USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 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 61 TYR OH : rot 30:sc= 0.684 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 178:sc= 1.34 (180deg=0.279) USER MOD Single : A 2 THR OG1 : rot -29:sc= 0.0111 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0769) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-1.5) USER MOD Single : A 38 ASN : amide:sc= 0.0445 X(o=0.045,f=-0.019) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0325 (180deg=-0.197) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 48 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-1.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.835) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.66) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -0.259 (180deg=-0.662) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0102 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00955) USER MOD Single : A 78 ASN : amide:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : A 86 ASN : amide:sc= -2.54 K(o=-2.5,f=-3.5) USER MOD Single : A 87 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.1) USER MOD Single : A 89 LYS NZ :NH3+ -166:sc=-0.00611 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 3.902 0.069 -1.519 1.00 30.52 N ATOM 19 CA THR A 2 4.983 -0.848 -1.859 1.00 51.01 C ATOM 20 C THR A 2 6.341 -0.170 -1.726 1.00 4.44 C ATOM 21 O THR A 2 7.368 -0.737 -2.100 1.00 2.54 O ATOM 22 CB THR A 2 4.830 -1.389 -3.293 1.00 44.54 C ATOM 23 OG1 THR A 2 4.994 -0.325 -4.238 1.00 4.21 O ATOM 24 CG2 THR A 2 3.468 -2.038 -3.485 1.00 1.00 C ATOM 0 HA THR A 2 4.925 -1.680 -1.157 1.00 51.01 H new ATOM 0 HB THR A 2 5.600 -2.143 -3.457 1.00 44.54 H new ATOM 0 HG1 THR A 2 4.706 0.520 -3.833 1.00 4.21 H new ATOM 0 HG21 THR A 2 3.384 -2.412 -4.505 1.00 1.00 H new ATOM 0 HG22 THR A 2 3.357 -2.866 -2.785 1.00 1.00 H new ATOM 0 HG23 THR A 2 2.685 -1.302 -3.303 1.00 1.00 H new ATOM 32 N ARG A 3 6.340 1.047 -1.190 1.00 23.42 N ATOM 33 CA ARG A 3 7.574 1.802 -1.008 1.00 14.44 C ATOM 34 C ARG A 3 8.075 1.687 0.429 1.00 13.01 C ATOM 35 O ARG A 3 7.283 1.587 1.367 1.00 64.21 O ATOM 36 CB ARG A 3 7.353 3.273 -1.366 1.00 1.34 C ATOM 37 CG ARG A 3 6.916 3.491 -2.805 1.00 62.10 C ATOM 38 CD ARG A 3 7.393 4.834 -3.335 1.00 1.21 C ATOM 39 NE ARG A 3 6.816 5.144 -4.640 1.00 61.33 N ATOM 40 CZ ARG A 3 7.281 6.095 -5.442 1.00 53.32 C ATOM 41 NH1 ARG A 3 8.324 6.826 -5.074 1.00 50.01 N ATOM 42 NH2 ARG A 3 6.702 6.317 -6.615 1.00 53.23 N ATOM 0 H ARG A 3 5.499 1.530 -0.875 1.00 23.42 H new ATOM 0 HA ARG A 3 8.329 1.382 -1.672 1.00 14.44 H new ATOM 0 HB2 ARG A 3 6.599 3.691 -0.699 1.00 1.34 H new ATOM 0 HB3 ARG A 3 8.277 3.824 -1.188 1.00 1.34 H new ATOM 0 HG2 ARG A 3 7.310 2.691 -3.431 1.00 62.10 H new ATOM 0 HG3 ARG A 3 5.829 3.439 -2.868 1.00 62.10 H new ATOM 0 HD2 ARG A 3 7.128 5.618 -2.626 1.00 1.21 H new ATOM 0 HD3 ARG A 3 8.480 4.828 -3.412 1.00 1.21 H new ATOM 0 HE ARG A 3 6.012 4.600 -4.953 1.00 61.33 H new ATOM 0 HH11 ARG A 3 8.772 6.659 -4.173 1.00 50.01 H new ATOM 0 HH12 ARG A 3 8.679 7.556 -5.692 1.00 50.01 H new ATOM 0 HH21 ARG A 3 5.899 5.757 -6.901 1.00 53.23 H new ATOM 0 HH22 ARG A 3 7.060 7.048 -7.230 1.00 53.23 H new ATOM 56 N ASP A 4 9.393 1.701 0.593 1.00 12.42 N ATOM 57 CA ASP A 4 10.000 1.599 1.915 1.00 31.02 C ATOM 58 C ASP A 4 9.641 2.808 2.773 1.00 35.03 C ATOM 59 O ASP A 4 9.226 3.847 2.258 1.00 32.44 O ATOM 60 CB ASP A 4 11.520 1.478 1.794 1.00 73.40 C ATOM 61 CG ASP A 4 12.160 2.740 1.250 1.00 73.30 C ATOM 62 OD1 ASP A 4 12.084 2.961 0.024 1.00 44.35 O ATOM 63 OD2 ASP A 4 12.737 3.505 2.051 1.00 54.44 O ATOM 0 H ASP A 4 10.062 1.782 -0.173 1.00 12.42 H new ATOM 0 HA ASP A 4 9.609 0.704 2.399 1.00 31.02 H new ATOM 0 HB2 ASP A 4 11.943 1.253 2.773 1.00 73.40 H new ATOM 0 HB3 ASP A 4 11.764 0.640 1.141 1.00 73.40 H new ATOM 68 N PHE A 5 9.801 2.665 4.085 1.00 44.23 N ATOM 69 CA PHE A 5 9.492 3.745 5.015 1.00 61.21 C ATOM 70 C PHE A 5 10.763 4.283 5.666 1.00 70.31 C ATOM 71 O PHE A 5 11.865 3.808 5.389 1.00 10.43 O ATOM 72 CB PHE A 5 8.521 3.256 6.092 1.00 64.00 C ATOM 73 CG PHE A 5 7.077 3.406 5.710 1.00 73.13 C ATOM 74 CD1 PHE A 5 6.403 4.593 5.949 1.00 74.43 C ATOM 75 CD2 PHE A 5 6.392 2.360 5.112 1.00 65.13 C ATOM 76 CE1 PHE A 5 5.073 4.734 5.598 1.00 42.13 C ATOM 77 CE2 PHE A 5 5.063 2.496 4.758 1.00 23.42 C ATOM 78 CZ PHE A 5 4.402 3.684 5.003 1.00 65.34 C ATOM 0 H PHE A 5 10.143 1.812 4.528 1.00 44.23 H new ATOM 0 HA PHE A 5 9.024 4.553 4.453 1.00 61.21 H new ATOM 0 HB2 PHE A 5 8.725 2.207 6.304 1.00 64.00 H new ATOM 0 HB3 PHE A 5 8.704 3.809 7.013 1.00 64.00 H new ATOM 0 HD1 PHE A 5 6.922 5.417 6.415 1.00 74.43 H new ATOM 0 HD2 PHE A 5 6.903 1.428 4.920 1.00 65.13 H new ATOM 0 HE1 PHE A 5 4.559 5.665 5.789 1.00 42.13 H new ATOM 0 HE2 PHE A 5 4.542 1.674 4.290 1.00 23.42 H new ATOM 0 HZ PHE A 5 3.363 3.791 4.730 1.00 65.34 H new ATOM 88 N LYS A 6 10.601 5.277 6.532 1.00 4.03 N ATOM 89 CA LYS A 6 11.734 5.881 7.225 1.00 74.05 C ATOM 90 C LYS A 6 11.732 5.503 8.702 1.00 1.54 C ATOM 91 O LYS A 6 10.715 5.093 9.262 1.00 62.42 O ATOM 92 CB LYS A 6 11.695 7.404 7.076 1.00 24.41 C ATOM 93 CG LYS A 6 12.394 7.911 5.827 1.00 64.34 C ATOM 94 CD LYS A 6 12.627 9.411 5.888 1.00 65.00 C ATOM 95 CE LYS A 6 11.318 10.182 5.825 1.00 74.50 C ATOM 96 NZ LYS A 6 11.527 11.599 5.420 1.00 0.22 N ATOM 0 H LYS A 6 9.696 5.682 6.771 1.00 4.03 H new ATOM 0 HA LYS A 6 12.650 5.501 6.773 1.00 74.05 H new ATOM 0 HB2 LYS A 6 10.656 7.732 7.059 1.00 24.41 H new ATOM 0 HB3 LYS A 6 12.159 7.858 7.952 1.00 24.41 H new ATOM 0 HG2 LYS A 6 13.349 7.398 5.710 1.00 64.34 H new ATOM 0 HG3 LYS A 6 11.793 7.671 4.950 1.00 64.34 H new ATOM 0 HD2 LYS A 6 13.154 9.661 6.809 1.00 65.00 H new ATOM 0 HD3 LYS A 6 13.269 9.714 5.061 1.00 65.00 H new ATOM 0 HE2 LYS A 6 10.645 9.698 5.117 1.00 74.50 H new ATOM 0 HE3 LYS A 6 10.831 10.151 6.800 1.00 74.50 H new ATOM 0 HZ1 LYS A 6 10.611 12.090 5.389 1.00 0.22 H new ATOM 0 HZ2 LYS A 6 12.148 12.069 6.109 1.00 0.22 H new ATOM 0 HZ3 LYS A 6 11.968 11.630 4.479 1.00 0.22 H new ATOM 110 N PRO A 7 12.897 5.646 9.352 1.00 50.42 N ATOM 111 CA PRO A 7 13.055 5.328 10.774 1.00 72.41 C ATOM 112 C PRO A 7 12.319 6.314 11.674 1.00 3.43 C ATOM 113 O PRO A 7 12.598 7.512 11.657 1.00 41.53 O ATOM 114 CB PRO A 7 14.566 5.427 10.994 1.00 23.01 C ATOM 115 CG PRO A 7 15.043 6.361 9.936 1.00 73.24 C ATOM 116 CD PRO A 7 14.150 6.131 8.748 1.00 74.10 C ATOM 0 HA PRO A 7 12.638 4.352 11.022 1.00 72.41 H new ATOM 0 HB2 PRO A 7 14.797 5.806 11.990 1.00 23.01 H new ATOM 0 HB3 PRO A 7 15.044 4.451 10.905 1.00 23.01 H new ATOM 0 HG2 PRO A 7 14.985 7.396 10.274 1.00 73.24 H new ATOM 0 HG3 PRO A 7 16.085 6.166 9.684 1.00 73.24 H new ATOM 0 HD2 PRO A 7 13.994 7.048 8.179 1.00 74.10 H new ATOM 0 HD3 PRO A 7 14.575 5.399 8.062 1.00 74.10 H new ATOM 124 N GLY A 8 11.378 5.802 12.462 1.00 42.23 N ATOM 125 CA GLY A 8 10.618 6.653 13.358 1.00 35.34 C ATOM 126 C GLY A 8 9.336 7.161 12.728 1.00 61.30 C ATOM 127 O GLY A 8 8.819 8.208 13.115 1.00 14.54 O ATOM 0 H GLY A 8 11.129 4.813 12.495 1.00 42.23 H new ATOM 0 HA2 GLY A 8 10.378 6.098 14.265 1.00 35.34 H new ATOM 0 HA3 GLY A 8 11.233 7.502 13.657 1.00 35.34 H new ATOM 131 N ASP A 9 8.824 6.418 11.753 1.00 52.32 N ATOM 132 CA ASP A 9 7.595 6.800 11.066 1.00 31.35 C ATOM 133 C ASP A 9 6.384 6.131 11.709 1.00 74.34 C ATOM 134 O ASP A 9 6.454 4.980 12.143 1.00 1.21 O ATOM 135 CB ASP A 9 7.675 6.425 9.586 1.00 60.41 C ATOM 136 CG ASP A 9 8.150 7.576 8.722 1.00 44.12 C ATOM 137 OD1 ASP A 9 8.840 8.471 9.254 1.00 54.14 O ATOM 138 OD2 ASP A 9 7.832 7.583 7.514 1.00 65.41 O ATOM 0 H ASP A 9 9.240 5.548 11.420 1.00 52.32 H new ATOM 0 HA ASP A 9 7.480 7.880 11.152 1.00 31.35 H new ATOM 0 HB2 ASP A 9 8.352 5.580 9.465 1.00 60.41 H new ATOM 0 HB3 ASP A 9 6.693 6.098 9.243 1.00 60.41 H new ATOM 143 N LEU A 10 5.274 6.858 11.766 1.00 12.44 N ATOM 144 CA LEU A 10 4.046 6.336 12.357 1.00 43.12 C ATOM 145 C LEU A 10 3.255 5.522 11.338 1.00 43.34 C ATOM 146 O LEU A 10 2.745 6.065 10.357 1.00 62.21 O ATOM 147 CB LEU A 10 3.185 7.483 12.890 1.00 63.43 C ATOM 148 CG LEU A 10 3.832 8.369 13.955 1.00 43.05 C ATOM 149 CD1 LEU A 10 4.581 7.522 14.972 1.00 75.42 C ATOM 150 CD2 LEU A 10 4.768 9.381 13.309 1.00 11.14 C ATOM 0 H LEU A 10 5.198 7.811 11.410 1.00 12.44 H new ATOM 0 HA LEU A 10 4.320 5.681 13.184 1.00 43.12 H new ATOM 0 HB2 LEU A 10 2.894 8.113 12.050 1.00 63.43 H new ATOM 0 HB3 LEU A 10 2.269 7.061 13.304 1.00 63.43 H new ATOM 0 HG LEU A 10 3.044 8.912 14.476 1.00 43.05 H new ATOM 0 HD11 LEU A 10 5.035 8.170 15.722 1.00 75.42 H new ATOM 0 HD12 LEU A 10 3.886 6.837 15.457 1.00 75.42 H new ATOM 0 HD13 LEU A 10 5.360 6.951 14.467 1.00 75.42 H new ATOM 0 HD21 LEU A 10 5.220 10.003 14.081 1.00 11.14 H new ATOM 0 HD22 LEU A 10 5.551 8.855 12.762 1.00 11.14 H new ATOM 0 HD23 LEU A 10 4.204 10.010 12.620 1.00 11.14 H new ATOM 162 N ILE A 11 3.156 4.219 11.578 1.00 51.24 N ATOM 163 CA ILE A 11 2.424 3.332 10.682 1.00 21.33 C ATOM 164 C ILE A 11 1.840 2.145 11.441 1.00 21.02 C ATOM 165 O ILE A 11 2.465 1.613 12.359 1.00 14.34 O ATOM 166 CB ILE A 11 3.325 2.808 9.548 1.00 10.41 C ATOM 167 CG1 ILE A 11 4.528 2.061 10.127 1.00 61.24 C ATOM 168 CG2 ILE A 11 3.784 3.958 8.663 1.00 21.33 C ATOM 169 CD1 ILE A 11 4.278 0.584 10.336 1.00 31.24 C ATOM 0 H ILE A 11 3.573 3.754 12.385 1.00 51.24 H new ATOM 0 HA ILE A 11 1.614 3.919 10.249 1.00 21.33 H new ATOM 0 HB ILE A 11 2.749 2.112 8.937 1.00 10.41 H new ATOM 0 HG12 ILE A 11 5.380 2.186 9.458 1.00 61.24 H new ATOM 0 HG13 ILE A 11 4.802 2.513 11.080 1.00 61.24 H new ATOM 0 HG21 ILE A 11 4.420 3.572 7.866 1.00 21.33 H new ATOM 0 HG22 ILE A 11 2.915 4.451 8.227 1.00 21.33 H new ATOM 0 HG23 ILE A 11 4.346 4.675 9.261 1.00 21.33 H new ATOM 0 HD11 ILE A 11 5.173 0.118 10.749 1.00 31.24 H new ATOM 0 HD12 ILE A 11 3.447 0.450 11.029 1.00 31.24 H new ATOM 0 HD13 ILE A 11 4.033 0.118 9.382 1.00 31.24 H new ATOM 181 N PHE A 12 0.639 1.733 11.050 1.00 13.02 N ATOM 182 CA PHE A 12 -0.030 0.608 11.693 1.00 72.21 C ATOM 183 C PHE A 12 0.492 -0.719 11.148 1.00 12.51 C ATOM 184 O PHE A 12 0.279 -1.050 9.982 1.00 11.33 O ATOM 185 CB PHE A 12 -1.543 0.698 11.482 1.00 11.53 C ATOM 186 CG PHE A 12 -2.256 1.451 12.569 1.00 5.33 C ATOM 187 CD1 PHE A 12 -1.846 2.724 12.932 1.00 45.32 C ATOM 188 CD2 PHE A 12 -3.336 0.886 13.228 1.00 5.42 C ATOM 189 CE1 PHE A 12 -2.499 3.419 13.932 1.00 20.32 C ATOM 190 CE2 PHE A 12 -3.993 1.576 14.229 1.00 12.32 C ATOM 191 CZ PHE A 12 -3.575 2.845 14.581 1.00 62.41 C ATOM 0 H PHE A 12 0.109 2.161 10.291 1.00 13.02 H new ATOM 0 HA PHE A 12 0.185 0.653 12.761 1.00 72.21 H new ATOM 0 HB2 PHE A 12 -1.740 1.183 10.526 1.00 11.53 H new ATOM 0 HB3 PHE A 12 -1.954 -0.310 11.419 1.00 11.53 H new ATOM 0 HD1 PHE A 12 -1.006 3.178 12.427 1.00 45.32 H new ATOM 0 HD2 PHE A 12 -3.668 -0.105 12.956 1.00 5.42 H new ATOM 0 HE1 PHE A 12 -2.168 4.410 14.206 1.00 20.32 H new ATOM 0 HE2 PHE A 12 -4.833 1.124 14.736 1.00 12.32 H new ATOM 0 HZ PHE A 12 -4.088 3.387 15.362 1.00 62.41 H new ATOM 201 N ALA A 13 1.177 -1.473 12.001 1.00 1.11 N ATOM 202 CA ALA A 13 1.729 -2.763 11.607 1.00 73.31 C ATOM 203 C ALA A 13 0.656 -3.847 11.625 1.00 63.33 C ATOM 204 O ALA A 13 -0.069 -4.002 12.608 1.00 41.14 O ATOM 205 CB ALA A 13 2.883 -3.145 12.521 1.00 23.32 C ATOM 0 H ALA A 13 1.363 -1.213 12.970 1.00 1.11 H new ATOM 0 HA ALA A 13 2.103 -2.674 10.587 1.00 73.31 H new ATOM 0 HB1 ALA A 13 3.285 -4.111 12.215 1.00 23.32 H new ATOM 0 HB2 ALA A 13 3.665 -2.389 12.455 1.00 23.32 H new ATOM 0 HB3 ALA A 13 2.527 -3.210 13.549 1.00 23.32 H new ATOM 211 N LYS A 14 0.560 -4.596 10.531 1.00 1.22 N ATOM 212 CA LYS A 14 -0.423 -5.667 10.420 1.00 15.54 C ATOM 213 C LYS A 14 0.246 -7.033 10.521 1.00 24.20 C ATOM 214 O LYS A 14 0.901 -7.485 9.581 1.00 15.45 O ATOM 215 CB LYS A 14 -1.182 -5.555 9.096 1.00 13.12 C ATOM 216 CG LYS A 14 -2.037 -6.770 8.781 1.00 55.11 C ATOM 217 CD LYS A 14 -3.019 -7.067 9.902 1.00 20.11 C ATOM 218 CE LYS A 14 -4.239 -7.817 9.390 1.00 32.34 C ATOM 219 NZ LYS A 14 -3.863 -9.074 8.685 1.00 5.34 N ATOM 0 H LYS A 14 1.152 -4.480 9.708 1.00 1.22 H new ATOM 0 HA LYS A 14 -1.128 -5.566 11.245 1.00 15.54 H new ATOM 0 HB2 LYS A 14 -1.819 -4.671 9.125 1.00 13.12 H new ATOM 0 HB3 LYS A 14 -0.466 -5.405 8.288 1.00 13.12 H new ATOM 0 HG2 LYS A 14 -2.583 -6.601 7.853 1.00 55.11 H new ATOM 0 HG3 LYS A 14 -1.395 -7.636 8.620 1.00 55.11 H new ATOM 0 HD2 LYS A 14 -2.525 -7.658 10.673 1.00 20.11 H new ATOM 0 HD3 LYS A 14 -3.334 -6.133 10.368 1.00 20.11 H new ATOM 0 HE2 LYS A 14 -4.897 -8.053 10.226 1.00 32.34 H new ATOM 0 HE3 LYS A 14 -4.802 -7.175 8.712 1.00 32.34 H new ATOM 0 HZ1 LYS A 14 -4.719 -9.630 8.486 1.00 5.34 H new ATOM 0 HZ2 LYS A 14 -3.386 -8.841 7.791 1.00 5.34 H new ATOM 0 HZ3 LYS A 14 -3.221 -9.630 9.285 1.00 5.34 H new ATOM 233 N MET A 15 0.077 -7.687 11.666 1.00 63.25 N ATOM 234 CA MET A 15 0.664 -9.004 11.887 1.00 52.04 C ATOM 235 C MET A 15 -0.274 -10.105 11.401 1.00 23.14 C ATOM 236 O MET A 15 -1.471 -10.087 11.689 1.00 63.12 O ATOM 237 CB MET A 15 0.978 -9.203 13.371 1.00 63.15 C ATOM 238 CG MET A 15 2.390 -8.791 13.753 1.00 5.31 C ATOM 239 SD MET A 15 3.565 -10.155 13.648 1.00 11.22 S ATOM 240 CE MET A 15 3.464 -10.817 15.309 1.00 1.13 C ATOM 0 H MET A 15 -0.461 -7.327 12.454 1.00 63.25 H new ATOM 0 HA MET A 15 1.591 -9.062 11.316 1.00 52.04 H new ATOM 0 HB2 MET A 15 0.267 -8.628 13.965 1.00 63.15 H new ATOM 0 HB3 MET A 15 0.832 -10.252 13.627 1.00 63.15 H new ATOM 0 HG2 MET A 15 2.718 -7.983 13.099 1.00 5.31 H new ATOM 0 HG3 MET A 15 2.387 -8.397 14.769 1.00 5.31 H new ATOM 0 HE1 MET A 15 4.136 -11.670 15.402 1.00 1.13 H new ATOM 0 HE2 MET A 15 3.752 -10.048 16.025 1.00 1.13 H new ATOM 0 HE3 MET A 15 2.442 -11.137 15.512 1.00 1.13 H new ATOM 250 N LYS A 16 0.278 -11.063 10.664 1.00 53.12 N ATOM 251 CA LYS A 16 -0.508 -12.173 10.139 1.00 72.21 C ATOM 252 C LYS A 16 -1.284 -12.866 11.255 1.00 60.14 C ATOM 253 O LYS A 16 -0.700 -13.524 12.114 1.00 65.51 O ATOM 254 CB LYS A 16 0.402 -13.181 9.434 1.00 24.43 C ATOM 255 CG LYS A 16 1.571 -13.645 10.287 1.00 41.34 C ATOM 256 CD LYS A 16 2.632 -14.338 9.449 1.00 61.24 C ATOM 257 CE LYS A 16 3.576 -15.160 10.313 1.00 72.20 C ATOM 258 NZ LYS A 16 4.487 -14.297 11.115 1.00 33.20 N ATOM 0 H LYS A 16 1.267 -11.093 10.417 1.00 53.12 H new ATOM 0 HA LYS A 16 -1.221 -11.772 9.419 1.00 72.21 H new ATOM 0 HB2 LYS A 16 -0.189 -14.048 9.140 1.00 24.43 H new ATOM 0 HB3 LYS A 16 0.787 -12.732 8.518 1.00 24.43 H new ATOM 0 HG2 LYS A 16 2.012 -12.789 10.798 1.00 41.34 H new ATOM 0 HG3 LYS A 16 1.212 -14.327 11.058 1.00 41.34 H new ATOM 0 HD2 LYS A 16 2.152 -14.985 8.715 1.00 61.24 H new ATOM 0 HD3 LYS A 16 3.202 -13.593 8.893 1.00 61.24 H new ATOM 0 HE2 LYS A 16 2.996 -15.796 10.982 1.00 72.20 H new ATOM 0 HE3 LYS A 16 4.167 -15.821 9.678 1.00 72.20 H new ATOM 0 HZ1 LYS A 16 5.114 -14.895 11.690 1.00 33.20 H new ATOM 0 HZ2 LYS A 16 5.059 -13.708 10.476 1.00 33.20 H new ATOM 0 HZ3 LYS A 16 3.924 -13.684 11.739 1.00 33.20 H new ATOM 272 N GLY A 17 -2.605 -12.714 11.234 1.00 42.01 N ATOM 273 CA GLY A 17 -3.439 -13.332 12.248 1.00 24.11 C ATOM 274 C GLY A 17 -3.823 -12.366 13.351 1.00 43.30 C ATOM 275 O GLY A 17 -4.322 -12.776 14.399 1.00 4.43 O ATOM 0 H GLY A 17 -3.112 -12.174 10.533 1.00 42.01 H new ATOM 0 HA2 GLY A 17 -4.343 -13.724 11.781 1.00 24.11 H new ATOM 0 HA3 GLY A 17 -2.910 -14.181 12.681 1.00 24.11 H new ATOM 279 N TYR A 18 -3.589 -11.079 13.116 1.00 23.40 N ATOM 280 CA TYR A 18 -3.910 -10.052 14.100 1.00 63.14 C ATOM 281 C TYR A 18 -4.324 -8.753 13.415 1.00 3.12 C ATOM 282 O TYR A 18 -3.923 -8.460 12.288 1.00 12.45 O ATOM 283 CB TYR A 18 -2.710 -9.800 15.015 1.00 52.35 C ATOM 284 CG TYR A 18 -2.049 -11.066 15.509 1.00 22.30 C ATOM 285 CD1 TYR A 18 -1.094 -11.720 14.740 1.00 23.21 C ATOM 286 CD2 TYR A 18 -2.379 -11.610 16.744 1.00 13.42 C ATOM 287 CE1 TYR A 18 -0.487 -12.878 15.187 1.00 32.14 C ATOM 288 CE2 TYR A 18 -1.777 -12.766 17.200 1.00 21.11 C ATOM 289 CZ TYR A 18 -0.832 -13.397 16.418 1.00 3.21 C ATOM 290 OH TYR A 18 -0.230 -14.550 16.868 1.00 14.21 O ATOM 0 H TYR A 18 -3.178 -10.723 12.253 1.00 23.40 H new ATOM 0 HA TYR A 18 -4.747 -10.408 14.700 1.00 63.14 H new ATOM 0 HB2 TYR A 18 -1.974 -9.201 14.478 1.00 52.35 H new ATOM 0 HB3 TYR A 18 -3.035 -9.211 15.873 1.00 52.35 H new ATOM 0 HD1 TYR A 18 -0.821 -11.316 13.776 1.00 23.21 H new ATOM 0 HD2 TYR A 18 -3.120 -11.120 17.358 1.00 13.42 H new ATOM 0 HE1 TYR A 18 0.253 -13.374 14.576 1.00 32.14 H new ATOM 0 HE2 TYR A 18 -2.045 -13.174 18.164 1.00 21.11 H new ATOM 0 HH TYR A 18 -0.584 -14.780 17.752 1.00 14.21 H new ATOM 300 N PRO A 19 -5.145 -7.954 14.112 1.00 34.11 N ATOM 301 CA PRO A 19 -5.632 -6.672 13.593 1.00 23.31 C ATOM 302 C PRO A 19 -4.527 -5.625 13.507 1.00 2.15 C ATOM 303 O PRO A 19 -3.402 -5.856 13.954 1.00 74.15 O ATOM 304 CB PRO A 19 -6.688 -6.252 14.618 1.00 32.40 C ATOM 305 CG PRO A 19 -6.287 -6.938 15.878 1.00 3.34 C ATOM 306 CD PRO A 19 -5.663 -8.240 15.461 1.00 63.53 C ATOM 0 HA PRO A 19 -6.017 -6.763 12.577 1.00 23.31 H new ATOM 0 HB2 PRO A 19 -6.707 -5.170 14.745 1.00 32.40 H new ATOM 0 HB3 PRO A 19 -7.687 -6.554 14.304 1.00 32.40 H new ATOM 0 HG2 PRO A 19 -5.581 -6.331 16.445 1.00 3.34 H new ATOM 0 HG3 PRO A 19 -7.150 -7.108 16.522 1.00 3.34 H new ATOM 0 HD2 PRO A 19 -4.867 -8.540 16.142 1.00 63.53 H new ATOM 0 HD3 PRO A 19 -6.393 -9.049 15.448 1.00 63.53 H new ATOM 314 N HIS A 20 -4.854 -4.472 12.932 1.00 63.10 N ATOM 315 CA HIS A 20 -3.888 -3.388 12.789 1.00 32.11 C ATOM 316 C HIS A 20 -3.545 -2.784 14.147 1.00 12.43 C ATOM 317 O HIS A 20 -4.392 -2.714 15.038 1.00 51.21 O ATOM 318 CB HIS A 20 -4.439 -2.305 11.860 1.00 21.54 C ATOM 319 CG HIS A 20 -5.012 -2.844 10.586 1.00 60.41 C ATOM 320 ND1 HIS A 20 -4.376 -3.798 9.819 1.00 52.53 N ATOM 321 CD2 HIS A 20 -6.170 -2.560 9.946 1.00 51.52 C ATOM 322 CE1 HIS A 20 -5.118 -4.074 8.761 1.00 65.31 C ATOM 323 NE2 HIS A 20 -6.212 -3.337 8.815 1.00 41.25 N ATOM 0 H HIS A 20 -5.780 -4.264 12.558 1.00 63.10 H new ATOM 0 HA HIS A 20 -2.978 -3.800 12.354 1.00 32.11 H new ATOM 0 HB2 HIS A 20 -5.211 -1.744 12.387 1.00 21.54 H new ATOM 0 HB3 HIS A 20 -3.641 -1.602 11.621 1.00 21.54 H new ATOM 0 HD2 HIS A 20 -6.922 -1.853 10.266 1.00 51.52 H new ATOM 0 HE1 HIS A 20 -4.871 -4.782 7.984 1.00 65.31 H new ATOM 0 HE2 HIS A 20 -6.966 -3.344 8.128 1.00 41.25 H new ATOM 331 N TRP A 21 -2.299 -2.349 14.298 1.00 33.32 N ATOM 332 CA TRP A 21 -1.845 -1.752 15.548 1.00 4.55 C ATOM 333 C TRP A 21 -0.779 -0.692 15.290 1.00 60.25 C ATOM 334 O TRP A 21 0.108 -0.861 14.452 1.00 33.43 O ATOM 335 CB TRP A 21 -1.293 -2.830 16.482 1.00 21.03 C ATOM 336 CG TRP A 21 -0.678 -2.276 17.732 1.00 63.03 C ATOM 337 CD1 TRP A 21 0.571 -1.740 17.862 1.00 45.21 C ATOM 338 CD2 TRP A 21 -1.284 -2.206 19.027 1.00 43.00 C ATOM 339 NE1 TRP A 21 0.779 -1.341 19.160 1.00 13.43 N ATOM 340 CE2 TRP A 21 -0.345 -1.615 19.895 1.00 44.23 C ATOM 341 CE3 TRP A 21 -2.529 -2.583 19.538 1.00 65.02 C ATOM 342 CZ2 TRP A 21 -0.613 -1.395 21.243 1.00 11.40 C ATOM 343 CZ3 TRP A 21 -2.793 -2.364 20.876 1.00 33.03 C ATOM 344 CH2 TRP A 21 -1.840 -1.774 21.716 1.00 2.44 C ATOM 0 H TRP A 21 -1.586 -2.399 13.571 1.00 33.32 H new ATOM 0 HA TRP A 21 -2.701 -1.272 16.024 1.00 4.55 H new ATOM 0 HB2 TRP A 21 -2.099 -3.512 16.754 1.00 21.03 H new ATOM 0 HB3 TRP A 21 -0.546 -3.416 15.947 1.00 21.03 H new ATOM 0 HD1 TRP A 21 1.290 -1.644 17.062 1.00 45.21 H new ATOM 0 HE1 TRP A 21 1.631 -0.911 19.519 1.00 13.43 H new ATOM 0 HE3 TRP A 21 -3.271 -3.037 18.898 1.00 65.02 H new ATOM 0 HZ2 TRP A 21 0.121 -0.941 21.892 1.00 11.40 H new ATOM 0 HZ3 TRP A 21 -3.751 -2.653 21.282 1.00 33.03 H new ATOM 0 HH2 TRP A 21 -2.078 -1.615 22.757 1.00 2.44 H new ATOM 355 N PRO A 22 -0.865 0.427 16.024 1.00 42.04 N ATOM 356 CA PRO A 22 0.085 1.535 15.891 1.00 3.50 C ATOM 357 C PRO A 22 1.470 1.178 16.419 1.00 3.14 C ATOM 358 O PRO A 22 1.646 0.933 17.613 1.00 75.25 O ATOM 359 CB PRO A 22 -0.542 2.644 16.741 1.00 63.43 C ATOM 360 CG PRO A 22 -1.383 1.926 17.738 1.00 33.45 C ATOM 361 CD PRO A 22 -1.896 0.696 17.040 1.00 4.41 C ATOM 0 HA PRO A 22 0.242 1.814 14.849 1.00 3.50 H new ATOM 0 HB2 PRO A 22 0.222 3.249 17.230 1.00 63.43 H new ATOM 0 HB3 PRO A 22 -1.141 3.320 16.131 1.00 63.43 H new ATOM 0 HG2 PRO A 22 -0.800 1.660 18.620 1.00 33.45 H new ATOM 0 HG3 PRO A 22 -2.207 2.554 18.078 1.00 33.45 H new ATOM 0 HD2 PRO A 22 -2.008 -0.140 17.730 1.00 4.41 H new ATOM 0 HD3 PRO A 22 -2.872 0.869 16.587 1.00 4.41 H new ATOM 369 N ALA A 23 2.452 1.151 15.523 1.00 14.25 N ATOM 370 CA ALA A 23 3.822 0.826 15.901 1.00 54.34 C ATOM 371 C ALA A 23 4.806 1.829 15.308 1.00 24.42 C ATOM 372 O ALA A 23 4.406 2.810 14.682 1.00 3.31 O ATOM 373 CB ALA A 23 4.171 -0.586 15.455 1.00 12.02 C ATOM 0 H ALA A 23 2.324 1.350 14.531 1.00 14.25 H new ATOM 0 HA ALA A 23 3.897 0.881 16.987 1.00 54.34 H new ATOM 0 HB1 ALA A 23 5.197 -0.816 15.744 1.00 12.02 H new ATOM 0 HB2 ALA A 23 3.493 -1.295 15.930 1.00 12.02 H new ATOM 0 HB3 ALA A 23 4.074 -0.660 14.372 1.00 12.02 H new ATOM 379 N ARG A 24 6.095 1.575 15.511 1.00 42.24 N ATOM 380 CA ARG A 24 7.137 2.457 14.998 1.00 71.12 C ATOM 381 C ARG A 24 8.109 1.689 14.107 1.00 25.14 C ATOM 382 O ARG A 24 8.383 0.511 14.340 1.00 51.32 O ATOM 383 CB ARG A 24 7.895 3.111 16.154 1.00 44.51 C ATOM 384 CG ARG A 24 9.147 3.855 15.718 1.00 51.45 C ATOM 385 CD ARG A 24 10.383 2.976 15.823 1.00 0.01 C ATOM 386 NE ARG A 24 11.617 3.753 15.735 1.00 74.11 N ATOM 387 CZ ARG A 24 12.806 3.286 16.097 1.00 4.20 C ATOM 388 NH1 ARG A 24 12.923 2.053 16.569 1.00 72.32 N ATOM 389 NH2 ARG A 24 13.883 4.054 15.987 1.00 60.00 N ATOM 0 H ARG A 24 6.443 0.766 16.027 1.00 42.24 H new ATOM 0 HA ARG A 24 6.660 3.234 14.400 1.00 71.12 H new ATOM 0 HB2 ARG A 24 7.230 3.806 16.667 1.00 44.51 H new ATOM 0 HB3 ARG A 24 8.172 2.343 16.876 1.00 44.51 H new ATOM 0 HG2 ARG A 24 9.029 4.197 14.690 1.00 51.45 H new ATOM 0 HG3 ARG A 24 9.277 4.743 16.336 1.00 51.45 H new ATOM 0 HD2 ARG A 24 10.363 2.434 16.768 1.00 0.01 H new ATOM 0 HD3 ARG A 24 10.366 2.231 15.028 1.00 0.01 H new ATOM 0 HE ARG A 24 11.562 4.706 15.376 1.00 74.11 H new ATOM 0 HH11 ARG A 24 12.098 1.459 16.655 1.00 72.32 H new ATOM 0 HH12 ARG A 24 13.838 1.698 16.846 1.00 72.32 H new ATOM 0 HH21 ARG A 24 13.797 5.003 15.624 1.00 60.00 H new ATOM 0 HH22 ARG A 24 14.796 3.695 16.265 1.00 60.00 H new ATOM 403 N VAL A 25 8.629 2.364 13.087 1.00 54.03 N ATOM 404 CA VAL A 25 9.571 1.746 12.162 1.00 51.04 C ATOM 405 C VAL A 25 11.011 1.984 12.603 1.00 34.43 C ATOM 406 O VAL A 25 11.384 3.100 12.965 1.00 72.24 O ATOM 407 CB VAL A 25 9.389 2.286 10.731 1.00 53.13 C ATOM 408 CG1 VAL A 25 10.387 1.638 9.784 1.00 64.10 C ATOM 409 CG2 VAL A 25 7.963 2.057 10.253 1.00 53.31 C ATOM 0 H VAL A 25 8.414 3.339 12.880 1.00 54.03 H new ATOM 0 HA VAL A 25 9.364 0.676 12.168 1.00 51.04 H new ATOM 0 HB VAL A 25 9.578 3.360 10.740 1.00 53.13 H new ATOM 0 HG11 VAL A 25 10.243 2.032 8.778 1.00 64.10 H new ATOM 0 HG12 VAL A 25 11.401 1.858 10.118 1.00 64.10 H new ATOM 0 HG13 VAL A 25 10.233 0.559 9.776 1.00 64.10 H new ATOM 0 HG21 VAL A 25 7.852 2.445 9.240 1.00 53.31 H new ATOM 0 HG22 VAL A 25 7.744 0.989 10.259 1.00 53.31 H new ATOM 0 HG23 VAL A 25 7.269 2.573 10.917 1.00 53.31 H new ATOM 419 N ASP A 26 11.815 0.927 12.571 1.00 3.12 N ATOM 420 CA ASP A 26 13.216 1.020 12.967 1.00 52.42 C ATOM 421 C ASP A 26 14.126 1.039 11.743 1.00 61.12 C ATOM 422 O ASP A 26 13.707 0.686 10.641 1.00 21.32 O ATOM 423 CB ASP A 26 13.590 -0.150 13.878 1.00 15.42 C ATOM 424 CG ASP A 26 14.648 0.225 14.897 1.00 64.05 C ATOM 425 OD1 ASP A 26 15.155 1.365 14.833 1.00 33.55 O ATOM 426 OD2 ASP A 26 14.971 -0.622 15.756 1.00 44.20 O ATOM 0 H ASP A 26 11.521 -0.004 12.275 1.00 3.12 H new ATOM 0 HA ASP A 26 13.352 1.953 13.514 1.00 52.42 H new ATOM 0 HB2 ASP A 26 12.698 -0.502 14.397 1.00 15.42 H new ATOM 0 HB3 ASP A 26 13.953 -0.979 13.270 1.00 15.42 H new ATOM 431 N GLU A 27 15.373 1.454 11.945 1.00 52.11 N ATOM 432 CA GLU A 27 16.341 1.520 10.857 1.00 50.24 C ATOM 433 C GLU A 27 16.972 0.153 10.606 1.00 55.45 C ATOM 434 O GLU A 27 16.652 -0.824 11.282 1.00 32.03 O ATOM 435 CB GLU A 27 17.431 2.546 11.175 1.00 33.13 C ATOM 436 CG GLU A 27 18.116 2.311 12.511 1.00 71.20 C ATOM 437 CD GLU A 27 19.287 3.247 12.739 1.00 54.31 C ATOM 438 OE1 GLU A 27 19.311 4.330 12.117 1.00 30.20 O ATOM 439 OE2 GLU A 27 20.178 2.897 13.540 1.00 24.00 O ATOM 0 H GLU A 27 15.736 1.749 12.851 1.00 52.11 H new ATOM 0 HA GLU A 27 15.813 1.829 9.955 1.00 50.24 H new ATOM 0 HB2 GLU A 27 18.180 2.525 10.383 1.00 33.13 H new ATOM 0 HB3 GLU A 27 16.992 3.543 11.172 1.00 33.13 H new ATOM 0 HG2 GLU A 27 17.391 2.440 13.314 1.00 71.20 H new ATOM 0 HG3 GLU A 27 18.465 1.280 12.559 1.00 71.20 H new ATOM 585 N ASN A 38 12.481 -9.823 2.754 1.00 44.54 N ATOM 586 CA ASN A 38 11.882 -8.593 2.247 1.00 62.33 C ATOM 587 C ASN A 38 10.959 -7.968 3.288 1.00 21.44 C ATOM 588 O ASN A 38 9.781 -7.728 3.026 1.00 55.14 O ATOM 589 CB ASN A 38 11.102 -8.874 0.961 1.00 62.13 C ATOM 590 CG ASN A 38 10.216 -10.099 1.078 1.00 61.22 C ATOM 591 OD1 ASN A 38 10.642 -11.217 0.788 1.00 62.20 O ATOM 592 ND2 ASN A 38 8.975 -9.893 1.504 1.00 24.22 N ATOM 0 HA ASN A 38 12.686 -7.889 2.031 1.00 62.33 H new ATOM 0 HB2 ASN A 38 10.488 -8.007 0.715 1.00 62.13 H new ATOM 0 HB3 ASN A 38 11.802 -9.013 0.137 1.00 62.13 H new ATOM 0 HD21 ASN A 38 8.332 -10.679 1.602 1.00 24.22 H new ATOM 0 HD22 ASN A 38 8.665 -8.949 1.733 1.00 24.22 H new ATOM 599 N LYS A 39 11.503 -7.707 4.472 1.00 1.10 N ATOM 600 CA LYS A 39 10.731 -7.108 5.554 1.00 32.11 C ATOM 601 C LYS A 39 11.582 -6.123 6.349 1.00 14.04 C ATOM 602 O LYS A 39 12.812 -6.165 6.296 1.00 35.55 O ATOM 603 CB LYS A 39 10.188 -8.196 6.484 1.00 42.03 C ATOM 604 CG LYS A 39 9.587 -9.381 5.748 1.00 43.14 C ATOM 605 CD LYS A 39 8.766 -10.257 6.678 1.00 20.43 C ATOM 606 CE LYS A 39 8.290 -11.521 5.978 1.00 23.12 C ATOM 607 NZ LYS A 39 7.536 -11.214 4.731 1.00 25.12 N ATOM 0 H LYS A 39 12.476 -7.901 4.707 1.00 1.10 H new ATOM 0 HA LYS A 39 9.895 -6.565 5.113 1.00 32.11 H new ATOM 0 HB2 LYS A 39 10.995 -8.549 7.126 1.00 42.03 H new ATOM 0 HB3 LYS A 39 9.430 -7.761 7.135 1.00 42.03 H new ATOM 0 HG2 LYS A 39 8.957 -9.023 4.934 1.00 43.14 H new ATOM 0 HG3 LYS A 39 10.384 -9.973 5.298 1.00 43.14 H new ATOM 0 HD2 LYS A 39 9.364 -10.525 7.549 1.00 20.43 H new ATOM 0 HD3 LYS A 39 7.906 -9.696 7.043 1.00 20.43 H new ATOM 0 HE2 LYS A 39 9.148 -12.149 5.738 1.00 23.12 H new ATOM 0 HE3 LYS A 39 7.655 -12.094 6.654 1.00 23.12 H new ATOM 0 HZ1 LYS A 39 7.058 -12.074 4.394 1.00 25.12 H new ATOM 0 HZ2 LYS A 39 6.828 -10.478 4.926 1.00 25.12 H new ATOM 0 HZ3 LYS A 39 8.195 -10.875 4.001 1.00 25.12 H new ATOM 621 N LEU A 40 10.920 -5.238 7.087 1.00 50.13 N ATOM 622 CA LEU A 40 11.616 -4.243 7.895 1.00 51.41 C ATOM 623 C LEU A 40 11.249 -4.385 9.369 1.00 41.24 C ATOM 624 O LEU A 40 10.224 -4.966 9.725 1.00 11.33 O ATOM 625 CB LEU A 40 11.277 -2.833 7.407 1.00 60.11 C ATOM 626 CG LEU A 40 9.869 -2.638 6.843 1.00 61.51 C ATOM 627 CD1 LEU A 40 9.390 -1.215 7.083 1.00 31.31 C ATOM 628 CD2 LEU A 40 9.839 -2.970 5.358 1.00 50.11 C ATOM 0 H LEU A 40 9.903 -5.189 7.142 1.00 50.13 H new ATOM 0 HA LEU A 40 12.688 -4.410 7.789 1.00 51.41 H new ATOM 0 HB2 LEU A 40 11.413 -2.140 8.237 1.00 60.11 H new ATOM 0 HB3 LEU A 40 11.997 -2.554 6.638 1.00 60.11 H new ATOM 0 HG LEU A 40 9.193 -3.319 7.361 1.00 61.51 H new ATOM 0 HD11 LEU A 40 8.386 -1.095 6.675 1.00 31.31 H new ATOM 0 HD12 LEU A 40 9.373 -1.013 8.154 1.00 31.31 H new ATOM 0 HD13 LEU A 40 10.067 -0.516 6.592 1.00 31.31 H new ATOM 0 HD21 LEU A 40 8.829 -2.826 4.973 1.00 50.11 H new ATOM 0 HD22 LEU A 40 10.528 -2.315 4.825 1.00 50.11 H new ATOM 0 HD23 LEU A 40 10.138 -4.008 5.211 1.00 50.11 H new ATOM 640 N PRO A 41 12.104 -3.840 10.247 1.00 64.32 N ATOM 641 CA PRO A 41 11.890 -3.891 11.696 1.00 22.00 C ATOM 642 C PRO A 41 10.723 -3.016 12.141 1.00 44.45 C ATOM 643 O PRO A 41 10.697 -1.815 11.868 1.00 62.12 O ATOM 644 CB PRO A 41 13.206 -3.359 12.268 1.00 4.30 C ATOM 645 CG PRO A 41 13.768 -2.499 11.189 1.00 40.30 C ATOM 646 CD PRO A 41 13.346 -3.133 9.892 1.00 3.34 C ATOM 0 HA PRO A 41 11.637 -4.895 12.035 1.00 22.00 H new ATOM 0 HB2 PRO A 41 13.039 -2.789 13.182 1.00 4.30 H new ATOM 0 HB3 PRO A 41 13.886 -4.173 12.520 1.00 4.30 H new ATOM 0 HG2 PRO A 41 13.390 -1.479 11.266 1.00 40.30 H new ATOM 0 HG3 PRO A 41 14.854 -2.443 11.261 1.00 40.30 H new ATOM 0 HD2 PRO A 41 13.176 -2.386 9.116 1.00 3.34 H new ATOM 0 HD3 PRO A 41 14.105 -3.818 9.514 1.00 3.34 H new ATOM 654 N ILE A 42 9.761 -3.624 12.826 1.00 2.40 N ATOM 655 CA ILE A 42 8.593 -2.898 13.309 1.00 30.13 C ATOM 656 C ILE A 42 8.453 -3.026 14.822 1.00 24.24 C ATOM 657 O ILE A 42 8.094 -4.086 15.336 1.00 12.20 O ATOM 658 CB ILE A 42 7.301 -3.403 12.641 1.00 35.33 C ATOM 659 CG1 ILE A 42 7.480 -3.478 11.124 1.00 44.24 C ATOM 660 CG2 ILE A 42 6.131 -2.498 12.998 1.00 42.33 C ATOM 661 CD1 ILE A 42 7.789 -2.142 10.485 1.00 2.55 C ATOM 0 H ILE A 42 9.767 -4.617 13.059 1.00 2.40 H new ATOM 0 HA ILE A 42 8.742 -1.850 13.048 1.00 30.13 H new ATOM 0 HB ILE A 42 7.086 -4.405 13.012 1.00 35.33 H new ATOM 0 HG12 ILE A 42 8.286 -4.176 10.895 1.00 44.24 H new ATOM 0 HG13 ILE A 42 6.571 -3.883 10.679 1.00 44.24 H new ATOM 0 HG21 ILE A 42 5.225 -2.868 12.518 1.00 42.33 H new ATOM 0 HG22 ILE A 42 5.992 -2.492 14.079 1.00 42.33 H new ATOM 0 HG23 ILE A 42 6.336 -1.485 12.653 1.00 42.33 H new ATOM 0 HD11 ILE A 42 7.903 -2.271 9.409 1.00 2.55 H new ATOM 0 HD12 ILE A 42 6.973 -1.447 10.683 1.00 2.55 H new ATOM 0 HD13 ILE A 42 8.714 -1.744 10.903 1.00 2.55 H new ATOM 673 N PHE A 43 8.739 -1.939 15.531 1.00 33.15 N ATOM 674 CA PHE A 43 8.644 -1.929 16.987 1.00 43.04 C ATOM 675 C PHE A 43 7.207 -1.685 17.437 1.00 51.33 C ATOM 676 O PHE A 43 6.690 -0.573 17.325 1.00 10.12 O ATOM 677 CB PHE A 43 9.563 -0.854 17.571 1.00 23.20 C ATOM 678 CG PHE A 43 9.664 -0.901 19.069 1.00 71.31 C ATOM 679 CD1 PHE A 43 9.999 -2.079 19.717 1.00 32.32 C ATOM 680 CD2 PHE A 43 9.424 0.232 19.829 1.00 43.34 C ATOM 681 CE1 PHE A 43 10.091 -2.125 21.095 1.00 23.44 C ATOM 682 CE2 PHE A 43 9.516 0.192 21.207 1.00 13.33 C ATOM 683 CZ PHE A 43 9.851 -0.988 21.841 1.00 33.03 C ATOM 0 H PHE A 43 9.038 -1.054 15.122 1.00 33.15 H new ATOM 0 HA PHE A 43 8.959 -2.906 17.354 1.00 43.04 H new ATOM 0 HB2 PHE A 43 10.559 -0.968 17.144 1.00 23.20 H new ATOM 0 HB3 PHE A 43 9.198 0.128 17.270 1.00 23.20 H new ATOM 0 HD1 PHE A 43 10.190 -2.971 19.139 1.00 32.32 H new ATOM 0 HD2 PHE A 43 9.162 1.158 19.338 1.00 43.34 H new ATOM 0 HE1 PHE A 43 10.351 -3.050 21.588 1.00 23.44 H new ATOM 0 HE2 PHE A 43 9.326 1.083 21.788 1.00 13.33 H new ATOM 0 HZ PHE A 43 9.925 -1.022 22.918 1.00 33.03 H new ATOM 693 N PHE A 44 6.566 -2.732 17.945 1.00 24.13 N ATOM 694 CA PHE A 44 5.188 -2.633 18.411 1.00 21.12 C ATOM 695 C PHE A 44 5.111 -1.848 19.717 1.00 34.24 C ATOM 696 O PHE A 44 5.572 -2.311 20.761 1.00 10.30 O ATOM 697 CB PHE A 44 4.592 -4.029 18.605 1.00 15.44 C ATOM 698 CG PHE A 44 4.012 -4.613 17.349 1.00 41.01 C ATOM 699 CD1 PHE A 44 3.103 -3.894 16.590 1.00 34.21 C ATOM 700 CD2 PHE A 44 4.377 -5.881 16.927 1.00 75.41 C ATOM 701 CE1 PHE A 44 2.568 -4.429 15.433 1.00 14.21 C ATOM 702 CE2 PHE A 44 3.845 -6.421 15.771 1.00 63.03 C ATOM 703 CZ PHE A 44 2.939 -5.694 15.024 1.00 71.44 C ATOM 0 H PHE A 44 6.979 -3.659 18.045 1.00 24.13 H new ATOM 0 HA PHE A 44 4.611 -2.101 17.654 1.00 21.12 H new ATOM 0 HB2 PHE A 44 5.366 -4.697 18.983 1.00 15.44 H new ATOM 0 HB3 PHE A 44 3.814 -3.980 19.367 1.00 15.44 H new ATOM 0 HD1 PHE A 44 2.809 -2.904 16.906 1.00 34.21 H new ATOM 0 HD2 PHE A 44 5.085 -6.454 17.508 1.00 75.41 H new ATOM 0 HE1 PHE A 44 1.861 -3.858 14.850 1.00 14.21 H new ATOM 0 HE2 PHE A 44 4.138 -7.411 15.452 1.00 63.03 H new ATOM 0 HZ PHE A 44 2.521 -6.115 14.121 1.00 71.44 H new ATOM 713 N PHE A 45 4.524 -0.658 19.651 1.00 2.53 N ATOM 714 CA PHE A 45 4.387 0.193 20.828 1.00 40.54 C ATOM 715 C PHE A 45 3.326 -0.357 21.776 1.00 1.13 C ATOM 716 O PHE A 45 2.337 -0.946 21.344 1.00 74.21 O ATOM 717 CB PHE A 45 4.024 1.620 20.411 1.00 3.54 C ATOM 718 CG PHE A 45 5.212 2.534 20.305 1.00 52.01 C ATOM 719 CD1 PHE A 45 6.163 2.576 21.312 1.00 55.31 C ATOM 720 CD2 PHE A 45 5.377 3.351 19.198 1.00 31.10 C ATOM 721 CE1 PHE A 45 7.257 3.416 21.217 1.00 73.51 C ATOM 722 CE2 PHE A 45 6.469 4.192 19.097 1.00 21.23 C ATOM 723 CZ PHE A 45 7.409 4.225 20.108 1.00 5.15 C ATOM 0 H PHE A 45 4.136 -0.261 18.796 1.00 2.53 H new ATOM 0 HA PHE A 45 5.344 0.206 21.350 1.00 40.54 H new ATOM 0 HB2 PHE A 45 3.512 1.590 19.449 1.00 3.54 H new ATOM 0 HB3 PHE A 45 3.321 2.034 21.134 1.00 3.54 H new ATOM 0 HD1 PHE A 45 6.048 1.945 22.181 1.00 55.31 H new ATOM 0 HD2 PHE A 45 4.644 3.330 18.405 1.00 31.10 H new ATOM 0 HE1 PHE A 45 7.991 3.440 22.009 1.00 73.51 H new ATOM 0 HE2 PHE A 45 6.587 4.823 18.228 1.00 21.23 H new ATOM 0 HZ PHE A 45 8.262 4.883 20.032 1.00 5.15 H new ATOM 733 N GLY A 46 3.541 -0.160 23.074 1.00 63.04 N ATOM 734 CA GLY A 46 2.597 -0.643 24.064 1.00 55.32 C ATOM 735 C GLY A 46 2.938 -2.033 24.561 1.00 31.24 C ATOM 736 O GLY A 46 2.758 -2.341 25.740 1.00 32.41 O ATOM 0 H GLY A 46 4.352 0.326 23.457 1.00 63.04 H new ATOM 0 HA2 GLY A 46 2.576 0.046 24.908 1.00 55.32 H new ATOM 0 HA3 GLY A 46 1.596 -0.650 23.633 1.00 55.32 H new ATOM 740 N THR A 47 3.431 -2.878 23.661 1.00 3.10 N ATOM 741 CA THR A 47 3.796 -4.244 24.014 1.00 72.11 C ATOM 742 C THR A 47 5.305 -4.447 23.940 1.00 32.00 C ATOM 743 O THR A 47 5.812 -5.528 24.243 1.00 54.21 O ATOM 744 CB THR A 47 3.106 -5.266 23.090 1.00 0.04 C ATOM 745 OG1 THR A 47 3.628 -5.156 21.762 1.00 51.35 O ATOM 746 CG2 THR A 47 1.601 -5.047 23.069 1.00 12.35 C ATOM 0 H THR A 47 3.587 -2.640 22.681 1.00 3.10 H new ATOM 0 HA THR A 47 3.460 -4.406 25.038 1.00 72.11 H new ATOM 0 HB THR A 47 3.306 -6.265 23.477 1.00 0.04 H new ATOM 0 HG1 THR A 47 3.186 -5.810 21.181 1.00 51.35 H new ATOM 0 HG21 THR A 47 1.136 -5.780 22.410 1.00 12.35 H new ATOM 0 HG22 THR A 47 1.203 -5.161 24.077 1.00 12.35 H new ATOM 0 HG23 THR A 47 1.385 -4.043 22.705 1.00 12.35 H new ATOM 754 N HIS A 48 6.019 -3.401 23.536 1.00 31.12 N ATOM 755 CA HIS A 48 7.472 -3.465 23.424 1.00 52.30 C ATOM 756 C HIS A 48 7.901 -4.681 22.609 1.00 20.22 C ATOM 757 O HIS A 48 8.962 -5.256 22.848 1.00 23.23 O ATOM 758 CB HIS A 48 8.110 -3.515 24.812 1.00 30.45 C ATOM 759 CG HIS A 48 8.173 -2.182 25.492 1.00 40.04 C ATOM 760 ND1 HIS A 48 8.209 -0.988 24.803 1.00 11.33 N ATOM 761 CD2 HIS A 48 8.205 -1.858 26.806 1.00 72.34 C ATOM 762 CE1 HIS A 48 8.262 0.013 25.664 1.00 32.23 C ATOM 763 NE2 HIS A 48 8.260 -0.489 26.886 1.00 0.43 N ATOM 0 H HIS A 48 5.615 -2.500 23.281 1.00 31.12 H new ATOM 0 HA HIS A 48 7.812 -2.567 22.909 1.00 52.30 H new ATOM 0 HB2 HIS A 48 7.545 -4.206 25.438 1.00 30.45 H new ATOM 0 HB3 HIS A 48 9.119 -3.917 24.724 1.00 30.45 H new ATOM 0 HD2 HIS A 48 8.190 -2.548 27.637 1.00 72.34 H new ATOM 0 HE1 HIS A 48 8.300 1.062 25.412 1.00 32.23 H new ATOM 0 HE2 HIS A 48 8.294 0.053 27.749 1.00 0.43 H new ATOM 771 N GLU A 49 7.068 -5.067 21.647 1.00 23.25 N ATOM 772 CA GLU A 49 7.362 -6.216 20.799 1.00 22.44 C ATOM 773 C GLU A 49 8.006 -5.775 19.488 1.00 13.42 C ATOM 774 O GLU A 49 8.143 -4.580 19.222 1.00 64.13 O ATOM 775 CB GLU A 49 6.084 -7.006 20.512 1.00 73.40 C ATOM 776 CG GLU A 49 5.486 -7.666 21.743 1.00 22.43 C ATOM 777 CD GLU A 49 6.532 -8.346 22.606 1.00 13.55 C ATOM 778 OE1 GLU A 49 7.197 -7.642 23.395 1.00 43.20 O ATOM 779 OE2 GLU A 49 6.685 -9.580 22.494 1.00 54.44 O ATOM 0 H GLU A 49 6.185 -4.601 21.436 1.00 23.25 H new ATOM 0 HA GLU A 49 8.065 -6.857 21.331 1.00 22.44 H new ATOM 0 HB2 GLU A 49 5.344 -6.336 20.074 1.00 73.40 H new ATOM 0 HB3 GLU A 49 6.300 -7.773 19.768 1.00 73.40 H new ATOM 0 HG2 GLU A 49 4.963 -6.915 22.336 1.00 22.43 H new ATOM 0 HG3 GLU A 49 4.743 -8.401 21.432 1.00 22.43 H new ATOM 786 N THR A 50 8.399 -6.747 18.672 1.00 62.14 N ATOM 787 CA THR A 50 9.030 -6.460 17.389 1.00 33.23 C ATOM 788 C THR A 50 8.670 -7.517 16.351 1.00 10.31 C ATOM 789 O THR A 50 8.885 -8.709 16.565 1.00 23.31 O ATOM 790 CB THR A 50 10.563 -6.387 17.521 1.00 73.01 C ATOM 791 OG1 THR A 50 11.168 -6.417 16.223 1.00 13.14 O ATOM 792 CG2 THR A 50 11.090 -7.542 18.358 1.00 34.45 C ATOM 0 H THR A 50 8.292 -7.741 18.876 1.00 62.14 H new ATOM 0 HA THR A 50 8.655 -5.491 17.062 1.00 33.23 H new ATOM 0 HB THR A 50 10.819 -5.452 18.020 1.00 73.01 H new ATOM 0 HG1 THR A 50 12.142 -6.369 16.315 1.00 13.14 H new ATOM 0 HG21 THR A 50 12.175 -7.469 18.437 1.00 34.45 H new ATOM 0 HG22 THR A 50 10.650 -7.500 19.354 1.00 34.45 H new ATOM 0 HG23 THR A 50 10.824 -8.486 17.883 1.00 34.45 H new ATOM 800 N ALA A 51 8.121 -7.071 15.226 1.00 65.15 N ATOM 801 CA ALA A 51 7.735 -7.979 14.153 1.00 55.33 C ATOM 802 C ALA A 51 8.317 -7.530 12.817 1.00 51.42 C ATOM 803 O ALA A 51 8.462 -6.334 12.562 1.00 11.20 O ATOM 804 CB ALA A 51 6.219 -8.075 14.064 1.00 33.31 C ATOM 0 H ALA A 51 7.934 -6.087 15.034 1.00 65.15 H new ATOM 0 HA ALA A 51 8.139 -8.965 14.382 1.00 55.33 H new ATOM 0 HB1 ALA A 51 5.944 -8.756 13.259 1.00 33.31 H new ATOM 0 HB2 ALA A 51 5.822 -8.450 15.008 1.00 33.31 H new ATOM 0 HB3 ALA A 51 5.803 -7.088 13.862 1.00 33.31 H new ATOM 810 N PHE A 52 8.650 -8.496 11.967 1.00 12.41 N ATOM 811 CA PHE A 52 9.218 -8.199 10.657 1.00 24.23 C ATOM 812 C PHE A 52 8.157 -8.308 9.566 1.00 10.35 C ATOM 813 O PHE A 52 7.652 -9.394 9.282 1.00 73.43 O ATOM 814 CB PHE A 52 10.377 -9.151 10.354 1.00 62.04 C ATOM 815 CG PHE A 52 11.640 -8.814 11.094 1.00 51.43 C ATOM 816 CD1 PHE A 52 12.193 -7.546 11.006 1.00 74.23 C ATOM 817 CD2 PHE A 52 12.274 -9.764 11.877 1.00 24.21 C ATOM 818 CE1 PHE A 52 13.354 -7.232 11.686 1.00 62.22 C ATOM 819 CE2 PHE A 52 13.436 -9.456 12.560 1.00 52.12 C ATOM 820 CZ PHE A 52 13.977 -8.189 12.463 1.00 2.10 C ATOM 0 H PHE A 52 8.536 -9.491 12.162 1.00 12.41 H new ATOM 0 HA PHE A 52 9.592 -7.175 10.674 1.00 24.23 H new ATOM 0 HB2 PHE A 52 10.077 -10.168 10.608 1.00 62.04 H new ATOM 0 HB3 PHE A 52 10.578 -9.136 9.283 1.00 62.04 H new ATOM 0 HD1 PHE A 52 11.711 -6.795 10.399 1.00 74.23 H new ATOM 0 HD2 PHE A 52 11.856 -10.757 11.955 1.00 24.21 H new ATOM 0 HE1 PHE A 52 13.774 -6.240 11.610 1.00 62.22 H new ATOM 0 HE2 PHE A 52 13.920 -10.205 13.169 1.00 52.12 H new ATOM 0 HZ PHE A 52 14.886 -7.947 12.994 1.00 2.10 H new ATOM 830 N LEU A 53 7.823 -7.174 8.960 1.00 61.13 N ATOM 831 CA LEU A 53 6.821 -7.140 7.900 1.00 41.01 C ATOM 832 C LEU A 53 7.223 -6.160 6.802 1.00 14.34 C ATOM 833 O LEU A 53 7.713 -5.067 7.081 1.00 4.43 O ATOM 834 CB LEU A 53 5.457 -6.751 8.473 1.00 62.11 C ATOM 835 CG LEU A 53 5.063 -7.428 9.786 1.00 21.01 C ATOM 836 CD1 LEU A 53 3.917 -6.680 10.449 1.00 3.25 C ATOM 837 CD2 LEU A 53 4.684 -8.882 9.544 1.00 50.20 C ATOM 0 H LEU A 53 8.231 -6.266 9.184 1.00 61.13 H new ATOM 0 HA LEU A 53 6.754 -8.137 7.465 1.00 41.01 H new ATOM 0 HB2 LEU A 53 5.444 -5.672 8.626 1.00 62.11 H new ATOM 0 HB3 LEU A 53 4.694 -6.977 7.728 1.00 62.11 H new ATOM 0 HG LEU A 53 5.922 -7.404 10.457 1.00 21.01 H new ATOM 0 HD11 LEU A 53 3.650 -7.176 11.382 1.00 3.25 H new ATOM 0 HD12 LEU A 53 4.224 -5.655 10.658 1.00 3.25 H new ATOM 0 HD13 LEU A 53 3.054 -6.672 9.783 1.00 3.25 H new ATOM 0 HD21 LEU A 53 4.406 -9.348 10.490 1.00 50.20 H new ATOM 0 HD22 LEU A 53 3.840 -8.928 8.855 1.00 50.20 H new ATOM 0 HD23 LEU A 53 5.533 -9.413 9.114 1.00 50.20 H new ATOM 849 N GLY A 54 7.008 -6.558 5.552 1.00 23.51 N ATOM 850 CA GLY A 54 7.352 -5.703 4.431 1.00 15.24 C ATOM 851 C GLY A 54 6.499 -4.451 4.376 1.00 42.53 C ATOM 852 O GLY A 54 5.627 -4.229 5.216 1.00 23.44 O ATOM 0 H GLY A 54 6.602 -7.458 5.296 1.00 23.51 H new ATOM 0 HA2 GLY A 54 8.402 -5.421 4.502 1.00 15.24 H new ATOM 0 HA3 GLY A 54 7.234 -6.261 3.502 1.00 15.24 H new ATOM 856 N PRO A 55 6.750 -3.604 3.366 1.00 12.11 N ATOM 857 CA PRO A 55 6.010 -2.352 3.181 1.00 71.04 C ATOM 858 C PRO A 55 4.566 -2.590 2.752 1.00 31.12 C ATOM 859 O PRO A 55 3.672 -1.811 3.085 1.00 61.43 O ATOM 860 CB PRO A 55 6.787 -1.642 2.069 1.00 2.14 C ATOM 861 CG PRO A 55 7.456 -2.738 1.315 1.00 63.41 C ATOM 862 CD PRO A 55 7.774 -3.804 2.327 1.00 3.34 C ATOM 0 HA PRO A 55 5.941 -1.779 4.106 1.00 71.04 H new ATOM 0 HB2 PRO A 55 6.121 -1.068 1.425 1.00 2.14 H new ATOM 0 HB3 PRO A 55 7.515 -0.942 2.479 1.00 2.14 H new ATOM 0 HG2 PRO A 55 6.805 -3.126 0.531 1.00 63.41 H new ATOM 0 HG3 PRO A 55 8.363 -2.379 0.828 1.00 63.41 H new ATOM 0 HD2 PRO A 55 7.715 -4.802 1.892 1.00 3.34 H new ATOM 0 HD3 PRO A 55 8.781 -3.690 2.728 1.00 3.34 H new ATOM 870 N LYS A 56 4.344 -3.671 2.013 1.00 73.34 N ATOM 871 CA LYS A 56 3.008 -4.014 1.540 1.00 52.05 C ATOM 872 C LYS A 56 2.155 -4.571 2.675 1.00 53.21 C ATOM 873 O LYS A 56 0.956 -4.799 2.509 1.00 3.11 O ATOM 874 CB LYS A 56 3.093 -5.036 0.403 1.00 2.43 C ATOM 875 CG LYS A 56 4.068 -4.645 -0.694 1.00 52.31 C ATOM 876 CD LYS A 56 3.853 -5.471 -1.951 1.00 71.01 C ATOM 877 CE LYS A 56 4.565 -6.812 -1.865 1.00 64.11 C ATOM 878 NZ LYS A 56 3.734 -7.839 -1.177 1.00 43.43 N ATOM 0 H LYS A 56 5.073 -4.325 1.728 1.00 73.34 H new ATOM 0 HA LYS A 56 2.537 -3.104 1.168 1.00 52.05 H new ATOM 0 HB2 LYS A 56 3.390 -6.001 0.814 1.00 2.43 H new ATOM 0 HB3 LYS A 56 2.102 -5.166 -0.032 1.00 2.43 H new ATOM 0 HG2 LYS A 56 3.949 -3.587 -0.928 1.00 52.31 H new ATOM 0 HG3 LYS A 56 5.090 -4.780 -0.339 1.00 52.31 H new ATOM 0 HD2 LYS A 56 2.786 -5.633 -2.103 1.00 71.01 H new ATOM 0 HD3 LYS A 56 4.218 -4.919 -2.817 1.00 71.01 H new ATOM 0 HE2 LYS A 56 4.811 -7.157 -2.869 1.00 64.11 H new ATOM 0 HE3 LYS A 56 5.507 -6.689 -1.330 1.00 64.11 H new ATOM 0 HZ1 LYS A 56 4.249 -8.206 -0.351 1.00 43.43 H new ATOM 0 HZ2 LYS A 56 2.840 -7.410 -0.865 1.00 43.43 H new ATOM 0 HZ3 LYS A 56 3.532 -8.619 -1.834 1.00 43.43 H new ATOM 892 N ASP A 57 2.779 -4.786 3.827 1.00 4.24 N ATOM 893 CA ASP A 57 2.077 -5.313 4.991 1.00 34.32 C ATOM 894 C ASP A 57 1.769 -4.202 5.990 1.00 73.11 C ATOM 895 O ASP A 57 0.813 -4.294 6.761 1.00 72.44 O ATOM 896 CB ASP A 57 2.909 -6.405 5.665 1.00 63.22 C ATOM 897 CG ASP A 57 2.553 -7.793 5.170 1.00 62.22 C ATOM 898 OD1 ASP A 57 3.143 -8.232 4.160 1.00 13.04 O ATOM 899 OD2 ASP A 57 1.684 -8.440 5.791 1.00 23.33 O ATOM 0 H ASP A 57 3.771 -4.603 3.980 1.00 4.24 H new ATOM 0 HA ASP A 57 1.135 -5.743 4.651 1.00 34.32 H new ATOM 0 HB2 ASP A 57 3.967 -6.217 5.481 1.00 63.22 H new ATOM 0 HB3 ASP A 57 2.760 -6.358 6.744 1.00 63.22 H new ATOM 904 N ILE A 58 2.585 -3.154 5.971 1.00 10.21 N ATOM 905 CA ILE A 58 2.399 -2.025 6.875 1.00 64.41 C ATOM 906 C ILE A 58 1.637 -0.894 6.193 1.00 65.32 C ATOM 907 O ILE A 58 1.918 -0.545 5.046 1.00 63.20 O ATOM 908 CB ILE A 58 3.748 -1.486 7.386 1.00 44.42 C ATOM 909 CG1 ILE A 58 4.675 -1.171 6.210 1.00 50.24 C ATOM 910 CG2 ILE A 58 4.399 -2.490 8.326 1.00 51.34 C ATOM 911 CD1 ILE A 58 5.966 -0.497 6.621 1.00 74.44 C ATOM 0 H ILE A 58 3.381 -3.063 5.340 1.00 10.21 H new ATOM 0 HA ILE A 58 1.819 -2.391 7.722 1.00 64.41 H new ATOM 0 HB ILE A 58 3.567 -0.564 7.939 1.00 44.42 H new ATOM 0 HG12 ILE A 58 4.909 -2.097 5.685 1.00 50.24 H new ATOM 0 HG13 ILE A 58 4.148 -0.529 5.504 1.00 50.24 H new ATOM 0 HG21 ILE A 58 5.351 -2.094 8.678 1.00 51.34 H new ATOM 0 HG22 ILE A 58 3.743 -2.669 9.178 1.00 51.34 H new ATOM 0 HG23 ILE A 58 4.569 -3.427 7.796 1.00 51.34 H new ATOM 0 HD11 ILE A 58 6.573 -0.304 5.737 1.00 74.44 H new ATOM 0 HD12 ILE A 58 5.741 0.446 7.120 1.00 74.44 H new ATOM 0 HD13 ILE A 58 6.515 -1.147 7.303 1.00 74.44 H new ATOM 923 N PHE A 59 0.673 -0.323 6.907 1.00 73.54 N ATOM 924 CA PHE A 59 -0.130 0.770 6.371 1.00 60.32 C ATOM 925 C PHE A 59 0.073 2.044 7.185 1.00 23.25 C ATOM 926 O PHE A 59 0.548 2.016 8.321 1.00 20.51 O ATOM 927 CB PHE A 59 -1.611 0.387 6.363 1.00 33.31 C ATOM 928 CG PHE A 59 -2.080 -0.169 5.049 1.00 51.44 C ATOM 929 CD1 PHE A 59 -1.659 -1.417 4.619 1.00 11.12 C ATOM 930 CD2 PHE A 59 -2.942 0.557 4.243 1.00 51.34 C ATOM 931 CE1 PHE A 59 -2.088 -1.930 3.410 1.00 53.22 C ATOM 932 CE2 PHE A 59 -3.375 0.049 3.032 1.00 12.42 C ATOM 933 CZ PHE A 59 -2.948 -1.196 2.616 1.00 74.41 C ATOM 0 H PHE A 59 0.429 -0.599 7.858 1.00 73.54 H new ATOM 0 HA PHE A 59 0.195 0.958 5.348 1.00 60.32 H new ATOM 0 HB2 PHE A 59 -1.791 -0.350 7.145 1.00 33.31 H new ATOM 0 HB3 PHE A 59 -2.207 1.266 6.610 1.00 33.31 H new ATOM 0 HD1 PHE A 59 -0.988 -1.996 5.236 1.00 11.12 H new ATOM 0 HD2 PHE A 59 -3.280 1.531 4.564 1.00 51.34 H new ATOM 0 HE1 PHE A 59 -1.751 -2.904 3.086 1.00 53.22 H new ATOM 0 HE2 PHE A 59 -4.046 0.625 2.413 1.00 12.42 H new ATOM 0 HZ PHE A 59 -3.286 -1.596 1.671 1.00 74.41 H new ATOM 943 N PRO A 60 -0.294 3.190 6.593 1.00 62.55 N ATOM 944 CA PRO A 60 -0.162 4.496 7.244 1.00 25.12 C ATOM 945 C PRO A 60 -1.139 4.668 8.402 1.00 22.31 C ATOM 946 O PRO A 60 -2.333 4.403 8.263 1.00 13.44 O ATOM 947 CB PRO A 60 -0.483 5.486 6.122 1.00 4.21 C ATOM 948 CG PRO A 60 -1.345 4.722 5.178 1.00 50.13 C ATOM 949 CD PRO A 60 -0.867 3.298 5.240 1.00 21.24 C ATOM 0 HA PRO A 60 0.826 4.634 7.683 1.00 25.12 H new ATOM 0 HB2 PRO A 60 -0.999 6.366 6.506 1.00 4.21 H new ATOM 0 HB3 PRO A 60 0.425 5.838 5.633 1.00 4.21 H new ATOM 0 HG2 PRO A 60 -2.395 4.794 5.463 1.00 50.13 H new ATOM 0 HG3 PRO A 60 -1.261 5.118 4.166 1.00 50.13 H new ATOM 0 HD2 PRO A 60 -1.685 2.593 5.092 1.00 21.24 H new ATOM 0 HD3 PRO A 60 -0.123 3.090 4.471 1.00 21.24 H new ATOM 957 N TYR A 61 -0.624 5.112 9.543 1.00 13.22 N ATOM 958 CA TYR A 61 -1.452 5.317 10.726 1.00 3.41 C ATOM 959 C TYR A 61 -2.478 6.421 10.488 1.00 4.34 C ATOM 960 O TYR A 61 -3.436 6.568 11.247 1.00 24.13 O ATOM 961 CB TYR A 61 -0.578 5.669 11.931 1.00 4.00 C ATOM 962 CG TYR A 61 -0.482 7.154 12.197 1.00 41.42 C ATOM 963 CD1 TYR A 61 0.290 7.977 11.385 1.00 33.11 C ATOM 964 CD2 TYR A 61 -1.162 7.735 13.260 1.00 51.31 C ATOM 965 CE1 TYR A 61 0.381 9.334 11.624 1.00 13.54 C ATOM 966 CE2 TYR A 61 -1.078 9.092 13.506 1.00 51.01 C ATOM 967 CZ TYR A 61 -0.305 9.887 12.686 1.00 53.34 C ATOM 968 OH TYR A 61 -0.218 11.239 12.928 1.00 1.01 O ATOM 0 H TYR A 61 0.362 5.337 9.674 1.00 13.22 H new ATOM 0 HA TYR A 61 -1.985 4.388 10.931 1.00 3.41 H new ATOM 0 HB2 TYR A 61 -0.979 5.175 12.816 1.00 4.00 H new ATOM 0 HB3 TYR A 61 0.424 5.272 11.771 1.00 4.00 H new ATOM 0 HD1 TYR A 61 0.828 7.548 10.553 1.00 33.11 H new ATOM 0 HD2 TYR A 61 -1.767 7.115 13.905 1.00 51.31 H new ATOM 0 HE1 TYR A 61 0.986 9.959 10.983 1.00 13.54 H new ATOM 0 HE2 TYR A 61 -1.615 9.528 14.336 1.00 51.01 H new ATOM 0 HH TYR A 61 -0.074 11.714 12.083 1.00 1.01 H new ATOM 978 N SER A 62 -2.269 7.195 9.428 1.00 12.52 N ATOM 979 CA SER A 62 -3.173 8.289 9.090 1.00 31.25 C ATOM 980 C SER A 62 -4.522 7.753 8.620 1.00 62.12 C ATOM 981 O SER A 62 -5.519 8.474 8.612 1.00 61.15 O ATOM 982 CB SER A 62 -2.556 9.172 8.005 1.00 44.32 C ATOM 983 OG SER A 62 -2.965 8.755 6.714 1.00 42.11 O ATOM 0 H SER A 62 -1.482 7.085 8.788 1.00 12.52 H new ATOM 0 HA SER A 62 -3.332 8.887 9.987 1.00 31.25 H new ATOM 0 HB2 SER A 62 -2.850 10.209 8.165 1.00 44.32 H new ATOM 0 HB3 SER A 62 -1.469 9.134 8.075 1.00 44.32 H new ATOM 0 HG SER A 62 -2.558 9.337 6.038 1.00 42.11 H new ATOM 989 N GLU A 63 -4.543 6.483 8.229 1.00 60.53 N ATOM 990 CA GLU A 63 -5.769 5.850 7.756 1.00 63.13 C ATOM 991 C GLU A 63 -6.460 5.092 8.885 1.00 75.20 C ATOM 992 O GLU A 63 -7.683 4.956 8.898 1.00 51.51 O ATOM 993 CB GLU A 63 -5.463 4.896 6.599 1.00 51.32 C ATOM 994 CG GLU A 63 -6.463 4.984 5.458 1.00 64.43 C ATOM 995 CD GLU A 63 -6.170 3.991 4.349 1.00 53.41 C ATOM 996 OE1 GLU A 63 -5.516 2.965 4.627 1.00 4.34 O ATOM 997 OE2 GLU A 63 -6.597 4.242 3.202 1.00 31.41 O ATOM 0 H GLU A 63 -3.726 5.872 8.230 1.00 60.53 H new ATOM 0 HA GLU A 63 -6.440 6.634 7.404 1.00 63.13 H new ATOM 0 HB2 GLU A 63 -4.466 5.112 6.215 1.00 51.32 H new ATOM 0 HB3 GLU A 63 -5.444 3.874 6.977 1.00 51.32 H new ATOM 0 HG2 GLU A 63 -7.467 4.806 5.844 1.00 64.43 H new ATOM 0 HG3 GLU A 63 -6.454 5.994 5.048 1.00 64.43 H new ATOM 1004 N ASN A 64 -5.668 4.599 9.831 1.00 21.12 N ATOM 1005 CA ASN A 64 -6.203 3.853 10.965 1.00 51.24 C ATOM 1006 C ASN A 64 -6.621 4.797 12.088 1.00 32.11 C ATOM 1007 O ASN A 64 -7.642 4.587 12.743 1.00 32.52 O ATOM 1008 CB ASN A 64 -5.165 2.855 11.481 1.00 4.44 C ATOM 1009 CG ASN A 64 -4.735 1.864 10.417 1.00 51.42 C ATOM 1010 OD1 ASN A 64 -5.285 0.768 10.316 1.00 71.32 O ATOM 1011 ND2 ASN A 64 -3.747 2.247 9.616 1.00 11.44 N ATOM 0 H ASN A 64 -4.653 4.702 9.835 1.00 21.12 H new ATOM 0 HA ASN A 64 -7.084 3.307 10.627 1.00 51.24 H new ATOM 0 HB2 ASN A 64 -4.291 3.398 11.842 1.00 4.44 H new ATOM 0 HB3 ASN A 64 -5.578 2.313 12.332 1.00 4.44 H new ATOM 0 HD21 ASN A 64 -3.415 1.623 8.881 1.00 11.44 H new ATOM 0 HD22 ASN A 64 -3.320 3.165 9.736 1.00 11.44 H new ATOM 1018 N LYS A 65 -5.825 5.838 12.305 1.00 13.43 N ATOM 1019 CA LYS A 65 -6.112 6.817 13.348 1.00 71.23 C ATOM 1020 C LYS A 65 -7.496 7.429 13.153 1.00 5.15 C ATOM 1021 O LYS A 65 -8.125 7.877 14.111 1.00 53.00 O ATOM 1022 CB LYS A 65 -5.050 7.919 13.347 1.00 33.14 C ATOM 1023 CG LYS A 65 -5.226 8.933 12.230 1.00 33.23 C ATOM 1024 CD LYS A 65 -4.094 9.946 12.213 1.00 11.14 C ATOM 1025 CE LYS A 65 -3.990 10.688 13.537 1.00 31.33 C ATOM 1026 NZ LYS A 65 -2.984 11.784 13.481 1.00 10.23 N ATOM 0 H LYS A 65 -4.976 6.026 11.773 1.00 13.43 H new ATOM 0 HA LYS A 65 -6.093 6.304 14.309 1.00 71.23 H new ATOM 0 HB2 LYS A 65 -5.076 8.438 14.305 1.00 33.14 H new ATOM 0 HB3 LYS A 65 -4.064 7.462 13.259 1.00 33.14 H new ATOM 0 HG2 LYS A 65 -5.267 8.416 11.271 1.00 33.23 H new ATOM 0 HG3 LYS A 65 -6.177 9.451 12.354 1.00 33.23 H new ATOM 0 HD2 LYS A 65 -3.153 9.438 12.005 1.00 11.14 H new ATOM 0 HD3 LYS A 65 -4.256 10.661 11.406 1.00 11.14 H new ATOM 0 HE2 LYS A 65 -4.964 11.102 13.799 1.00 31.33 H new ATOM 0 HE3 LYS A 65 -3.719 9.987 14.326 1.00 31.33 H new ATOM 0 HZ1 LYS A 65 -2.967 12.287 14.391 1.00 10.23 H new ATOM 0 HZ2 LYS A 65 -2.044 11.383 13.290 1.00 10.23 H new ATOM 0 HZ3 LYS A 65 -3.237 12.449 12.723 1.00 10.23 H new ATOM 1040 N GLU A 66 -7.962 7.443 11.909 1.00 51.33 N ATOM 1041 CA GLU A 66 -9.272 8.000 11.591 1.00 43.31 C ATOM 1042 C GLU A 66 -10.365 6.949 11.758 1.00 12.20 C ATOM 1043 O GLU A 66 -11.546 7.278 11.871 1.00 34.41 O ATOM 1044 CB GLU A 66 -9.286 8.544 10.161 1.00 61.24 C ATOM 1045 CG GLU A 66 -9.097 7.472 9.100 1.00 34.03 C ATOM 1046 CD GLU A 66 -9.583 7.912 7.733 1.00 51.21 C ATOM 1047 OE1 GLU A 66 -8.950 8.811 7.140 1.00 14.45 O ATOM 1048 OE2 GLU A 66 -10.595 7.358 7.256 1.00 53.45 O ATOM 0 H GLU A 66 -7.453 7.076 11.105 1.00 51.33 H new ATOM 0 HA GLU A 66 -9.469 8.817 12.285 1.00 43.31 H new ATOM 0 HB2 GLU A 66 -10.233 9.055 9.985 1.00 61.24 H new ATOM 0 HB3 GLU A 66 -8.497 9.289 10.057 1.00 61.24 H new ATOM 0 HG2 GLU A 66 -8.041 7.209 9.039 1.00 34.03 H new ATOM 0 HG3 GLU A 66 -9.633 6.571 9.399 1.00 34.03 H new ATOM 1055 N LYS A 67 -9.963 5.683 11.772 1.00 31.12 N ATOM 1056 CA LYS A 67 -10.906 4.582 11.926 1.00 33.31 C ATOM 1057 C LYS A 67 -11.392 4.479 13.368 1.00 20.34 C ATOM 1058 O LYS A 67 -12.582 4.631 13.645 1.00 30.32 O ATOM 1059 CB LYS A 67 -10.257 3.263 11.500 1.00 4.21 C ATOM 1060 CG LYS A 67 -10.548 2.879 10.060 1.00 44.23 C ATOM 1061 CD LYS A 67 -11.790 2.011 9.954 1.00 31.11 C ATOM 1062 CE LYS A 67 -13.057 2.821 10.180 1.00 52.42 C ATOM 1063 NZ LYS A 67 -13.192 3.927 9.191 1.00 31.22 N ATOM 0 H LYS A 67 -8.989 5.394 11.678 1.00 31.12 H new ATOM 0 HA LYS A 67 -11.765 4.781 11.285 1.00 33.31 H new ATOM 0 HB2 LYS A 67 -9.178 3.338 11.636 1.00 4.21 H new ATOM 0 HB3 LYS A 67 -10.607 2.467 12.157 1.00 4.21 H new ATOM 0 HG2 LYS A 67 -10.681 3.781 9.462 1.00 44.23 H new ATOM 0 HG3 LYS A 67 -9.693 2.345 9.645 1.00 44.23 H new ATOM 0 HD2 LYS A 67 -11.826 1.544 8.970 1.00 31.11 H new ATOM 0 HD3 LYS A 67 -11.736 1.206 10.687 1.00 31.11 H new ATOM 0 HE2 LYS A 67 -13.925 2.165 10.112 1.00 52.42 H new ATOM 0 HE3 LYS A 67 -13.049 3.235 11.188 1.00 52.42 H new ATOM 0 HZ1 LYS A 67 -13.102 4.841 9.678 1.00 31.22 H new ATOM 0 HZ2 LYS A 67 -12.445 3.843 8.472 1.00 31.22 H new ATOM 0 HZ3 LYS A 67 -14.123 3.870 8.731 1.00 31.22 H new ATOM 1077 N TYR A 68 -10.464 4.221 14.283 1.00 1.32 N ATOM 1078 CA TYR A 68 -10.798 4.097 15.697 1.00 10.40 C ATOM 1079 C TYR A 68 -9.838 4.914 16.557 1.00 15.02 C ATOM 1080 O TYR A 68 -10.175 5.320 17.669 1.00 51.24 O ATOM 1081 CB TYR A 68 -10.760 2.629 16.125 1.00 54.33 C ATOM 1082 CG TYR A 68 -10.928 1.660 14.977 1.00 71.33 C ATOM 1083 CD1 TYR A 68 -12.192 1.280 14.541 1.00 1.23 C ATOM 1084 CD2 TYR A 68 -9.823 1.122 14.328 1.00 12.31 C ATOM 1085 CE1 TYR A 68 -12.350 0.394 13.493 1.00 12.13 C ATOM 1086 CE2 TYR A 68 -9.972 0.237 13.278 1.00 21.24 C ATOM 1087 CZ TYR A 68 -11.237 -0.124 12.865 1.00 72.42 C ATOM 1088 OH TYR A 68 -11.390 -1.007 11.820 1.00 24.44 O ATOM 0 H TYR A 68 -9.474 4.094 14.071 1.00 1.32 H new ATOM 0 HA TYR A 68 -11.807 4.485 15.841 1.00 10.40 H new ATOM 0 HB2 TYR A 68 -9.811 2.429 16.623 1.00 54.33 H new ATOM 0 HB3 TYR A 68 -11.548 2.452 16.857 1.00 54.33 H new ATOM 0 HD1 TYR A 68 -13.066 1.685 15.030 1.00 1.23 H new ATOM 0 HD2 TYR A 68 -8.831 1.401 14.650 1.00 12.31 H new ATOM 0 HE1 TYR A 68 -13.339 0.109 13.167 1.00 12.13 H new ATOM 0 HE2 TYR A 68 -9.102 -0.170 12.783 1.00 21.24 H new ATOM 0 HH TYR A 68 -10.508 -1.277 11.488 1.00 24.44 H new ATOM 1098 N GLY A 69 -8.640 5.151 16.033 1.00 43.40 N ATOM 1099 CA GLY A 69 -7.649 5.919 16.765 1.00 62.33 C ATOM 1100 C GLY A 69 -7.018 5.126 17.892 1.00 34.23 C ATOM 1101 O GLY A 69 -5.982 5.515 18.432 1.00 73.12 O ATOM 0 H GLY A 69 -8.337 4.825 15.115 1.00 43.40 H new ATOM 0 HA2 GLY A 69 -6.871 6.250 16.078 1.00 62.33 H new ATOM 0 HA3 GLY A 69 -8.117 6.815 17.173 1.00 62.33 H new ATOM 1105 N LYS A 70 -7.645 4.011 18.252 1.00 71.33 N ATOM 1106 CA LYS A 70 -7.140 3.160 19.323 1.00 14.11 C ATOM 1107 C LYS A 70 -7.512 1.701 19.080 1.00 32.21 C ATOM 1108 O LYS A 70 -8.420 1.386 18.310 1.00 10.42 O ATOM 1109 CB LYS A 70 -7.696 3.621 20.673 1.00 44.04 C ATOM 1110 CG LYS A 70 -8.912 2.835 21.130 1.00 0.04 C ATOM 1111 CD LYS A 70 -9.641 3.544 22.259 1.00 33.34 C ATOM 1112 CE LYS A 70 -10.944 2.840 22.610 1.00 44.32 C ATOM 1113 NZ LYS A 70 -11.541 3.373 23.866 1.00 71.33 N ATOM 0 H LYS A 70 -8.505 3.675 17.817 1.00 71.33 H new ATOM 0 HA LYS A 70 -6.053 3.242 19.337 1.00 14.11 H new ATOM 0 HB2 LYS A 70 -6.914 3.535 21.427 1.00 44.04 H new ATOM 0 HB3 LYS A 70 -7.960 4.676 20.606 1.00 44.04 H new ATOM 0 HG2 LYS A 70 -9.591 2.693 20.290 1.00 0.04 H new ATOM 0 HG3 LYS A 70 -8.602 1.844 21.461 1.00 0.04 H new ATOM 0 HD2 LYS A 70 -8.999 3.584 23.139 1.00 33.34 H new ATOM 0 HD3 LYS A 70 -9.849 4.574 21.969 1.00 33.34 H new ATOM 0 HE2 LYS A 70 -11.654 2.960 21.791 1.00 44.32 H new ATOM 0 HE3 LYS A 70 -10.761 1.771 22.720 1.00 44.32 H new ATOM 0 HZ1 LYS A 70 -12.427 2.868 24.071 1.00 71.33 H new ATOM 0 HZ2 LYS A 70 -10.875 3.236 24.653 1.00 71.33 H new ATOM 0 HZ3 LYS A 70 -11.739 4.388 23.753 1.00 71.33 H new ATOM 1127 N PRO A 71 -6.796 0.787 19.752 1.00 15.13 N ATOM 1128 CA PRO A 71 -7.035 -0.654 19.627 1.00 0.11 C ATOM 1129 C PRO A 71 -8.356 -1.080 20.259 1.00 24.02 C ATOM 1130 O PRO A 71 -8.779 -0.522 21.270 1.00 11.33 O ATOM 1131 CB PRO A 71 -5.856 -1.275 20.381 1.00 74.34 C ATOM 1132 CG PRO A 71 -5.437 -0.230 21.356 1.00 33.43 C ATOM 1133 CD PRO A 71 -5.700 1.090 20.687 1.00 43.31 C ATOM 0 HA PRO A 71 -7.105 -0.967 18.585 1.00 0.11 H new ATOM 0 HB2 PRO A 71 -6.150 -2.194 20.888 1.00 74.34 H new ATOM 0 HB3 PRO A 71 -5.043 -1.532 19.702 1.00 74.34 H new ATOM 0 HG2 PRO A 71 -6.000 -0.315 22.285 1.00 33.43 H new ATOM 0 HG3 PRO A 71 -4.383 -0.335 21.611 1.00 33.43 H new ATOM 0 HD2 PRO A 71 -5.987 1.856 21.408 1.00 43.31 H new ATOM 0 HD3 PRO A 71 -4.817 1.459 20.165 1.00 43.31 H new ATOM 1141 N ASN A 72 -9.002 -2.073 19.657 1.00 64.04 N ATOM 1142 CA ASN A 72 -10.275 -2.574 20.161 1.00 1.13 C ATOM 1143 C ASN A 72 -10.069 -3.820 21.017 1.00 64.22 C ATOM 1144 O ASN A 72 -10.453 -3.855 22.186 1.00 23.10 O ATOM 1145 CB ASN A 72 -11.219 -2.890 18.999 1.00 11.35 C ATOM 1146 CG ASN A 72 -12.679 -2.792 19.398 1.00 50.31 C ATOM 1147 OD1 ASN A 72 -13.164 -1.721 19.764 1.00 5.21 O ATOM 1148 ND2 ASN A 72 -13.388 -3.913 19.328 1.00 3.44 N ATOM 0 H ASN A 72 -8.665 -2.547 18.819 1.00 64.04 H new ATOM 0 HA ASN A 72 -10.722 -1.798 20.782 1.00 1.13 H new ATOM 0 HB2 ASN A 72 -11.023 -2.201 18.177 1.00 11.35 H new ATOM 0 HB3 ASN A 72 -11.013 -3.894 18.629 1.00 11.35 H new ATOM 0 HD21 ASN A 72 -14.376 -3.909 19.583 1.00 3.44 H new ATOM 0 HD22 ASN A 72 -12.945 -4.778 19.019 1.00 3.44 H new ATOM 1155 N LYS A 73 -9.459 -4.842 20.426 1.00 61.30 N ATOM 1156 CA LYS A 73 -9.199 -6.091 21.133 1.00 43.14 C ATOM 1157 C LYS A 73 -7.703 -6.384 21.187 1.00 3.31 C ATOM 1158 O LYS A 73 -7.287 -7.542 21.176 1.00 22.44 O ATOM 1159 CB LYS A 73 -9.931 -7.249 20.451 1.00 13.21 C ATOM 1160 CG LYS A 73 -10.291 -8.382 21.397 1.00 43.23 C ATOM 1161 CD LYS A 73 -11.146 -9.433 20.708 1.00 5.33 C ATOM 1162 CE LYS A 73 -11.856 -10.321 21.718 1.00 73.45 C ATOM 1163 NZ LYS A 73 -12.362 -11.575 21.093 1.00 20.21 N ATOM 0 H LYS A 73 -9.135 -4.830 19.459 1.00 61.30 H new ATOM 0 HA LYS A 73 -9.568 -5.986 22.153 1.00 43.14 H new ATOM 0 HB2 LYS A 73 -10.842 -6.870 19.988 1.00 13.21 H new ATOM 0 HB3 LYS A 73 -9.306 -7.641 19.649 1.00 13.21 H new ATOM 0 HG2 LYS A 73 -9.380 -8.844 21.776 1.00 43.23 H new ATOM 0 HG3 LYS A 73 -10.827 -7.982 22.258 1.00 43.23 H new ATOM 0 HD2 LYS A 73 -11.882 -8.944 20.070 1.00 5.33 H new ATOM 0 HD3 LYS A 73 -10.520 -10.046 20.060 1.00 5.33 H new ATOM 0 HE2 LYS A 73 -11.171 -10.570 22.528 1.00 73.45 H new ATOM 0 HE3 LYS A 73 -12.688 -9.774 22.161 1.00 73.45 H new ATOM 0 HZ1 LYS A 73 -12.840 -12.154 21.813 1.00 20.21 H new ATOM 0 HZ2 LYS A 73 -13.035 -11.339 20.336 1.00 20.21 H new ATOM 0 HZ3 LYS A 73 -11.565 -12.109 20.692 1.00 20.21 H new ATOM 1177 N ARG A 74 -6.899 -5.327 21.247 1.00 53.21 N ATOM 1178 CA ARG A 74 -5.450 -5.471 21.304 1.00 64.35 C ATOM 1179 C ARG A 74 -4.899 -4.920 22.615 1.00 11.15 C ATOM 1180 O ARG A 74 -5.153 -3.769 22.973 1.00 23.43 O ATOM 1181 CB ARG A 74 -4.797 -4.751 20.122 1.00 75.33 C ATOM 1182 CG ARG A 74 -5.074 -5.409 18.780 1.00 60.42 C ATOM 1183 CD ARG A 74 -4.556 -6.839 18.743 1.00 10.31 C ATOM 1184 NE ARG A 74 -5.628 -7.814 18.919 1.00 35.25 N ATOM 1185 CZ ARG A 74 -5.420 -9.083 19.255 1.00 13.40 C ATOM 1186 NH1 ARG A 74 -4.186 -9.526 19.450 1.00 72.31 N ATOM 1187 NH2 ARG A 74 -6.448 -9.910 19.397 1.00 51.22 N ATOM 0 H ARG A 74 -7.227 -4.361 21.257 1.00 53.21 H new ATOM 0 HA ARG A 74 -5.214 -6.534 21.249 1.00 64.35 H new ATOM 0 HB2 ARG A 74 -5.153 -3.721 20.093 1.00 75.33 H new ATOM 0 HB3 ARG A 74 -3.720 -4.711 20.282 1.00 75.33 H new ATOM 0 HG2 ARG A 74 -6.147 -5.404 18.586 1.00 60.42 H new ATOM 0 HG3 ARG A 74 -4.604 -4.830 17.985 1.00 60.42 H new ATOM 0 HD2 ARG A 74 -4.055 -7.019 17.792 1.00 10.31 H new ATOM 0 HD3 ARG A 74 -3.810 -6.975 19.526 1.00 10.31 H new ATOM 0 HE ARG A 74 -6.589 -7.504 18.776 1.00 35.25 H new ATOM 0 HH11 ARG A 74 -3.394 -8.893 19.342 1.00 72.31 H new ATOM 0 HH12 ARG A 74 -4.029 -10.500 19.708 1.00 72.31 H new ATOM 0 HH21 ARG A 74 -7.399 -9.572 19.248 1.00 51.22 H new ATOM 0 HH22 ARG A 74 -6.287 -10.884 19.655 1.00 51.22 H new ATOM 1201 N LYS A 75 -4.145 -5.749 23.329 1.00 4.42 N ATOM 1202 CA LYS A 75 -3.557 -5.345 24.601 1.00 21.42 C ATOM 1203 C LYS A 75 -2.596 -4.177 24.410 1.00 4.43 C ATOM 1204 O LYS A 75 -1.867 -4.115 23.421 1.00 25.13 O ATOM 1205 CB LYS A 75 -2.822 -6.524 25.243 1.00 30.24 C ATOM 1206 CG LYS A 75 -2.427 -6.280 26.690 1.00 75.03 C ATOM 1207 CD LYS A 75 -2.258 -7.585 27.450 1.00 53.05 C ATOM 1208 CE LYS A 75 -2.260 -7.358 28.954 1.00 63.44 C ATOM 1209 NZ LYS A 75 -3.636 -7.143 29.481 1.00 43.43 N ATOM 0 H LYS A 75 -3.927 -6.705 23.048 1.00 4.42 H new ATOM 0 HA LYS A 75 -4.364 -5.024 25.260 1.00 21.42 H new ATOM 0 HB2 LYS A 75 -3.457 -7.408 25.193 1.00 30.24 H new ATOM 0 HB3 LYS A 75 -1.926 -6.742 24.662 1.00 30.24 H new ATOM 0 HG2 LYS A 75 -1.495 -5.715 26.723 1.00 75.03 H new ATOM 0 HG3 LYS A 75 -3.187 -5.670 27.178 1.00 75.03 H new ATOM 0 HD2 LYS A 75 -3.063 -8.270 27.183 1.00 53.05 H new ATOM 0 HD3 LYS A 75 -1.323 -8.061 27.154 1.00 53.05 H new ATOM 0 HE2 LYS A 75 -1.811 -8.218 29.452 1.00 63.44 H new ATOM 0 HE3 LYS A 75 -1.641 -6.493 29.191 1.00 63.44 H new ATOM 0 HZ1 LYS A 75 -3.604 -7.077 30.518 1.00 43.43 H new ATOM 0 HZ2 LYS A 75 -4.024 -6.261 29.089 1.00 43.43 H new ATOM 0 HZ3 LYS A 75 -4.243 -7.941 29.204 1.00 43.43 H new ATOM 1223 N GLY A 76 -2.599 -3.251 25.365 1.00 21.21 N ATOM 1224 CA GLY A 76 -1.722 -2.098 25.283 1.00 0.23 C ATOM 1225 C GLY A 76 -2.484 -0.804 25.075 1.00 43.13 C ATOM 1226 O GLY A 76 -1.888 0.271 25.000 1.00 64.35 O ATOM 0 H GLY A 76 -3.193 -3.279 26.194 1.00 21.21 H new ATOM 0 HA2 GLY A 76 -1.134 -2.027 26.198 1.00 0.23 H new ATOM 0 HA3 GLY A 76 -1.019 -2.238 24.462 1.00 0.23 H new ATOM 1230 N PHE A 77 -3.805 -0.906 24.979 1.00 32.02 N ATOM 1231 CA PHE A 77 -4.650 0.265 24.775 1.00 43.20 C ATOM 1232 C PHE A 77 -4.368 1.330 25.831 1.00 25.10 C ATOM 1233 O PHE A 77 -4.313 1.036 27.024 1.00 12.34 O ATOM 1234 CB PHE A 77 -6.127 -0.131 24.816 1.00 21.44 C ATOM 1235 CG PHE A 77 -6.594 -0.561 26.177 1.00 32.45 C ATOM 1236 CD1 PHE A 77 -6.499 -1.887 26.570 1.00 3.35 C ATOM 1237 CD2 PHE A 77 -7.128 0.360 27.064 1.00 35.51 C ATOM 1238 CE1 PHE A 77 -6.929 -2.285 27.822 1.00 22.11 C ATOM 1239 CE2 PHE A 77 -7.560 -0.033 28.317 1.00 1.13 C ATOM 1240 CZ PHE A 77 -7.459 -1.357 28.697 1.00 42.10 C ATOM 0 H PHE A 77 -4.314 -1.788 25.039 1.00 32.02 H new ATOM 0 HA PHE A 77 -4.420 0.681 23.794 1.00 43.20 H new ATOM 0 HB2 PHE A 77 -6.731 0.713 24.483 1.00 21.44 H new ATOM 0 HB3 PHE A 77 -6.297 -0.943 24.109 1.00 21.44 H new ATOM 0 HD1 PHE A 77 -6.085 -2.617 25.891 1.00 3.35 H new ATOM 0 HD2 PHE A 77 -7.208 1.397 26.773 1.00 35.51 H new ATOM 0 HE1 PHE A 77 -6.851 -3.321 28.116 1.00 22.11 H new ATOM 0 HE2 PHE A 77 -7.976 0.695 28.998 1.00 1.13 H new ATOM 0 HZ PHE A 77 -7.794 -1.666 29.676 1.00 42.10 H new ATOM 1250 N ASN A 78 -4.188 2.568 25.381 1.00 32.34 N ATOM 1251 CA ASN A 78 -3.910 3.677 26.287 1.00 73.13 C ATOM 1252 C ASN A 78 -2.553 3.502 26.961 1.00 62.12 C ATOM 1253 O ASN A 78 -2.285 4.099 28.003 1.00 34.20 O ATOM 1254 CB ASN A 78 -5.008 3.785 27.347 1.00 74.24 C ATOM 1255 CG ASN A 78 -5.830 5.051 27.201 1.00 2.33 C ATOM 1256 OD1 ASN A 78 -7.046 4.998 27.020 1.00 52.15 O ATOM 1257 ND2 ASN A 78 -5.166 6.199 27.281 1.00 73.11 N ATOM 0 H ASN A 78 -4.230 2.828 24.396 1.00 32.34 H new ATOM 0 HA ASN A 78 -3.889 4.596 25.700 1.00 73.13 H new ATOM 0 HB2 ASN A 78 -5.665 2.918 27.275 1.00 74.24 H new ATOM 0 HB3 ASN A 78 -4.556 3.761 28.338 1.00 74.24 H new ATOM 0 HD21 ASN A 78 -5.665 7.084 27.191 1.00 73.11 H new ATOM 0 HD22 ASN A 78 -4.157 6.195 27.432 1.00 73.11 H new ATOM 1264 N GLU A 79 -1.700 2.680 26.357 1.00 30.23 N ATOM 1265 CA GLU A 79 -0.370 2.427 26.900 1.00 75.42 C ATOM 1266 C GLU A 79 0.710 2.803 25.890 1.00 10.32 C ATOM 1267 O GLU A 79 1.514 1.966 25.484 1.00 61.25 O ATOM 1268 CB GLU A 79 -0.227 0.954 27.291 1.00 10.44 C ATOM 1269 CG GLU A 79 -1.425 0.407 28.049 1.00 61.52 C ATOM 1270 CD GLU A 79 -1.944 1.372 29.097 1.00 62.13 C ATOM 1271 OE1 GLU A 79 -1.121 2.101 29.690 1.00 54.35 O ATOM 1272 OE2 GLU A 79 -3.171 1.398 29.324 1.00 13.01 O ATOM 0 H GLU A 79 -1.906 2.179 25.493 1.00 30.23 H new ATOM 0 HA GLU A 79 -0.244 3.046 27.788 1.00 75.42 H new ATOM 0 HB2 GLU A 79 -0.076 0.360 26.389 1.00 10.44 H new ATOM 0 HB3 GLU A 79 0.666 0.835 27.904 1.00 10.44 H new ATOM 0 HG2 GLU A 79 -2.224 0.180 27.343 1.00 61.52 H new ATOM 0 HG3 GLU A 79 -1.148 -0.531 28.530 1.00 61.52 H new ATOM 1279 N GLY A 80 0.721 4.071 25.489 1.00 1.13 N ATOM 1280 CA GLY A 80 1.706 4.537 24.530 1.00 14.23 C ATOM 1281 C GLY A 80 1.077 4.993 23.229 1.00 75.24 C ATOM 1282 O GLY A 80 1.775 5.424 22.310 1.00 21.31 O ATOM 0 H GLY A 80 0.066 4.783 25.811 1.00 1.13 H new ATOM 0 HA2 GLY A 80 2.271 5.361 24.965 1.00 14.23 H new ATOM 0 HA3 GLY A 80 2.417 3.736 24.325 1.00 14.23 H new ATOM 1286 N LEU A 81 -0.246 4.897 23.147 1.00 21.40 N ATOM 1287 CA LEU A 81 -0.970 5.301 21.947 1.00 62.12 C ATOM 1288 C LEU A 81 -0.871 6.808 21.733 1.00 14.02 C ATOM 1289 O LEU A 81 -0.867 7.285 20.598 1.00 24.14 O ATOM 1290 CB LEU A 81 -2.438 4.883 22.048 1.00 40.50 C ATOM 1291 CG LEU A 81 -3.355 5.377 20.928 1.00 1.24 C ATOM 1292 CD1 LEU A 81 -3.563 4.287 19.889 1.00 33.31 C ATOM 1293 CD2 LEU A 81 -4.690 5.838 21.496 1.00 24.41 C ATOM 0 H LEU A 81 -0.839 4.543 23.898 1.00 21.40 H new ATOM 0 HA LEU A 81 -0.515 4.801 21.092 1.00 62.12 H new ATOM 0 HB2 LEU A 81 -2.484 3.794 22.074 1.00 40.50 H new ATOM 0 HB3 LEU A 81 -2.833 5.242 22.999 1.00 40.50 H new ATOM 0 HG LEU A 81 -2.877 6.227 20.441 1.00 1.24 H new ATOM 0 HD11 LEU A 81 -4.218 4.657 19.100 1.00 33.31 H new ATOM 0 HD12 LEU A 81 -2.601 4.005 19.460 1.00 33.31 H new ATOM 0 HD13 LEU A 81 -4.019 3.417 20.361 1.00 33.31 H new ATOM 0 HD21 LEU A 81 -5.330 6.186 20.685 1.00 24.41 H new ATOM 0 HD22 LEU A 81 -5.174 5.007 22.009 1.00 24.41 H new ATOM 0 HD23 LEU A 81 -4.524 6.652 22.202 1.00 24.41 H new ATOM 1305 N TRP A 82 -0.791 7.551 22.831 1.00 51.53 N ATOM 1306 CA TRP A 82 -0.690 9.005 22.763 1.00 13.02 C ATOM 1307 C TRP A 82 0.727 9.436 22.404 1.00 4.33 C ATOM 1308 O TRP A 82 0.960 10.587 22.037 1.00 45.21 O ATOM 1309 CB TRP A 82 -1.104 9.628 24.098 1.00 63.14 C ATOM 1310 CG TRP A 82 -0.832 11.100 24.176 1.00 71.24 C ATOM 1311 CD1 TRP A 82 -1.682 12.110 23.826 1.00 34.23 C ATOM 1312 CD2 TRP A 82 0.373 11.726 24.630 1.00 73.02 C ATOM 1313 NE1 TRP A 82 -1.079 13.326 24.036 1.00 43.20 N ATOM 1314 CE2 TRP A 82 0.182 13.118 24.529 1.00 0.14 C ATOM 1315 CE3 TRP A 82 1.593 11.247 25.114 1.00 71.45 C ATOM 1316 CZ2 TRP A 82 1.167 14.032 24.894 1.00 40.12 C ATOM 1317 CZ3 TRP A 82 2.570 12.155 25.474 1.00 15.15 C ATOM 1318 CH2 TRP A 82 2.352 13.535 25.364 1.00 60.10 C ATOM 0 H TRP A 82 -0.794 7.172 23.778 1.00 51.53 H new ATOM 0 HA TRP A 82 -1.364 9.355 21.982 1.00 13.02 H new ATOM 0 HB2 TRP A 82 -2.168 9.453 24.258 1.00 63.14 H new ATOM 0 HB3 TRP A 82 -0.573 9.124 24.906 1.00 63.14 H new ATOM 0 HD1 TRP A 82 -2.682 11.973 23.441 1.00 34.23 H new ATOM 0 HE1 TRP A 82 -1.502 14.236 23.854 1.00 43.20 H new ATOM 0 HE3 TRP A 82 1.769 10.185 25.205 1.00 71.45 H new ATOM 0 HZ2 TRP A 82 1.001 15.096 24.809 1.00 40.12 H new ATOM 0 HZ3 TRP A 82 3.518 11.795 25.846 1.00 15.15 H new ATOM 0 HH2 TRP A 82 3.135 14.220 25.656 1.00 60.10 H new ATOM 1329 N GLU A 83 1.670 8.505 22.513 1.00 2.42 N ATOM 1330 CA GLU A 83 3.065 8.792 22.200 1.00 22.31 C ATOM 1331 C GLU A 83 3.304 8.752 20.693 1.00 30.44 C ATOM 1332 O GLU A 83 4.198 9.423 20.178 1.00 3.11 O ATOM 1333 CB GLU A 83 3.984 7.789 22.900 1.00 25.41 C ATOM 1334 CG GLU A 83 4.239 8.114 24.362 1.00 31.34 C ATOM 1335 CD GLU A 83 4.726 6.913 25.151 1.00 55.32 C ATOM 1336 OE1 GLU A 83 4.510 5.773 24.688 1.00 12.52 O ATOM 1337 OE2 GLU A 83 5.321 7.113 26.230 1.00 44.33 O ATOM 0 H GLU A 83 1.493 7.547 22.815 1.00 2.42 H new ATOM 0 HA GLU A 83 3.293 9.795 22.560 1.00 22.31 H new ATOM 0 HB2 GLU A 83 3.543 6.795 22.829 1.00 25.41 H new ATOM 0 HB3 GLU A 83 4.937 7.753 22.373 1.00 25.41 H new ATOM 0 HG2 GLU A 83 4.978 8.912 24.429 1.00 31.34 H new ATOM 0 HG3 GLU A 83 3.321 8.491 24.812 1.00 31.34 H new ATOM 1344 N ILE A 84 2.499 7.960 19.994 1.00 74.52 N ATOM 1345 CA ILE A 84 2.622 7.832 18.547 1.00 74.10 C ATOM 1346 C ILE A 84 2.353 9.163 17.853 1.00 71.11 C ATOM 1347 O ILE A 84 2.755 9.370 16.708 1.00 64.00 O ATOM 1348 CB ILE A 84 1.653 6.771 17.991 1.00 2.20 C ATOM 1349 CG1 ILE A 84 2.090 6.334 16.591 1.00 11.13 C ATOM 1350 CG2 ILE A 84 0.232 7.314 17.963 1.00 2.11 C ATOM 1351 CD1 ILE A 84 1.190 5.285 15.978 1.00 74.24 C ATOM 0 H ILE A 84 1.755 7.397 20.406 1.00 74.52 H new ATOM 0 HA ILE A 84 3.646 7.519 18.344 1.00 74.10 H new ATOM 0 HB ILE A 84 1.675 5.900 18.647 1.00 2.20 H new ATOM 0 HG12 ILE A 84 2.115 7.206 15.938 1.00 11.13 H new ATOM 0 HG13 ILE A 84 3.107 5.944 16.641 1.00 11.13 H new ATOM 0 HG21 ILE A 84 -0.441 6.553 17.568 1.00 2.11 H new ATOM 0 HG22 ILE A 84 -0.076 7.580 18.974 1.00 2.11 H new ATOM 0 HG23 ILE A 84 0.193 8.198 17.327 1.00 2.11 H new ATOM 0 HD11 ILE A 84 1.560 5.023 14.987 1.00 74.24 H new ATOM 0 HD12 ILE A 84 1.184 4.397 16.610 1.00 74.24 H new ATOM 0 HD13 ILE A 84 0.177 5.678 15.895 1.00 74.24 H new ATOM 1363 N ASP A 85 1.672 10.062 18.554 1.00 10.41 N ATOM 1364 CA ASP A 85 1.352 11.376 18.007 1.00 72.32 C ATOM 1365 C ASP A 85 2.056 12.478 18.792 1.00 61.03 C ATOM 1366 O ASP A 85 1.823 13.664 18.561 1.00 34.42 O ATOM 1367 CB ASP A 85 -0.160 11.605 18.026 1.00 13.03 C ATOM 1368 CG ASP A 85 -0.608 12.602 16.975 1.00 33.34 C ATOM 1369 OD1 ASP A 85 0.132 12.797 15.989 1.00 23.43 O ATOM 1370 OD2 ASP A 85 -1.699 13.187 17.140 1.00 52.55 O ATOM 0 H ASP A 85 1.331 9.905 19.502 1.00 10.41 H new ATOM 0 HA ASP A 85 1.704 11.409 16.976 1.00 72.32 H new ATOM 0 HB2 ASP A 85 -0.670 10.656 17.863 1.00 13.03 H new ATOM 0 HB3 ASP A 85 -0.458 11.962 19.012 1.00 13.03 H new ATOM 1375 N ASN A 86 2.918 12.078 19.721 1.00 62.43 N ATOM 1376 CA ASN A 86 3.655 13.032 20.541 1.00 25.42 C ATOM 1377 C ASN A 86 5.112 12.605 20.695 1.00 2.11 C ATOM 1378 O ASN A 86 6.016 13.244 20.159 1.00 64.01 O ATOM 1379 CB ASN A 86 3.003 13.163 21.919 1.00 74.23 C ATOM 1380 CG ASN A 86 1.690 13.921 21.867 1.00 43.14 C ATOM 1381 OD1 ASN A 86 1.626 15.098 22.223 1.00 70.15 O ATOM 1382 ND2 ASN A 86 0.636 13.248 21.422 1.00 55.14 N ATOM 0 H ASN A 86 3.123 11.100 19.925 1.00 62.43 H new ATOM 0 HA ASN A 86 3.629 14.000 20.040 1.00 25.42 H new ATOM 0 HB2 ASN A 86 2.830 12.169 22.332 1.00 74.23 H new ATOM 0 HB3 ASN A 86 3.688 13.674 22.595 1.00 74.23 H new ATOM 0 HD21 ASN A 86 -0.274 13.705 21.364 1.00 55.14 H new ATOM 0 HD22 ASN A 86 0.736 12.274 21.138 1.00 55.14 H new ATOM 1389 N ASN A 87 5.331 11.520 21.431 1.00 12.21 N ATOM 1390 CA ASN A 87 6.678 11.008 21.656 1.00 74.32 C ATOM 1391 C ASN A 87 6.864 9.653 20.979 1.00 20.13 C ATOM 1392 O ASN A 87 6.912 8.608 21.629 1.00 41.21 O ATOM 1393 CB ASN A 87 6.955 10.884 23.155 1.00 21.14 C ATOM 1394 CG ASN A 87 8.375 10.437 23.446 1.00 52.03 C ATOM 1395 OD1 ASN A 87 9.211 10.366 22.545 1.00 24.23 O ATOM 1396 ND2 ASN A 87 8.653 10.133 24.708 1.00 12.12 N ATOM 0 H ASN A 87 4.593 10.979 21.882 1.00 12.21 H new ATOM 0 HA ASN A 87 7.386 11.713 21.220 1.00 74.32 H new ATOM 0 HB2 ASN A 87 6.774 11.845 23.636 1.00 21.14 H new ATOM 0 HB3 ASN A 87 6.256 10.172 23.593 1.00 21.14 H new ATOM 0 HD21 ASN A 87 9.591 9.826 24.964 1.00 12.12 H new ATOM 0 HD22 ASN A 87 7.928 10.207 25.422 1.00 12.12 H new ATOM 1403 N PRO A 88 6.972 9.669 19.642 1.00 2.15 N ATOM 1404 CA PRO A 88 7.156 8.451 18.848 1.00 24.34 C ATOM 1405 C PRO A 88 8.534 7.830 19.050 1.00 24.24 C ATOM 1406 O PRO A 88 8.805 6.726 18.578 1.00 72.42 O ATOM 1407 CB PRO A 88 6.996 8.939 17.407 1.00 42.33 C ATOM 1408 CG PRO A 88 7.362 10.383 17.453 1.00 65.41 C ATOM 1409 CD PRO A 88 6.924 10.878 18.803 1.00 12.12 C ATOM 0 HA PRO A 88 6.449 7.671 19.129 1.00 24.34 H new ATOM 0 HB2 PRO A 88 7.646 8.387 16.728 1.00 42.33 H new ATOM 0 HB3 PRO A 88 5.974 8.801 17.053 1.00 42.33 H new ATOM 0 HG2 PRO A 88 8.435 10.518 17.317 1.00 65.41 H new ATOM 0 HG3 PRO A 88 6.867 10.937 16.655 1.00 65.41 H new ATOM 0 HD2 PRO A 88 7.588 11.656 19.181 1.00 12.12 H new ATOM 0 HD3 PRO A 88 5.921 11.304 18.769 1.00 12.12 H new ATOM 1417 N LYS A 89 9.403 8.546 19.756 1.00 62.01 N ATOM 1418 CA LYS A 89 10.754 8.065 20.023 1.00 54.33 C ATOM 1419 C LYS A 89 10.948 7.787 21.510 1.00 62.23 C ATOM 1420 O LYS A 89 12.043 7.960 22.046 1.00 72.10 O ATOM 1421 CB LYS A 89 11.785 9.090 19.546 1.00 64.14 C ATOM 1422 CG LYS A 89 12.034 9.050 18.048 1.00 41.43 C ATOM 1423 CD LYS A 89 10.948 9.788 17.282 1.00 22.05 C ATOM 1424 CE LYS A 89 11.337 9.999 15.827 1.00 1.03 C ATOM 1425 NZ LYS A 89 12.419 11.012 15.684 1.00 64.34 N ATOM 0 H LYS A 89 9.196 9.462 20.154 1.00 62.01 H new ATOM 0 HA LYS A 89 10.897 7.133 19.476 1.00 54.33 H new ATOM 0 HB2 LYS A 89 11.447 10.089 19.823 1.00 64.14 H new ATOM 0 HB3 LYS A 89 12.726 8.916 20.067 1.00 64.14 H new ATOM 0 HG2 LYS A 89 13.004 9.497 17.827 1.00 41.43 H new ATOM 0 HG3 LYS A 89 12.077 8.014 17.713 1.00 41.43 H new ATOM 0 HD2 LYS A 89 10.017 9.223 17.333 1.00 22.05 H new ATOM 0 HD3 LYS A 89 10.761 10.753 17.753 1.00 22.05 H new ATOM 0 HE2 LYS A 89 11.666 9.053 15.398 1.00 1.03 H new ATOM 0 HE3 LYS A 89 10.463 10.319 15.260 1.00 1.03 H new ATOM 0 HZ1 LYS A 89 12.493 11.302 14.688 1.00 64.34 H new ATOM 0 HZ2 LYS A 89 12.198 11.842 16.271 1.00 64.34 H new ATOM 0 HZ3 LYS A 89 13.323 10.601 15.993 1.00 64.34 H new ATOM 1439 N VAL A 90 9.880 7.353 22.171 1.00 54.22 N ATOM 1440 CA VAL A 90 9.934 7.048 23.595 1.00 13.15 C ATOM 1441 C VAL A 90 10.823 5.840 23.865 1.00 30.53 C ATOM 1442 O VAL A 90 11.343 5.671 24.969 1.00 74.34 O ATOM 1443 CB VAL A 90 8.529 6.775 24.165 1.00 52.31 C ATOM 1444 CG1 VAL A 90 7.912 5.553 23.502 1.00 52.32 C ATOM 1445 CG2 VAL A 90 8.591 6.598 25.674 1.00 4.45 C ATOM 0 H VAL A 90 8.966 7.205 21.743 1.00 54.22 H new ATOM 0 HA VAL A 90 10.355 7.923 24.090 1.00 13.15 H new ATOM 0 HB VAL A 90 7.895 7.635 23.949 1.00 52.31 H new ATOM 0 HG11 VAL A 90 6.920 5.376 23.917 1.00 52.32 H new ATOM 0 HG12 VAL A 90 7.831 5.724 22.428 1.00 52.32 H new ATOM 0 HG13 VAL A 90 8.543 4.683 23.684 1.00 52.32 H new ATOM 0 HG21 VAL A 90 7.590 6.406 26.059 1.00 4.45 H new ATOM 0 HG22 VAL A 90 9.240 5.756 25.915 1.00 4.45 H new ATOM 0 HG23 VAL A 90 8.988 7.505 26.131 1.00 4.45 H new