USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.00823 X(o=0.0082,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.000306 K(o=-0.00031,f=-0.52) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 35:sc= 0.093 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0915 X(o=-0.091,f=-0.13) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -3.32! C(o=-3.3!,f=-6.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0087 X(o=0.0087,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.242 K(o=0.24,f=-3.7!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.64 F(o=-2.4!,f=-1.6) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.521 16.701 2.029 1.00 0.00 N ATOM 84 CA VAL A 2 -2.379 16.012 2.985 1.00 0.00 C ATOM 85 C VAL A 2 -1.889 14.591 3.238 1.00 0.00 C ATOM 86 O VAL A 2 -2.018 13.716 2.382 1.00 0.00 O ATOM 87 CB VAL A 2 -3.838 15.961 2.495 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.677 15.080 3.408 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.421 17.363 2.410 1.00 0.00 C ATOM 0 HA VAL A 2 -2.336 16.579 3.915 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.852 15.526 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.705 15.056 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.270 14.069 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.658 15.483 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.452 17.308 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.395 17.828 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.834 17.959 1.712 1.00 0.00 H new ATOM 99 N LYS A 3 -1.326 14.366 4.421 1.00 0.00 N ATOM 100 CA LYS A 3 -0.818 13.050 4.790 1.00 0.00 C ATOM 101 C LYS A 3 -1.948 12.028 4.850 1.00 0.00 C ATOM 102 O LYS A 3 -3.057 12.338 5.285 1.00 0.00 O ATOM 103 CB LYS A 3 -0.104 13.117 6.142 1.00 0.00 C ATOM 104 CG LYS A 3 0.807 11.931 6.408 1.00 0.00 C ATOM 105 CD LYS A 3 1.755 12.204 7.564 1.00 0.00 C ATOM 106 CE LYS A 3 2.114 10.925 8.304 1.00 0.00 C ATOM 107 NZ LYS A 3 3.256 11.127 9.239 1.00 0.00 N ATOM 0 H LYS A 3 -1.210 15.079 5.141 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.107 12.735 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.484 14.034 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.850 13.177 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.204 11.051 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.382 11.704 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.663 12.675 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.293 12.909 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.246 10.572 8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.368 10.147 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.470 10.232 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.091 11.439 8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.005 11.851 9.942 1.00 0.00 H new ATOM 121 N LEU A 4 -1.658 10.807 4.413 1.00 0.00 N ATOM 122 CA LEU A 4 -2.650 9.737 4.418 1.00 0.00 C ATOM 123 C LEU A 4 -2.124 8.511 5.157 1.00 0.00 C ATOM 124 O LEU A 4 -1.022 8.035 4.885 1.00 0.00 O ATOM 125 CB LEU A 4 -3.030 9.360 2.985 1.00 0.00 C ATOM 126 CG LEU A 4 -3.685 10.462 2.152 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.684 10.088 0.678 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.103 10.725 2.636 1.00 0.00 C ATOM 0 H LEU A 4 -0.745 10.533 4.051 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.537 10.099 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.130 9.027 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.709 8.508 3.023 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.105 11.377 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.154 10.884 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.657 9.951 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.240 9.161 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.554 11.512 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.694 9.814 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.079 11.038 3.680 1.00 0.00 H new ATOM 140 N PHE A 5 -2.921 8.003 6.092 1.00 0.00 N ATOM 141 CA PHE A 5 -2.536 6.831 6.869 1.00 0.00 C ATOM 142 C PHE A 5 -3.058 5.552 6.220 1.00 0.00 C ATOM 143 O PHE A 5 -4.256 5.415 5.970 1.00 0.00 O ATOM 144 CB PHE A 5 -3.069 6.944 8.299 1.00 0.00 C ATOM 145 CG PHE A 5 -2.986 5.660 9.073 1.00 0.00 C ATOM 146 CD1 PHE A 5 -3.892 4.637 8.842 1.00 0.00 C ATOM 147 CD2 PHE A 5 -2.002 5.475 10.031 1.00 0.00 C ATOM 148 CE1 PHE A 5 -3.818 3.454 9.554 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.923 4.294 10.745 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.832 3.282 10.506 1.00 0.00 C ATOM 0 H PHE A 5 -3.837 8.385 6.329 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.447 6.786 6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.508 7.714 8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.108 7.273 8.266 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.664 4.765 8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.288 6.263 10.222 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.531 2.665 9.366 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.151 4.163 11.489 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.772 2.358 11.062 1.00 0.00 H new ATOM 160 N ILE A 6 -2.150 4.621 5.949 1.00 0.00 N ATOM 161 CA ILE A 6 -2.518 3.354 5.329 1.00 0.00 C ATOM 162 C ILE A 6 -1.987 2.173 6.135 1.00 0.00 C ATOM 163 O ILE A 6 -0.780 1.948 6.205 1.00 0.00 O ATOM 164 CB ILE A 6 -1.986 3.257 3.887 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.318 4.533 3.111 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.570 2.038 3.188 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.735 4.561 1.715 1.00 0.00 C ATOM 0 H ILE A 6 -1.155 4.720 6.149 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.607 3.317 5.309 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.902 3.147 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.401 4.637 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.948 5.394 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.185 1.983 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.288 1.137 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.657 2.120 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.011 5.494 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.649 4.488 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.125 3.720 1.141 1.00 0.00 H new ATOM 179 N GLY A 7 -2.900 1.420 6.742 1.00 0.00 N ATOM 180 CA GLY A 7 -2.505 0.270 7.534 1.00 0.00 C ATOM 181 C GLY A 7 -2.895 -1.043 6.885 1.00 0.00 C ATOM 182 O GLY A 7 -3.650 -1.063 5.914 1.00 0.00 O ATOM 0 H GLY A 7 -3.905 1.586 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.426 0.290 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.966 0.336 8.519 1.00 0.00 H new ATOM 186 N ASN A 8 -2.377 -2.144 7.421 1.00 0.00 N ATOM 187 CA ASN A 8 -2.675 -3.467 6.886 1.00 0.00 C ATOM 188 C ASN A 8 -2.147 -3.609 5.461 1.00 0.00 C ATOM 189 O ASN A 8 -2.887 -3.970 4.546 1.00 0.00 O ATOM 190 CB ASN A 8 -4.183 -3.723 6.910 1.00 0.00 C ATOM 191 CG ASN A 8 -4.517 -5.194 7.062 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.348 -5.773 8.136 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.995 -5.807 5.985 1.00 0.00 N ATOM 0 H ASN A 8 -1.749 -2.146 8.225 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.178 -4.206 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.631 -3.165 7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.628 -3.345 5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.238 -6.797 6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.119 -5.288 5.116 1.00 0.00 H new ATOM 200 N LEU A 9 -0.862 -3.324 5.281 1.00 0.00 N ATOM 201 CA LEU A 9 -0.233 -3.420 3.969 1.00 0.00 C ATOM 202 C LEU A 9 0.475 -4.761 3.801 1.00 0.00 C ATOM 203 O LEU A 9 1.065 -5.301 4.737 1.00 0.00 O ATOM 204 CB LEU A 9 0.764 -2.276 3.774 1.00 0.00 C ATOM 205 CG LEU A 9 0.165 -0.873 3.681 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.264 0.178 3.692 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.689 -0.739 2.428 1.00 0.00 C ATOM 0 H LEU A 9 -0.235 -3.024 6.028 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.014 -3.345 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.472 -2.293 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.333 -2.468 2.864 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.473 -0.713 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.819 1.171 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.835 0.098 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.927 0.020 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.107 0.266 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.073 -0.920 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.499 -1.468 2.460 1.00 0.00 H new ATOM 219 N PRO A 10 0.417 -5.312 2.579 1.00 0.00 N ATOM 220 CA PRO A 10 1.049 -6.595 2.259 1.00 0.00 C ATOM 221 C PRO A 10 2.556 -6.465 2.058 1.00 0.00 C ATOM 222 O PRO A 10 3.116 -5.376 2.184 1.00 0.00 O ATOM 223 CB PRO A 10 0.369 -7.009 0.952 1.00 0.00 C ATOM 224 CG PRO A 10 -0.028 -5.725 0.308 1.00 0.00 C ATOM 225 CD PRO A 10 -0.269 -4.724 1.416 1.00 0.00 C ATOM 0 HA PRO A 10 0.931 -7.320 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.047 -7.578 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.498 -7.642 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.755 -5.374 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.928 -5.858 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.138 -3.744 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.333 -4.588 1.607 1.00 0.00 H new ATOM 233 N ARG A 11 3.205 -7.582 1.745 1.00 0.00 N ATOM 234 CA ARG A 11 4.646 -7.592 1.528 1.00 0.00 C ATOM 235 C ARG A 11 4.983 -7.177 0.099 1.00 0.00 C ATOM 236 O ARG A 11 6.045 -6.612 -0.159 1.00 0.00 O ATOM 237 CB ARG A 11 5.217 -8.982 1.815 1.00 0.00 C ATOM 238 CG ARG A 11 6.647 -8.959 2.329 1.00 0.00 C ATOM 239 CD ARG A 11 7.348 -10.287 2.084 1.00 0.00 C ATOM 240 NE ARG A 11 8.801 -10.162 2.169 1.00 0.00 N ATOM 241 CZ ARG A 11 9.476 -10.198 3.312 1.00 0.00 C ATOM 242 NH1 ARG A 11 8.833 -10.354 4.461 1.00 0.00 N ATOM 243 NH2 ARG A 11 10.798 -10.078 3.307 1.00 0.00 N ATOM 0 H ARG A 11 2.755 -8.491 1.636 1.00 0.00 H new ATOM 0 HA ARG A 11 5.096 -6.873 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.584 -9.481 2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.177 -9.577 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.199 -8.158 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.648 -8.737 3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.004 -11.019 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.074 -10.666 1.099 1.00 0.00 H new ATOM 0 HE ARG A 11 9.326 -10.040 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.817 -10.447 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.354 -10.381 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.296 -9.958 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.316 -10.106 4.185 1.00 0.00 H new ATOM 257 N GLU A 12 4.072 -7.463 -0.826 1.00 0.00 N ATOM 258 CA GLU A 12 4.274 -7.120 -2.229 1.00 0.00 C ATOM 259 C GLU A 12 4.142 -5.616 -2.446 1.00 0.00 C ATOM 260 O GLU A 12 4.793 -5.045 -3.320 1.00 0.00 O ATOM 261 CB GLU A 12 3.267 -7.864 -3.109 1.00 0.00 C ATOM 262 CG GLU A 12 3.547 -9.353 -3.229 1.00 0.00 C ATOM 263 CD GLU A 12 2.877 -9.977 -4.438 1.00 0.00 C ATOM 264 OE1 GLU A 12 2.874 -9.338 -5.511 1.00 0.00 O ATOM 265 OE2 GLU A 12 2.356 -11.104 -4.310 1.00 0.00 O ATOM 0 H GLU A 12 3.187 -7.931 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 12 5.283 -7.422 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.266 -7.723 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.270 -7.421 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.623 -9.513 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.202 -9.858 -2.326 1.00 0.00 H new ATOM 272 N ALA A 13 3.294 -4.981 -1.644 1.00 0.00 N ATOM 273 CA ALA A 13 3.076 -3.543 -1.747 1.00 0.00 C ATOM 274 C ALA A 13 4.397 -2.799 -1.917 1.00 0.00 C ATOM 275 O ALA A 13 5.381 -3.095 -1.239 1.00 0.00 O ATOM 276 CB ALA A 13 2.335 -3.032 -0.520 1.00 0.00 C ATOM 0 H ALA A 13 2.747 -5.440 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 13 2.466 -3.355 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.179 -1.957 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.370 -3.533 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.924 -3.239 0.373 1.00 0.00 H new ATOM 282 N THR A 14 4.412 -1.831 -2.828 1.00 0.00 N ATOM 283 CA THR A 14 5.612 -1.045 -3.089 1.00 0.00 C ATOM 284 C THR A 14 5.292 0.444 -3.148 1.00 0.00 C ATOM 285 O THR A 14 4.234 0.841 -3.635 1.00 0.00 O ATOM 286 CB THR A 14 6.283 -1.468 -4.409 1.00 0.00 C ATOM 287 OG1 THR A 14 5.327 -1.445 -5.474 1.00 0.00 O ATOM 288 CG2 THR A 14 6.884 -2.861 -4.289 1.00 0.00 C ATOM 0 H THR A 14 3.606 -1.572 -3.398 1.00 0.00 H new ATOM 0 HA THR A 14 6.299 -1.233 -2.264 1.00 0.00 H new ATOM 0 HB THR A 14 7.084 -0.762 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.762 -1.714 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.352 -3.138 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.633 -2.867 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.098 -3.577 -4.050 1.00 0.00 H new ATOM 296 N GLU A 15 6.213 1.263 -2.650 1.00 0.00 N ATOM 297 CA GLU A 15 6.027 2.709 -2.647 1.00 0.00 C ATOM 298 C GLU A 15 5.335 3.171 -3.927 1.00 0.00 C ATOM 299 O GLU A 15 4.423 3.996 -3.887 1.00 0.00 O ATOM 300 CB GLU A 15 7.375 3.418 -2.499 1.00 0.00 C ATOM 301 CG GLU A 15 7.839 3.548 -1.058 1.00 0.00 C ATOM 302 CD GLU A 15 9.256 4.078 -0.947 1.00 0.00 C ATOM 303 OE1 GLU A 15 10.183 3.399 -1.437 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.438 5.170 -0.371 1.00 0.00 O ATOM 0 H GLU A 15 7.095 0.950 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 15 5.393 2.967 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.128 2.871 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.303 4.412 -2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.163 4.214 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.780 2.574 -0.572 1.00 0.00 H new ATOM 311 N GLN A 16 5.777 2.633 -5.059 1.00 0.00 N ATOM 312 CA GLN A 16 5.201 2.991 -6.350 1.00 0.00 C ATOM 313 C GLN A 16 3.735 2.580 -6.424 1.00 0.00 C ATOM 314 O GLN A 16 2.848 3.427 -6.527 1.00 0.00 O ATOM 315 CB GLN A 16 5.987 2.330 -7.483 1.00 0.00 C ATOM 316 CG GLN A 16 5.610 2.842 -8.864 1.00 0.00 C ATOM 317 CD GLN A 16 5.796 1.796 -9.946 1.00 0.00 C ATOM 318 OE1 GLN A 16 6.593 0.868 -9.797 1.00 0.00 O ATOM 319 NE2 GLN A 16 5.061 1.939 -11.042 1.00 0.00 N ATOM 0 H GLN A 16 6.531 1.948 -5.109 1.00 0.00 H new ATOM 0 HA GLN A 16 5.261 4.074 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.052 2.497 -7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.824 1.253 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.570 3.168 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.216 3.716 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.413 2.723 -11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.144 1.265 -11.803 1.00 0.00 H new ATOM 328 N GLU A 17 3.488 1.275 -6.373 1.00 0.00 N ATOM 329 CA GLU A 17 2.128 0.753 -6.436 1.00 0.00 C ATOM 330 C GLU A 17 1.158 1.669 -5.695 1.00 0.00 C ATOM 331 O GLU A 17 0.084 1.993 -6.202 1.00 0.00 O ATOM 332 CB GLU A 17 2.071 -0.656 -5.841 1.00 0.00 C ATOM 333 CG GLU A 17 2.418 -1.751 -6.835 1.00 0.00 C ATOM 334 CD GLU A 17 1.207 -2.249 -7.600 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.619 -1.454 -8.363 1.00 0.00 O ATOM 336 OE2 GLU A 17 0.847 -3.434 -7.437 1.00 0.00 O ATOM 0 H GLU A 17 4.211 0.561 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 17 1.831 0.710 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.758 -0.713 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.070 -0.836 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.159 -1.375 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.877 -2.586 -6.305 1.00 0.00 H new ATOM 343 N ILE A 18 1.545 2.083 -4.493 1.00 0.00 N ATOM 344 CA ILE A 18 0.711 2.962 -3.683 1.00 0.00 C ATOM 345 C ILE A 18 0.636 4.359 -4.288 1.00 0.00 C ATOM 346 O ILE A 18 -0.452 4.889 -4.519 1.00 0.00 O ATOM 347 CB ILE A 18 1.239 3.067 -2.240 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.343 1.677 -1.609 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.335 3.965 -1.409 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.001 1.029 -1.349 1.00 0.00 C ATOM 0 H ILE A 18 2.431 1.824 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.286 2.522 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 18 2.235 3.510 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.928 1.032 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.889 1.754 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.721 4.029 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.307 4.961 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.672 3.549 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.152 0.047 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.579 1.653 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.539 0.920 -2.290 1.00 0.00 H new ATOM 362 N ARG A 19 1.798 4.951 -4.544 1.00 0.00 N ATOM 363 CA ARG A 19 1.864 6.287 -5.123 1.00 0.00 C ATOM 364 C ARG A 19 0.934 6.404 -6.327 1.00 0.00 C ATOM 365 O ARG A 19 0.188 7.375 -6.456 1.00 0.00 O ATOM 366 CB ARG A 19 3.299 6.615 -5.539 1.00 0.00 C ATOM 367 CG ARG A 19 3.440 7.963 -6.228 1.00 0.00 C ATOM 368 CD ARG A 19 4.667 8.004 -7.125 1.00 0.00 C ATOM 369 NE ARG A 19 5.857 8.451 -6.405 1.00 0.00 N ATOM 370 CZ ARG A 19 7.097 8.159 -6.781 1.00 0.00 C ATOM 371 NH1 ARG A 19 7.309 7.423 -7.863 1.00 0.00 N ATOM 372 NH2 ARG A 19 8.128 8.602 -6.073 1.00 0.00 N ATOM 0 H ARG A 19 2.707 4.526 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 19 1.541 7.001 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.937 6.599 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.662 5.835 -6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.548 8.165 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.510 8.751 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.846 7.012 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.479 8.672 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 19 5.729 9.019 -5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.519 7.080 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.262 7.200 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.969 9.167 -5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.080 8.377 -6.363 1.00 0.00 H new ATOM 386 N SER A 20 0.985 5.409 -7.207 1.00 0.00 N ATOM 387 CA SER A 20 0.151 5.402 -8.403 1.00 0.00 C ATOM 388 C SER A 20 -1.329 5.393 -8.033 1.00 0.00 C ATOM 389 O SER A 20 -2.091 6.267 -8.450 1.00 0.00 O ATOM 390 CB SER A 20 0.478 4.186 -9.272 1.00 0.00 C ATOM 391 OG SER A 20 0.090 4.402 -10.618 1.00 0.00 O ATOM 0 H SER A 20 1.595 4.597 -7.114 1.00 0.00 H new ATOM 0 HA SER A 20 0.361 6.310 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.547 3.980 -9.227 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.033 3.307 -8.880 1.00 0.00 H new ATOM 0 HG SER A 20 0.311 3.611 -11.153 1.00 0.00 H new ATOM 397 N LEU A 21 -1.730 4.400 -7.247 1.00 0.00 N ATOM 398 CA LEU A 21 -3.119 4.276 -6.819 1.00 0.00 C ATOM 399 C LEU A 21 -3.691 5.634 -6.423 1.00 0.00 C ATOM 400 O LEU A 21 -4.877 5.900 -6.616 1.00 0.00 O ATOM 401 CB LEU A 21 -3.227 3.303 -5.644 1.00 0.00 C ATOM 402 CG LEU A 21 -3.092 1.819 -5.988 1.00 0.00 C ATOM 403 CD1 LEU A 21 -2.987 0.985 -4.720 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.269 1.358 -6.835 1.00 0.00 C ATOM 0 H LEU A 21 -1.113 3.669 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.698 3.889 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.458 3.558 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.190 3.457 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.178 1.682 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.892 -0.068 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.111 1.297 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.883 1.128 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.156 0.300 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.196 1.510 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.299 1.934 -7.760 1.00 0.00 H new ATOM 416 N PHE A 22 -2.838 6.490 -5.871 1.00 0.00 N ATOM 417 CA PHE A 22 -3.258 7.822 -5.449 1.00 0.00 C ATOM 418 C PHE A 22 -3.110 8.825 -6.589 1.00 0.00 C ATOM 419 O PHE A 22 -3.825 9.825 -6.645 1.00 0.00 O ATOM 420 CB PHE A 22 -2.437 8.280 -4.242 1.00 0.00 C ATOM 421 CG PHE A 22 -2.859 7.639 -2.951 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.000 8.067 -2.291 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.117 6.608 -2.398 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.391 7.479 -1.102 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.503 6.016 -1.210 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.642 6.452 -0.562 1.00 0.00 C ATOM 0 H PHE A 22 -1.852 6.286 -5.705 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.310 7.772 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.385 8.057 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.521 9.362 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.590 8.869 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.226 6.263 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.281 7.823 -0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.915 5.214 -0.789 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.947 5.990 0.366 1.00 0.00 H new ATOM 436 N GLU A 23 -2.177 8.550 -7.495 1.00 0.00 N ATOM 437 CA GLU A 23 -1.935 9.429 -8.633 1.00 0.00 C ATOM 438 C GLU A 23 -3.157 9.487 -9.545 1.00 0.00 C ATOM 439 O GLU A 23 -3.243 10.338 -10.430 1.00 0.00 O ATOM 440 CB GLU A 23 -0.716 8.951 -9.424 1.00 0.00 C ATOM 441 CG GLU A 23 0.610 9.336 -8.791 1.00 0.00 C ATOM 442 CD GLU A 23 1.113 10.686 -9.264 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.664 11.145 -10.335 1.00 0.00 O ATOM 444 OE2 GLU A 23 1.956 11.284 -8.563 1.00 0.00 O ATOM 0 H GLU A 23 -1.577 7.726 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.741 10.431 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.760 7.866 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.762 9.365 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.499 9.353 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.354 8.574 -9.023 1.00 0.00 H new ATOM 451 N GLN A 24 -4.098 8.575 -9.323 1.00 0.00 N ATOM 452 CA GLN A 24 -5.314 8.522 -10.126 1.00 0.00 C ATOM 453 C GLN A 24 -6.358 9.500 -9.598 1.00 0.00 C ATOM 454 O GLN A 24 -7.276 9.893 -10.318 1.00 0.00 O ATOM 455 CB GLN A 24 -5.884 7.103 -10.132 1.00 0.00 C ATOM 456 CG GLN A 24 -4.938 6.070 -10.722 1.00 0.00 C ATOM 457 CD GLN A 24 -5.495 4.661 -10.654 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.678 4.003 -11.679 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.769 4.191 -9.443 1.00 0.00 N ATOM 0 H GLN A 24 -4.042 7.863 -8.594 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.059 8.808 -11.146 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.131 6.815 -9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.815 7.097 -10.699 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.731 6.325 -11.761 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.988 6.107 -10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.602 4.771 -8.621 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.147 3.250 -9.335 1.00 0.00 H new ATOM 468 N TYR A 25 -6.213 9.888 -8.336 1.00 0.00 N ATOM 469 CA TYR A 25 -7.145 10.818 -7.710 1.00 0.00 C ATOM 470 C TYR A 25 -6.428 12.084 -7.252 1.00 0.00 C ATOM 471 O TYR A 25 -6.994 12.909 -6.536 1.00 0.00 O ATOM 472 CB TYR A 25 -7.840 10.154 -6.520 1.00 0.00 C ATOM 473 CG TYR A 25 -8.313 8.746 -6.804 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.436 7.671 -6.738 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.638 8.492 -7.137 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.864 6.383 -6.998 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.075 7.207 -7.397 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.184 6.156 -7.326 1.00 0.00 C ATOM 479 OH TYR A 25 -9.614 4.875 -7.584 1.00 0.00 O ATOM 0 H TYR A 25 -5.459 9.573 -7.726 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.894 11.095 -8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.153 10.134 -5.674 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.694 10.762 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.402 7.845 -6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.338 9.313 -7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.168 5.559 -6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.108 7.026 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.570 4.888 -7.798 1.00 0.00 H new ATOM 489 N GLY A 26 -5.175 12.231 -7.672 1.00 0.00 N ATOM 490 CA GLY A 26 -4.398 13.399 -7.297 1.00 0.00 C ATOM 491 C GLY A 26 -2.911 13.111 -7.234 1.00 0.00 C ATOM 492 O GLY A 26 -2.499 12.019 -6.842 1.00 0.00 O ATOM 0 H GLY A 26 -4.684 11.562 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.580 14.198 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.736 13.760 -6.326 1.00 0.00 H new ATOM 496 N LYS A 27 -2.104 14.091 -7.623 1.00 0.00 N ATOM 497 CA LYS A 27 -0.654 13.939 -7.611 1.00 0.00 C ATOM 498 C LYS A 27 -0.152 13.626 -6.205 1.00 0.00 C ATOM 499 O LYS A 27 -0.672 14.148 -5.219 1.00 0.00 O ATOM 500 CB LYS A 27 0.018 15.211 -8.132 1.00 0.00 C ATOM 501 CG LYS A 27 1.450 14.999 -8.592 1.00 0.00 C ATOM 502 CD LYS A 27 2.014 16.245 -9.254 1.00 0.00 C ATOM 503 CE LYS A 27 2.681 17.161 -8.239 1.00 0.00 C ATOM 504 NZ LYS A 27 3.784 17.955 -8.849 1.00 0.00 N ATOM 0 H LYS A 27 -2.430 15.000 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.396 13.106 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.567 15.606 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.006 15.966 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.071 14.727 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.488 14.165 -9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.737 15.957 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.213 16.783 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.938 17.837 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.075 16.565 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.213 18.566 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.506 17.311 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.404 18.543 -9.618 1.00 0.00 H new ATOM 518 N VAL A 28 0.863 12.772 -6.120 1.00 0.00 N ATOM 519 CA VAL A 28 1.437 12.392 -4.834 1.00 0.00 C ATOM 520 C VAL A 28 2.734 13.148 -4.567 1.00 0.00 C ATOM 521 O VAL A 28 3.531 13.378 -5.478 1.00 0.00 O ATOM 522 CB VAL A 28 1.715 10.878 -4.769 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.626 10.553 -3.595 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.411 10.101 -4.675 1.00 0.00 C ATOM 0 H VAL A 28 1.305 12.330 -6.926 1.00 0.00 H new ATOM 0 HA VAL A 28 0.704 12.652 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 28 2.223 10.579 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.811 9.479 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.572 11.082 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.148 10.865 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.626 9.033 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.127 10.401 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.202 10.311 -5.552 1.00 0.00 H new ATOM 534 N LEU A 29 2.941 13.531 -3.312 1.00 0.00 N ATOM 535 CA LEU A 29 4.142 14.261 -2.922 1.00 0.00 C ATOM 536 C LEU A 29 5.148 13.334 -2.246 1.00 0.00 C ATOM 537 O LEU A 29 6.323 13.308 -2.609 1.00 0.00 O ATOM 538 CB LEU A 29 3.781 15.412 -1.983 1.00 0.00 C ATOM 539 CG LEU A 29 2.656 16.334 -2.453 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.550 17.552 -1.548 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.881 16.758 -3.897 1.00 0.00 C ATOM 0 H LEU A 29 2.292 13.348 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 29 4.599 14.667 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.500 14.992 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.674 16.015 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 29 1.716 15.784 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.744 18.197 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.340 17.230 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.490 18.103 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.070 17.414 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.830 17.289 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.905 15.875 -4.536 1.00 0.00 H new ATOM 553 N GLU A 30 4.675 12.573 -1.264 1.00 0.00 N ATOM 554 CA GLU A 30 5.534 11.643 -0.539 1.00 0.00 C ATOM 555 C GLU A 30 4.855 10.286 -0.381 1.00 0.00 C ATOM 556 O GLU A 30 3.627 10.194 -0.343 1.00 0.00 O ATOM 557 CB GLU A 30 5.890 12.210 0.837 1.00 0.00 C ATOM 558 CG GLU A 30 7.006 11.454 1.537 1.00 0.00 C ATOM 559 CD GLU A 30 7.239 11.938 2.955 1.00 0.00 C ATOM 560 OE1 GLU A 30 6.761 13.041 3.292 1.00 0.00 O ATOM 561 OE2 GLU A 30 7.899 11.212 3.728 1.00 0.00 O ATOM 0 H GLU A 30 3.704 12.582 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 30 6.449 11.508 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.184 13.254 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.001 12.195 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.764 10.391 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.927 11.562 0.964 1.00 0.00 H new ATOM 568 N CYS A 31 5.662 9.234 -0.290 1.00 0.00 N ATOM 569 CA CYS A 31 5.140 7.881 -0.138 1.00 0.00 C ATOM 570 C CYS A 31 6.161 6.978 0.545 1.00 0.00 C ATOM 571 O CYS A 31 7.218 6.684 -0.015 1.00 0.00 O ATOM 572 CB CYS A 31 4.760 7.302 -1.502 1.00 0.00 C ATOM 573 SG CYS A 31 6.154 7.119 -2.640 1.00 0.00 S ATOM 0 H CYS A 31 6.680 9.293 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 31 4.249 7.930 0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.295 6.327 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.011 7.946 -1.962 1.00 0.00 H new ATOM 0 HG CYS A 31 7.223 6.807 -1.970 1.00 0.00 H new ATOM 579 N ASP A 32 5.841 6.542 1.758 1.00 0.00 N ATOM 580 CA ASP A 32 6.731 5.673 2.519 1.00 0.00 C ATOM 581 C ASP A 32 5.995 4.424 2.994 1.00 0.00 C ATOM 582 O ASP A 32 4.765 4.379 2.995 1.00 0.00 O ATOM 583 CB ASP A 32 7.311 6.425 3.717 1.00 0.00 C ATOM 584 CG ASP A 32 8.590 7.163 3.374 1.00 0.00 C ATOM 585 OD1 ASP A 32 8.563 7.992 2.440 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.617 6.912 4.038 1.00 0.00 O ATOM 0 H ASP A 32 4.971 6.776 2.236 1.00 0.00 H new ATOM 0 HA ASP A 32 7.546 5.365 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.573 7.136 4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.507 5.720 4.524 1.00 0.00 H new ATOM 591 N ILE A 33 6.757 3.411 3.394 1.00 0.00 N ATOM 592 CA ILE A 33 6.177 2.162 3.871 1.00 0.00 C ATOM 593 C ILE A 33 7.009 1.566 5.001 1.00 0.00 C ATOM 594 O ILE A 33 8.083 1.010 4.769 1.00 0.00 O ATOM 595 CB ILE A 33 6.058 1.127 2.736 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.241 1.701 1.577 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.425 -0.156 3.253 1.00 0.00 C ATOM 598 CD1 ILE A 33 5.209 0.806 0.358 1.00 0.00 C ATOM 0 H ILE A 33 7.777 3.431 3.397 1.00 0.00 H new ATOM 0 HA ILE A 33 5.180 2.399 4.242 1.00 0.00 H new ATOM 0 HB ILE A 33 7.058 0.894 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.220 1.877 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.655 2.669 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.348 -0.877 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.043 -0.572 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.430 0.060 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.612 1.277 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.225 0.650 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.767 -0.154 0.623 1.00 0.00 H new ATOM 610 N ILE A 34 6.505 1.684 6.225 1.00 0.00 N ATOM 611 CA ILE A 34 7.200 1.155 7.392 1.00 0.00 C ATOM 612 C ILE A 34 6.214 0.608 8.418 1.00 0.00 C ATOM 613 O ILE A 34 5.061 1.036 8.478 1.00 0.00 O ATOM 614 CB ILE A 34 8.077 2.230 8.061 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.770 3.087 7.000 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.103 1.581 8.978 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.252 4.422 7.522 1.00 0.00 C ATOM 0 H ILE A 34 5.618 2.141 6.434 1.00 0.00 H new ATOM 0 HA ILE A 34 7.839 0.346 7.038 1.00 0.00 H new ATOM 0 HB ILE A 34 7.438 2.876 8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.619 2.535 6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.079 3.257 6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.715 2.353 9.443 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.590 1.010 9.751 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.740 0.914 8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.733 4.976 6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.404 4.993 7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.967 4.261 8.328 1.00 0.00 H new ATOM 629 N LYS A 35 6.675 -0.341 9.226 1.00 0.00 N ATOM 630 CA LYS A 35 5.836 -0.946 10.254 1.00 0.00 C ATOM 631 C LYS A 35 4.510 -1.417 9.665 1.00 0.00 C ATOM 632 O LYS A 35 3.443 -1.130 10.207 1.00 0.00 O ATOM 633 CB LYS A 35 5.578 0.053 11.384 1.00 0.00 C ATOM 634 CG LYS A 35 6.747 0.203 12.342 1.00 0.00 C ATOM 635 CD LYS A 35 6.346 0.957 13.598 1.00 0.00 C ATOM 636 CE LYS A 35 7.563 1.382 14.406 1.00 0.00 C ATOM 637 NZ LYS A 35 7.285 2.588 15.235 1.00 0.00 N ATOM 0 H LYS A 35 7.626 -0.708 9.189 1.00 0.00 H new ATOM 0 HA LYS A 35 6.363 -1.811 10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.347 1.026 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.698 -0.264 11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.125 -0.783 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.561 0.730 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.764 1.837 13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.702 0.327 14.212 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.875 0.561 15.052 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.393 1.589 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.139 2.846 15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.012 3.379 14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.510 2.383 15.897 1.00 0.00 H new ATOM 651 N ASN A 36 4.585 -2.142 8.554 1.00 0.00 N ATOM 652 CA ASN A 36 3.390 -2.654 7.893 1.00 0.00 C ATOM 653 C ASN A 36 2.390 -1.531 7.631 1.00 0.00 C ATOM 654 O ASN A 36 1.179 -1.755 7.619 1.00 0.00 O ATOM 655 CB ASN A 36 2.738 -3.745 8.745 1.00 0.00 C ATOM 656 CG ASN A 36 3.753 -4.535 9.548 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.717 -5.068 8.999 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.539 -4.614 10.857 1.00 0.00 N ATOM 0 H ASN A 36 5.461 -2.388 8.092 1.00 0.00 H new ATOM 0 HA ASN A 36 3.689 -3.081 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.017 -3.290 9.424 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.182 -4.424 8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.188 -5.132 11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.726 -4.156 11.269 1.00 0.00 H new ATOM 665 N TYR A 37 2.905 -0.325 7.423 1.00 0.00 N ATOM 666 CA TYR A 37 2.058 0.833 7.163 1.00 0.00 C ATOM 667 C TYR A 37 2.719 1.778 6.164 1.00 0.00 C ATOM 668 O TYR A 37 3.941 1.802 6.029 1.00 0.00 O ATOM 669 CB TYR A 37 1.761 1.577 8.466 1.00 0.00 C ATOM 670 CG TYR A 37 2.863 2.523 8.888 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.186 3.632 8.116 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.581 2.307 10.057 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.192 4.499 8.496 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.588 3.170 10.447 1.00 0.00 C ATOM 675 CZ TYR A 37 4.889 4.264 9.663 1.00 0.00 C ATOM 676 OH TYR A 37 5.892 5.124 10.046 1.00 0.00 O ATOM 0 H TYR A 37 3.905 -0.123 7.429 1.00 0.00 H new ATOM 0 HA TYR A 37 1.121 0.477 6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.835 2.140 8.350 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.594 0.849 9.260 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.641 3.820 7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.349 1.450 10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.431 5.356 7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.136 2.989 11.360 1.00 0.00 H new ATOM 0 HH TYR A 37 6.282 4.817 10.891 1.00 0.00 H new ATOM 686 N GLY A 38 1.899 2.558 5.466 1.00 0.00 N ATOM 687 CA GLY A 38 2.420 3.495 4.488 1.00 0.00 C ATOM 688 C GLY A 38 1.775 4.863 4.595 1.00 0.00 C ATOM 689 O GLY A 38 0.600 4.977 4.943 1.00 0.00 O ATOM 0 H GLY A 38 0.883 2.558 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.497 3.593 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.258 3.098 3.486 1.00 0.00 H new ATOM 693 N PHE A 39 2.546 5.904 4.296 1.00 0.00 N ATOM 694 CA PHE A 39 2.043 7.271 4.362 1.00 0.00 C ATOM 695 C PHE A 39 2.080 7.932 2.987 1.00 0.00 C ATOM 696 O PHE A 39 3.139 8.045 2.369 1.00 0.00 O ATOM 697 CB PHE A 39 2.866 8.092 5.357 1.00 0.00 C ATOM 698 CG PHE A 39 2.643 7.697 6.789 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.364 7.450 7.263 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.712 7.572 7.662 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.156 7.086 8.580 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.509 7.208 8.980 1.00 0.00 C ATOM 703 CZ PHE A 39 2.230 6.966 9.439 1.00 0.00 C ATOM 0 H PHE A 39 3.521 5.827 4.006 1.00 0.00 H new ATOM 0 HA PHE A 39 1.007 7.234 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.924 7.983 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.620 9.147 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.520 7.543 6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.715 7.761 7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.155 6.896 8.937 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.351 7.113 9.650 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.070 6.683 10.469 1.00 0.00 H new ATOM 713 N VAL A 40 0.916 8.366 2.514 1.00 0.00 N ATOM 714 CA VAL A 40 0.815 9.015 1.213 1.00 0.00 C ATOM 715 C VAL A 40 0.306 10.446 1.351 1.00 0.00 C ATOM 716 O VAL A 40 -0.775 10.682 1.892 1.00 0.00 O ATOM 717 CB VAL A 40 -0.122 8.238 0.269 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.355 9.019 -1.015 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.449 6.860 -0.032 1.00 0.00 C ATOM 0 H VAL A 40 0.030 8.280 3.012 1.00 0.00 H new ATOM 0 HA VAL A 40 1.818 9.028 0.787 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.083 8.108 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.019 8.454 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.810 9.981 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.597 9.183 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.226 6.325 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.423 6.966 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.559 6.301 0.897 1.00 0.00 H new ATOM 729 N HIS A 41 1.091 11.398 0.858 1.00 0.00 N ATOM 730 CA HIS A 41 0.720 12.807 0.925 1.00 0.00 C ATOM 731 C HIS A 41 0.195 13.295 -0.422 1.00 0.00 C ATOM 732 O HIS A 41 0.967 13.527 -1.353 1.00 0.00 O ATOM 733 CB HIS A 41 1.919 13.652 1.355 1.00 0.00 C ATOM 734 CG HIS A 41 2.480 13.261 2.688 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.010 12.015 2.945 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.594 13.962 3.840 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.423 11.964 4.198 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.183 13.134 4.764 1.00 0.00 N ATOM 0 H HIS A 41 1.989 11.219 0.407 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.074 12.914 1.665 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.702 13.567 0.601 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.621 14.700 1.389 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.073 11.251 2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.280 14.983 4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.879 11.111 4.679 1.00 0.00 H new ATOM 746 N ILE A 42 -1.122 13.449 -0.518 1.00 0.00 N ATOM 747 CA ILE A 42 -1.749 13.910 -1.750 1.00 0.00 C ATOM 748 C ILE A 42 -1.605 15.420 -1.908 1.00 0.00 C ATOM 749 O ILE A 42 -1.371 16.136 -0.935 1.00 0.00 O ATOM 750 CB ILE A 42 -3.243 13.540 -1.794 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.810 13.783 -3.194 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.017 14.339 -0.757 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.090 13.025 -3.468 1.00 0.00 C ATOM 0 H ILE A 42 -1.775 13.261 0.243 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.236 13.411 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.347 12.481 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.994 14.850 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.063 13.497 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.071 14.066 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.626 14.120 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.909 15.404 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.434 13.245 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.907 11.955 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.853 13.328 -2.751 1.00 0.00 H new ATOM 765 N GLU A 43 -1.750 15.897 -3.141 1.00 0.00 N ATOM 766 CA GLU A 43 -1.637 17.323 -3.426 1.00 0.00 C ATOM 767 C GLU A 43 -2.585 18.130 -2.543 1.00 0.00 C ATOM 768 O GLU A 43 -2.159 18.780 -1.589 1.00 0.00 O ATOM 769 CB GLU A 43 -1.939 17.596 -4.900 1.00 0.00 C ATOM 770 CG GLU A 43 -2.523 18.975 -5.157 1.00 0.00 C ATOM 771 CD GLU A 43 -2.290 19.452 -6.577 1.00 0.00 C ATOM 772 OE1 GLU A 43 -1.145 19.838 -6.892 1.00 0.00 O ATOM 773 OE2 GLU A 43 -3.252 19.441 -7.373 1.00 0.00 O ATOM 0 H GLU A 43 -1.946 15.318 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.614 17.632 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.020 17.487 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.636 16.842 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.594 18.955 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.081 19.688 -4.461 1.00 0.00 H new ATOM 780 N ASP A 44 -3.872 18.083 -2.870 1.00 0.00 N ATOM 781 CA ASP A 44 -4.881 18.809 -2.108 1.00 0.00 C ATOM 782 C ASP A 44 -5.692 17.857 -1.234 1.00 0.00 C ATOM 783 O ASP A 44 -5.445 16.651 -1.216 1.00 0.00 O ATOM 784 CB ASP A 44 -5.812 19.573 -3.052 1.00 0.00 C ATOM 785 CG ASP A 44 -5.148 20.794 -3.658 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.364 21.457 -2.947 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.412 21.086 -4.843 1.00 0.00 O ATOM 0 H ASP A 44 -4.241 17.550 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.369 19.521 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.140 18.908 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.704 19.881 -2.507 1.00 0.00 H new ATOM 792 N LYS A 45 -6.660 18.407 -0.510 1.00 0.00 N ATOM 793 CA LYS A 45 -7.508 17.608 0.367 1.00 0.00 C ATOM 794 C LYS A 45 -8.635 16.946 -0.421 1.00 0.00 C ATOM 795 O LYS A 45 -8.680 15.722 -0.551 1.00 0.00 O ATOM 796 CB LYS A 45 -8.094 18.481 1.479 1.00 0.00 C ATOM 797 CG LYS A 45 -8.808 17.690 2.561 1.00 0.00 C ATOM 798 CD LYS A 45 -8.996 18.516 3.823 1.00 0.00 C ATOM 799 CE LYS A 45 -9.670 17.709 4.922 1.00 0.00 C ATOM 800 NZ LYS A 45 -11.152 17.696 4.771 1.00 0.00 N ATOM 0 H LYS A 45 -6.877 19.404 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.892 16.827 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.292 19.061 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.793 19.193 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.780 17.362 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.236 16.792 2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.027 18.872 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.597 19.397 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.294 16.686 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.408 18.128 5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.574 17.136 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.514 18.670 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.404 17.273 3.855 1.00 0.00 H new ATOM 814 N THR A 46 -9.542 17.763 -0.947 1.00 0.00 N ATOM 815 CA THR A 46 -10.668 17.257 -1.723 1.00 0.00 C ATOM 816 C THR A 46 -10.258 16.053 -2.565 1.00 0.00 C ATOM 817 O THR A 46 -11.065 15.161 -2.822 1.00 0.00 O ATOM 818 CB THR A 46 -11.246 18.343 -2.648 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.806 19.405 -1.867 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.314 17.763 -3.563 1.00 0.00 C ATOM 0 H THR A 46 -9.519 18.778 -0.850 1.00 0.00 H new ATOM 0 HA THR A 46 -11.434 16.954 -1.009 1.00 0.00 H new ATOM 0 HB THR A 46 -10.435 18.733 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.170 20.093 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.707 18.549 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.878 16.975 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.123 17.348 -2.961 1.00 0.00 H new ATOM 828 N ALA A 47 -9.000 16.035 -2.990 1.00 0.00 N ATOM 829 CA ALA A 47 -8.483 14.940 -3.801 1.00 0.00 C ATOM 830 C ALA A 47 -8.474 13.633 -3.016 1.00 0.00 C ATOM 831 O ALA A 47 -8.942 12.603 -3.501 1.00 0.00 O ATOM 832 CB ALA A 47 -7.084 15.267 -4.301 1.00 0.00 C ATOM 0 H ALA A 47 -8.319 16.767 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.143 14.814 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.711 14.440 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.116 16.173 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.421 15.423 -3.450 1.00 0.00 H new ATOM 838 N ALA A 48 -7.937 13.681 -1.801 1.00 0.00 N ATOM 839 CA ALA A 48 -7.868 12.501 -0.948 1.00 0.00 C ATOM 840 C ALA A 48 -9.226 11.815 -0.851 1.00 0.00 C ATOM 841 O ALA A 48 -9.350 10.622 -1.126 1.00 0.00 O ATOM 842 CB ALA A 48 -7.365 12.879 0.437 1.00 0.00 C ATOM 0 H ALA A 48 -7.543 14.525 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.166 11.798 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.319 11.988 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.370 13.318 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.045 13.603 0.886 1.00 0.00 H new ATOM 848 N GLU A 49 -10.242 12.576 -0.456 1.00 0.00 N ATOM 849 CA GLU A 49 -11.591 12.039 -0.321 1.00 0.00 C ATOM 850 C GLU A 49 -11.861 10.973 -1.380 1.00 0.00 C ATOM 851 O GLU A 49 -11.989 9.789 -1.066 1.00 0.00 O ATOM 852 CB GLU A 49 -12.625 13.161 -0.437 1.00 0.00 C ATOM 853 CG GLU A 49 -12.963 13.816 0.892 1.00 0.00 C ATOM 854 CD GLU A 49 -14.129 14.780 0.787 1.00 0.00 C ATOM 855 OE1 GLU A 49 -15.283 14.311 0.716 1.00 0.00 O ATOM 856 OE2 GLU A 49 -13.885 16.005 0.776 1.00 0.00 O ATOM 0 H GLU A 49 -10.157 13.566 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.674 11.578 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.249 13.921 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.538 12.759 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.200 13.044 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.088 14.349 1.263 1.00 0.00 H new ATOM 863 N ASP A 50 -11.946 11.402 -2.634 1.00 0.00 N ATOM 864 CA ASP A 50 -12.200 10.485 -3.740 1.00 0.00 C ATOM 865 C ASP A 50 -11.375 9.211 -3.590 1.00 0.00 C ATOM 866 O ASP A 50 -11.920 8.108 -3.551 1.00 0.00 O ATOM 867 CB ASP A 50 -11.880 11.161 -5.074 1.00 0.00 C ATOM 868 CG ASP A 50 -12.735 10.635 -6.210 1.00 0.00 C ATOM 869 OD1 ASP A 50 -12.940 9.404 -6.278 1.00 0.00 O ATOM 870 OD2 ASP A 50 -13.201 11.453 -7.029 1.00 0.00 O ATOM 0 H ASP A 50 -11.843 12.378 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.256 10.216 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.030 12.236 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.828 11.006 -5.313 1.00 0.00 H new ATOM 875 N ALA A 51 -10.059 9.371 -3.507 1.00 0.00 N ATOM 876 CA ALA A 51 -9.159 8.234 -3.361 1.00 0.00 C ATOM 877 C ALA A 51 -9.494 7.426 -2.111 1.00 0.00 C ATOM 878 O ALA A 51 -9.983 6.299 -2.202 1.00 0.00 O ATOM 879 CB ALA A 51 -7.713 8.707 -3.313 1.00 0.00 C ATOM 0 H ALA A 51 -9.592 10.277 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.289 7.586 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.052 7.847 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.472 9.235 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.578 9.378 -2.465 1.00 0.00 H new ATOM 885 N ILE A 52 -9.227 8.008 -0.947 1.00 0.00 N ATOM 886 CA ILE A 52 -9.501 7.341 0.320 1.00 0.00 C ATOM 887 C ILE A 52 -10.749 6.470 0.224 1.00 0.00 C ATOM 888 O ILE A 52 -10.674 5.246 0.334 1.00 0.00 O ATOM 889 CB ILE A 52 -9.684 8.357 1.463 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.364 9.076 1.751 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.198 7.660 2.714 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.500 10.214 2.739 1.00 0.00 C ATOM 0 H ILE A 52 -8.821 8.939 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.638 6.712 0.539 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.421 9.099 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.643 8.355 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.959 9.463 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.322 8.391 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.158 7.190 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.483 6.899 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.526 10.678 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.196 10.955 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.876 9.830 3.687 1.00 0.00 H new ATOM 904 N ARG A 53 -11.896 7.110 0.017 1.00 0.00 N ATOM 905 CA ARG A 53 -13.161 6.394 -0.094 1.00 0.00 C ATOM 906 C ARG A 53 -12.980 5.086 -0.860 1.00 0.00 C ATOM 907 O ARG A 53 -13.134 4.001 -0.300 1.00 0.00 O ATOM 908 CB ARG A 53 -14.205 7.266 -0.793 1.00 0.00 C ATOM 909 CG ARG A 53 -15.637 6.829 -0.530 1.00 0.00 C ATOM 910 CD ARG A 53 -16.604 7.999 -0.635 1.00 0.00 C ATOM 911 NE ARG A 53 -17.945 7.642 -0.180 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.960 8.499 -0.140 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.786 9.755 -0.527 1.00 0.00 N ATOM 914 NH2 ARG A 53 -20.151 8.099 0.286 1.00 0.00 N ATOM 0 H ARG A 53 -11.975 8.123 -0.077 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.507 6.161 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.083 8.298 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.020 7.249 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.920 6.056 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.707 6.386 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.230 8.833 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.651 8.339 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.112 6.683 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.872 10.065 -0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.566 10.411 -0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.288 7.133 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.929 8.757 0.316 1.00 0.00 H new ATOM 928 N ASN A 54 -12.652 5.198 -2.143 1.00 0.00 N ATOM 929 CA ASN A 54 -12.451 4.025 -2.986 1.00 0.00 C ATOM 930 C ASN A 54 -11.337 3.142 -2.432 1.00 0.00 C ATOM 931 O ASN A 54 -11.591 2.050 -1.922 1.00 0.00 O ATOM 932 CB ASN A 54 -12.116 4.451 -4.417 1.00 0.00 C ATOM 933 CG ASN A 54 -13.358 4.712 -5.248 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.011 3.780 -5.717 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.688 5.984 -5.433 1.00 0.00 N ATOM 0 H ASN A 54 -12.520 6.089 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.377 3.450 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.503 5.352 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.519 3.674 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.513 6.222 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.117 6.724 -5.025 1.00 0.00 H new ATOM 942 N LEU A 55 -10.102 3.622 -2.536 1.00 0.00 N ATOM 943 CA LEU A 55 -8.948 2.877 -2.045 1.00 0.00 C ATOM 944 C LEU A 55 -9.305 2.083 -0.792 1.00 0.00 C ATOM 945 O LEU A 55 -8.798 0.982 -0.577 1.00 0.00 O ATOM 946 CB LEU A 55 -7.790 3.830 -1.747 1.00 0.00 C ATOM 947 CG LEU A 55 -7.137 4.494 -2.960 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.748 5.001 -2.607 1.00 0.00 C ATOM 949 CD2 LEU A 55 -7.072 3.522 -4.129 1.00 0.00 C ATOM 0 H LEU A 55 -9.875 4.523 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.642 2.176 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.153 4.613 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.023 3.279 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.748 5.347 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.299 5.470 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.821 5.731 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.127 4.165 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.604 4.011 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.484 2.649 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.081 3.208 -4.398 1.00 0.00 H new ATOM 961 N HIS A 56 -10.181 2.650 0.031 1.00 0.00 N ATOM 962 CA HIS A 56 -10.608 1.994 1.262 1.00 0.00 C ATOM 963 C HIS A 56 -11.009 0.546 0.995 1.00 0.00 C ATOM 964 O HIS A 56 -11.820 0.268 0.111 1.00 0.00 O ATOM 965 CB HIS A 56 -11.779 2.752 1.889 1.00 0.00 C ATOM 966 CG HIS A 56 -11.849 2.618 3.379 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.738 2.412 4.170 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.907 2.663 4.223 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.110 2.335 5.435 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.421 2.485 5.495 1.00 0.00 N ATOM 0 H HIS A 56 -10.609 3.561 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.768 1.998 1.957 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.698 3.808 1.631 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.711 2.388 1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.941 2.811 3.947 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.453 2.176 6.278 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.981 2.471 6.347 1.00 0.00 H new ATOM 978 N HIS A 57 -10.435 -0.373 1.765 1.00 0.00 N ATOM 979 CA HIS A 57 -10.733 -1.793 1.611 1.00 0.00 C ATOM 980 C HIS A 57 -10.488 -2.247 0.176 1.00 0.00 C ATOM 981 O HIS A 57 -11.167 -3.142 -0.327 1.00 0.00 O ATOM 982 CB HIS A 57 -12.182 -2.078 2.008 1.00 0.00 C ATOM 983 CG HIS A 57 -12.382 -2.213 3.486 1.00 0.00 C ATOM 984 ND1 HIS A 57 -12.992 -3.305 4.067 1.00 0.00 N ATOM 985 CD2 HIS A 57 -12.048 -1.386 4.504 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.026 -3.143 5.377 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.459 -1.986 5.669 1.00 0.00 N ATOM 0 H HIS A 57 -9.762 -0.160 2.501 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.067 -2.352 2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.817 -1.274 1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.510 -2.996 1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.551 -0.431 4.416 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.446 -3.838 6.089 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.345 -1.601 6.607 1.00 0.00 H new ATOM 995 N TYR A 58 -9.513 -1.625 -0.478 1.00 0.00 N ATOM 996 CA TYR A 58 -9.181 -1.963 -1.857 1.00 0.00 C ATOM 997 C TYR A 58 -8.369 -3.253 -1.921 1.00 0.00 C ATOM 998 O TYR A 58 -7.225 -3.304 -1.469 1.00 0.00 O ATOM 999 CB TYR A 58 -8.399 -0.822 -2.510 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.912 -1.141 -3.905 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.788 -1.934 -4.106 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.577 -0.652 -5.023 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.340 -2.228 -5.379 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -8.136 -0.942 -6.300 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.017 -1.730 -6.473 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.574 -2.022 -7.742 1.00 0.00 O ATOM 0 H TYR A 58 -8.939 -0.884 -0.075 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.113 -2.114 -2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.032 0.065 -2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.542 -0.575 -1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.256 -2.327 -3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.453 -0.035 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.464 -2.845 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.665 -0.554 -7.158 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.162 -1.596 -8.400 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.969 -4.294 -2.487 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.304 -5.585 -2.614 1.00 0.00 C ATOM 1018 C LYS A 59 -6.974 -5.443 -3.347 1.00 0.00 C ATOM 1019 O LYS A 59 -6.940 -5.261 -4.565 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.204 -6.575 -3.357 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.934 -8.027 -3.003 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.891 -8.964 -3.721 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.475 -10.418 -3.558 1.00 0.00 C ATOM 1024 NZ LYS A 59 -10.310 -11.329 -4.389 1.00 0.00 N ATOM 0 H LYS A 59 -9.916 -4.269 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.107 -5.964 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.246 -6.343 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.069 -6.440 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.908 -8.282 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.029 -8.164 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.899 -8.827 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.924 -8.710 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.427 -10.530 -3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.558 -10.704 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.996 -12.311 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.307 -11.241 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.211 -11.072 -5.392 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.879 -5.527 -2.598 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.546 -5.408 -3.177 1.00 0.00 C ATOM 1040 C LEU A 60 -3.688 -6.619 -2.821 1.00 0.00 C ATOM 1041 O LEU A 60 -3.112 -6.687 -1.735 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.868 -4.127 -2.688 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.445 -3.885 -3.194 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.463 -3.474 -4.658 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.751 -2.827 -2.349 1.00 0.00 C ATOM 0 H LEU A 60 -5.889 -5.677 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.650 -5.365 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.486 -3.278 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.847 -4.144 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.885 -4.816 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.442 -3.306 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.920 -4.265 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.040 -2.556 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.740 -2.668 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.310 -1.893 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.706 -3.161 -1.313 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.607 -7.572 -3.744 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.817 -8.779 -3.529 1.00 0.00 C ATOM 1059 C HIS A 61 -3.500 -9.703 -2.524 1.00 0.00 C ATOM 1060 O HIS A 61 -2.846 -10.294 -1.666 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.416 -8.416 -3.036 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.790 -7.285 -3.791 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.004 -6.267 -3.370 1.00 0.00 N flip ATOM 1064 CD2 HIS A 61 -0.946 -7.110 -5.150 1.00 0.00 C flip ATOM 1065 CE1 HIS A 61 0.299 -5.504 -4.471 1.00 0.00 C flip ATOM 1066 NE2 HIS A 61 -0.281 -6.034 -5.532 1.00 0.00 N flip ATOM 0 H HIS A 61 -4.079 -7.532 -4.648 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.734 -9.304 -4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.469 -8.152 -1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.774 -9.293 -3.114 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.522 -7.752 -5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.912 -4.615 -4.469 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.225 -5.674 -6.485 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.819 -9.822 -2.638 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.568 -10.674 -1.733 1.00 0.00 C ATOM 1076 C GLY A 62 -5.558 -10.157 -0.308 1.00 0.00 C ATOM 1077 O GLY A 62 -5.582 -10.938 0.643 1.00 0.00 O ATOM 0 H GLY A 62 -5.382 -9.344 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.598 -10.751 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.148 -11.680 -1.754 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.519 -8.837 -0.159 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.505 -8.216 1.160 1.00 0.00 C ATOM 1083 C VAL A 63 -6.478 -7.045 1.227 1.00 0.00 C ATOM 1084 O VAL A 63 -6.837 -6.464 0.204 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.095 -7.720 1.532 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.802 -6.389 0.856 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -3.952 -7.604 3.042 1.00 0.00 C ATOM 0 H VAL A 63 -5.497 -8.177 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.813 -8.981 1.873 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.367 -8.449 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.802 -6.054 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.860 -6.510 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.534 -5.648 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.950 -7.252 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.688 -6.897 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.116 -8.580 3.499 1.00 0.00 H new ATOM 1097 N ASN A 64 -6.900 -6.703 2.440 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.833 -5.599 2.641 1.00 0.00 C ATOM 1099 C ASN A 64 -7.149 -4.431 3.344 1.00 0.00 C ATOM 1100 O ASN A 64 -7.192 -4.320 4.570 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.039 -6.066 3.459 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.886 -7.078 2.713 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.706 -8.287 2.863 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.817 -6.588 1.902 1.00 0.00 N ATOM 0 H ASN A 64 -6.611 -7.173 3.298 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.175 -5.261 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.692 -6.505 4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.653 -5.204 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.417 -7.221 1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.932 -5.579 1.808 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.520 -3.562 2.560 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.829 -2.401 3.107 1.00 0.00 C ATOM 1113 C ILE A 65 -6.817 -1.405 3.707 1.00 0.00 C ATOM 1114 O ILE A 65 -7.935 -1.253 3.216 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.988 -1.688 2.032 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.900 -1.011 1.006 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.055 -2.675 1.349 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.187 0.005 0.142 1.00 0.00 C ATOM 0 H ILE A 65 -6.475 -3.640 1.544 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.166 -2.769 3.890 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.383 -0.921 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.342 -1.774 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.720 -0.519 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.467 -2.156 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.386 -3.115 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.642 -3.463 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.894 0.445 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.768 0.789 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.384 -0.485 -0.409 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.395 -0.729 4.770 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.242 0.253 5.437 1.00 0.00 C ATOM 1132 C ASN A 66 -6.751 1.671 5.161 1.00 0.00 C ATOM 1133 O ASN A 66 -5.567 1.971 5.316 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.269 -0.005 6.945 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.167 -1.170 7.315 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.192 -0.993 7.974 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.783 -2.369 6.894 1.00 0.00 N ATOM 0 H ASN A 66 -5.472 -0.843 5.188 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.252 0.153 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.256 -0.205 7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.613 0.893 7.459 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.345 -3.191 7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.926 -2.468 6.350 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.669 2.541 4.752 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.331 3.928 4.456 1.00 0.00 C ATOM 1146 C VAL A 67 -8.021 4.881 5.426 1.00 0.00 C ATOM 1147 O VAL A 67 -9.243 4.861 5.565 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.722 4.306 3.015 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -7.286 5.729 2.699 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -7.120 3.322 2.024 1.00 0.00 C ATOM 0 H VAL A 67 -8.653 2.309 4.618 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.251 4.021 4.567 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.807 4.256 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.571 5.978 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.770 6.420 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.204 5.810 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.407 3.605 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.034 3.337 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.488 2.319 2.239 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.229 5.714 6.093 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.765 6.674 7.050 1.00 0.00 C ATOM 1162 C GLU A 68 -7.036 8.011 6.945 1.00 0.00 C ATOM 1163 O GLU A 68 -5.807 8.060 6.910 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.647 6.128 8.475 1.00 0.00 C ATOM 1165 CG GLU A 68 -8.182 4.714 8.630 1.00 0.00 C ATOM 1166 CD GLU A 68 -9.697 4.663 8.654 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -10.331 5.552 8.049 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -10.249 3.733 9.279 1.00 0.00 O ATOM 0 H GLU A 68 -6.215 5.743 5.988 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.817 6.833 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.600 6.147 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.186 6.788 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.814 4.098 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.793 4.281 9.552 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.805 9.094 6.895 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.234 10.432 6.795 1.00 0.00 C ATOM 1177 C ALA A 69 -6.493 10.809 8.073 1.00 0.00 C ATOM 1178 O ALA A 69 -6.928 10.477 9.176 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.324 11.450 6.495 1.00 0.00 C ATOM 0 H ALA A 69 -8.824 9.071 6.922 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.515 10.433 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.883 12.444 6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.807 11.198 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.063 11.438 7.296 1.00 0.00 H new