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.452 -1.958 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.057 -0.260 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.286 -0.002 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.398 0.874 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.145 -2.152 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.328 -3.052 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.521 -1.466 -0.639 1.00 0.00 H new ATOM 193 N GLU A 13 15.132 0.330 2.868 1.00 0.00 N ATOM 194 CA GLU A 13 15.368 0.662 4.277 1.00 0.00 C ATOM 195 C GLU A 13 14.071 0.985 5.043 1.00 0.00 C ATOM 196 O GLU A 13 13.165 1.637 4.514 1.00 0.00 O ATOM 197 CB GLU A 13 16.325 1.860 4.383 1.00 0.00 C ATOM 198 CG GLU A 13 17.745 1.570 3.877 1.00 0.00 C ATOM 199 CD GLU A 13 18.718 2.733 4.171 1.00 0.00 C ATOM 200 OE1 GLU A 13 18.270 3.884 4.400 1.00 0.00 O ATOM 201 OE2 GLU A 13 19.950 2.499 4.172 1.00 0.00 O ATOM 0 H GLU A 13 15.276 1.126 2.247 1.00 0.00 H new ATOM 0 HA GLU A 13 15.809 -0.223 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.911 2.694 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.379 2.178 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.117 0.660 4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.716 1.386 2.803 1.00 0.00 H new ATOM 208 N TRP A 14 14.023 0.595 6.321 1.00 0.00 N ATOM 209 CA TRP A 14 12.995 0.973 7.302 1.00 0.00 C ATOM 210 C TRP A 14 13.570 0.882 8.736 1.00 0.00 C ATOM 211 O TRP A 14 14.383 -0.015 8.988 1.00 0.00 O ATOM 212 CB TRP A 14 11.764 0.071 7.134 1.00 0.00 C ATOM 213 CG TRP A 14 10.633 0.334 8.079 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.265 -0.464 9.105 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.735 1.486 8.132 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.202 0.103 9.782 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.847 1.319 9.238 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.624 2.685 7.395 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.888 2.283 9.584 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.669 3.662 7.737 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.802 3.464 8.826 1.00 0.00 C ATOM 0 H TRP A 14 14.731 -0.021 6.720 1.00 0.00 H new ATOM 0 HA TRP A 14 12.688 2.005 7.131 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.394 0.179 6.114 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.078 -0.966 7.251 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.732 -1.404 9.358 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.738 -0.325 10.584 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.282 2.856 6.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.225 2.120 10.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.602 4.571 7.158 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.071 4.218 9.080 1.00 0.00 H new ATOM 232 N PRO A 15 13.213 1.775 9.688 1.00 0.00 N ATOM 233 CA PRO A 15 13.832 1.803 11.017 1.00 0.00 C ATOM 234 C PRO A 15 13.596 0.525 11.838 1.00 0.00 C ATOM 235 O PRO A 15 12.517 -0.073 11.799 1.00 0.00 O ATOM 236 CB PRO A 15 13.271 3.043 11.725 1.00 0.00 C ATOM 237 CG PRO A 15 12.867 3.951 10.565 1.00 0.00 C ATOM 238 CD PRO A 15 12.349 2.939 9.548 1.00 0.00 C ATOM 0 HA PRO A 15 14.916 1.852 10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.419 2.795 12.358 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.017 3.514 12.365 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.100 4.669 10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.711 4.523 10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.308 2.682 9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.392 3.341 8.536 1.00 0.00 H new ATOM 246 N GLY A 16 14.609 0.114 12.608 1.00 0.00 N ATOM 247 CA GLY A 16 14.555 -1.070 13.480 1.00 0.00 C ATOM 248 C GLY A 16 14.564 -2.426 12.754 1.00 0.00 C ATOM 249 O GLY A 16 14.289 -3.450 13.385 1.00 0.00 O ATOM 0 H GLY A 16 15.505 0.601 12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.405 -1.037 14.162 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.654 -1.010 14.090 1.00 0.00 H new ATOM 253 N ALA A 17 14.867 -2.453 11.451 1.00 0.00 N ATOM 254 CA ALA A 17 14.869 -3.653 10.609 1.00 0.00 C ATOM 255 C ALA A 17 16.022 -3.660 9.586 1.00 0.00 C ATOM 256 O ALA A 17 16.535 -2.612 9.183 1.00 0.00 O ATOM 257 CB ALA A 17 13.505 -3.762 9.910 1.00 0.00 C ATOM 0 H ALA A 17 15.126 -1.611 10.937 1.00 0.00 H new ATOM 0 HA ALA A 17 15.034 -4.522 11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.490 -4.651 9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.717 -3.836 10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.340 -2.877 9.295 1.00 0.00 H new ATOM 263 N TYR A 18 16.414 -4.858 9.141 1.00 0.00 N ATOM 264 CA TYR A 18 17.339 -5.049 8.019 1.00 0.00 C ATOM 265 C TYR A 18 16.687 -4.645 6.676 1.00 0.00 C ATOM 266 O TYR A 18 15.459 -4.746 6.551 1.00 0.00 O ATOM 267 CB TYR A 18 17.798 -6.515 7.975 1.00 0.00 C ATOM 268 CG TYR A 18 18.488 -6.993 9.241 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.813 -7.842 10.142 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.807 -6.583 9.519 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.452 -8.276 11.320 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.449 -7.014 10.695 1.00 0.00 C ATOM 273 CZ TYR A 18 19.774 -7.862 11.601 1.00 0.00 C ATOM 274 OH TYR A 18 20.403 -8.276 12.736 1.00 0.00 O ATOM 0 H TYR A 18 16.094 -5.733 9.555 1.00 0.00 H new ATOM 0 HA TYR A 18 18.204 -4.403 8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.932 -7.149 7.786 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.478 -6.645 7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.803 -8.160 9.928 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.327 -5.936 8.828 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.932 -8.925 12.009 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.459 -6.696 10.905 1.00 0.00 H new ATOM 0 HH TYR A 18 21.306 -7.896 12.767 1.00 0.00 H new ATOM 284 N PRO A 19 17.461 -4.222 5.652 1.00 0.00 N ATOM 285 CA PRO A 19 16.909 -3.838 4.354 1.00 0.00 C ATOM 286 C PRO A 19 16.123 -4.970 3.672 1.00 0.00 C ATOM 287 O PRO A 19 16.626 -6.087 3.517 1.00 0.00 O ATOM 288 CB PRO A 19 18.096 -3.369 3.504 1.00 0.00 C ATOM 289 CG PRO A 19 19.113 -2.921 4.551 1.00 0.00 C ATOM 290 CD PRO A 19 18.884 -3.913 5.691 1.00 0.00 C ATOM 0 HA PRO A 19 16.174 -3.043 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.487 -4.172 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.817 -2.553 2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.133 -2.970 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.940 -1.893 4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.485 -4.812 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.166 -3.481 6.651 1.00 0.00 H new ATOM 298 N LYS A 20 14.891 -4.677 3.238 1.00 0.00 N ATOM 299 CA LYS A 20 14.029 -5.600 2.485 1.00 0.00 C ATOM 300 C LYS A 20 14.467 -5.654 1.022 1.00 0.00 C ATOM 301 O LYS A 20 14.304 -4.680 0.287 1.00 0.00 O ATOM 302 CB LYS A 20 12.556 -5.177 2.650 1.00 0.00 C ATOM 303 CG LYS A 20 11.586 -5.970 1.759 1.00 0.00 C ATOM 304 CD LYS A 20 10.122 -5.662 2.109 1.00 0.00 C ATOM 305 CE LYS A 20 9.126 -6.282 1.114 1.00 0.00 C ATOM 306 NZ LYS A 20 9.192 -7.769 1.071 1.00 0.00 N ATOM 0 H LYS A 20 14.454 -3.770 3.404 1.00 0.00 H new ATOM 0 HA LYS A 20 14.126 -6.611 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.265 -5.303 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.463 -4.116 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.770 -5.727 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.773 -7.038 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.907 -6.035 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.979 -4.582 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.115 -5.977 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.323 -5.887 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.499 -8.128 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.147 -8.066 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.976 -8.153 2.013 1.00 0.00 H new ATOM 320 N LEU A 21 15.012 -6.792 0.595 1.00 0.00 N ATOM 321 CA LEU A 21 15.272 -7.079 -0.817 1.00 0.00 C ATOM 322 C LEU A 21 13.959 -7.466 -1.514 1.00 0.00 C ATOM 323 O LEU A 21 13.250 -8.365 -1.052 1.00 0.00 O ATOM 324 CB LEU A 21 16.320 -8.201 -0.942 1.00 0.00 C ATOM 325 CG LEU A 21 17.742 -7.782 -0.522 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.629 -9.017 -0.357 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.393 -6.870 -1.565 1.00 0.00 C ATOM 0 H LEU A 21 15.288 -7.547 1.223 1.00 0.00 H new ATOM 0 HA LEU A 21 15.671 -6.189 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.006 -9.047 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.345 -8.547 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 21 17.650 -7.243 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.631 -8.708 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.208 -9.668 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.681 -9.557 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.395 -6.595 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.457 -7.395 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.791 -5.969 -1.687 1.00 0.00 H new ATOM 339 N MET A 22 13.639 -6.804 -2.629 1.00 0.00 N ATOM 340 CA MET A 22 12.503 -7.150 -3.493 1.00 0.00 C ATOM 341 C MET A 22 12.747 -6.723 -4.950 1.00 0.00 C ATOM 342 O MET A 22 13.806 -6.191 -5.283 1.00 0.00 O ATOM 343 CB MET A 22 11.193 -6.579 -2.910 1.00 0.00 C ATOM 344 CG MET A 22 10.949 -5.088 -3.154 1.00 0.00 C ATOM 345 SD MET A 22 9.357 -4.523 -2.491 1.00 0.00 S ATOM 346 CE MET A 22 8.178 -5.252 -3.659 1.00 0.00 C ATOM 0 H MET A 22 14.169 -5.999 -2.964 1.00 0.00 H new ATOM 0 HA MET A 22 12.401 -8.235 -3.516 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.357 -7.138 -3.330 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.188 -6.757 -1.835 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.754 -4.512 -2.696 1.00 0.00 H new ATOM 0 HG3 MET A 22 10.984 -4.889 -4.225 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.176 -4.883 -3.442 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.455 -4.975 -4.676 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.193 -6.338 -3.562 1.00 0.00 H new ATOM 356 N GLU A 23 11.772 -6.956 -5.829 1.00 0.00 N ATOM 357 CA GLU A 23 11.826 -6.585 -7.247 1.00 0.00 C ATOM 358 C GLU A 23 10.659 -5.670 -7.635 1.00 0.00 C ATOM 359 O GLU A 23 9.492 -5.974 -7.369 1.00 0.00 O ATOM 360 CB GLU A 23 11.858 -7.848 -8.120 1.00 0.00 C ATOM 361 CG GLU A 23 13.249 -8.499 -8.100 1.00 0.00 C ATOM 362 CD GLU A 23 13.320 -9.876 -8.789 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.379 -10.535 -8.653 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.353 -10.312 -9.459 1.00 0.00 O ATOM 0 H GLU A 23 10.901 -7.419 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 23 12.743 -6.021 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.115 -8.560 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.587 -7.593 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.958 -7.827 -8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.570 -8.608 -7.064 1.00 0.00 H new ATOM 371 N ILE A 24 10.984 -4.553 -8.289 1.00 0.00 N ATOM 372 CA ILE A 24 10.032 -3.615 -8.887 1.00 0.00 C ATOM 373 C ILE A 24 9.883 -3.949 -10.372 1.00 0.00 C ATOM 374 O ILE A 24 10.817 -3.797 -11.161 1.00 0.00 O ATOM 375 CB ILE A 24 10.481 -2.154 -8.630 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.277 -1.847 -7.127 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.729 -1.145 -9.526 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.670 -0.432 -6.688 1.00 0.00 C ATOM 0 H ILE A 24 11.954 -4.266 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 24 9.050 -3.712 -8.424 1.00 0.00 H new ATOM 0 HB ILE A 24 11.534 -2.048 -8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.228 -2.008 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.856 -2.564 -6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.078 -0.135 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.919 -1.377 -10.574 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.659 -1.209 -9.328 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.489 -0.319 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.727 -0.267 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.074 0.298 -7.236 1.00 0.00 H new ATOM 390 N ASP A 25 8.697 -4.417 -10.758 1.00 0.00 N ATOM 391 CA ASP A 25 8.299 -4.540 -12.159 1.00 0.00 C ATOM 392 C ASP A 25 7.764 -3.182 -12.620 1.00 0.00 C ATOM 393 O ASP A 25 6.785 -2.679 -12.065 1.00 0.00 O ATOM 394 CB ASP A 25 7.248 -5.651 -12.307 1.00 0.00 C ATOM 395 CG ASP A 25 6.752 -5.878 -13.748 1.00 0.00 C ATOM 396 OD1 ASP A 25 7.143 -5.118 -14.664 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.952 -6.820 -13.952 1.00 0.00 O ATOM 0 H ASP A 25 7.979 -4.724 -10.101 1.00 0.00 H new ATOM 0 HA ASP A 25 9.148 -4.817 -12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.669 -6.583 -11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.392 -5.410 -11.676 1.00 0.00 H new ATOM 402 N GLN A 26 8.378 -2.582 -13.642 1.00 0.00 N ATOM 403 CA GLN A 26 7.961 -1.276 -14.163 1.00 0.00 C ATOM 404 C GLN A 26 6.549 -1.279 -14.795 1.00 0.00 C ATOM 405 O GLN A 26 5.992 -0.207 -15.039 1.00 0.00 O ATOM 406 CB GLN A 26 9.040 -0.708 -15.103 1.00 0.00 C ATOM 407 CG GLN A 26 10.411 -0.470 -14.429 1.00 0.00 C ATOM 408 CD GLN A 26 10.477 0.710 -13.452 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.496 1.161 -12.872 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.651 1.257 -13.222 1.00 0.00 N ATOM 0 H GLN A 26 9.177 -2.986 -14.132 1.00 0.00 H new ATOM 0 HA GLN A 26 7.868 -0.604 -13.310 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.174 -1.394 -15.939 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.684 0.235 -15.518 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.694 -1.377 -13.894 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.156 -0.314 -15.209 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.482 0.899 -13.693 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.731 2.039 -12.573 1.00 0.00 H new ATOM 419 N LYS A 27 5.939 -2.455 -15.022 1.00 0.00 N ATOM 420 CA LYS A 27 4.524 -2.612 -15.417 1.00 0.00 C ATOM 421 C LYS A 27 3.537 -2.681 -14.233 1.00 0.00 C ATOM 422 O LYS A 27 2.354 -2.397 -14.432 1.00 0.00 O ATOM 423 CB LYS A 27 4.369 -3.865 -16.299 1.00 0.00 C ATOM 424 CG LYS A 27 5.256 -3.939 -17.558 1.00 0.00 C ATOM 425 CD LYS A 27 4.999 -2.850 -18.615 1.00 0.00 C ATOM 426 CE LYS A 27 5.784 -1.557 -18.349 1.00 0.00 C ATOM 427 NZ LYS A 27 5.564 -0.555 -19.425 1.00 0.00 N ATOM 0 H LYS A 27 6.427 -3.347 -14.934 1.00 0.00 H new ATOM 0 HA LYS A 27 4.263 -1.710 -15.971 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.576 -4.741 -15.685 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.327 -3.934 -16.612 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.300 -3.882 -17.249 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.114 -4.914 -18.024 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.268 -3.236 -19.598 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.933 -2.622 -18.642 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.480 -1.136 -17.391 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.847 -1.785 -18.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.108 0.306 -19.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.877 -0.949 -20.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.552 -0.320 -19.479 1.00 0.00 H new ATOM 441 N LYS A 28 3.978 -3.039 -13.015 1.00 0.00 N ATOM 442 CA LYS A 28 3.122 -3.083 -11.805 1.00 0.00 C ATOM 443 C LYS A 28 2.884 -1.676 -11.231 1.00 0.00 C ATOM 444 O LYS A 28 3.828 -0.883 -11.208 1.00 0.00 O ATOM 445 CB LYS A 28 3.732 -3.988 -10.719 1.00 0.00 C ATOM 446 CG LYS A 28 3.467 -5.477 -10.982 1.00 0.00 C ATOM 447 CD LYS A 28 4.141 -6.396 -9.948 1.00 0.00 C ATOM 448 CE LYS A 28 3.627 -6.192 -8.516 1.00 0.00 C ATOM 449 NZ LYS A 28 4.271 -7.149 -7.580 1.00 0.00 N ATOM 0 H LYS A 28 4.945 -3.309 -12.835 1.00 0.00 H new ATOM 0 HA LYS A 28 2.163 -3.501 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.807 -3.816 -10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.320 -3.714 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.392 -5.657 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.826 -5.734 -11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.980 -7.434 -10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.217 -6.222 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.830 -5.170 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.545 -6.325 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.933 -6.969 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.028 -8.122 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.303 -7.027 -7.614 1.00 0.00 H new ATOM 463 N PRO A 29 1.680 -1.353 -10.723 1.00 0.00 N ATOM 464 CA PRO A 29 1.389 -0.058 -10.103 1.00 0.00 C ATOM 465 C PRO A 29 2.122 0.104 -8.770 1.00 0.00 C ATOM 466 O PRO A 29 2.241 -0.845 -7.989 1.00 0.00 O ATOM 467 CB PRO A 29 -0.128 -0.027 -9.900 1.00 0.00 C ATOM 468 CG PRO A 29 -0.519 -1.499 -9.795 1.00 0.00 C ATOM 469 CD PRO A 29 0.521 -2.232 -10.640 1.00 0.00 C ATOM 0 HA PRO A 29 1.729 0.764 -10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.399 0.523 -8.998 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.632 0.461 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.502 -1.841 -8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.528 -1.670 -10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.789 -3.185 -10.185 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.129 -2.452 -11.633 1.00 0.00 H new ATOM 477 N LEU A 30 2.563 1.328 -8.474 1.00 0.00 N ATOM 478 CA LEU A 30 3.275 1.619 -7.229 1.00 0.00 C ATOM 479 C LEU A 30 2.416 1.399 -5.980 1.00 0.00 C ATOM 480 O LEU A 30 2.967 0.990 -4.967 1.00 0.00 O ATOM 481 CB LEU A 30 3.836 3.046 -7.272 1.00 0.00 C ATOM 482 CG LEU A 30 5.066 3.157 -8.188 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.304 4.623 -8.507 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.334 2.592 -7.540 1.00 0.00 C ATOM 0 H LEU A 30 2.439 2.137 -9.083 1.00 0.00 H new ATOM 0 HA LEU A 30 4.098 0.909 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.062 3.729 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.106 3.359 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 30 4.861 2.575 -9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.174 4.717 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.429 5.032 -9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.480 5.173 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.172 2.695 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.549 3.140 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.184 1.538 -7.306 1.00 0.00 H new ATOM 496 N SER A 31 1.091 1.572 -6.031 1.00 0.00 N ATOM 497 CA SER A 31 0.216 1.246 -4.890 1.00 0.00 C ATOM 498 C SER A 31 0.290 -0.244 -4.518 1.00 0.00 C ATOM 499 O SER A 31 0.476 -0.575 -3.344 1.00 0.00 O ATOM 500 CB SER A 31 -1.229 1.665 -5.181 1.00 0.00 C ATOM 501 OG SER A 31 -2.074 1.379 -4.076 1.00 0.00 O ATOM 0 H SER A 31 0.598 1.935 -6.847 1.00 0.00 H new ATOM 0 HA SER A 31 0.575 1.811 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.264 2.731 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.592 1.142 -6.066 1.00 0.00 H new ATOM 0 HG SER A 31 -2.990 1.656 -4.285 1.00 0.00 H new ATOM 507 N ALA A 32 0.248 -1.152 -5.506 1.00 0.00 N ATOM 508 CA ALA A 32 0.397 -2.591 -5.254 1.00 0.00 C ATOM 509 C ALA A 32 1.797 -2.946 -4.717 1.00 0.00 C ATOM 510 O ALA A 32 1.919 -3.731 -3.775 1.00 0.00 O ATOM 511 CB ALA A 32 0.084 -3.368 -6.538 1.00 0.00 C ATOM 0 H ALA A 32 0.112 -0.913 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.312 -2.876 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.194 -4.436 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.939 -3.157 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.774 -3.063 -7.325 1.00 0.00 H new ATOM 517 N ILE A 33 2.849 -2.329 -5.269 1.00 0.00 N ATOM 518 CA ILE A 33 4.231 -2.505 -4.796 1.00 0.00 C ATOM 519 C ILE A 33 4.375 -1.996 -3.354 1.00 0.00 C ATOM 520 O ILE A 33 4.851 -2.731 -2.499 1.00 0.00 O ATOM 521 CB ILE A 33 5.224 -1.808 -5.755 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.193 -2.476 -7.151 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.656 -1.830 -5.184 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.835 -1.630 -8.257 1.00 0.00 C ATOM 0 H ILE A 33 2.767 -1.690 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 33 4.471 -3.568 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 33 4.915 -0.768 -5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.707 -3.435 -7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.158 -2.684 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.333 -1.333 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.674 -1.310 -4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.975 -2.862 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.775 -2.164 -9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.307 -0.680 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.880 -1.443 -8.012 1.00 0.00 H new ATOM 536 N ILE A 34 3.927 -0.776 -3.045 1.00 0.00 N ATOM 537 CA ILE A 34 4.023 -0.171 -1.705 1.00 0.00 C ATOM 538 C ILE A 34 3.234 -0.992 -0.674 1.00 0.00 C ATOM 539 O ILE A 34 3.713 -1.169 0.446 1.00 0.00 O ATOM 540 CB ILE A 34 3.591 1.317 -1.755 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.627 2.152 -2.549 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.434 1.924 -0.347 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.083 3.496 -3.050 1.00 0.00 C ATOM 0 H ILE A 34 3.478 -0.166 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 34 5.062 -0.189 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 34 2.621 1.348 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.495 2.335 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.973 1.569 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.130 2.967 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.676 1.370 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.385 1.865 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.865 4.024 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.233 3.321 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.764 4.099 -2.200 1.00 0.00 H new ATOM 555 N LYS A 35 2.088 -1.580 -1.049 1.00 0.00 N ATOM 556 CA LYS A 35 1.367 -2.550 -0.207 1.00 0.00 C ATOM 557 C LYS A 35 2.221 -3.782 0.113 1.00 0.00 C ATOM 558 O LYS A 35 2.276 -4.202 1.267 1.00 0.00 O ATOM 559 CB LYS A 35 0.042 -2.938 -0.886 1.00 0.00 C ATOM 560 CG LYS A 35 -0.899 -3.669 0.082 1.00 0.00 C ATOM 561 CD LYS A 35 -2.243 -3.982 -0.585 1.00 0.00 C ATOM 562 CE LYS A 35 -3.176 -4.678 0.414 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.487 -5.011 -0.201 1.00 0.00 N ATOM 0 H LYS A 35 1.634 -1.397 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 35 1.146 -2.077 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.449 -2.041 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.247 -3.576 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.432 -4.595 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.063 -3.055 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.703 -3.061 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.087 -4.620 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.703 -5.590 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.332 -4.032 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.092 -5.480 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.949 -4.138 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.339 -5.648 -1.010 1.00 0.00 H new ATOM 577 N GLU A 36 2.936 -4.325 -0.872 1.00 0.00 N ATOM 578 CA GLU A 36 3.869 -5.441 -0.708 1.00 0.00 C ATOM 579 C GLU A 36 5.127 -5.065 0.103 1.00 0.00 C ATOM 580 O GLU A 36 5.656 -5.910 0.830 1.00 0.00 O ATOM 581 CB GLU A 36 4.221 -5.969 -2.109 1.00 0.00 C ATOM 582 CG GLU A 36 3.085 -6.829 -2.688 1.00 0.00 C ATOM 583 CD GLU A 36 3.340 -7.275 -4.141 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.799 -8.328 -4.555 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.062 -6.586 -4.902 1.00 0.00 O ATOM 0 H GLU A 36 2.881 -3.991 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 36 3.389 -6.224 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.420 -5.130 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.136 -6.559 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.951 -7.711 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.153 -6.265 -2.646 1.00 0.00 H new ATOM 592 N VAL A 37 5.578 -3.802 0.060 1.00 0.00 N ATOM 593 CA VAL A 37 6.622 -3.286 0.968 1.00 0.00 C ATOM 594 C VAL A 37 6.103 -3.262 2.410 1.00 0.00 C ATOM 595 O VAL A 37 6.726 -3.839 3.302 1.00 0.00 O ATOM 596 CB VAL A 37 7.123 -1.874 0.592 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.276 -1.464 1.514 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.662 -1.769 -0.831 1.00 0.00 C ATOM 0 H VAL A 37 5.232 -3.108 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 37 7.468 -3.967 0.871 1.00 0.00 H new ATOM 0 HB VAL A 37 6.250 -1.229 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.623 -0.467 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.931 -1.458 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.096 -2.175 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.994 -0.748 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.502 -2.453 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.875 -2.031 -1.538 1.00 0.00 H new ATOM 608 N CYS A 38 4.952 -2.619 2.633 1.00 0.00 N ATOM 609 CA CYS A 38 4.357 -2.433 3.959 1.00 0.00 C ATOM 610 C CYS A 38 4.019 -3.773 4.631 1.00 0.00 C ATOM 611 O CYS A 38 4.360 -3.976 5.796 1.00 0.00 O ATOM 612 CB CYS A 38 3.115 -1.532 3.842 1.00 0.00 C ATOM 613 SG CYS A 38 3.588 0.144 3.323 1.00 0.00 S ATOM 0 H CYS A 38 4.398 -2.206 1.883 1.00 0.00 H new ATOM 0 HA CYS A 38 5.090 -1.945 4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.416 -1.958 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.598 -1.489 4.801 1.00 0.00 H new ATOM 0 HG CYS A 38 3.767 0.165 2.036 1.00 0.00 H new ATOM 619 N ASP A 39 3.435 -4.723 3.892 1.00 0.00 N ATOM 620 CA ASP A 39 3.147 -6.081 4.374 1.00 0.00 C ATOM 621 C ASP A 39 4.417 -6.847 4.802 1.00 0.00 C ATOM 622 O ASP A 39 4.376 -7.642 5.742 1.00 0.00 O ATOM 623 CB ASP A 39 2.406 -6.846 3.266 1.00 0.00 C ATOM 624 CG ASP A 39 1.911 -8.232 3.715 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.070 -9.206 2.941 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.321 -8.348 4.816 1.00 0.00 O ATOM 0 H ASP A 39 3.144 -4.569 2.927 1.00 0.00 H new ATOM 0 HA ASP A 39 2.526 -6.000 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.554 -6.254 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.069 -6.964 2.409 1.00 0.00 H new ATOM 631 N GLY A 40 5.569 -6.549 4.184 1.00 0.00 N ATOM 632 CA GLY A 40 6.881 -7.086 4.570 1.00 0.00 C ATOM 633 C GLY A 40 7.324 -6.719 5.996 1.00 0.00 C ATOM 634 O GLY A 40 8.093 -7.465 6.606 1.00 0.00 O ATOM 0 H GLY A 40 5.615 -5.915 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.857 -8.172 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.630 -6.724 3.866 1.00 0.00 H new ATOM 638 N TRP A 41 6.790 -5.625 6.553 1.00 0.00 N ATOM 639 CA TRP A 41 6.951 -5.202 7.951 1.00 0.00 C ATOM 640 C TRP A 41 5.619 -5.158 8.732 1.00 0.00 C ATOM 641 O TRP A 41 5.544 -4.551 9.800 1.00 0.00 O ATOM 642 CB TRP A 41 7.721 -3.873 7.978 1.00 0.00 C ATOM 643 CG TRP A 41 9.137 -3.948 7.484 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.108 -4.731 8.011 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.763 -3.235 6.372 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.280 -4.565 7.299 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.129 -3.645 6.286 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.322 -2.280 5.432 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.010 -3.136 5.323 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.202 -1.755 4.466 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.537 -2.183 4.408 1.00 0.00 C ATOM 0 H TRP A 41 6.208 -4.981 6.018 1.00 0.00 H new ATOM 0 HA TRP A 41 7.535 -5.954 8.482 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.180 -3.145 7.374 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.729 -3.496 9.001 1.00 0.00 H new ATOM 0 HD1 TRP A 41 9.985 -5.387 8.860 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.148 -5.062 7.499 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.295 -1.947 5.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.036 -3.471 5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.846 -1.016 3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.201 -1.779 3.658 1.00 0.00 H new ATOM 662 N SER A 42 4.566 -5.809 8.216 1.00 0.00 N ATOM 663 CA SER A 42 3.188 -5.856 8.756 1.00 0.00 C ATOM 664 C SER A 42 2.507 -4.484 8.965 1.00 0.00 C ATOM 665 O SER A 42 1.538 -4.362 9.722 1.00 0.00 O ATOM 666 CB SER A 42 3.100 -6.787 9.980 1.00 0.00 C ATOM 667 OG SER A 42 3.644 -6.214 11.161 1.00 0.00 O ATOM 0 H SER A 42 4.653 -6.352 7.357 1.00 0.00 H new ATOM 0 HA SER A 42 2.582 -6.297 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.056 -7.045 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.625 -7.716 9.760 1.00 0.00 H new ATOM 0 HG SER A 42 4.341 -5.568 10.920 1.00 0.00 H new ATOM 673 N LEU A 43 2.988 -3.442 8.277 1.00 0.00 N ATOM 674 CA LEU A 43 2.477 -2.069 8.345 1.00 0.00 C ATOM 675 C LEU A 43 1.071 -1.961 7.727 1.00 0.00 C ATOM 676 O LEU A 43 0.860 -2.309 6.562 1.00 0.00 O ATOM 677 CB LEU A 43 3.474 -1.125 7.640 1.00 0.00 C ATOM 678 CG LEU A 43 4.800 -0.933 8.401 1.00 0.00 C ATOM 679 CD1 LEU A 43 5.827 -0.272 7.486 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.635 -0.059 9.646 1.00 0.00 C ATOM 0 H LEU A 43 3.774 -3.536 7.633 1.00 0.00 H new ATOM 0 HA LEU A 43 2.383 -1.775 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.691 -1.518 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.002 -0.152 7.502 1.00 0.00 H new ATOM 0 HG LEU A 43 5.132 -1.922 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.763 -0.138 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.999 -0.905 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.453 0.699 7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.597 0.046 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.269 0.925 9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.921 -0.525 10.325 1.00 0.00 H new ATOM 692 N ALA A 44 0.114 -1.461 8.512 1.00 0.00 N ATOM 693 CA ALA A 44 -1.256 -1.189 8.076 1.00 0.00 C ATOM 694 C ALA A 44 -1.356 0.089 7.217 1.00 0.00 C ATOM 695 O ALA A 44 -0.511 0.983 7.307 1.00 0.00 O ATOM 696 CB ALA A 44 -2.152 -1.101 9.320 1.00 0.00 C ATOM 0 H ALA A 44 0.275 -1.229 9.492 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.591 -2.004 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.179 -0.898 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.114 -2.045 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.800 -0.297 9.966 1.00 0.00 H new ATOM 702 N ASN A 45 -2.431 0.183 6.425 1.00 0.00 N ATOM 703 CA ASN A 45 -2.826 1.350 5.621 1.00 0.00 C ATOM 704 C ASN A 45 -1.676 1.898 4.747 1.00 0.00 C ATOM 705 O ASN A 45 -1.169 3.003 4.958 1.00 0.00 O ATOM 706 CB ASN A 45 -3.498 2.412 6.521 1.00 0.00 C ATOM 707 CG ASN A 45 -4.733 1.924 7.269 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.261 0.840 7.055 1.00 0.00 O ATOM 709 ND2 ASN A 45 -5.250 2.716 8.179 1.00 0.00 N ATOM 0 H ASN A 45 -3.085 -0.593 6.321 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.572 1.029 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.767 2.768 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.777 3.267 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.080 2.425 8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.822 3.622 8.369 1.00 0.00 H new ATOM 716 N HIS A 46 -1.271 1.120 3.734 1.00 0.00 N ATOM 717 CA HIS A 46 -0.163 1.443 2.828 1.00 0.00 C ATOM 718 C HIS A 46 -0.403 2.727 2.011 1.00 0.00 C ATOM 719 O HIS A 46 0.539 3.299 1.469 1.00 0.00 O ATOM 720 CB HIS A 46 0.055 0.243 1.900 1.00 0.00 C ATOM 721 CG HIS A 46 -0.970 0.155 0.797 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.290 -0.290 0.913 1.00 0.00 N ATOM 723 CD2 HIS A 46 -0.778 0.636 -0.460 1.00 0.00 C ATOM 724 CE1 HIS A 46 -2.850 -0.085 -0.296 1.00 0.00 C ATOM 725 NE2 HIS A 46 -1.959 0.465 -1.141 1.00 0.00 N ATOM 0 H HIS A 46 -1.716 0.228 3.518 1.00 0.00 H new ATOM 0 HA HIS A 46 0.726 1.639 3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.050 0.308 1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.026 -0.674 2.489 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.131 1.070 -0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.871 -0.328 -0.551 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.130 0.712 -2.116 1.00 0.00 H new ATOM 733 N GLU A 47 -1.650 3.209 1.954 1.00 0.00 N ATOM 734 CA GLU A 47 -2.061 4.450 1.283 1.00 0.00 C ATOM 735 C GLU A 47 -1.296 5.689 1.779 1.00 0.00 C ATOM 736 O GLU A 47 -1.143 6.656 1.032 1.00 0.00 O ATOM 737 CB GLU A 47 -3.566 4.702 1.508 1.00 0.00 C ATOM 738 CG GLU A 47 -4.458 3.473 1.281 1.00 0.00 C ATOM 739 CD GLU A 47 -5.946 3.842 1.102 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.627 3.212 0.254 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.458 4.739 1.815 1.00 0.00 O ATOM 0 H GLU A 47 -2.434 2.725 2.392 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.834 4.308 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.713 5.059 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.892 5.500 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.112 2.936 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.356 2.794 2.127 1.00 0.00 H new ATOM 748 N TYR A 48 -0.808 5.677 3.026 1.00 0.00 N ATOM 749 CA TYR A 48 -0.036 6.788 3.593 1.00 0.00 C ATOM 750 C TYR A 48 1.419 6.820 3.107 1.00 0.00 C ATOM 751 O TYR A 48 2.103 7.822 3.314 1.00 0.00 O ATOM 752 CB TYR A 48 -0.012 6.718 5.130 1.00 0.00 C ATOM 753 CG TYR A 48 -1.310 6.487 5.888 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.217 6.064 7.228 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.580 6.673 5.303 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.379 5.791 7.971 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.747 6.373 6.031 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.649 5.937 7.371 1.00 0.00 C ATOM 759 OH TYR A 48 -4.770 5.652 8.089 1.00 0.00 O ATOM 0 H TYR A 48 -0.938 4.896 3.670 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.541 7.691 3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.677 5.921 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.417 7.652 5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.247 5.949 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.657 7.047 4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.300 5.470 8.999 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.716 6.476 5.566 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.562 5.804 7.533 1.00 0.00 H new ATOM 769 N PHE A 49 1.918 5.726 2.526 1.00 0.00 N ATOM 770 CA PHE A 49 3.332 5.514 2.227 1.00 0.00 C ATOM 771 C PHE A 49 3.735 5.821 0.781 1.00 0.00 C ATOM 772 O PHE A 49 2.935 5.786 -0.155 1.00 0.00 O ATOM 773 CB PHE A 49 3.737 4.088 2.633 1.00 0.00 C ATOM 774 CG PHE A 49 3.811 3.862 4.132 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.654 3.549 4.874 1.00 0.00 C ATOM 776 CD2 PHE A 49 5.053 3.952 4.789 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.735 3.341 6.262 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.134 3.743 6.177 1.00 0.00 C ATOM 779 CZ PHE A 49 3.976 3.440 6.915 1.00 0.00 C ATOM 0 H PHE A 49 1.330 4.942 2.243 1.00 0.00 H new ATOM 0 HA PHE A 49 3.884 6.242 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.022 3.385 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.709 3.860 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.700 3.469 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.945 4.182 4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.845 3.105 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.088 3.815 6.678 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.040 3.284 7.982 1.00 0.00 H new ATOM 789 N ALA A 50 5.032 6.083 0.629 1.00 0.00 N ATOM 790 CA ALA A 50 5.764 6.209 -0.619 1.00 0.00 C ATOM 791 C ALA A 50 7.185 5.646 -0.441 1.00 0.00 C ATOM 792 O ALA A 50 7.761 5.684 0.649 1.00 0.00 O ATOM 793 CB ALA A 50 5.782 7.687 -1.039 1.00 0.00 C ATOM 0 H ALA A 50 5.638 6.222 1.437 1.00 0.00 H new ATOM 0 HA ALA A 50 5.279 5.636 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.330 7.792 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.759 8.039 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.270 8.279 -0.265 1.00 0.00 H new ATOM 799 N LEU A 51 7.753 5.104 -1.516 1.00 0.00 N ATOM 800 CA LEU A 51 9.180 4.786 -1.567 1.00 0.00 C ATOM 801 C LEU A 51 9.966 6.082 -1.824 1.00 0.00 C ATOM 802 O LEU A 51 9.428 7.049 -2.364 1.00 0.00 O ATOM 803 CB LEU A 51 9.422 3.715 -2.645 1.00 0.00 C ATOM 804 CG LEU A 51 9.058 2.293 -2.179 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.992 1.357 -3.386 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.095 1.740 -1.197 1.00 0.00 C ATOM 0 H LEU A 51 7.244 4.874 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 51 9.529 4.372 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.836 3.961 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.471 3.736 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 51 8.091 2.348 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.734 0.352 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.233 1.714 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.961 1.337 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.805 0.735 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.071 1.704 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.147 2.386 -0.321 1.00 0.00 H new ATOM 818 N GLN A 52 11.243 6.110 -1.454 1.00 0.00 N ATOM 819 CA GLN A 52 12.137 7.260 -1.620 1.00 0.00 C ATOM 820 C GLN A 52 13.564 6.782 -1.911 1.00 0.00 C ATOM 821 O GLN A 52 13.974 5.729 -1.424 1.00 0.00 O ATOM 822 CB GLN A 52 12.045 8.130 -0.351 1.00 0.00 C ATOM 823 CG GLN A 52 12.765 9.484 -0.442 1.00 0.00 C ATOM 824 CD GLN A 52 12.640 10.287 0.852 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.935 9.818 1.944 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.215 11.532 0.786 1.00 0.00 N ATOM 0 H GLN A 52 11.702 5.311 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 52 11.838 7.868 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.994 8.308 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.460 7.570 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.819 9.320 -0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.349 10.061 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.965 11.938 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.136 12.090 1.636 1.00 0.00 H new ATOM 835 N HIS A 53 14.335 7.537 -2.695 1.00 0.00 N ATOM 836 CA HIS A 53 15.763 7.251 -2.927 1.00 0.00 C ATOM 837 C HIS A 53 16.571 7.405 -1.629 1.00 0.00 C ATOM 838 O HIS A 53 16.507 8.447 -0.975 1.00 0.00 O ATOM 839 CB HIS A 53 16.311 8.149 -4.046 1.00 0.00 C ATOM 840 CG HIS A 53 16.020 7.621 -5.431 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.760 6.634 -6.089 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.986 8.002 -6.235 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.161 6.454 -7.280 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.096 7.265 -7.395 1.00 0.00 N ATOM 0 H HIS A 53 13.995 8.362 -3.188 1.00 0.00 H new ATOM 0 HA HIS A 53 15.864 6.215 -3.249 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.881 9.145 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.389 8.254 -3.923 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.229 8.738 -6.007 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.490 5.757 -8.036 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.475 7.325 -8.202 1.00 0.00 H new ATOM 930 N TYR A 60 10.945 11.219 -3.680 1.00 0.00 N ATOM 931 CA TYR A 60 9.918 10.185 -3.556 1.00 0.00 C ATOM 932 C TYR A 60 9.685 9.510 -4.916 1.00 0.00 C ATOM 933 O TYR A 60 9.762 10.151 -5.967 1.00 0.00 O ATOM 934 CB TYR A 60 8.602 10.781 -3.035 1.00 0.00 C ATOM 935 CG TYR A 60 8.677 11.384 -1.644 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.546 10.557 -0.511 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.841 12.774 -1.484 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.569 11.120 0.780 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.879 13.337 -0.195 1.00 0.00 C ATOM 940 CZ TYR A 60 8.746 12.510 0.942 1.00 0.00 C ATOM 941 OH TYR A 60 8.763 13.064 2.186 1.00 0.00 O ATOM 0 HA TYR A 60 10.266 9.441 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.269 11.551 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.842 10.000 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.428 9.490 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.938 13.409 -2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.451 10.487 1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.010 14.402 -0.075 1.00 0.00 H new ATOM 0 HH TYR A 60 8.896 14.032 2.111 1.00 0.00 H new ATOM 951 N ILE A 61 9.374 8.217 -4.905 1.00 0.00 N ATOM 952 CA ILE A 61 9.028 7.447 -6.098 1.00 0.00 C ATOM 953 C ILE A 61 7.561 7.693 -6.477 1.00 0.00 C ATOM 954 O ILE A 61 6.668 7.714 -5.629 1.00 0.00 O ATOM 955 CB ILE A 61 9.364 5.955 -5.895 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.850 5.733 -5.517 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.004 5.121 -7.134 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.882 6.384 -6.453 1.00 0.00 C ATOM 0 H ILE A 61 9.355 7.663 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 61 9.631 7.784 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 61 8.753 5.616 -5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.010 6.115 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.041 4.660 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.255 4.076 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.936 5.209 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.565 5.486 -7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.888 6.165 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.761 5.986 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.730 7.463 -6.468 1.00 0.00 H new ATOM 970 N THR A 62 7.332 7.877 -7.775 1.00 0.00 N ATOM 971 CA THR A 62 6.050 8.206 -8.414 1.00 0.00 C ATOM 972 C THR A 62 5.985 7.498 -9.766 1.00 0.00 C ATOM 973 O THR A 62 7.003 7.000 -10.253 1.00 0.00 O ATOM 974 CB THR A 62 5.882 9.726 -8.628 1.00 0.00 C ATOM 975 OG1 THR A 62 6.720 10.169 -9.677 1.00 0.00 O ATOM 976 CG2 THR A 62 6.202 10.578 -7.400 1.00 0.00 C ATOM 0 H THR A 62 8.085 7.796 -8.459 1.00 0.00 H new ATOM 0 HA THR A 62 5.246 7.875 -7.757 1.00 0.00 H new ATOM 0 HB THR A 62 4.825 9.858 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.603 11.134 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.057 11.631 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.540 10.298 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.237 10.413 -7.102 1.00 0.00 H new ATOM 984 N GLU A 63 4.825 7.483 -10.425 1.00 0.00 N ATOM 985 CA GLU A 63 4.685 6.878 -11.761 1.00 0.00 C ATOM 986 C GLU A 63 5.553 7.560 -12.847 1.00 0.00 C ATOM 987 O GLU A 63 5.746 6.995 -13.926 1.00 0.00 O ATOM 988 CB GLU A 63 3.197 6.796 -12.152 1.00 0.00 C ATOM 989 CG GLU A 63 2.362 5.863 -11.245 1.00 0.00 C ATOM 990 CD GLU A 63 2.766 4.372 -11.294 1.00 0.00 C ATOM 991 OE1 GLU A 63 3.529 3.961 -12.201 1.00 0.00 O ATOM 992 OE2 GLU A 63 2.319 3.592 -10.418 1.00 0.00 O ATOM 0 H GLU A 63 3.962 7.884 -10.057 1.00 0.00 H new ATOM 0 HA GLU A 63 5.079 5.864 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.767 7.797 -12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.121 6.449 -13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.444 6.213 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.313 5.949 -11.528 1.00 0.00 H new ATOM 999 N LYS A 64 6.134 8.737 -12.551 1.00 0.00 N ATOM 1000 CA LYS A 64 7.171 9.404 -13.360 1.00 0.00 C ATOM 1001 C LYS A 64 8.591 9.119 -12.847 1.00 0.00 C ATOM 1002 O LYS A 64 9.473 8.791 -13.643 1.00 0.00 O ATOM 1003 CB LYS A 64 6.906 10.923 -13.400 1.00 0.00 C ATOM 1004 CG LYS A 64 5.531 11.330 -13.963 1.00 0.00 C ATOM 1005 CD LYS A 64 5.295 10.859 -15.406 1.00 0.00 C ATOM 1006 CE LYS A 64 3.963 11.412 -15.926 1.00 0.00 C ATOM 1007 NZ LYS A 64 3.702 10.988 -17.328 1.00 0.00 N ATOM 0 H LYS A 64 5.887 9.267 -11.715 1.00 0.00 H new ATOM 0 HA LYS A 64 7.113 8.995 -14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.000 11.320 -12.389 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.682 11.396 -14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.750 10.920 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.438 12.415 -13.924 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.112 11.194 -16.045 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.286 9.770 -15.445 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.151 11.069 -15.285 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.974 12.501 -15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.793 11.381 -17.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.464 11.337 -17.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.666 9.950 -17.376 1.00 0.00 H new ATOM 1021 N ASN A 65 8.820 9.197 -11.533 1.00 0.00 N ATOM 1022 CA ASN A 65 10.152 9.098 -10.911 1.00 0.00 C ATOM 1023 C ASN A 65 10.694 7.661 -10.848 1.00 0.00 C ATOM 1024 O ASN A 65 11.907 7.465 -10.781 1.00 0.00 O ATOM 1025 CB ASN A 65 10.119 9.720 -9.502 1.00 0.00 C ATOM 1026 CG ASN A 65 9.971 11.233 -9.472 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.992 11.931 -10.478 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.849 11.792 -8.291 1.00 0.00 N ATOM 0 H ASN A 65 8.071 9.334 -10.854 1.00 0.00 H new ATOM 0 HA ASN A 65 10.838 9.654 -11.550 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.293 9.278 -8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.037 9.449 -8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.772 12.806 -8.212 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.831 11.212 -7.452 1.00 0.00 H new ATOM 1035 N ARG A 66 9.824 6.645 -10.917 1.00 0.00 N ATOM 1036 CA ARG A 66 10.205 5.218 -10.952 1.00 0.00 C ATOM 1037 C ARG A 66 11.145 4.842 -12.104 1.00 0.00 C ATOM 1038 O ARG A 66 11.878 3.863 -11.994 1.00 0.00 O ATOM 1039 CB ARG A 66 8.932 4.358 -10.971 1.00 0.00 C ATOM 1040 CG ARG A 66 8.064 4.570 -12.229 1.00 0.00 C ATOM 1041 CD ARG A 66 6.778 3.740 -12.193 1.00 0.00 C ATOM 1042 NE ARG A 66 7.043 2.306 -12.014 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.151 1.392 -11.698 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.877 1.625 -11.675 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.520 0.190 -11.382 1.00 0.00 N ATOM 0 H ARG A 66 8.815 6.790 -10.951 1.00 0.00 H new ATOM 0 HA ARG A 66 10.783 5.022 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.212 3.307 -10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.337 4.585 -10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.810 5.626 -12.319 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.641 4.304 -13.115 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.143 4.094 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.225 3.892 -13.120 1.00 0.00 H new ATOM 0 HE ARG A 66 8.004 1.991 -12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.524 2.553 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.227 0.881 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.510 -0.055 -11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.820 -0.511 -11.139 1.00 0.00 H new ATOM 1059 N ASN A 67 11.173 5.634 -13.177 1.00 0.00 N ATOM 1060 CA ASN A 67 12.107 5.478 -14.299 1.00 0.00 C ATOM 1061 C ASN A 67 13.579 5.755 -13.915 1.00 0.00 C ATOM 1062 O ASN A 67 14.488 5.318 -14.620 1.00 0.00 O ATOM 1063 CB ASN A 67 11.644 6.392 -15.447 1.00 0.00 C ATOM 1064 CG ASN A 67 10.270 6.009 -15.974 1.00 0.00 C ATOM 1065 OD1 ASN A 67 10.094 5.000 -16.643 1.00 0.00 O ATOM 1066 ND2 ASN A 67 9.253 6.787 -15.683 1.00 0.00 N ATOM 0 H ASN A 67 10.534 6.420 -13.295 1.00 0.00 H new ATOM 0 HA ASN A 67 12.089 4.435 -14.615 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.622 7.425 -15.099 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.368 6.345 -16.260 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.318 6.550 -16.015 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.398 7.629 -15.125 1.00 0.00 H new ATOM 1073 N GLU A 68 13.833 6.445 -12.796 1.00 0.00 N ATOM 1074 CA GLU A 68 15.180 6.653 -12.237 1.00 0.00 C ATOM 1075 C GLU A 68 15.709 5.441 -11.443 1.00 0.00 C ATOM 1076 O GLU A 68 16.894 5.402 -11.101 1.00 0.00 O ATOM 1077 CB GLU A 68 15.193 7.908 -11.345 1.00 0.00 C ATOM 1078 CG GLU A 68 14.742 9.198 -12.052 1.00 0.00 C ATOM 1079 CD GLU A 68 15.522 9.502 -13.350 1.00 0.00 C ATOM 1080 OE1 GLU A 68 14.899 9.966 -14.336 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.762 9.310 -13.389 1.00 0.00 O ATOM 0 H GLU A 68 13.097 6.883 -12.242 1.00 0.00 H new ATOM 0 HA GLU A 68 15.849 6.786 -13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.545 7.734 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.202 8.054 -10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.680 9.121 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.856 10.037 -11.365 1.00 0.00 H new ATOM 1088 N ILE A 69 14.862 4.451 -11.139 1.00 0.00 N ATOM 1089 CA ILE A 69 15.253 3.203 -10.473 1.00 0.00 C ATOM 1090 C ILE A 69 15.963 2.280 -11.479 1.00 0.00 C ATOM 1091 O ILE A 69 15.471 2.047 -12.587 1.00 0.00 O ATOM 1092 CB ILE A 69 14.027 2.505 -9.832 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.285 3.449 -8.855 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.452 1.221 -9.099 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.969 2.872 -8.320 1.00 0.00 C ATOM 0 H ILE A 69 13.866 4.496 -11.353 1.00 0.00 H new ATOM 0 HA ILE A 69 15.947 3.436 -9.665 1.00 0.00 H new ATOM 0 HB ILE A 69 13.343 2.243 -10.639 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.941 3.675 -8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.079 4.392 -9.361 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.576 0.747 -8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.917 0.535 -9.807 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.165 1.470 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.506 3.589 -7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.294 2.672 -9.152 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.170 1.944 -7.784 1.00 0.00 H new ATOM 1107 N LYS A 70 17.101 1.722 -11.060 1.00 0.00 N ATOM 1108 CA LYS A 70 17.899 0.711 -11.771 1.00 0.00 C ATOM 1109 C LYS A 70 18.133 -0.537 -10.912 1.00 0.00 C ATOM 1110 O LYS A 70 17.890 -0.522 -9.704 1.00 0.00 O ATOM 1111 CB LYS A 70 19.208 1.335 -12.302 1.00 0.00 C ATOM 1112 CG LYS A 70 20.194 1.873 -11.240 1.00 0.00 C ATOM 1113 CD LYS A 70 19.926 3.300 -10.724 1.00 0.00 C ATOM 1114 CE LYS A 70 20.093 4.359 -11.824 1.00 0.00 C ATOM 1115 NZ LYS A 70 19.702 5.706 -11.338 1.00 0.00 N ATOM 0 H LYS A 70 17.517 1.976 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 70 17.333 0.368 -12.637 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.726 0.585 -12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.948 2.154 -12.973 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.184 1.193 -10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.199 1.844 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.915 3.354 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.608 3.521 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.130 4.378 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.483 4.090 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.982 6.422 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.672 5.740 -11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.178 5.901 -10.434 1.00 0.00 H new ATOM 1129 N ASN A 71 18.604 -1.624 -11.520 1.00 0.00 N ATOM 1130 CA ASN A 71 18.863 -2.879 -10.811 1.00 0.00 C ATOM 1131 C ASN A 71 19.919 -2.691 -9.699 1.00 0.00 C ATOM 1132 O ASN A 71 21.060 -2.310 -9.972 1.00 0.00 O ATOM 1133 CB ASN A 71 19.267 -3.946 -11.844 1.00 0.00 C ATOM 1134 CG ASN A 71 19.231 -5.339 -11.248 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.184 -5.828 -10.852 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.354 -6.012 -11.147 1.00 0.00 N ATOM 0 H ASN A 71 18.817 -1.661 -12.517 1.00 0.00 H new ATOM 0 HA ASN A 71 17.960 -3.214 -10.300 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.594 -3.898 -12.700 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.270 -3.734 -12.215 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.354 -6.946 -10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.227 -5.601 -11.479 1.00 0.00 H new ATOM 1143 N GLY A 72 19.528 -2.947 -8.448 1.00 0.00 N ATOM 1144 CA GLY A 72 20.343 -2.736 -7.244 1.00 0.00 C ATOM 1145 C GLY A 72 20.174 -1.366 -6.563 1.00 0.00 C ATOM 1146 O GLY A 72 21.005 -1.010 -5.724 1.00 0.00 O ATOM 0 H GLY A 72 18.603 -3.320 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.100 -3.514 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.392 -2.864 -7.509 1.00 0.00 H new ATOM 1150 N THR A 73 19.136 -0.582 -6.892 1.00 0.00 N ATOM 1151 CA THR A 73 18.875 0.727 -6.250 1.00 0.00 C ATOM 1152 C THR A 73 18.531 0.560 -4.767 1.00 0.00 C ATOM 1153 O THR A 73 17.652 -0.232 -4.413 1.00 0.00 O ATOM 1154 CB THR A 73 17.741 1.505 -6.942 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.081 1.739 -8.285 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.460 2.887 -6.347 1.00 0.00 C ATOM 0 H THR A 73 18.453 -0.831 -7.607 1.00 0.00 H new ATOM 0 HA THR A 73 19.797 1.300 -6.350 1.00 0.00 H new ATOM 0 HB THR A 73 16.858 0.879 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.227 0.883 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.647 3.361 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.177 2.782 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.356 3.504 -6.420 1.00 0.00 H new ATOM 1164 N ILE A 74 19.187 1.329 -3.893 1.00 0.00 N ATOM 1165 CA ILE A 74 18.819 1.422 -2.476 1.00 0.00 C ATOM 1166 C ILE A 74 17.698 2.461 -2.316 1.00 0.00 C ATOM 1167 O ILE A 74 17.850 3.629 -2.686 1.00 0.00 O ATOM 1168 CB ILE A 74 20.034 1.722 -1.567 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.236 0.797 -1.880 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.619 1.559 -0.090 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.517 1.181 -1.133 1.00 0.00 C ATOM 0 H ILE A 74 19.989 1.905 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 74 18.450 0.451 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 74 20.352 2.747 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.970 -0.229 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.431 0.818 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.473 1.770 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.811 2.254 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.279 0.538 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.316 0.490 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.808 2.195 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.340 1.132 -0.059 1.00 0.00 H new ATOM 1183 N LEU A 75 16.568 2.027 -1.765 1.00 0.00 N ATOM 1184 CA LEU A 75 15.378 2.831 -1.483 1.00 0.00 C ATOM 1185 C LEU A 75 15.087 2.859 0.027 1.00 0.00 C ATOM 1186 O LEU A 75 15.735 2.173 0.817 1.00 0.00 O ATOM 1187 CB LEU A 75 14.182 2.274 -2.283 1.00 0.00 C ATOM 1188 CG LEU A 75 14.320 2.301 -3.818 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.079 1.671 -4.447 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.448 3.722 -4.369 1.00 0.00 C ATOM 0 H LEU A 75 16.449 1.053 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 75 15.553 3.861 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.012 1.243 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.292 2.841 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 75 15.226 1.748 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.173 1.688 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.983 0.640 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.195 2.235 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.542 3.684 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.562 4.297 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.331 4.199 -3.944 1.00 0.00 H new ATOM 1202 N ARG A 76 14.094 3.646 0.437 1.00 0.00 N ATOM 1203 CA ARG A 76 13.632 3.809 1.817 1.00 0.00 C ATOM 1204 C ARG A 76 12.112 3.938 1.846 1.00 0.00 C ATOM 1205 O ARG A 76 11.547 4.686 1.048 1.00 0.00 O ATOM 1206 CB ARG A 76 14.345 5.040 2.401 1.00 0.00 C ATOM 1207 CG ARG A 76 14.107 5.214 3.907 1.00 0.00 C ATOM 1208 CD ARG A 76 14.944 6.358 4.498 1.00 0.00 C ATOM 1209 NE ARG A 76 16.396 6.135 4.320 1.00 0.00 N ATOM 1210 CZ ARG A 76 17.273 6.920 3.727 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.983 8.095 3.245 1.00 0.00 N ATOM 1212 NH2 ARG A 76 18.489 6.497 3.588 1.00 0.00 N ATOM 0 H ARG A 76 13.561 4.218 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 76 13.876 2.940 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.416 4.954 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.002 5.933 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.050 5.410 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.351 4.284 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.661 7.297 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.721 6.459 5.560 1.00 0.00 H new ATOM 0 HE ARG A 76 16.764 5.265 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.031 8.455 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.708 8.655 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.751 5.574 3.934 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.185 7.087 3.132 1.00 0.00 H new ATOM 1226 N LEU A 77 11.447 3.218 2.747 1.00 0.00 N ATOM 1227 CA LEU A 77 10.018 3.391 3.015 1.00 0.00 C ATOM 1228 C LEU A 77 9.794 4.609 3.925 1.00 0.00 C ATOM 1229 O LEU A 77 10.520 4.813 4.898 1.00 0.00 O ATOM 1230 CB LEU A 77 9.449 2.091 3.607 1.00 0.00 C ATOM 1231 CG LEU A 77 7.954 2.138 3.944 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.114 2.212 2.664 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.542 0.889 4.709 1.00 0.00 C ATOM 0 H LEU A 77 11.885 2.494 3.316 1.00 0.00 H new ATOM 0 HA LEU A 77 9.481 3.591 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.622 1.280 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.004 1.848 4.513 1.00 0.00 H new ATOM 0 HG LEU A 77 7.781 3.025 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.056 2.245 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.378 3.111 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.309 1.333 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.478 0.938 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.740 0.007 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.112 0.825 5.636 1.00 0.00 H new ATOM 1245 N THR A 78 8.788 5.423 3.610 1.00 0.00 N ATOM 1246 CA THR A 78 8.470 6.666 4.326 1.00 0.00 C ATOM 1247 C THR A 78 7.002 7.047 4.095 1.00 0.00 C ATOM 1248 O THR A 78 6.430 6.691 3.062 1.00 0.00 O ATOM 1249 CB THR A 78 9.455 7.774 3.887 1.00 0.00 C ATOM 1250 OG1 THR A 78 9.137 9.009 4.492 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.525 8.001 2.371 1.00 0.00 C ATOM 0 H THR A 78 8.154 5.236 2.833 1.00 0.00 H new ATOM 0 HA THR A 78 8.591 6.527 5.400 1.00 0.00 H new ATOM 0 HB THR A 78 10.428 7.409 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.776 9.691 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.240 8.795 2.155 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.844 7.082 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.541 8.288 2.000 1.00 0.00 H new ATOM 1259 N THR A 79 6.342 7.736 5.034 1.00 0.00 N ATOM 1260 CA THR A 79 5.013 8.305 4.749 1.00 0.00 C ATOM 1261 C THR A 79 5.137 9.502 3.799 1.00 0.00 C ATOM 1262 O THR A 79 6.051 10.320 3.927 1.00 0.00 O ATOM 1263 CB THR A 79 4.183 8.653 5.993 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.809 9.604 6.831 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.840 7.419 6.829 1.00 0.00 C ATOM 0 H THR A 79 6.692 7.912 5.976 1.00 0.00 H new ATOM 0 HA THR A 79 4.448 7.512 4.259 1.00 0.00 H new ATOM 0 HB THR A 79 3.266 9.089 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.235 9.787 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.253 7.719 7.697 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.263 6.719 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.760 6.938 7.162 1.00 0.00 H new ATOM 1273 N SER A 80 4.229 9.604 2.827 1.00 0.00 N ATOM 1274 CA SER A 80 4.260 10.633 1.781 1.00 0.00 C ATOM 1275 C SER A 80 4.041 12.051 2.350 1.00 0.00 C ATOM 1276 O SER A 80 3.502 12.188 3.457 1.00 0.00 O ATOM 1277 CB SER A 80 3.230 10.294 0.694 1.00 0.00 C ATOM 1278 OG SER A 80 1.922 10.700 1.055 1.00 0.00 O ATOM 0 H SER A 80 3.438 8.965 2.741 1.00 0.00 H new ATOM 0 HA SER A 80 5.255 10.637 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.515 10.779 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.238 9.220 0.510 1.00 0.00 H new ATOM 0 HG SER A 80 1.297 10.468 0.336 1.00 0.00 H new