USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 407 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 45 ASN : amide:sc= -0.874 K(o=-0.87,f=-0.1) USER MOD Single : A 47 THR OG1 : rot 140:sc= -4.88! USER MOD Single : A 51 ASN : amide:sc= -0.967 K(o=-0.97,f=0.085) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -3.32 K(o=-3.3,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 40 4.251 2.385 5.071 1.00 0.00 N ATOM 17 CA ILE A 40 3.420 3.354 4.363 1.00 0.00 C ATOM 18 C ILE A 40 4.018 4.755 4.482 1.00 0.00 C ATOM 19 O ILE A 40 4.366 5.200 5.576 1.00 0.00 O ATOM 20 CB ILE A 40 1.993 3.361 4.948 1.00 0.00 C ATOM 21 CG1 ILE A 40 2.017 3.777 6.423 1.00 0.00 C ATOM 22 CG2 ILE A 40 1.351 1.991 4.787 1.00 0.00 C ATOM 23 CD1 ILE A 40 1.514 5.184 6.660 1.00 0.00 C ATOM 0 HA ILE A 40 3.381 3.067 3.312 1.00 0.00 H new ATOM 0 HB ILE A 40 1.396 4.090 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.408 3.080 6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.037 3.696 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.344 2.010 5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.301 1.735 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.948 1.246 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.559 5.412 7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.137 5.890 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.483 5.265 6.315 1.00 0.00 H new ATOM 35 N LEU A 41 4.084 5.467 3.361 1.00 0.00 N ATOM 36 CA LEU A 41 4.616 6.826 3.345 1.00 0.00 C ATOM 37 C LEU A 41 3.655 7.756 2.631 1.00 0.00 C ATOM 38 O LEU A 41 3.187 7.446 1.535 1.00 0.00 O ATOM 39 CB LEU A 41 5.949 6.844 2.603 1.00 0.00 C ATOM 40 CG LEU A 41 7.189 6.714 3.489 1.00 0.00 C ATOM 41 CD1 LEU A 41 7.496 5.250 3.764 1.00 0.00 C ATOM 42 CD2 LEU A 41 8.382 7.398 2.840 1.00 0.00 C ATOM 0 H LEU A 41 3.775 5.125 2.451 1.00 0.00 H new ATOM 0 HA LEU A 41 4.752 7.159 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.954 6.031 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.021 7.774 2.040 1.00 0.00 H new ATOM 0 HG LEU A 41 6.987 7.207 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.381 5.176 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.648 4.790 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.679 4.733 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.255 7.295 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.587 6.934 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.161 8.455 2.695 1.00 0.00 H new ATOM 54 N ILE A 42 3.394 8.918 3.215 1.00 0.00 N ATOM 55 CA ILE A 42 2.506 9.866 2.570 1.00 0.00 C ATOM 56 C ILE A 42 3.260 11.094 2.061 1.00 0.00 C ATOM 57 O ILE A 42 4.014 11.731 2.796 1.00 0.00 O ATOM 58 CB ILE A 42 1.400 10.329 3.547 1.00 0.00 C ATOM 59 CG1 ILE A 42 1.971 11.286 4.600 1.00 0.00 C ATOM 60 CG2 ILE A 42 0.747 9.131 4.225 1.00 0.00 C ATOM 61 CD1 ILE A 42 1.766 12.748 4.263 1.00 0.00 C ATOM 0 H ILE A 42 3.775 9.219 4.112 1.00 0.00 H new ATOM 0 HA ILE A 42 2.059 9.352 1.719 1.00 0.00 H new ATOM 0 HB ILE A 42 0.642 10.860 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.505 11.074 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.038 11.094 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.028 9.478 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.302 8.483 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.500 8.574 4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.195 13.367 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.256 12.975 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.699 12.956 4.178 1.00 0.00 H new ATOM 73 N GLU A 43 2.998 11.437 0.807 1.00 0.00 N ATOM 74 CA GLU A 43 3.602 12.598 0.171 1.00 0.00 C ATOM 75 C GLU A 43 2.503 13.350 -0.566 1.00 0.00 C ATOM 76 O GLU A 43 1.708 12.734 -1.267 1.00 0.00 O ATOM 77 CB GLU A 43 4.644 12.130 -0.845 1.00 0.00 C ATOM 78 CG GLU A 43 5.964 11.716 -0.215 1.00 0.00 C ATOM 79 CD GLU A 43 7.165 12.193 -1.009 1.00 0.00 C ATOM 80 OE1 GLU A 43 7.260 11.848 -2.206 1.00 0.00 O ATOM 81 OE2 GLU A 43 8.010 12.911 -0.434 1.00 0.00 O ATOM 0 H GLU A 43 2.361 10.918 0.203 1.00 0.00 H new ATOM 0 HA GLU A 43 4.078 13.236 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.239 11.288 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.828 12.932 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.020 12.116 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.997 10.630 -0.131 1.00 0.00 H new ATOM 88 N GLY A 44 2.481 14.669 -0.471 1.00 0.00 N ATOM 89 CA GLY A 44 1.465 15.430 -1.183 1.00 0.00 C ATOM 90 C GLY A 44 0.048 14.962 -0.865 1.00 0.00 C ATOM 91 O GLY A 44 -0.569 15.446 0.084 1.00 0.00 O ATOM 0 H GLY A 44 3.137 15.225 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.561 16.485 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.639 15.346 -2.256 1.00 0.00 H new ATOM 95 N ASN A 45 -0.476 14.023 -1.664 1.00 0.00 N ATOM 96 CA ASN A 45 -1.835 13.510 -1.453 1.00 0.00 C ATOM 97 C ASN A 45 -1.946 11.997 -1.711 1.00 0.00 C ATOM 98 O ASN A 45 -2.998 11.401 -1.478 1.00 0.00 O ATOM 99 CB ASN A 45 -2.820 14.257 -2.354 1.00 0.00 C ATOM 100 CG ASN A 45 -2.457 14.150 -3.822 1.00 0.00 C ATOM 101 OD1 ASN A 45 -3.131 13.465 -4.591 1.00 0.00 O ATOM 102 ND2 ASN A 45 -1.386 14.829 -4.218 1.00 0.00 N ATOM 0 H ASN A 45 0.015 13.607 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.079 13.679 -0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.823 13.858 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.847 15.308 -2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.093 14.795 -5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.857 15.384 -3.546 1.00 0.00 H new ATOM 109 N ARG A 46 -0.866 11.383 -2.185 1.00 0.00 N ATOM 110 CA ARG A 46 -0.841 9.949 -2.466 1.00 0.00 C ATOM 111 C ARG A 46 0.163 9.253 -1.546 1.00 0.00 C ATOM 112 O ARG A 46 1.291 9.727 -1.370 1.00 0.00 O ATOM 113 CB ARG A 46 -0.425 9.750 -3.925 1.00 0.00 C ATOM 114 CG ARG A 46 0.983 10.237 -4.232 1.00 0.00 C ATOM 115 CD ARG A 46 1.965 9.080 -4.325 1.00 0.00 C ATOM 116 NE ARG A 46 3.077 9.376 -5.224 1.00 0.00 N ATOM 117 CZ ARG A 46 4.092 10.177 -4.910 1.00 0.00 C ATOM 118 NH1 ARG A 46 4.138 10.766 -3.723 1.00 0.00 N ATOM 119 NH2 ARG A 46 5.064 10.391 -5.788 1.00 0.00 N ATOM 0 H ARG A 46 0.013 11.861 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.828 9.520 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.495 8.691 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.130 10.275 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.981 10.790 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.307 10.929 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.353 8.853 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.443 8.189 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 46 3.076 8.943 -6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.393 10.606 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.919 11.379 -3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.033 9.942 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.842 11.005 -5.548 1.00 0.00 H new ATOM 133 N THR A 47 -0.211 8.086 -1.024 1.00 0.00 N ATOM 134 CA THR A 47 0.681 7.310 -0.172 1.00 0.00 C ATOM 135 C THR A 47 0.988 5.976 -0.837 1.00 0.00 C ATOM 136 O THR A 47 0.089 5.302 -1.325 1.00 0.00 O ATOM 137 CB THR A 47 -0.010 7.067 1.169 1.00 0.00 C ATOM 138 OG1 THR A 47 -0.287 8.290 1.831 1.00 0.00 O ATOM 139 CG2 THR A 47 0.796 6.202 2.116 1.00 0.00 C ATOM 0 H THR A 47 -1.125 7.660 -1.177 1.00 0.00 H new ATOM 0 HA THR A 47 1.613 7.854 -0.016 1.00 0.00 H new ATOM 0 HB THR A 47 -0.931 6.541 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.171 8.241 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.245 6.071 3.047 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.972 5.228 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.752 6.683 2.324 1.00 0.00 H new ATOM 147 N ILE A 48 2.238 5.559 -0.773 1.00 0.00 N ATOM 148 CA ILE A 48 2.645 4.270 -1.332 1.00 0.00 C ATOM 149 C ILE A 48 3.098 3.337 -0.217 1.00 0.00 C ATOM 150 O ILE A 48 3.877 3.743 0.652 1.00 0.00 O ATOM 151 CB ILE A 48 3.817 4.478 -2.309 1.00 0.00 C ATOM 152 CG1 ILE A 48 3.455 5.533 -3.357 1.00 0.00 C ATOM 153 CG2 ILE A 48 4.191 3.163 -2.980 1.00 0.00 C ATOM 154 CD1 ILE A 48 4.642 6.019 -4.160 1.00 0.00 C ATOM 0 H ILE A 48 2.994 6.089 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 48 1.795 3.831 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 48 4.680 4.833 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.712 5.117 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.991 6.384 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.021 3.328 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.487 2.439 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.333 2.780 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.311 6.765 -4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.377 6.464 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.094 5.178 -4.687 1.00 0.00 H new ATOM 166 N ILE A 49 2.698 2.066 -0.277 1.00 0.00 N ATOM 167 CA ILE A 49 3.140 1.110 0.724 1.00 0.00 C ATOM 168 C ILE A 49 3.804 -0.095 0.080 1.00 0.00 C ATOM 169 O ILE A 49 3.255 -0.741 -0.813 1.00 0.00 O ATOM 170 CB ILE A 49 1.997 0.653 1.653 1.00 0.00 C ATOM 171 CG1 ILE A 49 2.503 -0.381 2.663 1.00 0.00 C ATOM 172 CG2 ILE A 49 0.848 0.089 0.846 1.00 0.00 C ATOM 173 CD1 ILE A 49 1.427 -0.893 3.597 1.00 0.00 C ATOM 0 H ILE A 49 2.081 1.686 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 49 3.874 1.631 1.340 1.00 0.00 H new ATOM 0 HB ILE A 49 1.636 1.522 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.934 -1.224 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.304 0.063 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.052 -0.228 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.468 0.855 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.196 -0.767 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.858 -1.621 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.012 -0.060 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.636 -1.366 3.016 1.00 0.00 H new ATOM 185 N ARG A 50 5.008 -0.366 0.560 1.00 0.00 N ATOM 186 CA ARG A 50 5.809 -1.474 0.065 1.00 0.00 C ATOM 187 C ARG A 50 5.263 -2.803 0.564 1.00 0.00 C ATOM 188 O ARG A 50 5.919 -3.509 1.330 1.00 0.00 O ATOM 189 CB ARG A 50 7.266 -1.308 0.499 1.00 0.00 C ATOM 190 CG ARG A 50 8.077 -0.410 -0.424 1.00 0.00 C ATOM 191 CD ARG A 50 9.202 -1.173 -1.110 1.00 0.00 C ATOM 192 NE ARG A 50 10.518 -0.672 -0.722 1.00 0.00 N ATOM 193 CZ ARG A 50 11.649 -1.354 -0.885 1.00 0.00 C ATOM 194 NH1 ARG A 50 11.629 -2.567 -1.425 1.00 0.00 N ATOM 195 NH2 ARG A 50 12.803 -0.824 -0.505 1.00 0.00 N ATOM 0 H ARG A 50 5.456 0.174 1.301 1.00 0.00 H new ATOM 0 HA ARG A 50 5.760 -1.470 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.291 -0.896 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.737 -2.290 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.420 0.025 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.496 0.417 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.128 -2.231 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.088 -1.093 -2.191 1.00 0.00 H new ATOM 0 HE ARG A 50 10.573 0.256 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.744 -2.981 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.499 -3.085 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.824 0.106 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.670 -1.347 -0.630 1.00 0.00 H new ATOM 209 N ASN A 51 4.062 -3.147 0.114 1.00 0.00 N ATOM 210 CA ASN A 51 3.439 -4.400 0.508 1.00 0.00 C ATOM 211 C ASN A 51 3.796 -5.509 -0.473 1.00 0.00 C ATOM 212 O ASN A 51 3.067 -6.491 -0.612 1.00 0.00 O ATOM 213 CB ASN A 51 1.920 -4.241 0.594 1.00 0.00 C ATOM 214 CG ASN A 51 1.277 -5.285 1.486 1.00 0.00 C ATOM 215 OD1 ASN A 51 1.553 -6.479 1.363 1.00 0.00 O ATOM 216 ND2 ASN A 51 0.413 -4.840 2.390 1.00 0.00 N ATOM 0 H ASN A 51 3.504 -2.577 -0.521 1.00 0.00 H new ATOM 0 HA ASN A 51 3.818 -4.673 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.683 -3.247 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.493 -4.310 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.052 -5.496 3.018 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.214 -3.842 2.457 1.00 0.00 H new ATOM 223 N PHE A 52 4.904 -5.321 -1.179 1.00 0.00 N ATOM 224 CA PHE A 52 5.346 -6.276 -2.185 1.00 0.00 C ATOM 225 C PHE A 52 5.251 -7.739 -1.765 1.00 0.00 C ATOM 226 O PHE A 52 4.837 -8.548 -2.580 1.00 0.00 O ATOM 227 CB PHE A 52 6.749 -5.987 -2.715 1.00 0.00 C ATOM 228 CG PHE A 52 7.006 -6.654 -4.052 1.00 0.00 C ATOM 229 CD1 PHE A 52 5.969 -7.275 -4.751 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.274 -6.664 -4.610 1.00 0.00 C ATOM 231 CE1 PHE A 52 6.193 -7.883 -5.967 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.503 -7.274 -5.832 1.00 0.00 C ATOM 233 CZ PHE A 52 7.462 -7.884 -6.511 1.00 0.00 C ATOM 0 H PHE A 52 5.515 -4.511 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 52 4.627 -6.128 -2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.882 -4.910 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.487 -6.332 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.974 -7.279 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.092 -6.191 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.378 -8.358 -6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.496 -7.274 -6.256 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.642 -8.359 -7.464 1.00 0.00 H new ATOM 243 N ARG A 53 5.632 -8.133 -0.561 1.00 0.00 N ATOM 244 CA ARG A 53 5.534 -9.565 -0.207 1.00 0.00 C ATOM 245 C ARG A 53 4.145 -10.138 -0.576 1.00 0.00 C ATOM 246 O ARG A 53 3.973 -10.843 -1.593 1.00 0.00 O ATOM 247 CB ARG A 53 5.800 -9.758 1.289 1.00 0.00 C ATOM 248 CG ARG A 53 7.126 -10.437 1.587 1.00 0.00 C ATOM 249 CD ARG A 53 7.116 -11.108 2.951 1.00 0.00 C ATOM 250 NE ARG A 53 7.634 -12.473 2.893 1.00 0.00 N ATOM 251 CZ ARG A 53 8.928 -12.773 2.800 1.00 0.00 C ATOM 252 NH1 ARG A 53 9.838 -11.807 2.755 1.00 0.00 N ATOM 253 NH2 ARG A 53 9.312 -14.041 2.752 1.00 0.00 N ATOM 0 H ARG A 53 5.999 -7.523 0.169 1.00 0.00 H new ATOM 0 HA ARG A 53 6.288 -10.106 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.780 -8.786 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.993 -10.350 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.337 -11.179 0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.929 -9.701 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.715 -10.522 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.098 -11.123 3.340 1.00 0.00 H new ATOM 0 HE ARG A 53 6.965 -13.242 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.547 -10.830 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.828 -12.042 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.616 -14.786 2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.303 -14.271 2.681 1.00 0.00 H new ATOM 267 N GLU A 54 3.155 -9.797 0.245 1.00 0.00 N ATOM 268 CA GLU A 54 1.779 -10.227 0.025 1.00 0.00 C ATOM 269 C GLU A 54 1.352 -9.881 -1.394 1.00 0.00 C ATOM 270 O GLU A 54 0.793 -10.708 -2.114 1.00 0.00 O ATOM 271 CB GLU A 54 0.844 -9.563 1.037 1.00 0.00 C ATOM 272 CG GLU A 54 -0.149 -10.525 1.669 1.00 0.00 C ATOM 273 CD GLU A 54 -0.233 -10.372 3.176 1.00 0.00 C ATOM 274 OE1 GLU A 54 0.827 -10.193 3.813 1.00 0.00 O ATOM 275 OE2 GLU A 54 -1.356 -10.429 3.717 1.00 0.00 O ATOM 0 H GLU A 54 3.283 -9.219 1.076 1.00 0.00 H new ATOM 0 HA GLU A 54 1.721 -11.307 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.442 -9.102 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.296 -8.761 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.135 -10.360 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.138 -11.548 1.427 1.00 0.00 H new ATOM 282 N LEU A 55 1.624 -8.640 -1.776 1.00 0.00 N ATOM 283 CA LEU A 55 1.285 -8.138 -3.098 1.00 0.00 C ATOM 284 C LEU A 55 1.734 -9.108 -4.190 1.00 0.00 C ATOM 285 O LEU A 55 0.962 -9.434 -5.079 1.00 0.00 O ATOM 286 CB LEU A 55 1.927 -6.767 -3.315 1.00 0.00 C ATOM 287 CG LEU A 55 1.328 -5.934 -4.448 1.00 0.00 C ATOM 288 CD1 LEU A 55 1.554 -6.617 -5.786 1.00 0.00 C ATOM 289 CD2 LEU A 55 -0.157 -5.689 -4.207 1.00 0.00 C ATOM 0 H LEU A 55 2.085 -7.955 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 55 0.201 -8.042 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.850 -6.198 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.989 -6.910 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 55 1.831 -4.967 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.121 -6.011 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.624 -6.733 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.079 -7.598 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.565 -5.094 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.680 -6.644 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.290 -5.153 -3.267 1.00 0.00 H new ATOM 301 N ALA A 56 2.977 -9.564 -4.119 1.00 0.00 N ATOM 302 CA ALA A 56 3.535 -10.493 -5.090 1.00 0.00 C ATOM 303 C ALA A 56 2.585 -11.649 -5.284 1.00 0.00 C ATOM 304 O ALA A 56 2.135 -11.924 -6.401 1.00 0.00 O ATOM 305 CB ALA A 56 4.896 -10.991 -4.630 1.00 0.00 C ATOM 0 H ALA A 56 3.630 -9.298 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 56 3.668 -9.978 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.298 -11.685 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.575 -10.145 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.792 -11.501 -3.672 1.00 0.00 H new ATOM 311 N LYS A 57 2.227 -12.295 -4.179 1.00 0.00 N ATOM 312 CA LYS A 57 1.260 -13.386 -4.263 1.00 0.00 C ATOM 313 C LYS A 57 0.045 -12.867 -5.035 1.00 0.00 C ATOM 314 O LYS A 57 -0.446 -13.476 -6.001 1.00 0.00 O ATOM 315 CB LYS A 57 0.847 -13.858 -2.867 1.00 0.00 C ATOM 316 CG LYS A 57 1.908 -14.694 -2.169 1.00 0.00 C ATOM 317 CD LYS A 57 1.290 -15.840 -1.387 1.00 0.00 C ATOM 318 CE LYS A 57 1.121 -17.079 -2.251 1.00 0.00 C ATOM 319 NZ LYS A 57 0.572 -18.227 -1.477 1.00 0.00 N ATOM 0 H LYS A 57 2.578 -12.092 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 57 1.702 -14.241 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.618 -12.988 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.070 -14.442 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.604 -15.090 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.485 -14.062 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.919 -16.077 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.320 -15.533 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.456 -16.852 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.084 -17.357 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.472 -19.052 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.219 -18.461 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.359 -17.971 -1.090 1.00 0.00 H new ATOM 333 N ALA A 58 -0.403 -11.697 -4.606 1.00 0.00 N ATOM 334 CA ALA A 58 -1.522 -11.021 -5.224 1.00 0.00 C ATOM 335 C ALA A 58 -1.354 -10.916 -6.738 1.00 0.00 C ATOM 336 O ALA A 58 -2.287 -11.219 -7.481 1.00 0.00 O ATOM 337 CB ALA A 58 -1.703 -9.639 -4.615 1.00 0.00 C ATOM 0 H ALA A 58 0.003 -11.193 -3.818 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.415 -11.616 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.549 -9.140 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.891 -9.734 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.799 -9.050 -4.774 1.00 0.00 H new ATOM 343 N VAL A 59 -0.190 -10.461 -7.217 1.00 0.00 N ATOM 344 CA VAL A 59 0.004 -10.307 -8.654 1.00 0.00 C ATOM 345 C VAL A 59 -0.395 -11.553 -9.391 1.00 0.00 C ATOM 346 O VAL A 59 -1.192 -11.446 -10.323 1.00 0.00 O ATOM 347 CB VAL A 59 1.405 -9.818 -9.109 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.318 -9.483 -7.939 1.00 0.00 C ATOM 349 CG2 VAL A 59 2.082 -10.818 -10.040 1.00 0.00 C ATOM 0 H VAL A 59 0.611 -10.200 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.662 -9.487 -8.920 1.00 0.00 H new ATOM 0 HB VAL A 59 1.231 -8.896 -9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.284 -9.147 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.867 -8.692 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.459 -10.370 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.060 -10.437 -10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.204 -11.770 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.467 -10.963 -10.928 1.00 0.00 H new ATOM 359 N ASN A 60 0.097 -12.707 -8.947 1.00 0.00 N ATOM 360 CA ASN A 60 -0.280 -13.965 -9.571 1.00 0.00 C ATOM 361 C ASN A 60 -1.799 -14.021 -9.692 1.00 0.00 C ATOM 362 O ASN A 60 -2.340 -14.555 -10.660 1.00 0.00 O ATOM 363 CB ASN A 60 0.230 -15.150 -8.748 1.00 0.00 C ATOM 364 CG ASN A 60 0.127 -16.463 -9.502 1.00 0.00 C ATOM 365 OD1 ASN A 60 -0.628 -17.355 -9.115 1.00 0.00 O ATOM 366 ND2 ASN A 60 0.889 -16.586 -10.583 1.00 0.00 N ATOM 0 H ASN A 60 0.749 -12.794 -8.167 1.00 0.00 H new ATOM 0 HA ASN A 60 0.170 -14.025 -10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.269 -14.975 -8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.342 -15.219 -7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.863 -17.447 -11.130 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.500 -15.820 -10.866 1.00 0.00 H new ATOM 373 N ARG A 61 -2.480 -13.442 -8.701 1.00 0.00 N ATOM 374 CA ARG A 61 -3.945 -13.404 -8.702 1.00 0.00 C ATOM 375 C ARG A 61 -4.481 -11.993 -9.007 1.00 0.00 C ATOM 376 O ARG A 61 -5.595 -11.654 -8.613 1.00 0.00 O ATOM 377 CB ARG A 61 -4.484 -13.884 -7.352 1.00 0.00 C ATOM 378 CG ARG A 61 -5.639 -14.863 -7.472 1.00 0.00 C ATOM 379 CD ARG A 61 -6.943 -14.151 -7.793 1.00 0.00 C ATOM 380 NE ARG A 61 -7.358 -13.256 -6.715 1.00 0.00 N ATOM 381 CZ ARG A 61 -8.237 -12.269 -6.868 1.00 0.00 C ATOM 382 NH1 ARG A 61 -8.797 -12.046 -8.050 1.00 0.00 N ATOM 383 NH2 ARG A 61 -8.558 -11.502 -5.834 1.00 0.00 N ATOM 0 H ARG A 61 -2.045 -12.996 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.291 -14.070 -9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.675 -14.356 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.809 -13.020 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.420 -15.592 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.746 -15.417 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.827 -13.580 -8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.725 -14.889 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.950 -13.396 -5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.554 -12.633 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.470 -11.288 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.131 -11.669 -4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.232 -10.745 -5.950 1.00 0.00 H new ATOM 397 N ASP A 62 -3.663 -11.173 -9.684 1.00 0.00 N ATOM 398 CA ASP A 62 -4.016 -9.783 -10.028 1.00 0.00 C ATOM 399 C ASP A 62 -3.585 -8.819 -8.936 1.00 0.00 C ATOM 400 O ASP A 62 -4.395 -8.350 -8.136 1.00 0.00 O ATOM 401 CB ASP A 62 -5.514 -9.637 -10.311 1.00 0.00 C ATOM 402 CG ASP A 62 -6.037 -10.715 -11.241 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.412 -10.938 -12.300 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.069 -11.334 -10.910 1.00 0.00 O ATOM 0 H ASP A 62 -2.738 -11.453 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.475 -9.530 -10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.064 -9.675 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.704 -8.658 -10.752 1.00 0.00 H new ATOM 409 N GLU A 63 -2.293 -8.502 -8.946 1.00 0.00 N ATOM 410 CA GLU A 63 -1.714 -7.556 -7.991 1.00 0.00 C ATOM 411 C GLU A 63 -2.465 -6.271 -8.126 1.00 0.00 C ATOM 412 O GLU A 63 -2.832 -5.612 -7.148 1.00 0.00 O ATOM 413 CB GLU A 63 -0.238 -7.264 -8.282 1.00 0.00 C ATOM 414 CG GLU A 63 0.055 -6.907 -9.733 1.00 0.00 C ATOM 415 CD GLU A 63 1.515 -6.570 -9.971 1.00 0.00 C ATOM 416 OE1 GLU A 63 2.328 -6.757 -9.041 1.00 0.00 O ATOM 417 OE2 GLU A 63 1.846 -6.120 -11.089 1.00 0.00 O ATOM 0 H GLU A 63 -1.621 -8.889 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.784 -7.988 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.091 -6.443 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.354 -8.137 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.230 -7.742 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.562 -6.057 -10.025 1.00 0.00 H new ATOM 424 N GLU A 64 -2.680 -5.931 -9.385 1.00 0.00 N ATOM 425 CA GLU A 64 -3.391 -4.710 -9.724 1.00 0.00 C ATOM 426 C GLU A 64 -4.692 -4.639 -8.937 1.00 0.00 C ATOM 427 O GLU A 64 -5.007 -3.638 -8.275 1.00 0.00 O ATOM 428 CB GLU A 64 -3.671 -4.643 -11.228 1.00 0.00 C ATOM 429 CG GLU A 64 -4.333 -5.893 -11.786 1.00 0.00 C ATOM 430 CD GLU A 64 -4.348 -5.919 -13.301 1.00 0.00 C ATOM 431 OE1 GLU A 64 -5.205 -5.233 -13.898 1.00 0.00 O ATOM 432 OE2 GLU A 64 -3.504 -6.626 -13.892 1.00 0.00 O ATOM 0 H GLU A 64 -2.374 -6.481 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.767 -3.856 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.310 -3.784 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.732 -4.474 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.807 -6.774 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.356 -5.954 -11.415 1.00 0.00 H new ATOM 439 N PHE A 65 -5.427 -5.738 -9.003 1.00 0.00 N ATOM 440 CA PHE A 65 -6.685 -5.867 -8.305 1.00 0.00 C ATOM 441 C PHE A 65 -6.523 -5.552 -6.826 1.00 0.00 C ATOM 442 O PHE A 65 -7.327 -4.809 -6.260 1.00 0.00 O ATOM 443 CB PHE A 65 -7.250 -7.278 -8.480 1.00 0.00 C ATOM 444 CG PHE A 65 -8.351 -7.360 -9.499 1.00 0.00 C ATOM 445 CD1 PHE A 65 -8.065 -7.288 -10.853 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.670 -7.512 -9.104 1.00 0.00 C ATOM 447 CE1 PHE A 65 -9.075 -7.363 -11.794 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.683 -7.590 -10.039 1.00 0.00 C ATOM 449 CZ PHE A 65 -10.385 -7.514 -11.386 1.00 0.00 C ATOM 0 H PHE A 65 -5.164 -6.562 -9.543 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.383 -5.149 -8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.443 -7.950 -8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.627 -7.632 -7.520 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.041 -7.172 -11.177 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.909 -7.570 -8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.840 -7.304 -12.846 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.707 -7.710 -9.718 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.176 -7.573 -12.119 1.00 0.00 H new ATOM 459 N PHE A 66 -5.517 -6.141 -6.174 1.00 0.00 N ATOM 460 CA PHE A 66 -5.365 -5.900 -4.753 1.00 0.00 C ATOM 461 C PHE A 66 -5.232 -4.413 -4.390 1.00 0.00 C ATOM 462 O PHE A 66 -6.072 -3.899 -3.651 1.00 0.00 O ATOM 463 CB PHE A 66 -4.225 -6.624 -4.055 1.00 0.00 C ATOM 464 CG PHE A 66 -4.173 -5.986 -2.718 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.255 -6.120 -1.868 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.170 -5.098 -2.402 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.343 -5.371 -0.727 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.234 -4.374 -1.236 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.332 -4.502 -0.409 1.00 0.00 C ATOM 0 H PHE A 66 -4.826 -6.762 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.303 -6.317 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.416 -7.695 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.285 -6.504 -4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.039 -6.823 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.332 -4.970 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.203 -5.464 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.428 -3.707 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.395 -3.914 0.494 1.00 0.00 H new ATOM 479 N ALA A 67 -4.170 -3.707 -4.830 1.00 0.00 N ATOM 480 CA ALA A 67 -4.032 -2.314 -4.433 1.00 0.00 C ATOM 481 C ALA A 67 -5.396 -1.653 -4.487 1.00 0.00 C ATOM 482 O ALA A 67 -5.803 -0.990 -3.532 1.00 0.00 O ATOM 483 CB ALA A 67 -3.030 -1.578 -5.305 1.00 0.00 C ATOM 0 H ALA A 67 -3.432 -4.069 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.646 -2.271 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.955 -0.541 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.054 -2.057 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.361 -1.607 -6.343 1.00 0.00 H new ATOM 489 N LYS A 68 -6.132 -1.881 -5.578 1.00 0.00 N ATOM 490 CA LYS A 68 -7.484 -1.338 -5.673 1.00 0.00 C ATOM 491 C LYS A 68 -8.199 -1.568 -4.335 1.00 0.00 C ATOM 492 O LYS A 68 -8.781 -0.645 -3.767 1.00 0.00 O ATOM 493 CB LYS A 68 -8.264 -1.993 -6.815 1.00 0.00 C ATOM 494 CG LYS A 68 -7.557 -1.913 -8.160 1.00 0.00 C ATOM 495 CD LYS A 68 -8.342 -1.075 -9.156 1.00 0.00 C ATOM 496 CE LYS A 68 -8.521 0.354 -8.667 1.00 0.00 C ATOM 497 NZ LYS A 68 -9.739 0.990 -9.240 1.00 0.00 N ATOM 0 H LYS A 68 -5.824 -2.423 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.428 -0.271 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.441 -3.040 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.240 -1.515 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.564 -1.483 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.418 -2.918 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.825 -1.070 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.319 -1.528 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.587 0.360 -7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.644 0.942 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.824 1.963 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.666 1.008 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.579 0.444 -8.962 1.00 0.00 H new ATOM 511 N TYR A 69 -8.120 -2.804 -3.823 1.00 0.00 N ATOM 512 CA TYR A 69 -8.716 -3.188 -2.534 1.00 0.00 C ATOM 513 C TYR A 69 -8.438 -2.141 -1.482 1.00 0.00 C ATOM 514 O TYR A 69 -9.362 -1.626 -0.853 1.00 0.00 O ATOM 515 CB TYR A 69 -8.172 -4.539 -2.050 1.00 0.00 C ATOM 516 CG TYR A 69 -9.003 -5.723 -2.494 1.00 0.00 C ATOM 517 CD1 TYR A 69 -8.896 -6.227 -3.784 1.00 0.00 C ATOM 518 CD2 TYR A 69 -9.895 -6.336 -1.622 1.00 0.00 C ATOM 519 CE1 TYR A 69 -9.654 -7.308 -4.194 1.00 0.00 C ATOM 520 CE2 TYR A 69 -10.657 -7.417 -2.024 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.532 -7.898 -3.310 1.00 0.00 C ATOM 522 OH TYR A 69 -11.289 -8.973 -3.714 1.00 0.00 O ATOM 0 H TYR A 69 -7.638 -3.570 -4.293 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.792 -3.272 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.153 -4.663 -2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.120 -4.531 -0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.209 -5.767 -4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.994 -5.962 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.559 -7.688 -5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.346 -7.882 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.855 -9.272 -2.972 1.00 0.00 H new ATOM 532 N LEU A 70 -7.163 -1.810 -1.304 1.00 0.00 N ATOM 533 CA LEU A 70 -6.791 -0.786 -0.334 1.00 0.00 C ATOM 534 C LEU A 70 -7.738 0.393 -0.492 1.00 0.00 C ATOM 535 O LEU A 70 -8.321 0.885 0.473 1.00 0.00 O ATOM 536 CB LEU A 70 -5.341 -0.342 -0.517 1.00 0.00 C ATOM 537 CG LEU A 70 -4.609 -0.017 0.787 1.00 0.00 C ATOM 538 CD1 LEU A 70 -5.325 1.096 1.534 1.00 0.00 C ATOM 539 CD2 LEU A 70 -4.500 -1.258 1.660 1.00 0.00 C ATOM 0 H LEU A 70 -6.382 -2.228 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.872 -1.198 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.796 -1.129 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.322 0.539 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.602 0.322 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.792 1.315 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.355 1.991 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.342 0.782 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.977 -1.009 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.499 -1.625 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.946 -2.031 1.127 1.00 0.00 H new ATOM 551 N LEU A 71 -7.915 0.799 -1.745 1.00 0.00 N ATOM 552 CA LEU A 71 -8.826 1.875 -2.090 1.00 0.00 C ATOM 553 C LEU A 71 -10.227 1.487 -1.641 1.00 0.00 C ATOM 554 O LEU A 71 -10.913 2.260 -0.973 1.00 0.00 O ATOM 555 CB LEU A 71 -8.780 2.160 -3.600 1.00 0.00 C ATOM 556 CG LEU A 71 -10.116 2.060 -4.349 1.00 0.00 C ATOM 557 CD1 LEU A 71 -11.040 3.200 -3.950 1.00 0.00 C ATOM 558 CD2 LEU A 71 -9.883 2.063 -5.852 1.00 0.00 C ATOM 0 H LEU A 71 -7.431 0.391 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.528 2.792 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.379 3.163 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.077 1.465 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.595 1.120 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.982 3.112 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.232 3.154 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.569 4.152 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.840 1.992 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.383 2.987 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.259 1.212 -6.125 1.00 0.00 H new ATOM 570 N LYS A 72 -10.633 0.263 -1.992 1.00 0.00 N ATOM 571 CA LYS A 72 -11.937 -0.248 -1.599 1.00 0.00 C ATOM 572 C LYS A 72 -12.173 0.049 -0.127 1.00 0.00 C ATOM 573 O LYS A 72 -13.226 0.554 0.262 1.00 0.00 O ATOM 574 CB LYS A 72 -12.024 -1.754 -1.856 1.00 0.00 C ATOM 575 CG LYS A 72 -13.395 -2.213 -2.331 1.00 0.00 C ATOM 576 CD LYS A 72 -13.386 -2.572 -3.809 1.00 0.00 C ATOM 577 CE LYS A 72 -13.722 -4.039 -4.030 1.00 0.00 C ATOM 578 NZ LYS A 72 -12.509 -4.902 -3.978 1.00 0.00 N ATOM 0 H LYS A 72 -10.075 -0.386 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.706 0.244 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.279 -2.030 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.770 -2.286 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.712 -3.078 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.125 -1.424 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.106 -1.949 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.405 -2.355 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.433 -4.367 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.210 -4.158 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.782 -5.894 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.841 -4.607 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.057 -4.809 -3.046 1.00 0.00 H new ATOM 592 N GLU A 73 -11.168 -0.266 0.685 1.00 0.00 N ATOM 593 CA GLU A 73 -11.244 -0.031 2.122 1.00 0.00 C ATOM 594 C GLU A 73 -11.476 1.451 2.416 1.00 0.00 C ATOM 595 O GLU A 73 -12.531 1.834 2.922 1.00 0.00 O ATOM 596 CB GLU A 73 -9.961 -0.507 2.807 1.00 0.00 C ATOM 597 CG GLU A 73 -10.101 -1.861 3.483 1.00 0.00 C ATOM 598 CD GLU A 73 -9.971 -3.015 2.510 1.00 0.00 C ATOM 599 OE1 GLU A 73 -9.302 -2.842 1.469 1.00 0.00 O ATOM 600 OE2 GLU A 73 -10.537 -4.094 2.788 1.00 0.00 O ATOM 0 H GLU A 73 -10.292 -0.684 0.372 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.087 -0.598 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.162 -0.560 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.660 0.232 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.340 -1.956 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.070 -1.917 3.979 1.00 0.00 H new ATOM 607 N THR A 74 -10.485 2.279 2.097 1.00 0.00 N ATOM 608 CA THR A 74 -10.587 3.718 2.331 1.00 0.00 C ATOM 609 C THR A 74 -11.788 4.310 1.594 1.00 0.00 C ATOM 610 O THR A 74 -12.774 4.702 2.220 1.00 0.00 O ATOM 611 CB THR A 74 -9.295 4.438 1.913 1.00 0.00 C ATOM 612 OG1 THR A 74 -9.542 5.810 1.669 1.00 0.00 O ATOM 613 CG2 THR A 74 -8.644 3.864 0.671 1.00 0.00 C ATOM 0 H THR A 74 -9.605 1.980 1.677 1.00 0.00 H new ATOM 0 HA THR A 74 -10.733 3.869 3.401 1.00 0.00 H new ATOM 0 HB THR A 74 -8.613 4.296 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.707 6.251 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.739 4.426 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.388 2.819 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.336 3.933 -0.168 1.00 0.00 H new ATOM 621 N GLY A 75 -11.712 4.368 0.266 1.00 0.00 N ATOM 622 CA GLY A 75 -12.813 4.907 -0.512 1.00 0.00 C ATOM 623 C GLY A 75 -12.366 5.883 -1.587 1.00 0.00 C ATOM 624 O GLY A 75 -13.079 6.099 -2.567 1.00 0.00 O ATOM 0 H GLY A 75 -10.911 4.053 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.355 4.085 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.511 5.409 0.158 1.00 0.00 H new ATOM 628 N SER A 76 -11.191 6.481 -1.407 1.00 0.00 N ATOM 629 CA SER A 76 -10.675 7.443 -2.377 1.00 0.00 C ATOM 630 C SER A 76 -10.285 6.749 -3.687 1.00 0.00 C ATOM 631 O SER A 76 -11.146 6.501 -4.532 1.00 0.00 O ATOM 632 CB SER A 76 -9.491 8.210 -1.787 1.00 0.00 C ATOM 633 OG SER A 76 -9.918 9.418 -1.180 1.00 0.00 O ATOM 0 H SER A 76 -10.582 6.318 -0.605 1.00 0.00 H new ATOM 0 HA SER A 76 -11.466 8.157 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.982 7.589 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.768 8.430 -2.573 1.00 0.00 H new ATOM 0 HG SER A 76 -9.143 9.889 -0.809 1.00 0.00 H new ATOM 639 N ALA A 77 -8.999 6.431 -3.869 1.00 0.00 N ATOM 640 CA ALA A 77 -8.562 5.761 -5.101 1.00 0.00 C ATOM 641 C ALA A 77 -7.246 5.030 -4.888 1.00 0.00 C ATOM 642 O ALA A 77 -6.366 5.537 -4.203 1.00 0.00 O ATOM 643 CB ALA A 77 -8.430 6.771 -6.230 1.00 0.00 C ATOM 0 H ALA A 77 -8.256 6.621 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.317 5.024 -5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.105 6.262 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.394 7.248 -6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.695 7.528 -5.957 1.00 0.00 H new ATOM 649 N GLY A 78 -7.105 3.833 -5.458 1.00 0.00 N ATOM 650 CA GLY A 78 -5.872 3.079 -5.271 1.00 0.00 C ATOM 651 C GLY A 78 -5.249 2.591 -6.569 1.00 0.00 C ATOM 652 O GLY A 78 -5.951 2.242 -7.518 1.00 0.00 O ATOM 0 H GLY A 78 -7.810 3.377 -6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.151 3.705 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.076 2.220 -4.631 1.00 0.00 H new ATOM 656 N ASN A 79 -3.917 2.585 -6.602 1.00 0.00 N ATOM 657 CA ASN A 79 -3.158 2.158 -7.777 1.00 0.00 C ATOM 658 C ASN A 79 -2.070 1.151 -7.388 1.00 0.00 C ATOM 659 O ASN A 79 -1.340 1.357 -6.417 1.00 0.00 O ATOM 660 CB ASN A 79 -2.505 3.392 -8.400 1.00 0.00 C ATOM 661 CG ASN A 79 -3.499 4.252 -9.156 1.00 0.00 C ATOM 662 OD1 ASN A 79 -3.808 5.371 -8.744 1.00 0.00 O ATOM 663 ND2 ASN A 79 -4.006 3.733 -10.268 1.00 0.00 N ATOM 0 H ASN A 79 -3.334 2.875 -5.817 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.832 1.676 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.037 3.987 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.712 3.077 -9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.680 4.265 -10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.721 2.802 -10.572 1.00 0.00 H new ATOM 670 N LEU A 80 -1.893 0.112 -8.203 1.00 0.00 N ATOM 671 CA LEU A 80 -0.836 -0.874 -7.961 1.00 0.00 C ATOM 672 C LEU A 80 0.258 -0.723 -9.012 1.00 0.00 C ATOM 673 O LEU A 80 -0.038 -0.621 -10.203 1.00 0.00 O ATOM 674 CB LEU A 80 -1.442 -2.278 -8.078 1.00 0.00 C ATOM 675 CG LEU A 80 -0.547 -3.439 -7.624 1.00 0.00 C ATOM 676 CD1 LEU A 80 0.697 -3.548 -8.491 1.00 0.00 C ATOM 677 CD2 LEU A 80 -0.168 -3.284 -6.164 1.00 0.00 C ATOM 0 H LEU A 80 -2.461 -0.070 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.411 -0.721 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.362 -2.305 -7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.721 -2.446 -9.118 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.116 -4.362 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.310 -4.380 -8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.405 -3.720 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.269 -2.623 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.466 -4.117 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.373 -2.348 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.070 -3.275 -5.553 1.00 0.00 H new ATOM 689 N GLU A 81 1.524 -0.770 -8.591 1.00 0.00 N ATOM 690 CA GLU A 81 2.619 -0.665 -9.553 1.00 0.00 C ATOM 691 C GLU A 81 3.628 -1.772 -9.307 1.00 0.00 C ATOM 692 O GLU A 81 4.022 -1.985 -8.170 1.00 0.00 O ATOM 693 CB GLU A 81 3.314 0.685 -9.378 1.00 0.00 C ATOM 694 CG GLU A 81 3.964 1.206 -10.649 1.00 0.00 C ATOM 695 CD GLU A 81 4.196 2.704 -10.614 1.00 0.00 C ATOM 696 OE1 GLU A 81 3.358 3.422 -10.027 1.00 0.00 O ATOM 697 OE2 GLU A 81 5.216 3.160 -11.172 1.00 0.00 O ATOM 0 H GLU A 81 1.810 -0.877 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 81 2.219 -0.754 -10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.586 1.416 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.074 0.595 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.917 0.698 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.333 0.960 -11.503 1.00 0.00 H new ATOM 704 N GLY A 82 4.112 -2.415 -10.356 1.00 0.00 N ATOM 705 CA GLY A 82 5.128 -3.450 -10.188 1.00 0.00 C ATOM 706 C GLY A 82 4.790 -4.525 -9.151 1.00 0.00 C ATOM 707 O GLY A 82 4.518 -5.670 -9.515 1.00 0.00 O ATOM 0 H GLY A 82 3.826 -2.246 -11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.295 -3.934 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.067 -2.974 -9.904 1.00 0.00 H new ATOM 711 N GLY A 83 4.838 -4.175 -7.857 1.00 0.00 N ATOM 712 CA GLY A 83 4.561 -5.160 -6.804 1.00 0.00 C ATOM 713 C GLY A 83 4.305 -4.554 -5.432 1.00 0.00 C ATOM 714 O GLY A 83 4.193 -5.249 -4.432 1.00 0.00 O ATOM 0 H GLY A 83 5.061 -3.238 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.693 -5.751 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.405 -5.846 -6.734 1.00 0.00 H new ATOM 718 N ARG A 84 4.164 -3.266 -5.435 1.00 0.00 N ATOM 719 CA ARG A 84 3.867 -2.455 -4.295 1.00 0.00 C ATOM 720 C ARG A 84 2.417 -2.055 -4.437 1.00 0.00 C ATOM 721 O ARG A 84 1.942 -1.727 -5.528 1.00 0.00 O ATOM 722 CB ARG A 84 4.785 -1.232 -4.344 1.00 0.00 C ATOM 723 CG ARG A 84 6.257 -1.579 -4.498 1.00 0.00 C ATOM 724 CD ARG A 84 6.991 -0.536 -5.325 1.00 0.00 C ATOM 725 NE ARG A 84 7.119 0.735 -4.616 1.00 0.00 N ATOM 726 CZ ARG A 84 7.371 1.896 -5.216 1.00 0.00 C ATOM 727 NH1 ARG A 84 7.526 1.952 -6.533 1.00 0.00 N ATOM 728 NH2 ARG A 84 7.470 3.006 -4.496 1.00 0.00 N ATOM 0 H ARG A 84 4.259 -2.717 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 84 4.023 -2.966 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.482 -0.594 -5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.651 -0.651 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.719 -1.655 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.354 -2.556 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.982 -0.909 -5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.458 -0.376 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 84 7.009 0.732 -3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.452 1.102 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.719 2.845 -6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.353 2.969 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.663 3.896 -4.955 1.00 0.00 H new ATOM 742 N LEU A 85 1.771 -1.937 -3.309 1.00 0.00 N ATOM 743 CA LEU A 85 0.377 -1.497 -3.276 1.00 0.00 C ATOM 744 C LEU A 85 0.353 -0.049 -2.806 1.00 0.00 C ATOM 745 O LEU A 85 1.023 0.312 -1.840 1.00 0.00 O ATOM 746 CB LEU A 85 -0.387 -2.405 -2.291 1.00 0.00 C ATOM 747 CG LEU A 85 -0.892 -1.738 -1.002 1.00 0.00 C ATOM 748 CD1 LEU A 85 -2.343 -1.315 -1.148 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.715 -2.669 0.192 1.00 0.00 C ATOM 0 H LEU A 85 2.175 -2.136 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.092 -1.562 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.243 -2.832 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.264 -3.234 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.295 -0.843 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.680 -0.845 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.434 -0.605 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.958 -2.191 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.079 -2.177 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.280 -3.586 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.341 -2.911 0.311 1.00 0.00 H new ATOM 761 N ILE A 86 -0.447 0.768 -3.472 1.00 0.00 N ATOM 762 CA ILE A 86 -0.558 2.169 -3.111 1.00 0.00 C ATOM 763 C ILE A 86 -1.997 2.531 -2.806 1.00 0.00 C ATOM 764 O ILE A 86 -2.914 2.208 -3.570 1.00 0.00 O ATOM 765 CB ILE A 86 -0.064 3.049 -4.279 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.332 2.610 -4.727 1.00 0.00 C ATOM 767 CG2 ILE A 86 -0.056 4.517 -3.880 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.536 2.683 -6.224 1.00 0.00 C ATOM 0 H ILE A 86 -1.026 0.485 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 86 0.052 2.342 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.752 2.925 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.076 3.237 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.507 1.587 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.295 5.120 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.066 4.826 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.608 4.659 -3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.547 2.358 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.815 2.034 -6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.393 3.710 -6.561 1.00 0.00 H new ATOM 780 N LEU A 87 -2.176 3.306 -1.751 1.00 0.00 N ATOM 781 CA LEU A 87 -3.481 3.798 -1.380 1.00 0.00 C ATOM 782 C LEU A 87 -3.431 5.310 -1.334 1.00 0.00 C ATOM 783 O LEU A 87 -2.521 5.904 -0.753 1.00 0.00 O ATOM 784 CB LEU A 87 -3.882 3.217 -0.011 1.00 0.00 C ATOM 785 CG LEU A 87 -3.168 3.783 1.229 1.00 0.00 C ATOM 786 CD1 LEU A 87 -1.657 3.776 1.053 1.00 0.00 C ATOM 787 CD2 LEU A 87 -3.672 5.182 1.560 1.00 0.00 C ATOM 0 H LEU A 87 -1.422 3.608 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.228 3.488 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.954 3.366 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.711 2.141 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.405 3.131 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.185 4.182 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.314 2.754 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.388 4.387 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.151 5.558 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.484 5.846 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.743 5.145 1.761 1.00 0.00 H new ATOM 799 N GLN A 88 -4.449 5.930 -1.882 1.00 0.00 N ATOM 800 CA GLN A 88 -4.552 7.373 -1.874 1.00 0.00 C ATOM 801 C GLN A 88 -5.805 7.802 -1.143 1.00 0.00 C ATOM 802 O GLN A 88 -6.919 7.672 -1.661 1.00 0.00 O ATOM 803 CB GLN A 88 -4.548 7.937 -3.296 1.00 0.00 C ATOM 804 CG GLN A 88 -3.238 7.716 -4.034 1.00 0.00 C ATOM 805 CD GLN A 88 -2.999 8.747 -5.120 1.00 0.00 C ATOM 806 OE1 GLN A 88 -3.299 9.928 -4.947 1.00 0.00 O ATOM 807 NE2 GLN A 88 -2.456 8.304 -6.248 1.00 0.00 N ATOM 0 H GLN A 88 -5.225 5.454 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.682 7.771 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.357 7.476 -3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.756 9.006 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.414 7.747 -3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.239 6.720 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.223 7.316 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.272 8.952 -7.014 1.00 0.00 H new