USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 953 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 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 MET CE :methyl -172:sc= -0.0117 (180deg=-0.0207) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 22 MET CE :methyl 164:sc= -1.43 (180deg=-1.7!) USER MOD Set 3.2: A 104 ASN : amide:sc= -0.368 K(o=-1.8,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.28 (180deg=0.41) USER MOD Single : A 6 GLN :FLIP amide:sc=-0.00994 F(o=-0.59,f=-0.0099) USER MOD Single : A 14 CYS SG : rot 48:sc= -6.08! USER MOD Single : A 18 HIS : no HE2:sc=-0.00301 X(o=-0.003,f=-0.15) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 39:sc= -0.792 USER MOD Single : A 40 SER OG : rot 1:sc= -1.15! USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0866 F(o=-1.2,f=-0.087) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0841 (180deg=-0.488) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.143 USER MOD Single : A 51 GLN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -105:sc= 1.2 (180deg=-0.745) USER MOD Single : A 59 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.111 USER MOD Single : A 73 ASN : amide:sc= -0.411 X(o=-0.41,f=0.011) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.16) USER MOD Single : A 76 CYS SG : rot 68:sc= 0.336 USER MOD Single : A 80 HIS : no HE2:sc= 0.254 K(o=0.25,f=-4.7!) USER MOD Single : A 81 TYR OH : rot 26:sc= 1.22 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.102) USER MOD Single : A 86 SER OG : rot 180:sc= 0.171 USER MOD Single : A 87 SER OG : rot -160:sc= -1.78! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.388 K(o=-0.39,f=-4.1!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 1.7 (180deg=1.54) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0167) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 153:sc= 1.21 (180deg=-0.974) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.130 12.407 -6.540 1.00 0.00 N ATOM 2 CA MET A 1 -13.151 12.667 -5.452 1.00 0.00 C ATOM 3 C MET A 1 -13.792 13.504 -4.357 1.00 0.00 C ATOM 4 O MET A 1 -14.433 14.520 -4.627 1.00 0.00 O ATOM 5 CB MET A 1 -11.889 13.356 -5.999 1.00 0.00 C ATOM 6 CG MET A 1 -12.105 14.775 -6.520 1.00 0.00 C ATOM 7 SD MET A 1 -13.145 14.834 -7.990 1.00 0.00 S ATOM 8 CE MET A 1 -12.300 16.080 -8.961 1.00 0.00 C ATOM 0 H1 MET A 1 -13.876 11.527 -7.033 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.083 12.314 -6.134 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.117 13.198 -7.215 1.00 0.00 H new ATOM 0 HA MET A 1 -12.849 11.710 -5.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.138 13.385 -5.210 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.481 12.747 -6.805 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.560 15.379 -5.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.138 15.224 -6.747 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.828 16.227 -9.903 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.277 17.019 -8.408 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.280 15.753 -9.164 1.00 0.00 H new ATOM 18 N VAL A 2 -13.632 13.072 -3.116 1.00 0.00 N ATOM 19 CA VAL A 2 -14.223 13.783 -1.994 1.00 0.00 C ATOM 20 C VAL A 2 -13.339 13.768 -0.755 1.00 0.00 C ATOM 21 O VAL A 2 -12.657 12.785 -0.462 1.00 0.00 O ATOM 22 CB VAL A 2 -15.596 13.209 -1.589 1.00 0.00 C ATOM 23 CG1 VAL A 2 -16.704 13.728 -2.492 1.00 0.00 C ATOM 24 CG2 VAL A 2 -15.574 11.685 -1.586 1.00 0.00 C ATOM 0 H VAL A 2 -13.102 12.239 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 2 -14.337 14.806 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.805 13.549 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.658 13.304 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.750 14.815 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.499 13.438 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.555 11.308 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.325 11.323 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.826 11.333 -0.875 1.00 0.00 H new ATOM 34 N ASP A 3 -13.371 14.897 -0.063 1.00 0.00 N ATOM 35 CA ASP A 3 -12.659 15.119 1.199 1.00 0.00 C ATOM 36 C ASP A 3 -11.201 14.697 1.151 1.00 0.00 C ATOM 37 O ASP A 3 -10.684 14.053 2.062 1.00 0.00 O ATOM 38 CB ASP A 3 -13.394 14.445 2.353 1.00 0.00 C ATOM 39 CG ASP A 3 -14.673 15.184 2.695 1.00 0.00 C ATOM 40 OD1 ASP A 3 -14.732 16.415 2.456 1.00 0.00 O ATOM 41 OD2 ASP A 3 -15.630 14.545 3.174 1.00 0.00 O ATOM 0 H ASP A 3 -13.906 15.710 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.650 16.196 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.627 13.414 2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.746 14.409 3.229 1.00 0.00 H new ATOM 46 N LEU A 4 -10.550 15.089 0.078 1.00 0.00 N ATOM 47 CA LEU A 4 -9.135 14.810 -0.120 1.00 0.00 C ATOM 48 C LEU A 4 -8.294 15.873 0.583 1.00 0.00 C ATOM 49 O LEU A 4 -7.067 15.851 0.512 1.00 0.00 O ATOM 50 CB LEU A 4 -8.812 14.818 -1.610 1.00 0.00 C ATOM 51 CG LEU A 4 -8.919 16.196 -2.257 1.00 0.00 C ATOM 52 CD1 LEU A 4 -7.615 16.564 -2.950 1.00 0.00 C ATOM 53 CD2 LEU A 4 -10.083 16.243 -3.237 1.00 0.00 C ATOM 0 H LEU A 4 -10.982 15.610 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.905 13.830 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.801 14.437 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.488 14.133 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.108 16.929 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.711 17.550 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.806 16.579 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.393 15.828 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.140 17.234 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.931 15.499 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.012 16.030 -2.709 1.00 0.00 H new ATOM 65 N GLU A 5 -8.993 16.792 1.259 1.00 0.00 N ATOM 66 CA GLU A 5 -8.391 17.929 1.963 1.00 0.00 C ATOM 67 C GLU A 5 -7.061 17.616 2.650 1.00 0.00 C ATOM 68 O GLU A 5 -6.107 18.381 2.505 1.00 0.00 O ATOM 69 CB GLU A 5 -9.379 18.503 2.986 1.00 0.00 C ATOM 70 CG GLU A 5 -9.997 17.470 3.919 1.00 0.00 C ATOM 71 CD GLU A 5 -10.992 18.093 4.880 1.00 0.00 C ATOM 72 OE1 GLU A 5 -10.790 17.986 6.109 1.00 0.00 O ATOM 73 OE2 GLU A 5 -11.971 18.714 4.409 1.00 0.00 O ATOM 0 H GLU A 5 -10.010 16.766 1.333 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.166 18.664 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.865 19.254 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.179 19.015 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.496 16.701 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.208 16.975 4.485 1.00 0.00 H new ATOM 80 N GLN A 6 -6.986 16.497 3.370 1.00 0.00 N ATOM 81 CA GLN A 6 -5.753 16.142 4.085 1.00 0.00 C ATOM 82 C GLN A 6 -5.901 14.819 4.831 1.00 0.00 C ATOM 83 O GLN A 6 -5.547 14.711 6.005 1.00 0.00 O ATOM 84 CB GLN A 6 -5.360 17.246 5.082 1.00 0.00 C ATOM 85 CG GLN A 6 -3.867 17.284 5.394 1.00 0.00 C ATOM 86 CD GLN A 6 -3.069 17.993 4.310 1.00 0.00 C ATOM 87 OE1 GLN A 6 -2.764 17.286 3.229 1.00 0.00 O flip ATOM 88 NE2 GLN A 6 -2.737 19.169 4.438 1.00 0.00 N flip ATOM 0 H GLN A 6 -7.749 15.828 3.475 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.968 16.036 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.663 18.212 4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.913 17.100 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.710 17.789 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.496 16.266 5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.989 19.681 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.209 19.633 3.699 1.00 0.00 H new ATOM 97 N GLU A 7 -6.405 13.808 4.153 1.00 0.00 N ATOM 98 CA GLU A 7 -6.586 12.503 4.776 1.00 0.00 C ATOM 99 C GLU A 7 -5.710 11.461 4.101 1.00 0.00 C ATOM 100 O GLU A 7 -5.496 10.377 4.629 1.00 0.00 O ATOM 101 CB GLU A 7 -8.049 12.088 4.689 1.00 0.00 C ATOM 102 CG GLU A 7 -9.003 13.231 4.972 1.00 0.00 C ATOM 103 CD GLU A 7 -9.599 13.170 6.369 1.00 0.00 C ATOM 104 OE1 GLU A 7 -9.392 14.121 7.149 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.265 12.165 6.710 1.00 0.00 O ATOM 0 H GLU A 7 -6.696 13.859 3.177 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.293 12.574 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.250 11.691 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.236 11.281 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.476 14.177 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.808 13.216 4.238 1.00 0.00 H new ATOM 112 N PHE A 8 -5.159 11.831 2.955 1.00 0.00 N ATOM 113 CA PHE A 8 -4.333 10.947 2.173 1.00 0.00 C ATOM 114 C PHE A 8 -3.101 11.730 1.839 1.00 0.00 C ATOM 115 O PHE A 8 -2.918 12.187 0.713 1.00 0.00 O ATOM 116 CB PHE A 8 -5.047 10.544 0.885 1.00 0.00 C ATOM 117 CG PHE A 8 -6.542 10.569 0.993 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.250 9.456 1.401 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.235 11.728 0.695 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.624 9.500 1.509 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.607 11.775 0.798 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.300 10.663 1.207 1.00 0.00 C ATOM 0 H PHE A 8 -5.277 12.758 2.546 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.104 10.033 2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.738 11.215 0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.728 9.541 0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.723 8.543 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.693 12.607 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.170 8.625 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.137 12.685 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.376 10.699 1.292 1.00 0.00 H new ATOM 132 N ALA A 9 -2.287 11.945 2.834 1.00 0.00 N ATOM 133 CA ALA A 9 -1.120 12.730 2.651 1.00 0.00 C ATOM 134 C ALA A 9 -0.029 12.297 3.607 1.00 0.00 C ATOM 135 O ALA A 9 0.007 11.150 4.062 1.00 0.00 O ATOM 136 CB ALA A 9 -1.488 14.200 2.822 1.00 0.00 C ATOM 0 H ALA A 9 -2.419 11.583 3.778 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.724 12.587 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.599 14.816 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.239 14.476 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.889 14.361 3.823 1.00 0.00 H new ATOM 142 N LEU A 10 0.852 13.226 3.885 1.00 0.00 N ATOM 143 CA LEU A 10 2.003 13.006 4.747 1.00 0.00 C ATOM 144 C LEU A 10 1.615 12.464 6.125 1.00 0.00 C ATOM 145 O LEU A 10 1.206 13.225 7.002 1.00 0.00 O ATOM 146 CB LEU A 10 2.765 14.319 4.898 1.00 0.00 C ATOM 147 CG LEU A 10 3.735 14.670 3.758 1.00 0.00 C ATOM 148 CD1 LEU A 10 2.990 15.233 2.560 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.785 15.660 4.240 1.00 0.00 C ATOM 0 H LEU A 10 0.795 14.175 3.516 1.00 0.00 H new ATOM 0 HA LEU A 10 2.631 12.248 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.040 15.128 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.329 14.284 5.830 1.00 0.00 H new ATOM 0 HG LEU A 10 4.234 13.752 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.701 15.472 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.276 14.494 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.457 16.137 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.464 15.898 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.295 16.572 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.349 15.220 5.063 1.00 0.00 H new ATOM 161 N GLY A 11 1.746 11.147 6.311 1.00 0.00 N ATOM 162 CA GLY A 11 1.416 10.542 7.585 1.00 0.00 C ATOM 163 C GLY A 11 -0.071 10.538 7.810 1.00 0.00 C ATOM 164 O GLY A 11 -0.545 10.534 8.948 1.00 0.00 O ATOM 0 H GLY A 11 2.075 10.494 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.795 9.520 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.908 11.089 8.390 1.00 0.00 H new ATOM 168 N GLY A 12 -0.796 10.541 6.711 1.00 0.00 N ATOM 169 CA GLY A 12 -2.231 10.557 6.763 1.00 0.00 C ATOM 170 C GLY A 12 -2.816 9.236 7.193 1.00 0.00 C ATOM 171 O GLY A 12 -2.303 8.169 6.842 1.00 0.00 O ATOM 0 H GLY A 12 -0.406 10.532 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.556 11.335 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.622 10.820 5.780 1.00 0.00 H new ATOM 175 N ARG A 13 -3.875 9.315 7.969 1.00 0.00 N ATOM 176 CA ARG A 13 -4.566 8.135 8.437 1.00 0.00 C ATOM 177 C ARG A 13 -5.480 7.650 7.318 1.00 0.00 C ATOM 178 O ARG A 13 -6.397 8.354 6.891 1.00 0.00 O ATOM 179 CB ARG A 13 -5.371 8.465 9.699 1.00 0.00 C ATOM 180 CG ARG A 13 -6.414 9.535 9.450 1.00 0.00 C ATOM 181 CD ARG A 13 -6.929 10.182 10.725 1.00 0.00 C ATOM 182 NE ARG A 13 -7.240 11.602 10.518 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.092 12.067 9.595 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.857 11.235 8.896 1.00 0.00 N ATOM 185 NH2 ARG A 13 -8.206 13.372 9.400 1.00 0.00 N ATOM 0 H ARG A 13 -4.279 10.194 8.291 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.855 7.350 8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.860 7.561 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.692 8.798 10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.988 10.305 8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.253 9.096 8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.822 9.658 11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.182 10.083 11.512 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.775 12.282 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.799 10.230 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.502 11.602 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.645 14.021 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.854 13.728 8.698 1.00 0.00 H new ATOM 199 N CYS A 14 -5.227 6.465 6.815 1.00 0.00 N ATOM 200 CA CYS A 14 -6.037 5.956 5.734 1.00 0.00 C ATOM 201 C CYS A 14 -6.418 4.498 5.900 1.00 0.00 C ATOM 202 O CYS A 14 -5.805 3.745 6.658 1.00 0.00 O ATOM 203 CB CYS A 14 -5.300 6.136 4.414 1.00 0.00 C ATOM 204 SG CYS A 14 -5.584 7.732 3.628 1.00 0.00 S ATOM 0 H CYS A 14 -4.481 5.845 7.130 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.964 6.529 5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.231 6.013 4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.605 5.345 3.728 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.429 8.681 4.503 1.00 0.00 H new ATOM 210 N LEU A 15 -7.471 4.145 5.197 1.00 0.00 N ATOM 211 CA LEU A 15 -7.973 2.794 5.136 1.00 0.00 C ATOM 212 C LEU A 15 -7.791 2.364 3.704 1.00 0.00 C ATOM 213 O LEU A 15 -8.142 3.110 2.797 1.00 0.00 O ATOM 214 CB LEU A 15 -9.443 2.730 5.541 1.00 0.00 C ATOM 215 CG LEU A 15 -9.712 2.617 7.043 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.182 2.348 7.303 1.00 0.00 C ATOM 217 CD2 LEU A 15 -8.870 1.522 7.667 1.00 0.00 C ATOM 0 H LEU A 15 -8.013 4.806 4.640 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.442 2.139 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.943 3.623 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.901 1.876 5.043 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.438 3.567 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.353 2.271 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.779 3.165 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.472 1.414 6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.082 1.464 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.108 0.568 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.814 1.746 7.518 1.00 0.00 H new ATOM 229 N ALA A 16 -7.259 1.191 3.480 1.00 0.00 N ATOM 230 CA ALA A 16 -7.000 0.771 2.123 1.00 0.00 C ATOM 231 C ALA A 16 -7.608 -0.580 1.876 1.00 0.00 C ATOM 232 O ALA A 16 -7.690 -1.410 2.782 1.00 0.00 O ATOM 233 CB ALA A 16 -5.505 0.788 1.832 1.00 0.00 C ATOM 0 H ALA A 16 -7.000 0.519 4.202 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.468 1.475 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.331 0.468 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.119 1.798 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.994 0.109 2.515 1.00 0.00 H new ATOM 239 N PHE A 17 -8.058 -0.784 0.660 1.00 0.00 N ATOM 240 CA PHE A 17 -8.692 -2.026 0.305 1.00 0.00 C ATOM 241 C PHE A 17 -7.675 -3.123 0.059 1.00 0.00 C ATOM 242 O PHE A 17 -7.049 -3.201 -0.998 1.00 0.00 O ATOM 243 CB PHE A 17 -9.587 -1.843 -0.920 1.00 0.00 C ATOM 244 CG PHE A 17 -10.995 -1.448 -0.569 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.476 -0.186 -0.872 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.839 -2.350 0.061 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.773 0.170 -0.554 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.135 -1.998 0.383 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.604 -0.737 0.071 1.00 0.00 C ATOM 0 H PHE A 17 -7.996 -0.104 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.311 -2.331 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.154 -1.082 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.608 -2.772 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.831 0.528 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.479 -3.339 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.136 1.158 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.781 -2.708 0.878 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.619 -0.461 0.316 1.00 0.00 H new ATOM 259 N HIS A 18 -7.521 -3.961 1.063 1.00 0.00 N ATOM 260 CA HIS A 18 -6.651 -5.105 0.995 1.00 0.00 C ATOM 261 C HIS A 18 -7.531 -6.256 0.562 1.00 0.00 C ATOM 262 O HIS A 18 -8.226 -6.868 1.379 1.00 0.00 O ATOM 263 CB HIS A 18 -5.999 -5.386 2.353 1.00 0.00 C ATOM 264 CG HIS A 18 -5.037 -6.536 2.333 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.076 -7.520 3.290 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.041 -6.813 1.455 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.112 -8.367 2.979 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.459 -7.981 1.876 1.00 0.00 N ATOM 0 H HIS A 18 -8.004 -3.862 1.956 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.830 -4.944 0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.474 -4.491 2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.780 -5.590 3.086 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.718 -7.584 4.080 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.761 -6.227 0.592 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.880 -9.258 3.543 1.00 0.00 H new ATOM 276 N GLY A 19 -7.555 -6.494 -0.734 1.00 0.00 N ATOM 277 CA GLY A 19 -8.410 -7.517 -1.271 1.00 0.00 C ATOM 278 C GLY A 19 -9.841 -7.024 -1.269 1.00 0.00 C ATOM 279 O GLY A 19 -10.178 -6.112 -2.021 1.00 0.00 O ATOM 0 H GLY A 19 -6.995 -5.994 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.102 -7.769 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.326 -8.427 -0.677 1.00 0.00 H new ATOM 283 N PRO A 20 -10.707 -7.595 -0.428 1.00 0.00 N ATOM 284 CA PRO A 20 -12.094 -7.186 -0.330 1.00 0.00 C ATOM 285 C PRO A 20 -12.397 -6.251 0.840 1.00 0.00 C ATOM 286 O PRO A 20 -13.524 -5.778 0.960 1.00 0.00 O ATOM 287 CB PRO A 20 -12.813 -8.512 -0.090 1.00 0.00 C ATOM 288 CG PRO A 20 -11.760 -9.492 0.364 1.00 0.00 C ATOM 289 CD PRO A 20 -10.450 -8.747 0.432 1.00 0.00 C ATOM 0 HA PRO A 20 -12.393 -6.627 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.591 -8.401 0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.300 -8.860 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.017 -9.907 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.690 -10.329 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.204 -8.448 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.619 -9.350 0.067 1.00 0.00 H new ATOM 297 N LEU A 21 -11.424 -5.964 1.699 1.00 0.00 N ATOM 298 CA LEU A 21 -11.722 -5.131 2.860 1.00 0.00 C ATOM 299 C LEU A 21 -10.775 -3.965 3.083 1.00 0.00 C ATOM 300 O LEU A 21 -9.726 -3.854 2.467 1.00 0.00 O ATOM 301 CB LEU A 21 -11.750 -5.987 4.117 1.00 0.00 C ATOM 302 CG LEU A 21 -13.054 -6.739 4.334 1.00 0.00 C ATOM 303 CD1 LEU A 21 -13.107 -7.301 5.737 1.00 0.00 C ATOM 304 CD2 LEU A 21 -14.241 -5.826 4.084 1.00 0.00 C ATOM 0 H LEU A 21 -10.458 -6.281 1.621 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.696 -4.691 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.933 -6.707 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.564 -5.349 4.981 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.100 -7.566 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.046 -7.837 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.272 -7.986 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.042 -6.486 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.166 -6.380 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.201 -4.981 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.209 -5.461 3.057 1.00 0.00 H new ATOM 316 N MET A 22 -11.182 -3.122 4.026 1.00 0.00 N ATOM 317 CA MET A 22 -10.453 -1.931 4.423 1.00 0.00 C ATOM 318 C MET A 22 -9.518 -2.235 5.587 1.00 0.00 C ATOM 319 O MET A 22 -9.964 -2.647 6.661 1.00 0.00 O ATOM 320 CB MET A 22 -11.443 -0.846 4.853 1.00 0.00 C ATOM 321 CG MET A 22 -11.345 0.424 4.033 1.00 0.00 C ATOM 322 SD MET A 22 -12.693 0.597 2.855 1.00 0.00 S ATOM 323 CE MET A 22 -14.104 0.529 3.951 1.00 0.00 C ATOM 0 H MET A 22 -12.050 -3.255 4.546 1.00 0.00 H new ATOM 0 HA MET A 22 -9.863 -1.588 3.573 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.456 -1.240 4.777 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.272 -0.605 5.902 1.00 0.00 H new ATOM 0 HG2 MET A 22 -11.341 1.284 4.702 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.396 0.433 3.497 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.987 0.900 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.273 -0.502 4.263 1.00 0.00 H new ATOM 0 HE3 MET A 22 -13.913 1.147 4.829 1.00 0.00 H new ATOM 333 N TYR A 23 -8.229 -2.045 5.374 1.00 0.00 N ATOM 334 CA TYR A 23 -7.237 -2.289 6.408 1.00 0.00 C ATOM 335 C TYR A 23 -6.569 -0.981 6.814 1.00 0.00 C ATOM 336 O TYR A 23 -6.336 -0.111 5.972 1.00 0.00 O ATOM 337 CB TYR A 23 -6.197 -3.297 5.916 1.00 0.00 C ATOM 338 CG TYR A 23 -6.662 -4.741 5.986 1.00 0.00 C ATOM 339 CD1 TYR A 23 -5.973 -5.670 6.755 1.00 0.00 C ATOM 340 CD2 TYR A 23 -7.783 -5.177 5.287 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.387 -6.986 6.827 1.00 0.00 C ATOM 342 CE2 TYR A 23 -8.203 -6.490 5.354 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.501 -7.394 6.124 1.00 0.00 C ATOM 344 OH TYR A 23 -7.918 -8.706 6.195 1.00 0.00 O ATOM 0 H TYR A 23 -7.841 -1.720 4.488 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.734 -2.708 7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.934 -3.059 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.290 -3.188 6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.098 -5.358 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.335 -4.475 4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.840 -7.693 7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.077 -6.808 4.806 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.718 -8.825 5.642 1.00 0.00 H new ATOM 354 N GLU A 24 -6.309 -0.835 8.112 1.00 0.00 N ATOM 355 CA GLU A 24 -5.677 0.361 8.657 1.00 0.00 C ATOM 356 C GLU A 24 -4.289 0.564 8.066 1.00 0.00 C ATOM 357 O GLU A 24 -3.486 -0.367 8.010 1.00 0.00 O ATOM 358 CB GLU A 24 -5.575 0.265 10.186 1.00 0.00 C ATOM 359 CG GLU A 24 -6.914 0.345 10.903 1.00 0.00 C ATOM 360 CD GLU A 24 -7.552 -1.017 11.124 1.00 0.00 C ATOM 361 OE1 GLU A 24 -8.199 -1.212 12.174 1.00 0.00 O ATOM 362 OE2 GLU A 24 -7.429 -1.892 10.240 1.00 0.00 O ATOM 0 H GLU A 24 -6.531 -1.542 8.813 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.299 1.216 8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.090 -0.675 10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.932 1.068 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.775 0.836 11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.594 0.969 10.323 1.00 0.00 H new ATOM 369 N ALA A 25 -4.006 1.779 7.627 1.00 0.00 N ATOM 370 CA ALA A 25 -2.711 2.074 7.045 1.00 0.00 C ATOM 371 C ALA A 25 -2.249 3.494 7.335 1.00 0.00 C ATOM 372 O ALA A 25 -3.052 4.399 7.567 1.00 0.00 O ATOM 373 CB ALA A 25 -2.747 1.830 5.550 1.00 0.00 C ATOM 0 H ALA A 25 -4.650 2.569 7.662 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.988 1.403 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.770 2.054 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.997 0.787 5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.500 2.473 5.094 1.00 0.00 H new ATOM 379 N LYS A 26 -0.936 3.660 7.338 1.00 0.00 N ATOM 380 CA LYS A 26 -0.303 4.952 7.562 1.00 0.00 C ATOM 381 C LYS A 26 0.527 5.294 6.336 1.00 0.00 C ATOM 382 O LYS A 26 1.429 4.541 5.962 1.00 0.00 O ATOM 383 CB LYS A 26 0.581 4.898 8.817 1.00 0.00 C ATOM 384 CG LYS A 26 1.351 6.183 9.096 1.00 0.00 C ATOM 385 CD LYS A 26 2.575 5.919 9.961 1.00 0.00 C ATOM 386 CE LYS A 26 3.428 7.169 10.153 1.00 0.00 C ATOM 387 NZ LYS A 26 2.976 7.999 11.304 1.00 0.00 N ATOM 0 H LYS A 26 -0.275 2.899 7.184 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.060 5.720 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.045 4.669 9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.291 4.078 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.660 6.636 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.698 6.899 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.256 5.546 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.179 5.136 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.466 6.876 10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.398 7.769 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.588 8.835 11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.994 8.304 11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.030 7.439 12.178 1.00 0.00 H new ATOM 401 N ILE A 27 0.196 6.399 5.693 1.00 0.00 N ATOM 402 CA ILE A 27 0.906 6.821 4.493 1.00 0.00 C ATOM 403 C ILE A 27 2.289 7.338 4.824 1.00 0.00 C ATOM 404 O ILE A 27 2.456 8.219 5.665 1.00 0.00 O ATOM 405 CB ILE A 27 0.112 7.890 3.715 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.297 7.384 3.398 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.835 8.268 2.431 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.342 8.477 3.367 1.00 0.00 C ATOM 0 H ILE A 27 -0.559 7.022 5.979 1.00 0.00 H new ATOM 0 HA ILE A 27 1.010 5.941 3.858 1.00 0.00 H new ATOM 0 HB ILE A 27 0.033 8.778 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.283 6.879 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.583 6.641 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.258 9.023 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.820 8.667 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.946 7.385 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.315 8.044 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.384 8.967 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.080 9.209 2.603 1.00 0.00 H new ATOM 420 N LEU A 28 3.275 6.759 4.157 1.00 0.00 N ATOM 421 CA LEU A 28 4.657 7.134 4.358 1.00 0.00 C ATOM 422 C LEU A 28 5.219 7.861 3.139 1.00 0.00 C ATOM 423 O LEU A 28 6.205 8.599 3.238 1.00 0.00 O ATOM 424 CB LEU A 28 5.491 5.896 4.659 1.00 0.00 C ATOM 425 CG LEU A 28 6.633 6.155 5.618 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.141 6.113 7.052 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.766 5.167 5.393 1.00 0.00 C ATOM 0 H LEU A 28 3.137 6.021 3.466 1.00 0.00 H new ATOM 0 HA LEU A 28 4.703 7.817 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.844 5.125 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.893 5.503 3.725 1.00 0.00 H new ATOM 0 HG LEU A 28 7.025 7.153 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.975 6.301 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.377 6.877 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.717 5.131 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.574 5.374 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.400 4.152 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.137 5.265 4.373 1.00 0.00 H new ATOM 439 N LYS A 29 4.611 7.629 1.979 1.00 0.00 N ATOM 440 CA LYS A 29 5.041 8.284 0.747 1.00 0.00 C ATOM 441 C LYS A 29 3.847 8.580 -0.142 1.00 0.00 C ATOM 442 O LYS A 29 3.053 7.701 -0.437 1.00 0.00 O ATOM 443 CB LYS A 29 6.035 7.422 -0.045 1.00 0.00 C ATOM 444 CG LYS A 29 7.121 6.801 0.804 1.00 0.00 C ATOM 445 CD LYS A 29 8.236 6.210 -0.033 1.00 0.00 C ATOM 446 CE LYS A 29 9.337 5.678 0.858 1.00 0.00 C ATOM 447 NZ LYS A 29 10.603 5.425 0.114 1.00 0.00 N ATOM 0 H LYS A 29 3.821 6.994 1.866 1.00 0.00 H new ATOM 0 HA LYS A 29 5.534 9.211 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.487 6.629 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.498 8.036 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.533 7.556 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.688 6.022 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.844 5.407 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.637 6.969 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.527 6.391 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.004 4.752 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.324 5.062 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.431 4.724 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.938 6.312 -0.313 1.00 0.00 H new ATOM 461 N ILE A 30 3.715 9.817 -0.550 1.00 0.00 N ATOM 462 CA ILE A 30 2.635 10.208 -1.447 1.00 0.00 C ATOM 463 C ILE A 30 3.191 10.159 -2.856 1.00 0.00 C ATOM 464 O ILE A 30 4.331 10.530 -3.059 1.00 0.00 O ATOM 465 CB ILE A 30 2.079 11.620 -1.121 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.235 11.589 0.152 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.240 12.156 -2.270 1.00 0.00 C ATOM 468 CD1 ILE A 30 2.021 11.352 1.418 1.00 0.00 C ATOM 0 H ILE A 30 4.338 10.578 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 30 1.794 9.525 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 30 2.933 12.281 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.702 12.535 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.482 10.807 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.863 13.146 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.853 12.222 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.401 11.485 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.343 11.345 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.533 10.392 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.756 12.147 1.544 1.00 0.00 H new ATOM 480 N TRP A 31 2.417 9.723 -3.829 1.00 0.00 N ATOM 481 CA TRP A 31 2.946 9.594 -5.164 1.00 0.00 C ATOM 482 C TRP A 31 2.318 10.560 -6.149 1.00 0.00 C ATOM 483 O TRP A 31 1.094 10.636 -6.253 1.00 0.00 O ATOM 484 CB TRP A 31 2.717 8.192 -5.677 1.00 0.00 C ATOM 485 CG TRP A 31 3.110 8.084 -7.090 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.309 8.160 -8.180 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.425 7.969 -7.559 1.00 0.00 C ATOM 488 NE1 TRP A 31 3.063 8.053 -9.316 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.368 7.934 -8.954 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.648 7.879 -6.921 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.493 7.810 -9.727 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.770 7.758 -7.689 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.682 7.725 -9.082 1.00 0.00 C ATOM 0 H TRP A 31 1.438 9.457 -3.721 1.00 0.00 H new ATOM 0 HA TRP A 31 4.009 9.824 -5.092 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.290 7.483 -5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.666 7.926 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.237 8.286 -8.156 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.707 8.061 -10.272 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.714 7.904 -5.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.434 7.781 -10.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.737 7.687 -7.214 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.588 7.629 -9.662 1.00 0.00 H new ATOM 504 N ASP A 32 3.170 11.219 -6.926 1.00 0.00 N ATOM 505 CA ASP A 32 2.727 12.165 -7.937 1.00 0.00 C ATOM 506 C ASP A 32 2.905 11.570 -9.338 1.00 0.00 C ATOM 507 O ASP A 32 4.008 11.178 -9.718 1.00 0.00 O ATOM 508 CB ASP A 32 3.498 13.473 -7.818 1.00 0.00 C ATOM 509 CG ASP A 32 2.950 14.522 -8.754 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.872 15.080 -8.448 1.00 0.00 O ATOM 511 OD2 ASP A 32 3.581 14.773 -9.802 1.00 0.00 O ATOM 0 H ASP A 32 4.183 11.112 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 32 1.669 12.371 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.446 13.836 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.551 13.298 -8.041 1.00 0.00 H new ATOM 516 N PRO A 33 1.817 11.521 -10.126 1.00 0.00 N ATOM 517 CA PRO A 33 1.803 10.941 -11.479 1.00 0.00 C ATOM 518 C PRO A 33 2.239 11.904 -12.580 1.00 0.00 C ATOM 519 O PRO A 33 2.257 11.540 -13.757 1.00 0.00 O ATOM 520 CB PRO A 33 0.324 10.600 -11.694 1.00 0.00 C ATOM 521 CG PRO A 33 -0.425 11.114 -10.506 1.00 0.00 C ATOM 522 CD PRO A 33 0.497 12.039 -9.772 1.00 0.00 C ATOM 0 HA PRO A 33 2.500 10.105 -11.539 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.047 11.058 -12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.188 9.523 -11.798 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.329 11.638 -10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.739 10.292 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.369 13.074 -10.089 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.326 12.012 -8.696 1.00 0.00 H new ATOM 530 N SER A 34 2.595 13.114 -12.204 1.00 0.00 N ATOM 531 CA SER A 34 2.977 14.128 -13.180 1.00 0.00 C ATOM 532 C SER A 34 4.485 14.161 -13.439 1.00 0.00 C ATOM 533 O SER A 34 4.920 14.305 -14.583 1.00 0.00 O ATOM 534 CB SER A 34 2.489 15.500 -12.714 1.00 0.00 C ATOM 535 OG SER A 34 1.141 15.432 -12.272 1.00 0.00 O ATOM 0 H SER A 34 2.630 13.425 -11.233 1.00 0.00 H new ATOM 0 HA SER A 34 2.502 13.865 -14.125 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.124 15.861 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.573 16.218 -13.530 1.00 0.00 H new ATOM 0 HG SER A 34 0.848 16.319 -11.977 1.00 0.00 H new ATOM 541 N SER A 35 5.289 13.989 -12.400 1.00 0.00 N ATOM 542 CA SER A 35 6.734 14.041 -12.563 1.00 0.00 C ATOM 543 C SER A 35 7.332 12.668 -12.358 1.00 0.00 C ATOM 544 O SER A 35 8.422 12.374 -12.856 1.00 0.00 O ATOM 545 CB SER A 35 7.352 15.030 -11.584 1.00 0.00 C ATOM 546 OG SER A 35 6.924 16.352 -11.840 1.00 0.00 O ATOM 0 H SER A 35 4.971 13.814 -11.447 1.00 0.00 H new ATOM 0 HA SER A 35 6.952 14.376 -13.577 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.083 14.751 -10.565 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.439 14.979 -11.652 1.00 0.00 H new ATOM 0 HG SER A 35 7.338 16.961 -11.193 1.00 0.00 H new ATOM 552 N LYS A 36 6.617 11.863 -11.576 1.00 0.00 N ATOM 553 CA LYS A 36 6.990 10.496 -11.275 1.00 0.00 C ATOM 554 C LYS A 36 7.919 10.475 -10.087 1.00 0.00 C ATOM 555 O LYS A 36 8.893 9.725 -10.009 1.00 0.00 O ATOM 556 CB LYS A 36 7.577 9.773 -12.476 1.00 0.00 C ATOM 557 CG LYS A 36 7.455 8.279 -12.345 1.00 0.00 C ATOM 558 CD LYS A 36 7.896 7.549 -13.604 1.00 0.00 C ATOM 559 CE LYS A 36 6.932 7.796 -14.753 1.00 0.00 C ATOM 560 NZ LYS A 36 7.078 6.787 -15.831 1.00 0.00 N ATOM 0 H LYS A 36 5.748 12.154 -11.129 1.00 0.00 H new ATOM 0 HA LYS A 36 6.085 9.944 -11.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.068 10.101 -13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.627 10.044 -12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.057 7.940 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.420 8.020 -12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.895 7.880 -13.887 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.959 6.480 -13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.909 7.779 -14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.105 8.791 -15.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.402 6.994 -16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.047 6.820 -16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.888 5.839 -15.447 1.00 0.00 H new ATOM 574 N MET A 37 7.583 11.341 -9.171 1.00 0.00 N ATOM 575 CA MET A 37 8.252 11.475 -7.940 1.00 0.00 C ATOM 576 C MET A 37 7.234 11.162 -6.874 1.00 0.00 C ATOM 577 O MET A 37 6.054 10.958 -7.168 1.00 0.00 O ATOM 578 CB MET A 37 8.789 12.900 -7.794 1.00 0.00 C ATOM 579 CG MET A 37 7.706 13.963 -7.895 1.00 0.00 C ATOM 580 SD MET A 37 8.317 15.530 -8.540 1.00 0.00 S ATOM 581 CE MET A 37 6.843 16.543 -8.400 1.00 0.00 C ATOM 0 H MET A 37 6.804 11.990 -9.282 1.00 0.00 H new ATOM 0 HA MET A 37 9.107 10.803 -7.863 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.293 12.994 -6.832 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.538 13.080 -8.565 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.906 13.599 -8.539 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.272 14.127 -6.909 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.013 17.502 -8.889 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.006 16.035 -8.878 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.614 16.708 -7.347 1.00 0.00 H new ATOM 591 N TYR A 38 7.665 11.159 -5.659 1.00 0.00 N ATOM 592 CA TYR A 38 6.804 10.848 -4.570 1.00 0.00 C ATOM 593 C TYR A 38 7.272 11.670 -3.390 1.00 0.00 C ATOM 594 O TYR A 38 8.451 12.036 -3.321 1.00 0.00 O ATOM 595 CB TYR A 38 6.819 9.347 -4.254 1.00 0.00 C ATOM 596 CG TYR A 38 8.154 8.784 -3.843 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.940 8.096 -4.751 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.613 8.917 -2.546 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.150 7.551 -4.373 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.822 8.384 -2.158 1.00 0.00 C ATOM 601 CZ TYR A 38 10.590 7.702 -3.074 1.00 0.00 C ATOM 602 OH TYR A 38 11.789 7.154 -2.679 1.00 0.00 O ATOM 0 H TYR A 38 8.626 11.373 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 38 5.770 11.090 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.102 9.154 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.471 8.805 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.601 7.984 -5.770 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.012 9.449 -1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.749 7.009 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.166 8.501 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 38 11.945 7.357 -1.733 1.00 0.00 H new ATOM 612 N THR A 39 6.384 11.992 -2.490 1.00 0.00 N ATOM 613 CA THR A 39 6.766 12.776 -1.349 1.00 0.00 C ATOM 614 C THR A 39 6.637 11.954 -0.077 1.00 0.00 C ATOM 615 O THR A 39 5.540 11.593 0.347 1.00 0.00 O ATOM 616 CB THR A 39 5.951 14.073 -1.272 1.00 0.00 C ATOM 617 OG1 THR A 39 4.570 13.794 -1.007 1.00 0.00 O ATOM 618 CG2 THR A 39 6.067 14.860 -2.569 1.00 0.00 C ATOM 0 H THR A 39 5.400 11.726 -2.523 1.00 0.00 H new ATOM 0 HA THR A 39 7.812 13.062 -1.459 1.00 0.00 H new ATOM 0 HB THR A 39 6.356 14.669 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.503 13.060 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.481 15.776 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.112 15.112 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.691 14.257 -3.395 1.00 0.00 H new ATOM 626 N SER A 40 7.776 11.640 0.509 1.00 0.00 N ATOM 627 CA SER A 40 7.819 10.835 1.714 1.00 0.00 C ATOM 628 C SER A 40 7.810 11.720 2.957 1.00 0.00 C ATOM 629 O SER A 40 7.774 12.945 2.860 1.00 0.00 O ATOM 630 CB SER A 40 9.067 9.949 1.689 1.00 0.00 C ATOM 631 OG SER A 40 8.886 8.775 2.464 1.00 0.00 O ATOM 0 H SER A 40 8.691 11.933 0.167 1.00 0.00 H new ATOM 0 HA SER A 40 6.932 10.202 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.299 9.675 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.920 10.510 2.070 1.00 0.00 H new ATOM 0 HG SER A 40 7.984 8.771 2.847 1.00 0.00 H new ATOM 637 N ILE A 41 7.810 11.095 4.121 1.00 0.00 N ATOM 638 CA ILE A 41 7.819 11.830 5.383 1.00 0.00 C ATOM 639 C ILE A 41 8.750 11.155 6.379 1.00 0.00 C ATOM 640 O ILE A 41 8.745 9.931 6.506 1.00 0.00 O ATOM 641 CB ILE A 41 6.410 11.929 6.023 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.320 11.959 4.951 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.310 13.163 6.909 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.540 10.667 4.854 1.00 0.00 C ATOM 0 H ILE A 41 7.804 10.080 4.223 1.00 0.00 H new ATOM 0 HA ILE A 41 8.164 12.837 5.151 1.00 0.00 H new ATOM 0 HB ILE A 41 6.259 11.042 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.631 12.776 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.776 12.173 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.314 13.215 7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.055 13.102 7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.489 14.056 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.783 10.757 4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.218 9.850 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.055 10.462 5.809 1.00 0.00 H new ATOM 656 N PRO A 42 9.588 11.933 7.080 1.00 0.00 N ATOM 657 CA PRO A 42 10.500 11.392 8.075 1.00 0.00 C ATOM 658 C PRO A 42 9.763 11.012 9.353 1.00 0.00 C ATOM 659 O PRO A 42 9.217 11.866 10.051 1.00 0.00 O ATOM 660 CB PRO A 42 11.489 12.542 8.347 1.00 0.00 C ATOM 661 CG PRO A 42 11.157 13.612 7.356 1.00 0.00 C ATOM 662 CD PRO A 42 9.728 13.387 6.956 1.00 0.00 C ATOM 0 HA PRO A 42 10.991 10.483 7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.388 12.910 9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.520 12.207 8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.287 14.602 7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.816 13.558 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.036 13.918 7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.533 13.728 5.939 1.00 0.00 H new ATOM 670 N ASN A 43 9.738 9.727 9.647 1.00 0.00 N ATOM 671 CA ASN A 43 9.088 9.229 10.850 1.00 0.00 C ATOM 672 C ASN A 43 10.134 8.593 11.748 1.00 0.00 C ATOM 673 O ASN A 43 10.318 7.375 11.731 1.00 0.00 O ATOM 674 CB ASN A 43 7.995 8.213 10.496 1.00 0.00 C ATOM 675 CG ASN A 43 7.098 7.866 11.674 1.00 0.00 C ATOM 676 OD1 ASN A 43 6.830 8.841 12.535 1.00 0.00 O flip ATOM 677 ND2 ASN A 43 6.636 6.730 11.801 1.00 0.00 N flip ATOM 0 H ASN A 43 10.162 9.003 9.067 1.00 0.00 H new ATOM 0 HA ASN A 43 8.613 10.059 11.373 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.384 8.613 9.687 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.462 7.302 10.122 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.865 6.007 11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.025 6.513 12.588 1.00 0.00 H new ATOM 684 N ASP A 44 10.841 9.441 12.494 1.00 0.00 N ATOM 685 CA ASP A 44 11.906 8.993 13.390 1.00 0.00 C ATOM 686 C ASP A 44 13.005 8.337 12.572 1.00 0.00 C ATOM 687 O ASP A 44 13.360 7.178 12.780 1.00 0.00 O ATOM 688 CB ASP A 44 11.366 8.033 14.457 1.00 0.00 C ATOM 689 CG ASP A 44 10.783 8.765 15.651 1.00 0.00 C ATOM 690 OD1 ASP A 44 9.918 9.647 15.455 1.00 0.00 O ATOM 691 OD2 ASP A 44 11.185 8.463 16.795 1.00 0.00 O ATOM 0 H ASP A 44 10.693 10.450 12.495 1.00 0.00 H new ATOM 0 HA ASP A 44 12.316 9.857 13.914 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.600 7.396 14.015 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.170 7.378 14.793 1.00 0.00 H new ATOM 696 N LYS A 45 13.538 9.098 11.632 1.00 0.00 N ATOM 697 CA LYS A 45 14.574 8.599 10.744 1.00 0.00 C ATOM 698 C LYS A 45 15.939 9.168 11.104 1.00 0.00 C ATOM 699 O LYS A 45 16.185 10.366 10.953 1.00 0.00 O ATOM 700 CB LYS A 45 14.230 8.952 9.295 1.00 0.00 C ATOM 701 CG LYS A 45 13.497 7.853 8.547 1.00 0.00 C ATOM 702 CD LYS A 45 12.566 8.433 7.503 1.00 0.00 C ATOM 703 CE LYS A 45 12.342 7.477 6.337 1.00 0.00 C ATOM 704 NZ LYS A 45 13.593 7.205 5.575 1.00 0.00 N ATOM 0 H LYS A 45 13.269 10.067 11.464 1.00 0.00 H new ATOM 0 HA LYS A 45 14.621 7.516 10.857 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.617 9.853 9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.151 9.188 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.218 7.191 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.927 7.247 9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.608 8.671 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.980 9.369 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.938 6.537 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.595 7.898 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.352 6.895 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.165 8.072 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.136 6.458 6.054 1.00 0.00 H new ATOM 718 N PRO A 46 16.845 8.314 11.596 1.00 0.00 N ATOM 719 CA PRO A 46 18.195 8.709 11.955 1.00 0.00 C ATOM 720 C PRO A 46 19.109 8.660 10.734 1.00 0.00 C ATOM 721 O PRO A 46 19.913 7.737 10.583 1.00 0.00 O ATOM 722 CB PRO A 46 18.620 7.659 12.995 1.00 0.00 C ATOM 723 CG PRO A 46 17.512 6.648 13.051 1.00 0.00 C ATOM 724 CD PRO A 46 16.637 6.890 11.856 1.00 0.00 C ATOM 0 HA PRO A 46 18.251 9.728 12.338 1.00 0.00 H new ATOM 0 HB2 PRO A 46 19.561 7.189 12.710 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.776 8.119 13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 46 17.913 5.635 13.036 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.942 6.752 13.974 1.00 0.00 H new ATOM 0 HD2 PRO A 46 16.932 6.275 11.006 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.592 6.664 12.066 1.00 0.00 H new ATOM 732 N GLY A 47 18.957 9.649 9.857 1.00 0.00 N ATOM 733 CA GLY A 47 19.746 9.712 8.641 1.00 0.00 C ATOM 734 C GLY A 47 21.236 9.773 8.902 1.00 0.00 C ATOM 735 O GLY A 47 22.015 9.119 8.208 1.00 0.00 O ATOM 0 H GLY A 47 18.293 10.415 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.526 8.839 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.448 10.589 8.066 1.00 0.00 H new ATOM 739 N GLY A 48 21.633 10.554 9.898 1.00 0.00 N ATOM 740 CA GLY A 48 23.040 10.676 10.219 1.00 0.00 C ATOM 741 C GLY A 48 23.728 11.701 9.344 1.00 0.00 C ATOM 742 O GLY A 48 24.780 11.435 8.760 1.00 0.00 O ATOM 0 H GLY A 48 21.007 11.103 10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 48 23.151 10.958 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 48 23.526 9.708 10.097 1.00 0.00 H new ATOM 746 N SER A 49 23.118 12.873 9.239 1.00 0.00 N ATOM 747 CA SER A 49 23.656 13.956 8.436 1.00 0.00 C ATOM 748 C SER A 49 23.127 15.293 8.948 1.00 0.00 C ATOM 749 O SER A 49 22.150 15.338 9.703 1.00 0.00 O ATOM 750 CB SER A 49 23.281 13.757 6.962 1.00 0.00 C ATOM 751 OG SER A 49 24.017 14.633 6.119 1.00 0.00 O ATOM 0 H SER A 49 22.240 13.097 9.707 1.00 0.00 H new ATOM 0 HA SER A 49 24.743 13.956 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 49 23.472 12.724 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 49 22.213 13.933 6.829 1.00 0.00 H new ATOM 0 HG SER A 49 23.759 14.483 5.186 1.00 0.00 H new ATOM 757 N SER A 50 23.782 16.373 8.546 1.00 0.00 N ATOM 758 CA SER A 50 23.397 17.714 8.956 1.00 0.00 C ATOM 759 C SER A 50 22.011 18.071 8.429 1.00 0.00 C ATOM 760 O SER A 50 21.128 18.484 9.184 1.00 0.00 O ATOM 761 CB SER A 50 24.432 18.712 8.442 1.00 0.00 C ATOM 762 OG SER A 50 25.446 18.042 7.705 1.00 0.00 O ATOM 0 H SER A 50 24.593 16.344 7.928 1.00 0.00 H new ATOM 0 HA SER A 50 23.359 17.753 10.045 1.00 0.00 H new ATOM 0 HB2 SER A 50 23.946 19.456 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 50 24.877 19.248 9.280 1.00 0.00 H new ATOM 0 HG SER A 50 26.101 18.695 7.381 1.00 0.00 H new ATOM 768 N GLN A 51 21.822 17.895 7.131 1.00 0.00 N ATOM 769 CA GLN A 51 20.549 18.197 6.504 1.00 0.00 C ATOM 770 C GLN A 51 20.126 17.055 5.590 1.00 0.00 C ATOM 771 O GLN A 51 20.798 16.752 4.603 1.00 0.00 O ATOM 772 CB GLN A 51 20.625 19.517 5.727 1.00 0.00 C ATOM 773 CG GLN A 51 21.803 19.611 4.766 1.00 0.00 C ATOM 774 CD GLN A 51 21.368 19.826 3.331 1.00 0.00 C ATOM 775 OE1 GLN A 51 21.241 20.959 2.865 1.00 0.00 O ATOM 776 NE2 GLN A 51 21.124 18.733 2.629 1.00 0.00 N ATOM 0 H GLN A 51 22.536 17.544 6.492 1.00 0.00 H new ATOM 0 HA GLN A 51 19.797 18.310 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.701 19.648 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.684 20.341 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 51 22.452 20.431 5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 51 22.393 18.697 4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.243 17.815 3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.817 18.808 1.659 1.00 0.00 H new ATOM 785 N ALA A 52 19.018 16.412 5.928 1.00 0.00 N ATOM 786 CA ALA A 52 18.515 15.297 5.138 1.00 0.00 C ATOM 787 C ALA A 52 17.025 15.095 5.379 1.00 0.00 C ATOM 788 O ALA A 52 16.195 15.528 4.581 1.00 0.00 O ATOM 789 CB ALA A 52 19.285 14.019 5.458 1.00 0.00 C ATOM 0 H ALA A 52 18.450 16.643 6.743 1.00 0.00 H new ATOM 0 HA ALA A 52 18.664 15.534 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.893 13.198 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 52 20.341 14.164 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 52 19.171 13.781 6.516 1.00 0.00 H new ATOM 795 N THR A 53 16.688 14.486 6.507 1.00 0.00 N ATOM 796 CA THR A 53 15.303 14.218 6.864 1.00 0.00 C ATOM 797 C THR A 53 14.608 15.467 7.406 1.00 0.00 C ATOM 798 O THR A 53 13.826 15.401 8.351 1.00 0.00 O ATOM 799 CB THR A 53 15.237 13.081 7.898 1.00 0.00 C ATOM 800 OG1 THR A 53 16.457 13.048 8.656 1.00 0.00 O ATOM 801 CG2 THR A 53 15.036 11.746 7.201 1.00 0.00 C ATOM 0 H THR A 53 17.365 14.165 7.199 1.00 0.00 H new ATOM 0 HA THR A 53 14.777 13.914 5.959 1.00 0.00 H new ATOM 0 HB THR A 53 14.395 13.261 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.413 12.324 9.315 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.991 10.950 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.104 11.767 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.868 11.561 6.522 1.00 0.00 H new ATOM 809 N LYS A 54 14.895 16.607 6.790 1.00 0.00 N ATOM 810 CA LYS A 54 14.303 17.874 7.195 1.00 0.00 C ATOM 811 C LYS A 54 13.616 18.540 6.010 1.00 0.00 C ATOM 812 O LYS A 54 12.849 19.488 6.175 1.00 0.00 O ATOM 813 CB LYS A 54 15.362 18.813 7.778 1.00 0.00 C ATOM 814 CG LYS A 54 15.958 18.329 9.091 1.00 0.00 C ATOM 815 CD LYS A 54 17.475 18.325 9.042 1.00 0.00 C ATOM 816 CE LYS A 54 18.041 19.734 9.138 1.00 0.00 C ATOM 817 NZ LYS A 54 18.214 20.171 10.551 1.00 0.00 N ATOM 0 H LYS A 54 15.539 16.679 6.002 1.00 0.00 H new ATOM 0 HA LYS A 54 13.562 17.668 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.164 18.937 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.917 19.796 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.620 18.971 9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.597 17.324 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.865 17.719 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.809 17.860 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.002 19.774 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.376 20.428 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.602 21.136 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.293 20.158 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.868 19.525 11.037 1.00 0.00 H new ATOM 831 N GLU A 55 13.899 18.035 4.813 1.00 0.00 N ATOM 832 CA GLU A 55 13.313 18.574 3.596 1.00 0.00 C ATOM 833 C GLU A 55 13.037 17.470 2.586 1.00 0.00 C ATOM 834 O GLU A 55 13.894 17.120 1.779 1.00 0.00 O ATOM 835 CB GLU A 55 14.231 19.628 2.972 1.00 0.00 C ATOM 836 CG GLU A 55 14.071 21.016 3.569 1.00 0.00 C ATOM 837 CD GLU A 55 14.015 22.094 2.507 1.00 0.00 C ATOM 838 OE1 GLU A 55 14.787 22.013 1.529 1.00 0.00 O ATOM 839 OE2 GLU A 55 13.187 23.020 2.634 1.00 0.00 O ATOM 0 H GLU A 55 14.533 17.250 4.662 1.00 0.00 H new ATOM 0 HA GLU A 55 12.367 19.043 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.267 19.309 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.034 19.679 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.160 21.050 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.903 21.217 4.244 1.00 0.00 H new ATOM 846 N ILE A 56 11.839 16.918 2.643 1.00 0.00 N ATOM 847 CA ILE A 56 11.452 15.872 1.714 1.00 0.00 C ATOM 848 C ILE A 56 10.912 16.491 0.448 1.00 0.00 C ATOM 849 O ILE A 56 9.728 16.816 0.344 1.00 0.00 O ATOM 850 CB ILE A 56 10.401 14.916 2.292 1.00 0.00 C ATOM 851 CG1 ILE A 56 10.885 14.320 3.619 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.107 13.820 1.276 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.149 13.493 3.497 1.00 0.00 C ATOM 0 H ILE A 56 11.120 17.175 3.319 1.00 0.00 H new ATOM 0 HA ILE A 56 12.348 15.286 1.509 1.00 0.00 H new ATOM 0 HB ILE A 56 9.483 15.467 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.060 15.130 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.094 13.697 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.360 13.138 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.728 14.268 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.022 13.269 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.427 13.106 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.975 12.661 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.956 14.116 3.111 1.00 0.00 H new ATOM 865 N LYS A 57 11.804 16.676 -0.495 1.00 0.00 N ATOM 866 CA LYS A 57 11.446 17.224 -1.776 1.00 0.00 C ATOM 867 C LYS A 57 10.965 16.077 -2.635 1.00 0.00 C ATOM 868 O LYS A 57 11.412 14.942 -2.437 1.00 0.00 O ATOM 869 CB LYS A 57 12.650 17.928 -2.412 1.00 0.00 C ATOM 870 CG LYS A 57 13.097 19.172 -1.655 1.00 0.00 C ATOM 871 CD LYS A 57 12.121 20.321 -1.849 1.00 0.00 C ATOM 872 CE LYS A 57 12.188 21.314 -0.701 1.00 0.00 C ATOM 873 NZ LYS A 57 13.427 22.133 -0.730 1.00 0.00 N ATOM 0 H LYS A 57 12.794 16.451 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 57 10.659 17.972 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.483 17.227 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.399 18.206 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.184 18.942 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.087 19.472 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.342 20.832 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.108 19.928 -1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.320 21.972 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.134 20.775 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.081 21.799 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.880 22.044 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.188 23.130 -0.555 1.00 0.00 H new ATOM 887 N PRO A 58 10.025 16.329 -3.551 1.00 0.00 N ATOM 888 CA PRO A 58 9.493 15.289 -4.429 1.00 0.00 C ATOM 889 C PRO A 58 10.614 14.531 -5.138 1.00 0.00 C ATOM 890 O PRO A 58 11.267 15.048 -6.045 1.00 0.00 O ATOM 891 CB PRO A 58 8.632 16.075 -5.415 1.00 0.00 C ATOM 892 CG PRO A 58 8.242 17.313 -4.688 1.00 0.00 C ATOM 893 CD PRO A 58 9.401 17.642 -3.797 1.00 0.00 C ATOM 0 HA PRO A 58 8.932 14.522 -3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.187 16.310 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.755 15.502 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.039 18.128 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.333 17.156 -4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.094 18.333 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.074 18.112 -2.869 1.00 0.00 H new ATOM 901 N GLN A 59 10.826 13.297 -4.706 1.00 0.00 N ATOM 902 CA GLN A 59 11.890 12.464 -5.251 1.00 0.00 C ATOM 903 C GLN A 59 11.343 11.426 -6.213 1.00 0.00 C ATOM 904 O GLN A 59 10.376 10.731 -5.908 1.00 0.00 O ATOM 905 CB GLN A 59 12.655 11.778 -4.119 1.00 0.00 C ATOM 906 CG GLN A 59 13.673 12.681 -3.443 1.00 0.00 C ATOM 907 CD GLN A 59 13.863 12.341 -1.980 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.712 11.526 -1.625 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.067 12.962 -1.120 1.00 0.00 N ATOM 0 H GLN A 59 10.273 12.848 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 59 12.570 13.111 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.944 11.423 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.166 10.901 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.629 12.597 -3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.351 13.719 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.375 13.632 -1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.146 12.770 -0.121 1.00 0.00 H new ATOM 918 N LYS A 60 11.978 11.327 -7.371 1.00 0.00 N ATOM 919 CA LYS A 60 11.579 10.395 -8.403 1.00 0.00 C ATOM 920 C LYS A 60 11.890 8.987 -7.965 1.00 0.00 C ATOM 921 O LYS A 60 12.796 8.767 -7.158 1.00 0.00 O ATOM 922 CB LYS A 60 12.285 10.721 -9.718 1.00 0.00 C ATOM 923 CG LYS A 60 11.993 12.131 -10.205 1.00 0.00 C ATOM 924 CD LYS A 60 12.174 12.268 -11.707 1.00 0.00 C ATOM 925 CE LYS A 60 11.639 13.600 -12.204 1.00 0.00 C ATOM 926 NZ LYS A 60 11.692 13.700 -13.686 1.00 0.00 N ATOM 0 H LYS A 60 12.788 11.896 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 60 10.505 10.482 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.361 10.601 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.974 10.006 -10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.972 12.402 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.653 12.833 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.231 12.181 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.657 11.453 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.610 13.726 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.219 14.411 -11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.318 14.623 -13.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.677 13.605 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.118 12.941 -14.106 1.00 0.00 H new ATOM 940 N LEU A 61 11.122 8.048 -8.477 1.00 0.00 N ATOM 941 CA LEU A 61 11.302 6.650 -8.137 1.00 0.00 C ATOM 942 C LEU A 61 12.737 6.196 -8.366 1.00 0.00 C ATOM 943 O LEU A 61 13.262 6.290 -9.475 1.00 0.00 O ATOM 944 CB LEU A 61 10.329 5.798 -8.929 1.00 0.00 C ATOM 945 CG LEU A 61 8.937 5.722 -8.312 1.00 0.00 C ATOM 946 CD1 LEU A 61 8.068 4.718 -9.047 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.025 5.375 -6.838 1.00 0.00 C ATOM 0 H LEU A 61 10.363 8.228 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 61 11.095 6.528 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.247 6.199 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.733 4.789 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 61 8.472 6.703 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.081 4.684 -8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.971 5.016 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.527 3.731 -8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.022 5.325 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.516 4.409 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.600 6.141 -6.318 1.00 0.00 H new ATOM 959 N GLY A 62 13.352 5.749 -7.277 1.00 0.00 N ATOM 960 CA GLY A 62 14.727 5.283 -7.280 1.00 0.00 C ATOM 961 C GLY A 62 15.043 4.167 -8.267 1.00 0.00 C ATOM 962 O GLY A 62 15.143 4.402 -9.472 1.00 0.00 O ATOM 0 H GLY A 62 12.904 5.701 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.378 6.130 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.977 4.937 -6.277 1.00 0.00 H new ATOM 966 N GLU A 63 15.210 2.947 -7.764 1.00 0.00 N ATOM 967 CA GLU A 63 15.594 1.833 -8.628 1.00 0.00 C ATOM 968 C GLU A 63 14.619 0.658 -8.596 1.00 0.00 C ATOM 969 O GLU A 63 14.383 0.022 -9.623 1.00 0.00 O ATOM 970 CB GLU A 63 16.980 1.328 -8.231 1.00 0.00 C ATOM 971 CG GLU A 63 17.982 2.430 -7.917 1.00 0.00 C ATOM 972 CD GLU A 63 18.814 2.830 -9.116 1.00 0.00 C ATOM 973 OE1 GLU A 63 19.952 2.331 -9.243 1.00 0.00 O ATOM 974 OE2 GLU A 63 18.352 3.662 -9.928 1.00 0.00 O ATOM 0 H GLU A 63 15.088 2.706 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 63 15.587 2.226 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.882 0.682 -7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.375 0.713 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.448 3.304 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.643 2.096 -7.118 1.00 0.00 H new ATOM 981 N ASP A 64 14.052 0.357 -7.439 1.00 0.00 N ATOM 982 CA ASP A 64 13.149 -0.793 -7.331 1.00 0.00 C ATOM 983 C ASP A 64 11.798 -0.363 -6.812 1.00 0.00 C ATOM 984 O ASP A 64 10.897 -1.173 -6.587 1.00 0.00 O ATOM 985 CB ASP A 64 13.747 -1.868 -6.422 1.00 0.00 C ATOM 986 CG ASP A 64 13.164 -3.240 -6.701 1.00 0.00 C ATOM 987 OD1 ASP A 64 12.359 -3.731 -5.884 1.00 0.00 O ATOM 988 OD2 ASP A 64 13.505 -3.834 -7.748 1.00 0.00 O ATOM 0 H ASP A 64 14.192 0.877 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 64 13.020 -1.215 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.828 -1.899 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.566 -1.603 -5.380 1.00 0.00 H new ATOM 993 N GLU A 65 11.666 0.931 -6.646 1.00 0.00 N ATOM 994 CA GLU A 65 10.449 1.534 -6.154 1.00 0.00 C ATOM 995 C GLU A 65 9.395 1.615 -7.262 1.00 0.00 C ATOM 996 O GLU A 65 8.322 2.185 -7.069 1.00 0.00 O ATOM 997 CB GLU A 65 10.790 2.922 -5.644 1.00 0.00 C ATOM 998 CG GLU A 65 11.491 2.936 -4.295 1.00 0.00 C ATOM 999 CD GLU A 65 13.005 2.865 -4.417 1.00 0.00 C ATOM 1000 OE1 GLU A 65 13.512 2.693 -5.547 1.00 0.00 O ATOM 1001 OE2 GLU A 65 13.693 2.978 -3.383 1.00 0.00 O ATOM 0 H GLU A 65 12.407 1.602 -6.850 1.00 0.00 H new ATOM 0 HA GLU A 65 10.031 0.927 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.426 3.420 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.872 3.505 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.217 3.844 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.139 2.094 -3.699 1.00 0.00 H new ATOM 1008 N SER A 66 9.735 1.035 -8.413 1.00 0.00 N ATOM 1009 CA SER A 66 8.882 1.002 -9.600 1.00 0.00 C ATOM 1010 C SER A 66 7.424 0.703 -9.261 1.00 0.00 C ATOM 1011 O SER A 66 7.108 -0.329 -8.663 1.00 0.00 O ATOM 1012 CB SER A 66 9.420 -0.053 -10.568 1.00 0.00 C ATOM 1013 OG SER A 66 10.735 -0.447 -10.197 1.00 0.00 O ATOM 0 H SER A 66 10.630 0.565 -8.549 1.00 0.00 H new ATOM 0 HA SER A 66 8.905 1.990 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.761 -0.921 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.426 0.346 -11.582 1.00 0.00 H new ATOM 0 HG SER A 66 11.063 -1.123 -10.825 1.00 0.00 H new ATOM 1019 N ILE A 67 6.553 1.618 -9.659 1.00 0.00 N ATOM 1020 CA ILE A 67 5.123 1.505 -9.411 1.00 0.00 C ATOM 1021 C ILE A 67 4.391 1.037 -10.669 1.00 0.00 C ATOM 1022 O ILE A 67 4.767 1.431 -11.776 1.00 0.00 O ATOM 1023 CB ILE A 67 4.549 2.876 -8.985 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.137 3.284 -7.645 1.00 0.00 C ATOM 1025 CG2 ILE A 67 3.022 2.870 -8.915 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.735 4.669 -7.225 1.00 0.00 C ATOM 0 H ILE A 67 6.819 2.463 -10.165 1.00 0.00 H new ATOM 0 HA ILE A 67 4.976 0.775 -8.615 1.00 0.00 H new ATOM 0 HB ILE A 67 4.830 3.603 -9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.819 2.572 -6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.224 3.228 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.668 3.855 -8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.614 2.624 -9.895 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.694 2.127 -8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.186 4.902 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.077 5.388 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.650 4.723 -7.140 1.00 0.00 H new ATOM 1038 N PRO A 68 3.378 0.154 -10.525 1.00 0.00 N ATOM 1039 CA PRO A 68 2.572 -0.312 -11.658 1.00 0.00 C ATOM 1040 C PRO A 68 2.092 0.867 -12.503 1.00 0.00 C ATOM 1041 O PRO A 68 1.454 1.791 -11.992 1.00 0.00 O ATOM 1042 CB PRO A 68 1.395 -1.017 -10.988 1.00 0.00 C ATOM 1043 CG PRO A 68 1.944 -1.507 -9.692 1.00 0.00 C ATOM 1044 CD PRO A 68 2.969 -0.489 -9.259 1.00 0.00 C ATOM 0 HA PRO A 68 3.125 -0.960 -12.338 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.559 -0.335 -10.833 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.025 -1.840 -11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.154 -1.606 -8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.398 -2.491 -9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.546 0.233 -8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.814 -0.960 -8.757 1.00 0.00 H new ATOM 1052 N GLU A 69 2.394 0.824 -13.795 1.00 0.00 N ATOM 1053 CA GLU A 69 2.045 1.906 -14.714 1.00 0.00 C ATOM 1054 C GLU A 69 0.545 2.199 -14.758 1.00 0.00 C ATOM 1055 O GLU A 69 0.139 3.268 -15.205 1.00 0.00 O ATOM 1056 CB GLU A 69 2.565 1.601 -16.117 1.00 0.00 C ATOM 1057 CG GLU A 69 4.083 1.582 -16.211 1.00 0.00 C ATOM 1058 CD GLU A 69 4.613 2.439 -17.343 1.00 0.00 C ATOM 1059 OE1 GLU A 69 5.191 3.510 -17.062 1.00 0.00 O ATOM 1060 OE2 GLU A 69 4.460 2.042 -18.522 1.00 0.00 O ATOM 0 H GLU A 69 2.884 0.045 -14.235 1.00 0.00 H new ATOM 0 HA GLU A 69 2.528 2.805 -14.331 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.177 0.634 -16.437 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.175 2.346 -16.810 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.505 1.931 -15.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.421 0.555 -16.350 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.277 1.273 -14.290 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.718 1.488 -14.294 1.00 0.00 C ATOM 1069 C GLU A 70 -2.164 2.315 -13.086 1.00 0.00 C ATOM 1070 O GLU A 70 -3.251 2.888 -13.092 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.463 0.155 -14.328 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.077 -0.793 -13.212 1.00 0.00 C ATOM 1073 CD GLU A 70 -2.393 -2.222 -13.569 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -1.717 -2.769 -14.466 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -3.322 -2.800 -12.966 1.00 0.00 O ATOM 0 H GLU A 70 0.022 0.376 -13.907 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.964 2.050 -15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.534 0.347 -14.273 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.275 -0.331 -15.285 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.012 -0.696 -13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.607 -0.519 -12.300 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.324 2.394 -12.055 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.669 3.155 -10.854 1.00 0.00 C ATOM 1084 C ILE A 71 -0.727 4.348 -10.676 1.00 0.00 C ATOM 1085 O ILE A 71 -1.029 5.302 -9.963 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.647 2.262 -9.586 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.223 1.814 -9.248 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.545 1.044 -9.774 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.110 1.110 -7.909 1.00 0.00 C ATOM 0 H ILE A 71 -0.408 1.945 -12.026 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.685 3.526 -10.987 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.025 2.857 -8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.135 1.146 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.433 2.685 -9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.517 0.429 -8.874 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.568 1.371 -9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.192 0.460 -10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.927 0.821 -7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.436 1.782 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.739 0.220 -7.912 1.00 0.00 H new ATOM 1101 N ILE A 72 0.402 4.284 -11.372 1.00 0.00 N ATOM 1102 CA ILE A 72 1.440 5.319 -11.344 1.00 0.00 C ATOM 1103 C ILE A 72 0.918 6.678 -11.798 1.00 0.00 C ATOM 1104 O ILE A 72 1.493 7.713 -11.477 1.00 0.00 O ATOM 1105 CB ILE A 72 2.599 4.882 -12.253 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.922 5.541 -11.836 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.289 5.142 -13.728 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.329 6.715 -12.699 1.00 0.00 C ATOM 0 H ILE A 72 0.630 3.500 -11.983 1.00 0.00 H new ATOM 0 HA ILE A 72 1.776 5.432 -10.313 1.00 0.00 H new ATOM 0 HB ILE A 72 2.715 3.805 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.838 5.876 -10.802 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.713 4.792 -11.865 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.132 4.820 -14.339 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.398 4.584 -14.016 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.116 6.207 -13.881 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.273 7.122 -12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.448 6.384 -13.731 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.559 7.485 -12.652 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.176 6.674 -12.536 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.750 7.910 -13.034 1.00 0.00 C ATOM 1122 C ASN A 73 -2.014 8.251 -12.266 1.00 0.00 C ATOM 1123 O ASN A 73 -2.783 9.118 -12.672 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.053 7.807 -14.530 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.081 6.742 -14.843 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -3.264 7.027 -15.027 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -1.634 5.501 -14.900 1.00 0.00 N ATOM 0 H ASN A 73 -0.684 5.831 -12.803 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.021 8.707 -12.886 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.412 8.771 -14.892 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.132 7.587 -15.069 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.277 4.736 -15.103 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.645 5.307 -14.741 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.206 7.592 -11.134 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.405 7.850 -10.352 1.00 0.00 C ATOM 1136 C GLY A 74 -3.144 8.316 -8.934 1.00 0.00 C ATOM 1137 O GLY A 74 -4.008 8.132 -8.080 1.00 0.00 O ATOM 0 H GLY A 74 -1.570 6.896 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.002 8.604 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.003 6.940 -10.317 1.00 0.00 H new ATOM 1141 N LYS A 75 -1.986 8.954 -8.697 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.610 9.432 -7.356 1.00 0.00 C ATOM 1143 C LYS A 75 -1.648 8.275 -6.369 1.00 0.00 C ATOM 1144 O LYS A 75 -2.705 7.877 -5.875 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.514 10.578 -6.889 1.00 0.00 C ATOM 1146 CG LYS A 75 -1.840 11.545 -5.918 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.207 12.727 -6.649 1.00 0.00 C ATOM 1148 CE LYS A 75 -0.238 13.497 -5.755 1.00 0.00 C ATOM 1149 NZ LYS A 75 0.150 14.809 -6.342 1.00 0.00 N ATOM 0 H LYS A 75 -1.292 9.151 -9.419 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.595 9.826 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.857 11.135 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.399 10.157 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.574 11.911 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.075 11.016 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.678 12.367 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.990 13.399 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.697 13.659 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.656 12.896 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.638 15.380 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.785 14.653 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.702 15.311 -6.663 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.486 7.762 -6.049 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.407 6.612 -5.170 1.00 0.00 C ATOM 1165 C CYS A 76 0.031 7.002 -3.779 1.00 0.00 C ATOM 1166 O CYS A 76 0.357 8.156 -3.514 1.00 0.00 O ATOM 1167 CB CYS A 76 0.548 5.567 -5.748 1.00 0.00 C ATOM 1168 SG CYS A 76 -0.169 4.569 -7.072 1.00 0.00 S ATOM 0 H CYS A 76 0.413 8.115 -6.378 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.407 6.184 -5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.436 6.072 -6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.876 4.906 -4.946 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.366 5.314 -8.119 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.004 6.034 -2.887 1.00 0.00 N ATOM 1175 CA PHE A 77 0.391 6.243 -1.517 1.00 0.00 C ATOM 1176 C PHE A 77 1.132 5.031 -0.998 1.00 0.00 C ATOM 1177 O PHE A 77 0.574 3.937 -0.904 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.831 6.542 -0.643 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.537 7.804 -1.043 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -1.009 9.038 -0.707 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.719 7.758 -1.766 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.640 10.204 -1.091 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.356 8.922 -2.148 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.816 10.146 -1.809 1.00 0.00 C ATOM 0 H PHE A 77 -0.307 5.083 -3.095 1.00 0.00 H new ATOM 0 HA PHE A 77 1.058 7.104 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.528 5.706 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.517 6.621 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.093 9.089 -0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.146 6.802 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.213 11.161 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.276 8.875 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.314 11.057 -2.106 1.00 0.00 H new ATOM 1194 N PHE A 78 2.401 5.222 -0.695 1.00 0.00 N ATOM 1195 CA PHE A 78 3.217 4.154 -0.156 1.00 0.00 C ATOM 1196 C PHE A 78 2.944 4.092 1.324 1.00 0.00 C ATOM 1197 O PHE A 78 3.463 4.892 2.105 1.00 0.00 O ATOM 1198 CB PHE A 78 4.702 4.394 -0.426 1.00 0.00 C ATOM 1199 CG PHE A 78 5.571 3.192 -0.173 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.549 3.216 0.809 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.411 2.037 -0.923 1.00 0.00 C ATOM 1202 CE1 PHE A 78 7.356 2.115 1.029 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.214 0.933 -0.706 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.185 0.971 0.272 1.00 0.00 C ATOM 0 H PHE A 78 2.890 6.110 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 78 2.966 3.208 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.826 4.708 -1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.046 5.217 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.682 4.104 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.649 1.999 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.120 2.149 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.081 0.042 -1.302 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.811 0.108 0.446 1.00 0.00 H new ATOM 1214 N ILE A 79 2.076 3.181 1.690 1.00 0.00 N ATOM 1215 CA ILE A 79 1.681 3.024 3.066 1.00 0.00 C ATOM 1216 C ILE A 79 2.327 1.832 3.687 1.00 0.00 C ATOM 1217 O ILE A 79 2.938 0.990 3.033 1.00 0.00 O ATOM 1218 CB ILE A 79 0.163 2.838 3.216 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.218 1.434 2.745 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.598 3.908 2.453 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.664 1.289 2.358 1.00 0.00 C ATOM 0 H ILE A 79 1.626 2.531 1.045 1.00 0.00 H new ATOM 0 HA ILE A 79 1.998 3.940 3.564 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.112 2.945 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.404 1.167 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.008 0.722 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.669 3.751 2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.328 4.891 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.343 3.851 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.853 0.265 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.295 1.522 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.893 1.974 1.542 1.00 0.00 H new ATOM 1233 N HIS A 80 2.154 1.796 4.963 1.00 0.00 N ATOM 1234 CA HIS A 80 2.621 0.741 5.779 1.00 0.00 C ATOM 1235 C HIS A 80 1.454 0.381 6.688 1.00 0.00 C ATOM 1236 O HIS A 80 1.094 1.156 7.577 1.00 0.00 O ATOM 1237 CB HIS A 80 3.867 1.237 6.507 1.00 0.00 C ATOM 1238 CG HIS A 80 4.198 0.522 7.766 1.00 0.00 C ATOM 1239 ND1 HIS A 80 5.178 -0.430 7.853 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.683 0.659 8.996 1.00 0.00 C ATOM 1241 CE1 HIS A 80 5.257 -0.855 9.098 1.00 0.00 C ATOM 1242 NE2 HIS A 80 4.352 -0.211 9.823 1.00 0.00 N ATOM 0 H HIS A 80 1.666 2.528 5.480 1.00 0.00 H new ATOM 0 HA HIS A 80 2.923 -0.159 5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.718 1.158 5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.737 2.295 6.734 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.755 -0.758 7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.888 1.330 9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.944 -1.603 9.466 1.00 0.00 H new ATOM 1251 N TYR A 81 0.804 -0.738 6.374 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.365 -1.209 7.114 1.00 0.00 C ATOM 1253 C TYR A 81 -0.145 -1.118 8.620 1.00 0.00 C ATOM 1254 O TYR A 81 0.754 -1.757 9.167 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.703 -2.646 6.709 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.178 -2.785 5.274 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.298 -2.622 4.213 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.501 -3.086 4.982 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -0.721 -2.747 2.905 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -2.932 -3.214 3.673 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.037 -3.045 2.639 1.00 0.00 C ATOM 1262 OH TYR A 81 -2.461 -3.172 1.335 1.00 0.00 O ATOM 0 H TYR A 81 1.073 -1.344 5.599 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.205 -0.562 6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.179 -3.270 6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.476 -3.029 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.738 -2.393 4.415 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.205 -3.223 5.789 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.021 -2.611 2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.966 -3.445 3.463 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.705 -3.433 0.769 1.00 0.00 H new ATOM 1272 N GLN A 82 -0.959 -0.294 9.269 1.00 0.00 N ATOM 1273 CA GLN A 82 -0.879 -0.095 10.712 1.00 0.00 C ATOM 1274 C GLN A 82 -1.014 -1.417 11.460 1.00 0.00 C ATOM 1275 O GLN A 82 -2.028 -2.108 11.355 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.961 0.878 11.181 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.545 2.340 11.120 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.124 3.150 12.262 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.522 3.253 13.330 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -3.294 3.728 12.046 1.00 0.00 N ATOM 0 H GLN A 82 -1.690 0.253 8.813 1.00 0.00 H new ATOM 0 HA GLN A 82 0.101 0.328 10.933 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.852 0.738 10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.237 0.632 12.206 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.457 2.407 11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.870 2.769 10.172 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.759 3.617 11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.731 4.285 12.780 1.00 0.00 H new ATOM 1289 N GLY A 83 0.021 -1.762 12.210 1.00 0.00 N ATOM 1290 CA GLY A 83 0.010 -2.994 12.969 1.00 0.00 C ATOM 1291 C GLY A 83 0.959 -4.024 12.394 1.00 0.00 C ATOM 1292 O GLY A 83 1.354 -4.973 13.074 1.00 0.00 O ATOM 0 H GLY A 83 0.872 -1.208 12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.285 -2.785 14.003 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.001 -3.401 12.984 1.00 0.00 H new ATOM 1296 N TRP A 84 1.330 -3.829 11.139 1.00 0.00 N ATOM 1297 CA TRP A 84 2.237 -4.740 10.455 1.00 0.00 C ATOM 1298 C TRP A 84 3.644 -4.162 10.415 1.00 0.00 C ATOM 1299 O TRP A 84 3.853 -2.998 10.766 1.00 0.00 O ATOM 1300 CB TRP A 84 1.750 -5.001 9.031 1.00 0.00 C ATOM 1301 CG TRP A 84 0.609 -5.971 8.952 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -0.669 -5.705 8.557 1.00 0.00 C ATOM 1303 CD2 TRP A 84 0.648 -7.365 9.275 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -1.427 -6.852 8.608 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -0.641 -7.885 9.045 1.00 0.00 C ATOM 1306 CE3 TRP A 84 1.651 -8.228 9.730 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -0.951 -9.225 9.258 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 1.338 -9.559 9.939 1.00 0.00 C ATOM 1309 CH2 TRP A 84 0.046 -10.044 9.702 1.00 0.00 C ATOM 0 H TRP A 84 1.015 -3.043 10.569 1.00 0.00 H new ATOM 0 HA TRP A 84 2.256 -5.680 11.006 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.444 -4.056 8.582 1.00 0.00 H new ATOM 0 HB3 TRP A 84 2.581 -5.382 8.436 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.033 -4.736 8.249 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.414 -6.922 8.361 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.650 -7.862 9.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.946 -9.604 9.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 2.103 -10.235 10.291 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.166 -11.089 9.874 1.00 0.00 H new ATOM 1320 N LYS A 85 4.609 -4.973 9.994 1.00 0.00 N ATOM 1321 CA LYS A 85 5.987 -4.520 9.906 1.00 0.00 C ATOM 1322 C LYS A 85 6.261 -3.922 8.528 1.00 0.00 C ATOM 1323 O LYS A 85 5.358 -3.815 7.697 1.00 0.00 O ATOM 1324 CB LYS A 85 6.967 -5.661 10.209 1.00 0.00 C ATOM 1325 CG LYS A 85 6.836 -6.862 9.290 1.00 0.00 C ATOM 1326 CD LYS A 85 8.057 -7.763 9.384 1.00 0.00 C ATOM 1327 CE LYS A 85 7.800 -8.976 10.265 1.00 0.00 C ATOM 1328 NZ LYS A 85 7.564 -8.602 11.683 1.00 0.00 N ATOM 0 H LYS A 85 4.461 -5.942 9.710 1.00 0.00 H new ATOM 0 HA LYS A 85 6.139 -3.746 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.985 -5.277 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.817 -5.988 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.942 -7.428 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.709 -6.524 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.342 -8.094 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.897 -7.195 9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.935 -9.521 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.653 -9.652 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.529 -9.462 12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.337 -7.990 12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.661 -8.092 11.762 1.00 0.00 H new ATOM 1342 N SER A 86 7.509 -3.546 8.289 1.00 0.00 N ATOM 1343 CA SER A 86 7.916 -2.935 7.030 1.00 0.00 C ATOM 1344 C SER A 86 7.739 -3.879 5.837 1.00 0.00 C ATOM 1345 O SER A 86 7.716 -3.444 4.687 1.00 0.00 O ATOM 1346 CB SER A 86 9.373 -2.510 7.151 1.00 0.00 C ATOM 1347 OG SER A 86 9.932 -3.019 8.354 1.00 0.00 O ATOM 0 H SER A 86 8.268 -3.655 8.961 1.00 0.00 H new ATOM 0 HA SER A 86 7.276 -2.073 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.939 -2.876 6.294 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.445 -1.422 7.139 1.00 0.00 H new ATOM 0 HG SER A 86 10.870 -2.742 8.422 1.00 0.00 H new ATOM 1353 N SER A 87 7.612 -5.172 6.109 1.00 0.00 N ATOM 1354 CA SER A 87 7.437 -6.164 5.054 1.00 0.00 C ATOM 1355 C SER A 87 6.053 -6.068 4.409 1.00 0.00 C ATOM 1356 O SER A 87 5.744 -6.803 3.470 1.00 0.00 O ATOM 1357 CB SER A 87 7.648 -7.563 5.628 1.00 0.00 C ATOM 1358 OG SER A 87 8.844 -7.614 6.389 1.00 0.00 O ATOM 0 H SER A 87 7.627 -5.559 7.053 1.00 0.00 H new ATOM 0 HA SER A 87 8.177 -5.965 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.799 -7.837 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.694 -8.291 4.818 1.00 0.00 H new ATOM 0 HG SER A 87 9.134 -8.546 6.481 1.00 0.00 H new ATOM 1364 N TRP A 88 5.221 -5.160 4.910 1.00 0.00 N ATOM 1365 CA TRP A 88 3.881 -4.989 4.375 1.00 0.00 C ATOM 1366 C TRP A 88 3.707 -3.627 3.715 1.00 0.00 C ATOM 1367 O TRP A 88 2.596 -3.249 3.354 1.00 0.00 O ATOM 1368 CB TRP A 88 2.832 -5.185 5.468 1.00 0.00 C ATOM 1369 CG TRP A 88 2.510 -6.625 5.718 1.00 0.00 C ATOM 1370 CD1 TRP A 88 3.266 -7.525 6.410 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.350 -7.335 5.269 1.00 0.00 C ATOM 1372 NE1 TRP A 88 2.648 -8.749 6.421 1.00 0.00 N ATOM 1373 CE2 TRP A 88 1.471 -8.660 5.730 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.221 -6.979 4.526 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.508 -9.629 5.471 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.735 -7.944 4.270 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.587 -9.254 4.743 1.00 0.00 C ATOM 0 H TRP A 88 5.453 -4.535 5.682 1.00 0.00 H new ATOM 0 HA TRP A 88 3.738 -5.752 3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 88 3.190 -4.733 6.393 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.920 -4.658 5.187 1.00 0.00 H new ATOM 0 HD1 TRP A 88 4.213 -7.306 6.881 1.00 0.00 H new ATOM 0 HE1 TRP A 88 3.008 -9.590 6.872 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.098 -5.971 4.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.621 -10.641 5.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.611 -7.683 3.695 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.354 -9.983 4.528 1.00 0.00 H new ATOM 1388 N ASP A 89 4.801 -2.886 3.579 1.00 0.00 N ATOM 1389 CA ASP A 89 4.755 -1.583 2.926 1.00 0.00 C ATOM 1390 C ASP A 89 4.310 -1.784 1.478 1.00 0.00 C ATOM 1391 O ASP A 89 4.946 -2.531 0.730 1.00 0.00 O ATOM 1392 CB ASP A 89 6.133 -0.915 2.980 1.00 0.00 C ATOM 1393 CG ASP A 89 6.472 -0.333 4.348 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.053 -0.917 5.380 1.00 0.00 O ATOM 1395 OD2 ASP A 89 7.173 0.700 4.394 1.00 0.00 O ATOM 0 H ASP A 89 5.725 -3.163 3.910 1.00 0.00 H new ATOM 0 HA ASP A 89 4.048 -0.932 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.894 -1.646 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.172 -0.120 2.235 1.00 0.00 H new ATOM 1400 N GLU A 90 3.226 -1.132 1.081 1.00 0.00 N ATOM 1401 CA GLU A 90 2.684 -1.314 -0.261 1.00 0.00 C ATOM 1402 C GLU A 90 2.152 -0.007 -0.855 1.00 0.00 C ATOM 1403 O GLU A 90 1.823 0.936 -0.132 1.00 0.00 O ATOM 1404 CB GLU A 90 1.567 -2.362 -0.194 1.00 0.00 C ATOM 1405 CG GLU A 90 1.162 -2.954 -1.533 1.00 0.00 C ATOM 1406 CD GLU A 90 0.209 -4.123 -1.376 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -0.824 -3.968 -0.688 1.00 0.00 O ATOM 1408 OE2 GLU A 90 0.483 -5.208 -1.940 1.00 0.00 O ATOM 0 H GLU A 90 2.706 -0.476 1.664 1.00 0.00 H new ATOM 0 HA GLU A 90 3.487 -1.650 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.887 -3.171 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.690 -1.907 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.691 -2.183 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.053 -3.283 -2.068 1.00 0.00 H new ATOM 1415 N TRP A 91 2.079 0.027 -2.183 1.00 0.00 N ATOM 1416 CA TRP A 91 1.589 1.189 -2.916 1.00 0.00 C ATOM 1417 C TRP A 91 0.090 1.098 -3.161 1.00 0.00 C ATOM 1418 O TRP A 91 -0.367 0.237 -3.914 1.00 0.00 O ATOM 1419 CB TRP A 91 2.263 1.286 -4.286 1.00 0.00 C ATOM 1420 CG TRP A 91 3.646 1.852 -4.288 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.801 1.168 -4.528 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.022 3.221 -4.085 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.870 2.020 -4.482 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.421 3.287 -4.210 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.316 4.396 -3.807 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.123 4.480 -4.075 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 4.021 5.579 -3.667 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.411 5.612 -3.805 1.00 0.00 C ATOM 0 H TRP A 91 2.358 -0.751 -2.781 1.00 0.00 H new ATOM 0 HA TRP A 91 1.819 2.062 -2.306 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.297 0.289 -4.725 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.638 1.899 -4.936 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.863 0.108 -4.726 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.844 1.756 -4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.241 4.381 -3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.197 4.509 -4.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.488 6.492 -3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.932 6.552 -3.696 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.681 1.973 -2.539 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.117 1.991 -2.771 1.00 0.00 C ATOM 1441 C VAL A 92 -2.472 3.193 -3.629 1.00 0.00 C ATOM 1442 O VAL A 92 -1.677 4.117 -3.769 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.945 2.019 -1.470 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.848 0.680 -0.749 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.503 3.161 -0.570 1.00 0.00 C ATOM 0 H VAL A 92 -0.344 2.672 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.369 1.062 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.990 2.189 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.438 0.716 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.230 -0.110 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.806 0.474 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.102 3.159 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.451 3.035 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.638 4.109 -1.091 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.648 3.178 -4.218 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.062 4.285 -5.052 1.00 0.00 C ATOM 1457 C GLY A 93 -5.375 4.854 -4.590 1.00 0.00 C ATOM 1458 O GLY A 93 -6.102 4.177 -3.876 1.00 0.00 O ATOM 0 H GLY A 93 -4.327 2.421 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.299 5.063 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.151 3.951 -6.086 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.680 6.077 -5.014 1.00 0.00 N ATOM 1463 CA TYR A 94 -6.925 6.791 -4.652 1.00 0.00 C ATOM 1464 C TYR A 94 -8.192 5.969 -4.861 1.00 0.00 C ATOM 1465 O TYR A 94 -9.267 6.314 -4.380 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.042 8.048 -5.496 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.584 9.284 -4.794 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.619 10.095 -5.357 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.118 9.644 -3.569 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.189 11.232 -4.719 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.699 10.777 -2.920 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.734 11.575 -3.496 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.315 12.712 -2.847 1.00 0.00 O ATOM 0 H TYR A 94 -5.069 6.617 -5.627 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.849 7.011 -3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.457 7.920 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.081 8.176 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.196 9.831 -6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.877 9.023 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.430 11.854 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.123 11.043 -1.963 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.801 12.804 -2.001 1.00 0.00 H new ATOM 1483 N ASP A 95 -8.041 4.888 -5.566 1.00 0.00 N ATOM 1484 CA ASP A 95 -9.158 4.008 -5.890 1.00 0.00 C ATOM 1485 C ASP A 95 -9.272 2.875 -4.875 1.00 0.00 C ATOM 1486 O ASP A 95 -10.342 2.299 -4.678 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.979 3.437 -7.299 1.00 0.00 C ATOM 1488 CG ASP A 95 -10.068 2.452 -7.670 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -11.224 2.877 -7.856 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -9.765 1.249 -7.789 1.00 0.00 O ATOM 0 H ASP A 95 -7.144 4.578 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.078 4.591 -5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.972 4.254 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.009 2.944 -7.367 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.172 2.587 -4.199 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.143 1.513 -3.225 1.00 0.00 C ATOM 1497 C ARG A 96 -7.857 2.070 -1.844 1.00 0.00 C ATOM 1498 O ARG A 96 -7.862 1.347 -0.857 1.00 0.00 O ATOM 1499 CB ARG A 96 -7.093 0.472 -3.621 1.00 0.00 C ATOM 1500 CG ARG A 96 -7.547 -0.438 -4.750 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.379 -0.922 -5.592 1.00 0.00 C ATOM 1502 NE ARG A 96 -6.838 -1.663 -6.764 1.00 0.00 N ATOM 1503 CZ ARG A 96 -6.938 -1.150 -7.990 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -6.560 0.098 -8.232 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -7.414 -1.894 -8.980 1.00 0.00 N ATOM 0 H ARG A 96 -7.288 3.083 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.117 1.025 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.179 0.984 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.847 -0.136 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.075 -1.296 -4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.255 0.096 -5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.780 -0.069 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.732 -1.558 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.100 -2.640 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.189 0.674 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.640 0.482 -9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.702 -2.856 -8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.492 -1.504 -9.919 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.592 3.360 -1.786 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.321 4.022 -0.529 1.00 0.00 C ATOM 1521 C ILE A 97 -8.473 4.958 -0.180 1.00 0.00 C ATOM 1522 O ILE A 97 -8.971 5.698 -1.028 1.00 0.00 O ATOM 1523 CB ILE A 97 -5.985 4.799 -0.566 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.647 5.312 0.816 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.040 5.957 -1.534 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.417 6.188 0.855 1.00 0.00 C ATOM 0 H ILE A 97 -7.559 3.972 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.230 3.257 0.242 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.212 4.110 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.496 5.876 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.499 4.463 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.083 6.479 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.248 5.583 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.829 6.646 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.238 6.518 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.556 5.622 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.569 7.057 0.215 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.934 4.878 1.050 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.031 5.708 1.510 1.00 0.00 C ATOM 1540 C ARG A 98 -9.582 6.551 2.701 1.00 0.00 C ATOM 1541 O ARG A 98 -8.425 6.487 3.109 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.237 4.842 1.890 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.458 3.644 0.968 1.00 0.00 C ATOM 1544 CD ARG A 98 -11.741 4.057 -0.473 1.00 0.00 C ATOM 1545 NE ARG A 98 -13.109 4.540 -0.662 1.00 0.00 N ATOM 1546 CZ ARG A 98 -13.683 4.709 -1.856 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -13.016 4.417 -2.970 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -14.928 5.149 -1.931 1.00 0.00 N ATOM 0 H ARG A 98 -8.564 4.242 1.756 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.331 6.374 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.106 4.482 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.133 5.462 1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.576 3.004 0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.292 3.051 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.040 4.838 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.566 3.207 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.658 4.761 0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.061 4.062 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.459 4.548 -3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.447 5.358 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.369 5.279 -2.842 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.506 7.299 3.286 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.187 8.162 4.390 1.00 0.00 C ATOM 1564 C ALA A 99 -10.546 7.461 5.662 1.00 0.00 C ATOM 1565 O ALA A 99 -11.681 7.026 5.849 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.938 9.480 4.296 1.00 0.00 C ATOM 0 H ALA A 99 -11.486 7.318 3.005 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.121 8.387 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.675 10.110 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.668 9.988 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.011 9.289 4.305 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.572 7.315 6.506 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.775 6.668 7.767 1.00 0.00 C ATOM 1574 C TYR A 100 -10.549 7.612 8.679 1.00 0.00 C ATOM 1575 O TYR A 100 -9.984 8.529 9.281 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.404 6.304 8.311 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.360 5.760 9.725 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.385 4.389 9.951 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.264 6.603 10.825 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.321 3.874 11.231 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.205 6.097 12.108 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.230 4.732 12.306 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.163 4.221 13.582 1.00 0.00 O ATOM 0 H TYR A 100 -8.619 7.639 6.343 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.364 5.755 7.684 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.959 5.563 7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.773 7.192 8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.456 3.714 9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.235 7.672 10.674 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.342 2.806 11.389 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.140 6.767 12.953 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.101 4.957 14.226 1.00 0.00 H new ATOM 1593 N ASN A 101 -11.857 7.411 8.715 1.00 0.00 N ATOM 1594 CA ASN A 101 -12.751 8.207 9.531 1.00 0.00 C ATOM 1595 C ASN A 101 -13.973 7.376 9.885 1.00 0.00 C ATOM 1596 O ASN A 101 -14.147 6.274 9.365 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.164 9.505 8.819 1.00 0.00 C ATOM 1598 CG ASN A 101 -13.758 9.274 7.444 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.689 8.486 7.272 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.219 9.962 6.452 1.00 0.00 N ATOM 0 H ASN A 101 -12.328 6.686 8.174 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.228 8.496 10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.890 10.034 9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.292 10.153 8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.573 9.850 5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.449 10.605 6.637 1.00 0.00 H new ATOM 1607 N GLU A 102 -14.833 7.933 10.716 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.027 7.230 11.201 1.00 0.00 C ATOM 1609 C GLU A 102 -16.869 6.634 10.076 1.00 0.00 C ATOM 1610 O GLU A 102 -17.277 5.480 10.150 1.00 0.00 O ATOM 1611 CB GLU A 102 -16.918 8.163 12.035 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.157 9.214 12.822 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.821 10.425 11.978 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -14.624 10.656 11.722 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -16.756 11.127 11.547 1.00 0.00 O ATOM 0 H GLU A 102 -14.733 8.881 11.078 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.653 6.412 11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.623 8.663 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.506 7.561 12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.752 9.525 13.681 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.237 8.778 13.213 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.103 7.410 9.032 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.945 6.971 7.925 1.00 0.00 C ATOM 1624 C GLU A 103 -17.372 5.790 7.146 1.00 0.00 C ATOM 1625 O GLU A 103 -18.114 4.889 6.754 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.199 8.127 6.964 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.276 7.816 5.940 1.00 0.00 C ATOM 1628 CD GLU A 103 -19.929 9.056 5.379 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -20.647 9.743 6.133 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -19.744 9.339 4.178 1.00 0.00 O ATOM 0 H GLU A 103 -16.722 8.350 8.925 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.877 6.632 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.490 9.010 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.272 8.373 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.839 7.241 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.038 7.187 6.401 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.068 5.769 6.933 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.470 4.697 6.142 1.00 0.00 C ATOM 1639 C ASN A 104 -15.167 3.480 6.999 1.00 0.00 C ATOM 1640 O ASN A 104 -15.303 2.337 6.556 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.206 5.186 5.440 1.00 0.00 C ATOM 1642 CG ASN A 104 -13.680 4.183 4.431 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -12.792 3.393 4.731 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.229 4.208 3.223 1.00 0.00 N ATOM 0 H ASN A 104 -15.411 6.464 7.286 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.195 4.400 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -14.416 6.129 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.435 5.387 6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -13.914 3.555 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.966 4.881 3.012 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.791 3.728 8.238 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.471 2.659 9.158 1.00 0.00 C ATOM 1653 C ILE A 105 -15.737 1.950 9.598 1.00 0.00 C ATOM 1654 O ILE A 105 -15.722 0.750 9.879 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.755 3.188 10.383 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.508 3.948 9.963 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.398 2.053 11.326 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.785 4.547 11.126 1.00 0.00 C ATOM 0 H ILE A 105 -14.700 4.665 8.630 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.815 1.961 8.638 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.421 3.869 10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.837 3.274 9.430 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.786 4.738 9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.884 2.454 12.200 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.308 1.543 11.642 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.745 1.346 10.814 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.902 5.079 10.771 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.444 5.244 11.644 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.481 3.756 11.812 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.838 2.700 9.643 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.121 2.144 10.039 1.00 0.00 C ATOM 1672 C ALA A 106 -18.474 1.002 9.113 1.00 0.00 C ATOM 1673 O ALA A 106 -19.095 0.018 9.519 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.207 3.206 10.012 1.00 0.00 C ATOM 0 H ALA A 106 -16.862 3.693 9.409 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.047 1.774 11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.157 2.763 10.312 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.947 4.010 10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.297 3.608 9.003 1.00 0.00 H new ATOM 1680 N MET A 107 -18.053 1.135 7.863 1.00 0.00 N ATOM 1681 CA MET A 107 -18.296 0.098 6.894 1.00 0.00 C ATOM 1682 C MET A 107 -17.344 -1.043 7.159 1.00 0.00 C ATOM 1683 O MET A 107 -17.769 -2.163 7.233 1.00 0.00 O ATOM 1684 CB MET A 107 -18.125 0.590 5.460 1.00 0.00 C ATOM 1685 CG MET A 107 -18.855 -0.267 4.444 1.00 0.00 C ATOM 1686 SD MET A 107 -20.553 -0.641 4.926 1.00 0.00 S ATOM 1687 CE MET A 107 -21.051 -1.713 3.579 1.00 0.00 C ATOM 0 H MET A 107 -17.547 1.946 7.507 1.00 0.00 H new ATOM 0 HA MET A 107 -19.331 -0.228 6.998 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.488 1.615 5.389 1.00 0.00 H new ATOM 0 HB3 MET A 107 -17.063 0.610 5.214 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.861 0.246 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 107 -18.309 -1.200 4.305 1.00 0.00 H new ATOM 0 HE1 MET A 107 -22.082 -2.032 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 107 -20.973 -1.172 2.636 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.401 -2.588 3.551 1.00 0.00 H new ATOM 1697 N LYS A 108 -16.060 -0.728 7.358 1.00 0.00 N ATOM 1698 CA LYS A 108 -15.017 -1.723 7.614 1.00 0.00 C ATOM 1699 C LYS A 108 -15.406 -2.682 8.743 1.00 0.00 C ATOM 1700 O LYS A 108 -15.174 -3.886 8.647 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.708 -1.002 7.946 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.553 -1.930 8.261 1.00 0.00 C ATOM 1703 CD LYS A 108 -12.143 -1.809 9.716 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.665 -1.488 9.854 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.810 -2.670 9.558 1.00 0.00 N ATOM 0 H LYS A 108 -15.714 0.232 7.346 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.889 -2.327 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.431 -0.368 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.874 -0.344 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.839 -2.959 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.705 -1.692 7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.732 -1.028 10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -12.364 -2.741 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.406 -0.674 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.463 -1.138 10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.815 -2.434 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.097 -3.466 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.921 -2.937 8.559 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.979 -2.142 9.808 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.421 -2.964 10.945 1.00 0.00 C ATOM 1721 C LYS A 109 -17.502 -3.938 10.494 1.00 0.00 C ATOM 1722 O LYS A 109 -17.424 -5.141 10.746 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.962 -2.091 12.084 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.073 -0.912 12.455 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.732 -1.356 13.020 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.215 -0.358 14.049 1.00 0.00 C ATOM 1727 NZ LYS A 109 -12.838 -0.679 14.512 1.00 0.00 N ATOM 0 H LYS A 109 -16.152 -1.143 9.917 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.558 -3.518 11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.944 -1.713 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.103 -2.715 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.906 -0.294 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.586 -0.290 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.835 -2.338 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.008 -1.458 12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.226 0.643 13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.889 -0.343 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.533 0.029 15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.830 -1.623 14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.188 -0.668 13.701 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.503 -3.401 9.815 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.603 -4.204 9.292 1.00 0.00 C ATOM 1743 C ARG A 110 -19.084 -5.093 8.171 1.00 0.00 C ATOM 1744 O ARG A 110 -19.547 -6.204 7.961 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.693 -3.270 8.762 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.987 -3.954 8.371 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.941 -2.963 7.725 1.00 0.00 C ATOM 1748 NE ARG A 110 -24.338 -3.280 8.005 1.00 0.00 N ATOM 1749 CZ ARG A 110 -25.343 -2.422 7.837 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -25.109 -1.204 7.358 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -26.581 -2.790 8.142 1.00 0.00 N ATOM 0 H ARG A 110 -18.579 -2.405 9.611 1.00 0.00 H new ATOM 0 HA ARG A 110 -20.019 -4.831 10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.911 -2.521 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.304 -2.738 7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.779 -4.770 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -22.453 -4.394 9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.719 -1.959 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.781 -2.957 6.647 1.00 0.00 H new ATOM 0 HE ARG A 110 -24.558 -4.214 8.350 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.158 -0.924 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -25.881 -0.549 7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -26.760 -3.727 8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -27.353 -2.136 8.015 1.00 0.00 H new ATOM 1765 N LEU A 111 -18.089 -4.576 7.485 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.440 -5.234 6.373 1.00 0.00 C ATOM 1767 C LEU A 111 -16.693 -6.464 6.806 1.00 0.00 C ATOM 1768 O LEU A 111 -16.814 -7.504 6.197 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.483 -4.260 5.702 1.00 0.00 C ATOM 1770 CG LEU A 111 -17.079 -3.482 4.552 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -16.140 -2.377 4.106 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -17.431 -4.375 3.385 1.00 0.00 C ATOM 0 H LEU A 111 -17.697 -3.657 7.692 1.00 0.00 H new ATOM 0 HA LEU A 111 -18.212 -5.549 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -16.119 -3.555 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.618 -4.814 5.338 1.00 0.00 H new ATOM 0 HG LEU A 111 -18.005 -3.034 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.589 -1.830 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.961 -1.694 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -15.194 -2.812 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.856 -3.773 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -16.532 -4.876 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -18.159 -5.121 3.704 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.939 -6.371 7.873 1.00 0.00 N ATOM 1785 CA ALA A 112 -15.188 -7.519 8.317 1.00 0.00 C ATOM 1786 C ALA A 112 -16.120 -8.549 8.911 1.00 0.00 C ATOM 1787 O ALA A 112 -15.714 -9.663 9.215 1.00 0.00 O ATOM 1788 CB ALA A 112 -14.093 -7.124 9.296 1.00 0.00 C ATOM 0 H ALA A 112 -15.829 -5.531 8.441 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.693 -7.962 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.547 -8.014 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.406 -6.429 8.813 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.540 -6.646 10.168 1.00 0.00 H new ATOM 1794 N ASN A 113 -17.364 -8.150 9.114 1.00 0.00 N ATOM 1795 CA ASN A 113 -18.364 -9.049 9.641 1.00 0.00 C ATOM 1796 C ASN A 113 -19.249 -9.595 8.516 1.00 0.00 C ATOM 1797 O ASN A 113 -19.696 -10.739 8.567 1.00 0.00 O ATOM 1798 CB ASN A 113 -19.203 -8.338 10.698 1.00 0.00 C ATOM 1799 CG ASN A 113 -18.605 -8.457 12.084 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -18.902 -9.396 12.822 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.762 -7.504 12.449 1.00 0.00 N ATOM 0 H ASN A 113 -17.701 -7.207 8.920 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.861 -9.895 10.110 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -19.297 -7.284 10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -20.209 -8.757 10.702 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.331 -7.531 13.373 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.543 -6.743 11.806 1.00 0.00 H new ATOM 1808 N GLU A 114 -19.479 -8.774 7.491 1.00 0.00 N ATOM 1809 CA GLU A 114 -20.323 -9.154 6.363 1.00 0.00 C ATOM 1810 C GLU A 114 -19.506 -9.682 5.189 1.00 0.00 C ATOM 1811 O GLU A 114 -19.940 -10.599 4.493 1.00 0.00 O ATOM 1812 CB GLU A 114 -21.191 -7.981 5.907 1.00 0.00 C ATOM 1813 CG GLU A 114 -22.387 -7.726 6.813 1.00 0.00 C ATOM 1814 CD GLU A 114 -23.474 -6.918 6.138 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -23.744 -7.159 4.945 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -24.082 -6.051 6.802 1.00 0.00 O ATOM 0 H GLU A 114 -19.088 -7.835 7.421 1.00 0.00 H new ATOM 0 HA GLU A 114 -20.969 -9.960 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.578 -7.080 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -21.546 -8.173 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -22.800 -8.681 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -22.053 -7.201 7.708 1.00 0.00 H new ATOM 1823 N ALA A 115 -18.317 -9.127 4.960 1.00 0.00 N ATOM 1824 CA ALA A 115 -17.472 -9.596 3.867 1.00 0.00 C ATOM 1825 C ALA A 115 -16.787 -10.877 4.300 1.00 0.00 C ATOM 1826 O ALA A 115 -15.997 -11.473 3.568 1.00 0.00 O ATOM 1827 CB ALA A 115 -16.443 -8.544 3.484 1.00 0.00 C ATOM 0 H ALA A 115 -17.922 -8.363 5.509 1.00 0.00 H new ATOM 0 HA ALA A 115 -18.089 -9.785 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.826 -8.919 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -16.953 -7.635 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.811 -8.323 4.344 1.00 0.00 H new ATOM 1833 N LYS A 116 -17.114 -11.285 5.512 1.00 0.00 N ATOM 1834 CA LYS A 116 -16.556 -12.469 6.109 1.00 0.00 C ATOM 1835 C LYS A 116 -17.625 -13.545 6.258 1.00 0.00 C ATOM 1836 O LYS A 116 -17.340 -14.654 6.714 1.00 0.00 O ATOM 1837 CB LYS A 116 -15.952 -12.096 7.469 1.00 0.00 C ATOM 1838 CG LYS A 116 -16.806 -12.470 8.678 1.00 0.00 C ATOM 1839 CD LYS A 116 -15.951 -12.626 9.929 1.00 0.00 C ATOM 1840 CE LYS A 116 -16.620 -13.512 10.966 1.00 0.00 C ATOM 1841 NZ LYS A 116 -16.530 -14.954 10.606 1.00 0.00 N ATOM 0 H LYS A 116 -17.780 -10.795 6.109 1.00 0.00 H new ATOM 0 HA LYS A 116 -15.773 -12.874 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.981 -12.582 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.773 -11.021 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.562 -11.702 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.336 -13.401 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -14.985 -13.051 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.757 -11.644 10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.152 -13.351 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.667 -13.227 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.922 -15.530 11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.070 -15.129 9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.534 -15.212 10.453 1.00 0.00 H new ATOM 1855 N GLU A 117 -18.854 -13.226 5.856 1.00 0.00 N ATOM 1856 CA GLU A 117 -19.942 -14.180 5.978 1.00 0.00 C ATOM 1857 C GLU A 117 -20.516 -14.591 4.621 1.00 0.00 C ATOM 1858 O GLU A 117 -21.141 -13.798 3.908 1.00 0.00 O ATOM 1859 CB GLU A 117 -21.044 -13.649 6.904 1.00 0.00 C ATOM 1860 CG GLU A 117 -21.652 -12.319 6.486 1.00 0.00 C ATOM 1861 CD GLU A 117 -23.168 -12.348 6.535 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -23.800 -12.740 5.529 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -23.739 -12.004 7.591 1.00 0.00 O ATOM 0 H GLU A 117 -19.114 -12.327 5.450 1.00 0.00 H new ATOM 0 HA GLU A 117 -19.521 -15.079 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.839 -14.393 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -20.634 -13.544 7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -21.283 -11.530 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -21.326 -12.073 5.475 1.00 0.00 H new ATOM 1870 N ALA A 118 -20.265 -15.840 4.273 1.00 0.00 N ATOM 1871 CA ALA A 118 -20.754 -16.436 3.039 1.00 0.00 C ATOM 1872 C ALA A 118 -21.195 -17.862 3.335 1.00 0.00 C ATOM 1873 O ALA A 118 -20.493 -18.594 4.033 1.00 0.00 O ATOM 1874 CB ALA A 118 -19.685 -16.416 1.957 1.00 0.00 C ATOM 0 H ALA A 118 -19.710 -16.477 4.844 1.00 0.00 H new ATOM 0 HA ALA A 118 -21.598 -15.856 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -20.080 -16.868 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -19.393 -15.386 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -18.815 -16.980 2.294 1.00 0.00 H new ATOM 1880 N LYS A 119 -22.345 -18.258 2.811 1.00 0.00 N ATOM 1881 CA LYS A 119 -22.871 -19.594 3.076 1.00 0.00 C ATOM 1882 C LYS A 119 -23.218 -20.345 1.792 1.00 0.00 C ATOM 1883 O LYS A 119 -24.393 -20.510 1.459 1.00 0.00 O ATOM 1884 CB LYS A 119 -24.107 -19.500 3.975 1.00 0.00 C ATOM 1885 CG LYS A 119 -24.996 -18.305 3.662 1.00 0.00 C ATOM 1886 CD LYS A 119 -26.378 -18.465 4.268 1.00 0.00 C ATOM 1887 CE LYS A 119 -27.241 -17.240 4.011 1.00 0.00 C ATOM 1888 NZ LYS A 119 -26.881 -16.111 4.908 1.00 0.00 N ATOM 0 H LYS A 119 -22.929 -17.682 2.205 1.00 0.00 H new ATOM 0 HA LYS A 119 -22.087 -20.158 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -24.691 -20.414 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -23.786 -19.442 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -24.533 -17.396 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -25.083 -18.188 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -26.861 -19.347 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -26.289 -18.631 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -27.129 -16.929 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -28.290 -17.498 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -27.492 -15.295 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -27.012 -16.399 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -25.887 -15.847 4.753 1.00 0.00 H new ATOM 1902 N LYS A 120 -22.193 -20.800 1.085 1.00 0.00 N ATOM 1903 CA LYS A 120 -22.379 -21.551 -0.150 1.00 0.00 C ATOM 1904 C LYS A 120 -21.068 -22.197 -0.563 1.00 0.00 C ATOM 1905 O LYS A 120 -21.089 -23.075 -1.450 1.00 0.00 O ATOM 1906 CB LYS A 120 -22.903 -20.656 -1.284 1.00 0.00 C ATOM 1907 CG LYS A 120 -24.317 -21.007 -1.742 1.00 0.00 C ATOM 1908 CD LYS A 120 -24.486 -22.504 -1.985 1.00 0.00 C ATOM 1909 CE LYS A 120 -24.108 -22.908 -3.406 1.00 0.00 C ATOM 1910 NZ LYS A 120 -22.635 -22.980 -3.599 1.00 0.00 N ATOM 1911 OXT LYS A 120 -20.022 -21.828 0.004 1.00 0.00 O ATOM 0 H LYS A 120 -21.217 -20.661 1.348 1.00 0.00 H new ATOM 0 HA LYS A 120 -23.125 -22.323 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -22.886 -19.618 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -22.226 -20.730 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -25.034 -20.679 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -24.546 -20.463 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -23.869 -23.056 -1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -25.521 -22.786 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -24.550 -23.877 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -24.530 -22.191 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -22.417 -23.658 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -22.273 -22.041 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -22.184 -23.292 -2.715 1.00 0.00 H new TER 1925 LYS A 120