USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 45 GLN : amide:sc= -7.57! C(o=-7.6!,f=-8.6!) USER MOD Set 2.1: A 28 MET CE :methyl -138:sc= -3.31! (180deg=-1.92) USER MOD Set 2.2: A 33 SER OG : rot -170:sc= -3.15! USER MOD Single : A 9 THR OG1 : rot -26:sc= 0.701 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -3.61! C(o=-3.6!,f=-3.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc=0.000177 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -1:sc= -4.92! USER MOD Single : A 51 TYR OH : rot -30:sc= -0.907 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 71:sc= 0.425 USER MOD Single : A 61 THR OG1 : rot -160:sc= -0.76 USER MOD Single : A 65 THR OG1 : rot -160:sc= -3.48! USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 9 12.405 -5.574 0.551 1.00 0.00 N ATOM 74 CA THR A 9 11.501 -4.442 0.442 1.00 0.00 C ATOM 75 C THR A 9 10.239 -4.840 -0.325 1.00 0.00 C ATOM 76 O THR A 9 10.104 -5.985 -0.756 1.00 0.00 O ATOM 77 CB THR A 9 12.266 -3.286 -0.205 1.00 0.00 C ATOM 78 OG1 THR A 9 12.940 -3.889 -1.306 1.00 0.00 O ATOM 79 CG2 THR A 9 13.397 -2.763 0.683 1.00 0.00 C ATOM 0 HA THR A 9 11.158 -4.114 1.423 1.00 0.00 H new ATOM 0 HB THR A 9 11.575 -2.473 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.081 -4.841 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.908 -1.944 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.984 -2.406 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.107 -3.567 0.879 1.00 0.00 H new ATOM 87 N VAL A 10 9.345 -3.873 -0.473 1.00 0.00 N ATOM 88 CA VAL A 10 8.098 -4.109 -1.181 1.00 0.00 C ATOM 89 C VAL A 10 7.752 -2.876 -2.018 1.00 0.00 C ATOM 90 O VAL A 10 8.101 -1.755 -1.653 1.00 0.00 O ATOM 91 CB VAL A 10 6.996 -4.486 -0.188 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.612 -4.334 -0.823 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.202 -5.905 0.346 1.00 0.00 C ATOM 0 H VAL A 10 9.459 -2.925 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 10 8.201 -4.950 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 10 7.055 -3.799 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.847 -4.608 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.465 -3.299 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.537 -4.987 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.406 -6.148 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.182 -6.612 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.165 -5.967 0.853 1.00 0.00 H new ATOM 103 N LYS A 11 7.069 -3.126 -3.126 1.00 0.00 N ATOM 104 CA LYS A 11 6.672 -2.050 -4.019 1.00 0.00 C ATOM 105 C LYS A 11 5.276 -1.559 -3.630 1.00 0.00 C ATOM 106 O LYS A 11 4.363 -2.361 -3.439 1.00 0.00 O ATOM 107 CB LYS A 11 6.782 -2.497 -5.478 1.00 0.00 C ATOM 108 CG LYS A 11 8.244 -2.702 -5.880 1.00 0.00 C ATOM 109 CD LYS A 11 8.392 -3.904 -6.816 1.00 0.00 C ATOM 110 CE LYS A 11 8.730 -5.172 -6.030 1.00 0.00 C ATOM 111 NZ LYS A 11 7.869 -6.295 -6.462 1.00 0.00 N ATOM 0 H LYS A 11 6.781 -4.057 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 11 7.349 -1.201 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.228 -3.425 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.324 -1.750 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.619 -1.805 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.852 -2.854 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.466 -4.052 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.175 -3.706 -7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.778 -5.431 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.595 -4.992 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.112 -7.148 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.872 -6.051 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.018 -6.477 -7.475 1.00 0.00 H new ATOM 125 N VAL A 12 5.155 -0.244 -3.523 1.00 0.00 N ATOM 126 CA VAL A 12 3.886 0.363 -3.159 1.00 0.00 C ATOM 127 C VAL A 12 3.422 1.282 -4.291 1.00 0.00 C ATOM 128 O VAL A 12 4.230 1.992 -4.889 1.00 0.00 O ATOM 129 CB VAL A 12 4.017 1.086 -1.817 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.730 1.839 -1.473 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.395 0.109 -0.703 1.00 0.00 C ATOM 0 H VAL A 12 5.915 0.418 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 12 3.121 -0.402 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 12 4.820 1.818 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.849 2.344 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.521 2.576 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.901 1.134 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.482 0.648 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.624 -0.657 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.349 -0.362 -0.940 1.00 0.00 H new ATOM 141 N TYR A 13 2.124 1.238 -4.552 1.00 0.00 N ATOM 142 CA TYR A 13 1.544 2.058 -5.602 1.00 0.00 C ATOM 143 C TYR A 13 0.654 3.155 -5.013 1.00 0.00 C ATOM 144 O TYR A 13 -0.375 2.864 -4.404 1.00 0.00 O ATOM 145 CB TYR A 13 0.681 1.117 -6.445 1.00 0.00 C ATOM 146 CG TYR A 13 1.459 0.360 -7.523 1.00 0.00 C ATOM 147 CD1 TYR A 13 1.971 1.039 -8.610 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.647 -1.003 -7.410 1.00 0.00 C ATOM 149 CE1 TYR A 13 2.702 0.326 -9.625 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.379 -1.716 -8.425 1.00 0.00 C ATOM 151 CZ TYR A 13 2.870 -1.016 -9.483 1.00 0.00 C ATOM 152 OH TYR A 13 3.561 -1.689 -10.442 1.00 0.00 O ATOM 0 H TYR A 13 1.458 0.647 -4.055 1.00 0.00 H new ATOM 0 HA TYR A 13 2.327 2.543 -6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.197 0.396 -5.786 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.111 1.695 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.823 2.105 -8.699 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.245 -1.535 -6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.108 0.846 -10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.535 -2.782 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 13 3.603 -2.640 -10.208 1.00 0.00 H new ATOM 162 N LEU A 14 1.083 4.392 -5.214 1.00 0.00 N ATOM 163 CA LEU A 14 0.338 5.533 -4.710 1.00 0.00 C ATOM 164 C LEU A 14 -0.713 5.947 -5.742 1.00 0.00 C ATOM 165 O LEU A 14 -0.572 5.656 -6.929 1.00 0.00 O ATOM 166 CB LEU A 14 1.291 6.664 -4.316 1.00 0.00 C ATOM 167 CG LEU A 14 1.950 6.536 -2.941 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.212 7.396 -2.856 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.956 6.865 -1.825 1.00 0.00 C ATOM 0 H LEU A 14 1.937 4.629 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.197 5.266 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.076 6.730 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.740 7.604 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 14 2.257 5.499 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.661 7.287 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.924 7.074 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.952 8.441 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.449 6.767 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.597 7.887 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.113 6.176 -1.874 1.00 0.00 H new ATOM 181 N PRO A 15 -1.771 6.638 -5.240 1.00 0.00 N ATOM 182 CA PRO A 15 -2.846 7.095 -6.105 1.00 0.00 C ATOM 183 C PRO A 15 -2.406 8.303 -6.934 1.00 0.00 C ATOM 184 O PRO A 15 -3.048 9.352 -6.899 1.00 0.00 O ATOM 185 CB PRO A 15 -4.001 7.406 -5.167 1.00 0.00 C ATOM 186 CG PRO A 15 -3.386 7.557 -3.785 1.00 0.00 C ATOM 187 CD PRO A 15 -1.973 7.001 -3.840 1.00 0.00 C ATOM 0 HA PRO A 15 -3.140 6.348 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.514 8.319 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.741 6.606 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.372 8.605 -3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.978 7.021 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.243 7.742 -3.514 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.862 6.136 -3.187 1.00 0.00 H new ATOM 195 N ASN A 16 -1.314 8.116 -7.661 1.00 0.00 N ATOM 196 CA ASN A 16 -0.781 9.178 -8.497 1.00 0.00 C ATOM 197 C ASN A 16 0.064 8.565 -9.616 1.00 0.00 C ATOM 198 O ASN A 16 0.969 9.212 -10.141 1.00 0.00 O ATOM 199 CB ASN A 16 0.115 10.119 -7.689 1.00 0.00 C ATOM 200 CG ASN A 16 -0.098 11.574 -8.109 1.00 0.00 C ATOM 201 OD1 ASN A 16 0.486 12.065 -9.061 1.00 0.00 O ATOM 202 ND2 ASN A 16 -0.965 12.235 -7.347 1.00 0.00 N ATOM 0 H ASN A 16 -0.784 7.245 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.621 9.741 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.100 10.008 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.160 9.845 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.176 13.213 -7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.419 11.764 -6.565 1.00 0.00 H new ATOM 209 N LYS A 17 -0.261 7.324 -9.947 1.00 0.00 N ATOM 210 CA LYS A 17 0.457 6.616 -10.993 1.00 0.00 C ATOM 211 C LYS A 17 1.922 6.455 -10.581 1.00 0.00 C ATOM 212 O LYS A 17 2.767 6.109 -11.405 1.00 0.00 O ATOM 213 CB LYS A 17 0.271 7.318 -12.340 1.00 0.00 C ATOM 214 CG LYS A 17 -1.032 6.879 -13.011 1.00 0.00 C ATOM 215 CD LYS A 17 -1.298 7.694 -14.278 1.00 0.00 C ATOM 216 CE LYS A 17 -2.783 8.040 -14.406 1.00 0.00 C ATOM 217 NZ LYS A 17 -2.971 9.507 -14.453 1.00 0.00 N ATOM 0 H LYS A 17 -1.012 6.791 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 17 0.050 5.613 -11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.263 8.398 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.115 7.091 -12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.978 5.819 -13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.862 7.000 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.708 8.610 -14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.976 7.129 -15.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.192 7.586 -15.309 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.334 7.624 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.984 9.725 -14.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.599 9.933 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.462 9.896 -15.272 1.00 0.00 H new ATOM 231 N GLN A 18 2.177 6.713 -9.307 1.00 0.00 N ATOM 232 CA GLN A 18 3.525 6.601 -8.776 1.00 0.00 C ATOM 233 C GLN A 18 3.616 5.421 -7.806 1.00 0.00 C ATOM 234 O GLN A 18 2.596 4.887 -7.375 1.00 0.00 O ATOM 235 CB GLN A 18 3.957 7.903 -8.098 1.00 0.00 C ATOM 236 CG GLN A 18 4.302 8.973 -9.136 1.00 0.00 C ATOM 237 CD GLN A 18 5.809 9.237 -9.172 1.00 0.00 C ATOM 238 OE1 GLN A 18 6.497 8.925 -10.129 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.280 9.826 -8.077 1.00 0.00 N ATOM 0 H GLN A 18 1.473 6.999 -8.627 1.00 0.00 H new ATOM 0 HA GLN A 18 4.208 6.418 -9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.157 8.263 -7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.822 7.716 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.962 8.652 -10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.773 9.897 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.648 10.060 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.274 10.044 -8.002 1.00 0.00 H new ATOM 248 N ARG A 19 4.849 5.049 -7.492 1.00 0.00 N ATOM 249 CA ARG A 19 5.087 3.942 -6.581 1.00 0.00 C ATOM 250 C ARG A 19 6.330 4.213 -5.731 1.00 0.00 C ATOM 251 O ARG A 19 7.197 4.993 -6.123 1.00 0.00 O ATOM 252 CB ARG A 19 5.277 2.631 -7.346 1.00 0.00 C ATOM 253 CG ARG A 19 6.237 2.816 -8.523 1.00 0.00 C ATOM 254 CD ARG A 19 6.086 1.680 -9.537 1.00 0.00 C ATOM 255 NE ARG A 19 6.332 2.187 -10.905 1.00 0.00 N ATOM 256 CZ ARG A 19 7.524 2.615 -11.345 1.00 0.00 C ATOM 257 NH1 ARG A 19 8.585 2.599 -10.527 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.654 3.058 -12.603 1.00 0.00 N ATOM 0 H ARG A 19 5.693 5.494 -7.852 1.00 0.00 H new ATOM 0 HA ARG A 19 4.214 3.850 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.665 1.866 -6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.313 2.276 -7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.041 3.771 -9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.264 2.849 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.788 0.879 -9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.085 1.255 -9.473 1.00 0.00 H new ATOM 0 HE ARG A 19 5.546 2.213 -11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.486 2.261 -9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.492 2.925 -10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.846 3.070 -13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.561 3.384 -12.938 1.00 0.00 H new ATOM 272 N THR A 20 6.378 3.553 -4.583 1.00 0.00 N ATOM 273 CA THR A 20 7.500 3.713 -3.674 1.00 0.00 C ATOM 274 C THR A 20 7.894 2.363 -3.072 1.00 0.00 C ATOM 275 O THR A 20 7.036 1.521 -2.811 1.00 0.00 O ATOM 276 CB THR A 20 7.114 4.757 -2.625 1.00 0.00 C ATOM 277 OG1 THR A 20 8.327 5.008 -1.922 1.00 0.00 O ATOM 278 CG2 THR A 20 6.174 4.194 -1.557 1.00 0.00 C ATOM 0 H THR A 20 5.658 2.906 -4.262 1.00 0.00 H new ATOM 0 HA THR A 20 8.386 4.071 -4.198 1.00 0.00 H new ATOM 0 HB THR A 20 6.638 5.606 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.168 5.676 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.931 4.976 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.258 3.838 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.662 3.366 -1.043 1.00 0.00 H new ATOM 286 N VAL A 21 9.193 2.199 -2.868 1.00 0.00 N ATOM 287 CA VAL A 21 9.712 0.965 -2.301 1.00 0.00 C ATOM 288 C VAL A 21 9.827 1.116 -0.783 1.00 0.00 C ATOM 289 O VAL A 21 10.512 2.014 -0.295 1.00 0.00 O ATOM 290 CB VAL A 21 11.039 0.600 -2.968 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.252 -0.915 -2.974 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.116 1.171 -4.386 1.00 0.00 C ATOM 0 H VAL A 21 9.902 2.900 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 21 9.029 0.138 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 21 11.842 1.048 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.203 -1.147 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.263 -1.285 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.442 -1.394 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.070 0.897 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.301 0.766 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.033 2.257 -4.346 1.00 0.00 H new ATOM 302 N VAL A 22 9.146 0.224 -0.078 1.00 0.00 N ATOM 303 CA VAL A 22 9.164 0.247 1.375 1.00 0.00 C ATOM 304 C VAL A 22 9.951 -0.960 1.890 1.00 0.00 C ATOM 305 O VAL A 22 10.215 -1.899 1.140 1.00 0.00 O ATOM 306 CB VAL A 22 7.733 0.302 1.914 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.726 0.379 3.442 1.00 0.00 C ATOM 308 CG2 VAL A 22 6.962 1.473 1.303 1.00 0.00 C ATOM 0 H VAL A 22 8.579 -0.519 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 22 9.669 1.143 1.737 1.00 0.00 H new ATOM 0 HB VAL A 22 7.229 -0.619 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.697 0.417 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.221 -0.501 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.255 1.276 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.948 1.489 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.465 2.408 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.923 1.357 0.220 1.00 0.00 H new ATOM 318 N THR A 23 10.303 -0.896 3.165 1.00 0.00 N ATOM 319 CA THR A 23 11.055 -1.972 3.789 1.00 0.00 C ATOM 320 C THR A 23 10.113 -2.909 4.547 1.00 0.00 C ATOM 321 O THR A 23 9.166 -2.458 5.190 1.00 0.00 O ATOM 322 CB THR A 23 12.131 -1.343 4.677 1.00 0.00 C ATOM 323 OG1 THR A 23 12.843 -0.476 3.798 1.00 0.00 O ATOM 324 CG2 THR A 23 13.182 -2.359 5.130 1.00 0.00 C ATOM 0 H THR A 23 10.082 -0.116 3.784 1.00 0.00 H new ATOM 0 HA THR A 23 11.551 -2.593 3.043 1.00 0.00 H new ATOM 0 HB THR A 23 11.662 -0.890 5.551 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.559 -0.025 4.292 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.922 -1.862 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.699 -3.153 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.675 -2.787 4.257 1.00 0.00 H new ATOM 332 N VAL A 24 10.407 -4.198 4.448 1.00 0.00 N ATOM 333 CA VAL A 24 9.598 -5.203 5.116 1.00 0.00 C ATOM 334 C VAL A 24 10.107 -5.391 6.547 1.00 0.00 C ATOM 335 O VAL A 24 11.189 -5.936 6.758 1.00 0.00 O ATOM 336 CB VAL A 24 9.601 -6.501 4.305 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.327 -7.309 4.560 1.00 0.00 C ATOM 338 CG2 VAL A 24 9.779 -6.214 2.813 1.00 0.00 C ATOM 0 H VAL A 24 11.194 -4.569 3.915 1.00 0.00 H new ATOM 0 HA VAL A 24 8.560 -4.878 5.180 1.00 0.00 H new ATOM 0 HB VAL A 24 10.450 -7.101 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.354 -8.226 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.260 -7.559 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.458 -6.718 4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.778 -7.153 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.960 -5.585 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.726 -5.699 2.652 1.00 0.00 H new ATOM 348 N ARG A 25 9.301 -4.931 7.493 1.00 0.00 N ATOM 349 CA ARG A 25 9.656 -5.041 8.897 1.00 0.00 C ATOM 350 C ARG A 25 8.671 -5.962 9.622 1.00 0.00 C ATOM 351 O ARG A 25 7.503 -6.044 9.248 1.00 0.00 O ATOM 352 CB ARG A 25 9.655 -3.670 9.575 1.00 0.00 C ATOM 353 CG ARG A 25 10.536 -2.680 8.811 1.00 0.00 C ATOM 354 CD ARG A 25 11.252 -1.729 9.771 1.00 0.00 C ATOM 355 NE ARG A 25 12.142 -2.494 10.672 1.00 0.00 N ATOM 356 CZ ARG A 25 11.811 -2.868 11.916 1.00 0.00 C ATOM 357 NH1 ARG A 25 10.609 -2.548 12.414 1.00 0.00 N ATOM 358 NH2 ARG A 25 12.682 -3.561 12.662 1.00 0.00 N ATOM 0 H ARG A 25 8.403 -4.481 7.314 1.00 0.00 H new ATOM 0 HA ARG A 25 10.661 -5.460 8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.636 -3.288 9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.014 -3.767 10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.271 -3.224 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.925 -2.107 8.114 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.833 -0.999 9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.521 -1.171 10.356 1.00 0.00 H new ATOM 0 HE ARG A 25 13.065 -2.753 10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.946 -2.020 11.847 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.357 -2.833 13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.597 -3.804 12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.430 -3.845 13.609 1.00 0.00 H new ATOM 372 N ASP A 26 9.181 -6.630 10.646 1.00 0.00 N ATOM 373 CA ASP A 26 8.361 -7.542 11.427 1.00 0.00 C ATOM 374 C ASP A 26 8.045 -6.903 12.781 1.00 0.00 C ATOM 375 O ASP A 26 8.612 -7.290 13.801 1.00 0.00 O ATOM 376 CB ASP A 26 9.095 -8.859 11.685 1.00 0.00 C ATOM 377 CG ASP A 26 8.391 -9.812 12.653 1.00 0.00 C ATOM 378 OD1 ASP A 26 7.328 -9.410 13.173 1.00 0.00 O ATOM 379 OD2 ASP A 26 8.932 -10.922 12.851 1.00 0.00 O ATOM 0 H ASP A 26 10.151 -6.558 10.953 1.00 0.00 H new ATOM 0 HA ASP A 26 7.449 -7.742 10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.237 -9.371 10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.087 -8.634 12.077 1.00 0.00 H new ATOM 384 N GLY A 27 7.140 -5.936 12.746 1.00 0.00 N ATOM 385 CA GLY A 27 6.741 -5.241 13.958 1.00 0.00 C ATOM 386 C GLY A 27 5.769 -4.102 13.642 1.00 0.00 C ATOM 387 O GLY A 27 4.653 -4.072 14.158 1.00 0.00 O ATOM 0 H GLY A 27 6.672 -5.617 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.272 -5.944 14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.623 -4.843 14.460 1.00 0.00 H new ATOM 391 N MET A 28 6.230 -3.192 12.796 1.00 0.00 N ATOM 392 CA MET A 28 5.415 -2.054 12.405 1.00 0.00 C ATOM 393 C MET A 28 4.102 -2.512 11.768 1.00 0.00 C ATOM 394 O MET A 28 3.955 -3.680 11.413 1.00 0.00 O ATOM 395 CB MET A 28 6.191 -1.188 11.410 1.00 0.00 C ATOM 396 CG MET A 28 6.127 -1.782 10.001 1.00 0.00 C ATOM 397 SD MET A 28 7.445 -1.117 8.998 1.00 0.00 S ATOM 398 CE MET A 28 6.871 0.563 8.808 1.00 0.00 C ATOM 0 H MET A 28 7.157 -3.220 12.371 1.00 0.00 H new ATOM 0 HA MET A 28 5.180 -1.475 13.298 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.779 -0.179 11.402 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.231 -1.106 11.727 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.209 -2.868 10.051 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.163 -1.556 9.546 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.028 0.887 7.779 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.809 0.614 9.046 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.425 1.215 9.483 1.00 0.00 H new ATOM 408 N SER A 29 3.181 -1.568 11.643 1.00 0.00 N ATOM 409 CA SER A 29 1.885 -1.860 11.055 1.00 0.00 C ATOM 410 C SER A 29 1.835 -1.346 9.615 1.00 0.00 C ATOM 411 O SER A 29 2.858 -0.949 9.059 1.00 0.00 O ATOM 412 CB SER A 29 0.754 -1.240 11.879 1.00 0.00 C ATOM 413 OG SER A 29 0.899 -1.507 13.271 1.00 0.00 O ATOM 0 H SER A 29 3.307 -0.600 11.939 1.00 0.00 H new ATOM 0 HA SER A 29 1.747 -2.941 11.053 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.736 -0.162 11.717 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.203 -1.631 11.533 1.00 0.00 H new ATOM 0 HG SER A 29 0.159 -1.093 13.762 1.00 0.00 H new ATOM 419 N VAL A 30 0.636 -1.371 9.052 1.00 0.00 N ATOM 420 CA VAL A 30 0.440 -0.913 7.688 1.00 0.00 C ATOM 421 C VAL A 30 0.360 0.615 7.674 1.00 0.00 C ATOM 422 O VAL A 30 0.836 1.257 6.739 1.00 0.00 O ATOM 423 CB VAL A 30 -0.796 -1.582 7.083 1.00 0.00 C ATOM 424 CG1 VAL A 30 -1.061 -1.067 5.667 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.656 -3.105 7.095 1.00 0.00 C ATOM 0 H VAL A 30 -0.210 -1.702 9.516 1.00 0.00 H new ATOM 0 HA VAL A 30 1.286 -1.200 7.064 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.655 -1.320 7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.945 -1.559 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.226 0.010 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.201 -1.285 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.548 -3.556 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.218 -3.395 6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.539 -3.452 8.122 1.00 0.00 H new ATOM 435 N TYR A 31 -0.246 1.154 8.722 1.00 0.00 N ATOM 436 CA TYR A 31 -0.395 2.594 8.842 1.00 0.00 C ATOM 437 C TYR A 31 0.963 3.271 9.043 1.00 0.00 C ATOM 438 O TYR A 31 1.315 4.194 8.311 1.00 0.00 O ATOM 439 CB TYR A 31 -1.256 2.827 10.085 1.00 0.00 C ATOM 440 CG TYR A 31 -1.346 4.292 10.514 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.283 4.888 11.163 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.490 5.019 10.254 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.367 6.267 11.567 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.574 6.399 10.658 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.509 6.955 11.295 1.00 0.00 C ATOM 446 OH TYR A 31 -1.588 8.258 11.676 1.00 0.00 O ATOM 0 H TYR A 31 -0.640 0.619 9.496 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.843 3.010 7.939 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.262 2.453 9.893 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.850 2.242 10.910 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.612 4.319 11.368 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.322 4.553 9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.458 6.745 12.075 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.463 6.979 10.459 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.460 8.623 11.416 1.00 0.00 H new ATOM 456 N ASP A 32 1.688 2.785 10.040 1.00 0.00 N ATOM 457 CA ASP A 32 2.999 3.331 10.347 1.00 0.00 C ATOM 458 C ASP A 32 3.927 3.124 9.148 1.00 0.00 C ATOM 459 O ASP A 32 4.993 3.732 9.070 1.00 0.00 O ATOM 460 CB ASP A 32 3.622 2.625 11.553 1.00 0.00 C ATOM 461 CG ASP A 32 3.345 3.288 12.904 1.00 0.00 C ATOM 462 OD1 ASP A 32 3.412 4.536 12.948 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.073 2.533 13.862 1.00 0.00 O ATOM 0 H ASP A 32 1.392 2.019 10.645 1.00 0.00 H new ATOM 0 HA ASP A 32 2.878 4.391 10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.253 1.600 11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.701 2.571 11.406 1.00 0.00 H new ATOM 468 N SER A 33 3.487 2.263 8.242 1.00 0.00 N ATOM 469 CA SER A 33 4.264 1.968 7.050 1.00 0.00 C ATOM 470 C SER A 33 3.850 2.901 5.911 1.00 0.00 C ATOM 471 O SER A 33 4.668 3.667 5.403 1.00 0.00 O ATOM 472 CB SER A 33 4.093 0.507 6.628 1.00 0.00 C ATOM 473 OG SER A 33 5.211 -0.292 7.005 1.00 0.00 O ATOM 0 H SER A 33 2.602 1.760 8.309 1.00 0.00 H new ATOM 0 HA SER A 33 5.317 2.131 7.280 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.189 0.102 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.958 0.455 5.548 1.00 0.00 H new ATOM 0 HG SER A 33 5.139 -1.174 6.585 1.00 0.00 H new ATOM 479 N LEU A 34 2.581 2.807 5.543 1.00 0.00 N ATOM 480 CA LEU A 34 2.048 3.634 4.473 1.00 0.00 C ATOM 481 C LEU A 34 1.921 5.077 4.965 1.00 0.00 C ATOM 482 O LEU A 34 1.583 5.972 4.192 1.00 0.00 O ATOM 483 CB LEU A 34 0.739 3.047 3.944 1.00 0.00 C ATOM 484 CG LEU A 34 0.867 2.059 2.782 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.548 2.714 1.579 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.587 0.784 3.225 1.00 0.00 C ATOM 0 H LEU A 34 1.906 2.171 5.967 1.00 0.00 H new ATOM 0 HA LEU A 34 2.731 3.645 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.230 2.545 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.097 3.869 3.627 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.135 1.770 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.627 1.991 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.958 3.569 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.545 3.050 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.665 0.098 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.586 1.035 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.024 0.308 4.028 1.00 0.00 H new ATOM 498 N ASP A 35 2.200 5.258 6.247 1.00 0.00 N ATOM 499 CA ASP A 35 2.121 6.577 6.851 1.00 0.00 C ATOM 500 C ASP A 35 2.817 7.592 5.942 1.00 0.00 C ATOM 501 O ASP A 35 2.181 8.513 5.432 1.00 0.00 O ATOM 502 CB ASP A 35 2.820 6.603 8.212 1.00 0.00 C ATOM 503 CG ASP A 35 3.149 8.000 8.743 1.00 0.00 C ATOM 504 OD1 ASP A 35 2.188 8.703 9.124 1.00 0.00 O ATOM 505 OD2 ASP A 35 4.354 8.333 8.757 1.00 0.00 O ATOM 0 H ASP A 35 2.481 4.513 6.885 1.00 0.00 H new ATOM 0 HA ASP A 35 1.068 6.825 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.187 6.094 8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.745 6.031 8.140 1.00 0.00 H new ATOM 510 N LYS A 36 4.115 7.389 5.767 1.00 0.00 N ATOM 511 CA LYS A 36 4.904 8.275 4.929 1.00 0.00 C ATOM 512 C LYS A 36 4.334 8.269 3.509 1.00 0.00 C ATOM 513 O LYS A 36 4.028 9.323 2.955 1.00 0.00 O ATOM 514 CB LYS A 36 6.386 7.899 4.998 1.00 0.00 C ATOM 515 CG LYS A 36 7.030 8.443 6.275 1.00 0.00 C ATOM 516 CD LYS A 36 7.129 9.970 6.232 1.00 0.00 C ATOM 517 CE LYS A 36 7.650 10.447 4.875 1.00 0.00 C ATOM 518 NZ LYS A 36 8.194 11.819 4.982 1.00 0.00 N ATOM 0 H LYS A 36 4.639 6.624 6.191 1.00 0.00 H new ATOM 0 HA LYS A 36 4.841 9.300 5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.492 6.815 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.907 8.296 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.443 8.137 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.025 8.014 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.149 10.407 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.793 10.317 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.425 9.769 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.844 10.425 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.543 12.127 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.445 12.465 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.977 11.830 5.667 1.00 0.00 H new ATOM 532 N ALA A 37 4.208 7.069 2.962 1.00 0.00 N ATOM 533 CA ALA A 37 3.680 6.912 1.617 1.00 0.00 C ATOM 534 C ALA A 37 2.501 7.867 1.422 1.00 0.00 C ATOM 535 O ALA A 37 2.275 8.363 0.319 1.00 0.00 O ATOM 536 CB ALA A 37 3.290 5.450 1.390 1.00 0.00 C ATOM 0 H ALA A 37 4.462 6.197 3.425 1.00 0.00 H new ATOM 0 HA ALA A 37 4.437 7.167 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.894 5.331 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.168 4.816 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.530 5.160 2.115 1.00 0.00 H new ATOM 542 N LEU A 38 1.780 8.096 2.510 1.00 0.00 N ATOM 543 CA LEU A 38 0.629 8.982 2.472 1.00 0.00 C ATOM 544 C LEU A 38 1.072 10.401 2.837 1.00 0.00 C ATOM 545 O LEU A 38 0.825 11.344 2.087 1.00 0.00 O ATOM 546 CB LEU A 38 -0.494 8.441 3.359 1.00 0.00 C ATOM 547 CG LEU A 38 -1.092 7.097 2.939 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.393 6.816 3.693 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.283 7.032 1.422 1.00 0.00 C ATOM 0 H LEU A 38 1.971 7.683 3.423 1.00 0.00 H new ATOM 0 HA LEU A 38 0.214 9.025 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.113 8.345 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.295 9.180 3.388 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.387 6.310 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.797 5.855 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.194 6.790 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.116 7.603 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.709 6.066 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.957 7.828 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.319 7.155 0.928 1.00 0.00 H new ATOM 561 N LYS A 39 1.719 10.507 3.989 1.00 0.00 N ATOM 562 CA LYS A 39 2.198 11.794 4.462 1.00 0.00 C ATOM 563 C LYS A 39 2.939 12.506 3.328 1.00 0.00 C ATOM 564 O LYS A 39 2.879 13.729 3.215 1.00 0.00 O ATOM 565 CB LYS A 39 3.037 11.620 5.730 1.00 0.00 C ATOM 566 CG LYS A 39 2.162 11.712 6.982 1.00 0.00 C ATOM 567 CD LYS A 39 0.914 10.838 6.844 1.00 0.00 C ATOM 568 CE LYS A 39 -0.111 11.172 7.930 1.00 0.00 C ATOM 569 NZ LYS A 39 -1.226 11.965 7.365 1.00 0.00 N ATOM 0 H LYS A 39 1.922 9.722 4.608 1.00 0.00 H new ATOM 0 HA LYS A 39 1.360 12.431 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.544 10.655 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.812 12.386 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.735 11.398 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.868 12.748 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.469 10.986 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.192 9.786 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.497 10.252 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.370 11.731 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.004 12.010 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.895 12.928 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.564 11.515 6.490 1.00 0.00 H new ATOM 583 N VAL A 40 3.620 11.710 2.517 1.00 0.00 N ATOM 584 CA VAL A 40 4.371 12.249 1.396 1.00 0.00 C ATOM 585 C VAL A 40 3.417 12.994 0.460 1.00 0.00 C ATOM 586 O VAL A 40 3.801 13.981 -0.165 1.00 0.00 O ATOM 587 CB VAL A 40 5.141 11.128 0.696 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.184 10.096 0.096 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.078 11.692 -0.374 1.00 0.00 C ATOM 0 H VAL A 40 3.667 10.696 2.614 1.00 0.00 H new ATOM 0 HA VAL A 40 5.113 12.968 1.743 1.00 0.00 H new ATOM 0 HB VAL A 40 5.751 10.623 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.758 9.310 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.576 9.660 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.535 10.582 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.613 10.874 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.495 12.234 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.794 12.370 0.090 1.00 0.00 H new ATOM 599 N ARG A 41 2.192 12.494 0.394 1.00 0.00 N ATOM 600 CA ARG A 41 1.181 13.100 -0.455 1.00 0.00 C ATOM 601 C ARG A 41 0.109 13.779 0.399 1.00 0.00 C ATOM 602 O ARG A 41 -0.865 14.313 -0.130 1.00 0.00 O ATOM 603 CB ARG A 41 0.520 12.056 -1.356 1.00 0.00 C ATOM 604 CG ARG A 41 1.557 11.356 -2.237 1.00 0.00 C ATOM 605 CD ARG A 41 0.878 10.526 -3.329 1.00 0.00 C ATOM 606 NE ARG A 41 1.494 10.816 -4.643 1.00 0.00 N ATOM 607 CZ ARG A 41 1.372 11.985 -5.287 1.00 0.00 C ATOM 608 NH1 ARG A 41 0.657 12.979 -4.744 1.00 0.00 N ATOM 609 NH2 ARG A 41 1.966 12.159 -6.476 1.00 0.00 N ATOM 0 H ARG A 41 1.877 11.676 0.915 1.00 0.00 H new ATOM 0 HA ARG A 41 1.676 13.842 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.001 11.319 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.231 12.535 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.212 12.098 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.185 10.711 -1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.971 9.464 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.188 10.753 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 41 2.045 10.081 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.205 12.847 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.565 13.868 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.510 11.402 -6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.874 13.048 -6.967 1.00 0.00 H new ATOM 623 N GLY A 42 0.324 13.738 1.706 1.00 0.00 N ATOM 624 CA GLY A 42 -0.612 14.343 2.638 1.00 0.00 C ATOM 625 C GLY A 42 -1.958 13.616 2.613 1.00 0.00 C ATOM 626 O GLY A 42 -2.983 14.188 2.980 1.00 0.00 O ATOM 0 H GLY A 42 1.133 13.295 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.198 14.314 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.757 15.393 2.383 1.00 0.00 H new ATOM 630 N LEU A 43 -1.911 12.367 2.175 1.00 0.00 N ATOM 631 CA LEU A 43 -3.114 11.556 2.097 1.00 0.00 C ATOM 632 C LEU A 43 -3.577 11.200 3.511 1.00 0.00 C ATOM 633 O LEU A 43 -2.809 11.309 4.465 1.00 0.00 O ATOM 634 CB LEU A 43 -2.882 10.337 1.201 1.00 0.00 C ATOM 635 CG LEU A 43 -2.913 10.598 -0.307 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.277 9.439 -1.077 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.338 10.889 -0.783 1.00 0.00 C ATOM 0 H LEU A 43 -1.059 11.897 1.870 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.922 12.118 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.915 9.903 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.639 9.589 1.436 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.317 11.487 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.312 9.650 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.240 9.320 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.826 8.520 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.333 11.071 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.977 10.034 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.721 11.770 -0.268 1.00 0.00 H new ATOM 649 N ASN A 44 -4.831 10.781 3.601 1.00 0.00 N ATOM 650 CA ASN A 44 -5.405 10.408 4.883 1.00 0.00 C ATOM 651 C ASN A 44 -5.450 8.882 4.992 1.00 0.00 C ATOM 652 O ASN A 44 -5.384 8.182 3.983 1.00 0.00 O ATOM 653 CB ASN A 44 -6.835 10.934 5.020 1.00 0.00 C ATOM 654 CG ASN A 44 -7.082 11.491 6.424 1.00 0.00 C ATOM 655 OD1 ASN A 44 -6.695 12.598 6.757 1.00 0.00 O ATOM 656 ND2 ASN A 44 -7.747 10.663 7.224 1.00 0.00 N ATOM 0 H ASN A 44 -5.465 10.692 2.807 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.785 10.840 5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.012 11.714 4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.543 10.131 4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.962 10.942 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.042 9.749 6.880 1.00 0.00 H new ATOM 663 N GLN A 45 -5.563 8.412 6.226 1.00 0.00 N ATOM 664 CA GLN A 45 -5.619 6.983 6.480 1.00 0.00 C ATOM 665 C GLN A 45 -7.071 6.526 6.628 1.00 0.00 C ATOM 666 O GLN A 45 -7.341 5.491 7.236 1.00 0.00 O ATOM 667 CB GLN A 45 -4.798 6.614 7.717 1.00 0.00 C ATOM 668 CG GLN A 45 -3.330 6.386 7.354 1.00 0.00 C ATOM 669 CD GLN A 45 -2.422 7.369 8.096 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.845 8.416 8.559 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.155 6.976 8.182 1.00 0.00 N ATOM 0 H GLN A 45 -5.617 8.996 7.061 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.182 6.465 5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.873 7.410 8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.207 5.713 8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.045 5.364 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.195 6.502 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.868 6.087 7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.470 7.563 8.658 1.00 0.00 H new ATOM 680 N ASP A 46 -7.969 7.320 6.064 1.00 0.00 N ATOM 681 CA ASP A 46 -9.387 7.010 6.126 1.00 0.00 C ATOM 682 C ASP A 46 -9.983 7.086 4.719 1.00 0.00 C ATOM 683 O ASP A 46 -10.772 6.227 4.328 1.00 0.00 O ATOM 684 CB ASP A 46 -10.132 8.013 7.010 1.00 0.00 C ATOM 685 CG ASP A 46 -11.532 7.576 7.444 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.964 6.502 6.972 1.00 0.00 O ATOM 687 OD2 ASP A 46 -12.140 8.327 8.238 1.00 0.00 O ATOM 0 H ASP A 46 -7.742 8.178 5.562 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.496 6.010 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.534 8.203 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.213 8.958 6.473 1.00 0.00 H new ATOM 692 N CYS A 47 -9.584 8.122 3.996 1.00 0.00 N ATOM 693 CA CYS A 47 -10.069 8.321 2.641 1.00 0.00 C ATOM 694 C CYS A 47 -9.102 7.629 1.679 1.00 0.00 C ATOM 695 O CYS A 47 -9.071 7.946 0.490 1.00 0.00 O ATOM 696 CB CYS A 47 -10.236 9.806 2.313 1.00 0.00 C ATOM 697 SG CYS A 47 -11.691 10.482 3.195 1.00 0.00 S ATOM 0 H CYS A 47 -8.930 8.833 4.323 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.060 7.880 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.339 10.354 2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.358 9.938 1.238 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.823 11.744 2.912 1.00 0.00 H new ATOM 703 N CYS A 48 -8.336 6.697 2.227 1.00 0.00 N ATOM 704 CA CYS A 48 -7.371 5.958 1.432 1.00 0.00 C ATOM 705 C CYS A 48 -7.439 4.485 1.840 1.00 0.00 C ATOM 706 O CYS A 48 -7.710 4.170 2.997 1.00 0.00 O ATOM 707 CB CYS A 48 -5.958 6.527 1.584 1.00 0.00 C ATOM 708 SG CYS A 48 -5.910 8.253 0.978 1.00 0.00 S ATOM 0 H CYS A 48 -8.364 6.437 3.213 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.619 6.053 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.653 6.491 2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.249 5.917 1.025 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.086 8.592 0.540 1.00 0.00 H new ATOM 714 N VAL A 49 -7.190 3.622 0.865 1.00 0.00 N ATOM 715 CA VAL A 49 -7.221 2.190 1.108 1.00 0.00 C ATOM 716 C VAL A 49 -5.975 1.547 0.496 1.00 0.00 C ATOM 717 O VAL A 49 -5.345 2.124 -0.389 1.00 0.00 O ATOM 718 CB VAL A 49 -8.525 1.596 0.573 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.860 2.165 -0.807 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.456 0.068 0.534 1.00 0.00 C ATOM 0 H VAL A 49 -6.966 3.887 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.201 1.983 2.178 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.327 1.878 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.792 1.727 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.971 3.247 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.056 1.927 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.396 -0.329 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.638 -0.243 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.285 -0.314 1.540 1.00 0.00 H new ATOM 730 N VAL A 50 -5.657 0.360 0.992 1.00 0.00 N ATOM 731 CA VAL A 50 -4.497 -0.368 0.504 1.00 0.00 C ATOM 732 C VAL A 50 -4.927 -1.770 0.068 1.00 0.00 C ATOM 733 O VAL A 50 -5.487 -2.526 0.860 1.00 0.00 O ATOM 734 CB VAL A 50 -3.402 -0.384 1.573 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.128 -1.044 1.042 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.116 1.028 2.085 1.00 0.00 C ATOM 0 H VAL A 50 -6.182 -0.116 1.726 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.074 0.129 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.762 -0.978 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.366 -1.043 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.345 -2.071 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.764 -0.489 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.334 0.989 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.787 1.656 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.023 1.448 2.520 1.00 0.00 H new ATOM 746 N TYR A 51 -4.650 -2.074 -1.191 1.00 0.00 N ATOM 747 CA TYR A 51 -5.001 -3.372 -1.743 1.00 0.00 C ATOM 748 C TYR A 51 -3.780 -4.293 -1.797 1.00 0.00 C ATOM 749 O TYR A 51 -2.681 -3.854 -2.130 1.00 0.00 O ATOM 750 CB TYR A 51 -5.488 -3.107 -3.169 1.00 0.00 C ATOM 751 CG TYR A 51 -6.371 -1.865 -3.304 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.366 -1.622 -2.378 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.173 -0.988 -4.350 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.197 -0.453 -2.505 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.005 0.181 -4.477 1.00 0.00 C ATOM 756 CZ TYR A 51 -7.976 0.391 -3.548 1.00 0.00 C ATOM 757 OH TYR A 51 -8.761 1.495 -3.668 1.00 0.00 O ATOM 0 H TYR A 51 -4.186 -1.444 -1.845 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.757 -3.859 -1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.623 -2.998 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.045 -3.976 -3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.521 -2.308 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.394 -1.178 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.979 -0.251 -1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.861 0.875 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.648 1.308 -3.295 1.00 0.00 H new ATOM 767 N ARG A 52 -4.015 -5.554 -1.463 1.00 0.00 N ATOM 768 CA ARG A 52 -2.949 -6.541 -1.469 1.00 0.00 C ATOM 769 C ARG A 52 -3.054 -7.428 -2.711 1.00 0.00 C ATOM 770 O ARG A 52 -4.137 -7.902 -3.050 1.00 0.00 O ATOM 771 CB ARG A 52 -3.004 -7.419 -0.217 1.00 0.00 C ATOM 772 CG ARG A 52 -3.002 -6.565 1.052 1.00 0.00 C ATOM 773 CD ARG A 52 -3.598 -7.336 2.232 1.00 0.00 C ATOM 774 NE ARG A 52 -3.286 -8.777 2.105 1.00 0.00 N ATOM 775 CZ ARG A 52 -3.896 -9.743 2.806 1.00 0.00 C ATOM 776 NH1 ARG A 52 -4.854 -9.427 3.688 1.00 0.00 N ATOM 777 NH2 ARG A 52 -3.547 -11.024 2.625 1.00 0.00 N ATOM 0 H ARG A 52 -4.928 -5.914 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.000 -6.004 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.901 -8.038 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.150 -8.096 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.982 -6.262 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.575 -5.653 0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.197 -6.950 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.678 -7.191 2.264 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.561 -9.052 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.119 -8.452 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.318 -10.162 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.817 -11.264 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.011 -11.759 3.158 1.00 0.00 H new ATOM 791 N LEU A 53 -1.913 -7.625 -3.356 1.00 0.00 N ATOM 792 CA LEU A 53 -1.863 -8.446 -4.554 1.00 0.00 C ATOM 793 C LEU A 53 -1.909 -9.923 -4.156 1.00 0.00 C ATOM 794 O LEU A 53 -0.909 -10.480 -3.706 1.00 0.00 O ATOM 795 CB LEU A 53 -0.647 -8.077 -5.406 1.00 0.00 C ATOM 796 CG LEU A 53 -0.906 -7.102 -6.556 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.430 -7.837 -7.791 1.00 0.00 C ATOM 798 CD2 LEU A 53 -1.844 -5.975 -6.119 1.00 0.00 C ATOM 0 H LEU A 53 -1.017 -7.230 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.733 -8.257 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.112 -7.645 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.227 -8.993 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 53 0.042 -6.642 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.606 -7.121 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.694 -8.573 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.364 -8.342 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.011 -5.296 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.796 -6.398 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.394 -5.427 -5.291 1.00 0.00 H new ATOM 810 N ILE A 54 -3.081 -10.515 -4.337 1.00 0.00 N ATOM 811 CA ILE A 54 -3.271 -11.916 -4.002 1.00 0.00 C ATOM 812 C ILE A 54 -3.836 -12.654 -5.218 1.00 0.00 C ATOM 813 O ILE A 54 -5.049 -12.688 -5.419 1.00 0.00 O ATOM 814 CB ILE A 54 -4.130 -12.055 -2.744 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.350 -11.634 -1.498 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.691 -13.473 -2.617 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.940 -10.362 -0.885 1.00 0.00 C ATOM 0 H ILE A 54 -3.908 -10.050 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.316 -12.383 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.980 -11.379 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.370 -12.439 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.305 -11.466 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.298 -13.545 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.307 -13.700 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.868 -14.186 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.367 -10.085 -0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.897 -9.553 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.978 -10.541 -0.603 1.00 0.00 H new ATOM 829 N LYS A 55 -2.930 -13.226 -5.996 1.00 0.00 N ATOM 830 CA LYS A 55 -3.323 -13.961 -7.187 1.00 0.00 C ATOM 831 C LYS A 55 -3.830 -12.978 -8.244 1.00 0.00 C ATOM 832 O LYS A 55 -4.601 -13.353 -9.126 1.00 0.00 O ATOM 833 CB LYS A 55 -4.331 -15.057 -6.832 1.00 0.00 C ATOM 834 CG LYS A 55 -3.646 -16.421 -6.735 1.00 0.00 C ATOM 835 CD LYS A 55 -4.182 -17.220 -5.545 1.00 0.00 C ATOM 836 CE LYS A 55 -3.049 -17.618 -4.596 1.00 0.00 C ATOM 837 NZ LYS A 55 -2.721 -19.052 -4.753 1.00 0.00 N ATOM 0 H LYS A 55 -1.925 -13.196 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.464 -14.477 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.813 -14.820 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.116 -15.093 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.809 -16.980 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.570 -16.285 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.920 -16.626 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.692 -18.114 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.166 -17.012 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.342 -17.417 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.951 -19.305 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.561 -19.626 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.421 -19.234 -5.732 1.00 0.00 H new ATOM 851 N GLY A 56 -3.376 -11.740 -8.120 1.00 0.00 N ATOM 852 CA GLY A 56 -3.774 -10.700 -9.054 1.00 0.00 C ATOM 853 C GLY A 56 -5.157 -10.147 -8.701 1.00 0.00 C ATOM 854 O GLY A 56 -5.943 -9.819 -9.589 1.00 0.00 O ATOM 0 H GLY A 56 -2.736 -11.433 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.041 -9.893 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.786 -11.101 -10.067 1.00 0.00 H new ATOM 858 N ARG A 57 -5.411 -10.059 -7.404 1.00 0.00 N ATOM 859 CA ARG A 57 -6.685 -9.551 -6.924 1.00 0.00 C ATOM 860 C ARG A 57 -6.463 -8.563 -5.777 1.00 0.00 C ATOM 861 O ARG A 57 -6.019 -8.949 -4.697 1.00 0.00 O ATOM 862 CB ARG A 57 -7.585 -10.690 -6.440 1.00 0.00 C ATOM 863 CG ARG A 57 -8.291 -11.368 -7.616 1.00 0.00 C ATOM 864 CD ARG A 57 -9.441 -10.504 -8.137 1.00 0.00 C ATOM 865 NE ARG A 57 -10.734 -11.037 -7.653 1.00 0.00 N ATOM 866 CZ ARG A 57 -11.921 -10.464 -7.897 1.00 0.00 C ATOM 867 NH1 ARG A 57 -11.985 -9.338 -8.621 1.00 0.00 N ATOM 868 NH2 ARG A 57 -13.043 -11.018 -7.418 1.00 0.00 N ATOM 0 H ARG A 57 -4.756 -10.331 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.175 -9.044 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.989 -11.424 -5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.326 -10.301 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.576 -11.550 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.674 -12.340 -7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.314 -9.475 -7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.430 -10.488 -9.227 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.721 -11.894 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.131 -8.917 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.888 -8.902 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.994 -11.875 -6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.946 -10.582 -7.603 1.00 0.00 H new ATOM 882 N LYS A 58 -6.783 -7.307 -6.050 1.00 0.00 N ATOM 883 CA LYS A 58 -6.624 -6.260 -5.055 1.00 0.00 C ATOM 884 C LYS A 58 -7.428 -6.625 -3.806 1.00 0.00 C ATOM 885 O LYS A 58 -8.655 -6.536 -3.804 1.00 0.00 O ATOM 886 CB LYS A 58 -6.992 -4.898 -5.647 1.00 0.00 C ATOM 887 CG LYS A 58 -5.758 -4.198 -6.219 1.00 0.00 C ATOM 888 CD LYS A 58 -5.652 -4.419 -7.729 1.00 0.00 C ATOM 889 CE LYS A 58 -5.867 -3.110 -8.491 1.00 0.00 C ATOM 890 NZ LYS A 58 -5.914 -3.361 -9.949 1.00 0.00 N ATOM 0 H LYS A 58 -7.152 -6.990 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.580 -6.178 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.737 -5.028 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.445 -4.273 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.811 -3.130 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.861 -4.576 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.672 -4.829 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.392 -5.154 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.796 -2.642 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.061 -2.412 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.060 -2.462 -10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.017 -3.788 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.698 -4.010 -10.164 1.00 0.00 H new ATOM 904 N THR A 59 -6.704 -7.029 -2.772 1.00 0.00 N ATOM 905 CA THR A 59 -7.335 -7.407 -1.519 1.00 0.00 C ATOM 906 C THR A 59 -7.121 -6.320 -0.464 1.00 0.00 C ATOM 907 O THR A 59 -6.058 -6.248 0.152 1.00 0.00 O ATOM 908 CB THR A 59 -6.782 -8.773 -1.105 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.313 -9.671 -2.076 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.371 -9.266 0.219 1.00 0.00 C ATOM 0 H THR A 59 -5.687 -7.103 -2.777 1.00 0.00 H new ATOM 0 HA THR A 59 -8.415 -7.497 -1.632 1.00 0.00 H new ATOM 0 HB THR A 59 -5.697 -8.715 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.875 -9.517 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.946 -10.239 0.467 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.134 -8.554 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.453 -9.357 0.124 1.00 0.00 H new ATOM 918 N VAL A 60 -8.147 -5.501 -0.288 1.00 0.00 N ATOM 919 CA VAL A 60 -8.084 -4.420 0.682 1.00 0.00 C ATOM 920 C VAL A 60 -7.364 -4.911 1.940 1.00 0.00 C ATOM 921 O VAL A 60 -7.364 -6.106 2.233 1.00 0.00 O ATOM 922 CB VAL A 60 -9.491 -3.891 0.967 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.491 -2.962 2.183 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.071 -3.186 -0.261 1.00 0.00 C ATOM 0 H VAL A 60 -9.027 -5.564 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.510 -3.583 0.285 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.130 -4.744 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.503 -2.600 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.139 -3.508 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.831 -2.115 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.072 -2.820 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.431 -2.347 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.124 -3.889 -1.093 1.00 0.00 H new ATOM 934 N THR A 61 -6.768 -3.964 2.649 1.00 0.00 N ATOM 935 CA THR A 61 -6.046 -4.285 3.868 1.00 0.00 C ATOM 936 C THR A 61 -6.384 -3.277 4.969 1.00 0.00 C ATOM 937 O THR A 61 -6.699 -2.123 4.684 1.00 0.00 O ATOM 938 CB THR A 61 -4.554 -4.342 3.533 1.00 0.00 C ATOM 939 OG1 THR A 61 -4.024 -5.276 4.470 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.830 -3.034 3.861 1.00 0.00 C ATOM 0 H THR A 61 -6.770 -2.974 2.403 1.00 0.00 H new ATOM 0 HA THR A 61 -6.343 -5.258 4.259 1.00 0.00 H new ATOM 0 HB THR A 61 -4.428 -4.571 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.056 -5.147 4.548 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.775 -3.128 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.272 -2.220 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.927 -2.822 4.926 1.00 0.00 H new ATOM 948 N ALA A 62 -6.306 -3.750 6.204 1.00 0.00 N ATOM 949 CA ALA A 62 -6.599 -2.905 7.349 1.00 0.00 C ATOM 950 C ALA A 62 -5.385 -2.026 7.653 1.00 0.00 C ATOM 951 O ALA A 62 -4.276 -2.316 7.205 1.00 0.00 O ATOM 952 CB ALA A 62 -7.000 -3.779 8.540 1.00 0.00 C ATOM 0 H ALA A 62 -6.044 -4.708 6.437 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.438 -2.244 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.220 -3.145 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.885 -4.361 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.181 -4.454 8.788 1.00 0.00 H new ATOM 958 N TRP A 63 -5.634 -0.970 8.413 1.00 0.00 N ATOM 959 CA TRP A 63 -4.574 -0.047 8.783 1.00 0.00 C ATOM 960 C TRP A 63 -3.946 -0.545 10.086 1.00 0.00 C ATOM 961 O TRP A 63 -2.735 -0.446 10.272 1.00 0.00 O ATOM 962 CB TRP A 63 -5.105 1.385 8.883 1.00 0.00 C ATOM 963 CG TRP A 63 -5.545 1.981 7.545 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.791 2.252 7.132 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.686 2.373 6.454 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.798 2.786 5.860 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.477 2.862 5.434 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.286 2.315 6.332 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.960 3.332 4.221 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.785 2.788 5.113 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.568 3.284 4.077 1.00 0.00 C ATOM 0 H TRP A 63 -6.554 -0.733 8.783 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.802 -0.018 8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.950 1.401 9.571 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.331 2.019 9.314 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.678 2.075 7.721 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.621 3.072 5.330 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.648 1.936 7.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.600 3.711 3.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.715 2.766 4.967 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.105 3.631 3.165 1.00 0.00 H new ATOM 982 N ASP A 64 -4.799 -1.068 10.954 1.00 0.00 N ATOM 983 CA ASP A 64 -4.343 -1.582 12.234 1.00 0.00 C ATOM 984 C ASP A 64 -3.507 -2.842 12.005 1.00 0.00 C ATOM 985 O ASP A 64 -2.569 -3.114 12.753 1.00 0.00 O ATOM 986 CB ASP A 64 -5.525 -1.956 13.130 1.00 0.00 C ATOM 987 CG ASP A 64 -6.574 -0.856 13.311 1.00 0.00 C ATOM 988 OD1 ASP A 64 -6.210 0.182 13.903 1.00 0.00 O ATOM 989 OD2 ASP A 64 -7.715 -1.079 12.852 1.00 0.00 O ATOM 0 H ASP A 64 -5.804 -1.147 10.796 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.755 -0.803 12.719 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.013 -2.837 12.713 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.143 -2.238 14.111 1.00 0.00 H new ATOM 994 N THR A 65 -3.876 -3.578 10.966 1.00 0.00 N ATOM 995 CA THR A 65 -3.171 -4.803 10.628 1.00 0.00 C ATOM 996 C THR A 65 -1.658 -4.576 10.668 1.00 0.00 C ATOM 997 O THR A 65 -1.200 -3.442 10.796 1.00 0.00 O ATOM 998 CB THR A 65 -3.679 -5.280 9.266 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.999 -5.747 9.532 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.938 -6.522 8.768 1.00 0.00 C ATOM 0 H THR A 65 -4.654 -3.349 10.347 1.00 0.00 H new ATOM 0 HA THR A 65 -3.369 -5.588 11.358 1.00 0.00 H new ATOM 0 HB THR A 65 -3.573 -4.477 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.284 -6.349 8.813 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.337 -6.819 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.876 -6.297 8.670 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.073 -7.336 9.480 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.925 -5.674 10.556 1.00 0.00 N ATOM 1009 CA ALA A 66 0.527 -5.609 10.577 1.00 0.00 C ATOM 1010 C ALA A 66 1.058 -5.692 9.145 1.00 0.00 C ATOM 1011 O ALA A 66 0.335 -6.092 8.233 1.00 0.00 O ATOM 1012 CB ALA A 66 1.075 -6.726 11.468 1.00 0.00 C ATOM 0 H ALA A 66 -1.309 -6.613 10.450 1.00 0.00 H new ATOM 0 HA ALA A 66 0.863 -4.661 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.164 -6.678 11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.691 -6.605 12.481 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.761 -7.693 11.074 1.00 0.00 H new ATOM 1018 N ILE A 67 2.316 -5.307 8.991 1.00 0.00 N ATOM 1019 CA ILE A 67 2.952 -5.333 7.685 1.00 0.00 C ATOM 1020 C ILE A 67 3.903 -6.529 7.609 1.00 0.00 C ATOM 1021 O ILE A 67 4.685 -6.646 6.666 1.00 0.00 O ATOM 1022 CB ILE A 67 3.627 -3.992 7.391 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.036 -3.894 5.920 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.811 -3.756 8.332 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.071 -2.999 5.141 1.00 0.00 C ATOM 0 H ILE A 67 2.912 -4.975 9.749 1.00 0.00 H new ATOM 0 HA ILE A 67 2.206 -5.467 6.901 1.00 0.00 H new ATOM 0 HB ILE A 67 2.904 -3.198 7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.048 -3.495 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.053 -4.890 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.273 -2.796 8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.460 -3.752 9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.544 -4.552 8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.385 -2.946 4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.065 -3.414 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.075 -1.998 5.572 1.00 0.00 H new ATOM 1037 N ALA A 68 3.804 -7.388 8.613 1.00 0.00 N ATOM 1038 CA ALA A 68 4.645 -8.571 8.672 1.00 0.00 C ATOM 1039 C ALA A 68 4.219 -9.549 7.574 1.00 0.00 C ATOM 1040 O ALA A 68 5.038 -9.961 6.754 1.00 0.00 O ATOM 1041 CB ALA A 68 4.560 -9.189 10.069 1.00 0.00 C ATOM 0 H ALA A 68 3.154 -7.288 9.392 1.00 0.00 H new ATOM 0 HA ALA A 68 5.688 -8.310 8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.191 -10.077 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.901 -8.464 10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.528 -9.467 10.282 1.00 0.00 H new ATOM 1047 N PRO A 69 2.906 -9.900 7.596 1.00 0.00 N ATOM 1048 CA PRO A 69 2.362 -10.822 6.613 1.00 0.00 C ATOM 1049 C PRO A 69 2.192 -10.138 5.254 1.00 0.00 C ATOM 1050 O PRO A 69 1.102 -10.140 4.686 1.00 0.00 O ATOM 1051 CB PRO A 69 1.046 -11.298 7.206 1.00 0.00 C ATOM 1052 CG PRO A 69 0.678 -10.281 8.274 1.00 0.00 C ATOM 1053 CD PRO A 69 1.907 -9.432 8.552 1.00 0.00 C ATOM 0 HA PRO A 69 3.024 -11.666 6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.272 -11.358 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.149 -12.295 7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.149 -9.656 7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.348 -10.784 9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.695 -8.372 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.252 -9.558 9.578 1.00 0.00 H new ATOM 1061 N LEU A 70 3.288 -9.569 4.774 1.00 0.00 N ATOM 1062 CA LEU A 70 3.275 -8.882 3.493 1.00 0.00 C ATOM 1063 C LEU A 70 4.610 -9.112 2.783 1.00 0.00 C ATOM 1064 O LEU A 70 5.012 -8.315 1.936 1.00 0.00 O ATOM 1065 CB LEU A 70 2.924 -7.405 3.681 1.00 0.00 C ATOM 1066 CG LEU A 70 1.449 -7.094 3.945 1.00 0.00 C ATOM 1067 CD1 LEU A 70 0.551 -7.787 2.919 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.062 -7.454 5.381 1.00 0.00 C ATOM 0 H LEU A 70 4.191 -9.569 5.249 1.00 0.00 H new ATOM 0 HA LEU A 70 2.497 -9.291 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.511 -7.016 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.235 -6.862 2.789 1.00 0.00 H new ATOM 0 HG LEU A 70 1.300 -6.020 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.492 -7.550 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.807 -7.440 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.697 -8.866 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.009 -7.223 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.230 -8.518 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.671 -6.877 6.077 1.00 0.00 H new ATOM 1080 N ASP A 71 5.261 -10.205 3.153 1.00 0.00 N ATOM 1081 CA ASP A 71 6.543 -10.549 2.561 1.00 0.00 C ATOM 1082 C ASP A 71 6.324 -11.030 1.126 1.00 0.00 C ATOM 1083 O ASP A 71 5.577 -11.979 0.892 1.00 0.00 O ATOM 1084 CB ASP A 71 7.223 -11.677 3.340 1.00 0.00 C ATOM 1085 CG ASP A 71 8.297 -12.442 2.563 1.00 0.00 C ATOM 1086 OD1 ASP A 71 7.910 -13.158 1.614 1.00 0.00 O ATOM 1087 OD2 ASP A 71 9.481 -12.294 2.936 1.00 0.00 O ATOM 0 H ASP A 71 4.925 -10.864 3.855 1.00 0.00 H new ATOM 0 HA ASP A 71 7.176 -9.662 2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.675 -11.257 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.460 -12.383 3.668 1.00 0.00 H new ATOM 1092 N GLY A 72 6.990 -10.354 0.201 1.00 0.00 N ATOM 1093 CA GLY A 72 6.877 -10.700 -1.206 1.00 0.00 C ATOM 1094 C GLY A 72 5.460 -10.444 -1.722 1.00 0.00 C ATOM 1095 O GLY A 72 4.680 -11.379 -1.895 1.00 0.00 O ATOM 0 H GLY A 72 7.610 -9.568 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.590 -10.115 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.135 -11.749 -1.348 1.00 0.00 H new ATOM 1099 N GLU A 73 5.170 -9.172 -1.954 1.00 0.00 N ATOM 1100 CA GLU A 73 3.860 -8.781 -2.447 1.00 0.00 C ATOM 1101 C GLU A 73 3.897 -7.344 -2.969 1.00 0.00 C ATOM 1102 O GLU A 73 4.971 -6.770 -3.143 1.00 0.00 O ATOM 1103 CB GLU A 73 2.795 -8.943 -1.361 1.00 0.00 C ATOM 1104 CG GLU A 73 3.021 -7.952 -0.218 1.00 0.00 C ATOM 1105 CD GLU A 73 2.351 -6.609 -0.516 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.255 -6.642 -1.116 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.951 -5.579 -0.138 1.00 0.00 O ATOM 0 H GLU A 73 5.820 -8.399 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 73 3.592 -9.440 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.806 -8.788 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.818 -9.962 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.622 -8.364 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.090 -7.803 -0.067 1.00 0.00 H new ATOM 1114 N GLU A 74 2.711 -6.803 -3.204 1.00 0.00 N ATOM 1115 CA GLU A 74 2.593 -5.443 -3.702 1.00 0.00 C ATOM 1116 C GLU A 74 1.291 -4.808 -3.212 1.00 0.00 C ATOM 1117 O GLU A 74 0.203 -5.276 -3.546 1.00 0.00 O ATOM 1118 CB GLU A 74 2.678 -5.410 -5.229 1.00 0.00 C ATOM 1119 CG GLU A 74 4.112 -5.141 -5.693 1.00 0.00 C ATOM 1120 CD GLU A 74 4.338 -5.674 -7.110 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.674 -6.873 -7.218 1.00 0.00 O ATOM 1122 OE2 GLU A 74 4.171 -4.869 -8.052 1.00 0.00 O ATOM 0 H GLU A 74 1.822 -7.282 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 74 3.427 -4.860 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.332 -6.360 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.015 -4.637 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.312 -4.070 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.815 -5.613 -5.006 1.00 0.00 H new ATOM 1129 N LEU A 75 1.444 -3.752 -2.426 1.00 0.00 N ATOM 1130 CA LEU A 75 0.293 -3.048 -1.886 1.00 0.00 C ATOM 1131 C LEU A 75 -0.033 -1.850 -2.781 1.00 0.00 C ATOM 1132 O LEU A 75 0.868 -1.140 -3.227 1.00 0.00 O ATOM 1133 CB LEU A 75 0.532 -2.674 -0.422 1.00 0.00 C ATOM 1134 CG LEU A 75 0.618 -3.842 0.563 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.689 -3.586 1.625 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.748 -4.137 1.185 1.00 0.00 C ATOM 0 H LEU A 75 2.347 -3.367 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.584 -3.695 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.459 -2.103 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.272 -2.012 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 75 0.919 -4.733 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.729 -4.431 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.659 -3.464 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.443 -2.680 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.658 -4.971 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.103 -3.255 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.458 -4.395 0.399 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.323 -1.662 -3.017 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.779 -0.563 -3.851 1.00 0.00 C ATOM 1150 C ILE A 76 -2.574 0.425 -2.995 1.00 0.00 C ATOM 1151 O ILE A 76 -3.644 0.091 -2.489 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.554 -1.092 -5.059 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.611 -1.742 -6.074 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.404 0.012 -5.692 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.393 -2.559 -7.104 1.00 0.00 C ATOM 0 H ILE A 76 -2.067 -2.252 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.929 -0.018 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.238 -1.867 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.030 -0.972 -6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.902 -2.387 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.945 -0.391 -6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.116 0.389 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.757 0.826 -6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.699 -3.010 -7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.954 -3.344 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.084 -1.906 -7.637 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.020 1.621 -2.859 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.664 2.659 -2.073 1.00 0.00 C ATOM 1169 C VAL A 77 -3.541 3.516 -2.988 1.00 0.00 C ATOM 1170 O VAL A 77 -3.063 4.053 -3.987 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.612 3.474 -1.319 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.267 4.562 -0.467 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.725 2.567 -0.464 1.00 0.00 C ATOM 0 H VAL A 77 -1.132 1.894 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.315 2.217 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.977 3.965 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.496 5.126 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.835 5.235 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.937 4.102 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.014 3.172 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.341 2.035 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.216 1.847 -1.105 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.809 3.617 -2.616 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.756 4.399 -3.391 1.00 0.00 C ATOM 1185 C GLU A 78 -6.577 5.304 -2.470 1.00 0.00 C ATOM 1186 O GLU A 78 -6.523 5.165 -1.249 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.666 3.493 -4.222 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.284 3.541 -5.703 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.420 4.129 -6.543 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.672 5.343 -6.385 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -8.010 3.351 -7.323 1.00 0.00 O ATOM 0 H GLU A 78 -5.202 3.170 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.196 5.029 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.595 2.468 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.704 3.804 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.384 4.142 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.049 2.536 -6.055 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.319 6.210 -3.090 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.150 7.137 -2.341 1.00 0.00 C ATOM 1200 C VAL A 79 -9.614 6.706 -2.451 1.00 0.00 C ATOM 1201 O VAL A 79 -10.093 6.397 -3.541 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.909 8.567 -2.828 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -8.976 9.519 -2.283 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.505 9.045 -2.454 1.00 0.00 C ATOM 0 H VAL A 79 -7.362 6.322 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.885 7.119 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.984 8.567 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.781 10.529 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.960 9.196 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.948 9.512 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.360 10.064 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.389 9.021 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.764 8.391 -2.913 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.283 6.700 -1.307 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.682 6.312 -1.262 1.00 0.00 C ATOM 1216 C LEU A 80 -12.497 7.250 -2.154 1.00 0.00 C ATOM 1217 O LEU A 80 -12.650 8.431 -1.844 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.176 6.257 0.185 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.794 5.006 0.978 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -12.328 5.079 2.410 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.256 3.738 0.257 1.00 0.00 C ATOM 0 H LEU A 80 -9.882 6.958 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.810 5.304 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.790 7.129 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.263 6.342 0.180 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.707 4.962 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.042 4.177 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.908 5.951 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.415 5.161 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.972 2.863 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.339 3.760 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.786 3.686 -0.725 1.00 0.00 H new