USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 439 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 79 ASN : amide:sc= -0.543 K(o=-3,f=-5!) USER MOD Set 1.2: A 88 GLN : amide:sc= -2.44 K(o=-3,f=-8.9!) USER MOD Single : A 45 ASN : amide:sc= -2.3 K(o=-2.3,f=-3.4!) USER MOD Single : A 47 THR OG1 : rot 90:sc= -3.66 USER MOD Single : A 51 ASN : amide:sc= -0.819 X(o=-0.82,f=-0.54) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.0071 X(o=0.0071,f=-0.27) 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 -145:sc= -2.09! USER MOD Single : A 76 SER OG : rot 150:sc= 0.0381 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 39 6.900 1.090 6.389 1.00 0.00 N ATOM 2 CA GLU A 39 6.238 0.367 5.309 1.00 0.00 C ATOM 3 C GLU A 39 5.418 1.315 4.441 1.00 0.00 C ATOM 4 O GLU A 39 5.490 1.269 3.214 1.00 0.00 O ATOM 5 CB GLU A 39 5.335 -0.727 5.880 1.00 0.00 C ATOM 6 CG GLU A 39 5.103 -1.887 4.925 1.00 0.00 C ATOM 7 CD GLU A 39 4.691 -3.158 5.641 1.00 0.00 C ATOM 8 OE1 GLU A 39 4.230 -3.066 6.798 1.00 0.00 O ATOM 9 OE2 GLU A 39 4.828 -4.247 5.044 1.00 0.00 O ATOM 0 HA GLU A 39 7.007 -0.092 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.778 -1.108 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.373 -0.289 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.331 -1.612 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.015 -2.073 4.357 1.00 0.00 H new ATOM 16 N ILE A 40 4.638 2.174 5.089 1.00 0.00 N ATOM 17 CA ILE A 40 3.799 3.133 4.380 1.00 0.00 C ATOM 18 C ILE A 40 4.320 4.556 4.590 1.00 0.00 C ATOM 19 O ILE A 40 4.587 4.965 5.720 1.00 0.00 O ATOM 20 CB ILE A 40 2.348 3.052 4.897 1.00 0.00 C ATOM 21 CG1 ILE A 40 1.902 1.592 5.032 1.00 0.00 C ATOM 22 CG2 ILE A 40 1.414 3.812 3.970 1.00 0.00 C ATOM 23 CD1 ILE A 40 1.449 1.225 6.429 1.00 0.00 C ATOM 0 H ILE A 40 4.570 2.225 6.105 1.00 0.00 H new ATOM 0 HA ILE A 40 3.826 2.889 3.318 1.00 0.00 H new ATOM 0 HB ILE A 40 2.308 3.513 5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.087 1.403 4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.727 0.940 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.394 3.746 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.717 4.858 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.460 3.378 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.148 0.178 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.269 1.381 7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.604 1.851 6.714 1.00 0.00 H new ATOM 35 N LEU A 41 4.424 5.319 3.504 1.00 0.00 N ATOM 36 CA LEU A 41 4.903 6.698 3.580 1.00 0.00 C ATOM 37 C LEU A 41 3.981 7.609 2.787 1.00 0.00 C ATOM 38 O LEU A 41 3.650 7.306 1.642 1.00 0.00 O ATOM 39 CB LEU A 41 6.307 6.785 2.979 1.00 0.00 C ATOM 40 CG LEU A 41 7.444 6.868 3.999 1.00 0.00 C ATOM 41 CD1 LEU A 41 8.775 6.540 3.341 1.00 0.00 C ATOM 42 CD2 LEU A 41 7.488 8.248 4.635 1.00 0.00 C ATOM 0 H LEU A 41 4.184 5.007 2.563 1.00 0.00 H new ATOM 0 HA LEU A 41 4.921 7.008 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.470 5.912 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.355 7.661 2.332 1.00 0.00 H new ATOM 0 HG LEU A 41 7.259 6.134 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.572 6.604 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.740 5.530 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.968 7.250 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.303 8.290 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.650 9.000 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.543 8.446 5.141 1.00 0.00 H new ATOM 54 N ILE A 42 3.597 8.744 3.360 1.00 0.00 N ATOM 55 CA ILE A 42 2.734 9.666 2.637 1.00 0.00 C ATOM 56 C ILE A 42 3.394 11.024 2.429 1.00 0.00 C ATOM 57 O ILE A 42 3.898 11.644 3.365 1.00 0.00 O ATOM 58 CB ILE A 42 1.408 9.870 3.399 1.00 0.00 C ATOM 59 CG1 ILE A 42 0.458 10.756 2.589 1.00 0.00 C ATOM 60 CG2 ILE A 42 1.668 10.478 4.771 1.00 0.00 C ATOM 61 CD1 ILE A 42 -0.972 10.722 3.085 1.00 0.00 C ATOM 0 H ILE A 42 3.862 9.042 4.299 1.00 0.00 H new ATOM 0 HA ILE A 42 2.544 9.221 1.661 1.00 0.00 H new ATOM 0 HB ILE A 42 0.937 8.897 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.820 11.784 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.480 10.440 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.721 10.615 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.309 9.812 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.160 11.443 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.588 11.373 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.352 9.702 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.007 11.067 4.118 1.00 0.00 H new ATOM 73 N GLU A 43 3.332 11.493 1.188 1.00 0.00 N ATOM 74 CA GLU A 43 3.878 12.790 0.811 1.00 0.00 C ATOM 75 C GLU A 43 2.835 13.518 -0.028 1.00 0.00 C ATOM 76 O GLU A 43 2.251 12.927 -0.938 1.00 0.00 O ATOM 77 CB GLU A 43 5.136 12.575 -0.033 1.00 0.00 C ATOM 78 CG GLU A 43 6.425 12.613 0.773 1.00 0.00 C ATOM 79 CD GLU A 43 7.360 11.469 0.432 1.00 0.00 C ATOM 80 OE1 GLU A 43 6.869 10.336 0.246 1.00 0.00 O ATOM 81 OE2 GLU A 43 8.583 11.708 0.350 1.00 0.00 O ATOM 0 H GLU A 43 2.902 10.984 0.416 1.00 0.00 H new ATOM 0 HA GLU A 43 4.127 13.372 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.063 11.613 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.179 13.341 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.934 13.560 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.186 12.577 1.836 1.00 0.00 H new ATOM 88 N GLY A 44 2.641 14.804 0.216 1.00 0.00 N ATOM 89 CA GLY A 44 1.682 15.556 -0.576 1.00 0.00 C ATOM 90 C GLY A 44 0.267 15.002 -0.469 1.00 0.00 C ATOM 91 O GLY A 44 -0.482 15.381 0.431 1.00 0.00 O ATOM 0 H GLY A 44 3.122 15.339 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.686 16.597 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.993 15.547 -1.621 1.00 0.00 H new ATOM 95 N ASN A 45 -0.109 14.113 -1.396 1.00 0.00 N ATOM 96 CA ASN A 45 -1.456 13.530 -1.389 1.00 0.00 C ATOM 97 C ASN A 45 -1.467 12.052 -1.808 1.00 0.00 C ATOM 98 O ASN A 45 -2.532 11.446 -1.924 1.00 0.00 O ATOM 99 CB ASN A 45 -2.373 14.331 -2.317 1.00 0.00 C ATOM 100 CG ASN A 45 -2.282 15.824 -2.074 1.00 0.00 C ATOM 101 OD1 ASN A 45 -3.137 16.410 -1.412 1.00 0.00 O ATOM 102 ND2 ASN A 45 -1.240 16.448 -2.611 1.00 0.00 N ATOM 0 H ASN A 45 0.492 13.785 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.818 13.578 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.112 14.118 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.403 14.005 -2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.125 17.453 -2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.554 15.922 -3.153 1.00 0.00 H new ATOM 109 N ARG A 46 -0.290 11.477 -2.029 1.00 0.00 N ATOM 110 CA ARG A 46 -0.174 10.076 -2.429 1.00 0.00 C ATOM 111 C ARG A 46 0.744 9.331 -1.462 1.00 0.00 C ATOM 112 O ARG A 46 1.825 9.821 -1.119 1.00 0.00 O ATOM 113 CB ARG A 46 0.416 10.021 -3.839 1.00 0.00 C ATOM 114 CG ARG A 46 1.750 10.740 -3.969 1.00 0.00 C ATOM 115 CD ARG A 46 1.620 12.019 -4.781 1.00 0.00 C ATOM 116 NE ARG A 46 2.923 12.540 -5.190 1.00 0.00 N ATOM 117 CZ ARG A 46 3.132 13.800 -5.562 1.00 0.00 C ATOM 118 NH1 ARG A 46 2.131 14.671 -5.580 1.00 0.00 N ATOM 119 NH2 ARG A 46 4.348 14.192 -5.918 1.00 0.00 N ATOM 0 H ARG A 46 0.603 11.961 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.157 9.605 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.545 8.978 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.294 10.461 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.135 10.976 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.475 10.079 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.012 11.827 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.097 12.772 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 46 3.718 11.901 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.193 14.376 -5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.299 15.635 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.122 13.528 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.509 15.158 -6.203 1.00 0.00 H new ATOM 133 N THR A 47 0.361 8.112 -1.084 1.00 0.00 N ATOM 134 CA THR A 47 1.189 7.302 -0.202 1.00 0.00 C ATOM 135 C THR A 47 1.528 5.984 -0.883 1.00 0.00 C ATOM 136 O THR A 47 0.657 5.329 -1.445 1.00 0.00 O ATOM 137 CB THR A 47 0.410 7.033 1.085 1.00 0.00 C ATOM 138 OG1 THR A 47 -0.052 8.243 1.656 1.00 0.00 O ATOM 139 CG2 THR A 47 1.212 6.306 2.138 1.00 0.00 C ATOM 0 H THR A 47 -0.511 7.669 -1.374 1.00 0.00 H new ATOM 0 HA THR A 47 2.116 7.828 0.027 1.00 0.00 H new ATOM 0 HB THR A 47 -0.421 6.394 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.940 8.455 1.299 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.594 6.150 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.536 5.341 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.085 6.901 2.405 1.00 0.00 H new ATOM 147 N ILE A 48 2.774 5.559 -0.761 1.00 0.00 N ATOM 148 CA ILE A 48 3.210 4.289 -1.328 1.00 0.00 C ATOM 149 C ILE A 48 3.617 3.335 -0.214 1.00 0.00 C ATOM 150 O ILE A 48 4.352 3.721 0.700 1.00 0.00 O ATOM 151 CB ILE A 48 4.424 4.524 -2.247 1.00 0.00 C ATOM 152 CG1 ILE A 48 5.501 5.331 -1.516 1.00 0.00 C ATOM 153 CG2 ILE A 48 3.994 5.237 -3.521 1.00 0.00 C ATOM 154 CD1 ILE A 48 6.896 4.775 -1.690 1.00 0.00 C ATOM 0 H ILE A 48 3.506 6.075 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 48 2.388 3.857 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 48 4.846 3.556 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.481 6.359 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.261 5.362 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.863 5.396 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.261 4.627 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.550 6.199 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.606 5.397 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.933 3.757 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.156 4.770 -2.748 1.00 0.00 H new ATOM 166 N ILE A 49 3.223 2.068 -0.323 1.00 0.00 N ATOM 167 CA ILE A 49 3.618 1.087 0.673 1.00 0.00 C ATOM 168 C ILE A 49 4.237 -0.136 0.021 1.00 0.00 C ATOM 169 O ILE A 49 3.671 -0.743 -0.888 1.00 0.00 O ATOM 170 CB ILE A 49 2.446 0.663 1.580 1.00 0.00 C ATOM 171 CG1 ILE A 49 2.894 -0.416 2.573 1.00 0.00 C ATOM 172 CG2 ILE A 49 1.279 0.172 0.748 1.00 0.00 C ATOM 173 CD1 ILE A 49 1.775 -0.938 3.450 1.00 0.00 C ATOM 0 H ILE A 49 2.641 1.705 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 49 4.364 1.572 1.303 1.00 0.00 H new ATOM 0 HB ILE A 49 2.119 1.535 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.329 -1.249 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.681 -0.009 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.462 -0.123 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.942 0.970 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.592 -0.685 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.167 -1.698 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.355 -0.117 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.997 -1.376 2.825 1.00 0.00 H new ATOM 185 N ARG A 50 5.416 -0.478 0.515 1.00 0.00 N ATOM 186 CA ARG A 50 6.158 -1.621 0.014 1.00 0.00 C ATOM 187 C ARG A 50 5.503 -2.916 0.472 1.00 0.00 C ATOM 188 O ARG A 50 6.090 -3.692 1.227 1.00 0.00 O ATOM 189 CB ARG A 50 7.612 -1.563 0.491 1.00 0.00 C ATOM 190 CG ARG A 50 8.617 -1.993 -0.566 1.00 0.00 C ATOM 191 CD ARG A 50 9.547 -0.854 -0.953 1.00 0.00 C ATOM 192 NE ARG A 50 9.062 -0.123 -2.122 1.00 0.00 N ATOM 193 CZ ARG A 50 9.752 0.836 -2.735 1.00 0.00 C ATOM 194 NH1 ARG A 50 10.955 1.185 -2.294 1.00 0.00 N ATOM 195 NH2 ARG A 50 9.238 1.449 -3.793 1.00 0.00 N ATOM 0 H ARG A 50 5.882 0.026 1.270 1.00 0.00 H new ATOM 0 HA ARG A 50 6.149 -1.592 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.842 -0.545 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.724 -2.201 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.204 -2.831 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.087 -2.346 -1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.648 -0.167 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.540 -1.252 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 50 8.141 -0.362 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.356 0.717 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.478 1.921 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.314 1.185 -4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.766 2.184 -4.263 1.00 0.00 H new ATOM 209 N ASN A 51 4.280 -3.145 0.007 1.00 0.00 N ATOM 210 CA ASN A 51 3.546 -4.347 0.368 1.00 0.00 C ATOM 211 C ASN A 51 3.850 -5.479 -0.601 1.00 0.00 C ATOM 212 O ASN A 51 3.029 -6.374 -0.801 1.00 0.00 O ATOM 213 CB ASN A 51 2.043 -4.068 0.394 1.00 0.00 C ATOM 214 CG ASN A 51 1.330 -4.846 1.482 1.00 0.00 C ATOM 215 OD1 ASN A 51 1.575 -4.641 2.671 1.00 0.00 O ATOM 216 ND2 ASN A 51 0.441 -5.747 1.080 1.00 0.00 N ATOM 0 H ASN A 51 3.779 -2.515 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 51 3.865 -4.651 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.877 -3.001 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.612 -4.324 -0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.070 -6.301 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.269 -5.885 0.084 1.00 0.00 H new ATOM 223 N PHE A 52 5.022 -5.415 -1.225 1.00 0.00 N ATOM 224 CA PHE A 52 5.420 -6.418 -2.204 1.00 0.00 C ATOM 225 C PHE A 52 5.119 -7.849 -1.774 1.00 0.00 C ATOM 226 O PHE A 52 4.632 -8.616 -2.586 1.00 0.00 O ATOM 227 CB PHE A 52 6.899 -6.322 -2.578 1.00 0.00 C ATOM 228 CG PHE A 52 7.215 -7.061 -3.861 1.00 0.00 C ATOM 229 CD1 PHE A 52 6.190 -7.567 -4.660 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.524 -7.255 -4.267 1.00 0.00 C ATOM 231 CE1 PHE A 52 6.464 -8.242 -5.829 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.807 -7.933 -5.442 1.00 0.00 C ATOM 233 CZ PHE A 52 7.776 -8.427 -6.223 1.00 0.00 C ATOM 0 H PHE A 52 5.711 -4.680 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 52 4.809 -6.187 -3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.177 -5.274 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.504 -6.729 -1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.163 -7.427 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.333 -6.874 -3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.657 -8.625 -6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.833 -8.076 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.996 -8.956 -7.138 1.00 0.00 H new ATOM 243 N ARG A 53 5.403 -8.243 -0.537 1.00 0.00 N ATOM 244 CA ARG A 53 5.119 -9.633 -0.120 1.00 0.00 C ATOM 245 C ARG A 53 3.722 -10.061 -0.603 1.00 0.00 C ATOM 246 O ARG A 53 3.573 -10.820 -1.578 1.00 0.00 O ATOM 247 CB ARG A 53 5.218 -9.784 1.406 1.00 0.00 C ATOM 248 CG ARG A 53 5.055 -8.482 2.179 1.00 0.00 C ATOM 249 CD ARG A 53 4.801 -8.737 3.657 1.00 0.00 C ATOM 250 NE ARG A 53 3.813 -9.792 3.871 1.00 0.00 N ATOM 251 CZ ARG A 53 2.498 -9.606 3.789 1.00 0.00 C ATOM 252 NH1 ARG A 53 2.006 -8.406 3.502 1.00 0.00 N ATOM 253 NH2 ARG A 53 1.671 -10.621 3.994 1.00 0.00 N ATOM 0 H ARG A 53 5.817 -7.650 0.182 1.00 0.00 H new ATOM 0 HA ARG A 53 5.868 -10.281 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.456 -10.488 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.185 -10.221 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.952 -7.874 2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.227 -7.911 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.737 -9.013 4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.456 -7.817 4.129 1.00 0.00 H new ATOM 0 HE ARG A 53 4.152 -10.727 4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.637 -7.621 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.997 -8.270 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.042 -11.545 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.663 -10.478 3.931 1.00 0.00 H new ATOM 267 N GLU A 54 2.707 -9.522 0.062 1.00 0.00 N ATOM 268 CA GLU A 54 1.324 -9.780 -0.301 1.00 0.00 C ATOM 269 C GLU A 54 1.150 -9.550 -1.794 1.00 0.00 C ATOM 270 O GLU A 54 0.547 -10.357 -2.499 1.00 0.00 O ATOM 271 CB GLU A 54 0.381 -8.871 0.490 1.00 0.00 C ATOM 272 CG GLU A 54 -0.924 -9.545 0.884 1.00 0.00 C ATOM 273 CD GLU A 54 -2.125 -8.635 0.710 1.00 0.00 C ATOM 274 OE1 GLU A 54 -2.445 -7.885 1.657 1.00 0.00 O ATOM 275 OE2 GLU A 54 -2.746 -8.671 -0.373 1.00 0.00 O ATOM 0 H GLU A 54 2.821 -8.899 0.862 1.00 0.00 H new ATOM 0 HA GLU A 54 1.076 -10.814 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.890 -8.529 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.158 -7.986 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.062 -10.442 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.864 -9.866 1.924 1.00 0.00 H new ATOM 282 N LEU A 55 1.687 -8.427 -2.257 1.00 0.00 N ATOM 283 CA LEU A 55 1.609 -8.041 -3.660 1.00 0.00 C ATOM 284 C LEU A 55 1.995 -9.195 -4.588 1.00 0.00 C ATOM 285 O LEU A 55 1.274 -9.480 -5.531 1.00 0.00 O ATOM 286 CB LEU A 55 2.515 -6.834 -3.918 1.00 0.00 C ATOM 287 CG LEU A 55 1.809 -5.582 -4.447 1.00 0.00 C ATOM 288 CD1 LEU A 55 1.442 -5.753 -5.911 1.00 0.00 C ATOM 289 CD2 LEU A 55 0.571 -5.269 -3.620 1.00 0.00 C ATOM 0 H LEU A 55 2.188 -7.759 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 55 0.574 -7.775 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.024 -6.578 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.285 -7.125 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 55 2.498 -4.742 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.941 -4.853 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.346 -5.921 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.774 -6.607 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.086 -4.376 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.121 -6.109 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.860 -5.097 -2.583 1.00 0.00 H new ATOM 301 N ALA A 56 3.119 -9.857 -4.331 1.00 0.00 N ATOM 302 CA ALA A 56 3.571 -10.975 -5.153 1.00 0.00 C ATOM 303 C ALA A 56 2.479 -12.023 -5.262 1.00 0.00 C ATOM 304 O ALA A 56 2.025 -12.366 -6.359 1.00 0.00 O ATOM 305 CB ALA A 56 4.838 -11.582 -4.573 1.00 0.00 C ATOM 0 H ALA A 56 3.739 -9.636 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 56 3.795 -10.604 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.162 -12.414 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.622 -10.826 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.640 -11.942 -3.563 1.00 0.00 H new ATOM 311 N LYS A 57 2.022 -12.511 -4.112 1.00 0.00 N ATOM 312 CA LYS A 57 0.939 -13.492 -4.118 1.00 0.00 C ATOM 313 C LYS A 57 -0.210 -12.921 -4.947 1.00 0.00 C ATOM 314 O LYS A 57 -0.761 -13.561 -5.858 1.00 0.00 O ATOM 315 CB LYS A 57 0.472 -13.797 -2.692 1.00 0.00 C ATOM 316 CG LYS A 57 0.893 -15.171 -2.197 1.00 0.00 C ATOM 317 CD LYS A 57 -0.079 -16.249 -2.652 1.00 0.00 C ATOM 318 CE LYS A 57 0.429 -17.639 -2.304 1.00 0.00 C ATOM 319 NZ LYS A 57 -0.407 -18.705 -2.922 1.00 0.00 N ATOM 0 H LYS A 57 2.371 -12.254 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 57 1.289 -14.428 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.870 -13.039 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.615 -13.722 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.892 -15.401 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.949 -15.166 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.049 -16.087 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.229 -16.174 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.460 -17.744 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.434 -17.763 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.028 -19.638 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.386 -18.621 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.392 -18.602 -3.957 1.00 0.00 H new ATOM 333 N ALA A 58 -0.538 -11.681 -4.626 1.00 0.00 N ATOM 334 CA ALA A 58 -1.580 -10.957 -5.309 1.00 0.00 C ATOM 335 C ALA A 58 -1.403 -11.010 -6.824 1.00 0.00 C ATOM 336 O ALA A 58 -2.358 -11.301 -7.538 1.00 0.00 O ATOM 337 CB ALA A 58 -1.628 -9.516 -4.826 1.00 0.00 C ATOM 0 H ALA A 58 -0.084 -11.152 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.529 -11.439 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.420 -8.982 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.827 -9.498 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.671 -9.033 -5.025 1.00 0.00 H new ATOM 343 N VAL A 59 -0.205 -10.712 -7.340 1.00 0.00 N ATOM 344 CA VAL A 59 -0.008 -10.723 -8.786 1.00 0.00 C ATOM 345 C VAL A 59 -0.521 -11.993 -9.392 1.00 0.00 C ATOM 346 O VAL A 59 -1.325 -11.900 -10.316 1.00 0.00 O ATOM 347 CB VAL A 59 1.426 -10.406 -9.285 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.483 -10.567 -8.205 1.00 0.00 C ATOM 349 CG2 VAL A 59 1.788 -11.242 -10.508 1.00 0.00 C ATOM 0 H VAL A 59 0.620 -10.467 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.601 -9.879 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 59 1.416 -9.353 -9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.464 -10.331 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.265 -9.891 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.480 -11.595 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.799 -10.995 -10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.737 -12.301 -10.253 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.087 -11.029 -11.315 1.00 0.00 H new ATOM 359 N ASN A 60 -0.121 -13.139 -8.843 1.00 0.00 N ATOM 360 CA ASN A 60 -0.612 -14.413 -9.345 1.00 0.00 C ATOM 361 C ASN A 60 -2.131 -14.356 -9.474 1.00 0.00 C ATOM 362 O ASN A 60 -2.712 -14.951 -10.382 1.00 0.00 O ATOM 363 CB ASN A 60 -0.202 -15.553 -8.411 1.00 0.00 C ATOM 364 CG ASN A 60 1.302 -15.741 -8.356 1.00 0.00 C ATOM 365 OD1 ASN A 60 2.006 -15.001 -7.669 1.00 0.00 O ATOM 366 ND2 ASN A 60 1.802 -16.734 -9.081 1.00 0.00 N ATOM 0 H ASN A 60 0.532 -13.208 -8.062 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.173 -14.602 -10.325 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.577 -15.350 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.670 -16.479 -8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.807 -16.908 -9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.181 -17.323 -9.636 1.00 0.00 H new ATOM 373 N ARG A 61 -2.767 -13.615 -8.564 1.00 0.00 N ATOM 374 CA ARG A 61 -4.225 -13.461 -8.594 1.00 0.00 C ATOM 375 C ARG A 61 -4.635 -12.007 -8.886 1.00 0.00 C ATOM 376 O ARG A 61 -5.664 -11.541 -8.396 1.00 0.00 O ATOM 377 CB ARG A 61 -4.831 -13.920 -7.266 1.00 0.00 C ATOM 378 CG ARG A 61 -5.800 -15.082 -7.411 1.00 0.00 C ATOM 379 CD ARG A 61 -5.071 -16.416 -7.426 1.00 0.00 C ATOM 380 NE ARG A 61 -5.868 -17.468 -8.054 1.00 0.00 N ATOM 381 CZ ARG A 61 -5.980 -17.628 -9.371 1.00 0.00 C ATOM 382 NH1 ARG A 61 -5.351 -16.805 -10.203 1.00 0.00 N ATOM 383 NH2 ARG A 61 -6.724 -18.611 -9.858 1.00 0.00 N ATOM 0 H ARG A 61 -2.303 -13.117 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.608 -14.085 -9.401 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.027 -14.210 -6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.350 -13.080 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.515 -15.066 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.371 -14.968 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.128 -16.308 -7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.827 -16.707 -6.404 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.368 -18.118 -7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.779 -16.046 -9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.440 -16.932 -11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.211 -19.245 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.810 -18.734 -10.867 1.00 0.00 H new ATOM 397 N ASP A 62 -3.799 -11.291 -9.648 1.00 0.00 N ATOM 398 CA ASP A 62 -4.030 -9.876 -9.978 1.00 0.00 C ATOM 399 C ASP A 62 -3.463 -8.965 -8.900 1.00 0.00 C ATOM 400 O ASP A 62 -4.194 -8.393 -8.094 1.00 0.00 O ATOM 401 CB ASP A 62 -5.521 -9.585 -10.190 1.00 0.00 C ATOM 402 CG ASP A 62 -6.202 -10.641 -11.039 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.490 -11.388 -11.743 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.448 -10.719 -11.000 1.00 0.00 O ATOM 0 H ASP A 62 -2.945 -11.674 -10.053 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.509 -9.672 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.018 -9.525 -9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.634 -8.611 -10.667 1.00 0.00 H new ATOM 409 N GLU A 63 -2.140 -8.810 -8.929 1.00 0.00 N ATOM 410 CA GLU A 63 -1.437 -7.929 -7.985 1.00 0.00 C ATOM 411 C GLU A 63 -2.098 -6.591 -8.064 1.00 0.00 C ATOM 412 O GLU A 63 -2.383 -5.924 -7.064 1.00 0.00 O ATOM 413 CB GLU A 63 0.042 -7.743 -8.346 1.00 0.00 C ATOM 414 CG GLU A 63 0.289 -7.450 -9.821 1.00 0.00 C ATOM 415 CD GLU A 63 1.750 -7.184 -10.133 1.00 0.00 C ATOM 416 OE1 GLU A 63 2.574 -7.217 -9.194 1.00 0.00 O ATOM 417 OE2 GLU A 63 2.070 -6.944 -11.316 1.00 0.00 O ATOM 0 H GLU A 63 -1.529 -9.282 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.484 -8.375 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.451 -6.926 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.589 -8.644 -8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.057 -8.295 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.304 -6.586 -10.119 1.00 0.00 H new ATOM 424 N GLU A 64 -2.343 -6.227 -9.309 1.00 0.00 N ATOM 425 CA GLU A 64 -2.991 -4.968 -9.612 1.00 0.00 C ATOM 426 C GLU A 64 -4.284 -4.868 -8.816 1.00 0.00 C ATOM 427 O GLU A 64 -4.549 -3.877 -8.120 1.00 0.00 O ATOM 428 CB GLU A 64 -3.271 -4.849 -11.114 1.00 0.00 C ATOM 429 CG GLU A 64 -4.024 -6.037 -11.693 1.00 0.00 C ATOM 430 CD GLU A 64 -4.074 -6.012 -13.208 1.00 0.00 C ATOM 431 OE1 GLU A 64 -2.995 -5.972 -13.837 1.00 0.00 O ATOM 432 OE2 GLU A 64 -5.191 -6.033 -13.765 1.00 0.00 O ATOM 0 H GLU A 64 -2.102 -6.787 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.330 -4.148 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.847 -3.942 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.325 -4.737 -11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.547 -6.960 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.040 -6.045 -11.299 1.00 0.00 H new ATOM 439 N PHE A 65 -5.069 -5.930 -8.905 1.00 0.00 N ATOM 440 CA PHE A 65 -6.324 -6.023 -8.193 1.00 0.00 C ATOM 441 C PHE A 65 -6.134 -5.713 -6.715 1.00 0.00 C ATOM 442 O PHE A 65 -6.904 -4.943 -6.137 1.00 0.00 O ATOM 443 CB PHE A 65 -6.936 -7.416 -8.357 1.00 0.00 C ATOM 444 CG PHE A 65 -8.361 -7.504 -7.889 1.00 0.00 C ATOM 445 CD1 PHE A 65 -9.296 -6.567 -8.296 1.00 0.00 C ATOM 446 CD2 PHE A 65 -8.763 -8.524 -7.042 1.00 0.00 C ATOM 447 CE1 PHE A 65 -10.608 -6.646 -7.866 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.073 -8.609 -6.610 1.00 0.00 C ATOM 449 CZ PHE A 65 -10.996 -7.668 -7.023 1.00 0.00 C ATOM 0 H PHE A 65 -4.850 -6.748 -9.473 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.004 -5.286 -8.619 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.889 -7.704 -9.407 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.335 -8.136 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.997 -5.766 -8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.044 -9.261 -6.716 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.328 -5.909 -8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.374 -9.410 -5.951 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.020 -7.732 -6.687 1.00 0.00 H new ATOM 459 N PHE A 66 -5.133 -6.336 -6.082 1.00 0.00 N ATOM 460 CA PHE A 66 -4.939 -6.106 -4.663 1.00 0.00 C ATOM 461 C PHE A 66 -4.794 -4.620 -4.298 1.00 0.00 C ATOM 462 O PHE A 66 -5.602 -4.105 -3.520 1.00 0.00 O ATOM 463 CB PHE A 66 -3.771 -6.836 -4.016 1.00 0.00 C ATOM 464 CG PHE A 66 -3.638 -6.186 -2.692 1.00 0.00 C ATOM 465 CD1 PHE A 66 -4.643 -6.376 -1.760 1.00 0.00 C ATOM 466 CD2 PHE A 66 -2.674 -5.230 -2.458 1.00 0.00 C ATOM 467 CE1 PHE A 66 -4.670 -5.651 -0.603 1.00 0.00 C ATOM 468 CE2 PHE A 66 -2.721 -4.470 -1.319 1.00 0.00 C ATOM 469 CZ PHE A 66 -3.719 -4.685 -0.390 1.00 0.00 C ATOM 0 H PHE A 66 -4.472 -6.979 -6.518 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.863 -6.523 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.970 -7.903 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.860 -6.734 -4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.415 -7.107 -1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.880 -5.079 -3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.433 -5.836 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.979 -3.704 -1.148 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.752 -4.089 0.510 1.00 0.00 H new ATOM 479 N ALA A 67 -3.753 -3.916 -4.790 1.00 0.00 N ATOM 480 CA ALA A 67 -3.596 -2.521 -4.409 1.00 0.00 C ATOM 481 C ALA A 67 -4.969 -1.875 -4.407 1.00 0.00 C ATOM 482 O ALA A 67 -5.349 -1.202 -3.444 1.00 0.00 O ATOM 483 CB ALA A 67 -2.639 -1.797 -5.345 1.00 0.00 C ATOM 0 H ALA A 67 -3.043 -4.282 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.159 -2.455 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.543 -0.757 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.662 -2.278 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.026 -1.837 -6.363 1.00 0.00 H new ATOM 489 N LYS A 68 -5.741 -2.138 -5.462 1.00 0.00 N ATOM 490 CA LYS A 68 -7.105 -1.634 -5.529 1.00 0.00 C ATOM 491 C LYS A 68 -7.781 -1.844 -4.167 1.00 0.00 C ATOM 492 O LYS A 68 -8.368 -0.921 -3.610 1.00 0.00 O ATOM 493 CB LYS A 68 -7.892 -2.353 -6.627 1.00 0.00 C ATOM 494 CG LYS A 68 -8.891 -1.460 -7.345 1.00 0.00 C ATOM 495 CD LYS A 68 -9.133 -1.929 -8.770 1.00 0.00 C ATOM 496 CE LYS A 68 -10.573 -1.696 -9.198 1.00 0.00 C ATOM 497 NZ LYS A 68 -10.667 -1.255 -10.617 1.00 0.00 N ATOM 0 H LYS A 68 -5.447 -2.689 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.085 -0.571 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.192 -2.760 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.423 -3.198 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.834 -1.453 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.522 -0.435 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.461 -1.401 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.896 -2.990 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.144 -2.615 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.026 -0.943 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.665 -1.107 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.143 -0.365 -10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.258 -1.985 -11.235 1.00 0.00 H new ATOM 511 N TYR A 69 -7.665 -3.062 -3.622 1.00 0.00 N ATOM 512 CA TYR A 69 -8.225 -3.409 -2.309 1.00 0.00 C ATOM 513 C TYR A 69 -7.934 -2.315 -1.308 1.00 0.00 C ATOM 514 O TYR A 69 -8.843 -1.817 -0.644 1.00 0.00 O ATOM 515 CB TYR A 69 -7.673 -4.743 -1.788 1.00 0.00 C ATOM 516 CG TYR A 69 -8.577 -5.920 -2.087 1.00 0.00 C ATOM 517 CD1 TYR A 69 -9.937 -5.859 -1.805 1.00 0.00 C ATOM 518 CD2 TYR A 69 -8.078 -7.089 -2.648 1.00 0.00 C ATOM 519 CE1 TYR A 69 -10.772 -6.927 -2.073 1.00 0.00 C ATOM 520 CE2 TYR A 69 -8.906 -8.161 -2.919 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.252 -8.075 -2.631 1.00 0.00 C ATOM 522 OH TYR A 69 -11.079 -9.142 -2.899 1.00 0.00 O ATOM 0 H TYR A 69 -7.180 -3.835 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.303 -3.514 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.694 -4.923 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.525 -4.671 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.348 -4.961 -1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.025 -7.161 -2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.826 -6.862 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.501 -9.063 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.555 -9.871 -3.292 1.00 0.00 H new ATOM 532 N LEU A 70 -6.672 -1.911 -1.222 1.00 0.00 N ATOM 533 CA LEU A 70 -6.312 -0.826 -0.313 1.00 0.00 C ATOM 534 C LEU A 70 -7.320 0.296 -0.501 1.00 0.00 C ATOM 535 O LEU A 70 -7.898 0.809 0.458 1.00 0.00 O ATOM 536 CB LEU A 70 -4.893 -0.320 -0.569 1.00 0.00 C ATOM 537 CG LEU A 70 -4.061 -0.087 0.698 1.00 0.00 C ATOM 538 CD1 LEU A 70 -4.815 0.793 1.686 1.00 0.00 C ATOM 539 CD2 LEU A 70 -3.691 -1.413 1.344 1.00 0.00 C ATOM 0 H LEU A 70 -5.897 -2.306 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.333 -1.193 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.373 -1.039 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.950 0.614 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.144 0.428 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.206 0.945 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.029 1.757 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.751 0.308 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.101 -1.228 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.599 -1.953 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.108 -2.009 0.642 1.00 0.00 H new ATOM 551 N LEU A 71 -7.552 0.627 -1.766 1.00 0.00 N ATOM 552 CA LEU A 71 -8.527 1.640 -2.134 1.00 0.00 C ATOM 553 C LEU A 71 -9.887 1.230 -1.596 1.00 0.00 C ATOM 554 O LEU A 71 -10.570 2.016 -0.941 1.00 0.00 O ATOM 555 CB LEU A 71 -8.597 1.806 -3.654 1.00 0.00 C ATOM 556 CG LEU A 71 -9.204 3.126 -4.139 1.00 0.00 C ATOM 557 CD1 LEU A 71 -9.358 3.115 -5.651 1.00 0.00 C ATOM 558 CD2 LEU A 71 -10.548 3.380 -3.471 1.00 0.00 C ATOM 0 H LEU A 71 -7.072 0.202 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.226 2.596 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.589 1.717 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.180 0.983 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.527 3.935 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.791 4.060 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.381 2.982 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.013 2.295 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.961 4.323 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.234 2.568 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.413 3.431 -2.391 1.00 0.00 H new ATOM 570 N LYS A 72 -10.268 -0.024 -1.859 1.00 0.00 N ATOM 571 CA LYS A 72 -11.537 -0.543 -1.371 1.00 0.00 C ATOM 572 C LYS A 72 -11.673 -0.233 0.112 1.00 0.00 C ATOM 573 O LYS A 72 -12.704 0.260 0.570 1.00 0.00 O ATOM 574 CB LYS A 72 -11.641 -2.052 -1.612 1.00 0.00 C ATOM 575 CG LYS A 72 -11.797 -2.424 -3.078 1.00 0.00 C ATOM 576 CD LYS A 72 -13.249 -2.703 -3.431 1.00 0.00 C ATOM 577 CE LYS A 72 -13.377 -3.911 -4.346 1.00 0.00 C ATOM 578 NZ LYS A 72 -12.773 -3.660 -5.684 1.00 0.00 N ATOM 0 H LYS A 72 -9.717 -0.689 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.348 -0.061 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.749 -2.537 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.492 -2.443 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.419 -1.614 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.193 -3.304 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.820 -2.874 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.681 -1.829 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.891 -4.770 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.430 -4.166 -4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.881 -4.507 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.254 -2.856 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.762 -3.441 -5.573 1.00 0.00 H new ATOM 592 N GLU A 73 -10.611 -0.528 0.853 1.00 0.00 N ATOM 593 CA GLU A 73 -10.585 -0.288 2.291 1.00 0.00 C ATOM 594 C GLU A 73 -10.878 1.177 2.618 1.00 0.00 C ATOM 595 O GLU A 73 -11.802 1.478 3.374 1.00 0.00 O ATOM 596 CB GLU A 73 -9.224 -0.689 2.867 1.00 0.00 C ATOM 597 CG GLU A 73 -9.311 -1.748 3.954 1.00 0.00 C ATOM 598 CD GLU A 73 -9.060 -1.185 5.339 1.00 0.00 C ATOM 599 OE1 GLU A 73 -8.297 -0.203 5.451 1.00 0.00 O ATOM 600 OE2 GLU A 73 -9.626 -1.727 6.312 1.00 0.00 O ATOM 0 H GLU A 73 -9.754 -0.935 0.480 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.365 -0.898 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.592 -1.060 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.735 0.197 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.298 -2.210 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.585 -2.534 3.749 1.00 0.00 H new ATOM 607 N THR A 74 -10.082 2.084 2.055 1.00 0.00 N ATOM 608 CA THR A 74 -10.257 3.515 2.304 1.00 0.00 C ATOM 609 C THR A 74 -11.461 4.069 1.546 1.00 0.00 C ATOM 610 O THR A 74 -12.481 4.405 2.147 1.00 0.00 O ATOM 611 CB THR A 74 -8.995 4.279 1.905 1.00 0.00 C ATOM 612 OG1 THR A 74 -7.868 3.787 2.608 1.00 0.00 O ATOM 613 CG2 THR A 74 -9.086 5.767 2.169 1.00 0.00 C ATOM 0 H THR A 74 -9.312 1.856 1.426 1.00 0.00 H new ATOM 0 HA THR A 74 -10.437 3.648 3.371 1.00 0.00 H new ATOM 0 HB THR A 74 -8.891 4.123 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.256 4.527 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.157 6.248 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.916 6.187 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.250 5.938 3.233 1.00 0.00 H new ATOM 621 N GLY A 75 -11.340 4.159 0.224 1.00 0.00 N ATOM 622 CA GLY A 75 -12.433 4.671 -0.584 1.00 0.00 C ATOM 623 C GLY A 75 -12.017 5.805 -1.504 1.00 0.00 C ATOM 624 O GLY A 75 -12.606 5.990 -2.569 1.00 0.00 O ATOM 0 H GLY A 75 -10.508 3.888 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.845 3.859 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.230 5.019 0.073 1.00 0.00 H new ATOM 628 N SER A 76 -11.006 6.569 -1.097 1.00 0.00 N ATOM 629 CA SER A 76 -10.526 7.692 -1.901 1.00 0.00 C ATOM 630 C SER A 76 -10.096 7.221 -3.296 1.00 0.00 C ATOM 631 O SER A 76 -10.942 6.905 -4.132 1.00 0.00 O ATOM 632 CB SER A 76 -9.372 8.402 -1.183 1.00 0.00 C ATOM 633 OG SER A 76 -9.853 9.220 -0.130 1.00 0.00 O ATOM 0 H SER A 76 -10.505 6.433 -0.219 1.00 0.00 H new ATOM 0 HA SER A 76 -11.343 8.402 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.677 7.662 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.816 9.011 -1.896 1.00 0.00 H new ATOM 0 HG SER A 76 -9.178 9.271 0.579 1.00 0.00 H new ATOM 639 N ALA A 77 -8.788 7.163 -3.545 1.00 0.00 N ATOM 640 CA ALA A 77 -8.279 6.713 -4.839 1.00 0.00 C ATOM 641 C ALA A 77 -7.127 5.750 -4.620 1.00 0.00 C ATOM 642 O ALA A 77 -6.402 5.888 -3.644 1.00 0.00 O ATOM 643 CB ALA A 77 -7.836 7.900 -5.681 1.00 0.00 C ATOM 0 H ALA A 77 -8.066 7.420 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.075 6.199 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.460 7.545 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.684 8.565 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.046 8.441 -5.160 1.00 0.00 H new ATOM 649 N GLY A 78 -6.959 4.764 -5.492 1.00 0.00 N ATOM 650 CA GLY A 78 -5.875 3.812 -5.296 1.00 0.00 C ATOM 651 C GLY A 78 -5.023 3.581 -6.530 1.00 0.00 C ATOM 652 O GLY A 78 -5.487 3.731 -7.661 1.00 0.00 O ATOM 0 H GLY A 78 -7.539 4.605 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.236 4.167 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.296 2.859 -4.975 1.00 0.00 H new ATOM 656 N ASN A 79 -3.767 3.212 -6.295 1.00 0.00 N ATOM 657 CA ASN A 79 -2.810 2.947 -7.363 1.00 0.00 C ATOM 658 C ASN A 79 -2.122 1.606 -7.117 1.00 0.00 C ATOM 659 O ASN A 79 -1.689 1.318 -6.008 1.00 0.00 O ATOM 660 CB ASN A 79 -1.765 4.065 -7.367 1.00 0.00 C ATOM 661 CG ASN A 79 -1.989 5.059 -8.489 1.00 0.00 C ATOM 662 OD1 ASN A 79 -2.956 4.953 -9.245 1.00 0.00 O ATOM 663 ND2 ASN A 79 -1.095 6.035 -8.603 1.00 0.00 N ATOM 0 H ASN A 79 -3.384 3.088 -5.358 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.324 2.910 -8.323 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.792 4.588 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.771 3.629 -7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.195 6.735 -9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.309 6.085 -7.955 1.00 0.00 H new ATOM 670 N LEU A 80 -1.948 0.827 -8.173 1.00 0.00 N ATOM 671 CA LEU A 80 -1.263 -0.462 -8.077 1.00 0.00 C ATOM 672 C LEU A 80 -0.001 -0.453 -8.935 1.00 0.00 C ATOM 673 O LEU A 80 -0.028 -0.019 -10.086 1.00 0.00 O ATOM 674 CB LEU A 80 -2.208 -1.543 -8.600 1.00 0.00 C ATOM 675 CG LEU A 80 -2.672 -1.331 -10.046 1.00 0.00 C ATOM 676 CD1 LEU A 80 -1.850 -2.179 -11.006 1.00 0.00 C ATOM 677 CD2 LEU A 80 -4.155 -1.641 -10.188 1.00 0.00 C ATOM 0 H LEU A 80 -2.271 1.062 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.986 -0.654 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.710 -2.510 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.084 -1.587 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.518 -0.283 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.196 -2.013 -12.026 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.799 -1.900 -10.930 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.965 -3.232 -10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.462 -1.484 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.338 -2.679 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.728 -0.983 -9.535 1.00 0.00 H new ATOM 689 N GLU A 81 1.082 -1.008 -8.404 1.00 0.00 N ATOM 690 CA GLU A 81 2.332 -1.108 -9.143 1.00 0.00 C ATOM 691 C GLU A 81 2.792 -2.550 -9.076 1.00 0.00 C ATOM 692 O GLU A 81 2.746 -3.148 -8.004 1.00 0.00 O ATOM 693 CB GLU A 81 3.362 -0.190 -8.482 1.00 0.00 C ATOM 694 CG GLU A 81 3.530 1.144 -9.191 1.00 0.00 C ATOM 695 CD GLU A 81 4.593 1.100 -10.271 1.00 0.00 C ATOM 696 OE1 GLU A 81 5.792 1.092 -9.925 1.00 0.00 O ATOM 697 OE2 GLU A 81 4.225 1.073 -11.465 1.00 0.00 O ATOM 0 H GLU A 81 1.118 -1.396 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 81 2.207 -0.809 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.065 -0.008 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.325 -0.700 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.579 1.438 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.791 1.909 -8.460 1.00 0.00 H new ATOM 704 N GLY A 82 3.303 -3.097 -10.159 1.00 0.00 N ATOM 705 CA GLY A 82 3.787 -4.473 -10.125 1.00 0.00 C ATOM 706 C GLY A 82 4.853 -4.779 -9.058 1.00 0.00 C ATOM 707 O GLY A 82 6.007 -5.030 -9.404 1.00 0.00 O ATOM 0 H GLY A 82 3.396 -2.627 -11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.936 -5.134 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.198 -4.718 -11.104 1.00 0.00 H new ATOM 711 N GLY A 83 4.470 -4.814 -7.766 1.00 0.00 N ATOM 712 CA GLY A 83 5.440 -5.162 -6.710 1.00 0.00 C ATOM 713 C GLY A 83 5.262 -4.418 -5.393 1.00 0.00 C ATOM 714 O GLY A 83 5.818 -4.786 -4.366 1.00 0.00 O ATOM 0 H GLY A 83 3.526 -4.612 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.372 -6.232 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.445 -4.969 -7.085 1.00 0.00 H new ATOM 718 N ARG A 84 4.520 -3.365 -5.470 1.00 0.00 N ATOM 719 CA ARG A 84 4.222 -2.469 -4.388 1.00 0.00 C ATOM 720 C ARG A 84 2.741 -2.125 -4.492 1.00 0.00 C ATOM 721 O ARG A 84 2.215 -1.881 -5.578 1.00 0.00 O ATOM 722 CB ARG A 84 5.042 -1.191 -4.581 1.00 0.00 C ATOM 723 CG ARG A 84 4.951 -0.608 -5.981 1.00 0.00 C ATOM 724 CD ARG A 84 6.323 -0.256 -6.531 1.00 0.00 C ATOM 725 NE ARG A 84 6.987 -1.414 -7.127 1.00 0.00 N ATOM 726 CZ ARG A 84 7.991 -1.328 -7.996 1.00 0.00 C ATOM 727 NH1 ARG A 84 8.455 -0.143 -8.371 1.00 0.00 N ATOM 728 NH2 ARG A 84 8.535 -2.432 -8.489 1.00 0.00 N ATOM 0 H ARG A 84 4.074 -3.084 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 84 4.455 -2.915 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.705 -0.443 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.087 -1.403 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.466 -1.325 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.325 0.284 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.223 0.530 -7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.943 0.145 -5.729 1.00 0.00 H new ATOM 0 HE ARG A 84 6.661 -2.343 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.042 0.709 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.225 -0.084 -9.038 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.184 -3.346 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.305 -2.368 -9.155 1.00 0.00 H new ATOM 742 N LEU A 85 2.125 -1.965 -3.351 1.00 0.00 N ATOM 743 CA LEU A 85 0.721 -1.548 -3.289 1.00 0.00 C ATOM 744 C LEU A 85 0.721 -0.084 -2.846 1.00 0.00 C ATOM 745 O LEU A 85 1.447 0.285 -1.925 1.00 0.00 O ATOM 746 CB LEU A 85 0.012 -2.427 -2.242 1.00 0.00 C ATOM 747 CG LEU A 85 -0.616 -1.684 -1.057 1.00 0.00 C ATOM 748 CD1 LEU A 85 -2.031 -1.258 -1.397 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.592 -2.547 0.198 1.00 0.00 C ATOM 0 H LEU A 85 2.562 -2.114 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 85 0.208 -1.653 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.770 -2.997 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.732 -3.147 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.026 -0.790 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.466 -0.731 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.014 -0.597 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.631 -2.139 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.043 -1.999 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.155 -3.463 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.439 -2.797 0.448 1.00 0.00 H new ATOM 761 N ILE A 86 -0.103 0.741 -3.472 1.00 0.00 N ATOM 762 CA ILE A 86 -0.166 2.151 -3.116 1.00 0.00 C ATOM 763 C ILE A 86 -1.579 2.557 -2.737 1.00 0.00 C ATOM 764 O ILE A 86 -2.540 2.244 -3.447 1.00 0.00 O ATOM 765 CB ILE A 86 0.285 3.001 -4.324 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.647 2.525 -4.833 1.00 0.00 C ATOM 767 CG2 ILE A 86 0.336 4.476 -3.958 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.700 2.345 -6.335 1.00 0.00 C ATOM 0 H ILE A 86 -0.734 0.462 -4.224 1.00 0.00 H new ATOM 0 HA ILE A 86 0.489 2.317 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.446 2.875 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.410 3.244 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.895 1.579 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.656 5.055 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.654 4.808 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.043 4.624 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.694 2.006 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.961 1.604 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.483 3.295 -6.823 1.00 0.00 H new ATOM 780 N LEU A 87 -1.694 3.352 -1.683 1.00 0.00 N ATOM 781 CA LEU A 87 -2.981 3.871 -1.265 1.00 0.00 C ATOM 782 C LEU A 87 -2.947 5.389 -1.309 1.00 0.00 C ATOM 783 O LEU A 87 -2.007 6.020 -0.821 1.00 0.00 O ATOM 784 CB LEU A 87 -3.269 3.400 0.164 1.00 0.00 C ATOM 785 CG LEU A 87 -4.456 4.082 0.853 1.00 0.00 C ATOM 786 CD1 LEU A 87 -5.757 3.371 0.511 1.00 0.00 C ATOM 787 CD2 LEU A 87 -4.244 4.124 2.360 1.00 0.00 C ATOM 0 H LEU A 87 -0.909 3.650 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.764 3.509 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.450 2.325 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.377 3.562 0.769 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.524 5.107 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.587 3.871 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.913 3.397 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.704 2.335 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.096 4.611 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.148 3.108 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.335 4.683 2.584 1.00 0.00 H new ATOM 799 N GLN A 88 -4.011 5.972 -1.826 1.00 0.00 N ATOM 800 CA GLN A 88 -4.132 7.420 -1.889 1.00 0.00 C ATOM 801 C GLN A 88 -5.282 7.890 -1.012 1.00 0.00 C ATOM 802 O GLN A 88 -6.458 7.733 -1.361 1.00 0.00 O ATOM 803 CB GLN A 88 -4.332 7.905 -3.329 1.00 0.00 C ATOM 804 CG GLN A 88 -3.541 7.115 -4.361 1.00 0.00 C ATOM 805 CD GLN A 88 -2.538 7.971 -5.109 1.00 0.00 C ATOM 806 OE1 GLN A 88 -1.992 8.930 -4.561 1.00 0.00 O ATOM 807 NE2 GLN A 88 -2.289 7.629 -6.367 1.00 0.00 N ATOM 0 H GLN A 88 -4.808 5.465 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.201 7.849 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.392 7.849 -3.577 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.045 8.955 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.017 6.299 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.231 6.664 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.764 6.827 -6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.623 8.168 -6.920 1.00 0.00 H new ATOM 816 N ARG A 89 -4.926 8.431 0.149 1.00 0.00 N ATOM 817 CA ARG A 89 -5.914 8.904 1.114 1.00 0.00 C ATOM 818 C ARG A 89 -6.360 10.328 0.798 1.00 0.00 C ATOM 819 O ARG A 89 -7.483 10.720 1.114 1.00 0.00 O ATOM 820 CB ARG A 89 -5.343 8.838 2.532 1.00 0.00 C ATOM 821 CG ARG A 89 -6.260 8.144 3.525 1.00 0.00 C ATOM 822 CD ARG A 89 -5.470 7.358 4.557 1.00 0.00 C ATOM 823 NE ARG A 89 -4.804 8.233 5.519 1.00 0.00 N ATOM 824 CZ ARG A 89 -5.418 8.803 6.552 1.00 0.00 C ATOM 825 NH1 ARG A 89 -6.713 8.592 6.763 1.00 0.00 N ATOM 826 NH2 ARG A 89 -4.738 9.587 7.379 1.00 0.00 N ATOM 0 H ARG A 89 -3.958 8.553 0.445 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.785 8.253 1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.387 8.315 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.143 9.851 2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.881 8.885 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.933 7.473 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.139 6.680 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.726 6.742 4.052 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.809 8.418 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.241 7.990 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.179 9.032 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.744 9.753 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.210 10.024 8.171 1.00 0.00 H new ATOM 840 N ARG A 90 -5.477 11.099 0.174 1.00 0.00 N ATOM 841 CA ARG A 90 -5.788 12.479 -0.180 1.00 0.00 C ATOM 842 C ARG A 90 -6.344 12.573 -1.600 1.00 0.00 C ATOM 843 O ARG A 90 -6.279 13.630 -2.228 1.00 0.00 O ATOM 844 CB ARG A 90 -4.540 13.354 -0.051 1.00 0.00 C ATOM 845 CG ARG A 90 -4.247 13.790 1.376 1.00 0.00 C ATOM 846 CD ARG A 90 -3.318 14.993 1.412 1.00 0.00 C ATOM 847 NE ARG A 90 -2.267 14.844 2.416 1.00 0.00 N ATOM 848 CZ ARG A 90 -2.445 15.071 3.715 1.00 0.00 C ATOM 849 NH1 ARG A 90 -3.629 15.457 4.174 1.00 0.00 N ATOM 850 NH2 ARG A 90 -1.434 14.911 4.560 1.00 0.00 N ATOM 0 H ARG A 90 -4.542 10.793 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.551 12.838 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.681 12.806 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.661 14.239 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.181 14.035 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.795 12.964 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.865 15.130 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.897 15.892 1.624 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.342 14.549 2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.410 15.581 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.758 15.629 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.522 14.614 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.569 15.085 5.556 1.00 0.00 H new TER 864 ARG A 90