USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 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 54 SER OG : rot 142:sc= 0.149 USER MOD Set 1.2: A 65 GLN : amide:sc= 0.147 X(o=0.3,f=-0.086) USER MOD Set 2.1: A 30 CYS SG : rot 130:sc= 1.69 USER MOD Set 2.2: A 62 CYS SG : rot 129:sc= -1.81 USER MOD Single : A 9 SER OG : rot 33:sc= 0.163 USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.123) USER MOD Single : A 17 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.33) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00264 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00357 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= 0.41 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -133:sc= 0.215 USER MOD Single : A 53 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 57 GLN : amide:sc= -3.49! C(o=-3.5!,f=-7.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -59:sc= -1.79! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 103:sc= 2.52 USER MOD Single : A 81 CYS SG : rot 150:sc= -0.797 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot -130:sc= -0.0523 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 9 -2.472 20.203 -0.301 1.00 0.00 N ATOM 81 CA SER A 9 -1.573 19.247 0.337 1.00 0.00 C ATOM 82 C SER A 9 -0.791 18.457 -0.708 1.00 0.00 C ATOM 83 O SER A 9 -1.345 17.605 -1.403 1.00 0.00 O ATOM 84 CB SER A 9 -2.364 18.290 1.230 1.00 0.00 C ATOM 85 OG SER A 9 -3.195 17.441 0.458 1.00 0.00 O ATOM 0 HA SER A 9 -0.865 19.804 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.675 17.688 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.973 18.861 1.931 1.00 0.00 H new ATOM 0 HG SER A 9 -2.764 17.255 -0.402 1.00 0.00 H new ATOM 91 N LYS A 10 0.502 18.747 -0.813 1.00 0.00 N ATOM 92 CA LYS A 10 1.364 18.064 -1.771 1.00 0.00 C ATOM 93 C LYS A 10 1.991 16.821 -1.149 1.00 0.00 C ATOM 94 O LYS A 10 2.458 16.853 -0.010 1.00 0.00 O ATOM 95 CB LYS A 10 2.461 19.009 -2.265 1.00 0.00 C ATOM 96 CG LYS A 10 2.011 19.930 -3.387 1.00 0.00 C ATOM 97 CD LYS A 10 1.131 21.054 -2.866 1.00 0.00 C ATOM 98 CE LYS A 10 1.962 22.202 -2.313 1.00 0.00 C ATOM 99 NZ LYS A 10 2.615 22.987 -3.398 1.00 0.00 N ATOM 0 H LYS A 10 0.976 19.450 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 10 0.751 17.755 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.812 19.614 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.310 18.418 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.884 20.351 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.464 19.355 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.492 21.420 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.473 20.671 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.325 22.860 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.724 21.808 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.955 23.892 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.418 22.449 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.928 23.169 -4.157 1.00 0.00 H new ATOM 113 N PHE A 11 2.002 15.727 -1.904 1.00 0.00 N ATOM 114 CA PHE A 11 2.573 14.474 -1.426 1.00 0.00 C ATOM 115 C PHE A 11 4.097 14.509 -1.496 1.00 0.00 C ATOM 116 O PHE A 11 4.674 14.788 -2.547 1.00 0.00 O ATOM 117 CB PHE A 11 2.041 13.299 -2.250 1.00 0.00 C ATOM 118 CG PHE A 11 0.607 12.962 -1.956 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.259 12.326 -0.776 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.393 13.282 -2.861 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.060 12.014 -0.503 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.713 12.974 -2.593 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.047 12.338 -1.413 1.00 0.00 C ATOM 0 H PHE A 11 1.622 15.683 -2.849 1.00 0.00 H new ATOM 0 HA PHE A 11 2.277 14.343 -0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.141 13.534 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.659 12.422 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.027 12.071 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.138 13.778 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.318 11.518 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.483 13.230 -3.306 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.078 12.095 -1.203 1.00 0.00 H new ATOM 133 N ILE A 12 4.741 14.226 -0.369 1.00 0.00 N ATOM 134 CA ILE A 12 6.197 14.224 -0.302 1.00 0.00 C ATOM 135 C ILE A 12 6.762 12.848 -0.638 1.00 0.00 C ATOM 136 O ILE A 12 7.644 12.720 -1.486 1.00 0.00 O ATOM 137 CB ILE A 12 6.697 14.645 1.093 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.697 15.597 1.751 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.068 15.296 0.990 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.304 16.764 0.872 1.00 0.00 C ATOM 0 H ILE A 12 4.278 13.995 0.510 1.00 0.00 H new ATOM 0 HA ILE A 12 6.547 14.947 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 12 6.785 13.754 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.801 15.039 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.127 15.979 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.408 15.588 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.775 14.588 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.005 16.179 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.593 17.397 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.191 17.346 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.844 16.391 -0.043 1.00 0.00 H new ATOM 152 N GLU A 13 6.245 11.823 0.031 1.00 0.00 N ATOM 153 CA GLU A 13 6.698 10.456 -0.198 1.00 0.00 C ATOM 154 C GLU A 13 5.609 9.629 -0.876 1.00 0.00 C ATOM 155 O GLU A 13 5.263 8.542 -0.416 1.00 0.00 O ATOM 156 CB GLU A 13 7.103 9.800 1.124 1.00 0.00 C ATOM 157 CG GLU A 13 8.186 8.746 0.974 1.00 0.00 C ATOM 158 CD GLU A 13 9.330 9.206 0.092 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.214 9.931 0.596 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.342 8.841 -1.102 1.00 0.00 O ATOM 0 H GLU A 13 5.513 11.913 0.735 1.00 0.00 H new ATOM 0 HA GLU A 13 7.566 10.494 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.451 10.571 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.223 9.343 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.574 8.486 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.750 7.840 0.554 1.00 0.00 H new ATOM 167 N GLY A 14 5.073 10.153 -1.974 1.00 0.00 N ATOM 168 CA GLY A 14 4.029 9.452 -2.698 1.00 0.00 C ATOM 169 C GLY A 14 4.203 7.947 -2.652 1.00 0.00 C ATOM 170 O GLY A 14 5.299 7.434 -2.882 1.00 0.00 O ATOM 0 H GLY A 14 5.343 11.051 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.059 9.716 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.026 9.783 -3.737 1.00 0.00 H new ATOM 174 N LEU A 15 3.121 7.236 -2.353 1.00 0.00 N ATOM 175 CA LEU A 15 3.159 5.780 -2.276 1.00 0.00 C ATOM 176 C LEU A 15 4.064 5.201 -3.359 1.00 0.00 C ATOM 177 O LEU A 15 4.024 5.632 -4.511 1.00 0.00 O ATOM 178 CB LEU A 15 1.748 5.206 -2.414 1.00 0.00 C ATOM 179 CG LEU A 15 0.713 5.722 -1.414 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.690 5.606 -1.991 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.815 4.962 -0.100 1.00 0.00 C ATOM 0 H LEU A 15 2.207 7.644 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 15 3.564 5.502 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.388 5.418 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.807 4.122 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 15 0.918 6.774 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.414 5.978 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.757 6.195 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.906 4.562 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.071 5.343 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.636 3.902 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.811 5.096 0.322 1.00 0.00 H new ATOM 193 N ARG A 16 4.878 4.221 -2.981 1.00 0.00 N ATOM 194 CA ARG A 16 5.792 3.582 -3.919 1.00 0.00 C ATOM 195 C ARG A 16 5.426 2.114 -4.121 1.00 0.00 C ATOM 196 O ARG A 16 4.773 1.505 -3.275 1.00 0.00 O ATOM 197 CB ARG A 16 7.233 3.695 -3.418 1.00 0.00 C ATOM 198 CG ARG A 16 7.474 2.991 -2.092 1.00 0.00 C ATOM 199 CD ARG A 16 8.958 2.798 -1.826 1.00 0.00 C ATOM 200 NE ARG A 16 9.199 1.973 -0.645 1.00 0.00 N ATOM 201 CZ ARG A 16 9.144 0.646 -0.651 1.00 0.00 C ATOM 202 NH1 ARG A 16 8.857 -0.004 -1.771 1.00 0.00 N ATOM 203 NH2 ARG A 16 9.375 -0.035 0.464 1.00 0.00 N ATOM 0 H ARG A 16 4.923 3.852 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 16 5.706 4.095 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.904 3.277 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.490 4.749 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.031 3.573 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.975 2.022 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.425 2.333 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.432 3.770 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 16 9.422 2.442 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.678 0.515 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.815 -1.023 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.595 0.461 1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.332 -1.054 0.457 1.00 0.00 H new ATOM 217 N ASN A 17 5.852 1.553 -5.248 1.00 0.00 N ATOM 218 CA ASN A 17 5.568 0.158 -5.562 1.00 0.00 C ATOM 219 C ASN A 17 5.694 -0.716 -4.318 1.00 0.00 C ATOM 220 O ASN A 17 6.799 -1.000 -3.857 1.00 0.00 O ATOM 221 CB ASN A 17 6.518 -0.346 -6.651 1.00 0.00 C ATOM 222 CG ASN A 17 6.003 -0.054 -8.047 1.00 0.00 C ATOM 223 OD1 ASN A 17 4.843 -0.319 -8.361 1.00 0.00 O ATOM 224 ND2 ASN A 17 6.867 0.494 -8.894 1.00 0.00 N ATOM 0 H ASN A 17 6.395 2.043 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 17 4.543 0.096 -5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.495 0.121 -6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.660 -1.421 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.578 0.712 -9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.820 0.697 -8.591 1.00 0.00 H new ATOM 231 N GLU A 18 4.554 -1.140 -3.781 1.00 0.00 N ATOM 232 CA GLU A 18 4.538 -1.981 -2.590 1.00 0.00 C ATOM 233 C GLU A 18 4.159 -3.416 -2.943 1.00 0.00 C ATOM 234 O GLU A 18 3.305 -3.651 -3.797 1.00 0.00 O ATOM 235 CB GLU A 18 3.557 -1.422 -1.557 1.00 0.00 C ATOM 236 CG GLU A 18 3.364 -2.325 -0.350 1.00 0.00 C ATOM 237 CD GLU A 18 4.497 -2.211 0.651 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.632 -2.604 0.309 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.249 -1.729 1.776 1.00 0.00 O ATOM 0 H GLU A 18 3.631 -0.915 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 18 5.541 -1.983 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.914 -0.449 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.592 -1.259 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.424 -2.073 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.282 -3.359 -0.684 1.00 0.00 H new ATOM 246 N GLU A 19 4.801 -4.372 -2.279 1.00 0.00 N ATOM 247 CA GLU A 19 4.532 -5.784 -2.524 1.00 0.00 C ATOM 248 C GLU A 19 4.351 -6.540 -1.210 1.00 0.00 C ATOM 249 O GLU A 19 5.233 -6.533 -0.352 1.00 0.00 O ATOM 250 CB GLU A 19 5.671 -6.410 -3.332 1.00 0.00 C ATOM 251 CG GLU A 19 5.601 -7.926 -3.408 1.00 0.00 C ATOM 252 CD GLU A 19 6.760 -8.525 -4.181 1.00 0.00 C ATOM 253 OE1 GLU A 19 7.912 -8.108 -3.943 1.00 0.00 O ATOM 254 OE2 GLU A 19 6.513 -9.413 -5.025 1.00 0.00 O ATOM 0 H GLU A 19 5.510 -4.195 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 19 3.607 -5.857 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.655 -6.003 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.623 -6.120 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.592 -8.337 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.664 -8.220 -3.880 1.00 0.00 H new ATOM 261 N ALA A 20 3.201 -7.189 -1.061 1.00 0.00 N ATOM 262 CA ALA A 20 2.904 -7.949 0.146 1.00 0.00 C ATOM 263 C ALA A 20 2.592 -9.405 -0.185 1.00 0.00 C ATOM 264 O ALA A 20 2.520 -9.785 -1.354 1.00 0.00 O ATOM 265 CB ALA A 20 1.742 -7.316 0.896 1.00 0.00 C ATOM 0 H ALA A 20 2.460 -7.203 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 20 3.787 -7.930 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.531 -7.894 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.002 -6.295 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.859 -7.305 0.257 1.00 0.00 H new ATOM 271 N THR A 21 2.408 -10.217 0.851 1.00 0.00 N ATOM 272 CA THR A 21 2.105 -11.631 0.670 1.00 0.00 C ATOM 273 C THR A 21 0.651 -11.930 1.014 1.00 0.00 C ATOM 274 O THR A 21 0.197 -11.655 2.124 1.00 0.00 O ATOM 275 CB THR A 21 3.019 -12.516 1.538 1.00 0.00 C ATOM 276 OG1 THR A 21 4.393 -12.227 1.257 1.00 0.00 O ATOM 277 CG2 THR A 21 2.743 -13.991 1.285 1.00 0.00 C ATOM 0 H THR A 21 2.464 -9.919 1.825 1.00 0.00 H new ATOM 0 HA THR A 21 2.281 -11.860 -0.381 1.00 0.00 H new ATOM 0 HB THR A 21 2.810 -12.298 2.585 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.967 -12.793 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.400 -14.596 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.704 -14.214 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.926 -14.221 0.235 1.00 0.00 H new ATOM 285 N GLU A 22 -0.075 -12.497 0.054 1.00 0.00 N ATOM 286 CA GLU A 22 -1.479 -12.833 0.257 1.00 0.00 C ATOM 287 C GLU A 22 -1.725 -13.303 1.688 1.00 0.00 C ATOM 288 O GLU A 22 -0.901 -14.006 2.272 1.00 0.00 O ATOM 289 CB GLU A 22 -1.914 -13.918 -0.730 1.00 0.00 C ATOM 290 CG GLU A 22 -3.311 -14.456 -0.466 1.00 0.00 C ATOM 291 CD GLU A 22 -3.474 -15.897 -0.909 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.536 -16.139 -2.132 1.00 0.00 O ATOM 293 OE2 GLU A 22 -3.539 -16.783 -0.031 1.00 0.00 O ATOM 0 H GLU A 22 0.286 -12.733 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.070 -11.934 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.874 -13.514 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.202 -14.742 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.530 -14.380 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.040 -13.835 -0.987 1.00 0.00 H new ATOM 300 N GLY A 23 -2.865 -12.910 2.247 1.00 0.00 N ATOM 301 CA GLY A 23 -3.199 -13.299 3.605 1.00 0.00 C ATOM 302 C GLY A 23 -2.742 -12.280 4.629 1.00 0.00 C ATOM 303 O GLY A 23 -3.460 -11.984 5.584 1.00 0.00 O ATOM 0 H GLY A 23 -3.564 -12.329 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.278 -13.433 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.741 -14.263 3.827 1.00 0.00 H new ATOM 307 N ASP A 24 -1.543 -11.742 4.432 1.00 0.00 N ATOM 308 CA ASP A 24 -0.990 -10.751 5.347 1.00 0.00 C ATOM 309 C ASP A 24 -1.779 -9.447 5.278 1.00 0.00 C ATOM 310 O ASP A 24 -2.678 -9.296 4.449 1.00 0.00 O ATOM 311 CB ASP A 24 0.481 -10.489 5.021 1.00 0.00 C ATOM 312 CG ASP A 24 1.397 -11.560 5.579 1.00 0.00 C ATOM 313 OD1 ASP A 24 1.319 -11.833 6.795 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.193 -12.125 4.799 1.00 0.00 O ATOM 0 H ASP A 24 -0.936 -11.976 3.647 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.065 -11.147 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.606 -10.435 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.772 -9.519 5.425 1.00 0.00 H new ATOM 319 N THR A 25 -1.439 -8.507 6.154 1.00 0.00 N ATOM 320 CA THR A 25 -2.116 -7.217 6.194 1.00 0.00 C ATOM 321 C THR A 25 -1.258 -6.126 5.564 1.00 0.00 C ATOM 322 O THR A 25 -0.330 -5.614 6.189 1.00 0.00 O ATOM 323 CB THR A 25 -2.466 -6.811 7.637 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.327 -7.790 8.227 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.143 -5.449 7.667 1.00 0.00 C ATOM 0 H THR A 25 -0.698 -8.615 6.846 1.00 0.00 H new ATOM 0 HA THR A 25 -3.037 -7.326 5.622 1.00 0.00 H new ATOM 0 HB THR A 25 -1.540 -6.752 8.208 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.543 -7.525 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.381 -5.184 8.697 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.473 -4.700 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.061 -5.486 7.081 1.00 0.00 H new ATOM 333 N ALA A 26 -1.575 -5.774 4.322 1.00 0.00 N ATOM 334 CA ALA A 26 -0.834 -4.741 3.609 1.00 0.00 C ATOM 335 C ALA A 26 -1.071 -3.368 4.229 1.00 0.00 C ATOM 336 O ALA A 26 -2.209 -2.907 4.328 1.00 0.00 O ATOM 337 CB ALA A 26 -1.224 -4.732 2.138 1.00 0.00 C ATOM 0 H ALA A 26 -2.340 -6.189 3.789 1.00 0.00 H new ATOM 0 HA ALA A 26 0.229 -4.969 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.663 -3.956 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.997 -5.702 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.291 -4.532 2.046 1.00 0.00 H new ATOM 343 N THR A 27 0.010 -2.717 4.646 1.00 0.00 N ATOM 344 CA THR A 27 -0.080 -1.398 5.259 1.00 0.00 C ATOM 345 C THR A 27 0.790 -0.388 4.520 1.00 0.00 C ATOM 346 O THR A 27 2.012 -0.375 4.674 1.00 0.00 O ATOM 347 CB THR A 27 0.342 -1.436 6.740 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.462 -2.380 7.454 1.00 0.00 O ATOM 349 CG2 THR A 27 0.205 -0.061 7.376 1.00 0.00 C ATOM 0 H THR A 27 0.959 -3.082 4.570 1.00 0.00 H new ATOM 0 HA THR A 27 -1.124 -1.090 5.195 1.00 0.00 H new ATOM 0 HB THR A 27 1.388 -1.740 6.790 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.186 -2.399 8.394 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.508 -0.112 8.422 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.841 0.649 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.833 0.266 7.315 1.00 0.00 H new ATOM 357 N LEU A 28 0.154 0.459 3.717 1.00 0.00 N ATOM 358 CA LEU A 28 0.870 1.475 2.954 1.00 0.00 C ATOM 359 C LEU A 28 0.880 2.807 3.696 1.00 0.00 C ATOM 360 O LEU A 28 0.207 2.967 4.714 1.00 0.00 O ATOM 361 CB LEU A 28 0.231 1.650 1.575 1.00 0.00 C ATOM 362 CG LEU A 28 0.663 0.650 0.502 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.191 -0.607 0.570 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.579 1.281 -0.880 1.00 0.00 C ATOM 0 H LEU A 28 -0.856 0.462 3.578 1.00 0.00 H new ATOM 0 HA LEU A 28 1.901 1.142 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.851 1.586 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.456 2.655 1.218 1.00 0.00 H new ATOM 0 HG LEU A 28 1.700 0.370 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.131 -1.307 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.079 -1.070 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.237 -0.345 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.890 0.555 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.448 1.590 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.234 2.151 -0.923 1.00 0.00 H new ATOM 376 N TRP A 29 1.646 3.761 3.178 1.00 0.00 N ATOM 377 CA TRP A 29 1.742 5.081 3.791 1.00 0.00 C ATOM 378 C TRP A 29 2.360 6.085 2.825 1.00 0.00 C ATOM 379 O TRP A 29 3.049 5.706 1.877 1.00 0.00 O ATOM 380 CB TRP A 29 2.571 5.011 5.074 1.00 0.00 C ATOM 381 CG TRP A 29 4.044 4.891 4.824 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.771 3.737 4.750 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.968 5.965 4.617 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.092 4.029 4.510 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.239 5.389 4.423 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.846 7.356 4.575 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.377 6.157 4.192 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.976 8.117 4.345 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.228 7.517 4.155 1.00 0.00 C ATOM 0 H TRP A 29 2.209 3.645 2.336 1.00 0.00 H new ATOM 0 HA TRP A 29 0.734 5.415 4.037 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.382 5.905 5.669 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.240 4.158 5.666 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.367 2.742 4.863 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.842 3.345 4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.885 7.828 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.343 5.696 4.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.893 9.193 4.311 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.092 8.140 3.976 1.00 0.00 H new ATOM 400 N CYS A 30 2.112 7.367 3.072 1.00 0.00 N ATOM 401 CA CYS A 30 2.644 8.426 2.223 1.00 0.00 C ATOM 402 C CYS A 30 2.737 9.742 2.989 1.00 0.00 C ATOM 403 O CYS A 30 1.793 10.143 3.668 1.00 0.00 O ATOM 404 CB CYS A 30 1.767 8.605 0.983 1.00 0.00 C ATOM 405 SG CYS A 30 0.256 9.554 1.278 1.00 0.00 S ATOM 0 H CYS A 30 1.546 7.697 3.853 1.00 0.00 H new ATOM 0 HA CYS A 30 3.647 8.136 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.350 9.102 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.496 7.622 0.598 1.00 0.00 H new ATOM 0 HG CYS A 30 0.149 10.489 0.381 1.00 0.00 H new ATOM 411 N GLU A 31 3.883 10.407 2.875 1.00 0.00 N ATOM 412 CA GLU A 31 4.099 11.676 3.560 1.00 0.00 C ATOM 413 C GLU A 31 3.304 12.796 2.895 1.00 0.00 C ATOM 414 O GLU A 31 2.969 12.717 1.712 1.00 0.00 O ATOM 415 CB GLU A 31 5.588 12.029 3.569 1.00 0.00 C ATOM 416 CG GLU A 31 5.910 13.291 4.351 1.00 0.00 C ATOM 417 CD GLU A 31 7.296 13.259 4.966 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.535 12.407 5.847 1.00 0.00 O ATOM 419 OE2 GLU A 31 8.141 14.086 4.565 1.00 0.00 O ATOM 0 H GLU A 31 4.674 10.089 2.316 1.00 0.00 H new ATOM 0 HA GLU A 31 3.752 11.568 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.148 11.196 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.930 12.151 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.830 14.154 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.170 13.424 5.140 1.00 0.00 H new ATOM 426 N LEU A 32 3.004 13.837 3.663 1.00 0.00 N ATOM 427 CA LEU A 32 2.247 14.974 3.149 1.00 0.00 C ATOM 428 C LEU A 32 2.883 16.291 3.582 1.00 0.00 C ATOM 429 O LEU A 32 3.495 16.377 4.646 1.00 0.00 O ATOM 430 CB LEU A 32 0.798 14.909 3.636 1.00 0.00 C ATOM 431 CG LEU A 32 -0.214 15.735 2.841 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.204 15.325 1.377 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.609 15.579 3.431 1.00 0.00 C ATOM 0 H LEU A 32 3.273 13.918 4.644 1.00 0.00 H new ATOM 0 HA LEU A 32 2.260 14.926 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.477 13.867 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.770 15.238 4.675 1.00 0.00 H new ATOM 0 HG LEU A 32 0.071 16.785 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.930 15.923 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.790 15.487 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.465 14.270 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.317 16.173 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.903 14.530 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.607 15.922 4.466 1.00 0.00 H new ATOM 445 N SER A 33 2.731 17.317 2.750 1.00 0.00 N ATOM 446 CA SER A 33 3.291 18.631 3.046 1.00 0.00 C ATOM 447 C SER A 33 2.510 19.315 4.163 1.00 0.00 C ATOM 448 O SER A 33 3.062 20.106 4.929 1.00 0.00 O ATOM 449 CB SER A 33 3.283 19.506 1.792 1.00 0.00 C ATOM 450 OG SER A 33 2.079 20.247 1.695 1.00 0.00 O ATOM 0 H SER A 33 2.225 17.264 1.866 1.00 0.00 H new ATOM 0 HA SER A 33 4.320 18.494 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.133 20.188 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.401 18.880 0.907 1.00 0.00 H new ATOM 0 HG SER A 33 2.099 20.800 0.886 1.00 0.00 H new ATOM 456 N LYS A 34 1.220 19.006 4.250 1.00 0.00 N ATOM 457 CA LYS A 34 0.361 19.590 5.273 1.00 0.00 C ATOM 458 C LYS A 34 -0.545 18.529 5.892 1.00 0.00 C ATOM 459 O LYS A 34 -0.999 17.612 5.209 1.00 0.00 O ATOM 460 CB LYS A 34 -0.488 20.714 4.675 1.00 0.00 C ATOM 461 CG LYS A 34 -1.717 21.053 5.500 1.00 0.00 C ATOM 462 CD LYS A 34 -1.343 21.749 6.798 1.00 0.00 C ATOM 463 CE LYS A 34 -1.295 23.260 6.627 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.639 23.879 6.790 1.00 0.00 N ATOM 0 H LYS A 34 0.747 18.354 3.624 1.00 0.00 H new ATOM 0 HA LYS A 34 0.998 20.002 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.128 21.607 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.802 20.426 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.380 21.695 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.270 20.141 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.067 21.492 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.372 21.389 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.608 23.687 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.901 23.502 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.564 24.909 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.289 23.491 6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.004 23.670 7.741 1.00 0.00 H new ATOM 478 N ALA A 35 -0.804 18.663 7.189 1.00 0.00 N ATOM 479 CA ALA A 35 -1.658 17.718 7.898 1.00 0.00 C ATOM 480 C ALA A 35 -3.126 17.931 7.543 1.00 0.00 C ATOM 481 O ALA A 35 -3.843 18.653 8.235 1.00 0.00 O ATOM 482 CB ALA A 35 -1.453 17.846 9.400 1.00 0.00 C ATOM 0 H ALA A 35 -0.435 19.416 7.769 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.379 16.711 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.097 17.135 9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.412 17.637 9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.704 18.859 9.716 1.00 0.00 H new ATOM 488 N ALA A 36 -3.566 17.300 6.459 1.00 0.00 N ATOM 489 CA ALA A 36 -4.948 17.420 6.013 1.00 0.00 C ATOM 490 C ALA A 36 -5.603 16.049 5.879 1.00 0.00 C ATOM 491 O ALA A 36 -4.933 15.027 5.727 1.00 0.00 O ATOM 492 CB ALA A 36 -5.013 18.170 4.691 1.00 0.00 C ATOM 0 H ALA A 36 -2.985 16.700 5.874 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.499 17.984 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.051 18.252 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.592 19.168 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.442 17.628 3.937 1.00 0.00 H new ATOM 498 N PRO A 37 -6.942 16.024 5.936 1.00 0.00 N ATOM 499 CA PRO A 37 -7.716 14.785 5.823 1.00 0.00 C ATOM 500 C PRO A 37 -7.668 14.197 4.417 1.00 0.00 C ATOM 501 O PRO A 37 -8.565 14.427 3.606 1.00 0.00 O ATOM 502 CB PRO A 37 -9.141 15.223 6.171 1.00 0.00 C ATOM 503 CG PRO A 37 -9.184 16.674 5.835 1.00 0.00 C ATOM 504 CD PRO A 37 -7.805 17.204 6.116 1.00 0.00 C ATOM 0 HA PRO A 37 -7.326 14.001 6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.879 14.662 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.361 15.054 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.455 16.825 4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.931 17.192 6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.536 18.007 5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.728 17.608 7.125 1.00 0.00 H new ATOM 512 N VAL A 38 -6.615 13.437 4.134 1.00 0.00 N ATOM 513 CA VAL A 38 -6.450 12.815 2.825 1.00 0.00 C ATOM 514 C VAL A 38 -7.560 11.806 2.553 1.00 0.00 C ATOM 515 O VAL A 38 -8.464 11.628 3.369 1.00 0.00 O ATOM 516 CB VAL A 38 -5.087 12.107 2.708 1.00 0.00 C ATOM 517 CG1 VAL A 38 -3.951 13.103 2.883 1.00 0.00 C ATOM 518 CG2 VAL A 38 -4.982 10.982 3.726 1.00 0.00 C ATOM 0 H VAL A 38 -5.863 13.237 4.794 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.500 13.614 2.086 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.007 11.673 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.996 12.585 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.018 13.870 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.024 13.569 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.013 10.493 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.083 11.391 4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.775 10.255 3.548 1.00 0.00 H new ATOM 528 N GLU A 39 -7.484 11.148 1.401 1.00 0.00 N ATOM 529 CA GLU A 39 -8.484 10.156 1.021 1.00 0.00 C ATOM 530 C GLU A 39 -7.883 9.107 0.090 1.00 0.00 C ATOM 531 O GLU A 39 -7.226 9.440 -0.896 1.00 0.00 O ATOM 532 CB GLU A 39 -9.675 10.834 0.342 1.00 0.00 C ATOM 533 CG GLU A 39 -10.780 9.869 -0.054 1.00 0.00 C ATOM 534 CD GLU A 39 -12.009 10.578 -0.590 1.00 0.00 C ATOM 535 OE1 GLU A 39 -12.618 11.362 0.167 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.361 10.349 -1.766 1.00 0.00 O ATOM 0 H GLU A 39 -6.741 11.283 0.715 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.827 9.658 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.086 11.587 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.325 11.358 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.403 9.181 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.060 9.268 0.811 1.00 0.00 H new ATOM 543 N TRP A 40 -8.111 7.839 0.412 1.00 0.00 N ATOM 544 CA TRP A 40 -7.592 6.740 -0.394 1.00 0.00 C ATOM 545 C TRP A 40 -8.656 6.220 -1.355 1.00 0.00 C ATOM 546 O TRP A 40 -9.851 6.421 -1.140 1.00 0.00 O ATOM 547 CB TRP A 40 -7.103 5.605 0.507 1.00 0.00 C ATOM 548 CG TRP A 40 -5.972 6.005 1.406 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.017 6.913 2.425 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.629 5.512 1.364 1.00 0.00 C ATOM 551 NE1 TRP A 40 -4.782 7.014 3.019 1.00 0.00 N ATOM 552 CE2 TRP A 40 -3.914 6.164 2.387 1.00 0.00 C ATOM 553 CE3 TRP A 40 -3.962 4.581 0.563 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.565 5.914 2.628 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.623 4.335 0.803 1.00 0.00 C ATOM 556 CH2 TRP A 40 -1.937 4.998 1.829 1.00 0.00 C ATOM 0 H TRP A 40 -8.652 7.546 1.226 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.753 7.117 -0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.934 5.251 1.117 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.785 4.768 -0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.894 7.470 2.721 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.550 7.623 3.803 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.483 4.063 -0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.034 6.425 3.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.097 3.619 0.189 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.892 4.782 1.992 1.00 0.00 H new ATOM 567 N ARG A 41 -8.213 5.552 -2.415 1.00 0.00 N ATOM 568 CA ARG A 41 -9.128 5.005 -3.410 1.00 0.00 C ATOM 569 C ARG A 41 -8.584 3.703 -3.991 1.00 0.00 C ATOM 570 O ARG A 41 -7.442 3.643 -4.446 1.00 0.00 O ATOM 571 CB ARG A 41 -9.362 6.018 -4.531 1.00 0.00 C ATOM 572 CG ARG A 41 -9.924 7.345 -4.046 1.00 0.00 C ATOM 573 CD ARG A 41 -9.637 8.466 -5.033 1.00 0.00 C ATOM 574 NE ARG A 41 -10.660 9.507 -4.991 1.00 0.00 N ATOM 575 CZ ARG A 41 -10.695 10.537 -5.829 1.00 0.00 C ATOM 576 NH1 ARG A 41 -9.770 10.662 -6.771 1.00 0.00 N ATOM 577 NH2 ARG A 41 -11.658 11.444 -5.727 1.00 0.00 N ATOM 0 H ARG A 41 -7.227 5.377 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.077 4.794 -2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.420 6.199 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.048 5.588 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.000 7.254 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.491 7.592 -3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.664 8.905 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.579 8.055 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.388 9.440 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.029 9.966 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.800 11.454 -7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.372 11.351 -5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.684 12.235 -6.371 1.00 0.00 H new ATOM 591 N LYS A 42 -9.409 2.662 -3.973 1.00 0.00 N ATOM 592 CA LYS A 42 -9.013 1.361 -4.498 1.00 0.00 C ATOM 593 C LYS A 42 -9.603 1.132 -5.886 1.00 0.00 C ATOM 594 O LYS A 42 -10.764 0.748 -6.021 1.00 0.00 O ATOM 595 CB LYS A 42 -9.462 0.247 -3.550 1.00 0.00 C ATOM 596 CG LYS A 42 -9.122 -1.148 -4.047 1.00 0.00 C ATOM 597 CD LYS A 42 -9.826 -2.218 -3.228 1.00 0.00 C ATOM 598 CE LYS A 42 -9.538 -3.611 -3.768 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.472 -4.626 -3.207 1.00 0.00 N ATOM 0 H LYS A 42 -10.358 2.694 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.926 1.345 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.997 0.400 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.540 0.319 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.409 -1.242 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.044 -1.301 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.502 -2.155 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.901 -2.037 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.620 -3.603 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.512 -3.889 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.994 -5.548 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.766 -4.337 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.309 -4.703 -3.819 1.00 0.00 H new ATOM 613 N GLY A 43 -8.795 1.368 -6.915 1.00 0.00 N ATOM 614 CA GLY A 43 -9.255 1.180 -8.278 1.00 0.00 C ATOM 615 C GLY A 43 -10.229 2.257 -8.715 1.00 0.00 C ATOM 616 O GLY A 43 -9.825 3.373 -9.043 1.00 0.00 O ATOM 0 H GLY A 43 -7.830 1.686 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.397 1.176 -8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.733 0.205 -8.365 1.00 0.00 H new ATOM 620 N HIS A 44 -11.515 1.923 -8.720 1.00 0.00 N ATOM 621 CA HIS A 44 -12.550 2.870 -9.121 1.00 0.00 C ATOM 622 C HIS A 44 -13.535 3.113 -7.982 1.00 0.00 C ATOM 623 O HIS A 44 -14.735 3.262 -8.209 1.00 0.00 O ATOM 624 CB HIS A 44 -13.294 2.353 -10.353 1.00 0.00 C ATOM 625 CG HIS A 44 -12.442 2.287 -11.583 1.00 0.00 C ATOM 626 ND1 HIS A 44 -12.143 3.391 -12.352 1.00 0.00 N ATOM 627 CD2 HIS A 44 -11.823 1.239 -12.175 1.00 0.00 C ATOM 628 CE1 HIS A 44 -11.379 3.025 -13.365 1.00 0.00 C ATOM 629 NE2 HIS A 44 -11.169 1.724 -13.281 1.00 0.00 N ATOM 0 H HIS A 44 -11.866 1.004 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.067 3.815 -9.368 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.687 1.359 -10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.150 2.999 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.840 0.212 -11.840 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.992 3.679 -14.132 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.612 1.170 -13.931 1.00 0.00 H new ATOM 638 N GLU A 45 -13.019 3.151 -6.757 1.00 0.00 N ATOM 639 CA GLU A 45 -13.854 3.374 -5.583 1.00 0.00 C ATOM 640 C GLU A 45 -13.030 3.935 -4.428 1.00 0.00 C ATOM 641 O GLU A 45 -11.888 3.530 -4.210 1.00 0.00 O ATOM 642 CB GLU A 45 -14.531 2.071 -5.156 1.00 0.00 C ATOM 643 CG GLU A 45 -15.574 2.255 -4.066 1.00 0.00 C ATOM 644 CD GLU A 45 -15.947 0.950 -3.389 1.00 0.00 C ATOM 645 OE1 GLU A 45 -16.727 0.176 -3.983 1.00 0.00 O ATOM 646 OE2 GLU A 45 -15.459 0.703 -2.266 1.00 0.00 O ATOM 0 H GLU A 45 -12.027 3.030 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.620 4.103 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.004 1.615 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.770 1.374 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.194 2.952 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.468 2.705 -4.496 1.00 0.00 H new ATOM 653 N THR A 46 -13.618 4.871 -3.689 1.00 0.00 N ATOM 654 CA THR A 46 -12.939 5.489 -2.557 1.00 0.00 C ATOM 655 C THR A 46 -12.963 4.576 -1.336 1.00 0.00 C ATOM 656 O THR A 46 -14.024 4.112 -0.916 1.00 0.00 O ATOM 657 CB THR A 46 -13.580 6.840 -2.186 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.332 7.800 -3.219 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.031 7.355 -0.865 1.00 0.00 C ATOM 0 H THR A 46 -14.563 5.217 -3.854 1.00 0.00 H new ATOM 0 HA THR A 46 -11.906 5.657 -2.862 1.00 0.00 H new ATOM 0 HB THR A 46 -14.655 6.690 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.020 8.638 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.498 8.310 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.248 6.635 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.952 7.489 -0.947 1.00 0.00 H new ATOM 667 N LEU A 47 -11.789 4.323 -0.769 1.00 0.00 N ATOM 668 CA LEU A 47 -11.675 3.465 0.405 1.00 0.00 C ATOM 669 C LEU A 47 -12.298 4.131 1.628 1.00 0.00 C ATOM 670 O LEU A 47 -12.407 5.356 1.692 1.00 0.00 O ATOM 671 CB LEU A 47 -10.207 3.137 0.681 1.00 0.00 C ATOM 672 CG LEU A 47 -9.567 2.096 -0.238 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.108 1.883 0.132 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.334 0.783 -0.171 1.00 0.00 C ATOM 0 H LEU A 47 -10.902 4.700 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.215 2.540 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.630 4.059 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.121 2.786 1.709 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.610 2.467 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.669 1.139 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.566 2.824 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.041 1.534 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.865 0.053 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.323 0.407 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.365 0.947 -0.486 1.00 0.00 H new ATOM 686 N ARG A 48 -12.704 3.316 2.596 1.00 0.00 N ATOM 687 CA ARG A 48 -13.315 3.827 3.818 1.00 0.00 C ATOM 688 C ARG A 48 -13.030 2.900 4.996 1.00 0.00 C ATOM 689 O ARG A 48 -12.934 1.684 4.833 1.00 0.00 O ATOM 690 CB ARG A 48 -14.826 3.983 3.631 1.00 0.00 C ATOM 691 CG ARG A 48 -15.208 5.068 2.638 1.00 0.00 C ATOM 692 CD ARG A 48 -16.717 5.194 2.505 1.00 0.00 C ATOM 693 NE ARG A 48 -17.108 6.455 1.879 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.351 6.924 1.886 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.318 6.242 2.483 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.628 8.080 1.295 1.00 0.00 N ATOM 0 H ARG A 48 -12.621 2.300 2.558 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.880 4.803 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.242 3.033 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.282 4.208 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.789 6.021 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.773 4.841 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.100 4.362 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.175 5.122 3.491 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.388 7.005 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.109 5.354 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.271 6.605 2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.886 8.608 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.582 8.440 1.301 1.00 0.00 H new ATOM 710 N ASP A 49 -12.896 3.484 6.182 1.00 0.00 N ATOM 711 CA ASP A 49 -12.623 2.711 7.388 1.00 0.00 C ATOM 712 C ASP A 49 -13.768 1.750 7.688 1.00 0.00 C ATOM 713 O ASP A 49 -14.778 2.135 8.275 1.00 0.00 O ATOM 714 CB ASP A 49 -12.400 3.646 8.578 1.00 0.00 C ATOM 715 CG ASP A 49 -13.624 4.482 8.896 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.333 4.877 7.947 1.00 0.00 O ATOM 717 OD2 ASP A 49 -13.872 4.742 10.092 1.00 0.00 O ATOM 0 H ASP A 49 -12.972 4.490 6.334 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.718 2.127 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.129 3.056 9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.559 4.306 8.365 1.00 0.00 H new ATOM 765 N HIS A 53 -10.594 -2.592 6.561 1.00 0.00 N ATOM 766 CA HIS A 53 -9.896 -1.420 6.045 1.00 0.00 C ATOM 767 C HIS A 53 -9.685 -0.385 7.145 1.00 0.00 C ATOM 768 O HIS A 53 -10.554 -0.178 7.992 1.00 0.00 O ATOM 769 CB HIS A 53 -10.682 -0.800 4.889 1.00 0.00 C ATOM 770 CG HIS A 53 -10.744 -1.671 3.672 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.857 -2.411 3.332 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.823 -1.916 2.711 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.617 -3.075 2.216 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.390 -2.792 1.818 1.00 0.00 N ATOM 0 HA HIS A 53 -8.920 -1.740 5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.697 -0.585 5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.227 0.153 4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.828 -1.500 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.307 -3.737 1.714 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.937 -3.164 0.983 1.00 0.00 H new ATOM 783 N SER A 54 -8.524 0.263 7.127 1.00 0.00 N ATOM 784 CA SER A 54 -8.196 1.273 8.126 1.00 0.00 C ATOM 785 C SER A 54 -7.595 2.512 7.469 1.00 0.00 C ATOM 786 O SER A 54 -6.466 2.481 6.977 1.00 0.00 O ATOM 787 CB SER A 54 -7.220 0.704 9.158 1.00 0.00 C ATOM 788 OG SER A 54 -7.593 -0.608 9.543 1.00 0.00 O ATOM 0 H SER A 54 -7.795 0.106 6.431 1.00 0.00 H new ATOM 0 HA SER A 54 -9.118 1.562 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.212 0.692 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.195 1.351 10.035 1.00 0.00 H new ATOM 0 HG SER A 54 -6.789 -1.154 9.666 1.00 0.00 H new ATOM 794 N LEU A 55 -8.356 3.600 7.465 1.00 0.00 N ATOM 795 CA LEU A 55 -7.899 4.851 6.868 1.00 0.00 C ATOM 796 C LEU A 55 -7.734 5.933 7.931 1.00 0.00 C ATOM 797 O LEU A 55 -8.716 6.490 8.421 1.00 0.00 O ATOM 798 CB LEU A 55 -8.886 5.318 5.798 1.00 0.00 C ATOM 799 CG LEU A 55 -8.992 4.438 4.552 1.00 0.00 C ATOM 800 CD1 LEU A 55 -9.969 3.296 4.787 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.417 5.266 3.348 1.00 0.00 C ATOM 0 H LEU A 55 -9.292 3.642 7.868 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.929 4.671 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.874 5.392 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.603 6.323 5.485 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.010 4.013 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.032 2.680 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.623 2.687 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.954 3.702 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.487 4.623 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.388 5.720 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.680 6.049 3.166 1.00 0.00 H new ATOM 813 N ARG A 56 -6.486 6.226 8.281 1.00 0.00 N ATOM 814 CA ARG A 56 -6.192 7.241 9.285 1.00 0.00 C ATOM 815 C ARG A 56 -4.829 7.879 9.031 1.00 0.00 C ATOM 816 O ARG A 56 -3.856 7.186 8.734 1.00 0.00 O ATOM 817 CB ARG A 56 -6.228 6.629 10.686 1.00 0.00 C ATOM 818 CG ARG A 56 -5.307 5.431 10.851 1.00 0.00 C ATOM 819 CD ARG A 56 -5.353 4.884 12.269 1.00 0.00 C ATOM 820 NE ARG A 56 -4.345 3.851 12.490 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.296 3.093 13.580 1.00 0.00 C ATOM 822 NH1 ARG A 56 -5.194 3.250 14.542 1.00 0.00 N ATOM 823 NH2 ARG A 56 -3.347 2.174 13.708 1.00 0.00 N ATOM 0 H ARG A 56 -5.662 5.775 7.884 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.955 8.016 9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.952 7.392 11.414 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.250 6.325 10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.596 4.649 10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.285 5.719 10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.199 5.698 12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.343 4.473 12.467 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.640 3.703 11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.926 3.954 14.447 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.154 2.666 15.378 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.655 2.049 12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.310 1.592 14.545 1.00 0.00 H new ATOM 837 N GLN A 57 -4.769 9.201 9.149 1.00 0.00 N ATOM 838 CA GLN A 57 -3.526 9.931 8.931 1.00 0.00 C ATOM 839 C GLN A 57 -3.215 10.843 10.113 1.00 0.00 C ATOM 840 O GLN A 57 -4.122 11.372 10.756 1.00 0.00 O ATOM 841 CB GLN A 57 -3.612 10.755 7.645 1.00 0.00 C ATOM 842 CG GLN A 57 -4.301 12.097 7.827 1.00 0.00 C ATOM 843 CD GLN A 57 -3.335 13.202 8.206 1.00 0.00 C ATOM 844 OE1 GLN A 57 -2.960 13.343 9.370 1.00 0.00 O ATOM 845 NE2 GLN A 57 -2.926 13.995 7.222 1.00 0.00 N ATOM 0 H GLN A 57 -5.566 9.788 9.394 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.720 9.204 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.605 10.922 7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.148 10.180 6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.812 12.367 6.903 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.065 12.007 8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.262 13.843 6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.276 14.756 7.417 1.00 0.00 H new ATOM 854 N ASP A 58 -1.930 11.023 10.394 1.00 0.00 N ATOM 855 CA ASP A 58 -1.499 11.872 11.498 1.00 0.00 C ATOM 856 C ASP A 58 -0.268 12.685 11.111 1.00 0.00 C ATOM 857 O ASP A 58 0.568 12.231 10.331 1.00 0.00 O ATOM 858 CB ASP A 58 -1.198 11.023 12.735 1.00 0.00 C ATOM 859 CG ASP A 58 -2.411 10.849 13.627 1.00 0.00 C ATOM 860 OD1 ASP A 58 -2.737 11.795 14.375 1.00 0.00 O ATOM 861 OD2 ASP A 58 -3.033 9.767 13.579 1.00 0.00 O ATOM 0 H ASP A 58 -1.167 10.592 9.872 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.309 12.563 11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.838 10.043 12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.395 11.490 13.306 1.00 0.00 H new ATOM 866 N GLY A 59 -0.164 13.891 11.662 1.00 0.00 N ATOM 867 CA GLY A 59 0.968 14.748 11.361 1.00 0.00 C ATOM 868 C GLY A 59 1.438 14.606 9.927 1.00 0.00 C ATOM 869 O GLY A 59 2.548 14.138 9.674 1.00 0.00 O ATOM 0 H GLY A 59 -0.843 14.289 12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.694 15.786 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.790 14.508 12.035 1.00 0.00 H new ATOM 873 N SER A 60 0.591 15.011 8.986 1.00 0.00 N ATOM 874 CA SER A 60 0.924 14.921 7.569 1.00 0.00 C ATOM 875 C SER A 60 1.465 13.537 7.224 1.00 0.00 C ATOM 876 O SER A 60 2.431 13.405 6.472 1.00 0.00 O ATOM 877 CB SER A 60 1.952 15.990 7.196 1.00 0.00 C ATOM 878 OG SER A 60 1.740 17.181 7.934 1.00 0.00 O ATOM 0 H SER A 60 -0.330 15.404 9.179 1.00 0.00 H new ATOM 0 HA SER A 60 0.012 15.088 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.957 15.614 7.387 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.889 16.203 6.129 1.00 0.00 H new ATOM 0 HG SER A 60 2.411 17.848 7.679 1.00 0.00 H new ATOM 884 N ARG A 61 0.835 12.507 7.780 1.00 0.00 N ATOM 885 CA ARG A 61 1.253 11.132 7.534 1.00 0.00 C ATOM 886 C ARG A 61 0.044 10.230 7.302 1.00 0.00 C ATOM 887 O ARG A 61 -0.757 10.004 8.209 1.00 0.00 O ATOM 888 CB ARG A 61 2.076 10.608 8.712 1.00 0.00 C ATOM 889 CG ARG A 61 2.925 9.395 8.369 1.00 0.00 C ATOM 890 CD ARG A 61 3.154 8.513 9.587 1.00 0.00 C ATOM 891 NE ARG A 61 2.105 7.509 9.741 1.00 0.00 N ATOM 892 CZ ARG A 61 2.019 6.690 10.783 1.00 0.00 C ATOM 893 NH1 ARG A 61 2.914 6.756 11.758 1.00 0.00 N ATOM 894 NH2 ARG A 61 1.035 5.802 10.851 1.00 0.00 N ATOM 0 H ARG A 61 0.033 12.599 8.404 1.00 0.00 H new ATOM 0 HA ARG A 61 1.870 11.121 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.725 11.405 9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.402 10.350 9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.435 8.816 7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.885 9.722 7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.120 8.017 9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.195 9.134 10.482 1.00 0.00 H new ATOM 0 HE ARG A 61 1.400 7.432 9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.672 7.437 11.710 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.845 6.126 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.344 5.748 10.103 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.970 5.173 11.652 1.00 0.00 H new ATOM 908 N CYS A 62 -0.080 9.718 6.082 1.00 0.00 N ATOM 909 CA CYS A 62 -1.192 8.842 5.731 1.00 0.00 C ATOM 910 C CYS A 62 -0.804 7.377 5.902 1.00 0.00 C ATOM 911 O CYS A 62 0.330 6.989 5.623 1.00 0.00 O ATOM 912 CB CYS A 62 -1.635 9.099 4.290 1.00 0.00 C ATOM 913 SG CYS A 62 -1.390 10.803 3.735 1.00 0.00 S ATOM 0 H CYS A 62 0.575 9.894 5.320 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.021 9.061 6.403 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.086 8.430 3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.691 8.846 4.195 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.744 10.803 2.607 1.00 0.00 H new ATOM 919 N GLU A 63 -1.753 6.569 6.364 1.00 0.00 N ATOM 920 CA GLU A 63 -1.509 5.147 6.576 1.00 0.00 C ATOM 921 C GLU A 63 -2.780 4.336 6.341 1.00 0.00 C ATOM 922 O GLU A 63 -3.741 4.432 7.105 1.00 0.00 O ATOM 923 CB GLU A 63 -0.988 4.901 7.993 1.00 0.00 C ATOM 924 CG GLU A 63 -0.073 3.693 8.104 1.00 0.00 C ATOM 925 CD GLU A 63 0.162 3.269 9.541 1.00 0.00 C ATOM 926 OE1 GLU A 63 -0.827 2.947 10.233 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.333 3.261 9.974 1.00 0.00 O ATOM 0 H GLU A 63 -2.697 6.875 6.599 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.755 4.824 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.450 5.786 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.836 4.767 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.507 2.861 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.884 3.923 7.636 1.00 0.00 H new ATOM 934 N LEU A 64 -2.778 3.538 5.279 1.00 0.00 N ATOM 935 CA LEU A 64 -3.931 2.709 4.942 1.00 0.00 C ATOM 936 C LEU A 64 -3.663 1.244 5.270 1.00 0.00 C ATOM 937 O LEU A 64 -2.535 0.767 5.146 1.00 0.00 O ATOM 938 CB LEU A 64 -4.274 2.857 3.459 1.00 0.00 C ATOM 939 CG LEU A 64 -5.171 1.771 2.866 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.608 1.954 3.329 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.093 1.784 1.347 1.00 0.00 C ATOM 0 H LEU A 64 -1.991 3.447 4.636 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.777 3.047 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.761 3.821 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.343 2.881 2.892 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.817 0.802 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.232 1.172 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.651 1.893 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.973 2.929 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.738 1.004 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.420 2.755 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.065 1.603 1.034 1.00 0.00 H new ATOM 953 N GLN A 65 -4.707 0.536 5.687 1.00 0.00 N ATOM 954 CA GLN A 65 -4.584 -0.876 6.031 1.00 0.00 C ATOM 955 C GLN A 65 -5.627 -1.709 5.294 1.00 0.00 C ATOM 956 O GLN A 65 -6.769 -1.282 5.124 1.00 0.00 O ATOM 957 CB GLN A 65 -4.734 -1.070 7.541 1.00 0.00 C ATOM 958 CG GLN A 65 -4.004 -2.293 8.073 1.00 0.00 C ATOM 959 CD GLN A 65 -4.435 -2.663 9.479 1.00 0.00 C ATOM 960 OE1 GLN A 65 -5.600 -2.982 9.720 1.00 0.00 O ATOM 961 NE2 GLN A 65 -3.495 -2.624 10.416 1.00 0.00 N ATOM 0 H GLN A 65 -5.647 0.916 5.795 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.594 -1.213 5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.359 -0.183 8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.793 -1.155 7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.184 -3.137 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.931 -2.104 8.064 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.542 -2.354 10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.726 -2.864 11.380 1.00 0.00 H new ATOM 970 N ILE A 66 -5.226 -2.899 4.858 1.00 0.00 N ATOM 971 CA ILE A 66 -6.127 -3.791 4.139 1.00 0.00 C ATOM 972 C ILE A 66 -6.098 -5.196 4.732 1.00 0.00 C ATOM 973 O ILE A 66 -5.517 -6.113 4.152 1.00 0.00 O ATOM 974 CB ILE A 66 -5.768 -3.869 2.644 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.938 -2.500 1.984 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.629 -4.911 1.946 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.312 -2.409 0.610 1.00 0.00 C ATOM 0 H ILE A 66 -4.284 -3.267 4.990 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.130 -3.376 4.242 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.724 -4.168 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.001 -2.273 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.496 -1.739 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.363 -4.954 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.461 -5.886 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.680 -4.640 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.472 -1.411 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.242 -2.604 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.771 -3.147 -0.048 1.00 0.00 H new ATOM 989 N ARG A 67 -6.730 -5.357 5.890 1.00 0.00 N ATOM 990 CA ARG A 67 -6.777 -6.650 6.561 1.00 0.00 C ATOM 991 C ARG A 67 -7.092 -7.766 5.570 1.00 0.00 C ATOM 992 O ARG A 67 -7.771 -7.547 4.568 1.00 0.00 O ATOM 993 CB ARG A 67 -7.824 -6.632 7.676 1.00 0.00 C ATOM 994 CG ARG A 67 -7.475 -7.526 8.855 1.00 0.00 C ATOM 995 CD ARG A 67 -8.723 -8.041 9.553 1.00 0.00 C ATOM 996 NE ARG A 67 -8.401 -8.847 10.727 1.00 0.00 N ATOM 997 CZ ARG A 67 -9.282 -9.618 11.354 1.00 0.00 C ATOM 998 NH1 ARG A 67 -10.533 -9.688 10.921 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.912 -10.323 12.416 1.00 0.00 N ATOM 0 H ARG A 67 -7.216 -4.608 6.383 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.796 -6.841 6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.947 -5.609 8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.784 -6.944 7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.876 -8.369 8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.863 -6.970 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.345 -7.197 9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.309 -8.637 8.854 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.447 -8.816 11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.821 -9.149 10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.208 -10.281 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.950 -10.273 12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.590 -10.915 12.897 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.592 -8.965 5.857 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.830 -10.097 4.981 1.00 0.00 C ATOM 1015 C GLY A 68 -6.564 -9.770 3.525 1.00 0.00 C ATOM 1016 O GLY A 68 -7.496 -9.568 2.746 1.00 0.00 O ATOM 0 H GLY A 68 -6.027 -9.172 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.194 -10.928 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.862 -10.428 5.093 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.289 -9.716 3.157 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.901 -9.409 1.784 1.00 0.00 C ATOM 1022 C LEU A 69 -5.608 -10.335 0.799 1.00 0.00 C ATOM 1023 O LEU A 69 -6.299 -11.271 1.199 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.385 -9.534 1.621 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.574 -8.267 1.895 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.104 -8.605 2.084 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.752 -7.265 0.764 1.00 0.00 C ATOM 0 H LEU A 69 -4.506 -9.881 3.790 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.200 -8.383 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.031 -10.319 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.175 -9.863 0.603 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.943 -7.814 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.543 -7.691 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.993 -9.285 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.721 -9.081 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.168 -6.370 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.411 -7.708 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.805 -6.999 0.676 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.427 -10.068 -0.490 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.044 -10.879 -1.532 1.00 0.00 C ATOM 1041 C ALA A 70 -5.469 -10.541 -2.903 1.00 0.00 C ATOM 1042 O ALA A 70 -5.081 -9.401 -3.162 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.553 -10.685 -1.529 1.00 0.00 C ATOM 0 H ALA A 70 -4.858 -9.296 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.823 -11.925 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.000 -11.297 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.956 -10.983 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.785 -9.636 -1.711 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.416 -11.539 -3.780 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.888 -11.347 -5.126 1.00 0.00 C ATOM 1051 C VAL A 71 -5.746 -10.368 -5.918 1.00 0.00 C ATOM 1052 O VAL A 71 -5.285 -9.766 -6.888 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.808 -12.680 -5.893 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.240 -12.462 -7.287 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.973 -13.690 -5.120 1.00 0.00 C ATOM 0 H VAL A 71 -5.732 -12.488 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.883 -10.939 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.817 -13.080 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.191 -13.415 -7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.882 -11.776 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.239 -12.039 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.927 -14.626 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.965 -13.300 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.428 -13.869 -4.146 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.997 -10.212 -5.498 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.921 -9.304 -6.168 1.00 0.00 C ATOM 1067 C VAL A 72 -7.672 -7.859 -5.748 1.00 0.00 C ATOM 1068 O VAL A 72 -7.950 -6.926 -6.502 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.386 -9.670 -5.866 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.748 -11.000 -6.509 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.625 -9.712 -4.364 1.00 0.00 C ATOM 0 H VAL A 72 -7.394 -10.703 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.743 -9.404 -7.239 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.030 -8.901 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.787 -11.242 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.617 -10.930 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.100 -11.783 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.665 -9.972 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.973 -10.460 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.408 -8.734 -3.934 1.00 0.00 H new ATOM 1081 N ASP A 73 -7.147 -7.682 -4.541 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.859 -6.350 -4.021 1.00 0.00 C ATOM 1083 C ASP A 73 -5.619 -5.763 -4.688 1.00 0.00 C ATOM 1084 O ASP A 73 -5.493 -4.546 -4.822 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.661 -6.404 -2.505 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.975 -6.448 -1.750 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.934 -7.059 -2.265 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -8.045 -5.869 -0.646 1.00 0.00 O ATOM 0 H ASP A 73 -6.912 -8.443 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.709 -5.706 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.069 -7.283 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.091 -5.532 -2.185 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.707 -6.635 -5.102 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.478 -6.203 -5.756 1.00 0.00 C ATOM 1095 C ALA A 74 -3.773 -5.546 -7.100 1.00 0.00 C ATOM 1096 O ALA A 74 -4.203 -6.207 -8.044 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.534 -7.382 -5.939 1.00 0.00 C ATOM 0 H ALA A 74 -4.796 -7.646 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.997 -5.463 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.621 -7.044 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.288 -7.806 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.016 -8.142 -6.554 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.540 -4.239 -7.179 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.787 -3.514 -8.412 1.00 0.00 C ATOM 1105 C GLY A 75 -3.142 -2.143 -8.417 1.00 0.00 C ATOM 1106 O GLY A 75 -1.963 -2.006 -8.739 1.00 0.00 O ATOM 0 H GLY A 75 -3.185 -3.669 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.407 -4.094 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.862 -3.407 -8.558 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.919 -1.124 -8.061 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.416 0.244 -8.029 1.00 0.00 C ATOM 1112 C GLU A 76 -4.185 1.083 -7.013 1.00 0.00 C ATOM 1113 O GLU A 76 -5.386 1.311 -7.162 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.520 0.882 -9.416 1.00 0.00 C ATOM 1115 CG GLU A 76 -3.117 2.347 -9.444 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.555 2.772 -10.787 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -1.468 2.280 -11.157 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -3.201 3.596 -11.467 1.00 0.00 O ATOM 0 H GLU A 76 -4.898 -1.220 -7.791 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.369 0.211 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.889 0.327 -10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.546 0.789 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.984 2.963 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.373 2.530 -8.669 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.485 1.539 -5.980 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.102 2.350 -4.937 1.00 0.00 C ATOM 1127 C TYR A 77 -3.710 3.817 -5.085 1.00 0.00 C ATOM 1128 O TYR A 77 -2.532 4.146 -5.223 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.692 1.838 -3.555 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.360 0.538 -3.169 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.823 -0.684 -3.556 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.528 0.531 -2.416 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.430 -1.874 -3.205 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -6.141 -0.655 -2.060 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.588 -1.854 -2.457 1.00 0.00 C ATOM 1136 OH TYR A 77 -6.196 -3.038 -2.105 1.00 0.00 O ATOM 0 H TYR A 77 -2.490 1.361 -5.843 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.184 2.269 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.611 1.702 -3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.933 2.596 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.916 -0.703 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.964 1.468 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.000 -2.815 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.048 -0.643 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.430 -3.539 -2.914 1.00 0.00 H new ATOM 1146 N SER A 78 -4.708 4.695 -5.054 1.00 0.00 N ATOM 1147 CA SER A 78 -4.470 6.128 -5.188 1.00 0.00 C ATOM 1148 C SER A 78 -4.895 6.869 -3.924 1.00 0.00 C ATOM 1149 O SER A 78 -5.878 6.504 -3.278 1.00 0.00 O ATOM 1150 CB SER A 78 -5.227 6.681 -6.397 1.00 0.00 C ATOM 1151 OG SER A 78 -4.721 6.143 -7.606 1.00 0.00 O ATOM 0 H SER A 78 -5.689 4.439 -4.937 1.00 0.00 H new ATOM 0 HA SER A 78 -3.401 6.282 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.287 6.444 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.144 7.768 -6.416 1.00 0.00 H new ATOM 0 HG SER A 78 -5.223 6.511 -8.363 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.148 7.911 -3.578 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.446 8.705 -2.391 1.00 0.00 C ATOM 1159 C CYS A 79 -4.401 10.196 -2.708 1.00 0.00 C ATOM 1160 O CYS A 79 -3.345 10.743 -3.025 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.455 8.380 -1.272 1.00 0.00 C ATOM 1162 SG CYS A 79 -4.079 8.721 0.390 1.00 0.00 S ATOM 0 H CYS A 79 -3.332 8.226 -4.102 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.453 8.453 -2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.183 7.326 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.543 8.955 -1.431 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.430 7.606 0.959 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.556 10.849 -2.623 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.650 12.277 -2.902 1.00 0.00 C ATOM 1170 C VAL A 80 -6.423 13.001 -1.806 1.00 0.00 C ATOM 1171 O VAL A 80 -7.314 12.428 -1.178 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.332 12.541 -4.257 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.494 11.582 -4.466 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.800 13.986 -4.345 1.00 0.00 C ATOM 0 H VAL A 80 -6.440 10.411 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.630 12.660 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.604 12.370 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.964 11.784 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.126 10.556 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.226 11.718 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.280 14.155 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.513 14.187 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.944 14.653 -4.244 1.00 0.00 H new ATOM 1184 N CYS A 81 -6.077 14.264 -1.581 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.739 15.068 -0.560 1.00 0.00 C ATOM 1186 C CYS A 81 -7.413 16.287 -1.181 1.00 0.00 C ATOM 1187 O CYS A 81 -8.557 16.608 -0.860 1.00 0.00 O ATOM 1188 CB CYS A 81 -5.732 15.512 0.501 1.00 0.00 C ATOM 1189 SG CYS A 81 -6.482 16.289 1.952 1.00 0.00 S ATOM 0 H CYS A 81 -5.342 14.753 -2.092 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.505 14.453 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.155 14.646 0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.030 16.213 0.049 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.744 16.060 2.997 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.695 16.966 -2.071 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.239 18.144 -2.721 1.00 0.00 C ATOM 1197 C GLY A 82 -7.025 18.129 -4.221 1.00 0.00 C ATOM 1198 O GLY A 82 -7.897 17.696 -4.974 1.00 0.00 O ATOM 0 H GLY A 82 -5.746 16.721 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.306 18.211 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.774 19.035 -2.300 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.863 18.603 -4.657 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.539 18.645 -6.078 1.00 0.00 C ATOM 1204 C GLN A 83 -4.544 17.547 -6.441 1.00 0.00 C ATOM 1205 O GLN A 83 -4.652 16.925 -7.497 1.00 0.00 O ATOM 1206 CB GLN A 83 -4.967 20.013 -6.452 1.00 0.00 C ATOM 1207 CG GLN A 83 -4.582 20.131 -7.918 1.00 0.00 C ATOM 1208 CD GLN A 83 -5.786 20.261 -8.829 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -6.372 21.337 -8.953 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -6.163 19.163 -9.474 1.00 0.00 N ATOM 0 H GLN A 83 -5.130 18.964 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.458 18.478 -6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.702 20.782 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.089 20.211 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.935 20.998 -8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.004 19.254 -8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.649 18.292 -9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.967 19.191 -10.101 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.576 17.317 -5.560 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.562 16.295 -5.790 1.00 0.00 C ATOM 1221 C GLU A 84 -3.122 14.901 -5.520 1.00 0.00 C ATOM 1222 O GLU A 84 -3.817 14.681 -4.528 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.342 16.546 -4.901 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.508 17.740 -5.336 1.00 0.00 C ATOM 1225 CD GLU A 84 -1.156 19.064 -4.981 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -1.067 19.473 -3.805 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -1.753 19.692 -5.882 1.00 0.00 O ATOM 0 H GLU A 84 -3.473 17.824 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.259 16.350 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.676 16.701 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.714 15.655 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.474 17.683 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.349 17.695 -6.413 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.815 13.964 -6.411 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.289 12.592 -6.271 1.00 0.00 C ATOM 1236 C ARG A 85 -2.171 11.598 -6.568 1.00 0.00 C ATOM 1237 O ARG A 85 -1.717 11.477 -7.706 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.472 12.341 -7.208 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.973 10.906 -7.185 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.155 10.713 -8.122 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.801 10.987 -9.512 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.575 10.669 -10.544 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.740 10.068 -10.343 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -6.185 10.951 -11.780 1.00 0.00 N ATOM 0 H ARG A 85 -2.240 14.130 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.614 12.449 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.290 13.007 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.179 12.599 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.165 10.233 -7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.265 10.638 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.523 9.690 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.969 11.371 -7.819 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.911 11.448 -9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.044 9.849 -9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.332 9.825 -11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.290 11.413 -11.939 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.781 10.706 -12.571 1.00 0.00 H new ATOM 1258 N THR A 86 -1.730 10.886 -5.535 1.00 0.00 N ATOM 1259 CA THR A 86 -0.664 9.903 -5.684 1.00 0.00 C ATOM 1260 C THR A 86 -1.224 8.535 -6.055 1.00 0.00 C ATOM 1261 O THR A 86 -2.415 8.274 -5.882 1.00 0.00 O ATOM 1262 CB THR A 86 0.164 9.772 -4.391 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.326 8.971 -4.633 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.665 9.149 -3.278 1.00 0.00 C ATOM 0 H THR A 86 -2.095 10.972 -4.586 1.00 0.00 H new ATOM 0 HA THR A 86 -0.018 10.258 -6.487 1.00 0.00 H new ATOM 0 HB THR A 86 0.470 10.771 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.392 8.275 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.059 9.067 -2.376 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.533 9.776 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.997 8.157 -3.584 1.00 0.00 H new ATOM 1272 N SER A 87 -0.359 7.665 -6.566 1.00 0.00 N ATOM 1273 CA SER A 87 -0.770 6.324 -6.966 1.00 0.00 C ATOM 1274 C SER A 87 0.392 5.342 -6.847 1.00 0.00 C ATOM 1275 O SER A 87 1.556 5.726 -6.954 1.00 0.00 O ATOM 1276 CB SER A 87 -1.298 6.336 -8.401 1.00 0.00 C ATOM 1277 OG SER A 87 -0.397 7.000 -9.271 1.00 0.00 O ATOM 0 H SER A 87 0.630 7.864 -6.713 1.00 0.00 H new ATOM 0 HA SER A 87 -1.567 6.000 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.452 5.313 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.269 6.831 -8.431 1.00 0.00 H new ATOM 0 HG SER A 87 -0.757 6.992 -10.183 1.00 0.00 H new ATOM 1283 N ALA A 88 0.065 4.073 -6.625 1.00 0.00 N ATOM 1284 CA ALA A 88 1.080 3.035 -6.493 1.00 0.00 C ATOM 1285 C ALA A 88 0.479 1.650 -6.701 1.00 0.00 C ATOM 1286 O ALA A 88 -0.549 1.312 -6.113 1.00 0.00 O ATOM 1287 CB ALA A 88 1.750 3.122 -5.130 1.00 0.00 C ATOM 0 H ALA A 88 -0.894 3.739 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 88 1.831 3.196 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.506 2.341 -5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.223 4.098 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.002 2.990 -4.348 1.00 0.00 H new ATOM 1293 N THR A 89 1.125 0.850 -7.544 1.00 0.00 N ATOM 1294 CA THR A 89 0.653 -0.499 -7.832 1.00 0.00 C ATOM 1295 C THR A 89 1.027 -1.463 -6.712 1.00 0.00 C ATOM 1296 O THR A 89 2.155 -1.450 -6.218 1.00 0.00 O ATOM 1297 CB THR A 89 1.229 -1.024 -9.160 1.00 0.00 C ATOM 1298 OG1 THR A 89 0.708 -0.264 -10.255 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.893 -2.496 -9.351 1.00 0.00 C ATOM 0 H THR A 89 1.977 1.113 -8.039 1.00 0.00 H new ATOM 0 HA THR A 89 -0.433 -0.444 -7.912 1.00 0.00 H new ATOM 0 HB THR A 89 2.313 -0.916 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.081 -0.603 -11.095 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.310 -2.845 -10.296 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.317 -3.075 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.189 -2.624 -9.363 1.00 0.00 H new ATOM 1307 N LEU A 90 0.074 -2.299 -6.314 1.00 0.00 N ATOM 1308 CA LEU A 90 0.303 -3.272 -5.252 1.00 0.00 C ATOM 1309 C LEU A 90 0.597 -4.652 -5.831 1.00 0.00 C ATOM 1310 O LEU A 90 0.092 -5.011 -6.895 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.913 -3.342 -4.326 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.627 -3.706 -2.869 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.337 -2.455 -2.054 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.797 -4.474 -2.272 1.00 0.00 C ATOM 0 H LEU A 90 -0.865 -2.322 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 90 1.171 -2.948 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.416 -2.375 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.612 -4.073 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 90 0.255 -4.346 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.136 -2.733 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.532 -1.944 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.200 -1.790 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.576 -4.725 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.695 -3.858 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.959 -5.390 -2.840 1.00 0.00 H new ATOM 1326 N THR A 91 1.415 -5.424 -5.123 1.00 0.00 N ATOM 1327 CA THR A 91 1.775 -6.765 -5.566 1.00 0.00 C ATOM 1328 C THR A 91 1.541 -7.789 -4.462 1.00 0.00 C ATOM 1329 O THR A 91 2.284 -7.842 -3.482 1.00 0.00 O ATOM 1330 CB THR A 91 3.248 -6.833 -6.010 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.474 -5.931 -7.099 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.622 -8.247 -6.430 1.00 0.00 C ATOM 0 H THR A 91 1.841 -5.143 -4.240 1.00 0.00 H new ATOM 0 HA THR A 91 1.136 -7.000 -6.417 1.00 0.00 H new ATOM 0 HB THR A 91 3.873 -6.545 -5.165 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.413 -5.979 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.667 -8.270 -6.739 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.477 -8.926 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.990 -8.559 -7.262 1.00 0.00 H new ATOM 1340 N VAL A 92 0.503 -8.604 -4.627 1.00 0.00 N ATOM 1341 CA VAL A 92 0.172 -9.629 -3.645 1.00 0.00 C ATOM 1342 C VAL A 92 0.583 -11.013 -4.135 1.00 0.00 C ATOM 1343 O VAL A 92 0.071 -11.503 -5.142 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.334 -9.636 -3.326 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.645 -10.649 -2.235 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.799 -8.245 -2.921 1.00 0.00 C ATOM 0 H VAL A 92 -0.123 -8.574 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 92 0.726 -9.388 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.876 -9.929 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.714 -10.639 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.350 -11.644 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.094 -10.391 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.866 -8.268 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.251 -7.922 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.613 -7.547 -3.738 1.00 0.00 H new ATOM 1356 N ARG A 93 1.509 -11.639 -3.417 1.00 0.00 N ATOM 1357 CA ARG A 93 1.989 -12.967 -3.779 1.00 0.00 C ATOM 1358 C ARG A 93 1.083 -14.050 -3.200 1.00 0.00 C ATOM 1359 O ARG A 93 0.973 -14.196 -1.983 1.00 0.00 O ATOM 1360 CB ARG A 93 3.422 -13.168 -3.283 1.00 0.00 C ATOM 1361 CG ARG A 93 4.374 -12.062 -3.708 1.00 0.00 C ATOM 1362 CD ARG A 93 5.029 -12.373 -5.045 1.00 0.00 C ATOM 1363 NE ARG A 93 5.899 -13.543 -4.969 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.489 -14.090 -6.026 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.302 -13.576 -7.234 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.267 -15.154 -5.876 1.00 0.00 N ATOM 0 H ARG A 93 1.942 -11.248 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 93 1.973 -13.047 -4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.415 -13.232 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.796 -14.121 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.830 -11.120 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.143 -11.930 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.257 -12.543 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.609 -11.511 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 93 6.063 -13.963 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.704 -12.758 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.756 -13.998 -8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.413 -15.553 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.720 -15.573 -6.688 1.00 0.00 H new ATOM 1380 N ALA A 94 0.435 -14.805 -4.081 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.460 -15.875 -3.657 1.00 0.00 C ATOM 1382 C ALA A 94 0.266 -16.879 -2.768 1.00 0.00 C ATOM 1383 O ALA A 94 1.308 -17.418 -3.145 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.056 -16.575 -4.869 1.00 0.00 C ATOM 0 H ALA A 94 0.513 -14.696 -5.092 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.267 -15.431 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.722 -17.372 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.618 -15.856 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.255 -17.000 -5.474 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.289 -17.125 -1.586 1.00 0.00 N ATOM 1391 CA LEU A 95 0.306 -18.065 -0.642 1.00 0.00 C ATOM 1392 C LEU A 95 0.470 -19.443 -1.275 1.00 0.00 C ATOM 1393 O LEU A 95 -0.348 -19.883 -2.084 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.556 -18.168 0.617 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.441 -17.008 1.606 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.654 -16.965 2.522 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.840 -17.125 2.419 1.00 0.00 C ATOM 0 H LEU A 95 -1.150 -16.687 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 95 1.293 -17.692 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.599 -18.258 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.295 -19.090 1.137 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.405 -16.077 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.554 -16.133 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.556 -16.832 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.722 -17.899 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.905 -16.291 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.835 -18.063 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.699 -17.105 1.749 1.00 0.00 H new