USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 971 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 91 ASN : amide:sc= 0.494 K(o=1.8,f=-5.9!) USER MOD Set 1.2: A 92 SER OG : rot -87:sc= 1.26 USER MOD Set 2.1: A 67 MET CE :methyl -171:sc= -1.87 (180deg=-2.15) USER MOD Set 2.2: A 86 THR OG1 : rot -90:sc= 0 USER MOD Set 3.1: A 57 ASN : amide:sc= -0.812 K(o=-1.5,f=-0.43) USER MOD Set 3.2: A 62 ASN : amide:sc= -0.689 K(o=-1.5,f=-0.43) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0831 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.15 K(o=-1.2,f=-9e-05) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 33 THR OG1 : rot -30:sc= 0.195 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 36 CYS SG : rot 30:sc= 0.186 USER MOD Single : A 39 CYS SG : rot 180:sc= 0.555 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000536) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -179:sc= 0 (180deg=-0.00754) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0326) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.04) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.735 3.904 14.977 1.00 0.00 N ATOM 2 CA ALA A 1 9.414 3.631 13.692 1.00 0.00 C ATOM 3 C ALA A 1 10.749 4.359 13.640 1.00 0.00 C ATOM 4 O ALA A 1 10.943 5.362 14.327 1.00 0.00 O ATOM 5 CB ALA A 1 8.535 4.046 12.522 1.00 0.00 C ATOM 0 H1 ALA A 1 8.718 3.037 15.552 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.248 4.649 15.490 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.760 4.218 14.795 1.00 0.00 H new ATOM 0 HA ALA A 1 9.597 2.559 13.617 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.053 3.837 11.586 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.600 3.486 12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.321 5.113 12.588 1.00 0.00 H new ATOM 11 N GLN A 2 11.668 3.856 12.827 1.00 0.00 N ATOM 12 CA GLN A 2 12.994 4.446 12.723 1.00 0.00 C ATOM 13 C GLN A 2 13.529 4.298 11.302 1.00 0.00 C ATOM 14 O GLN A 2 13.339 5.176 10.463 1.00 0.00 O ATOM 15 CB GLN A 2 13.936 3.777 13.730 1.00 0.00 C ATOM 16 CG GLN A 2 15.340 4.363 13.774 1.00 0.00 C ATOM 17 CD GLN A 2 16.219 3.666 14.796 1.00 0.00 C ATOM 18 OE1 GLN A 2 17.434 3.560 14.619 1.00 0.00 O ATOM 19 NE2 GLN A 2 15.615 3.188 15.872 1.00 0.00 N ATOM 0 H GLN A 2 11.519 3.042 12.231 1.00 0.00 H new ATOM 0 HA GLN A 2 12.933 5.510 12.953 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.495 3.851 14.724 1.00 0.00 H new ATOM 0 HB3 GLN A 2 14.007 2.716 13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.797 4.281 12.788 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.282 5.425 14.011 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.607 3.296 15.981 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.158 2.711 16.592 1.00 0.00 H new ATOM 28 N ALA A 3 14.165 3.170 11.034 1.00 0.00 N ATOM 29 CA ALA A 3 14.718 2.884 9.720 1.00 0.00 C ATOM 30 C ALA A 3 14.810 1.380 9.535 1.00 0.00 C ATOM 31 O ALA A 3 15.693 0.870 8.844 1.00 0.00 O ATOM 32 CB ALA A 3 16.085 3.533 9.565 1.00 0.00 C ATOM 0 H ALA A 3 14.313 2.428 11.719 1.00 0.00 H new ATOM 0 HA ALA A 3 14.064 3.299 8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.484 3.309 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 3 15.991 4.613 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.761 3.143 10.326 1.00 0.00 H new ATOM 38 N ASP A 4 13.888 0.681 10.177 1.00 0.00 N ATOM 39 CA ASP A 4 13.834 -0.772 10.117 1.00 0.00 C ATOM 40 C ASP A 4 12.819 -1.208 9.069 1.00 0.00 C ATOM 41 O ASP A 4 13.003 -2.213 8.383 1.00 0.00 O ATOM 42 CB ASP A 4 13.456 -1.327 11.493 1.00 0.00 C ATOM 43 CG ASP A 4 13.326 -2.836 11.509 1.00 0.00 C ATOM 44 OD1 ASP A 4 14.362 -3.523 11.630 1.00 0.00 O ATOM 45 OD2 ASP A 4 12.186 -3.344 11.424 1.00 0.00 O ATOM 0 H ASP A 4 13.158 1.102 10.752 1.00 0.00 H new ATOM 0 HA ASP A 4 14.812 -1.162 9.836 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.210 -1.025 12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.512 -0.883 11.810 1.00 0.00 H new ATOM 50 N GLY A 5 11.757 -0.425 8.956 1.00 0.00 N ATOM 51 CA GLY A 5 10.724 -0.693 7.983 1.00 0.00 C ATOM 52 C GLY A 5 9.526 0.213 8.179 1.00 0.00 C ATOM 53 O GLY A 5 9.382 0.833 9.239 1.00 0.00 O ATOM 0 H GLY A 5 11.593 0.402 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.125 -0.555 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.411 -1.734 8.061 1.00 0.00 H new ATOM 57 N ILE A 6 8.685 0.310 7.157 1.00 0.00 N ATOM 58 CA ILE A 6 7.455 1.086 7.244 1.00 0.00 C ATOM 59 C ILE A 6 6.506 0.471 8.268 1.00 0.00 C ATOM 60 O ILE A 6 6.305 -0.746 8.294 1.00 0.00 O ATOM 61 CB ILE A 6 6.754 1.189 5.865 1.00 0.00 C ATOM 62 CG1 ILE A 6 7.559 2.103 4.938 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.321 1.690 6.004 1.00 0.00 C ATOM 64 CD1 ILE A 6 6.907 2.347 3.593 1.00 0.00 C ATOM 0 H ILE A 6 8.834 -0.141 6.254 1.00 0.00 H new ATOM 0 HA ILE A 6 7.721 2.093 7.566 1.00 0.00 H new ATOM 0 HB ILE A 6 6.710 0.191 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.713 3.061 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.544 1.664 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.859 1.750 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.753 1.000 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.324 2.678 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.540 3.004 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.777 1.397 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.934 2.816 3.740 1.00 0.00 H new ATOM 76 N ALA A 7 5.936 1.315 9.117 1.00 0.00 N ATOM 77 CA ALA A 7 5.043 0.854 10.164 1.00 0.00 C ATOM 78 C ALA A 7 3.622 0.702 9.634 1.00 0.00 C ATOM 79 O ALA A 7 2.862 1.667 9.575 1.00 0.00 O ATOM 80 CB ALA A 7 5.078 1.805 11.349 1.00 0.00 C ATOM 0 H ALA A 7 6.078 2.325 9.099 1.00 0.00 H new ATOM 0 HA ALA A 7 5.384 -0.125 10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.403 1.444 12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.092 1.855 11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.764 2.798 11.028 1.00 0.00 H new ATOM 86 N PHE A 8 3.277 -0.512 9.233 1.00 0.00 N ATOM 87 CA PHE A 8 1.956 -0.798 8.715 1.00 0.00 C ATOM 88 C PHE A 8 0.979 -1.018 9.860 1.00 0.00 C ATOM 89 O PHE A 8 1.317 -1.644 10.865 1.00 0.00 O ATOM 90 CB PHE A 8 1.993 -2.036 7.821 1.00 0.00 C ATOM 91 CG PHE A 8 2.754 -1.847 6.541 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.178 -1.183 5.470 1.00 0.00 C ATOM 93 CD2 PHE A 8 4.042 -2.341 6.403 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.873 -1.011 4.290 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.741 -2.171 5.224 1.00 0.00 C ATOM 96 CZ PHE A 8 4.155 -1.507 4.166 1.00 0.00 C ATOM 0 H PHE A 8 3.902 -1.318 9.259 1.00 0.00 H new ATOM 0 HA PHE A 8 1.624 0.055 8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.440 -2.860 8.378 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.971 -2.329 7.583 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.174 -0.796 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.504 -2.865 7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.414 -0.488 3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.745 -2.557 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.699 -1.376 3.242 1.00 0.00 H new ATOM 106 N ARG A 9 -0.222 -0.486 9.713 1.00 0.00 N ATOM 107 CA ARG A 9 -1.264 -0.662 10.710 1.00 0.00 C ATOM 108 C ARG A 9 -2.457 -1.368 10.084 1.00 0.00 C ATOM 109 O ARG A 9 -2.852 -1.052 8.962 1.00 0.00 O ATOM 110 CB ARG A 9 -1.687 0.690 11.288 1.00 0.00 C ATOM 111 CG ARG A 9 -0.540 1.463 11.921 1.00 0.00 C ATOM 112 CD ARG A 9 -1.030 2.674 12.697 1.00 0.00 C ATOM 113 NE ARG A 9 -1.647 3.685 11.844 1.00 0.00 N ATOM 114 CZ ARG A 9 -2.793 4.297 12.134 1.00 0.00 C ATOM 115 NH1 ARG A 9 -3.513 3.915 13.184 1.00 0.00 N ATOM 116 NH2 ARG A 9 -3.224 5.280 11.358 1.00 0.00 N ATOM 0 H ARG A 9 -0.501 0.075 8.908 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.875 -1.273 11.524 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.128 1.294 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.464 0.530 12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.016 0.805 12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.152 1.786 11.143 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.751 2.350 13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.191 3.120 13.232 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.173 3.937 10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.188 3.148 13.773 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.390 4.388 13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.679 5.564 10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.101 5.753 11.574 1.00 0.00 H new ATOM 130 N GLU A 10 -3.024 -2.329 10.796 1.00 0.00 N ATOM 131 CA GLU A 10 -4.134 -3.104 10.268 1.00 0.00 C ATOM 132 C GLU A 10 -5.462 -2.704 10.911 1.00 0.00 C ATOM 133 O GLU A 10 -5.810 -3.156 12.002 1.00 0.00 O ATOM 134 CB GLU A 10 -3.870 -4.612 10.420 1.00 0.00 C ATOM 135 CG GLU A 10 -2.917 -4.981 11.554 1.00 0.00 C ATOM 136 CD GLU A 10 -3.501 -4.750 12.930 1.00 0.00 C ATOM 137 OE1 GLU A 10 -4.205 -5.649 13.440 1.00 0.00 O ATOM 138 OE2 GLU A 10 -3.249 -3.678 13.517 1.00 0.00 O ATOM 0 H GLU A 10 -2.734 -2.590 11.739 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.214 -2.881 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.821 -5.119 10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.463 -4.992 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.638 -6.030 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.002 -4.398 11.453 1.00 0.00 H new ATOM 145 N LEU A 11 -6.186 -1.828 10.233 1.00 0.00 N ATOM 146 CA LEU A 11 -7.513 -1.421 10.658 1.00 0.00 C ATOM 147 C LEU A 11 -8.546 -1.941 9.669 1.00 0.00 C ATOM 148 O LEU A 11 -8.190 -2.419 8.591 1.00 0.00 O ATOM 149 CB LEU A 11 -7.618 0.108 10.737 1.00 0.00 C ATOM 150 CG LEU A 11 -6.850 0.795 11.876 1.00 0.00 C ATOM 151 CD1 LEU A 11 -7.164 0.136 13.209 1.00 0.00 C ATOM 152 CD2 LEU A 11 -5.351 0.802 11.614 1.00 0.00 C ATOM 0 H LEU A 11 -5.869 -1.380 9.373 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.698 -1.837 11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.267 0.522 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.671 0.372 10.829 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.180 1.833 11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.610 0.638 14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.233 0.211 13.409 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.875 -0.914 13.173 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.840 1.296 12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.992 -0.223 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.146 1.339 10.688 1.00 0.00 H new ATOM 164 N SER A 12 -9.814 -1.876 10.043 1.00 0.00 N ATOM 165 CA SER A 12 -10.897 -2.168 9.115 1.00 0.00 C ATOM 166 C SER A 12 -10.975 -1.033 8.091 1.00 0.00 C ATOM 167 O SER A 12 -10.436 0.047 8.332 1.00 0.00 O ATOM 168 CB SER A 12 -12.216 -2.307 9.886 1.00 0.00 C ATOM 169 OG SER A 12 -13.241 -2.864 9.080 1.00 0.00 O ATOM 0 H SER A 12 -10.119 -1.624 10.983 1.00 0.00 H new ATOM 0 HA SER A 12 -10.713 -3.108 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.060 -2.936 10.762 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.530 -1.328 10.248 1.00 0.00 H new ATOM 0 HG SER A 12 -14.065 -2.939 9.605 1.00 0.00 H new ATOM 175 N PHE A 13 -11.632 -1.263 6.959 1.00 0.00 N ATOM 176 CA PHE A 13 -11.682 -0.255 5.899 1.00 0.00 C ATOM 177 C PHE A 13 -12.321 1.055 6.389 1.00 0.00 C ATOM 178 O PHE A 13 -11.709 2.116 6.246 1.00 0.00 O ATOM 179 CB PHE A 13 -12.411 -0.792 4.658 1.00 0.00 C ATOM 180 CG PHE A 13 -12.401 0.161 3.496 1.00 0.00 C ATOM 181 CD1 PHE A 13 -11.274 0.295 2.701 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.519 0.927 3.200 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.260 1.175 1.635 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.511 1.809 2.136 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.380 1.932 1.351 1.00 0.00 C ATOM 0 H PHE A 13 -12.133 -2.127 6.750 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.653 -0.031 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.948 -1.730 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.444 -1.018 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.396 -0.295 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.406 0.833 3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.374 1.271 1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.387 2.401 1.918 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.372 2.619 0.517 1.00 0.00 H new ATOM 195 N PRO A 14 -13.547 1.020 6.974 1.00 0.00 N ATOM 196 CA PRO A 14 -14.159 2.216 7.567 1.00 0.00 C ATOM 197 C PRO A 14 -13.239 2.893 8.576 1.00 0.00 C ATOM 198 O PRO A 14 -13.080 4.114 8.570 1.00 0.00 O ATOM 199 CB PRO A 14 -15.399 1.678 8.282 1.00 0.00 C ATOM 200 CG PRO A 14 -15.729 0.401 7.594 1.00 0.00 C ATOM 201 CD PRO A 14 -14.434 -0.158 7.074 1.00 0.00 C ATOM 0 HA PRO A 14 -14.377 2.969 6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.201 1.514 9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.227 2.384 8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.203 -0.298 8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.432 0.571 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.024 -0.909 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.568 -0.639 6.105 1.00 0.00 H new ATOM 209 N GLU A 15 -12.631 2.078 9.432 1.00 0.00 N ATOM 210 CA GLU A 15 -11.725 2.543 10.450 1.00 0.00 C ATOM 211 C GLU A 15 -10.564 3.313 9.832 1.00 0.00 C ATOM 212 O GLU A 15 -10.315 4.466 10.177 1.00 0.00 O ATOM 213 CB GLU A 15 -11.197 1.324 11.190 1.00 0.00 C ATOM 214 CG GLU A 15 -10.399 1.645 12.421 1.00 0.00 C ATOM 215 CD GLU A 15 -11.218 2.295 13.514 1.00 0.00 C ATOM 216 OE1 GLU A 15 -12.144 1.642 14.038 1.00 0.00 O ATOM 217 OE2 GLU A 15 -10.923 3.455 13.870 1.00 0.00 O ATOM 0 H GLU A 15 -12.762 1.066 9.430 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.247 3.216 11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.039 0.692 11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.575 0.742 10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.955 0.727 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.577 2.308 12.150 1.00 0.00 H new ATOM 224 N ALA A 16 -9.880 2.663 8.900 1.00 0.00 N ATOM 225 CA ALA A 16 -8.703 3.234 8.257 1.00 0.00 C ATOM 226 C ALA A 16 -9.040 4.511 7.501 1.00 0.00 C ATOM 227 O ALA A 16 -8.247 5.453 7.480 1.00 0.00 O ATOM 228 CB ALA A 16 -8.073 2.217 7.318 1.00 0.00 C ATOM 0 H ALA A 16 -10.123 1.729 8.569 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.989 3.491 9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.195 2.655 6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.777 1.334 7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.795 1.932 6.553 1.00 0.00 H new ATOM 234 N LEU A 17 -10.216 4.537 6.884 1.00 0.00 N ATOM 235 CA LEU A 17 -10.673 5.708 6.150 1.00 0.00 C ATOM 236 C LEU A 17 -10.802 6.896 7.094 1.00 0.00 C ATOM 237 O LEU A 17 -10.289 7.984 6.831 1.00 0.00 O ATOM 238 CB LEU A 17 -12.026 5.421 5.494 1.00 0.00 C ATOM 239 CG LEU A 17 -12.508 6.477 4.497 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.540 6.593 3.329 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.907 6.139 4.001 1.00 0.00 C ATOM 0 H LEU A 17 -10.872 3.756 6.879 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.944 5.944 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.966 4.461 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.776 5.316 6.278 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.545 7.440 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.901 7.349 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.556 6.881 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.469 5.633 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.236 6.900 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.893 5.167 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.595 6.109 4.846 1.00 0.00 H new ATOM 253 N LYS A 18 -11.482 6.664 8.204 1.00 0.00 N ATOM 254 CA LYS A 18 -11.681 7.686 9.219 1.00 0.00 C ATOM 255 C LYS A 18 -10.345 8.133 9.813 1.00 0.00 C ATOM 256 O LYS A 18 -10.105 9.327 10.005 1.00 0.00 O ATOM 257 CB LYS A 18 -12.596 7.159 10.323 1.00 0.00 C ATOM 258 CG LYS A 18 -12.927 8.195 11.381 1.00 0.00 C ATOM 259 CD LYS A 18 -13.747 9.336 10.801 1.00 0.00 C ATOM 260 CE LYS A 18 -14.108 10.361 11.860 1.00 0.00 C ATOM 261 NZ LYS A 18 -14.972 11.438 11.313 1.00 0.00 N ATOM 0 H LYS A 18 -11.910 5.766 8.427 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.151 8.549 8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.523 6.800 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.120 6.303 10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.480 7.724 12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.005 8.588 11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.184 9.820 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.658 8.939 10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.622 9.866 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.197 10.798 12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.197 12.119 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.472 11.927 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.853 11.024 10.946 1.00 0.00 H new ATOM 275 N ARG A 19 -9.480 7.163 10.095 1.00 0.00 N ATOM 276 CA ARG A 19 -8.155 7.436 10.636 1.00 0.00 C ATOM 277 C ARG A 19 -7.363 8.351 9.708 1.00 0.00 C ATOM 278 O ARG A 19 -6.692 9.282 10.161 1.00 0.00 O ATOM 279 CB ARG A 19 -7.383 6.131 10.834 1.00 0.00 C ATOM 280 CG ARG A 19 -8.008 5.175 11.836 1.00 0.00 C ATOM 281 CD ARG A 19 -8.084 5.777 13.226 1.00 0.00 C ATOM 282 NE ARG A 19 -8.661 4.842 14.186 1.00 0.00 N ATOM 283 CZ ARG A 19 -8.123 4.558 15.368 1.00 0.00 C ATOM 284 NH1 ARG A 19 -6.969 5.109 15.730 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.736 3.710 16.179 1.00 0.00 N ATOM 0 H ARG A 19 -9.677 6.172 9.956 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.285 7.934 11.597 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.298 5.625 9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.370 6.369 11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.010 4.905 11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.425 4.255 11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.085 6.065 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.684 6.686 13.197 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.533 4.376 13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.492 5.753 15.100 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.561 4.888 16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.616 3.279 15.896 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.328 3.488 17.087 1.00 0.00 H new ATOM 299 N ALA A 20 -7.454 8.080 8.410 1.00 0.00 N ATOM 300 CA ALA A 20 -6.754 8.869 7.406 1.00 0.00 C ATOM 301 C ALA A 20 -7.247 10.309 7.399 1.00 0.00 C ATOM 302 O ALA A 20 -6.452 11.240 7.379 1.00 0.00 O ATOM 303 CB ALA A 20 -6.925 8.248 6.027 1.00 0.00 C ATOM 0 H ALA A 20 -8.010 7.315 8.028 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.694 8.873 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.396 8.850 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.518 7.237 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.984 8.211 5.773 1.00 0.00 H new ATOM 309 N GLU A 21 -8.561 10.480 7.435 1.00 0.00 N ATOM 310 CA GLU A 21 -9.170 11.806 7.422 1.00 0.00 C ATOM 311 C GLU A 21 -8.671 12.672 8.578 1.00 0.00 C ATOM 312 O GLU A 21 -8.473 13.877 8.422 1.00 0.00 O ATOM 313 CB GLU A 21 -10.692 11.683 7.483 1.00 0.00 C ATOM 314 CG GLU A 21 -11.303 11.132 6.210 1.00 0.00 C ATOM 315 CD GLU A 21 -11.284 12.138 5.079 1.00 0.00 C ATOM 316 OE1 GLU A 21 -10.207 12.381 4.504 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.357 12.702 4.764 1.00 0.00 O ATOM 0 H GLU A 21 -9.231 9.712 7.474 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.879 12.294 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.964 11.036 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.120 12.664 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.759 10.238 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.331 10.828 6.406 1.00 0.00 H new ATOM 324 N VAL A 22 -8.467 12.056 9.734 1.00 0.00 N ATOM 325 CA VAL A 22 -8.060 12.797 10.920 1.00 0.00 C ATOM 326 C VAL A 22 -6.537 12.941 11.017 1.00 0.00 C ATOM 327 O VAL A 22 -6.017 14.055 11.097 1.00 0.00 O ATOM 328 CB VAL A 22 -8.591 12.128 12.208 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.208 12.941 13.435 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.102 11.945 12.138 1.00 0.00 C ATOM 0 H VAL A 22 -8.576 11.052 9.876 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.495 13.792 10.823 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.131 11.144 12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.592 12.452 14.330 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.122 13.014 13.499 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.635 13.941 13.357 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.454 11.472 13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.581 12.917 12.024 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.353 11.314 11.285 1.00 0.00 H new ATOM 340 N GLU A 23 -5.826 11.823 10.986 1.00 0.00 N ATOM 341 CA GLU A 23 -4.395 11.821 11.297 1.00 0.00 C ATOM 342 C GLU A 23 -3.516 11.827 10.048 1.00 0.00 C ATOM 343 O GLU A 23 -2.431 12.409 10.049 1.00 0.00 O ATOM 344 CB GLU A 23 -4.051 10.596 12.141 1.00 0.00 C ATOM 345 CG GLU A 23 -4.682 10.593 13.524 1.00 0.00 C ATOM 346 CD GLU A 23 -4.094 11.653 14.431 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.865 11.640 14.638 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.858 12.487 14.956 1.00 0.00 O ATOM 0 H GLU A 23 -6.210 10.908 10.751 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.192 12.740 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.369 9.700 11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.968 10.535 12.248 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.756 10.754 13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.546 9.612 13.980 1.00 0.00 H new ATOM 355 N ASP A 24 -3.971 11.181 8.993 1.00 0.00 N ATOM 356 CA ASP A 24 -3.137 10.983 7.810 1.00 0.00 C ATOM 357 C ASP A 24 -3.651 11.819 6.641 1.00 0.00 C ATOM 358 O ASP A 24 -4.215 12.898 6.845 1.00 0.00 O ATOM 359 CB ASP A 24 -3.101 9.493 7.450 1.00 0.00 C ATOM 360 CG ASP A 24 -2.502 8.643 8.558 1.00 0.00 C ATOM 361 OD1 ASP A 24 -1.259 8.525 8.620 1.00 0.00 O ATOM 362 OD2 ASP A 24 -3.269 8.087 9.373 1.00 0.00 O ATOM 0 H ASP A 24 -4.908 10.784 8.924 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.122 11.314 8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.113 9.149 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.521 9.357 6.537 1.00 0.00 H new ATOM 367 N LYS A 25 -3.441 11.340 5.421 1.00 0.00 N ATOM 368 CA LYS A 25 -3.918 12.042 4.241 1.00 0.00 C ATOM 369 C LYS A 25 -4.694 11.094 3.329 1.00 0.00 C ATOM 370 O LYS A 25 -5.920 11.009 3.415 1.00 0.00 O ATOM 371 CB LYS A 25 -2.748 12.694 3.493 1.00 0.00 C ATOM 372 CG LYS A 25 -3.170 13.505 2.276 1.00 0.00 C ATOM 373 CD LYS A 25 -4.277 14.485 2.623 1.00 0.00 C ATOM 374 CE LYS A 25 -4.680 15.328 1.425 1.00 0.00 C ATOM 375 NZ LYS A 25 -5.843 16.204 1.734 1.00 0.00 N ATOM 0 H LYS A 25 -2.945 10.471 5.225 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.597 12.833 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.207 13.344 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.053 11.916 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.311 14.048 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.510 12.833 1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.145 13.938 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.945 15.137 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.836 15.942 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.928 14.675 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.089 16.764 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.656 15.617 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.597 16.844 2.516 1.00 0.00 H new ATOM 389 N LEU A 26 -3.985 10.378 2.467 1.00 0.00 N ATOM 390 CA LEU A 26 -4.619 9.402 1.588 1.00 0.00 C ATOM 391 C LEU A 26 -4.475 7.998 2.162 1.00 0.00 C ATOM 392 O LEU A 26 -3.936 7.820 3.254 1.00 0.00 O ATOM 393 CB LEU A 26 -4.025 9.461 0.176 1.00 0.00 C ATOM 394 CG LEU A 26 -4.743 10.387 -0.815 1.00 0.00 C ATOM 395 CD1 LEU A 26 -4.627 11.840 -0.394 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.188 10.194 -2.218 1.00 0.00 C ATOM 0 H LEU A 26 -2.974 10.453 2.357 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.678 9.649 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.985 9.779 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.020 8.452 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.800 10.123 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.146 12.471 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.076 11.971 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.575 12.124 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.707 10.858 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.123 10.426 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.335 9.160 -2.528 1.00 0.00 H new ATOM 408 N LEU A 27 -4.948 7.006 1.425 1.00 0.00 N ATOM 409 CA LEU A 27 -4.949 5.630 1.899 1.00 0.00 C ATOM 410 C LEU A 27 -3.958 4.778 1.114 1.00 0.00 C ATOM 411 O LEU A 27 -4.064 4.647 -0.108 1.00 0.00 O ATOM 412 CB LEU A 27 -6.361 5.043 1.782 1.00 0.00 C ATOM 413 CG LEU A 27 -6.509 3.575 2.196 1.00 0.00 C ATOM 414 CD1 LEU A 27 -6.183 3.390 3.670 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.916 3.081 1.897 1.00 0.00 C ATOM 0 H LEU A 27 -5.338 7.129 0.491 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.641 5.626 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.035 5.643 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.692 5.145 0.748 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.800 2.984 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.296 2.340 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.156 3.704 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.863 3.993 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.006 2.037 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.638 3.681 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.114 3.171 0.829 1.00 0.00 H new ATOM 427 N PHE A 28 -2.986 4.213 1.818 1.00 0.00 N ATOM 428 CA PHE A 28 -2.038 3.295 1.208 1.00 0.00 C ATOM 429 C PHE A 28 -2.466 1.865 1.495 1.00 0.00 C ATOM 430 O PHE A 28 -2.360 1.392 2.627 1.00 0.00 O ATOM 431 CB PHE A 28 -0.621 3.542 1.739 1.00 0.00 C ATOM 432 CG PHE A 28 0.422 2.639 1.137 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.895 2.867 -0.146 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.931 1.567 1.854 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.856 2.043 -0.702 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.892 0.740 1.302 1.00 0.00 C ATOM 437 CZ PHE A 28 2.354 0.979 0.023 1.00 0.00 C ATOM 0 H PHE A 28 -2.835 4.376 2.813 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.027 3.462 0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.346 4.579 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.621 3.410 2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.508 3.698 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.573 1.376 2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.217 2.232 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.281 -0.092 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.104 0.334 -0.410 1.00 0.00 H new ATOM 447 N VAL A 29 -2.966 1.191 0.477 1.00 0.00 N ATOM 448 CA VAL A 29 -3.465 -0.161 0.636 1.00 0.00 C ATOM 449 C VAL A 29 -2.389 -1.179 0.279 1.00 0.00 C ATOM 450 O VAL A 29 -2.068 -1.370 -0.896 1.00 0.00 O ATOM 451 CB VAL A 29 -4.712 -0.406 -0.240 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.303 -1.781 0.026 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.754 0.675 -0.007 1.00 0.00 C ATOM 0 H VAL A 29 -3.037 1.559 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.743 -0.282 1.683 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.401 -0.366 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.180 -1.928 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.561 -2.546 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.592 -1.856 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.624 0.483 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.054 0.671 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.332 1.648 -0.260 1.00 0.00 H new ATOM 463 N ASP A 30 -1.815 -1.801 1.299 1.00 0.00 N ATOM 464 CA ASP A 30 -0.861 -2.885 1.101 1.00 0.00 C ATOM 465 C ASP A 30 -1.586 -4.223 1.076 1.00 0.00 C ATOM 466 O ASP A 30 -2.145 -4.660 2.087 1.00 0.00 O ATOM 467 CB ASP A 30 0.200 -2.881 2.207 1.00 0.00 C ATOM 468 CG ASP A 30 1.093 -4.110 2.170 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.748 -4.348 1.131 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.154 -4.833 3.188 1.00 0.00 O ATOM 0 H ASP A 30 -1.994 -1.573 2.277 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.362 -2.734 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.816 -1.987 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.293 -2.825 3.177 1.00 0.00 H new ATOM 475 N CYS A 31 -1.625 -4.838 -0.095 1.00 0.00 N ATOM 476 CA CYS A 31 -2.227 -6.149 -0.248 1.00 0.00 C ATOM 477 C CYS A 31 -1.221 -7.128 -0.835 1.00 0.00 C ATOM 478 O CYS A 31 -0.796 -6.993 -1.984 1.00 0.00 O ATOM 479 CB CYS A 31 -3.478 -6.082 -1.125 1.00 0.00 C ATOM 480 SG CYS A 31 -4.836 -5.138 -0.397 1.00 0.00 S ATOM 0 H CYS A 31 -1.244 -4.446 -0.956 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.526 -6.501 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.213 -5.637 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.822 -7.096 -1.328 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.849 -5.136 -1.212 1.00 0.00 H new ATOM 486 N PHE A 32 -0.848 -8.105 -0.035 1.00 0.00 N ATOM 487 CA PHE A 32 0.108 -9.112 -0.445 1.00 0.00 C ATOM 488 C PHE A 32 -0.459 -10.496 -0.165 1.00 0.00 C ATOM 489 O PHE A 32 -1.436 -10.637 0.575 1.00 0.00 O ATOM 490 CB PHE A 32 1.433 -8.924 0.301 1.00 0.00 C ATOM 491 CG PHE A 32 1.340 -9.208 1.774 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.726 -8.309 2.631 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.858 -10.381 2.299 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.630 -8.577 3.982 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.764 -10.654 3.649 1.00 0.00 C ATOM 496 CZ PHE A 32 1.149 -9.750 4.492 1.00 0.00 C ATOM 0 H PHE A 32 -1.198 -8.223 0.916 1.00 0.00 H new ATOM 0 HA PHE A 32 0.296 -9.010 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.185 -9.579 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.779 -7.900 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.318 -7.389 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.341 -11.091 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.149 -7.869 4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.171 -11.573 4.045 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.074 -9.960 5.549 1.00 0.00 H new ATOM 506 N THR A 33 0.152 -11.507 -0.746 1.00 0.00 N ATOM 507 CA THR A 33 -0.265 -12.877 -0.511 1.00 0.00 C ATOM 508 C THR A 33 0.649 -13.534 0.523 1.00 0.00 C ATOM 509 O THR A 33 1.830 -13.195 0.617 1.00 0.00 O ATOM 510 CB THR A 33 -0.234 -13.681 -1.827 1.00 0.00 C ATOM 511 OG1 THR A 33 -0.979 -12.985 -2.836 1.00 0.00 O ATOM 512 CG2 THR A 33 -0.816 -15.077 -1.643 1.00 0.00 C ATOM 0 H THR A 33 0.940 -11.408 -1.386 1.00 0.00 H new ATOM 0 HA THR A 33 -1.286 -12.869 -0.129 1.00 0.00 H new ATOM 0 HB THR A 33 0.807 -13.783 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.699 -12.470 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.778 -15.615 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.236 -15.618 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.851 -14.999 -1.312 1.00 0.00 H new ATOM 520 N THR A 34 0.084 -14.448 1.312 1.00 0.00 N ATOM 521 CA THR A 34 0.822 -15.153 2.357 1.00 0.00 C ATOM 522 C THR A 34 2.025 -15.895 1.771 1.00 0.00 C ATOM 523 O THR A 34 3.032 -16.116 2.454 1.00 0.00 O ATOM 524 CB THR A 34 -0.103 -16.151 3.078 1.00 0.00 C ATOM 525 OG1 THR A 34 -1.394 -15.550 3.268 1.00 0.00 O ATOM 526 CG2 THR A 34 0.470 -16.558 4.428 1.00 0.00 C ATOM 0 H THR A 34 -0.897 -14.719 1.244 1.00 0.00 H new ATOM 0 HA THR A 34 1.185 -14.415 3.072 1.00 0.00 H new ATOM 0 HB THR A 34 -0.191 -17.045 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.986 -16.183 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.206 -17.263 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.443 -17.028 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.584 -15.675 5.056 1.00 0.00 H new ATOM 534 N TRP A 35 1.893 -16.288 0.510 1.00 0.00 N ATOM 535 CA TRP A 35 2.995 -16.851 -0.251 1.00 0.00 C ATOM 536 C TRP A 35 4.153 -15.855 -0.284 1.00 0.00 C ATOM 537 O TRP A 35 4.055 -14.794 -0.904 1.00 0.00 O ATOM 538 CB TRP A 35 2.509 -17.169 -1.669 1.00 0.00 C ATOM 539 CG TRP A 35 3.529 -17.846 -2.536 1.00 0.00 C ATOM 540 CD1 TRP A 35 3.832 -19.173 -2.556 1.00 0.00 C ATOM 541 CD2 TRP A 35 4.368 -17.227 -3.518 1.00 0.00 C ATOM 542 NE1 TRP A 35 4.810 -19.418 -3.487 1.00 0.00 N ATOM 543 CE2 TRP A 35 5.155 -18.241 -4.092 1.00 0.00 C ATOM 544 CE3 TRP A 35 4.528 -15.914 -3.970 1.00 0.00 C ATOM 545 CZ2 TRP A 35 6.091 -17.982 -5.087 1.00 0.00 C ATOM 546 CZ3 TRP A 35 5.456 -15.660 -4.960 1.00 0.00 C ATOM 547 CH2 TRP A 35 6.225 -16.690 -5.512 1.00 0.00 C ATOM 0 H TRP A 35 1.019 -16.224 -0.011 1.00 0.00 H new ATOM 0 HA TRP A 35 3.346 -17.771 0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.626 -17.805 -1.603 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.199 -16.242 -2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.370 -19.923 -1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.215 -20.331 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.936 -15.113 -3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.691 -18.774 -5.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.591 -14.649 -5.314 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.939 -16.460 -6.289 1.00 0.00 H new ATOM 558 N CYS A 36 5.238 -16.195 0.395 1.00 0.00 N ATOM 559 CA CYS A 36 6.355 -15.279 0.546 1.00 0.00 C ATOM 560 C CYS A 36 7.229 -15.254 -0.699 1.00 0.00 C ATOM 561 O CYS A 36 8.062 -16.137 -0.913 1.00 0.00 O ATOM 562 CB CYS A 36 7.187 -15.645 1.775 1.00 0.00 C ATOM 563 SG CYS A 36 6.301 -15.457 3.337 1.00 0.00 S ATOM 0 H CYS A 36 5.367 -17.099 0.850 1.00 0.00 H new ATOM 0 HA CYS A 36 5.945 -14.279 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.523 -16.678 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.080 -15.020 1.797 1.00 0.00 H new ATOM 0 HG CYS A 36 5.031 -15.658 3.143 1.00 0.00 H new ATOM 569 N GLY A 37 7.015 -14.242 -1.521 1.00 0.00 N ATOM 570 CA GLY A 37 7.838 -14.044 -2.692 1.00 0.00 C ATOM 571 C GLY A 37 8.348 -12.623 -2.773 1.00 0.00 C ATOM 572 O GLY A 37 9.085 -12.176 -1.887 1.00 0.00 O ATOM 0 H GLY A 37 6.278 -13.548 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.681 -14.734 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.262 -14.277 -3.587 1.00 0.00 H new ATOM 576 N PRO A 38 7.947 -11.877 -3.815 1.00 0.00 N ATOM 577 CA PRO A 38 8.353 -10.478 -4.001 1.00 0.00 C ATOM 578 C PRO A 38 7.909 -9.582 -2.847 1.00 0.00 C ATOM 579 O PRO A 38 8.553 -8.577 -2.545 1.00 0.00 O ATOM 580 CB PRO A 38 7.642 -10.057 -5.292 1.00 0.00 C ATOM 581 CG PRO A 38 7.281 -11.329 -5.980 1.00 0.00 C ATOM 582 CD PRO A 38 7.073 -12.348 -4.899 1.00 0.00 C ATOM 0 HA PRO A 38 9.438 -10.382 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.755 -9.462 -5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.292 -9.444 -5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.377 -11.205 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.073 -11.641 -6.661 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.030 -12.393 -4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.349 -13.349 -5.232 1.00 0.00 H new ATOM 590 N CYS A 39 6.810 -9.963 -2.202 1.00 0.00 N ATOM 591 CA CYS A 39 6.241 -9.190 -1.103 1.00 0.00 C ATOM 592 C CYS A 39 7.236 -9.025 0.047 1.00 0.00 C ATOM 593 O CYS A 39 7.287 -7.974 0.689 1.00 0.00 O ATOM 594 CB CYS A 39 4.958 -9.865 -0.608 1.00 0.00 C ATOM 595 SG CYS A 39 5.100 -11.658 -0.407 1.00 0.00 S ATOM 0 H CYS A 39 6.291 -10.812 -2.425 1.00 0.00 H new ATOM 0 HA CYS A 39 6.006 -8.193 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.673 -9.424 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.153 -9.651 -1.311 1.00 0.00 H new ATOM 0 HG CYS A 39 3.968 -12.138 0.016 1.00 0.00 H new ATOM 601 N LYS A 40 8.041 -10.052 0.286 1.00 0.00 N ATOM 602 CA LYS A 40 9.018 -10.015 1.367 1.00 0.00 C ATOM 603 C LYS A 40 10.138 -9.032 1.047 1.00 0.00 C ATOM 604 O LYS A 40 10.521 -8.221 1.887 1.00 0.00 O ATOM 605 CB LYS A 40 9.595 -11.413 1.617 1.00 0.00 C ATOM 606 CG LYS A 40 10.602 -11.463 2.760 1.00 0.00 C ATOM 607 CD LYS A 40 11.227 -12.842 2.902 1.00 0.00 C ATOM 608 CE LYS A 40 10.197 -13.892 3.283 1.00 0.00 C ATOM 609 NZ LYS A 40 10.800 -15.248 3.356 1.00 0.00 N ATOM 0 H LYS A 40 8.037 -10.919 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 40 8.512 -9.679 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.778 -12.101 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.076 -11.767 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.385 -10.725 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.107 -11.190 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.703 -13.124 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.010 -12.810 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.756 -13.637 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.388 -13.892 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.069 -15.939 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.199 -15.501 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.555 -15.254 4.071 1.00 0.00 H new ATOM 623 N ARG A 41 10.643 -9.095 -0.179 1.00 0.00 N ATOM 624 CA ARG A 41 11.739 -8.229 -0.592 1.00 0.00 C ATOM 625 C ARG A 41 11.278 -6.778 -0.629 1.00 0.00 C ATOM 626 O ARG A 41 12.033 -5.863 -0.296 1.00 0.00 O ATOM 627 CB ARG A 41 12.274 -8.653 -1.962 1.00 0.00 C ATOM 628 CG ARG A 41 13.600 -8.016 -2.318 1.00 0.00 C ATOM 629 CD ARG A 41 14.029 -8.395 -3.720 1.00 0.00 C ATOM 630 NE ARG A 41 13.197 -7.776 -4.751 1.00 0.00 N ATOM 631 CZ ARG A 41 12.820 -8.394 -5.872 1.00 0.00 C ATOM 632 NH1 ARG A 41 13.105 -9.678 -6.052 1.00 0.00 N ATOM 633 NH2 ARG A 41 12.130 -7.735 -6.793 1.00 0.00 N ATOM 0 H ARG A 41 10.312 -9.734 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 41 12.546 -8.322 0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.385 -9.737 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.540 -8.395 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.519 -6.932 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.361 -8.331 -1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.067 -8.099 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.988 -9.479 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 41 12.887 -6.815 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.613 -10.193 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.816 -10.149 -6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.887 -6.755 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.842 -8.208 -7.650 1.00 0.00 H new ATOM 647 N LEU A 42 10.027 -6.578 -1.019 1.00 0.00 N ATOM 648 CA LEU A 42 9.438 -5.250 -1.061 1.00 0.00 C ATOM 649 C LEU A 42 9.427 -4.622 0.329 1.00 0.00 C ATOM 650 O LEU A 42 9.831 -3.472 0.509 1.00 0.00 O ATOM 651 CB LEU A 42 8.011 -5.327 -1.611 1.00 0.00 C ATOM 652 CG LEU A 42 7.273 -3.990 -1.704 1.00 0.00 C ATOM 653 CD1 LEU A 42 7.973 -3.056 -2.679 1.00 0.00 C ATOM 654 CD2 LEU A 42 5.826 -4.210 -2.115 1.00 0.00 C ATOM 0 H LEU A 42 9.398 -7.325 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 42 10.042 -4.625 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.046 -5.774 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.431 -6.000 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 42 7.284 -3.522 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.432 -2.111 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.992 -2.872 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.997 -3.514 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.315 -3.249 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.795 -4.701 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.329 -4.838 -1.376 1.00 0.00 H new ATOM 666 N SER A 43 8.989 -5.393 1.315 1.00 0.00 N ATOM 667 CA SER A 43 8.855 -4.887 2.668 1.00 0.00 C ATOM 668 C SER A 43 10.221 -4.766 3.351 1.00 0.00 C ATOM 669 O SER A 43 10.482 -3.794 4.057 1.00 0.00 O ATOM 670 CB SER A 43 7.931 -5.802 3.477 1.00 0.00 C ATOM 671 OG SER A 43 7.564 -5.208 4.712 1.00 0.00 O ATOM 0 H SER A 43 8.721 -6.371 1.200 1.00 0.00 H new ATOM 0 HA SER A 43 8.417 -3.890 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.035 -6.021 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.430 -6.753 3.663 1.00 0.00 H new ATOM 0 HG SER A 43 6.973 -5.815 5.204 1.00 0.00 H new ATOM 677 N LYS A 44 11.092 -5.741 3.117 1.00 0.00 N ATOM 678 CA LYS A 44 12.375 -5.803 3.807 1.00 0.00 C ATOM 679 C LYS A 44 13.410 -4.852 3.199 1.00 0.00 C ATOM 680 O LYS A 44 14.145 -4.185 3.923 1.00 0.00 O ATOM 681 CB LYS A 44 12.912 -7.242 3.796 1.00 0.00 C ATOM 682 CG LYS A 44 14.276 -7.406 4.458 1.00 0.00 C ATOM 683 CD LYS A 44 14.261 -6.966 5.916 1.00 0.00 C ATOM 684 CE LYS A 44 13.364 -7.853 6.767 1.00 0.00 C ATOM 685 NZ LYS A 44 13.302 -7.380 8.173 1.00 0.00 N ATOM 0 H LYS A 44 10.933 -6.500 2.454 1.00 0.00 H new ATOM 0 HA LYS A 44 12.205 -5.483 4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.195 -7.889 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.978 -7.585 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.585 -8.450 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.017 -6.822 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.276 -6.989 6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.917 -5.934 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.360 -7.869 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.736 -8.877 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.682 -8.008 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.257 -7.389 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.923 -6.412 8.197 1.00 0.00 H new ATOM 699 N VAL A 45 13.472 -4.789 1.878 1.00 0.00 N ATOM 700 CA VAL A 45 14.518 -4.020 1.211 1.00 0.00 C ATOM 701 C VAL A 45 14.052 -2.607 0.865 1.00 0.00 C ATOM 702 O VAL A 45 14.727 -1.626 1.183 1.00 0.00 O ATOM 703 CB VAL A 45 15.005 -4.732 -0.070 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.097 -3.928 -0.761 1.00 0.00 C ATOM 705 CG2 VAL A 45 15.497 -6.136 0.254 1.00 0.00 C ATOM 0 H VAL A 45 12.818 -5.255 1.249 1.00 0.00 H new ATOM 0 HA VAL A 45 15.347 -3.946 1.914 1.00 0.00 H new ATOM 0 HB VAL A 45 14.161 -4.810 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.421 -4.452 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.709 -2.947 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.944 -3.808 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 45 15.836 -6.623 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.324 -6.078 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.684 -6.714 0.693 1.00 0.00 H new ATOM 715 N VAL A 46 12.894 -2.505 0.223 1.00 0.00 N ATOM 716 CA VAL A 46 12.403 -1.218 -0.260 1.00 0.00 C ATOM 717 C VAL A 46 11.921 -0.335 0.889 1.00 0.00 C ATOM 718 O VAL A 46 12.357 0.807 1.033 1.00 0.00 O ATOM 719 CB VAL A 46 11.258 -1.395 -1.278 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.801 -0.051 -1.816 1.00 0.00 C ATOM 721 CG2 VAL A 46 11.687 -2.305 -2.417 1.00 0.00 C ATOM 0 H VAL A 46 12.279 -3.294 0.025 1.00 0.00 H new ATOM 0 HA VAL A 46 13.244 -0.731 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 46 10.418 -1.861 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.993 -0.201 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.446 0.569 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.636 0.446 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.864 -2.416 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.547 -1.870 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.958 -3.283 -2.019 1.00 0.00 H new ATOM 731 N PHE A 47 11.044 -0.878 1.721 1.00 0.00 N ATOM 732 CA PHE A 47 10.410 -0.104 2.784 1.00 0.00 C ATOM 733 C PHE A 47 11.304 0.010 4.022 1.00 0.00 C ATOM 734 O PHE A 47 10.836 0.382 5.098 1.00 0.00 O ATOM 735 CB PHE A 47 9.069 -0.737 3.167 1.00 0.00 C ATOM 736 CG PHE A 47 8.060 -0.777 2.047 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.004 0.238 1.103 1.00 0.00 C ATOM 738 CD2 PHE A 47 7.153 -1.822 1.951 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.066 0.210 0.087 1.00 0.00 C ATOM 740 CE2 PHE A 47 6.216 -1.857 0.936 1.00 0.00 C ATOM 741 CZ PHE A 47 6.172 -0.838 0.004 1.00 0.00 C ATOM 0 H PHE A 47 10.753 -1.855 1.682 1.00 0.00 H new ATOM 0 HA PHE A 47 10.245 0.903 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.247 -1.754 3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.644 -0.182 4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.702 1.060 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.179 -2.619 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.033 1.007 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.519 -2.680 0.871 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.439 -0.862 -0.789 1.00 0.00 H new ATOM 751 N LYS A 48 12.586 -0.288 3.864 1.00 0.00 N ATOM 752 CA LYS A 48 13.526 -0.234 4.978 1.00 0.00 C ATOM 753 C LYS A 48 14.043 1.189 5.185 1.00 0.00 C ATOM 754 O LYS A 48 14.342 1.597 6.309 1.00 0.00 O ATOM 755 CB LYS A 48 14.706 -1.174 4.715 1.00 0.00 C ATOM 756 CG LYS A 48 15.706 -1.249 5.860 1.00 0.00 C ATOM 757 CD LYS A 48 16.973 -1.972 5.434 1.00 0.00 C ATOM 758 CE LYS A 48 18.016 -2.001 6.540 1.00 0.00 C ATOM 759 NZ LYS A 48 17.621 -2.886 7.668 1.00 0.00 N ATOM 0 H LYS A 48 13.000 -0.570 2.976 1.00 0.00 H new ATOM 0 HA LYS A 48 13.002 -0.550 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.322 -2.175 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.225 -0.846 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.954 -0.242 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.256 -1.767 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.726 -2.993 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.391 -1.482 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.967 -2.342 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.174 -0.989 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.371 -2.886 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.736 -2.538 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.479 -3.854 7.316 1.00 0.00 H new ATOM 773 N ASP A 49 14.142 1.942 4.098 1.00 0.00 N ATOM 774 CA ASP A 49 14.729 3.279 4.146 1.00 0.00 C ATOM 775 C ASP A 49 13.832 4.256 4.896 1.00 0.00 C ATOM 776 O ASP A 49 12.614 4.249 4.728 1.00 0.00 O ATOM 777 CB ASP A 49 15.001 3.797 2.736 1.00 0.00 C ATOM 778 CG ASP A 49 15.552 5.208 2.742 1.00 0.00 C ATOM 779 OD1 ASP A 49 16.706 5.400 3.182 1.00 0.00 O ATOM 780 OD2 ASP A 49 14.834 6.134 2.316 1.00 0.00 O ATOM 0 H ASP A 49 13.825 1.653 3.173 1.00 0.00 H new ATOM 0 HA ASP A 49 15.673 3.203 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.709 3.134 2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.078 3.772 2.157 1.00 0.00 H new ATOM 785 N SER A 50 14.449 5.104 5.709 1.00 0.00 N ATOM 786 CA SER A 50 13.719 6.042 6.549 1.00 0.00 C ATOM 787 C SER A 50 13.037 7.132 5.721 1.00 0.00 C ATOM 788 O SER A 50 11.920 7.552 6.031 1.00 0.00 O ATOM 789 CB SER A 50 14.674 6.663 7.572 1.00 0.00 C ATOM 790 OG SER A 50 15.889 7.057 6.954 1.00 0.00 O ATOM 0 H SER A 50 15.463 5.160 5.804 1.00 0.00 H new ATOM 0 HA SER A 50 12.934 5.494 7.070 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.202 7.527 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.881 5.945 8.366 1.00 0.00 H new ATOM 0 HG SER A 50 16.484 7.453 7.625 1.00 0.00 H new ATOM 796 N LEU A 51 13.703 7.580 4.662 1.00 0.00 N ATOM 797 CA LEU A 51 13.153 8.622 3.803 1.00 0.00 C ATOM 798 C LEU A 51 11.963 8.087 3.018 1.00 0.00 C ATOM 799 O LEU A 51 10.948 8.769 2.865 1.00 0.00 O ATOM 800 CB LEU A 51 14.222 9.169 2.847 1.00 0.00 C ATOM 801 CG LEU A 51 15.134 10.263 3.419 1.00 0.00 C ATOM 802 CD1 LEU A 51 15.915 9.753 4.618 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.084 10.772 2.345 1.00 0.00 C ATOM 0 H LEU A 51 14.622 7.239 4.379 1.00 0.00 H new ATOM 0 HA LEU A 51 12.816 9.442 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.846 8.339 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.723 9.564 1.962 1.00 0.00 H new ATOM 0 HG LEU A 51 14.505 11.088 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.553 10.549 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.221 9.436 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.533 8.907 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 51 16.725 11.548 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.700 9.948 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.509 11.185 1.517 1.00 0.00 H new ATOM 815 N VAL A 52 12.098 6.864 2.523 1.00 0.00 N ATOM 816 CA VAL A 52 11.002 6.184 1.845 1.00 0.00 C ATOM 817 C VAL A 52 9.851 5.944 2.818 1.00 0.00 C ATOM 818 O VAL A 52 8.686 6.196 2.497 1.00 0.00 O ATOM 819 CB VAL A 52 11.462 4.836 1.248 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.300 4.099 0.597 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.577 5.057 0.238 1.00 0.00 C ATOM 0 H VAL A 52 12.959 6.320 2.579 1.00 0.00 H new ATOM 0 HA VAL A 52 10.665 6.825 1.030 1.00 0.00 H new ATOM 0 HB VAL A 52 11.841 4.219 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.654 3.154 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.529 3.904 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.884 4.710 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.890 4.098 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.217 5.697 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.424 5.535 0.730 1.00 0.00 H new ATOM 831 N ALA A 53 10.196 5.481 4.018 1.00 0.00 N ATOM 832 CA ALA A 53 9.211 5.210 5.056 1.00 0.00 C ATOM 833 C ALA A 53 8.380 6.448 5.372 1.00 0.00 C ATOM 834 O ALA A 53 7.154 6.387 5.381 1.00 0.00 O ATOM 835 CB ALA A 53 9.895 4.700 6.316 1.00 0.00 C ATOM 0 H ALA A 53 11.158 5.285 4.294 1.00 0.00 H new ATOM 0 HA ALA A 53 8.537 4.440 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.145 4.502 7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.435 3.780 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.596 5.452 6.679 1.00 0.00 H new ATOM 841 N ASP A 54 9.051 7.570 5.612 1.00 0.00 N ATOM 842 CA ASP A 54 8.363 8.807 5.984 1.00 0.00 C ATOM 843 C ASP A 54 7.539 9.357 4.824 1.00 0.00 C ATOM 844 O ASP A 54 6.459 9.910 5.031 1.00 0.00 O ATOM 845 CB ASP A 54 9.363 9.864 6.454 1.00 0.00 C ATOM 846 CG ASP A 54 8.677 11.119 6.961 1.00 0.00 C ATOM 847 OD1 ASP A 54 8.237 11.129 8.132 1.00 0.00 O ATOM 848 OD2 ASP A 54 8.571 12.098 6.194 1.00 0.00 O ATOM 0 H ASP A 54 10.066 7.651 5.557 1.00 0.00 H new ATOM 0 HA ASP A 54 7.686 8.567 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.984 9.447 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.028 10.123 5.631 1.00 0.00 H new ATOM 853 N TYR A 55 8.046 9.196 3.605 1.00 0.00 N ATOM 854 CA TYR A 55 7.335 9.658 2.418 1.00 0.00 C ATOM 855 C TYR A 55 5.956 9.008 2.333 1.00 0.00 C ATOM 856 O TYR A 55 4.939 9.689 2.191 1.00 0.00 O ATOM 857 CB TYR A 55 8.140 9.353 1.151 1.00 0.00 C ATOM 858 CG TYR A 55 7.472 9.826 -0.123 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.596 11.145 -0.547 1.00 0.00 C ATOM 860 CD2 TYR A 55 6.711 8.958 -0.899 1.00 0.00 C ATOM 861 CE1 TYR A 55 6.982 11.583 -1.705 1.00 0.00 C ATOM 862 CE2 TYR A 55 6.093 9.391 -2.057 1.00 0.00 C ATOM 863 CZ TYR A 55 6.233 10.704 -2.456 1.00 0.00 C ATOM 864 OH TYR A 55 5.618 11.140 -3.607 1.00 0.00 O ATOM 0 H TYR A 55 8.944 8.751 3.414 1.00 0.00 H new ATOM 0 HA TYR A 55 7.209 10.738 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.121 9.822 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.306 8.278 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.182 11.838 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.601 7.929 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.089 12.610 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.503 8.705 -2.647 1.00 0.00 H new ATOM 0 HH TYR A 55 5.130 10.397 -4.019 1.00 0.00 H new ATOM 874 N PHE A 56 5.930 7.688 2.432 1.00 0.00 N ATOM 875 CA PHE A 56 4.686 6.944 2.371 1.00 0.00 C ATOM 876 C PHE A 56 3.875 7.123 3.651 1.00 0.00 C ATOM 877 O PHE A 56 2.651 7.070 3.622 1.00 0.00 O ATOM 878 CB PHE A 56 4.963 5.463 2.114 1.00 0.00 C ATOM 879 CG PHE A 56 5.365 5.166 0.697 1.00 0.00 C ATOM 880 CD1 PHE A 56 6.696 5.211 0.312 1.00 0.00 C ATOM 881 CD2 PHE A 56 4.410 4.845 -0.254 1.00 0.00 C ATOM 882 CE1 PHE A 56 7.066 4.943 -0.994 1.00 0.00 C ATOM 883 CE2 PHE A 56 4.771 4.576 -1.560 1.00 0.00 C ATOM 884 CZ PHE A 56 6.102 4.625 -1.931 1.00 0.00 C ATOM 0 H PHE A 56 6.761 7.110 2.555 1.00 0.00 H new ATOM 0 HA PHE A 56 4.097 7.338 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.753 5.127 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.071 4.887 2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.454 5.458 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.369 4.805 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.107 4.982 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.015 4.328 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.387 4.415 -2.951 1.00 0.00 H new ATOM 894 N ASN A 57 4.566 7.335 4.765 1.00 0.00 N ATOM 895 CA ASN A 57 3.919 7.491 6.067 1.00 0.00 C ATOM 896 C ASN A 57 3.153 8.814 6.158 1.00 0.00 C ATOM 897 O ASN A 57 2.073 8.881 6.740 1.00 0.00 O ATOM 898 CB ASN A 57 4.972 7.432 7.181 1.00 0.00 C ATOM 899 CG ASN A 57 4.378 7.404 8.576 1.00 0.00 C ATOM 900 OD1 ASN A 57 4.947 7.964 9.515 1.00 0.00 O ATOM 901 ND2 ASN A 57 3.250 6.735 8.733 1.00 0.00 N ATOM 0 H ASN A 57 5.583 7.404 4.794 1.00 0.00 H new ATOM 0 HA ASN A 57 3.206 6.675 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.589 6.545 7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.631 8.296 7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.820 6.669 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.808 6.285 7.931 1.00 0.00 H new ATOM 908 N ARG A 58 3.719 9.869 5.588 1.00 0.00 N ATOM 909 CA ARG A 58 3.130 11.198 5.697 1.00 0.00 C ATOM 910 C ARG A 58 2.042 11.413 4.648 1.00 0.00 C ATOM 911 O ARG A 58 0.996 11.994 4.935 1.00 0.00 O ATOM 912 CB ARG A 58 4.213 12.267 5.536 1.00 0.00 C ATOM 913 CG ARG A 58 3.875 13.588 6.212 1.00 0.00 C ATOM 914 CD ARG A 58 3.751 13.416 7.719 1.00 0.00 C ATOM 915 NE ARG A 58 4.899 12.698 8.270 1.00 0.00 N ATOM 916 CZ ARG A 58 4.809 11.755 9.207 1.00 0.00 C ATOM 917 NH1 ARG A 58 3.650 11.522 9.819 1.00 0.00 N ATOM 918 NH2 ARG A 58 5.889 11.061 9.551 1.00 0.00 N ATOM 0 H ARG A 58 4.583 9.832 5.047 1.00 0.00 H new ATOM 0 HA ARG A 58 2.676 11.280 6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.149 11.888 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.380 12.445 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.649 14.323 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.940 13.978 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.670 14.394 8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.835 12.873 7.951 1.00 0.00 H new ATOM 0 HE ARG A 58 5.826 12.933 7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.824 12.067 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.588 10.799 10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.783 11.251 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.824 10.338 10.268 1.00 0.00 H new ATOM 932 N HIS A 59 2.289 10.935 3.435 1.00 0.00 N ATOM 933 CA HIS A 59 1.373 11.179 2.321 1.00 0.00 C ATOM 934 C HIS A 59 0.178 10.226 2.362 1.00 0.00 C ATOM 935 O HIS A 59 -0.909 10.556 1.885 1.00 0.00 O ATOM 936 CB HIS A 59 2.100 11.040 0.976 1.00 0.00 C ATOM 937 CG HIS A 59 3.120 12.109 0.707 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.175 12.812 -0.479 1.00 0.00 N ATOM 939 CD2 HIS A 59 4.149 12.573 1.460 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.187 13.658 -0.443 1.00 0.00 C ATOM 941 NE2 HIS A 59 4.793 13.532 0.720 1.00 0.00 N ATOM 0 H HIS A 59 3.110 10.379 3.195 1.00 0.00 H new ATOM 0 HA HIS A 59 1.004 12.200 2.423 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.593 10.068 0.942 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.361 11.051 0.175 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.412 12.248 2.456 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.470 14.338 -1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.610 14.063 1.022 1.00 0.00 H new ATOM 950 N PHE A 60 0.383 9.047 2.935 1.00 0.00 N ATOM 951 CA PHE A 60 -0.664 8.032 2.994 1.00 0.00 C ATOM 952 C PHE A 60 -0.694 7.385 4.374 1.00 0.00 C ATOM 953 O PHE A 60 0.314 7.362 5.070 1.00 0.00 O ATOM 954 CB PHE A 60 -0.420 6.928 1.951 1.00 0.00 C ATOM 955 CG PHE A 60 -0.335 7.394 0.523 1.00 0.00 C ATOM 956 CD1 PHE A 60 0.870 7.823 -0.010 1.00 0.00 C ATOM 957 CD2 PHE A 60 -1.455 7.386 -0.289 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.953 8.239 -1.325 1.00 0.00 C ATOM 959 CE2 PHE A 60 -1.379 7.799 -1.605 1.00 0.00 C ATOM 960 CZ PHE A 60 -0.173 8.227 -2.123 1.00 0.00 C ATOM 0 H PHE A 60 1.265 8.769 3.366 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.613 8.527 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.507 6.413 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.223 6.195 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.755 7.832 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.401 7.053 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.898 8.573 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.261 7.787 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.111 8.552 -3.151 1.00 0.00 H new ATOM 970 N VAL A 61 -1.847 6.868 4.771 1.00 0.00 N ATOM 971 CA VAL A 61 -1.916 6.027 5.954 1.00 0.00 C ATOM 972 C VAL A 61 -1.485 4.615 5.584 1.00 0.00 C ATOM 973 O VAL A 61 -1.976 4.036 4.614 1.00 0.00 O ATOM 974 CB VAL A 61 -3.325 6.007 6.600 1.00 0.00 C ATOM 975 CG1 VAL A 61 -4.391 5.613 5.593 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.353 5.069 7.804 1.00 0.00 C ATOM 0 H VAL A 61 -2.738 7.014 4.297 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.242 6.449 6.700 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.546 7.018 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.367 5.609 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.398 6.329 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.175 4.618 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.351 5.070 8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.098 4.059 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.630 5.408 8.546 1.00 0.00 H new ATOM 986 N ASN A 62 -0.540 4.079 6.334 1.00 0.00 N ATOM 987 CA ASN A 62 0.016 2.771 6.029 1.00 0.00 C ATOM 988 C ASN A 62 -0.911 1.671 6.530 1.00 0.00 C ATOM 989 O ASN A 62 -0.876 1.297 7.702 1.00 0.00 O ATOM 990 CB ASN A 62 1.411 2.626 6.650 1.00 0.00 C ATOM 991 CG ASN A 62 2.365 3.731 6.221 1.00 0.00 C ATOM 992 OD1 ASN A 62 3.245 4.137 6.978 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.201 4.228 5.001 1.00 0.00 N ATOM 0 H ASN A 62 -0.141 4.528 7.158 1.00 0.00 H new ATOM 0 HA ASN A 62 0.110 2.676 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.322 2.630 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.831 1.660 6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.815 4.970 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.461 3.868 4.399 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.756 1.172 5.637 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.727 0.145 5.987 1.00 0.00 C ATOM 1002 C LEU A 63 -2.289 -1.211 5.451 1.00 0.00 C ATOM 1003 O LEU A 63 -2.041 -1.366 4.254 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.104 0.504 5.417 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.207 -0.526 5.675 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.541 -0.596 7.156 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.448 -0.199 4.857 1.00 0.00 C ATOM 0 H LEU A 63 -1.788 1.464 4.660 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.790 0.090 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.416 1.459 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.008 0.647 4.341 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.841 -1.504 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.327 -1.334 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.652 -0.885 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.884 0.380 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.220 -0.943 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.816 0.789 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.198 -0.209 3.796 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.209 -2.191 6.335 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.821 -3.535 5.942 1.00 0.00 C ATOM 1021 C LYS A 64 -3.025 -4.469 5.997 1.00 0.00 C ATOM 1022 O LYS A 64 -3.801 -4.445 6.955 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.699 -4.052 6.844 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.160 -5.410 6.427 1.00 0.00 C ATOM 1025 CD LYS A 64 1.017 -5.833 7.285 1.00 0.00 C ATOM 1026 CE LYS A 64 1.497 -7.224 6.912 1.00 0.00 C ATOM 1027 NZ LYS A 64 2.693 -7.634 7.689 1.00 0.00 N ATOM 0 H LYS A 64 -2.408 -2.081 7.329 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.451 -3.506 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.118 -3.330 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.067 -4.115 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.952 -6.155 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.146 -5.375 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.833 -5.120 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.729 -5.815 8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.693 -7.941 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.731 -7.252 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.984 -8.590 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.470 -6.966 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.465 -7.634 8.704 1.00 0.00 H new ATOM 1041 N MET A 65 -3.182 -5.278 4.960 1.00 0.00 N ATOM 1042 CA MET A 65 -4.307 -6.195 4.865 1.00 0.00 C ATOM 1043 C MET A 65 -3.842 -7.591 4.486 1.00 0.00 C ATOM 1044 O MET A 65 -2.742 -7.770 3.967 1.00 0.00 O ATOM 1045 CB MET A 65 -5.321 -5.702 3.829 1.00 0.00 C ATOM 1046 CG MET A 65 -6.310 -4.679 4.361 1.00 0.00 C ATOM 1047 SD MET A 65 -7.411 -5.375 5.610 1.00 0.00 S ATOM 1048 CE MET A 65 -8.565 -4.023 5.826 1.00 0.00 C ATOM 0 H MET A 65 -2.540 -5.318 4.168 1.00 0.00 H new ATOM 0 HA MET A 65 -4.782 -6.233 5.845 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.781 -5.266 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.874 -6.558 3.443 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.764 -3.838 4.789 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.903 -4.287 3.535 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.302 -4.291 6.583 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.025 -3.131 6.145 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.071 -3.822 4.882 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.677 -8.577 4.780 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.443 -9.945 4.333 1.00 0.00 C ATOM 1060 C ASP A 66 -5.356 -10.233 3.160 1.00 0.00 C ATOM 1061 O ASP A 66 -6.387 -9.584 3.004 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.752 -10.956 5.428 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.986 -12.254 5.268 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -2.850 -12.350 5.771 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -4.530 -13.192 4.649 1.00 0.00 O ATOM 0 H ASP A 66 -5.528 -8.455 5.329 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.392 -10.036 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.515 -10.518 6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.821 -11.169 5.427 1.00 0.00 H new ATOM 1070 N MET A 67 -4.984 -11.198 2.348 1.00 0.00 N ATOM 1071 CA MET A 67 -5.783 -11.580 1.198 1.00 0.00 C ATOM 1072 C MET A 67 -6.667 -12.778 1.511 1.00 0.00 C ATOM 1073 O MET A 67 -7.530 -13.151 0.715 1.00 0.00 O ATOM 1074 CB MET A 67 -4.861 -11.914 0.047 1.00 0.00 C ATOM 1075 CG MET A 67 -4.397 -10.698 -0.734 1.00 0.00 C ATOM 1076 SD MET A 67 -3.435 -11.133 -2.195 1.00 0.00 S ATOM 1077 CE MET A 67 -3.091 -9.504 -2.855 1.00 0.00 C ATOM 0 H MET A 67 -4.126 -11.738 2.462 1.00 0.00 H new ATOM 0 HA MET A 67 -6.432 -10.745 0.933 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.989 -12.442 0.433 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.373 -12.597 -0.631 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.265 -10.113 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.796 -10.062 -0.084 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.641 -9.599 -3.843 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.020 -8.939 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.402 -8.981 -2.192 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.445 -13.377 2.667 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.195 -14.553 3.077 1.00 0.00 C ATOM 1089 C GLU A 68 -8.041 -14.243 4.307 1.00 0.00 C ATOM 1090 O GLU A 68 -9.194 -14.660 4.405 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.228 -15.701 3.381 1.00 0.00 C ATOM 1092 CG GLU A 68 -6.916 -17.006 3.744 1.00 0.00 C ATOM 1093 CD GLU A 68 -7.598 -17.661 2.560 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -8.670 -17.185 2.138 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -7.060 -18.660 2.044 1.00 0.00 O ATOM 0 H GLU A 68 -5.747 -13.067 3.343 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.860 -14.848 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.592 -15.867 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.575 -15.405 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.181 -17.695 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.654 -16.817 4.524 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.468 -13.493 5.234 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.129 -13.204 6.497 1.00 0.00 C ATOM 1104 C LYS A 69 -8.906 -11.891 6.429 1.00 0.00 C ATOM 1105 O LYS A 69 -8.327 -10.821 6.214 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.094 -13.134 7.623 1.00 0.00 C ATOM 1107 CG LYS A 69 -6.140 -14.322 7.669 1.00 0.00 C ATOM 1108 CD LYS A 69 -6.867 -15.632 7.917 1.00 0.00 C ATOM 1109 CE LYS A 69 -5.894 -16.795 7.956 1.00 0.00 C ATOM 1110 NZ LYS A 69 -6.571 -18.079 8.268 1.00 0.00 N ATOM 0 H LYS A 69 -6.544 -13.072 5.136 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.836 -14.008 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.512 -12.219 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.616 -13.064 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.594 -14.384 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.402 -14.163 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.411 -15.577 8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.605 -15.797 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.388 -16.877 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.126 -16.600 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.869 -18.846 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.032 -18.011 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.287 -18.280 7.541 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.218 -11.981 6.593 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.039 -10.793 6.713 1.00 0.00 C ATOM 1126 C GLY A 70 -11.532 -10.268 5.380 1.00 0.00 C ATOM 1127 O GLY A 70 -12.271 -10.952 4.669 1.00 0.00 O ATOM 0 H GLY A 70 -10.731 -12.861 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.897 -11.015 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.466 -10.013 7.213 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.100 -9.061 5.035 1.00 0.00 N ATOM 1132 CA GLU A 71 -11.578 -8.372 3.838 1.00 0.00 C ATOM 1133 C GLU A 71 -10.772 -8.780 2.606 1.00 0.00 C ATOM 1134 O GLU A 71 -10.961 -8.227 1.522 1.00 0.00 O ATOM 1135 CB GLU A 71 -11.459 -6.859 4.040 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.146 -6.349 5.297 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.655 -6.383 5.196 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -14.264 -7.409 5.557 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -14.245 -5.370 4.769 1.00 0.00 O ATOM 0 H GLU A 71 -10.412 -8.533 5.572 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.619 -8.651 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.404 -6.590 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.885 -6.352 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.830 -6.952 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.823 -5.327 5.493 1.00 0.00 H new ATOM 1146 N GLY A 72 -9.894 -9.760 2.777 1.00 0.00 N ATOM 1147 CA GLY A 72 -8.957 -10.129 1.729 1.00 0.00 C ATOM 1148 C GLY A 72 -9.622 -10.562 0.442 1.00 0.00 C ATOM 1149 O GLY A 72 -9.371 -9.980 -0.617 1.00 0.00 O ATOM 0 H GLY A 72 -9.813 -10.312 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.304 -9.281 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.323 -10.939 2.090 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.471 -11.573 0.528 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.145 -12.107 -0.651 1.00 0.00 C ATOM 1155 C VAL A 73 -11.996 -11.040 -1.329 1.00 0.00 C ATOM 1156 O VAL A 73 -12.126 -11.021 -2.553 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.027 -13.329 -0.309 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -11.174 -14.486 0.180 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -13.085 -12.975 0.726 1.00 0.00 C ATOM 0 H VAL A 73 -10.712 -12.043 1.401 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.362 -12.430 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.538 -13.635 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.814 -15.336 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.465 -14.770 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.629 -14.184 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.689 -13.856 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.600 -12.631 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.725 -12.184 0.336 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.545 -10.135 -0.531 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.411 -9.092 -1.050 1.00 0.00 C ATOM 1171 C GLU A 74 -12.608 -8.008 -1.756 1.00 0.00 C ATOM 1172 O GLU A 74 -12.952 -7.608 -2.863 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.258 -8.498 0.071 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.241 -9.496 0.658 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.205 -8.867 1.640 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.066 -8.075 1.205 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.124 -9.177 2.846 1.00 0.00 O ATOM 0 H GLU A 74 -12.404 -10.104 0.479 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.077 -9.541 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.602 -8.133 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.806 -7.637 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.806 -9.960 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.688 -10.291 1.158 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.531 -7.545 -1.127 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.677 -6.522 -1.732 1.00 0.00 C ATOM 1186 C LEU A 75 -10.015 -7.055 -2.995 1.00 0.00 C ATOM 1187 O LEU A 75 -9.861 -6.333 -3.981 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.608 -6.045 -0.743 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.148 -5.386 0.530 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.006 -4.974 1.443 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.017 -4.185 0.186 1.00 0.00 C ATOM 0 H LEU A 75 -11.229 -7.858 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.308 -5.673 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.992 -6.898 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.955 -5.336 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.764 -6.114 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.409 -4.508 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.426 -5.854 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.363 -4.264 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.391 -3.731 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.426 -3.454 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.858 -4.508 -0.427 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.651 -8.329 -2.968 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.064 -8.985 -4.127 1.00 0.00 C ATOM 1205 C ARG A 76 -10.059 -8.991 -5.291 1.00 0.00 C ATOM 1206 O ARG A 76 -9.682 -8.816 -6.450 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.654 -10.412 -3.757 1.00 0.00 C ATOM 1208 CG ARG A 76 -7.852 -11.127 -4.830 1.00 0.00 C ATOM 1209 CD ARG A 76 -7.403 -12.503 -4.362 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.534 -13.382 -4.070 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.505 -14.369 -3.175 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.410 -14.588 -2.454 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -9.576 -15.132 -2.995 1.00 0.00 N ATOM 0 H ARG A 76 -9.753 -8.932 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.176 -8.436 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.067 -10.383 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.552 -10.992 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.456 -11.227 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.980 -10.528 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.778 -12.960 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.786 -12.398 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.401 -13.230 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.587 -13.999 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.393 -15.345 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.420 -14.963 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.555 -15.888 -2.310 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.336 -9.168 -4.960 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.409 -9.153 -5.948 1.00 0.00 C ATOM 1229 C LYS A 77 -12.727 -7.713 -6.373 1.00 0.00 C ATOM 1230 O LYS A 77 -13.202 -7.464 -7.483 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.655 -9.820 -5.355 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.802 -10.009 -6.338 1.00 0.00 C ATOM 1233 CD LYS A 77 -14.406 -10.903 -7.505 1.00 0.00 C ATOM 1234 CE LYS A 77 -15.607 -11.279 -8.357 1.00 0.00 C ATOM 1235 NZ LYS A 77 -16.285 -10.086 -8.928 1.00 0.00 N ATOM 0 H LYS A 77 -11.654 -9.325 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.090 -9.706 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.374 -10.794 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.008 -9.220 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.656 -10.445 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.120 -9.038 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.668 -10.390 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.931 -11.808 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.285 -11.934 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.317 -11.844 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.023 -10.392 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.719 -9.533 -8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.589 -9.497 -9.428 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.454 -6.773 -5.475 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.731 -5.358 -5.706 1.00 0.00 C ATOM 1251 C LYS A 78 -11.812 -4.767 -6.770 1.00 0.00 C ATOM 1252 O LYS A 78 -12.270 -4.122 -7.715 1.00 0.00 O ATOM 1253 CB LYS A 78 -12.560 -4.578 -4.396 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.720 -4.727 -3.429 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.990 -4.133 -4.005 1.00 0.00 C ATOM 1256 CE LYS A 78 -16.172 -4.321 -3.069 1.00 0.00 C ATOM 1257 NZ LYS A 78 -17.419 -3.742 -3.630 1.00 0.00 N ATOM 0 H LYS A 78 -12.035 -6.969 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.757 -5.275 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.646 -4.911 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.429 -3.521 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.877 -5.782 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.478 -4.234 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.841 -3.070 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.208 -4.601 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.319 -5.384 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.954 -3.852 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.202 -3.891 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.288 -2.723 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.642 -4.207 -4.533 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.522 -5.007 -6.617 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.522 -4.383 -7.472 1.00 0.00 C ATOM 1273 C TYR A 79 -9.039 -5.339 -8.557 1.00 0.00 C ATOM 1274 O TYR A 79 -8.160 -4.997 -9.351 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.350 -3.895 -6.618 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.751 -2.853 -5.592 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.362 -3.219 -4.397 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.525 -1.502 -5.822 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -9.731 -2.270 -3.465 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -8.890 -0.548 -4.893 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.491 -0.938 -3.717 1.00 0.00 C ATOM 1282 OH TYR A 79 -9.856 0.009 -2.789 1.00 0.00 O ATOM 0 H TYR A 79 -10.139 -5.631 -5.907 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.980 -3.531 -7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.903 -4.747 -6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.583 -3.477 -7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.551 -4.263 -4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.055 -1.192 -6.744 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.206 -2.571 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.705 0.498 -5.088 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.811 -0.379 -1.890 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.624 -6.533 -8.590 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.281 -7.510 -9.610 1.00 0.00 C ATOM 1294 C GLY A 80 -7.858 -8.010 -9.476 1.00 0.00 C ATOM 1295 O GLY A 80 -7.134 -8.135 -10.463 1.00 0.00 O ATOM 0 H GLY A 80 -10.333 -6.843 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.967 -8.354 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.415 -7.064 -10.596 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.463 -8.304 -8.249 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.104 -8.732 -7.964 1.00 0.00 C ATOM 1301 C VAL A 81 -5.894 -10.184 -8.380 1.00 0.00 C ATOM 1302 O VAL A 81 -6.657 -11.068 -7.987 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.769 -8.576 -6.466 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -4.340 -9.009 -6.184 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.990 -7.141 -6.015 1.00 0.00 C ATOM 0 H VAL A 81 -8.068 -8.254 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.437 -8.092 -8.541 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.439 -9.223 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.127 -8.890 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.215 -10.055 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.652 -8.393 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.748 -7.051 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.348 -6.475 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.033 -6.866 -6.174 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.876 -10.416 -9.200 1.00 0.00 N ATOM 1316 CA HIS A 82 -4.517 -11.768 -9.617 1.00 0.00 C ATOM 1317 C HIS A 82 -3.038 -12.028 -9.354 1.00 0.00 C ATOM 1318 O HIS A 82 -2.477 -13.015 -9.831 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.819 -11.984 -11.104 1.00 0.00 C ATOM 1320 CG HIS A 82 -6.277 -11.938 -11.451 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -7.129 -13.005 -11.269 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -7.030 -10.946 -11.978 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -8.340 -12.672 -11.674 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -8.307 -11.425 -12.110 1.00 0.00 N ATOM 0 H HIS A 82 -4.283 -9.684 -9.591 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.117 -12.467 -9.034 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -4.296 -11.223 -11.683 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.416 -12.950 -11.408 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.688 -9.957 -12.246 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.211 -13.311 -11.653 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.101 -10.905 -12.483 1.00 0.00 H new ATOM 1333 N ALA A 83 -2.412 -11.147 -8.586 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.987 -11.258 -8.309 1.00 0.00 C ATOM 1335 C ALA A 83 -0.720 -11.302 -6.808 1.00 0.00 C ATOM 1336 O ALA A 83 -1.643 -11.191 -6.000 1.00 0.00 O ATOM 1337 CB ALA A 83 -0.231 -10.107 -8.957 1.00 0.00 C ATOM 0 H ALA A 83 -2.868 -10.349 -8.144 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.629 -12.194 -8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.833 -10.203 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.386 -10.131 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.598 -9.161 -8.559 1.00 0.00 H new ATOM 1343 N TYR A 84 0.547 -11.451 -6.442 1.00 0.00 N ATOM 1344 CA TYR A 84 0.926 -11.596 -5.039 1.00 0.00 C ATOM 1345 C TYR A 84 1.265 -10.252 -4.388 1.00 0.00 C ATOM 1346 O TYR A 84 0.748 -9.947 -3.313 1.00 0.00 O ATOM 1347 CB TYR A 84 2.108 -12.557 -4.897 1.00 0.00 C ATOM 1348 CG TYR A 84 1.852 -13.919 -5.498 1.00 0.00 C ATOM 1349 CD1 TYR A 84 1.060 -14.850 -4.840 1.00 0.00 C ATOM 1350 CD2 TYR A 84 2.398 -14.274 -6.725 1.00 0.00 C ATOM 1351 CE1 TYR A 84 0.819 -16.095 -5.386 1.00 0.00 C ATOM 1352 CE2 TYR A 84 2.163 -15.518 -7.277 1.00 0.00 C ATOM 1353 CZ TYR A 84 1.371 -16.424 -6.604 1.00 0.00 C ATOM 1354 OH TYR A 84 1.129 -17.662 -7.150 1.00 0.00 O ATOM 0 H TYR A 84 1.330 -11.475 -7.095 1.00 0.00 H new ATOM 0 HA TYR A 84 0.061 -12.007 -4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.984 -12.117 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.346 -12.674 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.625 -14.596 -3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.016 -13.566 -7.256 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.201 -16.807 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.597 -15.780 -8.231 1.00 0.00 H new ATOM 0 HH TYR A 84 1.590 -17.735 -8.012 1.00 0.00 H new ATOM 1364 N PRO A 85 2.163 -9.436 -4.993 1.00 0.00 N ATOM 1365 CA PRO A 85 2.484 -8.117 -4.480 1.00 0.00 C ATOM 1366 C PRO A 85 1.650 -7.024 -5.147 1.00 0.00 C ATOM 1367 O PRO A 85 1.828 -6.728 -6.332 1.00 0.00 O ATOM 1368 CB PRO A 85 3.963 -7.972 -4.836 1.00 0.00 C ATOM 1369 CG PRO A 85 4.182 -8.849 -6.037 1.00 0.00 C ATOM 1370 CD PRO A 85 2.962 -9.728 -6.194 1.00 0.00 C ATOM 0 HA PRO A 85 2.275 -8.014 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.212 -6.934 -5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.597 -8.281 -4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.334 -8.243 -6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.077 -9.457 -5.908 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.414 -9.493 -7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.233 -10.782 -6.248 1.00 0.00 H new ATOM 1378 N THR A 86 0.733 -6.434 -4.396 1.00 0.00 N ATOM 1379 CA THR A 86 -0.179 -5.444 -4.952 1.00 0.00 C ATOM 1380 C THR A 86 -0.169 -4.160 -4.122 1.00 0.00 C ATOM 1381 O THR A 86 -0.186 -4.204 -2.888 1.00 0.00 O ATOM 1382 CB THR A 86 -1.614 -6.007 -5.005 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.581 -7.373 -5.445 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.485 -5.195 -5.951 1.00 0.00 C ATOM 0 H THR A 86 0.600 -6.622 -3.402 1.00 0.00 H new ATOM 0 HA THR A 86 0.159 -5.211 -5.962 1.00 0.00 H new ATOM 0 HB THR A 86 -2.040 -5.948 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.653 -7.404 -6.422 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.491 -5.614 -5.969 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.528 -4.161 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.061 -5.227 -6.954 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.136 -3.019 -4.797 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.154 -1.732 -4.120 1.00 0.00 C ATOM 1394 C LEU A 87 -1.287 -0.866 -4.660 1.00 0.00 C ATOM 1395 O LEU A 87 -1.356 -0.599 -5.859 1.00 0.00 O ATOM 1396 CB LEU A 87 1.181 -0.988 -4.284 1.00 0.00 C ATOM 1397 CG LEU A 87 2.408 -1.647 -3.635 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.947 -2.781 -4.496 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.494 -0.611 -3.382 1.00 0.00 C ATOM 0 H LEU A 87 -0.097 -2.960 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.312 -1.923 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.379 -0.870 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.069 0.013 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 87 2.096 -2.071 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.815 -3.227 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.174 -3.539 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.239 -2.391 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.357 -1.093 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.793 -0.159 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.112 0.162 -2.715 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.185 -0.444 -3.782 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.290 0.418 -4.183 1.00 0.00 C ATOM 1413 C LEU A 88 -3.202 1.774 -3.498 1.00 0.00 C ATOM 1414 O LEU A 88 -3.104 1.861 -2.274 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.647 -0.228 -3.877 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.215 -1.138 -4.973 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -5.220 -0.422 -6.315 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -4.440 -2.441 -5.066 1.00 0.00 C ATOM 0 H LEU A 88 -2.172 -0.683 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.210 0.560 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.553 -0.810 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.369 0.564 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.243 -1.380 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.627 -1.084 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.836 0.475 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.201 -0.142 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.868 -3.063 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.397 -2.228 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.499 -2.968 -4.114 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.220 2.824 -4.302 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.219 4.183 -3.786 1.00 0.00 C ATOM 1432 C PHE A 89 -4.631 4.753 -3.856 1.00 0.00 C ATOM 1433 O PHE A 89 -5.146 5.032 -4.942 1.00 0.00 O ATOM 1434 CB PHE A 89 -2.245 5.050 -4.590 1.00 0.00 C ATOM 1435 CG PHE A 89 -0.877 4.442 -4.716 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.008 4.423 -3.639 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -0.467 3.880 -5.913 1.00 0.00 C ATOM 1438 CE1 PHE A 89 1.246 3.857 -3.755 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.786 3.313 -6.036 1.00 0.00 C ATOM 1440 CZ PHE A 89 1.643 3.301 -4.955 1.00 0.00 C ATOM 0 H PHE A 89 -3.236 2.761 -5.320 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.892 4.177 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.655 5.217 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.159 6.026 -4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.314 4.855 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.136 3.885 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.916 3.849 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.094 2.880 -6.976 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.623 2.857 -5.047 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.262 4.899 -2.702 1.00 0.00 N ATOM 1451 CA ILE A 90 -6.654 5.325 -2.639 1.00 0.00 C ATOM 1452 C ILE A 90 -6.762 6.738 -2.064 1.00 0.00 C ATOM 1453 O ILE A 90 -6.022 7.101 -1.150 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.488 4.339 -1.783 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -7.435 2.930 -2.385 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -8.934 4.803 -1.656 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -7.972 2.849 -3.799 1.00 0.00 C ATOM 0 H ILE A 90 -4.832 4.729 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.051 5.331 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.052 4.314 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.403 2.580 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.005 2.252 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.493 4.090 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.961 5.783 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.384 4.868 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.902 1.822 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.015 3.167 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.387 3.500 -4.448 1.00 0.00 H new ATOM 1469 N ASN A 91 -7.671 7.534 -2.617 1.00 0.00 N ATOM 1470 CA ASN A 91 -7.882 8.901 -2.148 1.00 0.00 C ATOM 1471 C ASN A 91 -8.626 8.888 -0.823 1.00 0.00 C ATOM 1472 O ASN A 91 -9.138 7.854 -0.391 1.00 0.00 O ATOM 1473 CB ASN A 91 -8.691 9.705 -3.172 1.00 0.00 C ATOM 1474 CG ASN A 91 -8.458 11.209 -3.107 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -8.058 11.756 -2.082 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -8.737 11.890 -4.205 1.00 0.00 N ATOM 0 H ASN A 91 -8.274 7.257 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.907 9.370 -2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.442 9.353 -4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.752 9.506 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.622 12.903 -4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.067 11.402 -5.038 1.00 0.00 H new ATOM 1483 N SER A 92 -8.730 10.051 -0.221 1.00 0.00 N ATOM 1484 CA SER A 92 -9.367 10.204 1.079 1.00 0.00 C ATOM 1485 C SER A 92 -10.882 10.050 0.954 1.00 0.00 C ATOM 1486 O SER A 92 -11.589 9.840 1.940 1.00 0.00 O ATOM 1487 CB SER A 92 -9.015 11.574 1.651 1.00 0.00 C ATOM 1488 OG SER A 92 -7.632 11.845 1.482 1.00 0.00 O ATOM 0 H SER A 92 -8.376 10.923 -0.615 1.00 0.00 H new ATOM 0 HA SER A 92 -9.004 9.427 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.605 12.344 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.271 11.609 2.710 1.00 0.00 H new ATOM 0 HG SER A 92 -7.132 11.478 2.241 1.00 0.00 H new ATOM 1494 N SER A 93 -11.369 10.142 -0.276 1.00 0.00 N ATOM 1495 CA SER A 93 -12.790 10.008 -0.553 1.00 0.00 C ATOM 1496 C SER A 93 -13.134 8.564 -0.913 1.00 0.00 C ATOM 1497 O SER A 93 -14.264 8.263 -1.298 1.00 0.00 O ATOM 1498 CB SER A 93 -13.175 10.936 -1.703 1.00 0.00 C ATOM 1499 OG SER A 93 -12.575 12.210 -1.547 1.00 0.00 O ATOM 0 H SER A 93 -10.795 10.310 -1.102 1.00 0.00 H new ATOM 0 HA SER A 93 -13.350 10.283 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.863 10.496 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.259 11.042 -1.742 1.00 0.00 H new ATOM 0 HG SER A 93 -12.834 12.787 -2.295 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.151 7.676 -0.786 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.347 6.288 -1.163 1.00 0.00 C ATOM 1507 C GLY A 94 -12.298 6.097 -2.666 1.00 0.00 C ATOM 1508 O GLY A 94 -12.884 5.160 -3.206 1.00 0.00 O ATOM 0 H GLY A 94 -11.221 7.894 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.579 5.673 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.309 5.941 -0.784 1.00 0.00 H new ATOM 1512 N GLU A 95 -11.585 6.994 -3.333 1.00 0.00 N ATOM 1513 CA GLU A 95 -11.500 6.996 -4.787 1.00 0.00 C ATOM 1514 C GLU A 95 -10.234 6.290 -5.262 1.00 0.00 C ATOM 1515 O GLU A 95 -9.200 6.336 -4.592 1.00 0.00 O ATOM 1516 CB GLU A 95 -11.507 8.435 -5.301 1.00 0.00 C ATOM 1517 CG GLU A 95 -12.760 9.213 -4.935 1.00 0.00 C ATOM 1518 CD GLU A 95 -13.982 8.730 -5.683 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -14.133 9.087 -6.868 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -14.798 7.994 -5.091 1.00 0.00 O ATOM 0 H GLU A 95 -11.051 7.738 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.363 6.459 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.637 8.957 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.402 8.424 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.937 9.127 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.602 10.270 -5.148 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.316 5.647 -6.418 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.171 4.948 -6.990 1.00 0.00 C ATOM 1529 C VAL A 96 -8.256 5.927 -7.724 1.00 0.00 C ATOM 1530 O VAL A 96 -8.605 6.447 -8.788 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.617 3.829 -7.959 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.415 3.108 -8.557 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.529 2.842 -7.248 1.00 0.00 C ATOM 0 H VAL A 96 -11.165 5.594 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.624 4.491 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.172 4.292 -8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.759 2.327 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.800 3.820 -9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.824 2.661 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.834 2.061 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.996 2.393 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.412 3.363 -6.879 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.093 6.188 -7.143 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.144 7.125 -7.726 1.00 0.00 C ATOM 1545 C VAL A 97 -5.238 6.424 -8.735 1.00 0.00 C ATOM 1546 O VAL A 97 -5.180 6.808 -9.902 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.278 7.803 -6.642 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -4.290 8.776 -7.269 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -6.156 8.515 -5.627 1.00 0.00 C ATOM 0 H VAL A 97 -6.784 5.764 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.725 7.893 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.711 7.028 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.691 9.241 -6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.636 8.238 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.835 9.546 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.529 8.987 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.751 9.276 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.819 7.793 -5.150 1.00 0.00 H new ATOM 1559 N TYR A 98 -4.548 5.387 -8.280 1.00 0.00 N ATOM 1560 CA TYR A 98 -3.605 4.666 -9.124 1.00 0.00 C ATOM 1561 C TYR A 98 -3.464 3.230 -8.635 1.00 0.00 C ATOM 1562 O TYR A 98 -3.233 2.991 -7.448 1.00 0.00 O ATOM 1563 CB TYR A 98 -2.242 5.372 -9.100 1.00 0.00 C ATOM 1564 CG TYR A 98 -1.287 4.951 -10.200 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -1.403 5.481 -11.480 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.261 4.043 -9.958 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -0.527 5.119 -12.486 1.00 0.00 C ATOM 1568 CE2 TYR A 98 0.622 3.680 -10.961 1.00 0.00 C ATOM 1569 CZ TYR A 98 0.483 4.219 -12.223 1.00 0.00 C ATOM 1570 OH TYR A 98 1.364 3.868 -13.223 1.00 0.00 O ATOM 0 H TYR A 98 -4.624 5.026 -7.329 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.977 4.652 -10.148 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.405 6.447 -9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.769 5.185 -8.136 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.191 6.188 -11.692 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.152 3.615 -8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.634 5.540 -13.475 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.416 2.978 -10.756 1.00 0.00 H new ATOM 0 HH TYR A 98 2.016 3.225 -12.874 1.00 0.00 H new ATOM 1580 N ARG A 99 -3.641 2.279 -9.539 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.476 0.872 -9.202 1.00 0.00 C ATOM 1582 C ARG A 99 -2.069 0.419 -9.572 1.00 0.00 C ATOM 1583 O ARG A 99 -1.501 0.891 -10.557 1.00 0.00 O ATOM 1584 CB ARG A 99 -4.523 0.010 -9.922 1.00 0.00 C ATOM 1585 CG ARG A 99 -4.300 -0.112 -11.423 1.00 0.00 C ATOM 1586 CD ARG A 99 -5.411 -0.903 -12.089 1.00 0.00 C ATOM 1587 NE ARG A 99 -6.683 -0.188 -12.058 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.873 -0.781 -11.990 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.959 -2.101 -11.882 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -8.980 -0.054 -12.008 1.00 0.00 N ATOM 0 H ARG A 99 -3.898 2.454 -10.510 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.622 0.750 -8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.521 -0.988 -9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.511 0.434 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.245 0.883 -11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.343 -0.598 -11.611 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.138 -1.113 -13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.523 -1.864 -11.588 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.659 0.831 -12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.111 -2.666 -11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.873 -2.550 -11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.922 0.962 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.891 -0.510 -11.956 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.502 -0.476 -8.783 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.158 -0.961 -9.044 1.00 0.00 C ATOM 1606 C LEU A 100 -0.089 -2.473 -8.868 1.00 0.00 C ATOM 1607 O LEU A 100 -0.157 -2.989 -7.749 1.00 0.00 O ATOM 1608 CB LEU A 100 0.844 -0.268 -8.117 1.00 0.00 C ATOM 1609 CG LEU A 100 2.316 -0.483 -8.471 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.636 0.136 -9.822 1.00 0.00 C ATOM 1611 CD2 LEU A 100 3.212 0.100 -7.389 1.00 0.00 C ATOM 0 H LEU A 100 -1.948 -0.880 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 100 0.100 -0.725 -10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.639 0.802 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.677 -0.620 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 100 2.504 -1.555 -8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.688 -0.027 -10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.017 -0.327 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.433 1.206 -9.789 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.257 -0.061 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.022 1.169 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.001 -0.390 -6.438 1.00 0.00 H new ATOM 1623 N VAL A 101 0.025 -3.175 -9.984 1.00 0.00 N ATOM 1624 CA VAL A 101 0.155 -4.622 -9.974 1.00 0.00 C ATOM 1625 C VAL A 101 1.614 -5.003 -10.184 1.00 0.00 C ATOM 1626 O VAL A 101 2.153 -4.849 -11.282 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.715 -5.278 -11.071 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -0.571 -6.793 -11.052 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -2.175 -4.880 -10.906 1.00 0.00 C ATOM 0 H VAL A 101 0.030 -2.761 -10.916 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.192 -4.986 -9.007 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.364 -4.917 -12.038 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.194 -7.228 -11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.471 -7.062 -11.227 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.887 -7.176 -10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.771 -5.352 -11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.533 -5.206 -9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.268 -3.797 -10.983 1.00 0.00 H new ATOM 1639 N GLY A 102 2.250 -5.481 -9.127 1.00 0.00 N ATOM 1640 CA GLY A 102 3.664 -5.780 -9.188 1.00 0.00 C ATOM 1641 C GLY A 102 4.489 -4.618 -8.682 1.00 0.00 C ATOM 1642 O GLY A 102 4.125 -3.459 -8.885 1.00 0.00 O ATOM 0 H GLY A 102 1.811 -5.668 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.877 -6.668 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.946 -6.010 -10.215 1.00 0.00 H new ATOM 1646 N ALA A 103 5.592 -4.913 -8.019 1.00 0.00 N ATOM 1647 CA ALA A 103 6.409 -3.871 -7.426 1.00 0.00 C ATOM 1648 C ALA A 103 7.832 -3.910 -7.960 1.00 0.00 C ATOM 1649 O ALA A 103 8.430 -4.982 -8.105 1.00 0.00 O ATOM 1650 CB ALA A 103 6.407 -4.001 -5.912 1.00 0.00 C ATOM 0 H ALA A 103 5.941 -5.861 -7.878 1.00 0.00 H new ATOM 0 HA ALA A 103 5.978 -2.908 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.024 -3.214 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.386 -3.909 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.810 -4.974 -5.630 1.00 0.00 H new ATOM 1656 N GLU A 104 8.362 -2.737 -8.262 1.00 0.00 N ATOM 1657 CA GLU A 104 9.737 -2.602 -8.712 1.00 0.00 C ATOM 1658 C GLU A 104 10.633 -2.242 -7.532 1.00 0.00 C ATOM 1659 O GLU A 104 10.172 -2.200 -6.389 1.00 0.00 O ATOM 1660 CB GLU A 104 9.823 -1.533 -9.802 1.00 0.00 C ATOM 1661 CG GLU A 104 8.991 -1.863 -11.031 1.00 0.00 C ATOM 1662 CD GLU A 104 8.785 -0.669 -11.936 1.00 0.00 C ATOM 1663 OE1 GLU A 104 7.833 0.104 -11.698 1.00 0.00 O ATOM 1664 OE2 GLU A 104 9.566 -0.495 -12.892 1.00 0.00 O ATOM 0 H GLU A 104 7.854 -1.855 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 104 10.077 -3.550 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.492 -0.578 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.864 -1.409 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.480 -2.659 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.020 -2.246 -10.715 1.00 0.00 H new ATOM 1671 N ASP A 105 11.908 -2.002 -7.801 1.00 0.00 N ATOM 1672 CA ASP A 105 12.850 -1.632 -6.748 1.00 0.00 C ATOM 1673 C ASP A 105 12.584 -0.218 -6.249 1.00 0.00 C ATOM 1674 O ASP A 105 11.840 0.539 -6.877 1.00 0.00 O ATOM 1675 CB ASP A 105 14.298 -1.760 -7.228 1.00 0.00 C ATOM 1676 CG ASP A 105 14.758 -3.200 -7.288 1.00 0.00 C ATOM 1677 OD1 ASP A 105 15.164 -3.746 -6.237 1.00 0.00 O ATOM 1678 OD2 ASP A 105 14.706 -3.798 -8.381 1.00 0.00 O ATOM 0 H ASP A 105 12.315 -2.056 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 105 12.702 -2.325 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.392 -1.309 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.951 -1.200 -6.559 1.00 0.00 H new ATOM 1683 N ALA A 106 13.231 0.135 -5.139 1.00 0.00 N ATOM 1684 CA ALA A 106 12.960 1.385 -4.420 1.00 0.00 C ATOM 1685 C ALA A 106 12.881 2.624 -5.330 1.00 0.00 C ATOM 1686 O ALA A 106 11.885 3.349 -5.278 1.00 0.00 O ATOM 1687 CB ALA A 106 13.987 1.595 -3.313 1.00 0.00 C ATOM 0 H ALA A 106 13.959 -0.436 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 106 11.968 1.273 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.772 2.526 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.939 0.764 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.985 1.645 -3.748 1.00 0.00 H new ATOM 1693 N PRO A 107 13.902 2.901 -6.177 1.00 0.00 N ATOM 1694 CA PRO A 107 13.905 4.103 -7.025 1.00 0.00 C ATOM 1695 C PRO A 107 12.717 4.154 -7.982 1.00 0.00 C ATOM 1696 O PRO A 107 12.004 5.156 -8.049 1.00 0.00 O ATOM 1697 CB PRO A 107 15.213 3.996 -7.818 1.00 0.00 C ATOM 1698 CG PRO A 107 16.065 3.054 -7.040 1.00 0.00 C ATOM 1699 CD PRO A 107 15.119 2.090 -6.387 1.00 0.00 C ATOM 0 HA PRO A 107 13.828 5.008 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.033 3.623 -8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.693 4.969 -7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.767 2.533 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.657 3.586 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.923 1.226 -7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.517 1.710 -5.446 1.00 0.00 H new ATOM 1707 N GLU A 108 12.497 3.065 -8.706 1.00 0.00 N ATOM 1708 CA GLU A 108 11.457 3.024 -9.719 1.00 0.00 C ATOM 1709 C GLU A 108 10.067 2.933 -9.097 1.00 0.00 C ATOM 1710 O GLU A 108 9.086 3.363 -9.700 1.00 0.00 O ATOM 1711 CB GLU A 108 11.706 1.861 -10.674 1.00 0.00 C ATOM 1712 CG GLU A 108 13.003 2.001 -11.450 1.00 0.00 C ATOM 1713 CD GLU A 108 13.129 1.002 -12.579 1.00 0.00 C ATOM 1714 OE1 GLU A 108 12.682 1.313 -13.704 1.00 0.00 O ATOM 1715 OE2 GLU A 108 13.699 -0.085 -12.357 1.00 0.00 O ATOM 0 H GLU A 108 13.027 2.199 -8.609 1.00 0.00 H new ATOM 0 HA GLU A 108 11.494 3.957 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.726 0.930 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.875 1.789 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.069 3.010 -11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.843 1.877 -10.767 1.00 0.00 H new ATOM 1722 N LEU A 109 9.986 2.378 -7.891 1.00 0.00 N ATOM 1723 CA LEU A 109 8.726 2.337 -7.153 1.00 0.00 C ATOM 1724 C LEU A 109 8.308 3.747 -6.770 1.00 0.00 C ATOM 1725 O LEU A 109 7.168 4.162 -6.994 1.00 0.00 O ATOM 1726 CB LEU A 109 8.874 1.494 -5.886 1.00 0.00 C ATOM 1727 CG LEU A 109 7.580 1.267 -5.100 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.592 0.456 -5.918 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.875 0.580 -3.778 1.00 0.00 C ATOM 0 H LEU A 109 10.775 1.952 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 109 7.966 1.888 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.289 0.524 -6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.599 1.976 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 109 7.130 2.237 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.679 0.306 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.356 0.991 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.030 -0.512 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.944 0.426 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.348 -0.384 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.544 1.203 -3.185 1.00 0.00 H new ATOM 1741 N LEU A 110 9.257 4.474 -6.194 1.00 0.00 N ATOM 1742 CA LEU A 110 9.049 5.865 -5.797 1.00 0.00 C ATOM 1743 C LEU A 110 8.649 6.715 -7.000 1.00 0.00 C ATOM 1744 O LEU A 110 7.856 7.650 -6.882 1.00 0.00 O ATOM 1745 CB LEU A 110 10.327 6.426 -5.167 1.00 0.00 C ATOM 1746 CG LEU A 110 10.227 7.859 -4.640 1.00 0.00 C ATOM 1747 CD1 LEU A 110 9.228 7.939 -3.498 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.593 8.358 -4.195 1.00 0.00 C ATOM 0 H LEU A 110 10.191 4.119 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 110 8.242 5.897 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.622 5.775 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.125 6.385 -5.908 1.00 0.00 H new ATOM 0 HG LEU A 110 9.874 8.500 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.170 8.966 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.246 7.623 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.550 7.286 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.504 9.379 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.975 7.715 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.281 8.339 -5.041 1.00 0.00 H new ATOM 1760 N LYS A 111 9.201 6.381 -8.156 1.00 0.00 N ATOM 1761 CA LYS A 111 8.890 7.096 -9.380 1.00 0.00 C ATOM 1762 C LYS A 111 7.440 6.850 -9.794 1.00 0.00 C ATOM 1763 O LYS A 111 6.724 7.782 -10.150 1.00 0.00 O ATOM 1764 CB LYS A 111 9.834 6.661 -10.500 1.00 0.00 C ATOM 1765 CG LYS A 111 9.723 7.513 -11.751 1.00 0.00 C ATOM 1766 CD LYS A 111 10.618 6.992 -12.856 1.00 0.00 C ATOM 1767 CE LYS A 111 10.633 7.934 -14.045 1.00 0.00 C ATOM 1768 NZ LYS A 111 11.445 7.396 -15.165 1.00 0.00 N ATOM 0 H LYS A 111 9.868 5.618 -8.270 1.00 0.00 H new ATOM 0 HA LYS A 111 9.023 8.162 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.860 6.699 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.625 5.623 -10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.688 7.525 -12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.993 8.543 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.632 6.866 -12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.272 6.008 -13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.612 8.105 -14.386 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.033 8.900 -13.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.431 8.068 -15.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.425 7.256 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.049 6.486 -15.475 1.00 0.00 H new ATOM 1782 N LYS A 112 7.012 5.595 -9.717 1.00 0.00 N ATOM 1783 CA LYS A 112 5.672 5.212 -10.156 1.00 0.00 C ATOM 1784 C LYS A 112 4.583 5.838 -9.289 1.00 0.00 C ATOM 1785 O LYS A 112 3.572 6.313 -9.808 1.00 0.00 O ATOM 1786 CB LYS A 112 5.531 3.688 -10.174 1.00 0.00 C ATOM 1787 CG LYS A 112 6.304 3.024 -11.304 1.00 0.00 C ATOM 1788 CD LYS A 112 5.771 3.447 -12.666 1.00 0.00 C ATOM 1789 CE LYS A 112 6.610 2.883 -13.805 1.00 0.00 C ATOM 1790 NZ LYS A 112 6.664 1.400 -13.782 1.00 0.00 N ATOM 0 H LYS A 112 7.573 4.824 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 112 5.540 5.594 -11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.878 3.287 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.476 3.429 -10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.359 3.286 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.236 1.941 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.740 3.110 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.758 4.535 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.196 3.215 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.622 3.283 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.159 1.057 -14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.174 1.084 -12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.697 1.018 -13.768 1.00 0.00 H new ATOM 1804 N VAL A 113 4.783 5.851 -7.975 1.00 0.00 N ATOM 1805 CA VAL A 113 3.801 6.450 -7.077 1.00 0.00 C ATOM 1806 C VAL A 113 3.716 7.960 -7.307 1.00 0.00 C ATOM 1807 O VAL A 113 2.627 8.533 -7.327 1.00 0.00 O ATOM 1808 CB VAL A 113 4.095 6.140 -5.585 1.00 0.00 C ATOM 1809 CG1 VAL A 113 5.485 6.596 -5.175 1.00 0.00 C ATOM 1810 CG2 VAL A 113 3.042 6.773 -4.683 1.00 0.00 C ATOM 0 H VAL A 113 5.604 5.460 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 113 2.836 5.999 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 113 4.054 5.057 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.650 6.360 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.230 6.083 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.573 7.672 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.268 6.542 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.044 7.854 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.059 6.376 -4.937 1.00 0.00 H new ATOM 1820 N LYS A 114 4.864 8.592 -7.521 1.00 0.00 N ATOM 1821 CA LYS A 114 4.913 10.022 -7.784 1.00 0.00 C ATOM 1822 C LYS A 114 4.242 10.341 -9.117 1.00 0.00 C ATOM 1823 O LYS A 114 3.446 11.270 -9.218 1.00 0.00 O ATOM 1824 CB LYS A 114 6.357 10.511 -7.815 1.00 0.00 C ATOM 1825 CG LYS A 114 6.476 12.023 -7.791 1.00 0.00 C ATOM 1826 CD LYS A 114 7.815 12.482 -8.327 1.00 0.00 C ATOM 1827 CE LYS A 114 8.982 11.908 -7.537 1.00 0.00 C ATOM 1828 NZ LYS A 114 10.285 12.286 -8.140 1.00 0.00 N ATOM 0 H LYS A 114 5.775 8.133 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 114 4.380 10.532 -6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.892 10.097 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.844 10.129 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.675 12.462 -8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.349 12.383 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.906 12.186 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.861 13.571 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.938 12.267 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.898 10.822 -7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.059 11.879 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.336 11.922 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.374 13.322 -8.153 1.00 0.00 H new ATOM 1842 N LEU A 115 4.570 9.546 -10.130 1.00 0.00 N ATOM 1843 CA LEU A 115 4.060 9.748 -11.484 1.00 0.00 C ATOM 1844 C LEU A 115 2.540 9.572 -11.539 1.00 0.00 C ATOM 1845 O LEU A 115 1.857 10.195 -12.355 1.00 0.00 O ATOM 1846 CB LEU A 115 4.733 8.758 -12.439 1.00 0.00 C ATOM 1847 CG LEU A 115 4.477 8.996 -13.926 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.119 10.297 -14.377 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.005 7.830 -14.745 1.00 0.00 C ATOM 0 H LEU A 115 5.195 8.745 -10.037 1.00 0.00 H new ATOM 0 HA LEU A 115 4.292 10.769 -11.787 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.809 8.787 -12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.396 7.752 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 115 3.401 9.073 -14.084 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.926 10.449 -15.439 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.698 11.127 -13.809 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.195 10.250 -14.207 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.816 8.013 -15.803 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.078 7.726 -14.581 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.501 6.913 -14.440 1.00 0.00 H new ATOM 1861 N GLY A 116 2.018 8.714 -10.671 1.00 0.00 N ATOM 1862 CA GLY A 116 0.589 8.478 -10.630 1.00 0.00 C ATOM 1863 C GLY A 116 -0.174 9.625 -9.993 1.00 0.00 C ATOM 1864 O GLY A 116 -1.199 10.067 -10.514 1.00 0.00 O ATOM 0 H GLY A 116 2.560 8.177 -9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.221 8.321 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.392 7.562 -10.074 1.00 0.00 H new ATOM 1868 N VAL A 117 0.331 10.117 -8.869 1.00 0.00 N ATOM 1869 CA VAL A 117 -0.338 11.187 -8.141 1.00 0.00 C ATOM 1870 C VAL A 117 -0.144 12.530 -8.847 1.00 0.00 C ATOM 1871 O VAL A 117 -1.091 13.310 -8.986 1.00 0.00 O ATOM 1872 CB VAL A 117 0.173 11.290 -6.686 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -0.578 12.368 -5.917 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.048 9.950 -5.975 1.00 0.00 C ATOM 0 H VAL A 117 1.199 9.793 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.400 10.943 -8.118 1.00 0.00 H new ATOM 0 HB VAL A 117 1.226 11.568 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.198 12.419 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.434 13.331 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.641 12.127 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.413 10.045 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.998 9.642 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.639 9.201 -6.503 1.00 0.00 H new ATOM 1884 N GLU A 118 1.076 12.790 -9.303 1.00 0.00 N ATOM 1885 CA GLU A 118 1.379 14.029 -10.003 1.00 0.00 C ATOM 1886 C GLU A 118 0.745 14.005 -11.391 1.00 0.00 C ATOM 1887 O GLU A 118 1.073 13.156 -12.223 1.00 0.00 O ATOM 1888 CB GLU A 118 2.895 14.223 -10.103 1.00 0.00 C ATOM 1889 CG GLU A 118 3.316 15.591 -10.615 1.00 0.00 C ATOM 1890 CD GLU A 118 4.822 15.745 -10.675 1.00 0.00 C ATOM 1891 OE1 GLU A 118 5.434 16.076 -9.637 1.00 0.00 O ATOM 1892 OE2 GLU A 118 5.403 15.529 -11.759 1.00 0.00 O ATOM 0 H GLU A 118 1.870 12.158 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 118 0.964 14.868 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.336 14.064 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.305 13.459 -10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.897 15.749 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.900 16.363 -9.967 1.00 0.00 H new ATOM 1899 N SER A 119 -0.177 14.922 -11.629 1.00 0.00 N ATOM 1900 CA SER A 119 -0.905 14.960 -12.886 1.00 0.00 C ATOM 1901 C SER A 119 -0.065 15.568 -14.006 1.00 0.00 C ATOM 1902 O SER A 119 0.222 16.765 -14.011 1.00 0.00 O ATOM 1903 CB SER A 119 -2.210 15.736 -12.713 1.00 0.00 C ATOM 1904 OG SER A 119 -3.030 15.127 -11.726 1.00 0.00 O ATOM 0 H SER A 119 -0.440 15.652 -10.967 1.00 0.00 H new ATOM 0 HA SER A 119 -1.135 13.933 -13.171 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.992 16.765 -12.427 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.744 15.775 -13.662 1.00 0.00 H new ATOM 0 HG SER A 119 -3.860 15.639 -11.629 1.00 0.00 H new ATOM 1910 N GLU A 120 0.343 14.717 -14.933 1.00 0.00 N ATOM 1911 CA GLU A 120 1.052 15.143 -16.129 1.00 0.00 C ATOM 1912 C GLU A 120 0.923 14.055 -17.186 1.00 0.00 C ATOM 1913 O GLU A 120 0.487 14.310 -18.308 1.00 0.00 O ATOM 1914 CB GLU A 120 2.525 15.435 -15.819 1.00 0.00 C ATOM 1915 CG GLU A 120 3.308 15.972 -17.007 1.00 0.00 C ATOM 1916 CD GLU A 120 2.702 17.234 -17.591 1.00 0.00 C ATOM 1917 OE1 GLU A 120 2.855 18.314 -16.983 1.00 0.00 O ATOM 1918 OE2 GLU A 120 2.065 17.154 -18.661 1.00 0.00 O ATOM 0 H GLU A 120 0.192 13.710 -14.878 1.00 0.00 H new ATOM 0 HA GLU A 120 0.613 16.068 -16.503 1.00 0.00 H new ATOM 0 HB2 GLU A 120 2.579 16.157 -15.004 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.001 14.520 -15.466 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.333 16.177 -16.698 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.355 15.206 -17.781 1.00 0.00 H new ATOM 1925 N GLY A 121 1.290 12.837 -16.816 1.00 0.00 N ATOM 1926 CA GLY A 121 1.053 11.698 -17.674 1.00 0.00 C ATOM 1927 C GLY A 121 2.171 10.682 -17.603 1.00 0.00 C ATOM 1928 O GLY A 121 1.876 9.470 -17.611 1.00 0.00 O ATOM 0 H GLY A 121 1.750 12.618 -15.932 1.00 0.00 H new ATOM 0 HA2 GLY A 121 0.114 11.222 -17.391 1.00 0.00 H new ATOM 0 HA3 GLY A 121 0.940 12.039 -18.703 1.00 0.00 H new TER 1932 GLY A 121