USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 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 45 ASN : amide:sc= 0.119 K(o=-1.6,f=-3.8) USER MOD Set 1.2: A 88 GLN : amide:sc= -1.69 K(o=-1.6,f=-3.7!) USER MOD Single : A 47 THR OG1 : rot 106:sc= -6.09! USER MOD Single : A 51 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.9!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00263) USER MOD Single : A 60 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.17) 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+ -167:sc= 0 (180deg=-0.179) USER MOD Single : A 74 THR OG1 : rot 75:sc= 0.844 USER MOD Single : A 76 SER OG : rot 112:sc= -0.3 USER MOD Single : A 79 ASN : amide:sc= -0.0532 K(o=-0.053,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 39 7.439 -0.016 5.277 1.00 0.00 N ATOM 2 CA GLU A 39 6.060 -0.473 5.133 1.00 0.00 C ATOM 3 C GLU A 39 5.210 0.583 4.426 1.00 0.00 C ATOM 4 O GLU A 39 5.030 0.529 3.212 1.00 0.00 O ATOM 5 CB GLU A 39 5.456 -0.815 6.501 1.00 0.00 C ATOM 6 CG GLU A 39 5.271 -2.307 6.727 1.00 0.00 C ATOM 7 CD GLU A 39 5.088 -2.658 8.191 1.00 0.00 C ATOM 8 OE1 GLU A 39 6.049 -2.485 8.968 1.00 0.00 O ATOM 9 OE2 GLU A 39 3.981 -3.106 8.560 1.00 0.00 O ATOM 0 HA GLU A 39 6.066 -1.376 4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.100 -0.414 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.490 -0.319 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.403 -2.651 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.137 -2.840 6.335 1.00 0.00 H new ATOM 16 N ILE A 40 4.693 1.541 5.190 1.00 0.00 N ATOM 17 CA ILE A 40 3.865 2.606 4.630 1.00 0.00 C ATOM 18 C ILE A 40 4.577 3.953 4.749 1.00 0.00 C ATOM 19 O ILE A 40 5.075 4.308 5.817 1.00 0.00 O ATOM 20 CB ILE A 40 2.517 2.678 5.378 1.00 0.00 C ATOM 21 CG1 ILE A 40 1.612 3.737 4.746 1.00 0.00 C ATOM 22 CG2 ILE A 40 2.739 2.972 6.854 1.00 0.00 C ATOM 23 CD1 ILE A 40 0.189 3.701 5.260 1.00 0.00 C ATOM 0 H ILE A 40 4.832 1.602 6.199 1.00 0.00 H new ATOM 0 HA ILE A 40 3.688 2.385 3.578 1.00 0.00 H new ATOM 0 HB ILE A 40 2.023 1.710 5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.034 4.724 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.603 3.597 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.777 3.019 7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.346 2.181 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.254 3.927 6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.395 4.479 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.251 2.727 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.187 3.871 6.337 1.00 0.00 H new ATOM 35 N LEU A 41 4.582 4.721 3.663 1.00 0.00 N ATOM 36 CA LEU A 41 5.218 6.036 3.660 1.00 0.00 C ATOM 37 C LEU A 41 4.275 7.069 3.075 1.00 0.00 C ATOM 38 O LEU A 41 3.698 6.847 2.011 1.00 0.00 O ATOM 39 CB LEU A 41 6.483 5.990 2.804 1.00 0.00 C ATOM 40 CG LEU A 41 7.765 5.631 3.556 1.00 0.00 C ATOM 41 CD1 LEU A 41 7.966 4.125 3.584 1.00 0.00 C ATOM 42 CD2 LEU A 41 8.964 6.318 2.920 1.00 0.00 C ATOM 0 H LEU A 41 4.154 4.457 2.776 1.00 0.00 H new ATOM 0 HA LEU A 41 5.468 6.307 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.335 5.265 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.618 6.963 2.331 1.00 0.00 H new ATOM 0 HG LEU A 41 7.670 5.982 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.884 3.890 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.120 3.654 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.039 3.749 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.868 6.052 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.060 5.997 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.824 7.398 2.954 1.00 0.00 H new ATOM 54 N ILE A 42 4.147 8.216 3.729 1.00 0.00 N ATOM 55 CA ILE A 42 3.279 9.256 3.203 1.00 0.00 C ATOM 56 C ILE A 42 4.050 10.531 2.885 1.00 0.00 C ATOM 57 O ILE A 42 4.794 11.054 3.716 1.00 0.00 O ATOM 58 CB ILE A 42 2.163 9.606 4.212 1.00 0.00 C ATOM 59 CG1 ILE A 42 1.615 8.344 4.889 1.00 0.00 C ATOM 60 CG2 ILE A 42 1.045 10.369 3.517 1.00 0.00 C ATOM 61 CD1 ILE A 42 1.608 8.426 6.401 1.00 0.00 C ATOM 0 H ILE A 42 4.621 8.445 4.603 1.00 0.00 H new ATOM 0 HA ILE A 42 2.845 8.860 2.285 1.00 0.00 H new ATOM 0 HB ILE A 42 2.592 10.241 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.599 8.165 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.214 7.487 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.265 10.609 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.443 11.291 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.625 9.754 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.208 7.500 6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.626 8.575 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.985 9.263 6.717 1.00 0.00 H new ATOM 73 N GLU A 43 3.816 11.045 1.685 1.00 0.00 N ATOM 74 CA GLU A 43 4.439 12.277 1.223 1.00 0.00 C ATOM 75 C GLU A 43 3.357 13.128 0.574 1.00 0.00 C ATOM 76 O GLU A 43 2.573 12.615 -0.219 1.00 0.00 O ATOM 77 CB GLU A 43 5.497 11.942 0.171 1.00 0.00 C ATOM 78 CG GLU A 43 6.846 11.562 0.764 1.00 0.00 C ATOM 79 CD GLU A 43 7.814 12.728 0.804 1.00 0.00 C ATOM 80 OE1 GLU A 43 8.361 13.083 -0.261 1.00 0.00 O ATOM 81 OE2 GLU A 43 8.026 13.286 1.902 1.00 0.00 O ATOM 0 H GLU A 43 3.188 10.618 1.004 1.00 0.00 H new ATOM 0 HA GLU A 43 4.905 12.805 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.136 11.119 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.628 12.801 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.700 11.181 1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.282 10.753 0.178 1.00 0.00 H new ATOM 88 N GLY A 44 3.338 14.423 0.845 1.00 0.00 N ATOM 89 CA GLY A 44 2.337 15.276 0.223 1.00 0.00 C ATOM 90 C GLY A 44 0.914 14.787 0.474 1.00 0.00 C ATOM 91 O GLY A 44 0.288 15.176 1.459 1.00 0.00 O ATOM 0 H GLY A 44 3.985 14.898 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.441 16.291 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.518 15.320 -0.851 1.00 0.00 H new ATOM 95 N ASN A 45 0.395 13.938 -0.422 1.00 0.00 N ATOM 96 CA ASN A 45 -0.969 13.414 -0.279 1.00 0.00 C ATOM 97 C ASN A 45 -1.097 11.948 -0.731 1.00 0.00 C ATOM 98 O ASN A 45 -2.158 11.342 -0.582 1.00 0.00 O ATOM 99 CB ASN A 45 -1.946 14.282 -1.075 1.00 0.00 C ATOM 100 CG ASN A 45 -1.468 14.543 -2.489 1.00 0.00 C ATOM 101 OD1 ASN A 45 -1.750 13.770 -3.405 1.00 0.00 O ATOM 102 ND2 ASN A 45 -0.739 15.637 -2.676 1.00 0.00 N ATOM 0 H ASN A 45 0.893 13.602 -1.246 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.211 13.447 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.919 13.792 -1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.085 15.233 -0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.389 15.864 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.529 16.250 -1.889 1.00 0.00 H new ATOM 109 N ARG A 46 -0.020 11.383 -1.272 1.00 0.00 N ATOM 110 CA ARG A 46 -0.017 9.995 -1.734 1.00 0.00 C ATOM 111 C ARG A 46 0.909 9.153 -0.855 1.00 0.00 C ATOM 112 O ARG A 46 2.036 9.559 -0.560 1.00 0.00 O ATOM 113 CB ARG A 46 0.486 9.961 -3.180 1.00 0.00 C ATOM 114 CG ARG A 46 -0.029 11.107 -4.038 1.00 0.00 C ATOM 115 CD ARG A 46 0.116 10.801 -5.521 1.00 0.00 C ATOM 116 NE ARG A 46 -1.039 10.075 -6.045 1.00 0.00 N ATOM 117 CZ ARG A 46 -1.241 9.838 -7.338 1.00 0.00 C ATOM 118 NH1 ARG A 46 -0.368 10.264 -8.243 1.00 0.00 N ATOM 119 NH2 ARG A 46 -2.318 9.171 -7.729 1.00 0.00 N ATOM 0 H ARG A 46 0.868 11.868 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.026 9.588 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.576 9.984 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.189 9.017 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.077 11.295 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.519 12.018 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.240 11.733 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.019 10.212 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.731 9.730 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.463 10.776 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.529 10.079 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.991 8.840 -7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.473 8.989 -8.721 1.00 0.00 H new ATOM 133 N THR A 47 0.470 7.943 -0.508 1.00 0.00 N ATOM 134 CA THR A 47 1.286 7.035 0.285 1.00 0.00 C ATOM 135 C THR A 47 1.472 5.726 -0.467 1.00 0.00 C ATOM 136 O THR A 47 0.519 5.164 -0.993 1.00 0.00 O ATOM 137 CB THR A 47 0.579 6.770 1.612 1.00 0.00 C ATOM 138 OG1 THR A 47 0.457 7.964 2.362 1.00 0.00 O ATOM 139 CG2 THR A 47 1.282 5.749 2.483 1.00 0.00 C ATOM 0 H THR A 47 -0.445 7.573 -0.765 1.00 0.00 H new ATOM 0 HA THR A 47 2.264 7.480 0.469 1.00 0.00 H new ATOM 0 HB THR A 47 -0.398 6.371 1.338 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.472 8.274 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.722 5.613 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.343 4.799 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.287 6.100 2.716 1.00 0.00 H new ATOM 147 N ILE A 48 2.682 5.204 -0.436 1.00 0.00 N ATOM 148 CA ILE A 48 2.987 3.925 -1.074 1.00 0.00 C ATOM 149 C ILE A 48 3.364 2.895 -0.021 1.00 0.00 C ATOM 150 O ILE A 48 4.169 3.183 0.870 1.00 0.00 O ATOM 151 CB ILE A 48 4.176 4.101 -2.040 1.00 0.00 C ATOM 152 CG1 ILE A 48 3.906 5.248 -3.018 1.00 0.00 C ATOM 153 CG2 ILE A 48 4.446 2.807 -2.792 1.00 0.00 C ATOM 154 CD1 ILE A 48 5.165 5.887 -3.560 1.00 0.00 C ATOM 0 H ILE A 48 3.479 5.644 0.025 1.00 0.00 H new ATOM 0 HA ILE A 48 2.107 3.586 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 48 5.062 4.350 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.311 4.873 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.308 6.009 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.288 2.949 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.682 2.015 -2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.562 2.528 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.899 6.691 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.751 6.293 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.754 5.138 -4.090 1.00 0.00 H new ATOM 166 N ILE A 49 2.864 1.667 -0.163 1.00 0.00 N ATOM 167 CA ILE A 49 3.226 0.617 0.771 1.00 0.00 C ATOM 168 C ILE A 49 3.852 -0.559 0.044 1.00 0.00 C ATOM 169 O ILE A 49 3.272 -1.143 -0.872 1.00 0.00 O ATOM 170 CB ILE A 49 2.033 0.146 1.624 1.00 0.00 C ATOM 171 CG1 ILE A 49 2.433 -1.038 2.512 1.00 0.00 C ATOM 172 CG2 ILE A 49 0.865 -0.223 0.738 1.00 0.00 C ATOM 173 CD1 ILE A 49 1.298 -1.565 3.364 1.00 0.00 C ATOM 0 H ILE A 49 2.220 1.385 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 49 3.960 1.046 1.454 1.00 0.00 H new ATOM 0 HB ILE A 49 1.729 0.968 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.808 -1.844 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.253 -0.734 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.030 -0.554 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.562 0.646 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.159 -1.028 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.653 -2.401 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.937 -0.773 4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.485 -1.901 2.720 1.00 0.00 H new ATOM 185 N ARG A 50 5.057 -0.877 0.481 1.00 0.00 N ATOM 186 CA ARG A 50 5.827 -1.968 -0.091 1.00 0.00 C ATOM 187 C ARG A 50 5.285 -3.308 0.377 1.00 0.00 C ATOM 188 O ARG A 50 5.978 -4.070 1.051 1.00 0.00 O ATOM 189 CB ARG A 50 7.302 -1.834 0.291 1.00 0.00 C ATOM 190 CG ARG A 50 7.866 -0.440 0.069 1.00 0.00 C ATOM 191 CD ARG A 50 8.748 -0.384 -1.168 1.00 0.00 C ATOM 192 NE ARG A 50 9.681 0.740 -1.125 1.00 0.00 N ATOM 193 CZ ARG A 50 10.388 1.157 -2.173 1.00 0.00 C ATOM 194 NH1 ARG A 50 10.275 0.545 -3.345 1.00 0.00 N ATOM 195 NH2 ARG A 50 11.213 2.188 -2.047 1.00 0.00 N ATOM 0 H ARG A 50 5.529 -0.388 1.241 1.00 0.00 H new ATOM 0 HA ARG A 50 5.739 -1.919 -1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.422 -2.102 1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.885 -2.549 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.047 0.272 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.443 -0.137 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.307 -1.316 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.122 -0.301 -2.056 1.00 0.00 H new ATOM 0 HE ARG A 50 9.797 1.234 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.644 -0.250 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.819 0.869 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.305 2.660 -1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.755 2.508 -2.849 1.00 0.00 H new ATOM 209 N ASN A 51 4.043 -3.595 0.007 1.00 0.00 N ATOM 210 CA ASN A 51 3.418 -4.851 0.384 1.00 0.00 C ATOM 211 C ASN A 51 3.713 -5.932 -0.646 1.00 0.00 C ATOM 212 O ASN A 51 2.989 -6.920 -0.755 1.00 0.00 O ATOM 213 CB ASN A 51 1.908 -4.672 0.547 1.00 0.00 C ATOM 214 CG ASN A 51 1.282 -5.759 1.399 1.00 0.00 C ATOM 215 OD1 ASN A 51 1.724 -6.908 1.381 1.00 0.00 O ATOM 216 ND2 ASN A 51 0.249 -5.401 2.151 1.00 0.00 N ATOM 0 H ASN A 51 3.454 -2.977 -0.551 1.00 0.00 H new ATOM 0 HA ASN A 51 3.837 -5.164 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.707 -3.700 0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.438 -4.670 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.212 -6.090 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.084 -4.437 2.135 1.00 0.00 H new ATOM 223 N PHE A 52 4.767 -5.712 -1.424 1.00 0.00 N ATOM 224 CA PHE A 52 5.152 -6.633 -2.480 1.00 0.00 C ATOM 225 C PHE A 52 5.112 -8.108 -2.095 1.00 0.00 C ATOM 226 O PHE A 52 4.651 -8.899 -2.897 1.00 0.00 O ATOM 227 CB PHE A 52 6.516 -6.302 -3.083 1.00 0.00 C ATOM 228 CG PHE A 52 6.739 -6.980 -4.417 1.00 0.00 C ATOM 229 CD1 PHE A 52 5.683 -7.591 -5.091 1.00 0.00 C ATOM 230 CD2 PHE A 52 7.997 -7.011 -4.997 1.00 0.00 C ATOM 231 CE1 PHE A 52 5.876 -8.212 -6.306 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.197 -7.635 -6.217 1.00 0.00 C ATOM 233 CZ PHE A 52 7.136 -8.236 -6.872 1.00 0.00 C ATOM 0 H PHE A 52 5.373 -4.896 -1.339 1.00 0.00 H new ATOM 0 HA PHE A 52 4.378 -6.483 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.602 -5.223 -3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.300 -6.606 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.696 -7.578 -4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.830 -6.544 -4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.045 -8.678 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.183 -7.653 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.293 -8.723 -7.823 1.00 0.00 H new ATOM 243 N ARG A 53 5.593 -8.527 -0.934 1.00 0.00 N ATOM 244 CA ARG A 53 5.554 -9.971 -0.610 1.00 0.00 C ATOM 245 C ARG A 53 4.164 -10.578 -0.920 1.00 0.00 C ATOM 246 O ARG A 53 3.960 -11.268 -1.941 1.00 0.00 O ATOM 247 CB ARG A 53 5.916 -10.209 0.862 1.00 0.00 C ATOM 248 CG ARG A 53 5.458 -9.105 1.808 1.00 0.00 C ATOM 249 CD ARG A 53 6.637 -8.419 2.483 1.00 0.00 C ATOM 250 NE ARG A 53 6.393 -8.190 3.907 1.00 0.00 N ATOM 251 CZ ARG A 53 5.678 -7.174 4.384 1.00 0.00 C ATOM 252 NH1 ARG A 53 5.135 -6.289 3.556 1.00 0.00 N ATOM 253 NH2 ARG A 53 5.505 -7.043 5.691 1.00 0.00 N ATOM 0 H ARG A 53 6.002 -7.927 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 53 6.293 -10.469 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.476 -11.153 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.997 -10.317 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.877 -8.368 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.798 -9.526 2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.531 -9.031 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.833 -7.467 1.991 1.00 0.00 H new ATOM 0 HE ARG A 53 6.795 -8.848 4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.265 -6.386 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.588 -5.512 3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.920 -7.721 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.957 -6.265 6.057 1.00 0.00 H new ATOM 267 N GLU A 54 3.206 -10.282 -0.044 1.00 0.00 N ATOM 268 CA GLU A 54 1.837 -10.747 -0.211 1.00 0.00 C ATOM 269 C GLU A 54 1.365 -10.429 -1.619 1.00 0.00 C ATOM 270 O GLU A 54 0.806 -11.279 -2.313 1.00 0.00 O ATOM 271 CB GLU A 54 0.918 -10.090 0.820 1.00 0.00 C ATOM 272 CG GLU A 54 0.938 -10.775 2.177 1.00 0.00 C ATOM 273 CD GLU A 54 2.284 -10.665 2.865 1.00 0.00 C ATOM 274 OE1 GLU A 54 2.663 -9.539 3.251 1.00 0.00 O ATOM 275 OE2 GLU A 54 2.960 -11.704 3.018 1.00 0.00 O ATOM 0 H GLU A 54 3.358 -9.718 0.793 1.00 0.00 H new ATOM 0 HA GLU A 54 1.804 -11.825 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.212 -9.048 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.103 -10.090 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.171 -10.334 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.682 -11.827 2.053 1.00 0.00 H new ATOM 282 N LEU A 55 1.605 -9.190 -2.026 1.00 0.00 N ATOM 283 CA LEU A 55 1.223 -8.722 -3.347 1.00 0.00 C ATOM 284 C LEU A 55 1.669 -9.695 -4.431 1.00 0.00 C ATOM 285 O LEU A 55 0.882 -10.039 -5.296 1.00 0.00 O ATOM 286 CB LEU A 55 1.792 -7.329 -3.619 1.00 0.00 C ATOM 287 CG LEU A 55 0.742 -6.222 -3.708 1.00 0.00 C ATOM 288 CD1 LEU A 55 0.000 -6.086 -2.388 1.00 0.00 C ATOM 289 CD2 LEU A 55 1.389 -4.904 -4.098 1.00 0.00 C ATOM 0 H LEU A 55 2.068 -8.486 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 55 0.135 -8.663 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.500 -7.079 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.354 -7.356 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 55 0.021 -6.490 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.744 -5.293 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.497 -7.027 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.708 -5.840 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.626 -4.128 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.132 -4.628 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.874 -5.010 -5.068 1.00 0.00 H new ATOM 301 N ALA A 56 2.920 -10.138 -4.394 1.00 0.00 N ATOM 302 CA ALA A 56 3.448 -11.068 -5.383 1.00 0.00 C ATOM 303 C ALA A 56 2.485 -12.221 -5.540 1.00 0.00 C ATOM 304 O ALA A 56 2.009 -12.516 -6.644 1.00 0.00 O ATOM 305 CB ALA A 56 4.822 -11.571 -4.964 1.00 0.00 C ATOM 0 H ALA A 56 3.595 -9.863 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 56 3.557 -10.556 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.200 -12.265 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.506 -10.727 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.745 -12.082 -4.004 1.00 0.00 H new ATOM 311 N LYS A 57 2.138 -12.832 -4.412 1.00 0.00 N ATOM 312 CA LYS A 57 1.152 -13.908 -4.449 1.00 0.00 C ATOM 313 C LYS A 57 -0.079 -13.374 -5.185 1.00 0.00 C ATOM 314 O LYS A 57 -0.618 -13.984 -6.126 1.00 0.00 O ATOM 315 CB LYS A 57 0.781 -14.357 -3.034 1.00 0.00 C ATOM 316 CG LYS A 57 1.983 -14.731 -2.182 1.00 0.00 C ATOM 317 CD LYS A 57 1.803 -14.294 -0.738 1.00 0.00 C ATOM 318 CE LYS A 57 1.407 -15.461 0.153 1.00 0.00 C ATOM 319 NZ LYS A 57 2.560 -16.361 0.437 1.00 0.00 N ATOM 0 H LYS A 57 2.510 -12.611 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 57 1.560 -14.778 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.230 -13.556 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.110 -15.214 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.135 -15.810 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.880 -14.268 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.731 -13.854 -0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.039 -13.518 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.004 -15.080 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.612 -16.031 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.208 -17.305 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.161 -16.433 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.117 -15.973 1.225 1.00 0.00 H new ATOM 333 N ALA A 58 -0.487 -12.191 -4.752 1.00 0.00 N ATOM 334 CA ALA A 58 -1.613 -11.495 -5.334 1.00 0.00 C ATOM 335 C ALA A 58 -1.502 -11.402 -6.855 1.00 0.00 C ATOM 336 O ALA A 58 -2.472 -11.678 -7.556 1.00 0.00 O ATOM 337 CB ALA A 58 -1.745 -10.106 -4.727 1.00 0.00 C ATOM 0 H ALA A 58 -0.042 -11.689 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.509 -12.072 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.597 -9.593 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.897 -10.192 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.836 -9.537 -4.920 1.00 0.00 H new ATOM 343 N VAL A 59 -0.344 -10.985 -7.384 1.00 0.00 N ATOM 344 CA VAL A 59 -0.197 -10.837 -8.826 1.00 0.00 C ATOM 345 C VAL A 59 -0.667 -12.070 -9.531 1.00 0.00 C ATOM 346 O VAL A 59 -1.510 -11.942 -10.418 1.00 0.00 O ATOM 347 CB VAL A 59 1.212 -10.417 -9.328 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.158 -10.059 -8.192 1.00 0.00 C ATOM 349 CG2 VAL A 59 1.839 -11.485 -10.220 1.00 0.00 C ATOM 0 H VAL A 59 0.487 -10.750 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.833 -9.989 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 59 1.058 -9.517 -9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.127 -9.774 -8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.745 -9.226 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.281 -10.921 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.823 -11.152 -10.550 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.939 -12.414 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.203 -11.653 -11.089 1.00 0.00 H new ATOM 359 N ASN A 60 -0.186 -13.235 -9.099 1.00 0.00 N ATOM 360 CA ASN A 60 -0.628 -14.487 -9.691 1.00 0.00 C ATOM 361 C ASN A 60 -2.152 -14.501 -9.743 1.00 0.00 C ATOM 362 O ASN A 60 -2.751 -15.024 -10.684 1.00 0.00 O ATOM 363 CB ASN A 60 -0.115 -15.677 -8.878 1.00 0.00 C ATOM 364 CG ASN A 60 1.389 -15.642 -8.688 1.00 0.00 C ATOM 365 OD1 ASN A 60 2.142 -16.184 -9.496 1.00 0.00 O ATOM 366 ND2 ASN A 60 1.835 -15.002 -7.612 1.00 0.00 N ATOM 0 H ASN A 60 0.501 -13.333 -8.351 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.226 -14.570 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.602 -15.684 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.394 -16.604 -9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.837 -14.946 -7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.175 -14.566 -6.968 1.00 0.00 H new ATOM 373 N ARG A 61 -2.772 -13.899 -8.726 1.00 0.00 N ATOM 374 CA ARG A 61 -4.234 -13.820 -8.662 1.00 0.00 C ATOM 375 C ARG A 61 -4.743 -12.394 -8.947 1.00 0.00 C ATOM 376 O ARG A 61 -5.821 -12.015 -8.490 1.00 0.00 O ATOM 377 CB ARG A 61 -4.725 -14.285 -7.289 1.00 0.00 C ATOM 378 CG ARG A 61 -5.547 -15.564 -7.338 1.00 0.00 C ATOM 379 CD ARG A 61 -4.981 -16.630 -6.413 1.00 0.00 C ATOM 380 NE ARG A 61 -5.269 -17.980 -6.891 1.00 0.00 N ATOM 381 CZ ARG A 61 -6.486 -18.519 -6.903 1.00 0.00 C ATOM 382 NH1 ARG A 61 -7.530 -17.827 -6.465 1.00 0.00 N ATOM 383 NH2 ARG A 61 -6.660 -19.754 -7.354 1.00 0.00 N ATOM 0 H ARG A 61 -2.290 -13.462 -7.941 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.634 -14.476 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.865 -14.441 -6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.325 -13.494 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.577 -15.346 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.570 -15.943 -8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.902 -16.499 -6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.399 -16.502 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.491 -18.543 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.402 -16.877 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.460 -18.245 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.861 -20.291 -7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.593 -20.167 -7.363 1.00 0.00 H new ATOM 397 N ASP A 62 -3.943 -11.606 -9.677 1.00 0.00 N ATOM 398 CA ASP A 62 -4.275 -10.210 -10.005 1.00 0.00 C ATOM 399 C ASP A 62 -3.832 -9.261 -8.903 1.00 0.00 C ATOM 400 O ASP A 62 -4.642 -8.751 -8.128 1.00 0.00 O ATOM 401 CB ASP A 62 -5.773 -10.043 -10.284 1.00 0.00 C ATOM 402 CG ASP A 62 -6.325 -11.150 -11.160 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.944 -11.213 -12.348 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.138 -11.954 -10.659 1.00 0.00 O ATOM 0 H ASP A 62 -3.049 -11.916 -10.057 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.729 -9.955 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.316 -10.026 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.945 -9.081 -10.767 1.00 0.00 H new ATOM 409 N GLU A 63 -2.527 -9.000 -8.880 1.00 0.00 N ATOM 410 CA GLU A 63 -1.932 -8.068 -7.914 1.00 0.00 C ATOM 411 C GLU A 63 -2.580 -6.732 -8.126 1.00 0.00 C ATOM 412 O GLU A 63 -2.952 -6.021 -7.186 1.00 0.00 O ATOM 413 CB GLU A 63 -0.421 -7.899 -8.108 1.00 0.00 C ATOM 414 CG GLU A 63 -0.022 -7.425 -9.498 1.00 0.00 C ATOM 415 CD GLU A 63 1.468 -7.173 -9.623 1.00 0.00 C ATOM 416 OE1 GLU A 63 2.028 -6.489 -8.743 1.00 0.00 O ATOM 417 OE2 GLU A 63 2.073 -7.660 -10.602 1.00 0.00 O ATOM 0 H GLU A 63 -1.855 -9.421 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.093 -8.465 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.049 -7.186 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.069 -8.851 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.323 -8.172 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.563 -6.509 -9.734 1.00 0.00 H new ATOM 424 N GLU A 64 -2.707 -6.414 -9.408 1.00 0.00 N ATOM 425 CA GLU A 64 -3.319 -5.163 -9.819 1.00 0.00 C ATOM 426 C GLU A 64 -4.626 -4.981 -9.062 1.00 0.00 C ATOM 427 O GLU A 64 -4.890 -3.940 -8.442 1.00 0.00 O ATOM 428 CB GLU A 64 -3.561 -5.166 -11.335 1.00 0.00 C ATOM 429 CG GLU A 64 -4.490 -4.064 -11.828 1.00 0.00 C ATOM 430 CD GLU A 64 -5.025 -4.335 -13.220 1.00 0.00 C ATOM 431 OE1 GLU A 64 -4.215 -4.381 -14.170 1.00 0.00 O ATOM 432 OE2 GLU A 64 -6.255 -4.501 -13.362 1.00 0.00 O ATOM 0 H GLU A 64 -2.394 -7.006 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.653 -4.331 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.602 -5.070 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.978 -6.131 -11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.325 -3.960 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.955 -3.114 -11.826 1.00 0.00 H new ATOM 439 N PHE A 65 -5.423 -6.035 -9.103 1.00 0.00 N ATOM 440 CA PHE A 65 -6.697 -6.067 -8.426 1.00 0.00 C ATOM 441 C PHE A 65 -6.551 -5.679 -6.962 1.00 0.00 C ATOM 442 O PHE A 65 -7.334 -4.874 -6.455 1.00 0.00 O ATOM 443 CB PHE A 65 -7.323 -7.459 -8.539 1.00 0.00 C ATOM 444 CG PHE A 65 -8.728 -7.444 -9.070 1.00 0.00 C ATOM 445 CD1 PHE A 65 -8.985 -7.043 -10.372 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.790 -7.832 -8.270 1.00 0.00 C ATOM 447 CE1 PHE A 65 -10.276 -7.028 -10.864 1.00 0.00 C ATOM 448 CE2 PHE A 65 -11.084 -7.819 -8.757 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.327 -7.417 -10.056 1.00 0.00 C ATOM 0 H PHE A 65 -5.199 -6.892 -9.609 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.352 -5.341 -8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.704 -8.075 -9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.320 -7.931 -7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.167 -6.739 -11.009 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.605 -8.148 -7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.463 -6.712 -11.880 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.904 -8.123 -8.123 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.337 -7.407 -10.439 1.00 0.00 H new ATOM 459 N PHE A 66 -5.585 -6.279 -6.255 1.00 0.00 N ATOM 460 CA PHE A 66 -5.452 -5.977 -4.842 1.00 0.00 C ATOM 461 C PHE A 66 -5.201 -4.490 -4.528 1.00 0.00 C ATOM 462 O PHE A 66 -6.016 -3.884 -3.829 1.00 0.00 O ATOM 463 CB PHE A 66 -4.413 -6.776 -4.072 1.00 0.00 C ATOM 464 CG PHE A 66 -4.366 -6.100 -2.756 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.502 -6.087 -1.968 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.295 -5.309 -2.410 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.577 -5.288 -0.864 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.347 -4.539 -1.276 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.500 -4.517 -0.514 1.00 0.00 C ATOM 0 H PHE A 66 -4.913 -6.949 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.440 -6.280 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.701 -7.823 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.443 -6.757 -4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.340 -6.716 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.412 -5.294 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.479 -5.264 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.490 -3.952 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.552 -3.888 0.363 1.00 0.00 H new ATOM 479 N ALA A 67 -4.073 -3.881 -4.961 1.00 0.00 N ATOM 480 CA ALA A 67 -3.849 -2.489 -4.604 1.00 0.00 C ATOM 481 C ALA A 67 -5.166 -1.747 -4.733 1.00 0.00 C ATOM 482 O ALA A 67 -5.572 -1.026 -3.819 1.00 0.00 O ATOM 483 CB ALA A 67 -2.764 -1.860 -5.460 1.00 0.00 C ATOM 0 H ALA A 67 -3.346 -4.316 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.495 -2.427 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.625 -0.820 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.830 -2.405 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.057 -1.903 -6.509 1.00 0.00 H new ATOM 489 N LYS A 68 -5.867 -1.978 -5.844 1.00 0.00 N ATOM 490 CA LYS A 68 -7.181 -1.375 -6.030 1.00 0.00 C ATOM 491 C LYS A 68 -7.979 -1.509 -4.725 1.00 0.00 C ATOM 492 O LYS A 68 -8.547 -0.541 -4.231 1.00 0.00 O ATOM 493 CB LYS A 68 -7.928 -2.052 -7.179 1.00 0.00 C ATOM 494 CG LYS A 68 -9.008 -1.180 -7.800 1.00 0.00 C ATOM 495 CD LYS A 68 -8.538 -0.549 -9.100 1.00 0.00 C ATOM 496 CE LYS A 68 -8.968 -1.369 -10.306 1.00 0.00 C ATOM 497 NZ LYS A 68 -9.388 -0.506 -11.444 1.00 0.00 N ATOM 0 H LYS A 68 -5.552 -2.568 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.062 -0.321 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.212 -2.334 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.382 -2.973 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.898 -1.780 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.293 -0.397 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.942 0.460 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.452 -0.458 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.145 -2.010 -10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.792 -2.024 -10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.673 -1.104 -12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.190 0.088 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.594 0.102 -11.730 1.00 0.00 H new ATOM 511 N TYR A 69 -7.994 -2.719 -4.160 1.00 0.00 N ATOM 512 CA TYR A 69 -8.686 -3.016 -2.898 1.00 0.00 C ATOM 513 C TYR A 69 -8.427 -1.940 -1.870 1.00 0.00 C ATOM 514 O TYR A 69 -9.366 -1.341 -1.346 1.00 0.00 O ATOM 515 CB TYR A 69 -8.247 -4.369 -2.326 1.00 0.00 C ATOM 516 CG TYR A 69 -9.145 -5.519 -2.729 1.00 0.00 C ATOM 517 CD1 TYR A 69 -9.050 -6.092 -3.991 1.00 0.00 C ATOM 518 CD2 TYR A 69 -10.090 -6.028 -1.848 1.00 0.00 C ATOM 519 CE1 TYR A 69 -9.870 -7.141 -4.363 1.00 0.00 C ATOM 520 CE2 TYR A 69 -10.913 -7.078 -2.212 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.800 -7.629 -3.469 1.00 0.00 C ATOM 522 OH TYR A 69 -11.618 -8.673 -3.836 1.00 0.00 O ATOM 0 H TYR A 69 -7.524 -3.528 -4.566 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.752 -3.053 -3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.230 -4.581 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.222 -4.303 -1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.323 -5.711 -4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.184 -5.597 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.783 -7.576 -5.348 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.641 -7.464 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.215 -8.898 -3.092 1.00 0.00 H new ATOM 532 N LEU A 70 -7.154 -1.678 -1.586 1.00 0.00 N ATOM 533 CA LEU A 70 -6.819 -0.638 -0.618 1.00 0.00 C ATOM 534 C LEU A 70 -7.646 0.603 -0.929 1.00 0.00 C ATOM 535 O LEU A 70 -8.295 1.171 -0.051 1.00 0.00 O ATOM 536 CB LEU A 70 -5.323 -0.318 -0.599 1.00 0.00 C ATOM 537 CG LEU A 70 -4.713 -0.285 0.807 1.00 0.00 C ATOM 538 CD1 LEU A 70 -4.793 -1.658 1.454 1.00 0.00 C ATOM 539 CD2 LEU A 70 -3.271 0.206 0.774 1.00 0.00 C ATOM 0 H LEU A 70 -6.355 -2.158 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.059 -1.002 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.795 -1.061 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.162 0.648 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.292 0.418 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.355 -1.616 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.836 -1.965 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.245 -2.379 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.867 0.218 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.674 -0.461 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.239 1.213 0.359 1.00 0.00 H new ATOM 551 N LEU A 71 -7.658 0.979 -2.205 1.00 0.00 N ATOM 552 CA LEU A 71 -8.453 2.109 -2.663 1.00 0.00 C ATOM 553 C LEU A 71 -9.905 1.849 -2.299 1.00 0.00 C ATOM 554 O LEU A 71 -10.575 2.701 -1.715 1.00 0.00 O ATOM 555 CB LEU A 71 -8.298 2.323 -4.181 1.00 0.00 C ATOM 556 CG LEU A 71 -9.543 2.850 -4.911 1.00 0.00 C ATOM 557 CD1 LEU A 71 -9.151 3.553 -6.200 1.00 0.00 C ATOM 558 CD2 LEU A 71 -10.519 1.719 -5.204 1.00 0.00 C ATOM 0 H LEU A 71 -7.124 0.515 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.105 3.020 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.478 3.022 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.007 1.376 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.036 3.570 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.047 3.919 -6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.495 4.393 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.630 2.852 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.392 2.117 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.033 0.973 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.831 1.256 -4.268 1.00 0.00 H new ATOM 570 N LYS A 72 -10.382 0.644 -2.626 1.00 0.00 N ATOM 571 CA LYS A 72 -11.745 0.254 -2.307 1.00 0.00 C ATOM 572 C LYS A 72 -12.035 0.571 -0.847 1.00 0.00 C ATOM 573 O LYS A 72 -13.059 1.168 -0.514 1.00 0.00 O ATOM 574 CB LYS A 72 -11.958 -1.237 -2.578 1.00 0.00 C ATOM 575 CG LYS A 72 -13.420 -1.619 -2.749 1.00 0.00 C ATOM 576 CD LYS A 72 -13.569 -3.042 -3.260 1.00 0.00 C ATOM 577 CE LYS A 72 -14.806 -3.194 -4.132 1.00 0.00 C ATOM 578 NZ LYS A 72 -16.023 -2.654 -3.466 1.00 0.00 N ATOM 0 H LYS A 72 -9.840 -0.072 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.431 0.815 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.410 -1.517 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.534 -1.812 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.937 -1.518 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.898 -0.930 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.683 -3.319 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.631 -3.728 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.649 -2.676 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.958 -4.248 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.869 -2.968 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.066 -3.002 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.985 -1.615 -3.463 1.00 0.00 H new ATOM 592 N GLU A 73 -11.111 0.163 0.015 1.00 0.00 N ATOM 593 CA GLU A 73 -11.243 0.395 1.448 1.00 0.00 C ATOM 594 C GLU A 73 -11.155 1.886 1.775 1.00 0.00 C ATOM 595 O GLU A 73 -11.998 2.422 2.495 1.00 0.00 O ATOM 596 CB GLU A 73 -10.161 -0.373 2.209 1.00 0.00 C ATOM 597 CG GLU A 73 -10.328 -1.882 2.143 1.00 0.00 C ATOM 598 CD GLU A 73 -11.579 -2.362 2.851 1.00 0.00 C ATOM 599 OE1 GLU A 73 -11.660 -2.204 4.087 1.00 0.00 O ATOM 600 OE2 GLU A 73 -12.479 -2.896 2.169 1.00 0.00 O ATOM 0 H GLU A 73 -10.260 -0.331 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.224 0.035 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.185 -0.106 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.171 -0.060 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.363 -2.195 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.456 -2.360 2.590 1.00 0.00 H new ATOM 607 N THR A 74 -10.127 2.548 1.249 1.00 0.00 N ATOM 608 CA THR A 74 -9.928 3.974 1.496 1.00 0.00 C ATOM 609 C THR A 74 -11.057 4.806 0.892 1.00 0.00 C ATOM 610 O THR A 74 -11.881 5.364 1.616 1.00 0.00 O ATOM 611 CB THR A 74 -8.582 4.428 0.925 1.00 0.00 C ATOM 612 OG1 THR A 74 -7.551 3.535 1.304 1.00 0.00 O ATOM 613 CG2 THR A 74 -8.178 5.815 1.377 1.00 0.00 C ATOM 0 H THR A 74 -9.420 2.121 0.650 1.00 0.00 H new ATOM 0 HA THR A 74 -9.932 4.129 2.575 1.00 0.00 H new ATOM 0 HB THR A 74 -8.716 4.441 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.623 2.711 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.215 6.075 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.930 6.536 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.097 5.834 2.464 1.00 0.00 H new ATOM 621 N GLY A 75 -11.096 4.881 -0.436 1.00 0.00 N ATOM 622 CA GLY A 75 -12.136 5.644 -1.103 1.00 0.00 C ATOM 623 C GLY A 75 -11.587 6.738 -2.000 1.00 0.00 C ATOM 624 O GLY A 75 -12.165 7.035 -3.046 1.00 0.00 O ATOM 0 H GLY A 75 -10.428 4.428 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.750 4.968 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.789 6.090 -0.353 1.00 0.00 H new ATOM 628 N SER A 76 -10.476 7.346 -1.593 1.00 0.00 N ATOM 629 CA SER A 76 -9.865 8.417 -2.376 1.00 0.00 C ATOM 630 C SER A 76 -9.411 7.904 -3.745 1.00 0.00 C ATOM 631 O SER A 76 -10.203 7.870 -4.685 1.00 0.00 O ATOM 632 CB SER A 76 -8.700 9.044 -1.605 1.00 0.00 C ATOM 633 OG SER A 76 -8.293 8.211 -0.533 1.00 0.00 O ATOM 0 H SER A 76 -9.982 7.117 -0.730 1.00 0.00 H new ATOM 0 HA SER A 76 -10.615 9.190 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.860 9.210 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.997 10.019 -1.220 1.00 0.00 H new ATOM 0 HG SER A 76 -7.402 7.849 -0.720 1.00 0.00 H new ATOM 639 N ALA A 77 -8.145 7.493 -3.865 1.00 0.00 N ATOM 640 CA ALA A 77 -7.643 6.977 -5.141 1.00 0.00 C ATOM 641 C ALA A 77 -6.464 6.046 -4.910 1.00 0.00 C ATOM 642 O ALA A 77 -5.632 6.321 -4.058 1.00 0.00 O ATOM 643 CB ALA A 77 -7.246 8.124 -6.059 1.00 0.00 C ATOM 0 H ALA A 77 -7.460 7.507 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.440 6.410 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.875 7.723 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.114 8.755 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.464 8.716 -5.584 1.00 0.00 H new ATOM 649 N GLY A 78 -6.390 4.940 -5.645 1.00 0.00 N ATOM 650 CA GLY A 78 -5.287 4.008 -5.443 1.00 0.00 C ATOM 651 C GLY A 78 -4.582 3.601 -6.725 1.00 0.00 C ATOM 652 O GLY A 78 -5.203 3.487 -7.782 1.00 0.00 O ATOM 0 H GLY A 78 -7.060 4.672 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.560 4.461 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.666 3.113 -4.949 1.00 0.00 H new ATOM 656 N ASN A 79 -3.271 3.391 -6.618 1.00 0.00 N ATOM 657 CA ASN A 79 -2.441 3.002 -7.757 1.00 0.00 C ATOM 658 C ASN A 79 -1.562 1.796 -7.407 1.00 0.00 C ATOM 659 O ASN A 79 -0.932 1.759 -6.350 1.00 0.00 O ATOM 660 CB ASN A 79 -1.548 4.187 -8.126 1.00 0.00 C ATOM 661 CG ASN A 79 -2.246 5.172 -9.044 1.00 0.00 C ATOM 662 OD1 ASN A 79 -3.337 4.903 -9.547 1.00 0.00 O ATOM 663 ND2 ASN A 79 -1.618 6.319 -9.268 1.00 0.00 N ATOM 0 H ASN A 79 -2.756 3.485 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.084 2.725 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.236 4.700 -7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.644 3.820 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.038 7.020 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.715 6.500 -8.830 1.00 0.00 H new ATOM 670 N LEU A 80 -1.444 0.857 -8.339 1.00 0.00 N ATOM 671 CA LEU A 80 -0.578 -0.307 -8.145 1.00 0.00 C ATOM 672 C LEU A 80 0.609 -0.233 -9.101 1.00 0.00 C ATOM 673 O LEU A 80 0.424 0.043 -10.287 1.00 0.00 O ATOM 674 CB LEU A 80 -1.385 -1.561 -8.463 1.00 0.00 C ATOM 675 CG LEU A 80 -1.938 -1.600 -9.891 1.00 0.00 C ATOM 676 CD1 LEU A 80 -1.309 -2.737 -10.683 1.00 0.00 C ATOM 677 CD2 LEU A 80 -3.455 -1.721 -9.875 1.00 0.00 C ATOM 0 H LEU A 80 -1.933 0.876 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.214 -0.330 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.755 -2.436 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.215 -1.634 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.678 -0.664 -10.385 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.717 -2.745 -11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.229 -2.595 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.530 -3.686 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.829 -1.747 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.741 -2.638 -9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.883 -0.864 -9.354 1.00 0.00 H new ATOM 689 N GLU A 81 1.820 -0.525 -8.621 1.00 0.00 N ATOM 690 CA GLU A 81 2.982 -0.493 -9.509 1.00 0.00 C ATOM 691 C GLU A 81 3.806 -1.757 -9.343 1.00 0.00 C ATOM 692 O GLU A 81 4.096 -2.137 -8.223 1.00 0.00 O ATOM 693 CB GLU A 81 3.852 0.715 -9.153 1.00 0.00 C ATOM 694 CG GLU A 81 3.655 1.902 -10.082 1.00 0.00 C ATOM 695 CD GLU A 81 4.268 3.178 -9.539 1.00 0.00 C ATOM 696 OE1 GLU A 81 5.067 3.093 -8.582 1.00 0.00 O ATOM 697 OE2 GLU A 81 3.949 4.262 -10.070 1.00 0.00 O ATOM 0 H GLU A 81 2.018 -0.779 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 81 2.638 -0.422 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.630 1.023 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.900 0.417 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.097 1.676 -11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.589 2.057 -10.246 1.00 0.00 H new ATOM 704 N GLY A 82 4.265 -2.348 -10.430 1.00 0.00 N ATOM 705 CA GLY A 82 5.126 -3.527 -10.339 1.00 0.00 C ATOM 706 C GLY A 82 4.698 -4.600 -9.325 1.00 0.00 C ATOM 707 O GLY A 82 4.326 -5.704 -9.723 1.00 0.00 O ATOM 0 H GLY A 82 4.062 -2.040 -11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.181 -3.989 -11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.133 -3.197 -10.085 1.00 0.00 H new ATOM 711 N GLY A 83 4.789 -4.305 -8.016 1.00 0.00 N ATOM 712 CA GLY A 83 4.439 -5.312 -7.001 1.00 0.00 C ATOM 713 C GLY A 83 4.187 -4.752 -5.607 1.00 0.00 C ATOM 714 O GLY A 83 3.994 -5.485 -4.647 1.00 0.00 O ATOM 0 H GLY A 83 5.093 -3.405 -7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.547 -5.845 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.244 -6.044 -6.943 1.00 0.00 H new ATOM 718 N ARG A 84 4.134 -3.461 -5.552 1.00 0.00 N ATOM 719 CA ARG A 84 3.854 -2.680 -4.386 1.00 0.00 C ATOM 720 C ARG A 84 2.433 -2.188 -4.555 1.00 0.00 C ATOM 721 O ARG A 84 2.010 -1.784 -5.645 1.00 0.00 O ATOM 722 CB ARG A 84 4.846 -1.513 -4.346 1.00 0.00 C ATOM 723 CG ARG A 84 4.988 -0.775 -5.668 1.00 0.00 C ATOM 724 CD ARG A 84 6.263 -1.174 -6.393 1.00 0.00 C ATOM 725 NE ARG A 84 6.451 -0.420 -7.632 1.00 0.00 N ATOM 726 CZ ARG A 84 6.914 0.827 -7.678 1.00 0.00 C ATOM 727 NH1 ARG A 84 7.238 1.463 -6.560 1.00 0.00 N ATOM 728 NH2 ARG A 84 7.055 1.439 -8.845 1.00 0.00 N ATOM 0 H ARG A 84 4.296 -2.882 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 84 3.953 -3.239 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.528 -0.806 -3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.823 -1.891 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.126 -0.989 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.992 0.300 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.118 -1.012 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.232 -2.240 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 84 6.213 -0.877 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.133 0.996 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.592 2.419 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.809 0.954 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.410 2.395 -8.880 1.00 0.00 H new ATOM 742 N LEU A 85 1.760 -2.092 -3.445 1.00 0.00 N ATOM 743 CA LEU A 85 0.391 -1.582 -3.421 1.00 0.00 C ATOM 744 C LEU A 85 0.436 -0.158 -2.865 1.00 0.00 C ATOM 745 O LEU A 85 1.118 0.102 -1.878 1.00 0.00 O ATOM 746 CB LEU A 85 -0.418 -2.518 -2.503 1.00 0.00 C ATOM 747 CG LEU A 85 -0.986 -1.903 -1.217 1.00 0.00 C ATOM 748 CD1 LEU A 85 -2.471 -1.644 -1.374 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.719 -2.817 -0.027 1.00 0.00 C ATOM 0 H LEU A 85 2.127 -2.358 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.071 -1.555 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.248 -2.926 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.220 -3.357 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.488 -0.951 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.863 -1.208 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.634 -0.954 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.985 -2.584 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.128 -2.366 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.193 -3.784 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.356 -2.956 0.091 1.00 0.00 H new ATOM 761 N ILE A 86 -0.298 0.761 -3.484 1.00 0.00 N ATOM 762 CA ILE A 86 -0.304 2.146 -3.027 1.00 0.00 C ATOM 763 C ILE A 86 -1.714 2.643 -2.757 1.00 0.00 C ATOM 764 O ILE A 86 -2.618 2.474 -3.586 1.00 0.00 O ATOM 765 CB ILE A 86 0.329 3.051 -4.105 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.682 2.492 -4.550 1.00 0.00 C ATOM 767 CG2 ILE A 86 0.475 4.478 -3.598 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.804 2.329 -6.049 1.00 0.00 C ATOM 0 H ILE A 86 -0.890 0.575 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 86 0.267 2.186 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.336 3.067 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.473 3.155 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.841 1.525 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.923 5.096 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.507 4.875 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.113 4.487 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.788 1.929 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.035 1.643 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.677 3.298 -6.532 1.00 0.00 H new ATOM 780 N LEU A 87 -1.867 3.369 -1.659 1.00 0.00 N ATOM 781 CA LEU A 87 -3.135 3.980 -1.317 1.00 0.00 C ATOM 782 C LEU A 87 -2.914 5.465 -1.122 1.00 0.00 C ATOM 783 O LEU A 87 -1.980 5.891 -0.436 1.00 0.00 O ATOM 784 CB LEU A 87 -3.697 3.343 -0.034 1.00 0.00 C ATOM 785 CG LEU A 87 -2.964 3.647 1.285 1.00 0.00 C ATOM 786 CD1 LEU A 87 -1.466 3.423 1.156 1.00 0.00 C ATOM 787 CD2 LEU A 87 -3.263 5.062 1.761 1.00 0.00 C ATOM 0 H LEU A 87 -1.120 3.548 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.858 3.820 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.734 3.662 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.709 2.262 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.337 2.950 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.981 3.647 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.275 2.384 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.066 4.077 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.733 5.251 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.935 5.777 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.335 5.172 1.924 1.00 0.00 H new ATOM 799 N GLN A 88 -3.813 6.252 -1.662 1.00 0.00 N ATOM 800 CA GLN A 88 -3.746 7.694 -1.528 1.00 0.00 C ATOM 801 C GLN A 88 -4.998 8.224 -0.858 1.00 0.00 C ATOM 802 O GLN A 88 -6.073 8.272 -1.466 1.00 0.00 O ATOM 803 CB GLN A 88 -3.556 8.362 -2.891 1.00 0.00 C ATOM 804 CG GLN A 88 -3.488 9.880 -2.823 1.00 0.00 C ATOM 805 CD GLN A 88 -4.296 10.550 -3.917 1.00 0.00 C ATOM 806 OE1 GLN A 88 -5.365 10.073 -4.296 1.00 0.00 O ATOM 807 NE2 GLN A 88 -3.785 11.664 -4.431 1.00 0.00 N ATOM 0 H GLN A 88 -4.609 5.917 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.885 7.934 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.639 7.986 -3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.378 8.073 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.853 10.213 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.448 10.197 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.895 12.023 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.283 12.160 -5.171 1.00 0.00 H new ATOM 816 N ARG A 89 -4.846 8.605 0.409 1.00 0.00 N ATOM 817 CA ARG A 89 -5.961 9.131 1.187 1.00 0.00 C ATOM 818 C ARG A 89 -6.384 10.500 0.663 1.00 0.00 C ATOM 819 O ARG A 89 -5.612 11.179 -0.015 1.00 0.00 O ATOM 820 CB ARG A 89 -5.575 9.233 2.664 1.00 0.00 C ATOM 821 CG ARG A 89 -6.096 8.083 3.510 1.00 0.00 C ATOM 822 CD ARG A 89 -5.054 6.988 3.663 1.00 0.00 C ATOM 823 NE ARG A 89 -5.663 5.662 3.752 1.00 0.00 N ATOM 824 CZ ARG A 89 -6.199 5.164 4.864 1.00 0.00 C ATOM 825 NH1 ARG A 89 -6.209 5.878 5.983 1.00 0.00 N ATOM 826 NH2 ARG A 89 -6.727 3.949 4.858 1.00 0.00 N ATOM 0 H ARG A 89 -3.962 8.559 0.916 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.802 8.445 1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.489 9.270 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.957 10.171 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.382 8.454 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.994 7.670 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.370 7.017 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.460 7.175 4.558 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.678 5.084 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.804 6.814 5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.621 5.490 6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.723 3.395 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.138 3.567 5.710 1.00 0.00 H new ATOM 840 N ARG A 90 -7.610 10.905 0.984 1.00 0.00 N ATOM 841 CA ARG A 90 -8.128 12.198 0.547 1.00 0.00 C ATOM 842 C ARG A 90 -7.147 13.318 0.889 1.00 0.00 C ATOM 843 O ARG A 90 -7.112 14.352 0.223 1.00 0.00 O ATOM 844 CB ARG A 90 -9.485 12.474 1.199 1.00 0.00 C ATOM 845 CG ARG A 90 -10.373 13.404 0.387 1.00 0.00 C ATOM 846 CD ARG A 90 -11.674 12.726 -0.014 1.00 0.00 C ATOM 847 NE ARG A 90 -12.775 13.679 -0.139 1.00 0.00 N ATOM 848 CZ ARG A 90 -12.858 14.595 -1.102 1.00 0.00 C ATOM 849 NH1 ARG A 90 -11.908 14.686 -2.024 1.00 0.00 N ATOM 850 NH2 ARG A 90 -13.894 15.422 -1.142 1.00 0.00 N ATOM 0 H ARG A 90 -8.263 10.357 1.545 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.254 12.166 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.005 11.528 1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.323 12.909 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.593 14.299 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.840 13.728 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.535 12.207 -0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.932 11.970 0.728 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.524 13.640 0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.109 14.052 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.977 15.390 -2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.627 15.356 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.958 16.124 -1.879 1.00 0.00 H new TER 864 ARG A 90