USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= -1.03 K(o=-2.9,f=-9.8!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -105:sc= -1.91! (180deg=-0.319) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 11 THR OG1 : rot 36:sc= 0.193 USER MOD Set 3.2: A 40 ASN : amide:sc= -2.14 K(o=-2,f=-4.1!) USER MOD Set 3.3: A 59 GLN : amide:sc= -0.0329 X(o=-2,f=-2!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.945 X(o=-0.94,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 86:sc= -0.0282 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= -1.12 F(o=-3.5!,f=-1.1) USER MOD Single : A 52 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.5!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -29:sc= 0.877 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -4.23! C(o=-5.2!,f=-4.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -111:sc= -0.188 (180deg=-0.655) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N MET A 9 2.682 12.478 5.401 1.00 1.00 N ATOM 130 CA MET A 9 1.855 11.408 4.855 1.00 1.00 C ATOM 131 C MET A 9 2.204 11.155 3.394 1.00 1.00 C ATOM 132 O MET A 9 1.966 12.000 2.532 1.00 1.00 O ATOM 133 CB MET A 9 0.377 11.778 4.973 1.00 1.00 C ATOM 134 CG MET A 9 -0.451 10.909 4.023 1.00 1.00 C ATOM 135 SD MET A 9 -2.185 10.929 4.545 1.00 1.00 S ATOM 136 CE MET A 9 -2.893 11.418 2.954 1.00 1.00 C ATOM 0 HA MET A 9 2.047 10.499 5.425 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.038 11.637 5.999 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.236 12.832 4.733 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.363 11.281 3.002 1.00 1.00 H new ATOM 0 HG3 MET A 9 -0.072 9.887 4.024 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.977 11.493 3.046 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.486 12.384 2.656 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.643 10.672 2.200 1.00 1.00 H new ATOM 146 N ASP A 10 2.767 9.984 3.125 1.00 1.00 N ATOM 147 CA ASP A 10 3.146 9.623 1.764 1.00 1.00 C ATOM 148 C ASP A 10 3.598 8.168 1.703 1.00 1.00 C ATOM 149 O ASP A 10 4.397 7.791 0.845 1.00 1.00 O ATOM 150 CB ASP A 10 4.277 10.532 1.276 1.00 1.00 C ATOM 151 CG ASP A 10 5.434 10.499 2.270 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.342 11.180 3.278 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.393 9.791 2.007 1.00 1.00 O ATOM 0 H ASP A 10 2.971 9.272 3.826 1.00 1.00 H new ATOM 0 HA ASP A 10 2.276 9.750 1.119 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.620 10.206 0.294 1.00 1.00 H new ATOM 0 HB3 ASP A 10 3.912 11.553 1.163 1.00 1.00 H new ATOM 158 N THR A 11 3.082 7.358 2.619 1.00 1.00 N ATOM 159 CA THR A 11 3.440 5.945 2.665 1.00 1.00 C ATOM 160 C THR A 11 2.306 5.131 3.278 1.00 1.00 C ATOM 161 O THR A 11 1.743 5.511 4.305 1.00 1.00 O ATOM 162 CB THR A 11 4.718 5.761 3.490 1.00 1.00 C ATOM 163 OG1 THR A 11 5.849 5.986 2.660 1.00 1.00 O ATOM 164 CG2 THR A 11 4.774 4.340 4.054 1.00 1.00 C ATOM 0 H THR A 11 2.419 7.652 3.336 1.00 1.00 H new ATOM 0 HA THR A 11 3.614 5.593 1.648 1.00 1.00 H new ATOM 0 HB THR A 11 4.720 6.473 4.315 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.648 6.701 2.020 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.685 4.217 4.639 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.907 4.167 4.692 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.770 3.622 3.234 1.00 1.00 H new ATOM 172 N ILE A 12 1.978 4.011 2.643 1.00 1.00 N ATOM 173 CA ILE A 12 0.910 3.147 3.132 1.00 1.00 C ATOM 174 C ILE A 12 1.492 1.878 3.746 1.00 1.00 C ATOM 175 O ILE A 12 2.631 1.505 3.460 1.00 1.00 O ATOM 176 CB ILE A 12 -0.027 2.773 1.982 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.790 2.579 0.703 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.047 3.894 1.769 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.034 1.794 -0.320 1.00 1.00 C ATOM 0 H ILE A 12 2.434 3.681 1.792 1.00 1.00 H new ATOM 0 HA ILE A 12 0.350 3.687 3.896 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.549 1.848 2.225 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.073 3.547 0.290 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.714 2.045 0.927 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.715 3.628 0.950 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.629 4.035 2.680 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.525 4.819 1.525 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.550 1.657 -1.230 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.295 0.820 0.093 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.945 2.345 -0.553 1.00 1.00 H new ATOM 191 N ILE A 13 0.702 1.222 4.589 1.00 1.00 N ATOM 192 CA ILE A 13 1.145 -0.009 5.240 1.00 1.00 C ATOM 193 C ILE A 13 0.078 -1.090 5.117 1.00 1.00 C ATOM 194 O ILE A 13 -1.118 -0.804 5.152 1.00 1.00 O ATOM 195 CB ILE A 13 1.457 0.260 6.718 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.573 -0.682 7.176 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.209 0.023 7.577 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.698 -0.623 8.701 1.00 1.00 C ATOM 0 H ILE A 13 -0.242 1.518 4.837 1.00 1.00 H new ATOM 0 HA ILE A 13 2.051 -0.358 4.745 1.00 1.00 H new ATOM 0 HB ILE A 13 1.773 1.297 6.832 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.356 -1.702 6.858 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.517 -0.397 6.712 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.445 0.218 8.623 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.588 0.693 7.254 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.119 -1.011 7.465 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.493 -1.294 9.027 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.935 0.396 9.008 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.756 -0.929 9.155 1.00 1.00 H new ATOM 210 N LEU A 14 0.520 -2.334 4.969 1.00 1.00 N ATOM 211 CA LEU A 14 -0.409 -3.450 4.839 1.00 1.00 C ATOM 212 C LEU A 14 -0.563 -4.171 6.173 1.00 1.00 C ATOM 213 O LEU A 14 0.386 -4.260 6.953 1.00 1.00 O ATOM 214 CB LEU A 14 0.095 -4.433 3.779 1.00 1.00 C ATOM 215 CG LEU A 14 0.735 -3.663 2.624 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.139 -4.641 1.520 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.273 -2.655 2.065 1.00 1.00 C ATOM 0 H LEU A 14 1.506 -2.594 4.936 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.379 -3.058 4.534 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.821 -5.117 4.219 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.732 -5.040 3.410 1.00 1.00 H new ATOM 0 HG LEU A 14 1.618 -3.136 2.984 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.595 -4.092 0.696 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.854 -5.362 1.916 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.256 -5.168 1.159 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.181 -2.105 1.241 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.155 -3.184 1.705 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.564 -1.957 2.850 1.00 1.00 H new ATOM 229 N ARG A 15 -1.766 -4.681 6.427 1.00 1.00 N ATOM 230 CA ARG A 15 -2.043 -5.392 7.669 1.00 1.00 C ATOM 231 C ARG A 15 -2.673 -6.746 7.373 1.00 1.00 C ATOM 232 O ARG A 15 -3.402 -6.897 6.393 1.00 1.00 O ATOM 233 CB ARG A 15 -2.984 -4.551 8.541 1.00 1.00 C ATOM 234 CG ARG A 15 -3.792 -5.452 9.480 1.00 1.00 C ATOM 235 CD ARG A 15 -4.380 -4.607 10.613 1.00 1.00 C ATOM 236 NE ARG A 15 -3.491 -4.632 11.769 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.949 -4.423 12.999 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.217 -4.177 13.189 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.134 -4.466 14.016 1.00 1.00 N ATOM 0 H ARG A 15 -2.561 -4.615 5.791 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.107 -5.556 8.203 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.406 -3.834 9.124 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.660 -3.976 7.908 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.591 -5.947 8.928 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.154 -6.235 9.889 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.522 -3.580 10.276 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.362 -4.990 10.891 1.00 1.00 H new ATOM 0 HE ARG A 15 -2.497 -4.814 11.631 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.855 -4.145 12.394 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.570 -4.016 14.133 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.144 -4.660 13.868 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.487 -4.305 14.959 1.00 1.00 H new ATOM 253 N ASN A 16 -2.382 -7.723 8.227 1.00 1.00 N ATOM 254 CA ASN A 16 -2.918 -9.071 8.068 1.00 1.00 C ATOM 255 C ASN A 16 -2.334 -9.744 6.830 1.00 1.00 C ATOM 256 O ASN A 16 -3.069 -10.216 5.964 1.00 1.00 O ATOM 257 CB ASN A 16 -4.442 -9.017 7.959 1.00 1.00 C ATOM 258 CG ASN A 16 -5.038 -10.395 8.206 1.00 1.00 C ATOM 259 OD1 ASN A 16 -4.683 -11.066 9.176 1.00 1.00 O ATOM 260 ND2 ASN A 16 -5.942 -10.859 7.385 1.00 1.00 N ATOM 0 H ASN A 16 -1.776 -7.606 9.039 1.00 1.00 H new ATOM 0 HA ASN A 16 -2.639 -9.657 8.944 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -4.840 -8.306 8.683 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.730 -8.660 6.970 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.355 -11.778 7.547 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.235 -10.303 6.582 1.00 1.00 H new ATOM 267 N ILE A 17 -1.007 -9.790 6.759 1.00 1.00 N ATOM 268 CA ILE A 17 -0.330 -10.412 5.626 1.00 1.00 C ATOM 269 C ILE A 17 -0.096 -11.896 5.894 1.00 1.00 C ATOM 270 O ILE A 17 0.373 -12.277 6.967 1.00 1.00 O ATOM 271 CB ILE A 17 1.016 -9.722 5.383 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.802 -8.234 5.056 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.756 -10.412 4.234 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.088 -8.062 3.817 1.00 1.00 C ATOM 0 H ILE A 17 -0.382 -9.406 7.468 1.00 1.00 H new ATOM 0 HA ILE A 17 -0.961 -10.306 4.744 1.00 1.00 H new ATOM 0 HB ILE A 17 1.618 -9.796 6.289 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.344 -7.733 5.909 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.766 -7.754 4.885 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.712 -9.916 4.067 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.929 -11.458 4.489 1.00 1.00 H new ATOM 0 HG23 ILE A 17 1.154 -10.354 3.327 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.222 -7.000 3.610 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.384 -8.542 2.960 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.059 -8.521 4.000 1.00 1.00 H new ATOM 286 N ALA A 18 -0.423 -12.734 4.915 1.00 1.00 N ATOM 287 CA ALA A 18 -0.237 -14.174 5.066 1.00 1.00 C ATOM 288 C ALA A 18 1.250 -14.509 5.202 1.00 1.00 C ATOM 289 O ALA A 18 2.106 -13.723 4.801 1.00 1.00 O ATOM 290 CB ALA A 18 -0.820 -14.907 3.857 1.00 1.00 C ATOM 0 H ALA A 18 -0.814 -12.446 4.018 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.756 -14.497 5.968 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.677 -15.981 3.979 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.885 -14.690 3.779 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.314 -14.574 2.951 1.00 1.00 H new ATOM 296 N PRO A 19 1.571 -15.653 5.754 1.00 1.00 N ATOM 297 CA PRO A 19 2.990 -16.085 5.939 1.00 1.00 C ATOM 298 C PRO A 19 3.649 -16.489 4.622 1.00 1.00 C ATOM 299 O PRO A 19 4.851 -16.750 4.573 1.00 1.00 O ATOM 300 CB PRO A 19 2.880 -17.287 6.879 1.00 1.00 C ATOM 301 CG PRO A 19 1.518 -17.846 6.640 1.00 1.00 C ATOM 302 CD PRO A 19 0.625 -16.663 6.264 1.00 1.00 C ATOM 0 HA PRO A 19 3.613 -15.281 6.332 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.652 -18.026 6.665 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.005 -16.986 7.919 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.537 -18.587 5.841 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.142 -18.348 7.532 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.109 -16.941 5.508 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.070 -16.292 7.125 1.00 1.00 H new ATOM 310 N HIS A 20 2.851 -16.546 3.560 1.00 1.00 N ATOM 311 CA HIS A 20 3.363 -16.928 2.247 1.00 1.00 C ATOM 312 C HIS A 20 3.453 -15.716 1.325 1.00 1.00 C ATOM 313 O HIS A 20 3.446 -15.856 0.102 1.00 1.00 O ATOM 314 CB HIS A 20 2.435 -17.966 1.619 1.00 1.00 C ATOM 315 CG HIS A 20 3.063 -18.511 0.366 1.00 1.00 C ATOM 316 ND1 HIS A 20 4.369 -18.977 0.336 1.00 1.00 N ATOM 317 CD2 HIS A 20 2.579 -18.672 -0.907 1.00 1.00 C ATOM 318 CE1 HIS A 20 4.621 -19.393 -0.919 1.00 1.00 C ATOM 319 NE2 HIS A 20 3.564 -19.230 -1.716 1.00 1.00 N ATOM 0 H HIS A 20 1.853 -16.334 3.581 1.00 1.00 H new ATOM 0 HA HIS A 20 4.361 -17.346 2.376 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.247 -18.775 2.325 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.471 -17.514 1.388 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.584 -18.406 -1.232 1.00 1.00 H new ATOM 0 HE1 HIS A 20 5.564 -19.808 -1.241 1.00 1.00 H new ATOM 0 HE2 HIS A 20 3.493 -19.464 -2.706 1.00 1.00 H new ATOM 327 N THR A 21 3.530 -14.531 1.915 1.00 1.00 N ATOM 328 CA THR A 21 3.613 -13.306 1.127 1.00 1.00 C ATOM 329 C THR A 21 5.061 -12.974 0.783 1.00 1.00 C ATOM 330 O THR A 21 5.958 -13.133 1.612 1.00 1.00 O ATOM 331 CB THR A 21 2.985 -12.146 1.896 1.00 1.00 C ATOM 332 OG1 THR A 21 1.628 -12.456 2.185 1.00 1.00 O ATOM 333 CG2 THR A 21 3.050 -10.873 1.051 1.00 1.00 C ATOM 0 H THR A 21 3.537 -14.391 2.925 1.00 1.00 H new ATOM 0 HA THR A 21 3.066 -13.463 0.197 1.00 1.00 H new ATOM 0 HB THR A 21 3.531 -11.987 2.826 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.581 -12.975 3.015 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.601 -10.047 1.602 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.091 -10.637 0.828 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.505 -11.026 0.120 1.00 1.00 H new ATOM 341 N VAL A 22 5.278 -12.510 -0.442 1.00 1.00 N ATOM 342 CA VAL A 22 6.619 -12.152 -0.892 1.00 1.00 C ATOM 343 C VAL A 22 6.594 -10.816 -1.628 1.00 1.00 C ATOM 344 O VAL A 22 5.526 -10.302 -1.965 1.00 1.00 O ATOM 345 CB VAL A 22 7.167 -13.238 -1.818 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.180 -14.096 -1.058 1.00 1.00 C ATOM 347 CG2 VAL A 22 6.015 -14.122 -2.302 1.00 1.00 C ATOM 0 H VAL A 22 4.546 -12.373 -1.139 1.00 1.00 H new ATOM 0 HA VAL A 22 7.265 -12.062 -0.019 1.00 1.00 H new ATOM 0 HB VAL A 22 7.656 -12.772 -2.674 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.570 -14.870 -1.719 1.00 1.00 H new ATOM 0 HG12 VAL A 22 9.001 -13.468 -0.711 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.692 -14.562 -0.202 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.404 -14.897 -2.962 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.528 -14.587 -1.445 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.292 -13.513 -2.844 1.00 1.00 H new ATOM 357 N VAL A 23 7.775 -10.259 -1.878 1.00 1.00 N ATOM 358 CA VAL A 23 7.873 -8.983 -2.576 1.00 1.00 C ATOM 359 C VAL A 23 7.632 -9.169 -4.071 1.00 1.00 C ATOM 360 O VAL A 23 7.255 -8.228 -4.771 1.00 1.00 O ATOM 361 CB VAL A 23 9.258 -8.372 -2.352 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.153 -6.846 -2.379 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.797 -8.821 -0.992 1.00 1.00 C ATOM 0 H VAL A 23 8.670 -10.668 -1.610 1.00 1.00 H new ATOM 0 HA VAL A 23 7.111 -8.313 -2.178 1.00 1.00 H new ATOM 0 HB VAL A 23 9.934 -8.704 -3.140 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.139 -6.411 -2.219 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.767 -6.525 -3.346 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.478 -6.514 -1.590 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.784 -8.387 -0.830 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.121 -8.488 -0.205 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.871 -9.908 -0.971 1.00 1.00 H new ATOM 373 N ASP A 24 7.856 -10.386 -4.555 1.00 1.00 N ATOM 374 CA ASP A 24 7.661 -10.684 -5.971 1.00 1.00 C ATOM 375 C ASP A 24 6.183 -10.607 -6.339 1.00 1.00 C ATOM 376 O ASP A 24 5.817 -10.038 -7.367 1.00 1.00 O ATOM 377 CB ASP A 24 8.196 -12.082 -6.286 1.00 1.00 C ATOM 378 CG ASP A 24 8.961 -12.062 -7.605 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.496 -11.414 -8.529 1.00 1.00 O ATOM 380 OD2 ASP A 24 10.001 -12.698 -7.673 1.00 1.00 O ATOM 0 H ASP A 24 8.170 -11.177 -3.993 1.00 1.00 H new ATOM 0 HA ASP A 24 8.206 -9.944 -6.557 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.850 -12.420 -5.482 1.00 1.00 H new ATOM 0 HB3 ASP A 24 7.371 -12.792 -6.345 1.00 1.00 H new ATOM 385 N SER A 25 5.337 -11.186 -5.493 1.00 1.00 N ATOM 386 CA SER A 25 3.900 -11.178 -5.741 1.00 1.00 C ATOM 387 C SER A 25 3.335 -9.770 -5.580 1.00 1.00 C ATOM 388 O SER A 25 2.496 -9.335 -6.369 1.00 1.00 O ATOM 389 CB SER A 25 3.198 -12.126 -4.769 1.00 1.00 C ATOM 390 OG SER A 25 3.559 -13.466 -5.074 1.00 1.00 O ATOM 0 H SER A 25 5.619 -11.663 -4.636 1.00 1.00 H new ATOM 0 HA SER A 25 3.725 -11.511 -6.764 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.479 -11.886 -3.743 1.00 1.00 H new ATOM 0 HB3 SER A 25 2.117 -12.003 -4.841 1.00 1.00 H new ATOM 0 HG SER A 25 3.111 -14.075 -4.451 1.00 1.00 H new ATOM 396 N ILE A 26 3.800 -9.064 -4.556 1.00 1.00 N ATOM 397 CA ILE A 26 3.332 -7.707 -4.302 1.00 1.00 C ATOM 398 C ILE A 26 3.633 -6.804 -5.494 1.00 1.00 C ATOM 399 O ILE A 26 2.929 -5.822 -5.736 1.00 1.00 O ATOM 400 CB ILE A 26 4.012 -7.147 -3.051 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.573 -7.956 -1.822 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.632 -5.674 -2.874 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.303 -7.351 -1.212 1.00 1.00 C ATOM 0 H ILE A 26 4.496 -9.405 -3.893 1.00 1.00 H new ATOM 0 HA ILE A 26 2.253 -7.737 -4.147 1.00 1.00 H new ATOM 0 HB ILE A 26 5.094 -7.223 -3.160 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.390 -8.992 -2.107 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.372 -7.966 -1.080 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.118 -5.278 -1.982 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.957 -5.107 -3.746 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.551 -5.588 -2.767 1.00 1.00 H new ATOM 0 HD11 ILE A 26 2.004 -7.935 -0.342 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.499 -6.323 -0.909 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.502 -7.365 -1.951 1.00 1.00 H new ATOM 415 N MET A 27 4.684 -7.138 -6.235 1.00 1.00 N ATOM 416 CA MET A 27 5.071 -6.349 -7.400 1.00 1.00 C ATOM 417 C MET A 27 4.064 -6.525 -8.532 1.00 1.00 C ATOM 418 O MET A 27 3.446 -5.559 -8.981 1.00 1.00 O ATOM 419 CB MET A 27 6.459 -6.776 -7.882 1.00 1.00 C ATOM 420 CG MET A 27 7.534 -6.014 -7.102 1.00 1.00 C ATOM 421 SD MET A 27 7.952 -4.490 -7.987 1.00 1.00 S ATOM 422 CE MET A 27 9.709 -4.454 -7.559 1.00 1.00 C ATOM 0 H MET A 27 5.280 -7.945 -6.052 1.00 1.00 H new ATOM 0 HA MET A 27 5.092 -5.299 -7.109 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.588 -7.849 -7.744 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.561 -6.577 -8.949 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.174 -5.779 -6.100 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.422 -6.635 -6.984 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.175 -3.578 -8.010 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.819 -4.407 -6.476 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.193 -5.356 -7.934 1.00 1.00 H new ATOM 432 N THR A 28 3.908 -7.762 -8.990 1.00 1.00 N ATOM 433 CA THR A 28 2.978 -8.052 -10.077 1.00 1.00 C ATOM 434 C THR A 28 1.535 -7.819 -9.639 1.00 1.00 C ATOM 435 O THR A 28 0.658 -7.577 -10.469 1.00 1.00 O ATOM 436 CB THR A 28 3.147 -9.504 -10.532 1.00 1.00 C ATOM 437 OG1 THR A 28 4.530 -9.797 -10.670 1.00 1.00 O ATOM 438 CG2 THR A 28 2.443 -9.704 -11.875 1.00 1.00 C ATOM 0 H THR A 28 4.408 -8.575 -8.630 1.00 1.00 H new ATOM 0 HA THR A 28 3.201 -7.379 -10.905 1.00 1.00 H new ATOM 0 HB THR A 28 2.707 -10.172 -9.791 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.640 -10.727 -10.960 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.564 -10.738 -12.199 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.382 -9.479 -11.767 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.881 -9.038 -12.618 1.00 1.00 H new ATOM 446 N ALA A 29 1.291 -7.901 -8.335 1.00 1.00 N ATOM 447 CA ALA A 29 -0.054 -7.704 -7.806 1.00 1.00 C ATOM 448 C ALA A 29 -0.444 -6.228 -7.834 1.00 1.00 C ATOM 449 O ALA A 29 -1.610 -5.889 -8.031 1.00 1.00 O ATOM 450 CB ALA A 29 -0.133 -8.226 -6.371 1.00 1.00 C ATOM 0 H ALA A 29 2.001 -8.101 -7.630 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.749 -8.258 -8.436 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.141 -8.075 -5.984 1.00 1.00 H new ATOM 0 HB2 ALA A 29 0.105 -9.290 -6.357 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.580 -7.686 -5.748 1.00 1.00 H new ATOM 456 N LEU A 30 0.538 -5.356 -7.629 1.00 1.00 N ATOM 457 CA LEU A 30 0.283 -3.918 -7.624 1.00 1.00 C ATOM 458 C LEU A 30 0.713 -3.282 -8.945 1.00 1.00 C ATOM 459 O LEU A 30 0.718 -2.059 -9.083 1.00 1.00 O ATOM 460 CB LEU A 30 1.037 -3.256 -6.468 1.00 1.00 C ATOM 461 CG LEU A 30 0.355 -3.594 -5.133 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.236 -3.119 -3.978 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.013 -2.903 -5.041 1.00 1.00 C ATOM 0 H LEU A 30 1.511 -5.616 -7.465 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.789 -3.764 -7.497 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.072 -3.599 -6.454 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.061 -2.176 -6.610 1.00 1.00 H new ATOM 0 HG LEU A 30 0.213 -4.673 -5.075 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.754 -3.358 -3.030 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.203 -3.619 -4.029 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.380 -2.041 -4.050 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.483 -3.152 -4.090 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.880 -1.823 -5.108 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.648 -3.242 -5.860 1.00 1.00 H new ATOM 475 N SER A 31 1.085 -4.119 -9.908 1.00 1.00 N ATOM 476 CA SER A 31 1.526 -3.628 -11.210 1.00 1.00 C ATOM 477 C SER A 31 0.426 -2.829 -11.914 1.00 1.00 C ATOM 478 O SER A 31 0.654 -1.691 -12.324 1.00 1.00 O ATOM 479 CB SER A 31 1.964 -4.798 -12.093 1.00 1.00 C ATOM 480 OG SER A 31 3.371 -4.735 -12.290 1.00 1.00 O ATOM 0 H SER A 31 1.090 -5.135 -9.813 1.00 1.00 H new ATOM 0 HA SER A 31 2.372 -2.961 -11.043 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.692 -5.744 -11.625 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.448 -4.758 -13.052 1.00 1.00 H new ATOM 0 HG SER A 31 3.656 -5.484 -12.854 1.00 1.00 H new ATOM 486 N PRO A 32 -0.752 -3.389 -12.073 1.00 1.00 N ATOM 487 CA PRO A 32 -1.875 -2.688 -12.754 1.00 1.00 C ATOM 488 C PRO A 32 -2.527 -1.640 -11.859 1.00 1.00 C ATOM 489 O PRO A 32 -3.401 -0.891 -12.295 1.00 1.00 O ATOM 490 CB PRO A 32 -2.857 -3.812 -13.082 1.00 1.00 C ATOM 491 CG PRO A 32 -2.612 -4.864 -12.054 1.00 1.00 C ATOM 492 CD PRO A 32 -1.147 -4.740 -11.625 1.00 1.00 C ATOM 0 HA PRO A 32 -1.540 -2.138 -13.633 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.887 -3.457 -13.044 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.690 -4.199 -14.087 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.276 -4.731 -11.200 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.812 -5.855 -12.461 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.037 -4.850 -10.546 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.530 -5.510 -12.088 1.00 1.00 H new ATOM 500 N TYR A 33 -2.094 -1.593 -10.606 1.00 1.00 N ATOM 501 CA TYR A 33 -2.643 -0.634 -9.654 1.00 1.00 C ATOM 502 C TYR A 33 -1.737 0.587 -9.534 1.00 1.00 C ATOM 503 O TYR A 33 -2.200 1.686 -9.226 1.00 1.00 O ATOM 504 CB TYR A 33 -2.804 -1.291 -8.284 1.00 1.00 C ATOM 505 CG TYR A 33 -3.886 -2.343 -8.354 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.571 -3.649 -8.745 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.204 -2.008 -8.025 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.577 -4.622 -8.808 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.209 -2.981 -8.087 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.896 -4.288 -8.479 1.00 1.00 C ATOM 511 OH TYR A 33 -6.886 -5.247 -8.539 1.00 1.00 O ATOM 0 H TYR A 33 -1.370 -2.202 -10.226 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.618 -0.311 -10.018 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.862 -1.743 -7.973 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.060 -0.540 -7.536 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.553 -3.907 -8.998 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.446 -1.000 -7.723 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.335 -5.630 -9.110 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.226 -2.723 -7.832 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.743 -4.849 -8.278 1.00 1.00 H new ATOM 521 N ALA A 34 -0.445 0.392 -9.778 1.00 1.00 N ATOM 522 CA ALA A 34 0.511 1.490 -9.694 1.00 1.00 C ATOM 523 C ALA A 34 1.937 0.970 -9.851 1.00 1.00 C ATOM 524 O ALA A 34 2.152 -0.224 -10.061 1.00 1.00 O ATOM 525 CB ALA A 34 0.372 2.201 -8.346 1.00 1.00 C ATOM 0 H ALA A 34 -0.039 -0.508 -10.033 1.00 1.00 H new ATOM 0 HA ALA A 34 0.301 2.194 -10.500 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.089 3.020 -8.291 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.639 2.597 -8.246 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.566 1.494 -7.540 1.00 1.00 H new ATOM 531 N SER A 35 2.905 1.878 -9.749 1.00 1.00 N ATOM 532 CA SER A 35 4.311 1.509 -9.880 1.00 1.00 C ATOM 533 C SER A 35 5.042 1.719 -8.559 1.00 1.00 C ATOM 534 O SER A 35 4.932 2.778 -7.941 1.00 1.00 O ATOM 535 CB SER A 35 4.972 2.355 -10.969 1.00 1.00 C ATOM 536 OG SER A 35 6.176 1.726 -11.385 1.00 1.00 O ATOM 0 H SER A 35 2.742 2.870 -9.577 1.00 1.00 H new ATOM 0 HA SER A 35 4.369 0.455 -10.153 1.00 1.00 H new ATOM 0 HB2 SER A 35 4.296 2.470 -11.817 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.182 3.355 -10.591 1.00 1.00 H new ATOM 0 HG SER A 35 6.602 2.265 -12.084 1.00 1.00 H new ATOM 542 N LEU A 36 5.787 0.701 -8.135 1.00 1.00 N ATOM 543 CA LEU A 36 6.536 0.779 -6.885 1.00 1.00 C ATOM 544 C LEU A 36 8.035 0.787 -7.163 1.00 1.00 C ATOM 545 O LEU A 36 8.460 0.824 -8.318 1.00 1.00 O ATOM 546 CB LEU A 36 6.187 -0.411 -5.984 1.00 1.00 C ATOM 547 CG LEU A 36 5.427 -1.472 -6.786 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.366 -2.769 -5.980 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.000 -0.990 -7.068 1.00 1.00 C ATOM 0 H LEU A 36 5.888 -0.182 -8.635 1.00 1.00 H new ATOM 0 HA LEU A 36 6.264 1.705 -6.378 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.098 -0.842 -5.568 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.580 -0.075 -5.143 1.00 1.00 H new ATOM 0 HG LEU A 36 5.944 -1.645 -7.730 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.826 -3.526 -6.549 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.378 -3.120 -5.779 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.851 -2.587 -5.037 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.466 -1.749 -7.639 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.483 -0.814 -6.125 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.035 -0.064 -7.641 1.00 1.00 H new ATOM 561 N ALA A 37 8.830 0.754 -6.100 1.00 1.00 N ATOM 562 CA ALA A 37 10.280 0.761 -6.246 1.00 1.00 C ATOM 563 C ALA A 37 10.932 -0.102 -5.168 1.00 1.00 C ATOM 564 O ALA A 37 10.636 0.040 -3.982 1.00 1.00 O ATOM 565 CB ALA A 37 10.805 2.197 -6.158 1.00 1.00 C ATOM 0 H ALA A 37 8.499 0.722 -5.136 1.00 1.00 H new ATOM 0 HA ALA A 37 10.534 0.346 -7.221 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.889 2.195 -6.268 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.361 2.796 -6.953 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.539 2.623 -5.191 1.00 1.00 H new ATOM 571 N VAL A 38 11.811 -1.005 -5.594 1.00 1.00 N ATOM 572 CA VAL A 38 12.497 -1.899 -4.667 1.00 1.00 C ATOM 573 C VAL A 38 13.093 -1.131 -3.487 1.00 1.00 C ATOM 574 O VAL A 38 13.069 -1.606 -2.351 1.00 1.00 O ATOM 575 CB VAL A 38 13.612 -2.645 -5.401 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.517 -3.342 -4.383 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.998 -3.689 -6.335 1.00 1.00 C ATOM 0 H VAL A 38 12.064 -1.137 -6.573 1.00 1.00 H new ATOM 0 HA VAL A 38 11.765 -2.607 -4.279 1.00 1.00 H new ATOM 0 HB VAL A 38 14.200 -1.936 -5.984 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.312 -3.874 -4.907 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.955 -2.599 -3.717 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.930 -4.051 -3.799 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.792 -4.221 -6.858 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.410 -4.398 -5.752 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.354 -3.193 -7.061 1.00 1.00 H new ATOM 587 N ASN A 39 13.642 0.047 -3.765 1.00 1.00 N ATOM 588 CA ASN A 39 14.259 0.860 -2.719 1.00 1.00 C ATOM 589 C ASN A 39 13.216 1.664 -1.943 1.00 1.00 C ATOM 590 O ASN A 39 13.566 2.463 -1.073 1.00 1.00 O ATOM 591 CB ASN A 39 15.277 1.820 -3.341 1.00 1.00 C ATOM 592 CG ASN A 39 14.586 2.724 -4.357 1.00 1.00 C ATOM 593 OD1 ASN A 39 13.603 3.490 -3.971 1.00 1.00 O flip ATOM 594 ND2 ASN A 39 14.951 2.732 -5.531 1.00 1.00 N flip ATOM 0 H ASN A 39 13.673 0.459 -4.698 1.00 1.00 H new ATOM 0 HA ASN A 39 14.757 0.184 -2.023 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.743 2.424 -2.562 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.073 1.255 -3.826 1.00 1.00 H new ATOM 0 HD21 ASN A 39 15.720 2.132 -5.830 1.00 1.00 H new ATOM 0 HD22 ASN A 39 14.485 3.339 -6.206 1.00 1.00 H new ATOM 601 N ASN A 40 11.942 1.453 -2.263 1.00 1.00 N ATOM 602 CA ASN A 40 10.858 2.170 -1.586 1.00 1.00 C ATOM 603 C ASN A 40 9.945 1.197 -0.843 1.00 1.00 C ATOM 604 O ASN A 40 8.961 1.608 -0.229 1.00 1.00 O ATOM 605 CB ASN A 40 10.034 2.959 -2.614 1.00 1.00 C ATOM 606 CG ASN A 40 9.791 4.394 -2.150 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.962 4.719 -0.975 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.389 5.278 -3.021 1.00 1.00 N ATOM 0 H ASN A 40 11.633 0.797 -2.981 1.00 1.00 H new ATOM 0 HA ASN A 40 11.300 2.856 -0.864 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.556 2.968 -3.571 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.078 2.461 -2.776 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.216 6.240 -2.729 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.248 5.007 -3.994 1.00 1.00 H new ATOM 615 N ILE A 41 10.272 -0.092 -0.901 1.00 1.00 N ATOM 616 CA ILE A 41 9.471 -1.102 -0.230 1.00 1.00 C ATOM 617 C ILE A 41 10.367 -2.078 0.525 1.00 1.00 C ATOM 618 O ILE A 41 11.329 -2.613 -0.031 1.00 1.00 O ATOM 619 CB ILE A 41 8.626 -1.857 -1.255 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.524 -2.743 -2.123 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.891 -0.854 -2.146 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.743 -3.215 -3.350 1.00 1.00 C ATOM 0 H ILE A 41 11.082 -0.456 -1.403 1.00 1.00 H new ATOM 0 HA ILE A 41 8.813 -0.609 0.486 1.00 1.00 H new ATOM 0 HB ILE A 41 7.904 -2.483 -0.731 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.409 -2.188 -2.434 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.871 -3.601 -1.548 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.288 -1.391 -2.878 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.244 -0.228 -1.532 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.617 -0.227 -2.664 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.382 -3.846 -3.968 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.871 -3.786 -3.029 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.418 -2.351 -3.929 1.00 1.00 H new ATOM 634 N ARG A 42 10.049 -2.302 1.796 1.00 1.00 N ATOM 635 CA ARG A 42 10.830 -3.212 2.625 1.00 1.00 C ATOM 636 C ARG A 42 9.910 -4.166 3.376 1.00 1.00 C ATOM 637 O ARG A 42 9.253 -3.778 4.341 1.00 1.00 O ATOM 638 CB ARG A 42 11.672 -2.417 3.626 1.00 1.00 C ATOM 639 CG ARG A 42 12.742 -3.328 4.228 1.00 1.00 C ATOM 640 CD ARG A 42 13.617 -2.522 5.188 1.00 1.00 C ATOM 641 NE ARG A 42 13.922 -3.311 6.378 1.00 1.00 N ATOM 642 CZ ARG A 42 14.625 -4.434 6.296 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.055 -4.852 5.136 1.00 1.00 N ATOM 644 NH2 ARG A 42 14.886 -5.122 7.374 1.00 1.00 N ATOM 0 H ARG A 42 9.259 -1.867 2.273 1.00 1.00 H new ATOM 0 HA ARG A 42 11.489 -3.791 1.978 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.140 -1.567 3.130 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.036 -2.015 4.414 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.273 -4.158 4.757 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.354 -3.760 3.436 1.00 1.00 H new ATOM 0 HD2 ARG A 42 14.542 -2.230 4.690 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.105 -1.603 5.474 1.00 1.00 H new ATOM 0 HE ARG A 42 13.589 -2.994 7.288 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.851 -4.316 4.293 1.00 1.00 H new ATOM 0 HH12 ARG A 42 15.595 -5.715 5.073 1.00 1.00 H new ATOM 0 HH21 ARG A 42 14.550 -4.797 8.280 1.00 1.00 H new ATOM 0 HH22 ARG A 42 15.426 -5.985 7.310 1.00 1.00 H new ATOM 658 N LEU A 43 9.869 -5.416 2.930 1.00 1.00 N ATOM 659 CA LEU A 43 9.025 -6.412 3.578 1.00 1.00 C ATOM 660 C LEU A 43 9.794 -7.103 4.698 1.00 1.00 C ATOM 661 O LEU A 43 10.671 -7.929 4.448 1.00 1.00 O ATOM 662 CB LEU A 43 8.556 -7.449 2.553 1.00 1.00 C ATOM 663 CG LEU A 43 7.563 -8.418 3.204 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.352 -8.602 2.288 1.00 1.00 C ATOM 665 CD2 LEU A 43 8.243 -9.768 3.424 1.00 1.00 C ATOM 0 H LEU A 43 10.403 -5.761 2.132 1.00 1.00 H new ATOM 0 HA LEU A 43 8.155 -5.912 4.002 1.00 1.00 H new ATOM 0 HB2 LEU A 43 8.086 -6.949 1.706 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.412 -8.000 2.163 1.00 1.00 H new ATOM 0 HG LEU A 43 7.235 -8.013 4.161 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.646 -9.291 2.752 1.00 1.00 H new ATOM 0 HD12 LEU A 43 5.867 -7.639 2.128 1.00 1.00 H new ATOM 0 HD13 LEU A 43 6.679 -9.007 1.330 1.00 1.00 H new ATOM 0 HD21 LEU A 43 7.539 -10.459 3.887 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.570 -10.171 2.466 1.00 1.00 H new ATOM 0 HD23 LEU A 43 9.106 -9.638 4.077 1.00 1.00 H new ATOM 677 N ILE A 44 9.462 -6.750 5.934 1.00 1.00 N ATOM 678 CA ILE A 44 10.129 -7.333 7.092 1.00 1.00 C ATOM 679 C ILE A 44 9.921 -8.843 7.126 1.00 1.00 C ATOM 680 O ILE A 44 8.858 -9.338 6.757 1.00 1.00 O ATOM 681 CB ILE A 44 9.576 -6.708 8.374 1.00 1.00 C ATOM 682 CG1 ILE A 44 10.474 -7.083 9.557 1.00 1.00 C ATOM 683 CG2 ILE A 44 8.159 -7.228 8.628 1.00 1.00 C ATOM 684 CD1 ILE A 44 11.262 -5.851 10.007 1.00 1.00 C ATOM 0 H ILE A 44 8.739 -6.067 6.160 1.00 1.00 H new ATOM 0 HA ILE A 44 11.197 -7.130 7.018 1.00 1.00 H new ATOM 0 HB ILE A 44 9.552 -5.624 8.265 1.00 1.00 H new ATOM 0 HG12 ILE A 44 9.869 -7.463 10.381 1.00 1.00 H new ATOM 0 HG13 ILE A 44 11.158 -7.881 9.270 1.00 1.00 H new ATOM 0 HG21 ILE A 44 7.766 -6.782 9.542 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.517 -6.960 7.789 1.00 1.00 H new ATOM 0 HG23 ILE A 44 8.183 -8.312 8.735 1.00 1.00 H new ATOM 0 HD11 ILE A 44 11.902 -6.116 10.849 1.00 1.00 H new ATOM 0 HD12 ILE A 44 11.878 -5.492 9.182 1.00 1.00 H new ATOM 0 HD13 ILE A 44 10.569 -5.067 10.311 1.00 1.00 H new ATOM 817 N ASN A 52 7.197 -12.817 6.686 1.00 1.00 N ATOM 818 CA ASN A 52 6.620 -11.628 7.307 1.00 1.00 C ATOM 819 C ASN A 52 5.789 -11.990 8.539 1.00 1.00 C ATOM 820 O ASN A 52 5.109 -13.016 8.562 1.00 1.00 O ATOM 821 CB ASN A 52 5.742 -10.910 6.279 1.00 1.00 C ATOM 822 CG ASN A 52 5.330 -11.887 5.180 1.00 1.00 C ATOM 823 OD1 ASN A 52 5.509 -11.600 3.997 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.775 -13.024 5.502 1.00 1.00 N ATOM 0 HA ASN A 52 7.430 -10.975 7.634 1.00 1.00 H new ATOM 0 HB2 ASN A 52 4.857 -10.501 6.766 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.285 -10.070 5.847 1.00 1.00 H new ATOM 0 HD21 ASN A 52 4.489 -13.677 4.772 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.628 -13.260 6.483 1.00 1.00 H new ATOM 831 N ARG A 53 5.850 -11.137 9.564 1.00 1.00 N ATOM 832 CA ARG A 53 5.101 -11.372 10.797 1.00 1.00 C ATOM 833 C ARG A 53 3.708 -10.755 10.702 1.00 1.00 C ATOM 834 O ARG A 53 3.178 -10.236 11.684 1.00 1.00 O ATOM 835 CB ARG A 53 5.850 -10.762 11.987 1.00 1.00 C ATOM 836 CG ARG A 53 5.546 -11.560 13.261 1.00 1.00 C ATOM 837 CD ARG A 53 6.249 -10.904 14.450 1.00 1.00 C ATOM 838 NE ARG A 53 5.545 -9.691 14.846 1.00 1.00 N ATOM 839 CZ ARG A 53 5.956 -8.965 15.880 1.00 1.00 C ATOM 840 NH1 ARG A 53 7.005 -9.336 16.563 1.00 1.00 N ATOM 841 NH2 ARG A 53 5.311 -7.880 16.215 1.00 1.00 N ATOM 0 H ARG A 53 6.407 -10.283 9.564 1.00 1.00 H new ATOM 0 HA ARG A 53 5.002 -12.448 10.942 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.923 -10.765 11.793 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.553 -9.722 12.120 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.470 -11.594 13.434 1.00 1.00 H new ATOM 0 HG3 ARG A 53 5.884 -12.590 13.148 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.288 -11.600 15.288 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.279 -10.665 14.186 1.00 1.00 H new ATOM 0 HE ARG A 53 4.723 -9.394 14.320 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.509 -10.184 16.303 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.320 -8.778 17.357 1.00 1.00 H new ATOM 0 HH21 ARG A 53 4.491 -7.589 15.683 1.00 1.00 H new ATOM 0 HH22 ARG A 53 5.627 -7.323 17.009 1.00 1.00 H new ATOM 855 N GLY A 54 3.118 -10.821 9.513 1.00 1.00 N ATOM 856 CA GLY A 54 1.784 -10.270 9.295 1.00 1.00 C ATOM 857 C GLY A 54 1.826 -8.754 9.109 1.00 1.00 C ATOM 858 O GLY A 54 0.876 -8.055 9.463 1.00 1.00 O ATOM 0 H GLY A 54 3.540 -11.248 8.688 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.338 -10.733 8.415 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.145 -10.516 10.143 1.00 1.00 H new ATOM 862 N PHE A 55 2.924 -8.247 8.549 1.00 1.00 N ATOM 863 CA PHE A 55 3.061 -6.808 8.329 1.00 1.00 C ATOM 864 C PHE A 55 4.053 -6.517 7.203 1.00 1.00 C ATOM 865 O PHE A 55 5.023 -7.252 7.012 1.00 1.00 O ATOM 866 CB PHE A 55 3.537 -6.128 9.615 1.00 1.00 C ATOM 867 CG PHE A 55 2.607 -6.483 10.749 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.387 -5.811 10.891 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.965 -7.482 11.663 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.526 -6.138 11.944 1.00 1.00 C ATOM 871 CE2 PHE A 55 2.104 -7.809 12.716 1.00 1.00 C ATOM 872 CZ PHE A 55 0.884 -7.137 12.856 1.00 1.00 C ATOM 0 H PHE A 55 3.722 -8.803 8.243 1.00 1.00 H new ATOM 0 HA PHE A 55 2.086 -6.414 8.043 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.553 -6.445 9.851 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.564 -5.047 9.478 1.00 1.00 H new ATOM 0 HD1 PHE A 55 1.110 -5.040 10.187 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.906 -8.000 11.555 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.415 -5.619 12.053 1.00 1.00 H new ATOM 0 HE2 PHE A 55 2.380 -8.579 13.421 1.00 1.00 H new ATOM 0 HZ PHE A 55 0.219 -7.390 13.668 1.00 1.00 H new ATOM 882 N ALA A 56 3.805 -5.436 6.463 1.00 1.00 N ATOM 883 CA ALA A 56 4.682 -5.052 5.361 1.00 1.00 C ATOM 884 C ALA A 56 4.619 -3.545 5.127 1.00 1.00 C ATOM 885 O ALA A 56 3.561 -2.931 5.268 1.00 1.00 O ATOM 886 CB ALA A 56 4.271 -5.787 4.084 1.00 1.00 C ATOM 0 H ALA A 56 3.009 -4.815 6.607 1.00 1.00 H new ATOM 0 HA ALA A 56 5.704 -5.326 5.623 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.931 -5.494 3.267 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.346 -6.863 4.243 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.243 -5.529 3.830 1.00 1.00 H new ATOM 892 N PHE A 57 5.759 -2.954 4.774 1.00 1.00 N ATOM 893 CA PHE A 57 5.824 -1.516 4.527 1.00 1.00 C ATOM 894 C PHE A 57 5.939 -1.229 3.032 1.00 1.00 C ATOM 895 O PHE A 57 6.699 -1.886 2.320 1.00 1.00 O ATOM 896 CB PHE A 57 7.031 -0.920 5.255 1.00 1.00 C ATOM 897 CG PHE A 57 6.566 -0.199 6.498 1.00 1.00 C ATOM 898 CD1 PHE A 57 6.149 1.134 6.422 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.557 -0.866 7.729 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.720 1.801 7.576 1.00 1.00 C ATOM 901 CE2 PHE A 57 6.128 -0.200 8.884 1.00 1.00 C ATOM 902 CZ PHE A 57 5.710 1.134 8.807 1.00 1.00 C ATOM 0 H PHE A 57 6.645 -3.445 4.653 1.00 1.00 H new ATOM 0 HA PHE A 57 4.907 -1.060 4.901 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.734 -1.709 5.521 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.560 -0.230 4.598 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.158 1.649 5.473 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.881 -1.895 7.788 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.397 2.830 7.517 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.120 -0.715 9.833 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.380 1.649 9.697 1.00 1.00 H new ATOM 912 N VAL A 58 5.180 -0.243 2.562 1.00 1.00 N ATOM 913 CA VAL A 58 5.206 0.124 1.147 1.00 1.00 C ATOM 914 C VAL A 58 5.087 1.636 0.981 1.00 1.00 C ATOM 915 O VAL A 58 4.121 2.244 1.442 1.00 1.00 O ATOM 916 CB VAL A 58 4.059 -0.561 0.399 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.626 -1.416 -0.736 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.267 -1.455 1.358 1.00 1.00 C ATOM 0 H VAL A 58 4.544 0.313 3.134 1.00 1.00 H new ATOM 0 HA VAL A 58 6.158 -0.206 0.730 1.00 1.00 H new ATOM 0 HB VAL A 58 3.397 0.202 -0.010 1.00 1.00 H new ATOM 0 HG11 VAL A 58 3.809 -1.903 -1.268 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.181 -0.782 -1.427 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.293 -2.173 -0.323 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.453 -1.938 0.817 1.00 1.00 H new ATOM 0 HG22 VAL A 58 3.927 -2.216 1.775 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.856 -0.849 2.165 1.00 1.00 H new ATOM 928 N GLN A 59 6.071 2.234 0.310 1.00 1.00 N ATOM 929 CA GLN A 59 6.068 3.679 0.076 1.00 1.00 C ATOM 930 C GLN A 59 5.944 3.964 -1.418 1.00 1.00 C ATOM 931 O GLN A 59 6.347 3.148 -2.246 1.00 1.00 O ATOM 932 CB GLN A 59 7.354 4.307 0.625 1.00 1.00 C ATOM 933 CG GLN A 59 7.430 5.778 0.208 1.00 1.00 C ATOM 934 CD GLN A 59 8.527 6.485 0.995 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.644 6.642 0.500 1.00 1.00 O ATOM 936 NE2 GLN A 59 8.277 6.921 2.200 1.00 1.00 N ATOM 0 H GLN A 59 6.876 1.744 -0.079 1.00 1.00 H new ATOM 0 HA GLN A 59 5.215 4.118 0.594 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.374 4.226 1.712 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.223 3.767 0.249 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.632 5.852 -0.861 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.471 6.265 0.386 1.00 1.00 H new ATOM 0 HE21 GLN A 59 7.351 6.790 2.608 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.007 7.393 2.733 1.00 1.00 H new ATOM 945 N LEU A 60 5.381 5.123 -1.755 1.00 1.00 N ATOM 946 CA LEU A 60 5.207 5.500 -3.157 1.00 1.00 C ATOM 947 C LEU A 60 6.158 6.638 -3.520 1.00 1.00 C ATOM 948 O LEU A 60 6.745 7.272 -2.644 1.00 1.00 O ATOM 949 CB LEU A 60 3.755 5.941 -3.409 1.00 1.00 C ATOM 950 CG LEU A 60 2.862 4.743 -3.775 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.298 4.141 -5.115 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.945 3.666 -2.690 1.00 1.00 C ATOM 0 H LEU A 60 5.040 5.812 -1.084 1.00 1.00 H new ATOM 0 HA LEU A 60 5.433 4.635 -3.780 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.362 6.431 -2.518 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.730 6.675 -4.214 1.00 1.00 H new ATOM 0 HG LEU A 60 1.835 5.098 -3.856 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.656 3.295 -5.360 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.216 4.896 -5.897 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.332 3.804 -5.043 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.308 2.825 -2.963 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.976 3.325 -2.594 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.611 4.081 -1.739 1.00 1.00 H new ATOM 964 N SER A 61 6.315 6.885 -4.818 1.00 1.00 N ATOM 965 CA SER A 61 7.208 7.941 -5.287 1.00 1.00 C ATOM 966 C SER A 61 6.737 9.315 -4.817 1.00 1.00 C ATOM 967 O SER A 61 7.554 10.185 -4.509 1.00 1.00 O ATOM 968 CB SER A 61 7.280 7.922 -6.814 1.00 1.00 C ATOM 969 OG SER A 61 5.964 7.992 -7.346 1.00 1.00 O ATOM 0 H SER A 61 5.839 6.372 -5.560 1.00 1.00 H new ATOM 0 HA SER A 61 8.197 7.755 -4.868 1.00 1.00 H new ATOM 0 HB2 SER A 61 7.875 8.762 -7.172 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.775 7.013 -7.155 1.00 1.00 H new ATOM 0 HG SER A 61 6.006 7.982 -8.325 1.00 1.00 H new ATOM 975 N SER A 62 5.424 9.504 -4.774 1.00 1.00 N ATOM 976 CA SER A 62 4.849 10.778 -4.349 1.00 1.00 C ATOM 977 C SER A 62 3.911 10.578 -3.163 1.00 1.00 C ATOM 978 O SER A 62 3.751 9.463 -2.665 1.00 1.00 O ATOM 979 CB SER A 62 4.083 11.416 -5.507 1.00 1.00 C ATOM 980 OG SER A 62 4.840 11.276 -6.703 1.00 1.00 O ATOM 0 H SER A 62 4.737 8.794 -5.027 1.00 1.00 H new ATOM 0 HA SER A 62 5.662 11.437 -4.044 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.109 10.939 -5.621 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.899 12.470 -5.300 1.00 1.00 H new ATOM 0 HG SER A 62 4.351 11.682 -7.449 1.00 1.00 H new ATOM 986 N ALA A 63 3.293 11.666 -2.716 1.00 1.00 N ATOM 987 CA ALA A 63 2.374 11.602 -1.586 1.00 1.00 C ATOM 988 C ALA A 63 0.969 11.230 -2.050 1.00 1.00 C ATOM 989 O ALA A 63 0.329 10.351 -1.475 1.00 1.00 O ATOM 990 CB ALA A 63 2.337 12.952 -0.867 1.00 1.00 C ATOM 0 H ALA A 63 3.411 12.597 -3.116 1.00 1.00 H new ATOM 0 HA ALA A 63 2.729 10.833 -0.900 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.648 12.896 -0.024 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.335 13.199 -0.505 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.001 13.724 -1.559 1.00 1.00 H new ATOM 996 N MET A 64 0.496 11.906 -3.091 1.00 1.00 N ATOM 997 CA MET A 64 -0.838 11.636 -3.620 1.00 1.00 C ATOM 998 C MET A 64 -0.958 10.180 -4.060 1.00 1.00 C ATOM 999 O MET A 64 -1.990 9.542 -3.856 1.00 1.00 O ATOM 1000 CB MET A 64 -1.125 12.554 -4.808 1.00 1.00 C ATOM 1001 CG MET A 64 -0.482 13.922 -4.567 1.00 1.00 C ATOM 1002 SD MET A 64 -1.501 15.209 -5.329 1.00 1.00 S ATOM 1003 CE MET A 64 -2.484 15.614 -3.864 1.00 1.00 C ATOM 0 H MET A 64 1.009 12.638 -3.582 1.00 1.00 H new ATOM 0 HA MET A 64 -1.565 11.826 -2.830 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.733 12.113 -5.724 1.00 1.00 H new ATOM 0 HB3 MET A 64 -2.201 12.665 -4.943 1.00 1.00 H new ATOM 0 HG2 MET A 64 -0.384 14.106 -3.497 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.523 13.943 -4.987 1.00 1.00 H new ATOM 0 HE1 MET A 64 -3.195 16.403 -4.110 1.00 1.00 H new ATOM 0 HE2 MET A 64 -3.026 14.728 -3.533 1.00 1.00 H new ATOM 0 HE3 MET A 64 -1.824 15.955 -3.066 1.00 1.00 H new ATOM 1013 N ASP A 65 0.106 9.663 -4.666 1.00 1.00 N ATOM 1014 CA ASP A 65 0.111 8.281 -5.134 1.00 1.00 C ATOM 1015 C ASP A 65 -0.315 7.333 -4.017 1.00 1.00 C ATOM 1016 O ASP A 65 -0.884 6.273 -4.278 1.00 1.00 O ATOM 1017 CB ASP A 65 1.511 7.902 -5.620 1.00 1.00 C ATOM 1018 CG ASP A 65 1.606 8.090 -7.131 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.021 9.037 -7.630 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.265 7.283 -7.767 1.00 1.00 O ATOM 0 H ASP A 65 0.970 10.175 -4.844 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.598 8.194 -5.958 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.258 8.519 -5.121 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.728 6.866 -5.360 1.00 1.00 H new ATOM 1025 N ALA A 66 -0.037 7.718 -2.777 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.396 6.889 -1.632 1.00 1.00 C ATOM 1027 C ALA A 66 -1.911 6.794 -1.491 1.00 1.00 C ATOM 1028 O ALA A 66 -2.476 5.700 -1.486 1.00 1.00 O ATOM 1029 CB ALA A 66 0.201 7.475 -0.351 1.00 1.00 C ATOM 0 H ALA A 66 0.432 8.592 -2.539 1.00 1.00 H new ATOM 0 HA ALA A 66 0.006 5.889 -1.795 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -0.073 6.849 0.498 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.287 7.512 -0.439 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.185 8.483 -0.198 1.00 1.00 H new ATOM 1035 N SER A 67 -2.566 7.946 -1.382 1.00 1.00 N ATOM 1036 CA SER A 67 -4.016 7.976 -1.243 1.00 1.00 C ATOM 1037 C SER A 67 -4.681 7.362 -2.470 1.00 1.00 C ATOM 1038 O SER A 67 -5.710 6.696 -2.364 1.00 1.00 O ATOM 1039 CB SER A 67 -4.495 9.418 -1.068 1.00 1.00 C ATOM 1040 OG SER A 67 -4.151 10.170 -2.224 1.00 1.00 O ATOM 0 H SER A 67 -2.119 8.863 -1.387 1.00 1.00 H new ATOM 0 HA SER A 67 -4.291 7.394 -0.363 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.574 9.439 -0.914 1.00 1.00 H new ATOM 0 HB3 SER A 67 -4.038 9.860 -0.183 1.00 1.00 H new ATOM 0 HG SER A 67 -3.341 9.795 -2.629 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.083 7.591 -3.635 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.620 7.061 -4.877 1.00 1.00 C ATOM 1048 C GLN A 68 -4.692 5.538 -4.829 1.00 1.00 C ATOM 1049 O GLN A 68 -5.753 4.952 -5.032 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.731 7.493 -6.045 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.564 8.269 -7.067 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.741 8.526 -8.325 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.448 7.596 -9.078 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -3.354 9.741 -8.602 1.00 1.00 N ATOM 0 H GLN A 68 -3.229 8.139 -3.742 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.628 7.453 -5.014 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.913 8.114 -5.681 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.282 6.618 -6.516 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.462 7.705 -7.319 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.892 9.216 -6.637 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.598 10.509 -7.977 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.807 9.923 -9.444 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.554 4.904 -4.562 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.503 3.447 -4.494 1.00 1.00 C ATOM 1065 C LEU A 69 -4.410 2.937 -3.377 1.00 1.00 C ATOM 1066 O LEU A 69 -4.890 1.805 -3.422 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.066 2.980 -4.241 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.777 1.720 -5.063 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.330 1.281 -4.827 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.722 0.597 -4.632 1.00 1.00 C ATOM 0 H LEU A 69 -2.663 5.370 -4.391 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.849 3.045 -5.446 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.365 3.770 -4.510 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.922 2.774 -3.180 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.928 1.936 -6.121 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.122 0.384 -5.411 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.347 2.079 -5.133 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.183 1.067 -3.768 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.514 -0.298 -5.218 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.572 0.381 -3.574 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.754 0.907 -4.796 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.642 3.781 -2.380 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.496 3.403 -1.258 1.00 1.00 C ATOM 1084 C LEU A 70 -6.966 3.553 -1.636 1.00 1.00 C ATOM 1085 O LEU A 70 -7.797 2.723 -1.273 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.180 4.278 -0.038 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.874 3.399 1.184 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.404 4.277 2.343 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.134 2.640 1.617 1.00 1.00 C ATOM 0 H LEU A 70 -4.256 4.723 -2.323 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.302 2.360 -1.009 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.327 4.921 -0.254 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.025 4.931 0.178 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.094 2.686 0.916 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.187 3.651 3.209 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.503 4.815 2.050 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.186 4.992 2.598 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.905 2.020 2.484 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.917 3.353 1.877 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.477 2.007 0.799 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.282 4.611 -2.375 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.657 4.845 -2.799 1.00 1.00 C ATOM 1103 C GLN A 71 -8.977 4.028 -4.047 1.00 1.00 C ATOM 1104 O GLN A 71 -10.136 3.706 -4.310 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.868 6.332 -3.091 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.232 6.529 -3.754 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.811 7.885 -3.361 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.445 8.011 -2.314 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.631 8.912 -4.146 1.00 1.00 N ATOM 0 H GLN A 71 -6.613 5.313 -2.690 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.324 4.536 -1.994 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.814 6.907 -2.167 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.077 6.702 -3.743 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.131 6.467 -4.838 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.911 5.732 -3.451 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -10.105 8.805 -5.013 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -11.016 9.822 -3.892 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.943 3.698 -4.814 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.125 2.922 -6.036 1.00 1.00 C ATOM 1120 C ILE A 72 -8.333 1.445 -5.716 1.00 1.00 C ATOM 1121 O ILE A 72 -9.128 0.766 -6.365 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.904 3.083 -6.942 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.955 4.450 -7.630 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.903 1.982 -8.002 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.596 4.754 -8.264 1.00 1.00 C ATOM 0 H ILE A 72 -6.976 3.954 -4.613 1.00 1.00 H new ATOM 0 HA ILE A 72 -9.012 3.295 -6.548 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.997 3.010 -6.342 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.733 4.456 -8.393 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.212 5.224 -6.906 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -6.032 2.099 -8.647 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.866 1.008 -7.515 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.810 2.053 -8.602 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.632 5.727 -8.754 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.828 4.766 -7.491 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.358 3.986 -9.000 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.611 0.950 -4.715 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.726 -0.451 -4.325 1.00 1.00 C ATOM 1139 C LEU A 73 -8.952 -0.667 -3.443 1.00 1.00 C ATOM 1140 O LEU A 73 -9.584 -1.723 -3.493 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.467 -0.889 -3.571 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.435 -2.417 -3.466 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.747 -3.004 -4.700 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.654 -2.825 -2.216 1.00 1.00 C ATOM 0 H LEU A 73 -6.946 1.493 -4.164 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.836 -1.051 -5.229 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.578 -0.532 -4.090 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.455 -0.446 -2.575 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.456 -2.794 -3.403 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.726 -4.091 -4.622 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.297 -2.715 -5.595 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.727 -2.625 -4.763 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.631 -3.912 -2.140 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.635 -2.444 -2.283 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.139 -2.410 -1.332 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.283 0.335 -2.637 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.441 0.233 -1.752 1.00 1.00 C ATOM 1158 C GLN A 74 -11.718 0.611 -2.494 1.00 1.00 C ATOM 1159 O GLN A 74 -12.824 0.374 -2.006 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.269 1.143 -0.530 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.106 0.639 0.327 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.946 1.523 1.558 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -8.214 1.112 2.557 1.00 1.00 O flip ATOM 1164 NE2 GLN A 74 -9.509 2.618 1.612 1.00 1.00 N flip ATOM 0 H GLN A 74 -8.775 1.217 -2.576 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.517 -0.801 -1.417 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.080 2.167 -0.851 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.187 1.157 0.057 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.287 -0.392 0.630 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.185 0.643 -0.256 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -10.081 2.937 0.830 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -9.403 3.206 2.439 1.00 1.00 H new ATOM 1173 N SER A 75 -11.562 1.193 -3.680 1.00 1.00 N ATOM 1174 CA SER A 75 -12.713 1.588 -4.481 1.00 1.00 C ATOM 1175 C SER A 75 -13.429 0.351 -5.007 1.00 1.00 C ATOM 1176 O SER A 75 -14.637 0.371 -5.244 1.00 1.00 O ATOM 1177 CB SER A 75 -12.261 2.459 -5.654 1.00 1.00 C ATOM 1178 OG SER A 75 -13.059 2.165 -6.793 1.00 1.00 O ATOM 0 H SER A 75 -10.657 1.399 -4.103 1.00 1.00 H new ATOM 0 HA SER A 75 -13.398 2.160 -3.855 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.352 3.514 -5.395 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.210 2.274 -5.875 1.00 1.00 H new ATOM 0 HG SER A 75 -12.773 2.723 -7.546 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.671 -0.728 -5.178 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.241 -1.978 -5.667 1.00 1.00 C ATOM 1186 C LEU A 76 -14.099 -2.623 -4.582 1.00 1.00 C ATOM 1187 O LEU A 76 -13.729 -2.632 -3.409 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.126 -2.944 -6.085 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.260 -2.306 -7.180 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.874 -2.959 -7.185 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.913 -2.512 -8.552 1.00 1.00 C ATOM 0 H LEU A 76 -11.670 -0.762 -4.987 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.864 -1.759 -6.534 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.509 -3.195 -5.222 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.559 -3.876 -6.449 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.167 -1.239 -6.978 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.261 -2.505 -7.963 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.399 -2.811 -6.215 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -9.975 -4.027 -7.380 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.292 -2.056 -9.323 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.013 -3.579 -8.751 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.899 -2.048 -8.559 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.249 -3.155 -4.981 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.155 -3.792 -4.031 1.00 1.00 C ATOM 1205 C HIS A 77 -15.440 -4.879 -3.224 1.00 1.00 C ATOM 1206 O HIS A 77 -15.419 -4.821 -1.995 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.368 -4.388 -4.752 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.586 -3.567 -4.435 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.023 -2.540 -5.257 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.470 -3.607 -3.384 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.122 -2.007 -4.694 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.440 -2.620 -3.550 1.00 1.00 N ATOM 0 H HIS A 77 -15.575 -3.159 -5.948 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.499 -3.022 -3.340 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.195 -4.403 -5.828 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.520 -5.421 -4.439 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -19.421 -4.298 -2.555 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.680 -1.184 -5.115 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.224 -2.411 -2.932 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.857 -5.861 -3.873 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.139 -6.963 -3.165 1.00 1.00 C ATOM 1222 C PRO A 78 -12.784 -6.499 -2.606 1.00 1.00 C ATOM 1223 O PRO A 78 -11.887 -6.164 -3.380 1.00 1.00 O ATOM 1224 CB PRO A 78 -13.934 -8.015 -4.256 1.00 1.00 C ATOM 1225 CG PRO A 78 -13.913 -7.256 -5.538 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.814 -6.039 -5.339 1.00 1.00 C ATOM 0 HA PRO A 78 -14.698 -7.330 -2.304 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.002 -8.560 -4.106 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.738 -8.751 -4.248 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -12.898 -6.949 -5.790 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.273 -7.874 -6.360 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.409 -5.157 -5.836 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.809 -6.208 -5.750 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.602 -6.468 -1.299 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.309 -6.033 -0.691 1.00 1.00 C ATOM 1236 C PRO A 79 -10.111 -6.719 -1.343 1.00 1.00 C ATOM 1237 O PRO A 79 -10.263 -7.473 -2.304 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.434 -6.441 0.778 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.897 -6.493 1.057 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.590 -6.833 -0.263 1.00 1.00 C ATOM 0 HA PRO A 79 -11.136 -4.965 -0.825 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -10.966 -7.409 0.957 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -10.936 -5.722 1.428 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.119 -7.245 1.814 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.250 -5.537 1.444 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.849 -7.890 -0.315 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.517 -6.272 -0.382 1.00 1.00 H new ATOM 1248 N LEU A 80 -8.920 -6.460 -0.814 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.713 -7.066 -1.360 1.00 1.00 C ATOM 1250 C LEU A 80 -7.578 -8.502 -0.867 1.00 1.00 C ATOM 1251 O LEU A 80 -7.467 -8.743 0.333 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.487 -6.248 -0.939 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.221 -6.808 -1.601 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.316 -6.673 -3.124 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.004 -6.025 -1.104 1.00 1.00 C ATOM 0 H LEU A 80 -8.766 -5.842 -0.017 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.780 -7.074 -2.448 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.623 -5.204 -1.223 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.380 -6.272 0.145 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.121 -7.862 -1.341 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.412 -7.074 -3.582 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.182 -7.228 -3.485 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.422 -5.621 -3.390 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.102 -6.419 -1.572 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.117 -4.973 -1.364 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.925 -6.124 -0.021 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.595 -9.450 -1.802 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.480 -10.863 -1.457 1.00 1.00 C ATOM 1269 C LYS A 81 -6.252 -11.478 -2.113 1.00 1.00 C ATOM 1270 O LYS A 81 -6.164 -11.562 -3.339 1.00 1.00 O ATOM 1271 CB LYS A 81 -8.738 -11.616 -1.906 1.00 1.00 C ATOM 1272 CG LYS A 81 -8.859 -12.945 -1.145 1.00 1.00 C ATOM 1273 CD LYS A 81 -7.725 -13.895 -1.545 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.194 -15.339 -1.358 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.016 -16.212 -1.085 1.00 1.00 N ATOM 0 H LYS A 81 -7.687 -9.265 -2.801 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.376 -10.946 -0.375 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.621 -11.003 -1.726 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -8.694 -11.805 -2.979 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -8.826 -12.761 -0.071 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -9.822 -13.408 -1.359 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.439 -13.724 -2.583 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -6.842 -13.704 -0.935 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -8.903 -15.398 -0.533 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -8.715 -15.682 -2.252 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.856 -16.842 -1.896 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.174 -15.621 -0.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.196 -16.782 -0.234 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.313 -11.914 -1.283 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.088 -12.535 -1.769 1.00 1.00 C ATOM 1291 C ILE A 82 -4.016 -13.975 -1.275 1.00 1.00 C ATOM 1292 O ILE A 82 -4.328 -14.245 -0.116 1.00 1.00 O ATOM 1293 CB ILE A 82 -2.876 -11.749 -1.260 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -2.987 -10.294 -1.725 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.589 -12.361 -1.815 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -1.882 -9.461 -1.071 1.00 1.00 C ATOM 0 H ILE A 82 -5.377 -11.849 -0.267 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.085 -12.529 -2.859 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.852 -11.789 -0.171 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -2.902 -10.241 -2.810 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -3.965 -9.891 -1.461 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.731 -11.797 -1.449 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.508 -13.398 -1.488 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.609 -12.325 -2.904 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.962 -8.426 -1.403 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.987 -9.504 0.013 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -0.909 -9.859 -1.357 1.00 1.00 H new ATOM 1308 N ASP A 83 -3.624 -14.890 -2.166 1.00 1.00 N ATOM 1309 CA ASP A 83 -3.527 -16.309 -1.818 1.00 1.00 C ATOM 1310 C ASP A 83 -3.156 -16.486 -0.349 1.00 1.00 C ATOM 1311 O ASP A 83 -2.003 -16.298 0.040 1.00 1.00 O ATOM 1312 CB ASP A 83 -2.474 -16.992 -2.692 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.016 -17.195 -4.103 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -3.862 -18.057 -4.271 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -2.573 -16.490 -4.994 1.00 1.00 O ATOM 0 H ASP A 83 -3.370 -14.674 -3.130 1.00 1.00 H new ATOM 0 HA ASP A 83 -4.501 -16.766 -1.991 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -1.569 -16.386 -2.725 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.198 -17.953 -2.258 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.146 -16.846 0.461 1.00 1.00 N ATOM 1321 CA GLY A 84 -3.921 -17.042 1.888 1.00 1.00 C ATOM 1322 C GLY A 84 -5.131 -16.582 2.696 1.00 1.00 C ATOM 1323 O GLY A 84 -5.701 -17.352 3.470 1.00 1.00 O ATOM 0 H GLY A 84 -5.106 -17.007 0.156 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -3.723 -18.095 2.088 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.037 -16.487 2.201 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.518 -15.324 2.510 1.00 1.00 N ATOM 1328 CA LYS A 85 -6.664 -14.773 3.226 1.00 1.00 C ATOM 1329 C LYS A 85 -6.928 -13.334 2.795 1.00 1.00 C ATOM 1330 O LYS A 85 -6.251 -12.804 1.914 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.411 -14.821 4.734 1.00 1.00 C ATOM 1332 CG LYS A 85 -4.928 -14.578 5.014 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.774 -13.861 6.356 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.290 -13.693 6.680 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.135 -12.737 7.814 1.00 1.00 N ATOM 0 H LYS A 85 -5.059 -14.671 1.875 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.540 -15.375 2.987 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.015 -14.067 5.238 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -6.713 -15.790 5.133 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.390 -15.526 5.032 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.490 -13.978 4.216 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.261 -12.886 6.317 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.266 -14.432 7.143 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.852 -14.657 6.940 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -2.755 -13.325 5.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.794 -11.823 7.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.053 -12.604 8.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -2.449 -13.117 8.497 1.00 1.00 H new ATOM 1349 N THR A 86 -7.921 -12.708 3.420 1.00 1.00 N ATOM 1350 CA THR A 86 -8.275 -11.330 3.092 1.00 1.00 C ATOM 1351 C THR A 86 -7.176 -10.366 3.531 1.00 1.00 C ATOM 1352 O THR A 86 -6.559 -10.548 4.581 1.00 1.00 O ATOM 1353 CB THR A 86 -9.589 -10.954 3.779 1.00 1.00 C ATOM 1354 OG1 THR A 86 -9.981 -9.652 3.365 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.399 -10.973 5.297 1.00 1.00 C ATOM 0 H THR A 86 -8.492 -13.130 4.152 1.00 1.00 H new ATOM 0 HA THR A 86 -8.391 -11.255 2.011 1.00 1.00 H new ATOM 0 HB THR A 86 -10.361 -11.672 3.504 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.824 -9.409 3.803 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.336 -10.705 5.784 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.098 -11.972 5.614 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.627 -10.256 5.576 1.00 1.00 H new ATOM 1363 N ILE A 87 -6.942 -9.339 2.716 1.00 1.00 N ATOM 1364 CA ILE A 87 -5.917 -8.342 3.015 1.00 1.00 C ATOM 1365 C ILE A 87 -6.529 -6.943 3.080 1.00 1.00 C ATOM 1366 O ILE A 87 -7.383 -6.589 2.261 1.00 1.00 O ATOM 1367 CB ILE A 87 -4.832 -8.374 1.937 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.180 -9.761 1.902 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.776 -7.308 2.239 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.009 -9.822 2.884 1.00 1.00 C ATOM 0 H ILE A 87 -7.447 -9.176 1.845 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.478 -8.579 3.984 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.281 -8.167 0.965 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -4.917 -10.523 2.156 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.830 -9.980 0.893 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.004 -7.332 1.470 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.245 -6.324 2.251 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.326 -7.507 3.211 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.556 -10.813 2.848 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.266 -9.073 2.611 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.370 -9.624 3.893 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.087 -6.157 4.061 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.594 -4.797 4.235 1.00 1.00 C ATOM 1384 C GLY A 88 -5.505 -3.762 3.966 1.00 1.00 C ATOM 1385 O GLY A 88 -4.329 -4.103 3.837 1.00 1.00 O ATOM 0 H GLY A 88 -5.383 -6.437 4.744 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.433 -4.630 3.559 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -6.973 -4.675 5.250 1.00 1.00 H new ATOM 1389 N VAL A 89 -5.910 -2.496 3.886 1.00 1.00 N ATOM 1390 CA VAL A 89 -4.968 -1.408 3.634 1.00 1.00 C ATOM 1391 C VAL A 89 -5.174 -0.277 4.637 1.00 1.00 C ATOM 1392 O VAL A 89 -6.307 0.061 4.981 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.157 -0.867 2.217 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -3.997 0.063 1.863 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.191 -2.031 1.224 1.00 1.00 C ATOM 0 H VAL A 89 -6.880 -2.199 3.992 1.00 1.00 H new ATOM 0 HA VAL A 89 -3.957 -1.800 3.743 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.096 -0.315 2.166 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.134 0.447 0.852 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.970 0.895 2.567 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.059 -0.489 1.917 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.326 -1.644 0.214 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.253 -2.583 1.279 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.019 -2.696 1.471 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.072 0.306 5.100 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.142 1.402 6.061 1.00 1.00 C ATOM 1407 C ASP A 90 -3.179 2.519 5.668 1.00 1.00 C ATOM 1408 O ASP A 90 -2.314 2.331 4.812 1.00 1.00 O ATOM 1409 CB ASP A 90 -3.793 0.893 7.461 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.600 -0.619 7.433 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -2.531 -1.052 7.035 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -4.524 -1.321 7.809 1.00 1.00 O ATOM 0 H ASP A 90 -3.126 0.040 4.827 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.158 1.796 6.062 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -2.884 1.377 7.817 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.588 1.154 8.160 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.334 3.680 6.298 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.468 4.818 6.003 1.00 1.00 C ATOM 1419 C PHE A 91 -1.191 4.746 6.834 1.00 1.00 C ATOM 1420 O PHE A 91 -1.060 3.895 7.714 1.00 1.00 O ATOM 1421 CB PHE A 91 -3.200 6.127 6.306 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.817 6.668 5.038 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.997 7.176 4.022 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -5.208 6.667 4.879 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.568 7.678 2.847 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.779 7.170 3.704 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.959 7.676 2.688 1.00 1.00 C ATOM 0 H PHE A 91 -4.044 3.857 7.009 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.206 4.786 4.946 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.973 5.958 7.055 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.505 6.856 6.724 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.924 7.180 4.146 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.841 6.278 5.663 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.936 8.067 2.063 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.852 7.168 3.581 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.400 8.065 1.782 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.253 5.644 6.550 1.00 1.00 N ATOM 1438 CA ALA A 92 1.009 5.672 7.279 1.00 1.00 C ATOM 1439 C ALA A 92 0.760 5.869 8.772 1.00 1.00 C ATOM 1440 O ALA A 92 0.370 6.952 9.208 1.00 1.00 O ATOM 1441 CB ALA A 92 1.890 6.805 6.753 1.00 1.00 C ATOM 0 H ALA A 92 -0.342 6.357 5.826 1.00 1.00 H new ATOM 0 HA ALA A 92 1.516 4.719 7.129 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.831 6.819 7.303 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.091 6.648 5.693 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.377 7.757 6.887 1.00 1.00 H new