USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 501 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 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 59 SER OG : rot 67:sc= 0.475 USER MOD Single : A 70 GLN : amide:sc= -1.15 K(o=-1.2,f=-1.8) USER MOD Single : A 74 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00471) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 83 ASN : amide:sc= -4.44! C(o=-4.4!,f=-5.6!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-0.0034) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 96 SER OG : rot 44:sc= 0.799 USER MOD Single : A 99 ASN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= 0.116 (180deg=0.0463) USER MOD Single : A 104 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -6.066 -9.047 -4.272 1.00 0.00 N ATOM 118 CA ILE A 46 -5.233 -7.842 -4.276 1.00 0.00 C ATOM 119 C ILE A 46 -4.010 -8.000 -3.367 1.00 0.00 C ATOM 120 O ILE A 46 -2.985 -7.353 -3.584 1.00 0.00 O ATOM 121 CB ILE A 46 -6.029 -6.582 -3.858 1.00 0.00 C ATOM 122 CG1 ILE A 46 -6.567 -6.716 -2.427 1.00 0.00 C ATOM 123 CG2 ILE A 46 -7.167 -6.323 -4.838 1.00 0.00 C ATOM 124 CD1 ILE A 46 -5.680 -6.071 -1.382 1.00 0.00 C ATOM 0 HA ILE A 46 -4.895 -7.709 -5.304 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.350 -5.730 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.559 -6.266 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.684 -7.773 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.717 -5.434 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.759 -6.170 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.840 -7.180 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.123 -6.205 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.695 -6.537 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.583 -5.006 -1.594 1.00 0.00 H new ATOM 136 N ALA A 47 -4.117 -8.870 -2.358 1.00 0.00 N ATOM 137 CA ALA A 47 -3.009 -9.114 -1.433 1.00 0.00 C ATOM 138 C ALA A 47 -1.815 -9.748 -2.151 1.00 0.00 C ATOM 139 O ALA A 47 -0.671 -9.587 -1.724 1.00 0.00 O ATOM 140 CB ALA A 47 -3.461 -10.004 -0.284 1.00 0.00 C ATOM 0 H ALA A 47 -4.957 -9.415 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.692 -8.151 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.625 -10.175 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.273 -9.517 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.810 -10.958 -0.678 1.00 0.00 H new ATOM 146 N ASN A 48 -2.088 -10.464 -3.246 1.00 0.00 N ATOM 147 CA ASN A 48 -1.036 -11.116 -4.026 1.00 0.00 C ATOM 148 C ASN A 48 -0.367 -10.139 -5.001 1.00 0.00 C ATOM 149 O ASN A 48 0.613 -10.488 -5.661 1.00 0.00 O ATOM 150 CB ASN A 48 -1.610 -12.310 -4.795 1.00 0.00 C ATOM 151 CG ASN A 48 -1.514 -13.605 -4.009 1.00 0.00 C ATOM 152 OD1 ASN A 48 -0.724 -14.487 -4.342 1.00 0.00 O ATOM 153 ND2 ASN A 48 -2.320 -13.725 -2.959 1.00 0.00 N ATOM 0 H ASN A 48 -3.030 -10.606 -3.611 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.276 -11.466 -3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.654 -12.113 -5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.077 -12.421 -5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.298 -14.574 -2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.960 -12.968 -2.718 1.00 0.00 H new ATOM 160 N PHE A 49 -0.891 -8.912 -5.084 1.00 0.00 N ATOM 161 CA PHE A 49 -0.333 -7.897 -5.970 1.00 0.00 C ATOM 162 C PHE A 49 0.681 -7.007 -5.235 1.00 0.00 C ATOM 163 O PHE A 49 0.979 -5.897 -5.682 1.00 0.00 O ATOM 164 CB PHE A 49 -1.465 -7.042 -6.552 1.00 0.00 C ATOM 165 CG PHE A 49 -1.533 -7.060 -8.055 1.00 0.00 C ATOM 166 CD1 PHE A 49 -1.539 -8.259 -8.752 1.00 0.00 C ATOM 167 CD2 PHE A 49 -1.594 -5.875 -8.771 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.604 -8.275 -10.132 1.00 0.00 C ATOM 169 CE2 PHE A 49 -1.660 -5.885 -10.150 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.665 -7.086 -10.832 1.00 0.00 C ATOM 0 H PHE A 49 -1.701 -8.602 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 49 0.195 -8.402 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.416 -7.394 -6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.339 -6.013 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.492 -9.192 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.590 -4.932 -8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.607 -9.216 -10.662 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.708 -4.954 -10.695 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.717 -7.095 -11.911 1.00 0.00 H new ATOM 180 N LEU A 50 1.214 -7.500 -4.111 1.00 0.00 N ATOM 181 CA LEU A 50 2.193 -6.749 -3.326 1.00 0.00 C ATOM 182 C LEU A 50 3.575 -7.416 -3.352 1.00 0.00 C ATOM 183 O LEU A 50 4.427 -7.098 -2.525 1.00 0.00 O ATOM 184 CB LEU A 50 1.718 -6.619 -1.875 1.00 0.00 C ATOM 185 CG LEU A 50 0.696 -5.509 -1.619 1.00 0.00 C ATOM 186 CD1 LEU A 50 -0.667 -6.102 -1.296 1.00 0.00 C ATOM 187 CD2 LEU A 50 1.168 -4.602 -0.492 1.00 0.00 C ATOM 0 H LEU A 50 0.982 -8.416 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 50 2.283 -5.760 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.283 -7.569 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.586 -6.444 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 50 0.602 -4.910 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.381 -5.298 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.008 -6.709 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.591 -6.725 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.430 -3.818 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.291 -5.188 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.122 -4.150 -0.764 1.00 0.00 H new ATOM 199 N GLU A 51 3.786 -8.337 -4.302 1.00 0.00 N ATOM 200 CA GLU A 51 5.058 -9.054 -4.440 1.00 0.00 C ATOM 201 C GLU A 51 5.365 -9.905 -3.205 1.00 0.00 C ATOM 202 O GLU A 51 5.220 -9.449 -2.071 1.00 0.00 O ATOM 203 CB GLU A 51 6.208 -8.073 -4.692 1.00 0.00 C ATOM 204 CG GLU A 51 6.342 -7.648 -6.149 1.00 0.00 C ATOM 205 CD GLU A 51 7.386 -8.446 -6.914 1.00 0.00 C ATOM 206 OE1 GLU A 51 7.667 -9.600 -6.523 1.00 0.00 O ATOM 207 OE2 GLU A 51 7.922 -7.915 -7.909 1.00 0.00 O ATOM 0 H GLU A 51 3.084 -8.604 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 51 4.961 -9.721 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.059 -7.186 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.143 -8.532 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.377 -7.758 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.602 -6.590 -6.189 1.00 0.00 H new ATOM 214 N PRO A 52 5.804 -11.161 -3.407 1.00 0.00 N ATOM 215 CA PRO A 52 6.138 -12.065 -2.298 1.00 0.00 C ATOM 216 C PRO A 52 7.159 -11.456 -1.336 1.00 0.00 C ATOM 217 O PRO A 52 7.070 -11.650 -0.123 1.00 0.00 O ATOM 218 CB PRO A 52 6.731 -13.290 -2.998 1.00 0.00 C ATOM 219 CG PRO A 52 6.165 -13.253 -4.375 1.00 0.00 C ATOM 220 CD PRO A 52 6.017 -11.798 -4.720 1.00 0.00 C ATOM 0 HA PRO A 52 5.266 -12.289 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.820 -13.246 -3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.458 -14.211 -2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.824 -13.757 -5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.203 -13.764 -4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.906 -11.409 -5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.176 -11.627 -5.392 1.00 0.00 H new ATOM 228 N GLN A 53 8.127 -10.717 -1.885 1.00 0.00 N ATOM 229 CA GLN A 53 9.164 -10.081 -1.072 1.00 0.00 C ATOM 230 C GLN A 53 8.589 -8.935 -0.239 1.00 0.00 C ATOM 231 O GLN A 53 8.848 -8.842 0.961 1.00 0.00 O ATOM 232 CB GLN A 53 10.298 -9.561 -1.961 1.00 0.00 C ATOM 233 CG GLN A 53 10.965 -10.643 -2.798 1.00 0.00 C ATOM 234 CD GLN A 53 11.472 -10.122 -4.130 1.00 0.00 C ATOM 235 OE1 GLN A 53 12.672 -10.150 -4.404 1.00 0.00 O ATOM 236 NE2 GLN A 53 10.558 -9.643 -4.969 1.00 0.00 N ATOM 0 H GLN A 53 8.213 -10.545 -2.887 1.00 0.00 H new ATOM 0 HA GLN A 53 9.561 -10.834 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.903 -8.792 -2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.051 -9.084 -1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.798 -11.069 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.254 -11.450 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.574 -9.638 -4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.842 -9.280 -5.879 1.00 0.00 H new ATOM 245 N ALA A 54 7.804 -8.068 -0.882 1.00 0.00 N ATOM 246 CA ALA A 54 7.194 -6.932 -0.192 1.00 0.00 C ATOM 247 C ALA A 54 6.133 -7.392 0.810 1.00 0.00 C ATOM 248 O ALA A 54 5.926 -6.748 1.839 1.00 0.00 O ATOM 249 CB ALA A 54 6.595 -5.960 -1.197 1.00 0.00 C ATOM 0 H ALA A 54 7.577 -8.131 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 54 7.977 -6.420 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.145 -5.120 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.379 -5.593 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.831 -6.469 -1.785 1.00 0.00 H new ATOM 255 N LEU A 55 5.467 -8.511 0.507 1.00 0.00 N ATOM 256 CA LEU A 55 4.434 -9.056 1.387 1.00 0.00 C ATOM 257 C LEU A 55 5.015 -9.366 2.765 1.00 0.00 C ATOM 258 O LEU A 55 4.423 -9.022 3.788 1.00 0.00 O ATOM 259 CB LEU A 55 3.826 -10.324 0.776 1.00 0.00 C ATOM 260 CG LEU A 55 2.373 -10.608 1.169 1.00 0.00 C ATOM 261 CD1 LEU A 55 1.685 -11.433 0.092 1.00 0.00 C ATOM 262 CD2 LEU A 55 2.309 -11.321 2.513 1.00 0.00 C ATOM 0 H LEU A 55 5.626 -9.055 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 55 3.649 -8.308 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.883 -10.248 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.438 -11.178 1.068 1.00 0.00 H new ATOM 0 HG LEU A 55 1.849 -9.657 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.653 -11.627 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.697 -10.885 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.211 -12.380 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.268 -11.513 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.848 -12.266 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.765 -10.694 3.279 1.00 0.00 H new ATOM 274 N GLU A 56 6.187 -10.004 2.780 1.00 0.00 N ATOM 275 CA GLU A 56 6.863 -10.348 4.029 1.00 0.00 C ATOM 276 C GLU A 56 7.192 -9.087 4.831 1.00 0.00 C ATOM 277 O GLU A 56 6.994 -9.046 6.047 1.00 0.00 O ATOM 278 CB GLU A 56 8.143 -11.137 3.742 1.00 0.00 C ATOM 279 CG GLU A 56 8.787 -11.730 4.988 1.00 0.00 C ATOM 280 CD GLU A 56 10.155 -12.339 4.726 1.00 0.00 C ATOM 281 OE1 GLU A 56 10.888 -11.818 3.857 1.00 0.00 O ATOM 282 OE2 GLU A 56 10.494 -13.336 5.396 1.00 0.00 O ATOM 0 H GLU A 56 6.687 -10.293 1.939 1.00 0.00 H new ATOM 0 HA GLU A 56 6.191 -10.969 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.915 -11.942 3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.861 -10.481 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.883 -10.951 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.129 -12.495 5.399 1.00 0.00 H new ATOM 289 N ARG A 57 7.688 -8.057 4.139 1.00 0.00 N ATOM 290 CA ARG A 57 8.036 -6.793 4.778 1.00 0.00 C ATOM 291 C ARG A 57 6.816 -6.184 5.466 1.00 0.00 C ATOM 292 O ARG A 57 6.898 -5.741 6.614 1.00 0.00 O ATOM 293 CB ARG A 57 8.600 -5.812 3.744 1.00 0.00 C ATOM 294 CG ARG A 57 9.771 -4.992 4.254 1.00 0.00 C ATOM 295 CD ARG A 57 9.317 -3.945 5.256 1.00 0.00 C ATOM 296 NE ARG A 57 10.276 -3.776 6.347 1.00 0.00 N ATOM 297 CZ ARG A 57 11.352 -2.982 6.287 1.00 0.00 C ATOM 298 NH1 ARG A 57 11.621 -2.288 5.182 1.00 0.00 N ATOM 299 NH2 ARG A 57 12.165 -2.887 7.335 1.00 0.00 N ATOM 0 H ARG A 57 7.856 -8.078 3.133 1.00 0.00 H new ATOM 0 HA ARG A 57 8.798 -6.989 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.915 -6.369 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.806 -5.136 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.503 -5.651 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.269 -4.504 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.177 -2.992 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.349 -4.232 5.666 1.00 0.00 H new ATOM 0 HE ARG A 57 10.115 -4.297 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.005 -2.359 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.443 -1.686 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.968 -3.419 8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.985 -2.282 7.291 1.00 0.00 H new ATOM 313 N LEU A 58 5.684 -6.171 4.759 1.00 0.00 N ATOM 314 CA LEU A 58 4.443 -5.623 5.302 1.00 0.00 C ATOM 315 C LEU A 58 4.015 -6.377 6.562 1.00 0.00 C ATOM 316 O LEU A 58 3.508 -5.776 7.509 1.00 0.00 O ATOM 317 CB LEU A 58 3.326 -5.678 4.255 1.00 0.00 C ATOM 318 CG LEU A 58 2.188 -4.675 4.469 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.683 -3.250 4.270 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.026 -4.975 3.532 1.00 0.00 C ATOM 0 H LEU A 58 5.603 -6.534 3.809 1.00 0.00 H new ATOM 0 HA LEU A 58 4.627 -4.582 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.762 -5.505 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.907 -6.684 4.246 1.00 0.00 H new ATOM 0 HG LEU A 58 1.835 -4.773 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.859 -2.554 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.478 -3.038 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.067 -3.136 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.228 -4.252 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.365 -4.908 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.652 -5.980 3.727 1.00 0.00 H new ATOM 332 N SER A 59 4.226 -7.696 6.570 1.00 0.00 N ATOM 333 CA SER A 59 3.868 -8.524 7.720 1.00 0.00 C ATOM 334 C SER A 59 4.687 -8.130 8.949 1.00 0.00 C ATOM 335 O SER A 59 4.156 -8.053 10.058 1.00 0.00 O ATOM 336 CB SER A 59 4.084 -10.007 7.405 1.00 0.00 C ATOM 337 OG SER A 59 3.374 -10.393 6.240 1.00 0.00 O ATOM 0 H SER A 59 4.642 -8.211 5.794 1.00 0.00 H new ATOM 0 HA SER A 59 2.812 -8.359 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.148 -10.201 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.757 -10.612 8.250 1.00 0.00 H new ATOM 0 HG SER A 59 3.763 -9.949 5.458 1.00 0.00 H new ATOM 343 N ARG A 60 5.983 -7.880 8.743 1.00 0.00 N ATOM 344 CA ARG A 60 6.877 -7.494 9.834 1.00 0.00 C ATOM 345 C ARG A 60 6.496 -6.127 10.406 1.00 0.00 C ATOM 346 O ARG A 60 6.437 -5.955 11.623 1.00 0.00 O ATOM 347 CB ARG A 60 8.333 -7.475 9.354 1.00 0.00 C ATOM 348 CG ARG A 60 9.346 -7.682 10.472 1.00 0.00 C ATOM 349 CD ARG A 60 9.918 -9.092 10.459 1.00 0.00 C ATOM 350 NE ARG A 60 10.979 -9.250 9.462 1.00 0.00 N ATOM 351 CZ ARG A 60 12.231 -8.808 9.623 1.00 0.00 C ATOM 352 NH1 ARG A 60 12.585 -8.165 10.736 1.00 0.00 N ATOM 353 NH2 ARG A 60 13.133 -9.009 8.668 1.00 0.00 N ATOM 0 H ARG A 60 6.435 -7.938 7.830 1.00 0.00 H new ATOM 0 HA ARG A 60 6.774 -8.236 10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.469 -8.253 8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.533 -6.521 8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.156 -6.960 10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.870 -7.491 11.434 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.312 -9.332 11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.119 -9.804 10.253 1.00 0.00 H new ATOM 0 HE ARG A 60 10.749 -9.727 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.899 -8.007 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.542 -7.832 10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.870 -9.500 7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.088 -8.672 8.790 1.00 0.00 H new ATOM 367 N VAL A 61 6.236 -5.159 9.524 1.00 0.00 N ATOM 368 CA VAL A 61 5.859 -3.812 9.957 1.00 0.00 C ATOM 369 C VAL A 61 4.476 -3.807 10.616 1.00 0.00 C ATOM 370 O VAL A 61 4.270 -3.125 11.620 1.00 0.00 O ATOM 371 CB VAL A 61 5.896 -2.789 8.795 1.00 0.00 C ATOM 372 CG1 VAL A 61 4.897 -3.144 7.704 1.00 0.00 C ATOM 373 CG2 VAL A 61 5.648 -1.379 9.316 1.00 0.00 C ATOM 0 H VAL A 61 6.279 -5.282 8.512 1.00 0.00 H new ATOM 0 HA VAL A 61 6.602 -3.506 10.693 1.00 0.00 H new ATOM 0 HB VAL A 61 6.891 -2.826 8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.952 -2.404 6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.132 -4.129 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.890 -3.153 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.678 -0.674 8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.670 -1.335 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.419 -1.118 10.041 1.00 0.00 H new ATOM 383 N ALA A 62 3.538 -4.571 10.048 1.00 0.00 N ATOM 384 CA ALA A 62 2.177 -4.656 10.586 1.00 0.00 C ATOM 385 C ALA A 62 2.174 -5.093 12.053 1.00 0.00 C ATOM 386 O ALA A 62 1.280 -4.717 12.813 1.00 0.00 O ATOM 387 CB ALA A 62 1.333 -5.616 9.758 1.00 0.00 C ATOM 0 H ALA A 62 3.696 -5.139 9.216 1.00 0.00 H new ATOM 0 HA ALA A 62 1.744 -3.657 10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.326 -5.666 10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.284 -5.262 8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.784 -6.608 9.780 1.00 0.00 H new ATOM 393 N LEU A 63 3.176 -5.886 12.446 1.00 0.00 N ATOM 394 CA LEU A 63 3.282 -6.367 13.824 1.00 0.00 C ATOM 395 C LEU A 63 3.496 -5.207 14.795 1.00 0.00 C ATOM 396 O LEU A 63 3.003 -5.235 15.923 1.00 0.00 O ATOM 397 CB LEU A 63 4.438 -7.365 13.961 1.00 0.00 C ATOM 398 CG LEU A 63 4.210 -8.731 13.306 1.00 0.00 C ATOM 399 CD1 LEU A 63 5.496 -9.546 13.315 1.00 0.00 C ATOM 400 CD2 LEU A 63 3.094 -9.487 14.014 1.00 0.00 C ATOM 0 H LEU A 63 3.923 -6.207 11.830 1.00 0.00 H new ATOM 0 HA LEU A 63 2.345 -6.866 14.071 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.334 -6.919 13.528 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.639 -7.519 15.021 1.00 0.00 H new ATOM 0 HG LEU A 63 3.910 -8.569 12.271 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.317 -10.514 12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.269 -9.012 12.762 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.824 -9.696 14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.948 -10.454 13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.363 -9.638 15.059 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.171 -8.910 13.957 1.00 0.00 H new ATOM 412 N VAL A 64 4.238 -4.194 14.351 1.00 0.00 N ATOM 413 CA VAL A 64 4.523 -3.030 15.183 1.00 0.00 C ATOM 414 C VAL A 64 3.559 -1.884 14.877 1.00 0.00 C ATOM 415 O VAL A 64 2.830 -1.427 15.757 1.00 0.00 O ATOM 416 CB VAL A 64 5.976 -2.533 15.003 1.00 0.00 C ATOM 417 CG1 VAL A 64 6.532 -2.038 16.328 1.00 0.00 C ATOM 418 CG2 VAL A 64 6.869 -3.624 14.423 1.00 0.00 C ATOM 0 H VAL A 64 4.652 -4.157 13.420 1.00 0.00 H new ATOM 0 HA VAL A 64 4.390 -3.349 16.217 1.00 0.00 H new ATOM 0 HB VAL A 64 5.962 -1.704 14.295 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.556 -1.691 16.186 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.918 -1.216 16.696 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.522 -2.851 17.054 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.883 -3.242 14.309 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.878 -4.482 15.095 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.485 -3.929 13.450 1.00 0.00 H new ATOM 428 N ARG A 65 3.559 -1.425 13.624 1.00 0.00 N ATOM 429 CA ARG A 65 2.681 -0.336 13.205 1.00 0.00 C ATOM 430 C ARG A 65 1.707 -0.810 12.129 1.00 0.00 C ATOM 431 O ARG A 65 1.982 -0.694 10.932 1.00 0.00 O ATOM 432 CB ARG A 65 3.499 0.850 12.682 1.00 0.00 C ATOM 433 CG ARG A 65 4.530 1.372 13.673 1.00 0.00 C ATOM 434 CD ARG A 65 5.949 1.087 13.205 1.00 0.00 C ATOM 435 NE ARG A 65 6.890 2.120 13.639 1.00 0.00 N ATOM 436 CZ ARG A 65 7.394 2.202 14.874 1.00 0.00 C ATOM 437 NH1 ARG A 65 7.046 1.317 15.807 1.00 0.00 N ATOM 438 NH2 ARG A 65 8.250 3.173 15.178 1.00 0.00 N ATOM 0 H ARG A 65 4.157 -1.792 12.884 1.00 0.00 H new ATOM 0 HA ARG A 65 2.111 -0.012 14.076 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.008 0.552 11.766 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.819 1.660 12.419 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.398 2.446 13.805 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.367 0.909 14.646 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.270 0.120 13.591 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.964 1.017 12.117 1.00 0.00 H new ATOM 0 HE ARG A 65 7.179 2.821 12.957 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.390 0.569 15.581 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.436 1.387 16.747 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.521 3.854 14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.635 3.237 16.120 1.00 0.00 H new ATOM 452 N ARG A 66 0.565 -1.342 12.564 1.00 0.00 N ATOM 453 CA ARG A 66 -0.458 -1.831 11.641 1.00 0.00 C ATOM 454 C ARG A 66 -0.958 -0.710 10.726 1.00 0.00 C ATOM 455 O ARG A 66 -1.321 -0.959 9.577 1.00 0.00 O ATOM 456 CB ARG A 66 -1.630 -2.441 12.415 1.00 0.00 C ATOM 457 CG ARG A 66 -2.651 -3.144 11.531 1.00 0.00 C ATOM 458 CD ARG A 66 -3.934 -2.334 11.410 1.00 0.00 C ATOM 459 NE ARG A 66 -5.047 -3.133 10.895 1.00 0.00 N ATOM 460 CZ ARG A 66 -6.334 -2.802 11.039 1.00 0.00 C ATOM 461 NH1 ARG A 66 -6.678 -1.684 11.675 1.00 0.00 N ATOM 462 NH2 ARG A 66 -7.280 -3.591 10.542 1.00 0.00 N ATOM 0 H ARG A 66 0.325 -1.445 13.550 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.005 -2.603 11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.241 -3.154 13.142 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.131 -1.653 12.977 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.226 -3.306 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.877 -4.127 11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.200 -1.931 12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.764 -1.484 10.750 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.827 -3.995 10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.957 -1.072 12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.663 -1.439 11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.024 -4.448 10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.263 -3.340 10.651 1.00 0.00 H new ATOM 476 N ASP A 67 -0.973 0.524 11.245 1.00 0.00 N ATOM 477 CA ASP A 67 -1.426 1.685 10.476 1.00 0.00 C ATOM 478 C ASP A 67 -0.648 1.823 9.169 1.00 0.00 C ATOM 479 O ASP A 67 -1.222 2.127 8.124 1.00 0.00 O ATOM 480 CB ASP A 67 -1.274 2.963 11.305 1.00 0.00 C ATOM 481 CG ASP A 67 -2.516 3.279 12.114 1.00 0.00 C ATOM 482 OD1 ASP A 67 -2.738 2.609 13.145 1.00 0.00 O ATOM 483 OD2 ASP A 67 -3.265 4.196 11.719 1.00 0.00 O ATOM 0 H ASP A 67 -0.676 0.742 12.196 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.478 1.533 10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.423 2.857 11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.054 3.799 10.641 1.00 0.00 H new ATOM 488 N ARG A 68 0.661 1.599 9.233 1.00 0.00 N ATOM 489 CA ARG A 68 1.507 1.695 8.049 1.00 0.00 C ATOM 490 C ARG A 68 1.157 0.599 7.039 1.00 0.00 C ATOM 491 O ARG A 68 0.979 0.872 5.851 1.00 0.00 O ATOM 492 CB ARG A 68 2.985 1.602 8.442 1.00 0.00 C ATOM 493 CG ARG A 68 3.631 2.954 8.710 1.00 0.00 C ATOM 494 CD ARG A 68 3.307 3.463 10.107 1.00 0.00 C ATOM 495 NE ARG A 68 4.503 3.901 10.826 1.00 0.00 N ATOM 496 CZ ARG A 68 4.482 4.689 11.906 1.00 0.00 C ATOM 497 NH1 ARG A 68 3.326 5.117 12.409 1.00 0.00 N ATOM 498 NH2 ARG A 68 5.622 5.048 12.486 1.00 0.00 N ATOM 0 H ARG A 68 1.157 1.351 10.089 1.00 0.00 H new ATOM 0 HA ARG A 68 1.328 2.662 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.077 0.982 9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.533 1.098 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.712 2.871 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.286 3.676 7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.604 4.293 10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.813 2.674 10.674 1.00 0.00 H new ATOM 0 HE ARG A 68 5.410 3.586 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.447 4.844 11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.320 5.718 13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.511 4.723 12.107 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.608 5.649 13.310 1.00 0.00 H new ATOM 512 N ALA A 69 1.065 -0.642 7.521 1.00 0.00 N ATOM 513 CA ALA A 69 0.747 -1.787 6.665 1.00 0.00 C ATOM 514 C ALA A 69 -0.671 -1.719 6.097 1.00 0.00 C ATOM 515 O ALA A 69 -0.888 -2.037 4.925 1.00 0.00 O ATOM 516 CB ALA A 69 0.938 -3.089 7.429 1.00 0.00 C ATOM 0 H ALA A 69 1.207 -0.880 8.503 1.00 0.00 H new ATOM 0 HA ALA A 69 1.437 -1.752 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.698 -3.931 6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.974 -3.169 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.279 -3.101 8.297 1.00 0.00 H new ATOM 522 N GLN A 70 -1.636 -1.314 6.925 1.00 0.00 N ATOM 523 CA GLN A 70 -3.028 -1.222 6.484 1.00 0.00 C ATOM 524 C GLN A 70 -3.183 -0.172 5.384 1.00 0.00 C ATOM 525 O GLN A 70 -3.988 -0.335 4.469 1.00 0.00 O ATOM 526 CB GLN A 70 -3.966 -0.922 7.662 1.00 0.00 C ATOM 527 CG GLN A 70 -3.789 0.459 8.273 1.00 0.00 C ATOM 528 CD GLN A 70 -4.627 1.518 7.580 1.00 0.00 C ATOM 529 OE1 GLN A 70 -4.109 2.542 7.139 1.00 0.00 O ATOM 530 NE2 GLN A 70 -5.930 1.277 7.480 1.00 0.00 N ATOM 0 H GLN A 70 -1.481 -1.047 7.897 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.311 -2.191 6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.997 -1.027 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.806 -1.672 8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.058 0.422 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.738 0.742 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.320 0.414 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.540 1.955 7.024 1.00 0.00 H new ATOM 539 N ALA A 71 -2.398 0.901 5.471 1.00 0.00 N ATOM 540 CA ALA A 71 -2.444 1.960 4.470 1.00 0.00 C ATOM 541 C ALA A 71 -1.899 1.468 3.127 1.00 0.00 C ATOM 542 O ALA A 71 -2.388 1.869 2.070 1.00 0.00 O ATOM 543 CB ALA A 71 -1.673 3.183 4.946 1.00 0.00 C ATOM 0 H ALA A 71 -1.726 1.058 6.222 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.486 2.245 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.720 3.962 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.114 3.554 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.633 2.911 5.123 1.00 0.00 H new ATOM 549 N VAL A 72 -0.887 0.592 3.171 1.00 0.00 N ATOM 550 CA VAL A 72 -0.291 0.049 1.947 1.00 0.00 C ATOM 551 C VAL A 72 -1.315 -0.760 1.150 1.00 0.00 C ATOM 552 O VAL A 72 -1.453 -0.573 -0.061 1.00 0.00 O ATOM 553 CB VAL A 72 0.937 -0.843 2.244 1.00 0.00 C ATOM 554 CG1 VAL A 72 1.536 -1.385 0.951 1.00 0.00 C ATOM 555 CG2 VAL A 72 1.985 -0.076 3.037 1.00 0.00 C ATOM 0 H VAL A 72 -0.468 0.247 4.034 1.00 0.00 H new ATOM 0 HA VAL A 72 0.038 0.905 1.358 1.00 0.00 H new ATOM 0 HB VAL A 72 0.602 -1.687 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.398 -2.010 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.789 -1.979 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.850 -0.554 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.839 -0.724 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.312 0.791 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.556 0.255 3.983 1.00 0.00 H new ATOM 565 N GLU A 73 -2.037 -1.653 1.834 1.00 0.00 N ATOM 566 CA GLU A 73 -3.053 -2.479 1.177 1.00 0.00 C ATOM 567 C GLU A 73 -4.173 -1.609 0.604 1.00 0.00 C ATOM 568 O GLU A 73 -4.714 -1.903 -0.464 1.00 0.00 O ATOM 569 CB GLU A 73 -3.634 -3.517 2.148 1.00 0.00 C ATOM 570 CG GLU A 73 -4.275 -2.919 3.393 1.00 0.00 C ATOM 571 CD GLU A 73 -5.305 -3.839 4.020 1.00 0.00 C ATOM 572 OE1 GLU A 73 -4.906 -4.874 4.594 1.00 0.00 O ATOM 573 OE2 GLU A 73 -6.511 -3.525 3.937 1.00 0.00 O ATOM 0 H GLU A 73 -1.938 -1.821 2.835 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.569 -3.009 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.378 -4.114 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.839 -4.197 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.499 -2.697 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.749 -1.972 3.134 1.00 0.00 H new ATOM 580 N THR A 74 -4.509 -0.530 1.315 1.00 0.00 N ATOM 581 CA THR A 74 -5.556 0.389 0.873 1.00 0.00 C ATOM 582 C THR A 74 -5.099 1.182 -0.353 1.00 0.00 C ATOM 583 O THR A 74 -5.896 1.476 -1.244 1.00 0.00 O ATOM 584 CB THR A 74 -5.946 1.346 2.006 1.00 0.00 C ATOM 585 OG1 THR A 74 -6.209 0.631 3.202 1.00 0.00 O ATOM 586 CG2 THR A 74 -7.175 2.174 1.693 1.00 0.00 C ATOM 0 H THR A 74 -4.070 -0.273 2.199 1.00 0.00 H new ATOM 0 HA THR A 74 -6.430 -0.201 0.597 1.00 0.00 H new ATOM 0 HB THR A 74 -5.093 2.014 2.123 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.363 0.416 3.648 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.396 2.829 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.991 2.776 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.023 1.513 1.515 1.00 0.00 H new ATOM 594 N TYR A 75 -3.810 1.519 -0.393 1.00 0.00 N ATOM 595 CA TYR A 75 -3.241 2.265 -1.507 1.00 0.00 C ATOM 596 C TYR A 75 -3.264 1.422 -2.786 1.00 0.00 C ATOM 597 O TYR A 75 -3.695 1.891 -3.842 1.00 0.00 O ATOM 598 CB TYR A 75 -1.808 2.696 -1.157 1.00 0.00 C ATOM 599 CG TYR A 75 -0.925 2.976 -2.353 1.00 0.00 C ATOM 600 CD1 TYR A 75 -0.276 1.943 -3.017 1.00 0.00 C ATOM 601 CD2 TYR A 75 -0.741 4.271 -2.815 1.00 0.00 C ATOM 602 CE1 TYR A 75 0.530 2.193 -4.107 1.00 0.00 C ATOM 603 CE2 TYR A 75 0.064 4.531 -3.905 1.00 0.00 C ATOM 604 CZ TYR A 75 0.698 3.489 -4.548 1.00 0.00 C ATOM 605 OH TYR A 75 1.500 3.744 -5.637 1.00 0.00 O ATOM 0 H TYR A 75 -3.140 1.284 0.339 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.842 3.157 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.853 3.592 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.344 1.915 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.405 0.927 -2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.236 5.089 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.027 1.379 -4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.197 5.545 -4.253 1.00 0.00 H new ATOM 0 HH TYR A 75 1.510 4.707 -5.817 1.00 0.00 H new ATOM 615 N LEU A 76 -2.798 0.175 -2.678 1.00 0.00 N ATOM 616 CA LEU A 76 -2.760 -0.737 -3.821 1.00 0.00 C ATOM 617 C LEU A 76 -4.165 -1.070 -4.317 1.00 0.00 C ATOM 618 O LEU A 76 -4.427 -1.035 -5.520 1.00 0.00 O ATOM 619 CB LEU A 76 -2.023 -2.028 -3.450 1.00 0.00 C ATOM 620 CG LEU A 76 -1.902 -3.057 -4.580 1.00 0.00 C ATOM 621 CD1 LEU A 76 -1.019 -2.526 -5.700 1.00 0.00 C ATOM 622 CD2 LEU A 76 -1.359 -4.373 -4.045 1.00 0.00 C ATOM 0 H LEU A 76 -2.442 -0.225 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.224 -0.233 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.021 -1.770 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.538 -2.493 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.896 -3.236 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.947 -3.272 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.453 -1.611 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.024 -2.314 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.279 -5.092 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.374 -4.209 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.034 -4.762 -3.283 1.00 0.00 H new ATOM 634 N LYS A 77 -5.067 -1.391 -3.387 1.00 0.00 N ATOM 635 CA LYS A 77 -6.444 -1.728 -3.745 1.00 0.00 C ATOM 636 C LYS A 77 -7.118 -0.568 -4.481 1.00 0.00 C ATOM 637 O LYS A 77 -7.939 -0.788 -5.369 1.00 0.00 O ATOM 638 CB LYS A 77 -7.251 -2.138 -2.504 1.00 0.00 C ATOM 639 CG LYS A 77 -7.755 -0.973 -1.662 1.00 0.00 C ATOM 640 CD LYS A 77 -9.222 -0.678 -1.937 1.00 0.00 C ATOM 641 CE LYS A 77 -9.451 0.796 -2.235 1.00 0.00 C ATOM 642 NZ LYS A 77 -9.917 1.548 -1.035 1.00 0.00 N ATOM 0 H LYS A 77 -4.869 -1.424 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.416 -2.582 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.105 -2.735 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.630 -2.779 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.621 -1.202 -0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.159 -0.085 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.562 -1.278 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.821 -0.973 -1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.525 1.239 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.189 0.893 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.946 2.565 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.869 1.223 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.262 1.381 -0.245 1.00 0.00 H new ATOM 656 N LYS A 78 -6.759 0.666 -4.111 1.00 0.00 N ATOM 657 CA LYS A 78 -7.325 1.854 -4.748 1.00 0.00 C ATOM 658 C LYS A 78 -6.932 1.921 -6.223 1.00 0.00 C ATOM 659 O LYS A 78 -7.776 2.162 -7.085 1.00 0.00 O ATOM 660 CB LYS A 78 -6.854 3.123 -4.029 1.00 0.00 C ATOM 661 CG LYS A 78 -7.980 4.080 -3.676 1.00 0.00 C ATOM 662 CD LYS A 78 -8.244 5.066 -4.803 1.00 0.00 C ATOM 663 CE LYS A 78 -7.646 6.432 -4.501 1.00 0.00 C ATOM 664 NZ LYS A 78 -7.167 7.116 -5.734 1.00 0.00 N ATOM 0 H LYS A 78 -6.081 0.865 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.411 1.786 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.331 2.839 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.133 3.642 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.888 3.514 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.725 4.624 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.822 4.680 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.319 5.164 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.393 7.054 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.816 6.318 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.767 8.043 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.435 6.535 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.964 7.248 -6.389 1.00 0.00 H new ATOM 678 N LEU A 79 -5.648 1.698 -6.507 1.00 0.00 N ATOM 679 CA LEU A 79 -5.149 1.730 -7.882 1.00 0.00 C ATOM 680 C LEU A 79 -5.768 0.608 -8.712 1.00 0.00 C ATOM 681 O LEU A 79 -6.236 0.839 -9.828 1.00 0.00 O ATOM 682 CB LEU A 79 -3.621 1.613 -7.901 1.00 0.00 C ATOM 683 CG LEU A 79 -2.865 2.829 -7.355 1.00 0.00 C ATOM 684 CD1 LEU A 79 -1.449 2.441 -6.953 1.00 0.00 C ATOM 685 CD2 LEU A 79 -2.842 3.951 -8.384 1.00 0.00 C ATOM 0 H LEU A 79 -4.937 1.494 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.436 2.685 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.333 0.736 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.299 1.436 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.387 3.189 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.927 3.317 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.488 1.673 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.917 2.055 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.301 4.806 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.345 3.604 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.864 4.248 -8.622 1.00 0.00 H new ATOM 697 N ILE A 80 -5.775 -0.605 -8.157 1.00 0.00 N ATOM 698 CA ILE A 80 -6.344 -1.762 -8.846 1.00 0.00 C ATOM 699 C ILE A 80 -7.851 -1.594 -9.046 1.00 0.00 C ATOM 700 O ILE A 80 -8.376 -1.886 -10.121 1.00 0.00 O ATOM 701 CB ILE A 80 -6.074 -3.080 -8.081 1.00 0.00 C ATOM 702 CG1 ILE A 80 -4.575 -3.242 -7.803 1.00 0.00 C ATOM 703 CG2 ILE A 80 -6.600 -4.272 -8.872 1.00 0.00 C ATOM 704 CD1 ILE A 80 -4.257 -4.323 -6.792 1.00 0.00 C ATOM 0 H ILE A 80 -5.393 -0.811 -7.234 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.853 -1.820 -9.818 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.599 -3.039 -7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.064 -3.470 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.176 -2.293 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.402 -5.191 -8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.674 -4.163 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.101 -4.315 -9.840 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.178 -4.379 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.739 -4.087 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.625 -5.282 -7.157 1.00 0.00 H new ATOM 716 N ALA A 81 -8.540 -1.117 -8.007 1.00 0.00 N ATOM 717 CA ALA A 81 -9.986 -0.906 -8.071 1.00 0.00 C ATOM 718 C ALA A 81 -10.352 0.168 -9.095 1.00 0.00 C ATOM 719 O ALA A 81 -11.397 0.084 -9.741 1.00 0.00 O ATOM 720 CB ALA A 81 -10.532 -0.532 -6.701 1.00 0.00 C ATOM 0 H ALA A 81 -8.119 -0.870 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.441 -1.844 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.609 -0.379 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.323 -1.335 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.056 0.386 -6.358 1.00 0.00 H new ATOM 726 N THR A 82 -9.490 1.177 -9.239 1.00 0.00 N ATOM 727 CA THR A 82 -9.733 2.260 -10.189 1.00 0.00 C ATOM 728 C THR A 82 -9.495 1.781 -11.624 1.00 0.00 C ATOM 729 O THR A 82 -10.420 1.761 -12.438 1.00 0.00 O ATOM 730 CB THR A 82 -8.844 3.472 -9.862 1.00 0.00 C ATOM 731 OG1 THR A 82 -9.111 3.960 -8.556 1.00 0.00 O ATOM 732 CG2 THR A 82 -9.021 4.632 -10.818 1.00 0.00 C ATOM 0 H THR A 82 -8.622 1.265 -8.711 1.00 0.00 H new ATOM 0 HA THR A 82 -10.775 2.568 -10.103 1.00 0.00 H new ATOM 0 HB THR A 82 -7.823 3.099 -9.950 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.687 3.374 -7.895 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.362 5.449 -10.524 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.772 4.311 -11.830 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.056 4.972 -10.790 1.00 0.00 H new ATOM 740 N ASN A 83 -8.256 1.383 -11.922 1.00 0.00 N ATOM 741 CA ASN A 83 -7.903 0.889 -13.260 1.00 0.00 C ATOM 742 C ASN A 83 -6.436 0.450 -13.343 1.00 0.00 C ATOM 743 O ASN A 83 -6.107 -0.469 -14.095 1.00 0.00 O ATOM 744 CB ASN A 83 -8.193 1.940 -14.346 1.00 0.00 C ATOM 745 CG ASN A 83 -8.043 3.374 -13.862 1.00 0.00 C ATOM 746 OD1 ASN A 83 -9.028 4.098 -13.727 1.00 0.00 O ATOM 747 ND2 ASN A 83 -6.809 3.796 -13.610 1.00 0.00 N ATOM 0 H ASN A 83 -7.481 1.392 -11.259 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.531 0.017 -13.439 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.519 1.777 -15.187 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.207 1.795 -14.718 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.652 4.752 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.018 3.164 -13.735 1.00 0.00 H new ATOM 754 N ASN A 84 -5.557 1.109 -12.581 1.00 0.00 N ATOM 755 CA ASN A 84 -4.133 0.775 -12.590 1.00 0.00 C ATOM 756 C ASN A 84 -3.896 -0.636 -12.066 1.00 0.00 C ATOM 757 O ASN A 84 -3.834 -0.866 -10.856 1.00 0.00 O ATOM 758 CB ASN A 84 -3.338 1.780 -11.761 1.00 0.00 C ATOM 759 CG ASN A 84 -2.773 2.900 -12.611 1.00 0.00 C ATOM 760 OD1 ASN A 84 -1.627 2.838 -13.055 1.00 0.00 O ATOM 761 ND2 ASN A 84 -3.576 3.930 -12.847 1.00 0.00 N ATOM 0 H ASN A 84 -5.807 1.873 -11.953 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.789 0.820 -13.623 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.981 2.201 -10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.523 1.265 -11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.250 4.711 -13.416 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.519 3.941 -12.459 1.00 0.00 H new ATOM 768 N VAL A 85 -3.764 -1.571 -12.997 1.00 0.00 N ATOM 769 CA VAL A 85 -3.532 -2.974 -12.667 1.00 0.00 C ATOM 770 C VAL A 85 -2.435 -3.566 -13.557 1.00 0.00 C ATOM 771 O VAL A 85 -2.550 -4.695 -14.039 1.00 0.00 O ATOM 772 CB VAL A 85 -4.824 -3.812 -12.817 1.00 0.00 C ATOM 773 CG1 VAL A 85 -4.669 -5.162 -12.134 1.00 0.00 C ATOM 774 CG2 VAL A 85 -6.031 -3.065 -12.258 1.00 0.00 C ATOM 0 H VAL A 85 -3.814 -1.382 -13.998 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.212 -3.012 -11.626 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.994 -3.979 -13.881 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.588 -5.736 -12.251 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.841 -5.706 -12.588 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.467 -5.012 -11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.925 -3.677 -12.377 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.872 -2.856 -11.200 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.160 -2.127 -12.797 1.00 0.00 H new ATOM 784 N THR A 86 -1.371 -2.792 -13.774 1.00 0.00 N ATOM 785 CA THR A 86 -0.255 -3.235 -14.608 1.00 0.00 C ATOM 786 C THR A 86 1.078 -3.114 -13.860 1.00 0.00 C ATOM 787 O THR A 86 2.099 -2.748 -14.446 1.00 0.00 O ATOM 788 CB THR A 86 -0.218 -2.422 -15.909 1.00 0.00 C ATOM 789 OG1 THR A 86 -0.128 -1.033 -15.636 1.00 0.00 O ATOM 790 CG2 THR A 86 -1.435 -2.638 -16.786 1.00 0.00 C ATOM 0 H THR A 86 -1.259 -1.856 -13.384 1.00 0.00 H new ATOM 0 HA THR A 86 -0.405 -4.287 -14.851 1.00 0.00 H new ATOM 0 HB THR A 86 0.664 -2.777 -16.442 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.104 -0.535 -16.480 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.345 -2.034 -17.689 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.504 -3.691 -17.059 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.333 -2.345 -16.242 1.00 0.00 H new ATOM 798 N HIS A 87 1.059 -3.427 -12.561 1.00 0.00 N ATOM 799 CA HIS A 87 2.262 -3.357 -11.728 1.00 0.00 C ATOM 800 C HIS A 87 2.003 -3.952 -10.339 1.00 0.00 C ATOM 801 O HIS A 87 0.867 -4.287 -10.000 1.00 0.00 O ATOM 802 CB HIS A 87 2.729 -1.903 -11.590 1.00 0.00 C ATOM 803 CG HIS A 87 1.803 -1.055 -10.773 1.00 0.00 C ATOM 804 ND1 HIS A 87 0.694 -0.427 -11.301 1.00 0.00 N ATOM 805 CD2 HIS A 87 1.814 -0.751 -9.454 1.00 0.00 C ATOM 806 CE1 HIS A 87 0.063 0.226 -10.343 1.00 0.00 C ATOM 807 NE2 HIS A 87 0.721 0.044 -9.213 1.00 0.00 N ATOM 0 H HIS A 87 0.222 -3.732 -12.063 1.00 0.00 H new ATOM 0 HA HIS A 87 3.043 -3.941 -12.215 1.00 0.00 H new ATOM 0 HB2 HIS A 87 3.719 -1.889 -11.135 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.829 -1.466 -12.583 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.545 -1.073 -8.728 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.838 0.810 -10.463 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.459 0.432 -8.307 1.00 0.00 H new ATOM 816 N LYS A 88 3.064 -4.067 -9.537 1.00 0.00 N ATOM 817 CA LYS A 88 2.958 -4.607 -8.180 1.00 0.00 C ATOM 818 C LYS A 88 3.908 -3.874 -7.233 1.00 0.00 C ATOM 819 O LYS A 88 4.927 -3.331 -7.664 1.00 0.00 O ATOM 820 CB LYS A 88 3.270 -6.108 -8.172 1.00 0.00 C ATOM 821 CG LYS A 88 2.089 -6.983 -8.568 1.00 0.00 C ATOM 822 CD LYS A 88 2.095 -7.292 -10.057 1.00 0.00 C ATOM 823 CE LYS A 88 2.663 -8.675 -10.339 1.00 0.00 C ATOM 824 NZ LYS A 88 2.708 -8.974 -11.799 1.00 0.00 N ATOM 0 H LYS A 88 4.009 -3.792 -9.805 1.00 0.00 H new ATOM 0 HA LYS A 88 1.935 -4.458 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.098 -6.301 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.605 -6.395 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.120 -7.914 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.159 -6.480 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.079 -7.229 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.685 -6.541 -10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.668 -8.746 -9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.056 -9.426 -9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.101 -9.925 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.746 -8.932 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.308 -8.273 -12.279 1.00 0.00 H new ATOM 838 N ILE A 89 3.572 -3.862 -5.942 1.00 0.00 N ATOM 839 CA ILE A 89 4.404 -3.193 -4.943 1.00 0.00 C ATOM 840 C ILE A 89 5.614 -4.049 -4.576 1.00 0.00 C ATOM 841 O ILE A 89 5.500 -4.996 -3.801 1.00 0.00 O ATOM 842 CB ILE A 89 3.615 -2.865 -3.655 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.313 -2.129 -3.986 1.00 0.00 C ATOM 844 CG2 ILE A 89 4.471 -2.031 -2.709 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.381 -1.992 -2.801 1.00 0.00 C ATOM 0 H ILE A 89 2.734 -4.306 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 89 4.737 -2.259 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 89 3.360 -3.803 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.552 -1.136 -4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.797 -2.661 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.903 -1.807 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.369 -2.589 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.754 -1.100 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.479 -1.461 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.112 -2.982 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.880 -1.434 -2.009 1.00 0.00 H new ATOM 857 N THR A 90 6.771 -3.706 -5.136 1.00 0.00 N ATOM 858 CA THR A 90 8.005 -4.443 -4.863 1.00 0.00 C ATOM 859 C THR A 90 8.572 -4.061 -3.495 1.00 0.00 C ATOM 860 O THR A 90 8.070 -3.144 -2.844 1.00 0.00 O ATOM 861 CB THR A 90 9.041 -4.167 -5.959 1.00 0.00 C ATOM 862 OG1 THR A 90 9.521 -2.835 -5.873 1.00 0.00 O ATOM 863 CG2 THR A 90 8.502 -4.369 -7.360 1.00 0.00 C ATOM 0 H THR A 90 6.882 -2.924 -5.781 1.00 0.00 H new ATOM 0 HA THR A 90 7.773 -5.508 -4.855 1.00 0.00 H new ATOM 0 HB THR A 90 9.840 -4.888 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.182 -2.679 -6.580 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.287 -4.157 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.169 -5.400 -7.477 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.662 -3.695 -7.527 1.00 0.00 H new ATOM 871 N GLU A 91 9.622 -4.765 -3.066 1.00 0.00 N ATOM 872 CA GLU A 91 10.254 -4.486 -1.775 1.00 0.00 C ATOM 873 C GLU A 91 10.671 -3.018 -1.679 1.00 0.00 C ATOM 874 O GLU A 91 10.495 -2.381 -0.640 1.00 0.00 O ATOM 875 CB GLU A 91 11.471 -5.391 -1.560 1.00 0.00 C ATOM 876 CG GLU A 91 11.914 -5.473 -0.107 1.00 0.00 C ATOM 877 CD GLU A 91 13.246 -6.177 0.062 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.273 -7.423 -0.018 1.00 0.00 O ATOM 879 OE2 GLU A 91 14.261 -5.482 0.277 1.00 0.00 O ATOM 0 H GLU A 91 10.050 -5.528 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 91 9.522 -4.692 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.237 -6.394 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.300 -5.023 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.986 -4.466 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.154 -5.999 0.471 1.00 0.00 H new ATOM 886 N ALA A 92 11.213 -2.484 -2.773 1.00 0.00 N ATOM 887 CA ALA A 92 11.642 -1.088 -2.814 1.00 0.00 C ATOM 888 C ALA A 92 10.438 -0.146 -2.789 1.00 0.00 C ATOM 889 O ALA A 92 10.460 0.883 -2.112 1.00 0.00 O ATOM 890 CB ALA A 92 12.496 -0.831 -4.050 1.00 0.00 C ATOM 0 H ALA A 92 11.365 -2.997 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 92 12.244 -0.890 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.808 0.213 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.377 -1.472 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.915 -1.050 -4.946 1.00 0.00 H new ATOM 896 N GLU A 93 9.390 -0.507 -3.534 1.00 0.00 N ATOM 897 CA GLU A 93 8.175 0.303 -3.605 1.00 0.00 C ATOM 898 C GLU A 93 7.422 0.311 -2.275 1.00 0.00 C ATOM 899 O GLU A 93 6.927 1.353 -1.848 1.00 0.00 O ATOM 900 CB GLU A 93 7.255 -0.207 -4.720 1.00 0.00 C ATOM 901 CG GLU A 93 7.510 0.451 -6.068 1.00 0.00 C ATOM 902 CD GLU A 93 6.926 1.848 -6.156 1.00 0.00 C ATOM 903 OE1 GLU A 93 7.425 2.749 -5.448 1.00 0.00 O ATOM 904 OE2 GLU A 93 5.968 2.042 -6.933 1.00 0.00 O ATOM 0 H GLU A 93 9.360 -1.357 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 93 8.479 1.326 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.383 -1.285 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.218 -0.035 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.584 0.498 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.082 -0.168 -6.857 1.00 0.00 H new ATOM 911 N ILE A 94 7.330 -0.850 -1.626 1.00 0.00 N ATOM 912 CA ILE A 94 6.624 -0.949 -0.350 1.00 0.00 C ATOM 913 C ILE A 94 7.294 -0.092 0.723 1.00 0.00 C ATOM 914 O ILE A 94 6.611 0.507 1.551 1.00 0.00 O ATOM 915 CB ILE A 94 6.504 -2.411 0.143 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.660 -2.472 1.418 1.00 0.00 C ATOM 917 CG2 ILE A 94 7.873 -3.034 0.379 1.00 0.00 C ATOM 918 CD1 ILE A 94 5.093 -3.844 1.706 1.00 0.00 C ATOM 0 H ILE A 94 7.731 -1.727 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 94 5.617 -0.572 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 94 6.009 -2.989 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.271 -2.156 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.839 -1.760 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.751 -4.061 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.440 -3.029 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.409 -2.459 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.507 -3.810 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.454 -4.155 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.909 -4.558 1.822 1.00 0.00 H new ATOM 930 N VAL A 95 8.624 -0.017 0.695 1.00 0.00 N ATOM 931 CA VAL A 95 9.360 0.792 1.666 1.00 0.00 C ATOM 932 C VAL A 95 9.068 2.279 1.461 1.00 0.00 C ATOM 933 O VAL A 95 8.816 3.003 2.424 1.00 0.00 O ATOM 934 CB VAL A 95 10.885 0.559 1.579 1.00 0.00 C ATOM 935 CG1 VAL A 95 11.616 1.376 2.637 1.00 0.00 C ATOM 936 CG2 VAL A 95 11.215 -0.920 1.719 1.00 0.00 C ATOM 0 H VAL A 95 9.210 -0.502 0.016 1.00 0.00 H new ATOM 0 HA VAL A 95 9.021 0.481 2.654 1.00 0.00 H new ATOM 0 HB VAL A 95 11.223 0.891 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.688 1.197 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.413 2.436 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.271 1.080 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.294 -1.060 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.859 -1.283 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.729 -1.479 0.919 1.00 0.00 H new ATOM 946 N SER A 96 9.095 2.730 0.204 1.00 0.00 N ATOM 947 CA SER A 96 8.825 4.133 -0.112 1.00 0.00 C ATOM 948 C SER A 96 7.381 4.499 0.231 1.00 0.00 C ATOM 949 O SER A 96 7.129 5.535 0.849 1.00 0.00 O ATOM 950 CB SER A 96 9.103 4.424 -1.591 1.00 0.00 C ATOM 951 OG SER A 96 8.935 3.263 -2.389 1.00 0.00 O ATOM 0 H SER A 96 9.300 2.146 -0.607 1.00 0.00 H new ATOM 0 HA SER A 96 9.493 4.745 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.432 5.208 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.120 4.801 -1.704 1.00 0.00 H new ATOM 0 HG SER A 96 8.116 2.797 -2.120 1.00 0.00 H new ATOM 957 N ILE A 97 6.437 3.639 -0.159 1.00 0.00 N ATOM 958 CA ILE A 97 5.024 3.876 0.128 1.00 0.00 C ATOM 959 C ILE A 97 4.766 3.782 1.633 1.00 0.00 C ATOM 960 O ILE A 97 4.029 4.590 2.196 1.00 0.00 O ATOM 961 CB ILE A 97 4.104 2.882 -0.621 1.00 0.00 C ATOM 962 CG1 ILE A 97 4.394 2.910 -2.127 1.00 0.00 C ATOM 963 CG2 ILE A 97 2.639 3.211 -0.359 1.00 0.00 C ATOM 964 CD1 ILE A 97 4.057 1.617 -2.838 1.00 0.00 C ATOM 0 H ILE A 97 6.626 2.777 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 97 4.787 4.880 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 97 4.308 1.878 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.827 3.722 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.450 3.134 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.006 2.503 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.437 3.144 0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.425 4.222 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.289 1.714 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.643 0.803 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.995 1.401 -2.717 1.00 0.00 H new ATOM 976 N LEU A 98 5.399 2.800 2.278 1.00 0.00 N ATOM 977 CA LEU A 98 5.262 2.605 3.721 1.00 0.00 C ATOM 978 C LEU A 98 5.809 3.818 4.477 1.00 0.00 C ATOM 979 O LEU A 98 5.168 4.328 5.397 1.00 0.00 O ATOM 980 CB LEU A 98 6.004 1.333 4.150 1.00 0.00 C ATOM 981 CG LEU A 98 5.941 0.999 5.642 1.00 0.00 C ATOM 982 CD1 LEU A 98 4.830 -0.004 5.917 1.00 0.00 C ATOM 983 CD2 LEU A 98 7.281 0.462 6.126 1.00 0.00 C ATOM 0 H LEU A 98 6.013 2.126 1.821 1.00 0.00 H new ATOM 0 HA LEU A 98 4.205 2.496 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.597 0.491 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.051 1.431 3.862 1.00 0.00 H new ATOM 0 HG LEU A 98 5.720 1.914 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.800 -0.230 6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.874 0.418 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.020 -0.920 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.217 0.230 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.532 -0.442 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.054 1.213 5.964 1.00 0.00 H new ATOM 995 N ASN A 99 6.994 4.281 4.068 1.00 0.00 N ATOM 996 CA ASN A 99 7.632 5.442 4.690 1.00 0.00 C ATOM 997 C ASN A 99 6.800 6.704 4.463 1.00 0.00 C ATOM 998 O ASN A 99 6.701 7.560 5.344 1.00 0.00 O ATOM 999 CB ASN A 99 9.044 5.642 4.129 1.00 0.00 C ATOM 1000 CG ASN A 99 10.115 5.095 5.053 1.00 0.00 C ATOM 1001 OD1 ASN A 99 10.656 5.817 5.889 1.00 0.00 O ATOM 1002 ND2 ASN A 99 10.425 3.812 4.906 1.00 0.00 N ATOM 0 H ASN A 99 7.531 3.867 3.306 1.00 0.00 H new ATOM 0 HA ASN A 99 7.699 5.256 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.120 5.151 3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.219 6.705 3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.138 3.388 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.950 3.250 4.199 1.00 0.00 H new ATOM 1009 N GLY A 100 6.190 6.802 3.281 1.00 0.00 N ATOM 1010 CA GLY A 100 5.360 7.949 2.963 1.00 0.00 C ATOM 1011 C GLY A 100 4.031 7.905 3.690 1.00 0.00 C ATOM 1012 O GLY A 100 3.482 8.944 4.055 1.00 0.00 O ATOM 0 H GLY A 100 6.258 6.105 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.889 8.864 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.184 7.983 1.888 1.00 0.00 H new ATOM 1016 N ILE A 101 3.524 6.689 3.910 1.00 0.00 N ATOM 1017 CA ILE A 101 2.261 6.486 4.610 1.00 0.00 C ATOM 1018 C ILE A 101 2.288 7.157 5.986 1.00 0.00 C ATOM 1019 O ILE A 101 1.322 7.806 6.388 1.00 0.00 O ATOM 1020 CB ILE A 101 1.953 4.975 4.759 1.00 0.00 C ATOM 1021 CG1 ILE A 101 1.210 4.466 3.523 1.00 0.00 C ATOM 1022 CG2 ILE A 101 1.147 4.688 6.020 1.00 0.00 C ATOM 1023 CD1 ILE A 101 1.089 2.959 3.467 1.00 0.00 C ATOM 0 H ILE A 101 3.976 5.826 3.609 1.00 0.00 H new ATOM 0 HA ILE A 101 1.471 6.945 4.016 1.00 0.00 H new ATOM 0 HB ILE A 101 2.902 4.447 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.212 4.903 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.728 4.814 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.950 3.618 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.712 5.011 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.202 5.229 5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.551 2.670 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.084 2.514 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.545 2.605 4.342 1.00 0.00 H new ATOM 1035 N ALA A 102 3.407 7.007 6.695 1.00 0.00 N ATOM 1036 CA ALA A 102 3.564 7.610 8.016 1.00 0.00 C ATOM 1037 C ALA A 102 3.656 9.133 7.916 1.00 0.00 C ATOM 1038 O ALA A 102 3.229 9.848 8.824 1.00 0.00 O ATOM 1039 CB ALA A 102 4.791 7.046 8.721 1.00 0.00 C ATOM 0 H ALA A 102 4.216 6.474 6.376 1.00 0.00 H new ATOM 0 HA ALA A 102 2.682 7.362 8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.891 7.508 9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.681 5.968 8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.681 7.258 8.128 1.00 0.00 H new ATOM 1045 N LYS A 103 4.212 9.624 6.805 1.00 0.00 N ATOM 1046 CA LYS A 103 4.353 11.063 6.587 1.00 0.00 C ATOM 1047 C LYS A 103 3.001 11.703 6.268 1.00 0.00 C ATOM 1048 O LYS A 103 2.670 12.762 6.800 1.00 0.00 O ATOM 1049 CB LYS A 103 5.341 11.342 5.450 1.00 0.00 C ATOM 1050 CG LYS A 103 6.571 12.124 5.888 1.00 0.00 C ATOM 1051 CD LYS A 103 6.487 13.584 5.464 1.00 0.00 C ATOM 1052 CE LYS A 103 6.437 14.516 6.667 1.00 0.00 C ATOM 1053 NZ LYS A 103 5.046 14.950 6.988 1.00 0.00 N ATOM 0 H LYS A 103 4.571 9.046 6.045 1.00 0.00 H new ATOM 0 HA LYS A 103 4.738 11.503 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.659 10.394 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.829 11.897 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.674 12.064 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.464 11.670 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.349 13.834 4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 103 5.599 13.734 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.867 14.012 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.053 15.393 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.005 15.286 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.766 15.720 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.396 14.147 6.870 1.00 0.00 H new ATOM 1067 N GLN A 104 2.225 11.050 5.398 1.00 0.00 N ATOM 1068 CA GLN A 104 0.906 11.554 5.008 1.00 0.00 C ATOM 1069 C GLN A 104 -0.071 11.554 6.188 1.00 0.00 C ATOM 1070 O GLN A 104 -1.080 12.261 6.157 1.00 0.00 O ATOM 1071 CB GLN A 104 0.330 10.727 3.852 1.00 0.00 C ATOM 1072 CG GLN A 104 0.206 9.241 4.152 1.00 0.00 C ATOM 1073 CD GLN A 104 -0.549 8.490 3.071 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -1.722 8.158 3.236 1.00 0.00 O ATOM 1075 NE2 GLN A 104 0.121 8.222 1.955 1.00 0.00 N ATOM 0 H GLN A 104 2.488 10.172 4.951 1.00 0.00 H new ATOM 0 HA GLN A 104 1.038 12.585 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.654 11.118 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.964 10.858 2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.202 8.811 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.304 9.108 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.093 8.516 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.337 7.722 1.193 1.00 0.00 H new