USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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 Single : A 1 GLU N :NH3+ 165:sc= -0.0581 (180deg=-0.66) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.135) USER MOD Single : A 9 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.9!) USER MOD Single : A 10 HIS : no HD1:sc= -0.243 X(o=-0.24,f=0.001) USER MOD Single : A 11 SER OG : rot -60:sc= 0.0848 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -83:sc= -1.5 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.44) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.236) USER MOD Single : A 42 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.7!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 108:sc= 1.29 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0.61 (180deg=0.577) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.68 F(o=-2.2,f=-1.7) USER MOD Single : A 72 SER OG : rot 45:sc= -0.559 USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.875 F(o=-2.5,f=-0.88) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= 1.28 (180deg=0.828) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -71:sc= 0.0418 USER MOD Single : A 93 GLN : amide:sc= -0.977 K(o=-0.98,f=-6.3!) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -0.132 F(o=-0.68,f=-0.13) USER MOD Single : A 95 SER OG : rot -8:sc= 0.463 USER MOD Single : A 96 SER OG : rot -118:sc= 0.296 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.8!) USER MOD Single : A 106 ASN : amide:sc= -0.756 K(o=-0.76,f=-9.5!) USER MOD Single : A 108 SER OG : rot -1:sc= 0.0552! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -23.226 3.506 -5.786 1.00 0.00 N ATOM 2 CA GLU A 1 -22.015 3.662 -6.639 1.00 0.00 C ATOM 3 C GLU A 1 -22.084 4.999 -7.369 1.00 0.00 C ATOM 4 O GLU A 1 -21.633 5.128 -8.506 1.00 0.00 O ATOM 5 CB GLU A 1 -21.909 2.534 -7.669 1.00 0.00 C ATOM 6 CG GLU A 1 -23.231 2.413 -8.430 1.00 0.00 C ATOM 7 CD GLU A 1 -23.080 1.394 -9.555 1.00 0.00 C ATOM 8 OE1 GLU A 1 -22.884 0.230 -9.249 1.00 0.00 O ATOM 9 OE2 GLU A 1 -23.162 1.795 -10.704 1.00 0.00 O ATOM 0 H1 GLU A 1 -23.316 2.513 -5.489 1.00 0.00 H new ATOM 0 H2 GLU A 1 -23.139 4.112 -4.946 1.00 0.00 H new ATOM 0 H3 GLU A 1 -24.070 3.783 -6.327 1.00 0.00 H new ATOM 0 HA GLU A 1 -21.137 3.623 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -21.094 2.737 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -21.676 1.593 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -24.027 2.106 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -23.517 3.382 -8.839 1.00 0.00 H new ATOM 18 N THR A 2 -22.656 5.997 -6.699 1.00 0.00 N ATOM 19 CA THR A 2 -22.781 7.325 -7.292 1.00 0.00 C ATOM 20 C THR A 2 -22.504 8.406 -6.244 1.00 0.00 C ATOM 21 O THR A 2 -23.428 8.922 -5.615 1.00 0.00 O ATOM 22 CB THR A 2 -24.188 7.530 -7.858 1.00 0.00 C ATOM 23 OG1 THR A 2 -24.600 6.351 -8.535 1.00 0.00 O ATOM 24 CG2 THR A 2 -24.182 8.707 -8.834 1.00 0.00 C ATOM 0 H THR A 2 -23.036 5.913 -5.756 1.00 0.00 H new ATOM 0 HA THR A 2 -22.051 7.403 -8.098 1.00 0.00 H new ATOM 0 HB THR A 2 -24.880 7.742 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.502 6.480 -8.897 1.00 0.00 H new ATOM 0 HG21 THR A 2 -25.185 8.851 -9.236 1.00 0.00 H new ATOM 0 HG22 THR A 2 -23.867 9.611 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 2 -23.490 8.499 -9.650 1.00 0.00 H new ATOM 32 N PRO A 3 -21.227 8.762 -6.043 1.00 0.00 N ATOM 33 CA PRO A 3 -20.844 9.789 -5.062 1.00 0.00 C ATOM 34 C PRO A 3 -21.217 11.197 -5.520 1.00 0.00 C ATOM 35 O PRO A 3 -21.802 11.975 -4.766 1.00 0.00 O ATOM 36 CB PRO A 3 -19.327 9.649 -4.956 1.00 0.00 C ATOM 37 CG PRO A 3 -18.900 9.047 -6.250 1.00 0.00 C ATOM 38 CD PRO A 3 -20.048 8.211 -6.739 1.00 0.00 C ATOM 0 HA PRO A 3 -21.361 9.649 -4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -18.852 10.617 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -19.048 9.014 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.651 9.823 -6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.007 8.437 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -20.157 8.280 -7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.902 7.157 -6.500 1.00 0.00 H new ATOM 46 N ARG A 4 -20.872 11.512 -6.764 1.00 0.00 N ATOM 47 CA ARG A 4 -21.174 12.830 -7.317 1.00 0.00 C ATOM 48 C ARG A 4 -21.848 12.694 -8.679 1.00 0.00 C ATOM 49 O ARG A 4 -23.008 13.063 -8.855 1.00 0.00 O ATOM 50 CB ARG A 4 -19.893 13.652 -7.476 1.00 0.00 C ATOM 51 CG ARG A 4 -19.217 13.813 -6.113 1.00 0.00 C ATOM 52 CD ARG A 4 -17.987 14.711 -6.256 1.00 0.00 C ATOM 53 NE ARG A 4 -16.960 14.338 -5.289 1.00 0.00 N ATOM 54 CZ ARG A 4 -16.185 15.258 -4.723 1.00 0.00 C ATOM 55 NH1 ARG A 4 -16.691 16.100 -3.863 1.00 0.00 N ATOM 56 NH2 ARG A 4 -14.917 15.322 -5.027 1.00 0.00 N ATOM 0 H ARG A 4 -20.388 10.881 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 4 -21.847 13.338 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.216 13.159 -8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -20.126 14.630 -7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -19.916 14.247 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -18.925 12.838 -5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -17.588 14.631 -7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -18.272 15.753 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 4 -16.835 13.356 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -17.682 16.052 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.096 16.806 -3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.520 14.666 -5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.323 16.028 -4.592 1.00 0.00 H new ATOM 70 N GLU A 5 -21.102 12.160 -9.643 1.00 0.00 N ATOM 71 CA GLU A 5 -21.633 11.977 -10.991 1.00 0.00 C ATOM 72 C GLU A 5 -21.736 10.492 -11.327 1.00 0.00 C ATOM 73 O GLU A 5 -21.120 9.649 -10.675 1.00 0.00 O ATOM 74 CB GLU A 5 -20.729 12.659 -12.019 1.00 0.00 C ATOM 75 CG GLU A 5 -21.505 12.878 -13.319 1.00 0.00 C ATOM 76 CD GLU A 5 -20.912 14.064 -14.073 1.00 0.00 C ATOM 77 OE1 GLU A 5 -20.570 15.040 -13.426 1.00 0.00 O ATOM 78 OE2 GLU A 5 -20.809 13.978 -15.285 1.00 0.00 O ATOM 0 H GLU A 5 -20.138 11.849 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.625 12.427 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.374 13.614 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.848 12.045 -12.208 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.460 11.981 -13.937 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.557 13.062 -13.100 1.00 0.00 H new ATOM 85 N LYS A 6 -22.523 10.183 -12.353 1.00 0.00 N ATOM 86 CA LYS A 6 -22.703 8.796 -12.772 1.00 0.00 C ATOM 87 C LYS A 6 -21.448 8.284 -13.471 1.00 0.00 C ATOM 88 O LYS A 6 -20.963 7.189 -13.187 1.00 0.00 O ATOM 89 CB LYS A 6 -23.891 8.673 -13.727 1.00 0.00 C ATOM 90 CG LYS A 6 -24.534 7.294 -13.568 1.00 0.00 C ATOM 91 CD LYS A 6 -25.851 7.251 -14.346 1.00 0.00 C ATOM 92 CE LYS A 6 -26.764 6.182 -13.745 1.00 0.00 C ATOM 93 NZ LYS A 6 -27.661 6.757 -12.702 1.00 0.00 N ATOM 0 H LYS A 6 -23.042 10.866 -12.905 1.00 0.00 H new ATOM 0 HA LYS A 6 -22.893 8.198 -11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.622 9.453 -13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.560 8.815 -14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.858 6.522 -13.934 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -24.715 7.085 -12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -26.340 8.225 -14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -25.658 7.031 -15.396 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -27.364 5.729 -14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -26.159 5.388 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -28.268 6.007 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -27.087 7.168 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -28.255 7.498 -13.125 1.00 0.00 H new ATOM 107 N LEU A 7 -20.926 9.091 -14.390 1.00 0.00 N ATOM 108 CA LEU A 7 -19.723 8.712 -15.128 1.00 0.00 C ATOM 109 C LEU A 7 -18.545 9.586 -14.708 1.00 0.00 C ATOM 110 O LEU A 7 -18.708 10.566 -13.980 1.00 0.00 O ATOM 111 CB LEU A 7 -19.946 8.866 -16.633 1.00 0.00 C ATOM 112 CG LEU A 7 -20.458 10.235 -17.087 1.00 0.00 C ATOM 113 CD1 LEU A 7 -19.997 10.504 -18.521 1.00 0.00 C ATOM 114 CD2 LEU A 7 -21.986 10.251 -17.033 1.00 0.00 C ATOM 0 H LEU A 7 -21.311 10.002 -14.640 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.503 7.669 -14.900 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.006 8.661 -17.145 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -20.657 8.106 -16.957 1.00 0.00 H new ATOM 0 HG LEU A 7 -20.062 11.007 -16.427 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.362 11.479 -18.844 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.908 10.493 -18.561 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.392 9.732 -19.181 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -22.351 11.226 -17.356 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -22.381 9.478 -17.692 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -22.316 10.060 -16.012 1.00 0.00 H new ATOM 126 N LYS A 8 -17.354 9.217 -15.176 1.00 0.00 N ATOM 127 CA LYS A 8 -16.146 9.971 -14.846 1.00 0.00 C ATOM 128 C LYS A 8 -15.917 9.980 -13.337 1.00 0.00 C ATOM 129 O LYS A 8 -16.632 10.647 -12.589 1.00 0.00 O ATOM 130 CB LYS A 8 -16.258 11.414 -15.343 1.00 0.00 C ATOM 131 CG LYS A 8 -15.855 11.479 -16.817 1.00 0.00 C ATOM 132 CD LYS A 8 -16.150 12.876 -17.365 1.00 0.00 C ATOM 133 CE LYS A 8 -15.378 13.086 -18.670 1.00 0.00 C ATOM 134 NZ LYS A 8 -13.930 13.326 -18.411 1.00 0.00 N ATOM 0 H LYS A 8 -17.200 8.409 -15.779 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.304 9.485 -15.338 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.279 11.775 -15.218 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.615 12.065 -14.750 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.795 11.251 -16.926 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.403 10.729 -17.388 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.220 12.991 -17.540 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.863 13.633 -16.635 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.495 12.211 -19.309 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.798 13.934 -19.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.483 13.711 -19.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.825 14.005 -17.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.470 12.429 -18.154 1.00 0.00 H new ATOM 148 N GLN A 9 -14.910 9.230 -12.899 1.00 0.00 N ATOM 149 CA GLN A 9 -14.589 9.156 -11.476 1.00 0.00 C ATOM 150 C GLN A 9 -13.093 8.937 -11.277 1.00 0.00 C ATOM 151 O GLN A 9 -12.324 8.895 -12.237 1.00 0.00 O ATOM 152 CB GLN A 9 -15.356 8.007 -10.815 1.00 0.00 C ATOM 153 CG GLN A 9 -15.069 6.702 -11.560 1.00 0.00 C ATOM 154 CD GLN A 9 -16.202 5.713 -11.311 1.00 0.00 C ATOM 155 OE1 GLN A 9 -17.364 6.105 -11.204 1.00 0.00 O ATOM 156 NE2 GLN A 9 -15.931 4.440 -11.214 1.00 0.00 N ATOM 0 H GLN A 9 -14.307 8.670 -13.501 1.00 0.00 H new ATOM 0 HA GLN A 9 -14.880 10.100 -11.015 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.061 7.913 -9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.426 8.216 -10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -14.969 6.895 -12.628 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -14.123 6.279 -11.223 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -14.968 4.115 -11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -16.682 3.770 -11.050 1.00 0.00 H new ATOM 165 N HIS A 10 -12.688 8.798 -10.018 1.00 0.00 N ATOM 166 CA HIS A 10 -11.279 8.583 -9.700 1.00 0.00 C ATOM 167 C HIS A 10 -11.138 7.626 -8.520 1.00 0.00 C ATOM 168 O HIS A 10 -10.651 6.506 -8.666 1.00 0.00 O ATOM 169 CB HIS A 10 -10.600 9.909 -9.349 1.00 0.00 C ATOM 170 CG HIS A 10 -10.062 10.544 -10.602 1.00 0.00 C ATOM 171 ND1 HIS A 10 -8.758 10.343 -11.030 1.00 0.00 N ATOM 172 CD2 HIS A 10 -10.636 11.379 -11.528 1.00 0.00 C ATOM 173 CE1 HIS A 10 -8.594 11.043 -12.167 1.00 0.00 C ATOM 174 NE2 HIS A 10 -9.708 11.693 -12.515 1.00 0.00 N ATOM 0 H HIS A 10 -13.308 8.830 -9.208 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.799 8.151 -10.578 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -11.312 10.578 -8.866 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.791 9.739 -8.639 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -11.654 11.738 -11.495 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.673 11.076 -12.730 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.848 12.291 -13.329 1.00 0.00 H new ATOM 182 N SER A 11 -11.569 8.084 -7.348 1.00 0.00 N ATOM 183 CA SER A 11 -11.487 7.263 -6.143 1.00 0.00 C ATOM 184 C SER A 11 -12.878 7.024 -5.558 1.00 0.00 C ATOM 185 O SER A 11 -13.038 6.854 -4.350 1.00 0.00 O ATOM 186 CB SER A 11 -10.611 7.949 -5.092 1.00 0.00 C ATOM 187 OG SER A 11 -10.621 7.183 -3.895 1.00 0.00 O ATOM 0 H SER A 11 -11.975 9.009 -7.207 1.00 0.00 H new ATOM 0 HA SER A 11 -11.045 6.305 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.591 8.051 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.981 8.955 -4.896 1.00 0.00 H new ATOM 0 HG SER A 11 -11.538 7.117 -3.557 1.00 0.00 H new ATOM 193 N ASP A 12 -13.885 7.011 -6.430 1.00 0.00 N ATOM 194 CA ASP A 12 -15.260 6.790 -5.988 1.00 0.00 C ATOM 195 C ASP A 12 -15.396 5.417 -5.337 1.00 0.00 C ATOM 196 O ASP A 12 -16.051 5.263 -4.306 1.00 0.00 O ATOM 197 CB ASP A 12 -16.226 6.881 -7.172 1.00 0.00 C ATOM 198 CG ASP A 12 -15.790 5.909 -8.265 1.00 0.00 C ATOM 199 OD1 ASP A 12 -14.648 5.996 -8.688 1.00 0.00 O ATOM 200 OD2 ASP A 12 -16.604 5.092 -8.663 1.00 0.00 O ATOM 0 H ASP A 12 -13.777 7.149 -7.435 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.508 7.563 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.239 6.647 -6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.244 7.899 -7.562 1.00 0.00 H new ATOM 205 N ALA A 13 -14.768 4.421 -5.955 1.00 0.00 N ATOM 206 CA ALA A 13 -14.819 3.057 -5.432 1.00 0.00 C ATOM 207 C ALA A 13 -13.575 2.743 -4.597 1.00 0.00 C ATOM 208 O ALA A 13 -13.588 1.830 -3.770 1.00 0.00 O ATOM 209 CB ALA A 13 -14.915 2.052 -6.580 1.00 0.00 C ATOM 0 H ALA A 13 -14.223 4.529 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.702 2.978 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.952 1.040 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.819 2.245 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.043 2.153 -7.226 1.00 0.00 H new ATOM 215 N CYS A 14 -12.500 3.499 -4.822 1.00 0.00 N ATOM 216 CA CYS A 14 -11.259 3.279 -4.082 1.00 0.00 C ATOM 217 C CYS A 14 -11.405 3.744 -2.634 1.00 0.00 C ATOM 218 O CYS A 14 -10.772 3.201 -1.729 1.00 0.00 O ATOM 219 CB CYS A 14 -10.099 4.041 -4.734 1.00 0.00 C ATOM 220 SG CYS A 14 -10.005 3.624 -6.495 1.00 0.00 S ATOM 0 H CYS A 14 -12.463 4.259 -5.501 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.048 2.210 -4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.243 5.115 -4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.161 3.787 -4.240 1.00 0.00 H new ATOM 225 N LYS A 15 -12.244 4.756 -2.425 1.00 0.00 N ATOM 226 CA LYS A 15 -12.464 5.285 -1.080 1.00 0.00 C ATOM 227 C LYS A 15 -13.343 4.347 -0.246 1.00 0.00 C ATOM 228 O LYS A 15 -13.399 4.463 0.978 1.00 0.00 O ATOM 229 CB LYS A 15 -13.130 6.664 -1.147 1.00 0.00 C ATOM 230 CG LYS A 15 -14.461 6.568 -1.909 1.00 0.00 C ATOM 231 CD LYS A 15 -15.631 6.709 -0.930 1.00 0.00 C ATOM 232 CE LYS A 15 -15.767 8.172 -0.502 1.00 0.00 C ATOM 233 NZ LYS A 15 -17.190 8.531 -0.233 1.00 0.00 N ATOM 0 H LYS A 15 -12.777 5.222 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.488 5.370 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.305 7.042 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.468 7.373 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.513 7.349 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.524 5.613 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.554 6.369 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.466 6.078 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.170 8.348 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.368 8.820 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.248 9.529 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.754 8.386 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.562 7.929 0.529 1.00 0.00 H new ATOM 247 N ALA A 16 -14.032 3.419 -0.914 1.00 0.00 N ATOM 248 CA ALA A 16 -14.905 2.476 -0.213 1.00 0.00 C ATOM 249 C ALA A 16 -14.133 1.676 0.841 1.00 0.00 C ATOM 250 O ALA A 16 -14.725 1.129 1.771 1.00 0.00 O ATOM 251 CB ALA A 16 -15.539 1.500 -1.203 1.00 0.00 C ATOM 0 H ALA A 16 -14.003 3.301 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.680 3.060 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.185 0.806 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.129 2.054 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.756 0.943 -1.717 1.00 0.00 H new ATOM 257 N GLU A 17 -12.809 1.606 0.689 1.00 0.00 N ATOM 258 CA GLU A 17 -11.988 0.861 1.642 1.00 0.00 C ATOM 259 C GLU A 17 -10.589 1.466 1.739 1.00 0.00 C ATOM 260 O GLU A 17 -10.062 1.664 2.832 1.00 0.00 O ATOM 261 CB GLU A 17 -11.864 -0.604 1.212 1.00 0.00 C ATOM 262 CG GLU A 17 -11.156 -1.407 2.309 1.00 0.00 C ATOM 263 CD GLU A 17 -12.088 -1.570 3.504 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.159 -2.128 3.325 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.719 -1.134 4.583 1.00 0.00 O ATOM 0 H GLU A 17 -12.291 2.048 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.476 0.918 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.853 -1.022 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.305 -0.673 0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.864 -2.385 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.242 -0.898 2.614 1.00 0.00 H new ATOM 272 N SER A 18 -9.991 1.751 0.586 1.00 0.00 N ATOM 273 CA SER A 18 -8.648 2.325 0.568 1.00 0.00 C ATOM 274 C SER A 18 -8.683 3.792 1.011 1.00 0.00 C ATOM 275 O SER A 18 -8.464 4.097 2.183 1.00 0.00 O ATOM 276 CB SER A 18 -8.027 2.206 -0.831 1.00 0.00 C ATOM 277 OG SER A 18 -7.026 1.199 -0.811 1.00 0.00 O ATOM 0 H SER A 18 -10.405 1.598 -0.333 1.00 0.00 H new ATOM 0 HA SER A 18 -8.029 1.765 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.795 1.958 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.595 3.160 -1.133 1.00 0.00 H new ATOM 0 HG SER A 18 -6.187 1.579 -0.476 1.00 0.00 H new ATOM 283 N GLY A 19 -8.957 4.704 0.070 1.00 0.00 N ATOM 284 CA GLY A 19 -9.014 6.136 0.388 1.00 0.00 C ATOM 285 C GLY A 19 -7.784 6.584 1.184 1.00 0.00 C ATOM 286 O GLY A 19 -7.846 7.530 1.969 1.00 0.00 O ATOM 0 H GLY A 19 -9.141 4.479 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.081 6.712 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.917 6.347 0.962 1.00 0.00 H new ATOM 290 N VAL A 20 -6.670 5.885 0.975 1.00 0.00 N ATOM 291 CA VAL A 20 -5.432 6.209 1.681 1.00 0.00 C ATOM 292 C VAL A 20 -4.987 7.638 1.358 1.00 0.00 C ATOM 293 O VAL A 20 -5.022 8.071 0.206 1.00 0.00 O ATOM 294 CB VAL A 20 -4.324 5.213 1.294 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.031 5.310 -0.206 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.048 5.517 2.088 1.00 0.00 C ATOM 0 H VAL A 20 -6.599 5.099 0.329 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.617 6.136 2.753 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.662 4.203 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.246 4.602 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.935 5.077 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.704 6.321 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.268 4.808 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.714 6.530 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.254 5.429 3.155 1.00 0.00 H new ATOM 306 N SER A 21 -4.568 8.359 2.394 1.00 0.00 N ATOM 307 CA SER A 21 -4.114 9.735 2.219 1.00 0.00 C ATOM 308 C SER A 21 -2.660 9.758 1.759 1.00 0.00 C ATOM 309 O SER A 21 -2.063 8.716 1.492 1.00 0.00 O ATOM 310 CB SER A 21 -4.236 10.508 3.532 1.00 0.00 C ATOM 311 OG SER A 21 -3.402 9.902 4.512 1.00 0.00 O ATOM 0 H SER A 21 -4.533 8.018 3.355 1.00 0.00 H new ATOM 0 HA SER A 21 -4.742 10.206 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.946 11.548 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.272 10.511 3.871 1.00 0.00 H new ATOM 0 HG SER A 21 -3.476 10.396 5.355 1.00 0.00 H new ATOM 317 N GLU A 22 -2.096 10.959 1.670 1.00 0.00 N ATOM 318 CA GLU A 22 -0.708 11.108 1.242 1.00 0.00 C ATOM 319 C GLU A 22 0.229 11.076 2.450 1.00 0.00 C ATOM 320 O GLU A 22 1.048 11.975 2.651 1.00 0.00 O ATOM 321 CB GLU A 22 -0.523 12.425 0.483 1.00 0.00 C ATOM 322 CG GLU A 22 -0.755 12.191 -1.010 1.00 0.00 C ATOM 323 CD GLU A 22 -0.597 13.508 -1.764 1.00 0.00 C ATOM 324 OE1 GLU A 22 0.518 13.998 -1.836 1.00 0.00 O ATOM 325 OE2 GLU A 22 -1.596 14.009 -2.256 1.00 0.00 O ATOM 0 H GLU A 22 -2.572 11.835 1.886 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.463 10.277 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.221 13.174 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.481 12.815 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.044 11.456 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.753 11.784 -1.174 1.00 0.00 H new ATOM 332 N GLU A 23 0.100 10.023 3.252 1.00 0.00 N ATOM 333 CA GLU A 23 0.938 9.872 4.439 1.00 0.00 C ATOM 334 C GLU A 23 1.939 8.741 4.236 1.00 0.00 C ATOM 335 O GLU A 23 3.150 8.960 4.219 1.00 0.00 O ATOM 336 CB GLU A 23 0.079 9.565 5.667 1.00 0.00 C ATOM 337 CG GLU A 23 0.726 10.179 6.910 1.00 0.00 C ATOM 338 CD GLU A 23 0.145 9.527 8.160 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.067 9.427 8.244 1.00 0.00 O ATOM 340 OE2 GLU A 23 0.922 9.137 9.016 1.00 0.00 O ATOM 0 H GLU A 23 -0.570 9.268 3.105 1.00 0.00 H new ATOM 0 HA GLU A 23 1.472 10.809 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.925 9.967 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.023 8.487 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.806 10.034 6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.549 11.254 6.932 1.00 0.00 H new ATOM 347 N SER A 24 1.418 7.527 4.075 1.00 0.00 N ATOM 348 CA SER A 24 2.274 6.364 3.865 1.00 0.00 C ATOM 349 C SER A 24 2.921 6.426 2.485 1.00 0.00 C ATOM 350 O SER A 24 4.044 5.963 2.288 1.00 0.00 O ATOM 351 CB SER A 24 1.463 5.074 3.979 1.00 0.00 C ATOM 352 OG SER A 24 0.630 5.142 5.128 1.00 0.00 O ATOM 0 H SER A 24 0.418 7.325 4.086 1.00 0.00 H new ATOM 0 HA SER A 24 3.049 6.371 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.857 4.932 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.131 4.216 4.051 1.00 0.00 H new ATOM 0 HG SER A 24 0.107 4.316 5.202 1.00 0.00 H new ATOM 358 N LEU A 25 2.197 7.008 1.532 1.00 0.00 N ATOM 359 CA LEU A 25 2.701 7.135 0.168 1.00 0.00 C ATOM 360 C LEU A 25 3.988 7.954 0.148 1.00 0.00 C ATOM 361 O LEU A 25 4.925 7.649 -0.590 1.00 0.00 O ATOM 362 CB LEU A 25 1.657 7.821 -0.715 1.00 0.00 C ATOM 363 CG LEU A 25 0.467 6.954 -1.147 1.00 0.00 C ATOM 364 CD1 LEU A 25 0.924 5.947 -2.203 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.105 6.199 0.060 1.00 0.00 C ATOM 0 H LEU A 25 1.265 7.397 1.678 1.00 0.00 H new ATOM 0 HA LEU A 25 2.906 6.135 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.273 8.690 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.155 8.192 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.306 7.600 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.078 5.332 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.317 6.480 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.704 5.310 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.949 5.588 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.666 5.558 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.440 6.914 0.811 1.00 0.00 H new ATOM 377 N ASN A 26 4.021 9.000 0.969 1.00 0.00 N ATOM 378 CA ASN A 26 5.198 9.861 1.044 1.00 0.00 C ATOM 379 C ASN A 26 6.368 9.107 1.665 1.00 0.00 C ATOM 380 O ASN A 26 7.521 9.286 1.271 1.00 0.00 O ATOM 381 CB ASN A 26 4.901 11.103 1.886 1.00 0.00 C ATOM 382 CG ASN A 26 4.078 12.091 1.066 1.00 0.00 C ATOM 383 OD1 ASN A 26 4.154 12.101 -0.163 1.00 0.00 O ATOM 384 ND2 ASN A 26 3.288 12.929 1.678 1.00 0.00 N ATOM 0 H ASN A 26 3.255 9.270 1.586 1.00 0.00 H new ATOM 0 HA ASN A 26 5.458 10.166 0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.358 10.822 2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.833 11.569 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.733 13.593 1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.225 12.920 2.696 1.00 0.00 H new ATOM 391 N LYS A 27 6.057 8.261 2.642 1.00 0.00 N ATOM 392 CA LYS A 27 7.090 7.478 3.316 1.00 0.00 C ATOM 393 C LYS A 27 7.786 6.547 2.328 1.00 0.00 C ATOM 394 O LYS A 27 8.969 6.236 2.475 1.00 0.00 O ATOM 395 CB LYS A 27 6.477 6.644 4.443 1.00 0.00 C ATOM 396 CG LYS A 27 5.886 7.574 5.505 1.00 0.00 C ATOM 397 CD LYS A 27 5.290 6.742 6.642 1.00 0.00 C ATOM 398 CE LYS A 27 4.684 7.674 7.693 1.00 0.00 C ATOM 399 NZ LYS A 27 4.742 7.070 9.054 1.00 0.00 N ATOM 0 H LYS A 27 5.109 8.100 2.983 1.00 0.00 H new ATOM 0 HA LYS A 27 7.820 8.172 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.701 5.990 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.237 6.002 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.659 8.237 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.117 8.206 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.526 6.070 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.062 6.119 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.220 8.623 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.648 7.892 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.323 7.727 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.210 6.176 9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.733 6.885 9.310 1.00 0.00 H new ATOM 413 N VAL A 28 7.041 6.105 1.317 1.00 0.00 N ATOM 414 CA VAL A 28 7.596 5.209 0.305 1.00 0.00 C ATOM 415 C VAL A 28 8.765 5.872 -0.421 1.00 0.00 C ATOM 416 O VAL A 28 9.682 5.199 -0.890 1.00 0.00 O ATOM 417 CB VAL A 28 6.523 4.826 -0.720 1.00 0.00 C ATOM 418 CG1 VAL A 28 7.069 3.749 -1.658 1.00 0.00 C ATOM 419 CG2 VAL A 28 5.291 4.286 0.010 1.00 0.00 C ATOM 0 H VAL A 28 6.061 6.350 1.177 1.00 0.00 H new ATOM 0 HA VAL A 28 7.950 4.312 0.813 1.00 0.00 H new ATOM 0 HB VAL A 28 6.248 5.707 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.304 3.478 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.947 4.131 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.346 2.868 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.527 4.013 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.569 3.407 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.898 5.053 0.678 1.00 0.00 H new ATOM 429 N ARG A 29 8.724 7.202 -0.511 1.00 0.00 N ATOM 430 CA ARG A 29 9.787 7.949 -1.185 1.00 0.00 C ATOM 431 C ARG A 29 11.146 7.644 -0.556 1.00 0.00 C ATOM 432 O ARG A 29 12.176 7.661 -1.230 1.00 0.00 O ATOM 433 CB ARG A 29 9.524 9.454 -1.093 1.00 0.00 C ATOM 434 CG ARG A 29 8.286 9.808 -1.919 1.00 0.00 C ATOM 435 CD ARG A 29 8.648 9.825 -3.404 1.00 0.00 C ATOM 436 NE ARG A 29 7.447 9.937 -4.226 1.00 0.00 N ATOM 437 CZ ARG A 29 7.531 10.118 -5.541 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.032 9.181 -6.298 1.00 0.00 N ATOM 439 NH2 ARG A 29 7.111 11.233 -6.075 1.00 0.00 N ATOM 0 H ARG A 29 7.974 7.779 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 29 9.797 7.642 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.376 9.745 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.389 10.008 -1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.494 9.082 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.901 10.782 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.316 10.661 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.188 8.914 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 29 6.529 9.876 -3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.359 8.309 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.096 9.320 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.718 11.966 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.176 11.372 -7.083 1.00 0.00 H new ATOM 453 N ASN A 30 11.134 7.362 0.744 1.00 0.00 N ATOM 454 CA ASN A 30 12.367 7.049 1.458 1.00 0.00 C ATOM 455 C ASN A 30 12.367 5.591 1.901 1.00 0.00 C ATOM 456 O ASN A 30 11.322 4.941 1.943 1.00 0.00 O ATOM 457 CB ASN A 30 12.516 7.945 2.689 1.00 0.00 C ATOM 458 CG ASN A 30 13.984 8.015 3.093 1.00 0.00 C ATOM 459 OD1 ASN A 30 14.419 7.310 4.004 1.00 0.00 O ATOM 460 ND2 ASN A 30 14.784 8.833 2.463 1.00 0.00 N ATOM 0 H ASN A 30 10.292 7.344 1.320 1.00 0.00 H new ATOM 0 HA ASN A 30 13.203 7.224 0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.140 8.945 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.920 7.552 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.768 8.887 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.425 9.417 1.708 1.00 0.00 H new ATOM 467 N ARG A 31 13.551 5.083 2.232 1.00 0.00 N ATOM 468 CA ARG A 31 13.675 3.696 2.672 1.00 0.00 C ATOM 469 C ARG A 31 13.162 3.546 4.104 1.00 0.00 C ATOM 470 O ARG A 31 13.933 3.365 5.047 1.00 0.00 O ATOM 471 CB ARG A 31 15.138 3.244 2.605 1.00 0.00 C ATOM 472 CG ARG A 31 15.400 2.552 1.266 1.00 0.00 C ATOM 473 CD ARG A 31 16.908 2.418 1.045 1.00 0.00 C ATOM 474 NE ARG A 31 17.567 3.713 1.190 1.00 0.00 N ATOM 475 CZ ARG A 31 18.850 3.795 1.532 1.00 0.00 C ATOM 476 NH1 ARG A 31 19.773 3.397 0.699 1.00 0.00 N ATOM 477 NH2 ARG A 31 19.186 4.272 2.699 1.00 0.00 N ATOM 0 H ARG A 31 14.428 5.603 2.205 1.00 0.00 H new ATOM 0 HA ARG A 31 13.076 3.072 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.800 4.103 2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.357 2.563 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.932 1.568 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.953 3.126 0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.324 1.710 1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.101 2.015 0.051 1.00 0.00 H new ATOM 0 HE ARG A 31 17.035 4.568 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.510 3.024 -0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.757 3.459 0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.465 4.582 3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.170 4.334 2.960 1.00 0.00 H new ATOM 491 N GLU A 32 11.842 3.628 4.252 1.00 0.00 N ATOM 492 CA GLU A 32 11.222 3.502 5.570 1.00 0.00 C ATOM 493 C GLU A 32 10.453 2.187 5.684 1.00 0.00 C ATOM 494 O GLU A 32 10.288 1.643 6.777 1.00 0.00 O ATOM 495 CB GLU A 32 10.259 4.665 5.821 1.00 0.00 C ATOM 496 CG GLU A 32 11.018 5.826 6.465 1.00 0.00 C ATOM 497 CD GLU A 32 10.022 6.847 7.006 1.00 0.00 C ATOM 498 OE1 GLU A 32 9.087 6.437 7.674 1.00 0.00 O ATOM 499 OE2 GLU A 32 10.209 8.024 6.745 1.00 0.00 O ATOM 0 H GLU A 32 11.186 3.779 3.485 1.00 0.00 H new ATOM 0 HA GLU A 32 12.018 3.519 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.809 4.987 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.445 4.343 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.652 5.457 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.675 6.296 5.733 1.00 0.00 H new ATOM 506 N GLU A 33 9.981 1.679 4.544 1.00 0.00 N ATOM 507 CA GLU A 33 9.228 0.425 4.525 1.00 0.00 C ATOM 508 C GLU A 33 7.912 0.581 5.282 1.00 0.00 C ATOM 509 O GLU A 33 7.896 0.848 6.483 1.00 0.00 O ATOM 510 CB GLU A 33 10.038 -0.710 5.161 1.00 0.00 C ATOM 511 CG GLU A 33 9.463 -2.057 4.719 1.00 0.00 C ATOM 512 CD GLU A 33 10.583 -3.088 4.641 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.554 -2.827 3.950 1.00 0.00 O ATOM 514 OE2 GLU A 33 10.455 -4.124 5.274 1.00 0.00 O ATOM 0 H GLU A 33 10.106 2.113 3.629 1.00 0.00 H new ATOM 0 HA GLU A 33 9.024 0.178 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.084 -0.634 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.007 -0.628 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.699 -2.387 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.979 -1.956 3.748 1.00 0.00 H new ATOM 521 N VAL A 34 6.808 0.412 4.560 1.00 0.00 N ATOM 522 CA VAL A 34 5.483 0.535 5.164 1.00 0.00 C ATOM 523 C VAL A 34 4.663 -0.724 4.899 1.00 0.00 C ATOM 524 O VAL A 34 4.951 -1.487 3.978 1.00 0.00 O ATOM 525 CB VAL A 34 4.741 1.745 4.590 1.00 0.00 C ATOM 526 CG1 VAL A 34 3.442 1.967 5.367 1.00 0.00 C ATOM 527 CG2 VAL A 34 5.624 2.990 4.712 1.00 0.00 C ATOM 0 H VAL A 34 6.803 0.191 3.564 1.00 0.00 H new ATOM 0 HA VAL A 34 5.612 0.668 6.238 1.00 0.00 H new ATOM 0 HB VAL A 34 4.510 1.562 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.915 2.829 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.811 1.082 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.672 2.149 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.096 3.852 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.856 3.170 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.550 2.835 4.158 1.00 0.00 H new ATOM 537 N ASP A 35 3.635 -0.933 5.718 1.00 0.00 N ATOM 538 CA ASP A 35 2.777 -2.105 5.563 1.00 0.00 C ATOM 539 C ASP A 35 1.340 -1.775 5.959 1.00 0.00 C ATOM 540 O ASP A 35 0.956 -1.903 7.121 1.00 0.00 O ATOM 541 CB ASP A 35 3.282 -3.256 6.434 1.00 0.00 C ATOM 542 CG ASP A 35 2.896 -4.586 5.794 1.00 0.00 C ATOM 543 OD1 ASP A 35 1.728 -4.754 5.483 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.772 -5.416 5.624 1.00 0.00 O ATOM 0 H ASP A 35 3.378 -0.314 6.487 1.00 0.00 H new ATOM 0 HA ASP A 35 2.804 -2.403 4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.365 -3.194 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.855 -3.184 7.434 1.00 0.00 H new ATOM 549 N ASP A 36 0.550 -1.351 4.975 1.00 0.00 N ATOM 550 CA ASP A 36 -0.847 -1.006 5.226 1.00 0.00 C ATOM 551 C ASP A 36 -1.741 -1.563 4.115 1.00 0.00 C ATOM 552 O ASP A 36 -1.299 -1.726 2.978 1.00 0.00 O ATOM 553 CB ASP A 36 -1.022 0.512 5.296 1.00 0.00 C ATOM 554 CG ASP A 36 -0.713 0.995 6.709 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.457 1.088 7.039 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.652 1.267 7.440 1.00 0.00 O ATOM 0 H ASP A 36 0.849 -1.239 4.006 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.136 -1.446 6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.359 0.999 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.041 0.784 5.022 1.00 0.00 H new ATOM 561 N PRO A 37 -3.010 -1.864 4.429 1.00 0.00 N ATOM 562 CA PRO A 37 -3.956 -2.408 3.442 1.00 0.00 C ATOM 563 C PRO A 37 -4.385 -1.369 2.407 1.00 0.00 C ATOM 564 O PRO A 37 -4.338 -1.618 1.202 1.00 0.00 O ATOM 565 CB PRO A 37 -5.153 -2.848 4.283 1.00 0.00 C ATOM 566 CG PRO A 37 -5.090 -2.010 5.512 1.00 0.00 C ATOM 567 CD PRO A 37 -3.639 -1.708 5.753 1.00 0.00 C ATOM 0 HA PRO A 37 -3.509 -3.217 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.090 -2.693 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.096 -3.909 4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.661 -1.090 5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.522 -2.537 6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.502 -0.699 6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.206 -2.393 6.482 1.00 0.00 H new ATOM 575 N LYS A 38 -4.805 -0.201 2.892 1.00 0.00 N ATOM 576 CA LYS A 38 -5.246 0.875 2.002 1.00 0.00 C ATOM 577 C LYS A 38 -4.148 1.238 1.003 1.00 0.00 C ATOM 578 O LYS A 38 -4.426 1.624 -0.132 1.00 0.00 O ATOM 579 CB LYS A 38 -5.608 2.125 2.809 1.00 0.00 C ATOM 580 CG LYS A 38 -6.674 1.780 3.851 1.00 0.00 C ATOM 581 CD LYS A 38 -7.133 3.062 4.549 1.00 0.00 C ATOM 582 CE LYS A 38 -8.607 2.933 4.940 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.917 3.726 6.163 1.00 0.00 N ATOM 0 H LYS A 38 -4.850 0.024 3.886 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.123 0.518 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.720 2.521 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.977 2.905 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.522 1.290 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.271 1.079 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.525 3.243 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.995 3.918 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.235 3.272 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.848 1.884 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.923 3.617 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.335 3.385 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.709 4.730 5.988 1.00 0.00 H new ATOM 597 N LEU A 39 -2.898 1.111 1.441 1.00 0.00 N ATOM 598 CA LEU A 39 -1.764 1.429 0.579 1.00 0.00 C ATOM 599 C LEU A 39 -1.716 0.475 -0.614 1.00 0.00 C ATOM 600 O LEU A 39 -1.703 0.902 -1.769 1.00 0.00 O ATOM 601 CB LEU A 39 -0.450 1.332 1.364 1.00 0.00 C ATOM 602 CG LEU A 39 0.532 2.487 1.142 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.807 2.236 1.949 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.882 2.578 -0.344 1.00 0.00 C ATOM 0 H LEU A 39 -2.647 0.794 2.377 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.889 2.449 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.684 1.275 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.046 0.399 1.097 1.00 0.00 H new ATOM 0 HG LEU A 39 0.074 3.421 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.505 3.058 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.560 2.169 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.266 1.302 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.581 3.399 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.340 1.644 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.025 2.756 -0.921 1.00 0.00 H new ATOM 616 N LYS A 40 -1.688 -0.821 -0.318 1.00 0.00 N ATOM 617 CA LYS A 40 -1.641 -1.833 -1.372 1.00 0.00 C ATOM 618 C LYS A 40 -2.895 -1.764 -2.238 1.00 0.00 C ATOM 619 O LYS A 40 -2.829 -1.865 -3.463 1.00 0.00 O ATOM 620 CB LYS A 40 -1.533 -3.235 -0.765 1.00 0.00 C ATOM 621 CG LYS A 40 -0.368 -3.279 0.226 1.00 0.00 C ATOM 622 CD LYS A 40 0.164 -4.710 0.327 1.00 0.00 C ATOM 623 CE LYS A 40 1.211 -4.787 1.440 1.00 0.00 C ATOM 624 NZ LYS A 40 2.558 -4.383 0.948 1.00 0.00 N ATOM 0 H LYS A 40 -1.697 -1.194 0.631 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.764 -1.634 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.463 -3.496 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.381 -3.972 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.426 -2.607 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.697 -2.932 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.654 -5.400 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.604 -5.014 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.915 -4.140 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.255 -5.804 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.276 -4.636 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.763 -4.875 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.576 -3.355 0.789 1.00 0.00 H new ATOM 638 N GLU A 41 -4.041 -1.593 -1.584 1.00 0.00 N ATOM 639 CA GLU A 41 -5.314 -1.516 -2.298 1.00 0.00 C ATOM 640 C GLU A 41 -5.352 -0.290 -3.207 1.00 0.00 C ATOM 641 O GLU A 41 -5.681 -0.386 -4.389 1.00 0.00 O ATOM 642 CB GLU A 41 -6.476 -1.434 -1.308 1.00 0.00 C ATOM 643 CG GLU A 41 -6.860 -2.842 -0.850 1.00 0.00 C ATOM 644 CD GLU A 41 -8.351 -2.884 -0.532 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.730 -2.360 0.503 1.00 0.00 O ATOM 646 OE2 GLU A 41 -9.090 -3.438 -1.328 1.00 0.00 O ATOM 0 H GLU A 41 -4.116 -1.506 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.410 -2.417 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.193 -0.826 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.332 -0.947 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.623 -3.567 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.281 -3.120 0.031 1.00 0.00 H new ATOM 653 N HIS A 42 -5.019 0.868 -2.637 1.00 0.00 N ATOM 654 CA HIS A 42 -5.021 2.123 -3.397 1.00 0.00 C ATOM 655 C HIS A 42 -4.186 2.002 -4.672 1.00 0.00 C ATOM 656 O HIS A 42 -4.599 2.449 -5.742 1.00 0.00 O ATOM 657 CB HIS A 42 -4.457 3.259 -2.542 1.00 0.00 C ATOM 658 CG HIS A 42 -4.702 4.576 -3.227 1.00 0.00 C ATOM 659 ND1 HIS A 42 -3.803 5.629 -3.151 1.00 0.00 N ATOM 660 CD2 HIS A 42 -5.740 5.026 -4.005 1.00 0.00 C ATOM 661 CE1 HIS A 42 -4.312 6.649 -3.864 1.00 0.00 C ATOM 662 NE2 HIS A 42 -5.492 6.336 -4.406 1.00 0.00 N ATOM 0 H HIS A 42 -4.746 0.966 -1.659 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.054 2.339 -3.671 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.928 3.256 -1.559 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.388 3.113 -2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.616 4.451 -4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.826 7.606 -3.984 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.084 6.929 -4.988 1.00 0.00 H new ATOM 670 N ALA A 43 -3.008 1.395 -4.547 1.00 0.00 N ATOM 671 CA ALA A 43 -2.116 1.223 -5.697 1.00 0.00 C ATOM 672 C ALA A 43 -2.825 0.492 -6.838 1.00 0.00 C ATOM 673 O ALA A 43 -2.799 0.933 -7.987 1.00 0.00 O ATOM 674 CB ALA A 43 -0.876 0.423 -5.296 1.00 0.00 C ATOM 0 H ALA A 43 -2.649 1.016 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.822 2.217 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.224 0.304 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.340 0.953 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.178 -0.559 -4.932 1.00 0.00 H new ATOM 680 N PHE A 44 -3.455 -0.629 -6.504 1.00 0.00 N ATOM 681 CA PHE A 44 -4.171 -1.424 -7.502 1.00 0.00 C ATOM 682 C PHE A 44 -5.261 -0.592 -8.180 1.00 0.00 C ATOM 683 O PHE A 44 -5.611 -0.830 -9.337 1.00 0.00 O ATOM 684 CB PHE A 44 -4.808 -2.650 -6.843 1.00 0.00 C ATOM 685 CG PHE A 44 -5.370 -3.569 -7.903 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.556 -4.009 -8.956 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.704 -3.985 -7.829 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.080 -4.864 -9.933 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.226 -4.839 -8.806 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.415 -5.280 -9.858 1.00 0.00 C ATOM 0 H PHE A 44 -3.486 -1.008 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.452 -1.746 -8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.066 -3.180 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.600 -2.338 -6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.526 -3.689 -9.014 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.331 -3.647 -7.017 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.454 -5.203 -10.745 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.256 -5.158 -8.749 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.818 -5.941 -10.611 1.00 0.00 H new ATOM 700 N CYS A 45 -5.794 0.382 -7.448 1.00 0.00 N ATOM 701 CA CYS A 45 -6.845 1.241 -7.988 1.00 0.00 C ATOM 702 C CYS A 45 -6.308 2.070 -9.155 1.00 0.00 C ATOM 703 O CYS A 45 -6.896 2.099 -10.237 1.00 0.00 O ATOM 704 CB CYS A 45 -7.376 2.183 -6.892 1.00 0.00 C ATOM 705 SG CYS A 45 -9.114 1.812 -6.530 1.00 0.00 S ATOM 0 H CYS A 45 -5.520 0.596 -6.489 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.657 0.607 -8.344 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.778 2.073 -5.988 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.278 3.219 -7.215 1.00 0.00 H new ATOM 710 N ILE A 46 -5.185 2.745 -8.923 1.00 0.00 N ATOM 711 CA ILE A 46 -4.576 3.576 -9.960 1.00 0.00 C ATOM 712 C ILE A 46 -3.968 2.681 -11.048 1.00 0.00 C ATOM 713 O ILE A 46 -3.907 3.062 -12.217 1.00 0.00 O ATOM 714 CB ILE A 46 -3.503 4.506 -9.342 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.194 5.644 -8.579 1.00 0.00 C ATOM 716 CG2 ILE A 46 -2.613 5.133 -10.429 1.00 0.00 C ATOM 717 CD1 ILE A 46 -4.961 5.085 -7.381 1.00 0.00 C ATOM 0 H ILE A 46 -4.682 2.734 -8.036 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.342 4.204 -10.415 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.884 3.905 -8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.453 6.368 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.877 6.174 -9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.870 5.780 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.108 4.344 -10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.229 5.720 -11.110 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.447 5.901 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.715 4.379 -7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.268 4.575 -6.711 1.00 0.00 H new ATOM 729 N LEU A 47 -3.527 1.486 -10.654 1.00 0.00 N ATOM 730 CA LEU A 47 -2.938 0.550 -11.612 1.00 0.00 C ATOM 731 C LEU A 47 -3.954 0.207 -12.701 1.00 0.00 C ATOM 732 O LEU A 47 -3.629 0.172 -13.888 1.00 0.00 O ATOM 733 CB LEU A 47 -2.490 -0.736 -10.900 1.00 0.00 C ATOM 734 CG LEU A 47 -0.976 -0.933 -10.779 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.383 -1.181 -12.167 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.339 0.317 -10.166 1.00 0.00 C ATOM 0 H LEU A 47 -3.565 1.147 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.068 1.023 -12.067 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.920 -0.744 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.908 -1.590 -11.434 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.774 -1.790 -10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.695 -1.321 -12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.832 -2.074 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.588 -0.324 -12.809 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.738 0.172 -10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.541 1.178 -10.803 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.760 0.492 -9.176 1.00 0.00 H new ATOM 748 N LYS A 48 -5.190 -0.038 -12.276 1.00 0.00 N ATOM 749 CA LYS A 48 -6.257 -0.371 -13.215 1.00 0.00 C ATOM 750 C LYS A 48 -6.601 0.842 -14.074 1.00 0.00 C ATOM 751 O LYS A 48 -6.831 0.722 -15.277 1.00 0.00 O ATOM 752 CB LYS A 48 -7.512 -0.819 -12.461 1.00 0.00 C ATOM 753 CG LYS A 48 -7.498 -2.341 -12.301 1.00 0.00 C ATOM 754 CD LYS A 48 -8.267 -2.729 -11.037 1.00 0.00 C ATOM 755 CE LYS A 48 -9.745 -2.372 -11.204 1.00 0.00 C ATOM 756 NZ LYS A 48 -10.585 -3.026 -10.161 1.00 0.00 N ATOM 0 H LYS A 48 -5.476 -0.013 -11.297 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.907 -1.184 -13.852 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.551 -0.341 -11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.405 -0.508 -13.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.950 -2.813 -13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.471 -2.701 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.160 -3.797 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.852 -2.209 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.868 -1.290 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.085 -2.680 -12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.581 -2.763 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.486 -4.059 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.275 -2.713 -9.219 1.00 0.00 H new ATOM 770 N ARG A 49 -6.634 2.012 -13.441 1.00 0.00 N ATOM 771 CA ARG A 49 -6.953 3.243 -14.158 1.00 0.00 C ATOM 772 C ARG A 49 -5.840 3.592 -15.141 1.00 0.00 C ATOM 773 O ARG A 49 -6.099 3.984 -16.280 1.00 0.00 O ATOM 774 CB ARG A 49 -7.132 4.403 -13.177 1.00 0.00 C ATOM 775 CG ARG A 49 -8.529 4.337 -12.553 1.00 0.00 C ATOM 776 CD ARG A 49 -9.579 4.727 -13.597 1.00 0.00 C ATOM 777 NE ARG A 49 -9.232 5.996 -14.232 1.00 0.00 N ATOM 778 CZ ARG A 49 -9.839 7.126 -13.883 1.00 0.00 C ATOM 779 NH1 ARG A 49 -11.137 7.154 -13.752 1.00 0.00 N ATOM 780 NH2 ARG A 49 -9.138 8.206 -13.669 1.00 0.00 N ATOM 0 H ARG A 49 -6.446 2.133 -12.446 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.883 3.082 -14.704 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.372 4.354 -12.397 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.998 5.353 -13.694 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.726 3.331 -12.184 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.587 5.008 -11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.655 3.945 -14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.557 4.808 -13.123 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.512 6.015 -14.955 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.685 6.309 -13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.604 8.020 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.123 8.184 -13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.605 9.072 -13.401 1.00 0.00 H new ATOM 794 N ALA A 50 -4.599 3.447 -14.689 1.00 0.00 N ATOM 795 CA ALA A 50 -3.446 3.751 -15.535 1.00 0.00 C ATOM 796 C ALA A 50 -3.444 2.871 -16.784 1.00 0.00 C ATOM 797 O ALA A 50 -2.951 3.270 -17.838 1.00 0.00 O ATOM 798 CB ALA A 50 -2.144 3.522 -14.766 1.00 0.00 C ATOM 0 H ALA A 50 -4.365 3.124 -13.750 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.518 4.798 -15.831 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.296 3.753 -15.410 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.121 4.169 -13.889 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.087 2.480 -14.450 1.00 0.00 H new ATOM 804 N GLY A 51 -4.000 1.669 -16.653 1.00 0.00 N ATOM 805 CA GLY A 51 -4.056 0.741 -17.777 1.00 0.00 C ATOM 806 C GLY A 51 -2.824 -0.157 -17.791 1.00 0.00 C ATOM 807 O GLY A 51 -2.239 -0.420 -18.843 1.00 0.00 O ATOM 0 H GLY A 51 -4.414 1.318 -15.789 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.957 0.131 -17.708 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.118 1.297 -18.712 1.00 0.00 H new ATOM 811 N PHE A 52 -2.436 -0.620 -16.607 1.00 0.00 N ATOM 812 CA PHE A 52 -1.269 -1.488 -16.483 1.00 0.00 C ATOM 813 C PHE A 52 -1.701 -2.920 -16.184 1.00 0.00 C ATOM 814 O PHE A 52 -1.150 -3.877 -16.727 1.00 0.00 O ATOM 815 CB PHE A 52 -0.359 -0.995 -15.355 1.00 0.00 C ATOM 816 CG PHE A 52 0.508 0.133 -15.864 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.297 -0.046 -17.007 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.523 1.360 -15.189 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.100 1.001 -17.475 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.326 2.407 -15.657 1.00 0.00 C ATOM 821 CZ PHE A 52 2.115 2.228 -16.800 1.00 0.00 C ATOM 0 H PHE A 52 -2.907 -0.412 -15.727 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.725 -1.463 -17.427 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.959 -0.654 -14.512 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.265 -1.812 -14.993 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.286 -0.992 -17.528 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.085 1.499 -14.307 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.708 0.862 -18.357 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.337 3.353 -15.136 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.735 3.036 -17.161 1.00 0.00 H new ATOM 831 N ILE A 53 -2.694 -3.054 -15.310 1.00 0.00 N ATOM 832 CA ILE A 53 -3.197 -4.374 -14.942 1.00 0.00 C ATOM 833 C ILE A 53 -4.708 -4.445 -15.178 1.00 0.00 C ATOM 834 O ILE A 53 -5.409 -3.437 -15.091 1.00 0.00 O ATOM 835 CB ILE A 53 -2.869 -4.671 -13.470 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.270 -6.108 -13.138 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.617 -3.701 -12.548 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.625 -6.527 -11.813 1.00 0.00 C ATOM 0 H ILE A 53 -3.162 -2.275 -14.848 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.712 -5.125 -15.565 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.798 -4.544 -13.315 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.355 -6.187 -13.067 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.953 -6.779 -13.937 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.373 -3.925 -11.509 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.319 -2.678 -12.778 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.691 -3.809 -12.700 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.911 -7.552 -11.577 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.540 -6.464 -11.901 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.964 -5.863 -11.018 1.00 0.00 H new ATOM 850 N ASP A 54 -5.201 -5.643 -15.488 1.00 0.00 N ATOM 851 CA ASP A 54 -6.631 -5.817 -15.746 1.00 0.00 C ATOM 852 C ASP A 54 -7.380 -6.215 -14.475 1.00 0.00 C ATOM 853 O ASP A 54 -6.815 -6.809 -13.557 1.00 0.00 O ATOM 854 CB ASP A 54 -6.865 -6.887 -16.819 1.00 0.00 C ATOM 855 CG ASP A 54 -6.110 -8.168 -16.465 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.788 -8.350 -15.302 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.869 -8.952 -17.368 1.00 0.00 O ATOM 0 H ASP A 54 -4.644 -6.494 -15.566 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.013 -4.859 -16.098 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.931 -7.097 -16.906 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.533 -6.517 -17.789 1.00 0.00 H new ATOM 862 N ALA A 55 -8.667 -5.870 -14.444 1.00 0.00 N ATOM 863 CA ALA A 55 -9.525 -6.176 -13.297 1.00 0.00 C ATOM 864 C ALA A 55 -9.512 -7.667 -12.945 1.00 0.00 C ATOM 865 O ALA A 55 -9.875 -8.049 -11.833 1.00 0.00 O ATOM 866 CB ALA A 55 -10.965 -5.755 -13.591 1.00 0.00 C ATOM 0 H ALA A 55 -9.140 -5.377 -15.201 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.129 -5.619 -12.448 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.594 -5.987 -12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.998 -4.683 -13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.331 -6.294 -14.465 1.00 0.00 H new ATOM 872 N SER A 56 -9.112 -8.510 -13.896 1.00 0.00 N ATOM 873 CA SER A 56 -9.089 -9.953 -13.651 1.00 0.00 C ATOM 874 C SER A 56 -7.759 -10.389 -13.034 1.00 0.00 C ATOM 875 O SER A 56 -7.679 -11.433 -12.388 1.00 0.00 O ATOM 876 CB SER A 56 -9.302 -10.718 -14.957 1.00 0.00 C ATOM 877 OG SER A 56 -10.462 -10.219 -15.610 1.00 0.00 O ATOM 0 H SER A 56 -8.805 -8.227 -14.827 1.00 0.00 H new ATOM 0 HA SER A 56 -9.895 -10.179 -12.953 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.431 -10.607 -15.603 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.415 -11.783 -14.754 1.00 0.00 H new ATOM 0 HG SER A 56 -10.600 -10.706 -16.449 1.00 0.00 H new ATOM 883 N GLY A 57 -6.719 -9.581 -13.226 1.00 0.00 N ATOM 884 CA GLY A 57 -5.412 -9.901 -12.670 1.00 0.00 C ATOM 885 C GLY A 57 -4.461 -10.410 -13.749 1.00 0.00 C ATOM 886 O GLY A 57 -4.428 -11.600 -14.061 1.00 0.00 O ATOM 0 H GLY A 57 -6.757 -8.710 -13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.988 -9.015 -12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.520 -10.656 -11.892 1.00 0.00 H new ATOM 890 N GLU A 58 -3.683 -9.488 -14.304 1.00 0.00 N ATOM 891 CA GLU A 58 -2.718 -9.833 -15.345 1.00 0.00 C ATOM 892 C GLU A 58 -1.644 -8.753 -15.438 1.00 0.00 C ATOM 893 O GLU A 58 -1.875 -7.673 -15.982 1.00 0.00 O ATOM 894 CB GLU A 58 -3.411 -9.965 -16.702 1.00 0.00 C ATOM 895 CG GLU A 58 -2.549 -10.818 -17.635 1.00 0.00 C ATOM 896 CD GLU A 58 -2.966 -12.279 -17.518 1.00 0.00 C ATOM 897 OE1 GLU A 58 -2.562 -12.915 -16.556 1.00 0.00 O ATOM 898 OE2 GLU A 58 -3.684 -12.742 -18.389 1.00 0.00 O ATOM 0 H GLU A 58 -3.700 -8.499 -14.053 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.262 -10.788 -15.083 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.393 -10.422 -16.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.571 -8.979 -17.138 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.662 -10.478 -18.664 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.496 -10.708 -17.377 1.00 0.00 H new ATOM 905 N PHE A 59 -0.470 -9.053 -14.891 1.00 0.00 N ATOM 906 CA PHE A 59 0.634 -8.095 -14.908 1.00 0.00 C ATOM 907 C PHE A 59 1.123 -7.853 -16.333 1.00 0.00 C ATOM 908 O PHE A 59 1.202 -8.772 -17.148 1.00 0.00 O ATOM 909 CB PHE A 59 1.807 -8.598 -14.057 1.00 0.00 C ATOM 910 CG PHE A 59 2.151 -10.020 -14.438 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.896 -10.275 -15.595 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.723 -11.083 -13.632 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.215 -11.593 -15.947 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.041 -12.400 -13.984 1.00 0.00 C ATOM 915 CZ PHE A 59 2.786 -12.655 -15.142 1.00 0.00 C ATOM 0 H PHE A 59 -0.258 -9.941 -14.435 1.00 0.00 H new ATOM 0 HA PHE A 59 0.260 -7.160 -14.491 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.674 -7.954 -14.202 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.547 -8.549 -13.000 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.225 -9.455 -16.217 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.148 -10.886 -12.739 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.792 -11.790 -16.839 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.712 -13.220 -13.362 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.030 -13.671 -15.414 1.00 0.00 H new ATOM 925 N GLN A 60 1.456 -6.596 -16.617 1.00 0.00 N ATOM 926 CA GLN A 60 1.946 -6.219 -17.941 1.00 0.00 C ATOM 927 C GLN A 60 3.164 -5.307 -17.804 1.00 0.00 C ATOM 928 O GLN A 60 3.077 -4.093 -17.985 1.00 0.00 O ATOM 929 CB GLN A 60 0.855 -5.490 -18.729 1.00 0.00 C ATOM 930 CG GLN A 60 -0.205 -6.493 -19.186 1.00 0.00 C ATOM 931 CD GLN A 60 0.406 -7.460 -20.194 1.00 0.00 C ATOM 932 OE1 GLN A 60 1.368 -7.120 -20.884 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.099 -8.657 -20.321 1.00 0.00 N ATOM 0 H GLN A 60 1.396 -5.825 -15.952 1.00 0.00 H new ATOM 0 HA GLN A 60 2.225 -7.126 -18.476 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.397 -4.719 -18.108 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.290 -4.987 -19.592 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.593 -7.043 -18.329 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.047 -5.967 -19.636 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.896 -8.938 -19.749 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.303 -9.312 -20.992 1.00 0.00 H new ATOM 942 N LEU A 61 4.301 -5.910 -17.467 1.00 0.00 N ATOM 943 CA LEU A 61 5.536 -5.149 -17.289 1.00 0.00 C ATOM 944 C LEU A 61 6.060 -4.629 -18.623 1.00 0.00 C ATOM 945 O LEU A 61 6.734 -3.600 -18.677 1.00 0.00 O ATOM 946 CB LEU A 61 6.609 -6.020 -16.635 1.00 0.00 C ATOM 947 CG LEU A 61 6.116 -6.947 -15.520 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.313 -7.618 -14.846 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.339 -6.130 -14.482 1.00 0.00 C ATOM 0 H LEU A 61 4.394 -6.914 -17.313 1.00 0.00 H new ATOM 0 HA LEU A 61 5.309 -4.300 -16.644 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.079 -6.628 -17.408 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.382 -5.369 -16.227 1.00 0.00 H new ATOM 0 HG LEU A 61 5.464 -7.710 -15.945 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.961 -8.278 -14.053 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.866 -8.200 -15.583 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.966 -6.856 -14.421 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.988 -6.790 -13.688 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.991 -5.367 -14.058 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.484 -5.652 -14.961 1.00 0.00 H new ATOM 961 N ASP A 62 5.748 -5.344 -19.702 1.00 0.00 N ATOM 962 CA ASP A 62 6.201 -4.930 -21.030 1.00 0.00 C ATOM 963 C ASP A 62 5.685 -3.532 -21.361 1.00 0.00 C ATOM 964 O ASP A 62 6.336 -2.767 -22.075 1.00 0.00 O ATOM 965 CB ASP A 62 5.710 -5.911 -22.097 1.00 0.00 C ATOM 966 CG ASP A 62 6.586 -5.792 -23.339 1.00 0.00 C ATOM 967 OD1 ASP A 62 6.418 -4.829 -24.069 1.00 0.00 O ATOM 968 OD2 ASP A 62 7.413 -6.665 -23.541 1.00 0.00 O ATOM 0 H ASP A 62 5.193 -6.199 -19.686 1.00 0.00 H new ATOM 0 HA ASP A 62 7.291 -4.921 -21.023 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.743 -6.930 -21.712 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.671 -5.700 -22.350 1.00 0.00 H new ATOM 973 N HIS A 63 4.512 -3.205 -20.826 1.00 0.00 N ATOM 974 CA HIS A 63 3.919 -1.892 -21.062 1.00 0.00 C ATOM 975 C HIS A 63 4.416 -0.898 -20.017 1.00 0.00 C ATOM 976 O HIS A 63 4.578 0.291 -20.297 1.00 0.00 O ATOM 977 CB HIS A 63 2.393 -1.972 -20.989 1.00 0.00 C ATOM 978 CG HIS A 63 1.842 -2.304 -22.349 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.696 -3.610 -22.789 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.398 -1.510 -23.377 1.00 0.00 C ATOM 981 CE1 HIS A 63 1.183 -3.564 -24.032 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.982 -2.308 -24.439 1.00 0.00 N ATOM 0 H HIS A 63 3.958 -3.823 -20.233 1.00 0.00 H new ATOM 0 HA HIS A 63 4.214 -1.558 -22.057 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.092 -2.732 -20.268 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.985 -1.023 -20.641 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.375 -0.430 -23.364 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.961 -4.437 -24.628 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.605 -2.000 -25.335 1.00 0.00 H new ATOM 990 N ILE A 64 4.660 -1.399 -18.808 1.00 0.00 N ATOM 991 CA ILE A 64 5.141 -0.550 -17.722 1.00 0.00 C ATOM 992 C ILE A 64 6.570 -0.086 -17.998 1.00 0.00 C ATOM 993 O ILE A 64 6.862 1.110 -17.989 1.00 0.00 O ATOM 994 CB ILE A 64 5.112 -1.311 -16.389 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.690 -1.811 -16.117 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.545 -0.385 -15.248 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.732 -3.047 -15.208 1.00 0.00 C ATOM 0 H ILE A 64 4.534 -2.380 -18.557 1.00 0.00 H new ATOM 0 HA ILE A 64 4.483 0.317 -17.659 1.00 0.00 H new ATOM 0 HB ILE A 64 5.797 -2.157 -16.448 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.103 -1.023 -15.646 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.197 -2.058 -17.057 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.522 -0.933 -14.306 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.557 -0.027 -15.434 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.864 0.465 -15.191 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.716 -3.395 -15.020 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.302 -3.838 -15.695 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.207 -2.787 -14.262 1.00 0.00 H new ATOM 1009 N LYS A 65 7.463 -1.049 -18.227 1.00 0.00 N ATOM 1010 CA LYS A 65 8.868 -0.730 -18.485 1.00 0.00 C ATOM 1011 C LYS A 65 9.008 0.279 -19.630 1.00 0.00 C ATOM 1012 O LYS A 65 9.737 1.265 -19.516 1.00 0.00 O ATOM 1013 CB LYS A 65 9.665 -2.007 -18.803 1.00 0.00 C ATOM 1014 CG LYS A 65 9.161 -2.655 -20.099 1.00 0.00 C ATOM 1015 CD LYS A 65 9.560 -4.138 -20.134 1.00 0.00 C ATOM 1016 CE LYS A 65 11.082 -4.281 -20.032 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.560 -5.514 -20.718 1.00 0.00 N ATOM 0 H LYS A 65 7.243 -2.045 -18.239 1.00 0.00 H new ATOM 0 HA LYS A 65 9.275 -0.277 -17.581 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.724 -1.766 -18.899 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.573 -2.713 -17.978 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.077 -2.560 -20.165 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.580 -2.137 -20.961 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.082 -4.670 -19.311 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.206 -4.595 -21.058 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.561 -3.408 -20.474 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.377 -4.309 -18.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.594 -5.581 -20.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.121 -6.348 -20.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.299 -5.475 -21.724 1.00 0.00 H new ATOM 1031 N THR A 66 8.293 0.033 -20.723 1.00 0.00 N ATOM 1032 CA THR A 66 8.335 0.937 -21.867 1.00 0.00 C ATOM 1033 C THR A 66 7.809 2.314 -21.475 1.00 0.00 C ATOM 1034 O THR A 66 8.318 3.343 -21.918 1.00 0.00 O ATOM 1035 CB THR A 66 7.488 0.387 -23.016 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.847 -0.966 -23.262 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.731 1.218 -24.277 1.00 0.00 C ATOM 0 H THR A 66 7.683 -0.776 -20.841 1.00 0.00 H new ATOM 0 HA THR A 66 9.372 1.023 -22.192 1.00 0.00 H new ATOM 0 HB THR A 66 6.433 0.441 -22.747 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.132 -1.557 -22.945 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.127 0.824 -25.094 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.454 2.255 -24.088 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.785 1.167 -24.549 1.00 0.00 H new ATOM 1045 N LYS A 67 6.767 2.314 -20.645 1.00 0.00 N ATOM 1046 CA LYS A 67 6.149 3.561 -20.198 1.00 0.00 C ATOM 1047 C LYS A 67 7.112 4.381 -19.343 1.00 0.00 C ATOM 1048 O LYS A 67 7.160 5.605 -19.450 1.00 0.00 O ATOM 1049 CB LYS A 67 4.890 3.266 -19.380 1.00 0.00 C ATOM 1050 CG LYS A 67 3.713 3.011 -20.324 1.00 0.00 C ATOM 1051 CD LYS A 67 2.943 4.315 -20.546 1.00 0.00 C ATOM 1052 CE LYS A 67 1.534 3.996 -21.048 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.899 5.188 -21.681 1.00 0.00 N ATOM 0 H LYS A 67 6.335 1.469 -20.270 1.00 0.00 H new ATOM 0 HA LYS A 67 5.889 4.135 -21.088 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.053 2.397 -18.743 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.666 4.106 -18.722 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.075 2.623 -21.276 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.052 2.254 -19.902 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.890 4.881 -19.616 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.466 4.940 -21.270 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.579 3.180 -21.769 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.919 3.653 -20.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.055 4.939 -22.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.835 5.958 -20.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.474 5.500 -22.489 1.00 0.00 H new ATOM 1067 N PHE A 68 7.870 3.702 -18.486 1.00 0.00 N ATOM 1068 CA PHE A 68 8.816 4.395 -17.614 1.00 0.00 C ATOM 1069 C PHE A 68 9.954 5.002 -18.432 1.00 0.00 C ATOM 1070 O PHE A 68 10.452 6.084 -18.119 1.00 0.00 O ATOM 1071 CB PHE A 68 9.397 3.417 -16.578 1.00 0.00 C ATOM 1072 CG PHE A 68 8.993 3.840 -15.182 1.00 0.00 C ATOM 1073 CD1 PHE A 68 9.436 5.063 -14.665 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.176 3.006 -14.408 1.00 0.00 C ATOM 1075 CE1 PHE A 68 9.063 5.452 -13.372 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.803 3.396 -13.116 1.00 0.00 C ATOM 1077 CZ PHE A 68 8.247 4.619 -12.599 1.00 0.00 C ATOM 0 H PHE A 68 7.850 2.688 -18.376 1.00 0.00 H new ATOM 0 HA PHE A 68 8.283 5.194 -17.099 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.039 2.407 -16.779 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.484 3.392 -16.659 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.065 5.706 -15.263 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.834 2.063 -14.808 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.405 6.395 -12.972 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.173 2.754 -12.519 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.959 4.920 -11.602 1.00 0.00 H new ATOM 1087 N LYS A 69 10.366 4.289 -19.475 1.00 0.00 N ATOM 1088 CA LYS A 69 11.457 4.761 -20.325 1.00 0.00 C ATOM 1089 C LYS A 69 10.996 5.847 -21.304 1.00 0.00 C ATOM 1090 O LYS A 69 11.800 6.363 -22.081 1.00 0.00 O ATOM 1091 CB LYS A 69 12.046 3.600 -21.128 1.00 0.00 C ATOM 1092 CG LYS A 69 12.903 2.723 -20.211 1.00 0.00 C ATOM 1093 CD LYS A 69 14.102 2.185 -20.996 1.00 0.00 C ATOM 1094 CE LYS A 69 14.698 0.984 -20.260 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.327 0.022 -21.209 1.00 0.00 N ATOM 0 H LYS A 69 9.967 3.392 -19.751 1.00 0.00 H new ATOM 0 HA LYS A 69 12.211 5.186 -19.663 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.245 3.007 -21.570 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.650 3.983 -21.950 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.246 3.301 -19.353 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.309 1.896 -19.821 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.792 1.892 -21.999 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.855 2.965 -21.110 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.442 1.328 -19.542 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.917 0.479 -19.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.737 -0.773 -20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.607 -0.337 -21.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.077 0.503 -21.745 1.00 0.00 H new ATOM 1109 N GLU A 70 9.704 6.201 -21.272 1.00 0.00 N ATOM 1110 CA GLU A 70 9.184 7.235 -22.177 1.00 0.00 C ATOM 1111 C GLU A 70 10.019 8.514 -22.071 1.00 0.00 C ATOM 1112 O GLU A 70 10.319 9.168 -23.069 1.00 0.00 O ATOM 1113 CB GLU A 70 7.719 7.555 -21.843 1.00 0.00 C ATOM 1114 CG GLU A 70 7.611 8.131 -20.424 1.00 0.00 C ATOM 1115 CD GLU A 70 6.156 8.101 -19.967 1.00 0.00 C ATOM 1116 OE1 GLU A 70 5.452 7.180 -20.350 1.00 0.00 O ATOM 1117 OE2 GLU A 70 5.766 9.001 -19.242 1.00 0.00 O ATOM 0 H GLU A 70 9.011 5.796 -20.642 1.00 0.00 H new ATOM 0 HA GLU A 70 9.245 6.852 -23.195 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.322 8.269 -22.564 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.115 6.651 -21.923 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.230 7.552 -19.738 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.987 9.154 -20.407 1.00 0.00 H new ATOM 1124 N ASN A 71 10.389 8.845 -20.840 1.00 0.00 N ATOM 1125 CA ASN A 71 11.193 10.033 -20.576 1.00 0.00 C ATOM 1126 C ASN A 71 11.797 9.942 -19.180 1.00 0.00 C ATOM 1127 O ASN A 71 13.015 9.905 -19.016 1.00 0.00 O ATOM 1128 CB ASN A 71 10.336 11.298 -20.671 1.00 0.00 C ATOM 1129 CG ASN A 71 10.243 11.742 -22.126 1.00 0.00 C ATOM 1130 OD1 ASN A 71 9.156 11.490 -22.804 1.00 0.00 O flip ATOM 1131 ND2 ASN A 71 11.180 12.332 -22.663 1.00 0.00 N flip ATOM 0 H ASN A 71 10.145 8.308 -20.008 1.00 0.00 H new ATOM 0 HA ASN A 71 11.986 10.086 -21.322 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.339 11.105 -20.274 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.772 12.092 -20.065 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.029 12.529 -22.133 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.107 12.624 -23.638 1.00 0.00 H new ATOM 1138 N SER A 72 10.915 9.892 -18.177 1.00 0.00 N ATOM 1139 CA SER A 72 11.334 9.790 -16.772 1.00 0.00 C ATOM 1140 C SER A 72 12.393 10.838 -16.423 1.00 0.00 C ATOM 1141 O SER A 72 12.811 11.629 -17.267 1.00 0.00 O ATOM 1142 CB SER A 72 11.886 8.391 -16.468 1.00 0.00 C ATOM 1143 OG SER A 72 12.641 7.918 -17.574 1.00 0.00 O ATOM 0 H SER A 72 9.904 9.920 -18.310 1.00 0.00 H new ATOM 0 HA SER A 72 10.450 9.972 -16.161 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.512 8.424 -15.576 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.066 7.705 -16.257 1.00 0.00 H new ATOM 0 HG SER A 72 13.225 8.634 -17.902 1.00 0.00 H new ATOM 1149 N GLU A 73 12.816 10.833 -15.162 1.00 0.00 N ATOM 1150 CA GLU A 73 13.825 11.785 -14.702 1.00 0.00 C ATOM 1151 C GLU A 73 15.221 11.285 -15.058 1.00 0.00 C ATOM 1152 O GLU A 73 16.049 12.028 -15.584 1.00 0.00 O ATOM 1153 CB GLU A 73 13.733 11.972 -13.187 1.00 0.00 C ATOM 1154 CG GLU A 73 14.592 13.166 -12.766 1.00 0.00 C ATOM 1155 CD GLU A 73 14.201 13.602 -11.357 1.00 0.00 C ATOM 1156 OE1 GLU A 73 13.023 13.536 -11.044 1.00 0.00 O ATOM 1157 OE2 GLU A 73 15.084 13.997 -10.614 1.00 0.00 O ATOM 0 H GLU A 73 12.481 10.188 -14.446 1.00 0.00 H new ATOM 0 HA GLU A 73 13.641 12.740 -15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.696 12.135 -12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.071 11.070 -12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.648 12.896 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.454 13.991 -13.465 1.00 0.00 H new ATOM 1164 N HIS A 74 15.468 10.012 -14.767 1.00 0.00 N ATOM 1165 CA HIS A 74 16.766 9.408 -15.059 1.00 0.00 C ATOM 1166 C HIS A 74 16.599 7.920 -15.380 1.00 0.00 C ATOM 1167 O HIS A 74 16.820 7.064 -14.523 1.00 0.00 O ATOM 1168 CB HIS A 74 17.728 9.567 -13.874 1.00 0.00 C ATOM 1169 CG HIS A 74 17.045 9.166 -12.592 1.00 0.00 C ATOM 1170 ND1 HIS A 74 15.906 8.440 -12.342 1.00 0.00 N flip ATOM 1171 CD2 HIS A 74 17.542 9.527 -11.349 1.00 0.00 C flip ATOM 1172 CE1 HIS A 74 15.698 8.351 -10.970 1.00 0.00 C flip ATOM 1173 NE2 HIS A 74 16.712 9.023 -10.418 1.00 0.00 N flip ATOM 0 H HIS A 74 14.794 9.382 -14.333 1.00 0.00 H new ATOM 0 HA HIS A 74 17.186 9.923 -15.923 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.614 8.952 -14.030 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.066 10.601 -13.807 1.00 0.00 H new ATOM 0 HD2 HIS A 74 18.433 10.107 -11.162 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.890 7.847 -10.460 1.00 0.00 H new ATOM 0 HE2 HIS A 74 16.841 9.140 -9.413 1.00 0.00 H new ATOM 1181 N PRO A 75 16.206 7.594 -16.619 1.00 0.00 N ATOM 1182 CA PRO A 75 16.011 6.201 -17.038 1.00 0.00 C ATOM 1183 C PRO A 75 17.335 5.510 -17.352 1.00 0.00 C ATOM 1184 O PRO A 75 18.242 6.115 -17.922 1.00 0.00 O ATOM 1185 CB PRO A 75 15.158 6.314 -18.298 1.00 0.00 C ATOM 1186 CG PRO A 75 15.441 7.671 -18.852 1.00 0.00 C ATOM 1187 CD PRO A 75 15.919 8.536 -17.717 1.00 0.00 C ATOM 0 HA PRO A 75 15.547 5.602 -16.254 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.415 5.536 -19.017 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.099 6.198 -18.067 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.197 7.615 -19.635 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.544 8.094 -19.305 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.809 9.100 -17.997 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.160 9.262 -17.427 1.00 0.00 H new ATOM 1195 N GLU A 76 17.441 4.239 -16.973 1.00 0.00 N ATOM 1196 CA GLU A 76 18.670 3.494 -17.227 1.00 0.00 C ATOM 1197 C GLU A 76 18.414 1.989 -17.254 1.00 0.00 C ATOM 1198 O GLU A 76 18.870 1.293 -18.161 1.00 0.00 O ATOM 1199 CB GLU A 76 19.723 3.804 -16.156 1.00 0.00 C ATOM 1200 CG GLU A 76 19.112 3.646 -14.761 1.00 0.00 C ATOM 1201 CD GLU A 76 20.030 4.291 -13.728 1.00 0.00 C ATOM 1202 OE1 GLU A 76 20.370 5.448 -13.906 1.00 0.00 O ATOM 1203 OE2 GLU A 76 20.378 3.617 -12.772 1.00 0.00 O ATOM 0 H GLU A 76 16.707 3.713 -16.499 1.00 0.00 H new ATOM 0 HA GLU A 76 19.039 3.806 -18.204 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.575 3.133 -16.267 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.097 4.819 -16.285 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.127 4.112 -14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 76 18.973 2.590 -14.531 1.00 0.00 H new ATOM 1210 N LYS A 77 17.694 1.485 -16.252 1.00 0.00 N ATOM 1211 CA LYS A 77 17.412 0.051 -16.188 1.00 0.00 C ATOM 1212 C LYS A 77 16.027 -0.220 -15.588 1.00 0.00 C ATOM 1213 O LYS A 77 15.857 -1.118 -14.761 1.00 0.00 O ATOM 1214 CB LYS A 77 18.475 -0.658 -15.339 1.00 0.00 C ATOM 1215 CG LYS A 77 19.633 -1.111 -16.232 1.00 0.00 C ATOM 1216 CD LYS A 77 20.953 -0.973 -15.468 1.00 0.00 C ATOM 1217 CE LYS A 77 22.032 -1.811 -16.156 1.00 0.00 C ATOM 1218 NZ LYS A 77 23.382 -1.197 -15.996 1.00 0.00 N ATOM 0 H LYS A 77 17.302 2.035 -15.488 1.00 0.00 H new ATOM 0 HA LYS A 77 17.432 -0.335 -17.207 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.843 0.014 -14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.036 -1.518 -14.833 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.485 -2.146 -16.540 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.662 -0.510 -17.141 1.00 0.00 H new ATOM 0 HD2 LYS A 77 21.257 0.073 -15.433 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.825 -1.302 -14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.036 -2.817 -15.737 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.798 -1.909 -17.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.091 -1.789 -16.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.383 -0.247 -16.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 23.614 -1.127 -14.985 1.00 0.00 H new ATOM 1232 N VAL A 78 15.031 0.551 -16.020 1.00 0.00 N ATOM 1233 CA VAL A 78 13.670 0.355 -15.516 1.00 0.00 C ATOM 1234 C VAL A 78 13.169 -1.036 -15.912 1.00 0.00 C ATOM 1235 O VAL A 78 12.527 -1.727 -15.123 1.00 0.00 O ATOM 1236 CB VAL A 78 12.716 1.427 -16.076 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.279 1.181 -15.577 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.180 2.811 -15.611 1.00 0.00 C ATOM 0 H VAL A 78 15.134 1.302 -16.703 1.00 0.00 H new ATOM 0 HA VAL A 78 13.689 0.444 -14.430 1.00 0.00 H new ATOM 0 HB VAL A 78 12.727 1.374 -17.165 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.617 1.947 -15.981 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.942 0.199 -15.908 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.260 1.223 -14.488 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.507 3.572 -16.006 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.173 2.850 -14.522 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.191 2.997 -15.974 1.00 0.00 H new ATOM 1248 N ASP A 79 13.470 -1.434 -17.148 1.00 0.00 N ATOM 1249 CA ASP A 79 13.045 -2.743 -17.653 1.00 0.00 C ATOM 1250 C ASP A 79 13.501 -3.869 -16.725 1.00 0.00 C ATOM 1251 O ASP A 79 12.719 -4.753 -16.372 1.00 0.00 O ATOM 1252 CB ASP A 79 13.608 -2.995 -19.057 1.00 0.00 C ATOM 1253 CG ASP A 79 15.101 -2.673 -19.086 1.00 0.00 C ATOM 1254 OD1 ASP A 79 15.439 -1.514 -18.915 1.00 0.00 O ATOM 1255 OD2 ASP A 79 15.881 -3.590 -19.280 1.00 0.00 O ATOM 0 H ASP A 79 14.002 -0.875 -17.815 1.00 0.00 H new ATOM 0 HA ASP A 79 11.956 -2.734 -17.694 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.446 -4.035 -19.342 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.080 -2.379 -19.785 1.00 0.00 H new ATOM 1260 N ASP A 80 14.770 -3.828 -16.332 1.00 0.00 N ATOM 1261 CA ASP A 80 15.311 -4.853 -15.443 1.00 0.00 C ATOM 1262 C ASP A 80 14.738 -4.689 -14.040 1.00 0.00 C ATOM 1263 O ASP A 80 14.452 -5.666 -13.349 1.00 0.00 O ATOM 1264 CB ASP A 80 16.836 -4.755 -15.375 1.00 0.00 C ATOM 1265 CG ASP A 80 17.401 -6.035 -14.767 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.128 -6.287 -13.606 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.097 -6.745 -15.474 1.00 0.00 O ATOM 0 H ASP A 80 15.436 -3.107 -16.610 1.00 0.00 H new ATOM 0 HA ASP A 80 15.031 -5.828 -15.841 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.246 -4.602 -16.373 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.129 -3.894 -14.774 1.00 0.00 H new ATOM 1272 N LEU A 81 14.575 -3.435 -13.629 1.00 0.00 N ATOM 1273 CA LEU A 81 14.035 -3.135 -12.307 1.00 0.00 C ATOM 1274 C LEU A 81 12.593 -3.634 -12.194 1.00 0.00 C ATOM 1275 O LEU A 81 12.223 -4.293 -11.222 1.00 0.00 O ATOM 1276 CB LEU A 81 14.083 -1.621 -12.050 1.00 0.00 C ATOM 1277 CG LEU A 81 14.910 -1.182 -10.837 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.229 -1.659 -9.555 1.00 0.00 C ATOM 1279 CD2 LEU A 81 16.314 -1.787 -10.924 1.00 0.00 C ATOM 0 H LEU A 81 14.808 -2.614 -14.189 1.00 0.00 H new ATOM 0 HA LEU A 81 14.643 -3.645 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.485 -1.132 -12.938 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.063 -1.260 -11.922 1.00 0.00 H new ATOM 0 HG LEU A 81 14.985 -0.095 -10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.818 -1.347 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.231 -1.225 -9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.152 -2.746 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 81 16.900 -1.473 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.241 -2.874 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.802 -1.445 -11.837 1.00 0.00 H new ATOM 1291 N VAL A 82 11.786 -3.305 -13.200 1.00 0.00 N ATOM 1292 CA VAL A 82 10.381 -3.715 -13.217 1.00 0.00 C ATOM 1293 C VAL A 82 10.255 -5.238 -13.151 1.00 0.00 C ATOM 1294 O VAL A 82 9.345 -5.771 -12.515 1.00 0.00 O ATOM 1295 CB VAL A 82 9.700 -3.201 -14.496 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.210 -3.565 -14.487 1.00 0.00 C ATOM 1297 CG2 VAL A 82 9.847 -1.677 -14.578 1.00 0.00 C ATOM 0 H VAL A 82 12.077 -2.759 -14.011 1.00 0.00 H new ATOM 0 HA VAL A 82 9.892 -3.286 -12.342 1.00 0.00 H new ATOM 0 HB VAL A 82 10.176 -3.666 -15.359 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.740 -3.195 -15.398 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.100 -4.648 -14.436 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.730 -3.110 -13.621 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.364 -1.313 -15.485 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.377 -1.219 -13.708 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.905 -1.414 -14.600 1.00 0.00 H new ATOM 1307 N ALA A 83 11.169 -5.932 -13.823 1.00 0.00 N ATOM 1308 CA ALA A 83 11.142 -7.395 -13.844 1.00 0.00 C ATOM 1309 C ALA A 83 11.240 -7.969 -12.431 1.00 0.00 C ATOM 1310 O ALA A 83 10.349 -8.685 -11.973 1.00 0.00 O ATOM 1311 CB ALA A 83 12.302 -7.939 -14.679 1.00 0.00 C ATOM 0 H ALA A 83 11.931 -5.512 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 83 10.193 -7.698 -14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.267 -9.028 -14.684 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.220 -7.568 -15.701 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.247 -7.608 -14.248 1.00 0.00 H new ATOM 1317 N LYS A 84 12.340 -7.658 -11.754 1.00 0.00 N ATOM 1318 CA LYS A 84 12.562 -8.158 -10.397 1.00 0.00 C ATOM 1319 C LYS A 84 11.665 -7.453 -9.374 1.00 0.00 C ATOM 1320 O LYS A 84 11.510 -7.926 -8.249 1.00 0.00 O ATOM 1321 CB LYS A 84 14.023 -7.955 -9.992 1.00 0.00 C ATOM 1322 CG LYS A 84 14.437 -9.047 -9.004 1.00 0.00 C ATOM 1323 CD LYS A 84 15.941 -9.301 -9.125 1.00 0.00 C ATOM 1324 CE LYS A 84 16.706 -8.205 -8.381 1.00 0.00 C ATOM 1325 NZ LYS A 84 17.002 -8.606 -6.976 1.00 0.00 N ATOM 0 H LYS A 84 13.088 -7.067 -12.117 1.00 0.00 H new ATOM 0 HA LYS A 84 12.314 -9.219 -10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.663 -7.986 -10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.152 -6.972 -9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.189 -8.745 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.885 -9.965 -9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.190 -10.278 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.235 -9.316 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.638 -7.991 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.121 -7.285 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.521 -7.842 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.111 -8.787 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.581 -9.470 -6.976 1.00 0.00 H new ATOM 1339 N CYS A 85 11.085 -6.317 -9.759 1.00 0.00 N ATOM 1340 CA CYS A 85 10.224 -5.574 -8.839 1.00 0.00 C ATOM 1341 C CYS A 85 8.776 -6.041 -8.937 1.00 0.00 C ATOM 1342 O CYS A 85 8.156 -6.394 -7.933 1.00 0.00 O ATOM 1343 CB CYS A 85 10.281 -4.077 -9.142 1.00 0.00 C ATOM 1344 SG CYS A 85 11.801 -3.382 -8.445 1.00 0.00 S ATOM 0 H CYS A 85 11.192 -5.897 -10.682 1.00 0.00 H new ATOM 0 HA CYS A 85 10.591 -5.761 -7.830 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.252 -3.911 -10.219 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.411 -3.575 -8.719 1.00 0.00 H new ATOM 1349 N ALA A 86 8.235 -6.026 -10.151 1.00 0.00 N ATOM 1350 CA ALA A 86 6.849 -6.439 -10.358 1.00 0.00 C ATOM 1351 C ALA A 86 6.732 -7.964 -10.402 1.00 0.00 C ATOM 1352 O ALA A 86 6.296 -8.545 -11.399 1.00 0.00 O ATOM 1353 CB ALA A 86 6.305 -5.847 -11.660 1.00 0.00 C ATOM 0 H ALA A 86 8.726 -5.737 -10.997 1.00 0.00 H new ATOM 0 HA ALA A 86 6.261 -6.067 -9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.272 -6.164 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.347 -4.759 -11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.908 -6.196 -12.498 1.00 0.00 H new ATOM 1359 N VAL A 87 7.118 -8.609 -9.305 1.00 0.00 N ATOM 1360 CA VAL A 87 7.040 -10.065 -9.225 1.00 0.00 C ATOM 1361 C VAL A 87 5.583 -10.516 -9.284 1.00 0.00 C ATOM 1362 O VAL A 87 4.729 -10.001 -8.562 1.00 0.00 O ATOM 1363 CB VAL A 87 7.679 -10.578 -7.928 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.165 -10.214 -7.915 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.991 -9.942 -6.715 1.00 0.00 C ATOM 0 H VAL A 87 7.484 -8.154 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 87 7.586 -10.479 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 87 7.563 -11.661 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.621 -10.578 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.660 -10.674 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.275 -9.131 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.452 -10.313 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.099 -8.858 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.932 -10.202 -6.719 1.00 0.00 H new ATOM 1375 N LYS A 88 5.304 -11.480 -10.157 1.00 0.00 N ATOM 1376 CA LYS A 88 3.943 -11.988 -10.302 1.00 0.00 C ATOM 1377 C LYS A 88 3.495 -12.694 -9.025 1.00 0.00 C ATOM 1378 O LYS A 88 3.951 -13.795 -8.713 1.00 0.00 O ATOM 1379 CB LYS A 88 3.852 -12.967 -11.478 1.00 0.00 C ATOM 1380 CG LYS A 88 4.966 -14.019 -11.374 1.00 0.00 C ATOM 1381 CD LYS A 88 4.384 -15.416 -11.605 1.00 0.00 C ATOM 1382 CE LYS A 88 5.142 -16.434 -10.750 1.00 0.00 C ATOM 1383 NZ LYS A 88 4.676 -16.412 -9.335 1.00 0.00 N ATOM 0 H LYS A 88 5.992 -11.920 -10.768 1.00 0.00 H new ATOM 0 HA LYS A 88 3.289 -11.137 -10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.878 -13.456 -11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.939 -12.426 -12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.743 -13.813 -12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.436 -13.969 -10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.325 -15.427 -11.348 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.459 -15.683 -12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.005 -17.433 -11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.210 -16.218 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.371 -16.899 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.574 -15.427 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.758 -16.895 -9.264 1.00 0.00 H new ATOM 1397 N LYS A 89 2.595 -12.045 -8.291 1.00 0.00 N ATOM 1398 CA LYS A 89 2.087 -12.615 -7.045 1.00 0.00 C ATOM 1399 C LYS A 89 0.769 -13.345 -7.289 1.00 0.00 C ATOM 1400 O LYS A 89 0.249 -13.362 -8.406 1.00 0.00 O ATOM 1401 CB LYS A 89 1.864 -11.513 -6.006 1.00 0.00 C ATOM 1402 CG LYS A 89 3.187 -10.795 -5.733 1.00 0.00 C ATOM 1403 CD LYS A 89 4.064 -11.665 -4.830 1.00 0.00 C ATOM 1404 CE LYS A 89 5.026 -10.776 -4.036 1.00 0.00 C ATOM 1405 NZ LYS A 89 5.292 -11.337 -2.681 1.00 0.00 N ATOM 0 H LYS A 89 2.205 -11.134 -8.533 1.00 0.00 H new ATOM 0 HA LYS A 89 2.828 -13.322 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.120 -10.803 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.473 -11.942 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.703 -10.591 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.999 -9.833 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.440 -12.243 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.626 -12.380 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.965 -10.676 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.604 -9.775 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.947 -10.712 -2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.399 -11.409 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.717 -12.282 -2.774 1.00 0.00 H new ATOM 1419 N ASP A 90 0.236 -13.951 -6.232 1.00 0.00 N ATOM 1420 CA ASP A 90 -1.024 -14.687 -6.340 1.00 0.00 C ATOM 1421 C ASP A 90 -2.182 -13.735 -6.623 1.00 0.00 C ATOM 1422 O ASP A 90 -3.000 -13.980 -7.509 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.317 -15.466 -5.052 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.162 -14.552 -3.840 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.051 -14.441 -3.346 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.153 -13.975 -3.426 1.00 0.00 O ATOM 0 H ASP A 90 0.650 -13.949 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.923 -15.390 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.328 -15.871 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.637 -16.314 -4.968 1.00 0.00 H new ATOM 1431 N THR A 91 -2.245 -12.644 -5.864 1.00 0.00 N ATOM 1432 CA THR A 91 -3.312 -11.665 -6.052 1.00 0.00 C ATOM 1433 C THR A 91 -2.797 -10.474 -6.865 1.00 0.00 C ATOM 1434 O THR A 91 -1.634 -10.090 -6.741 1.00 0.00 O ATOM 1435 CB THR A 91 -3.833 -11.171 -4.699 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.812 -11.307 -3.720 1.00 0.00 O ATOM 1437 CG2 THR A 91 -5.049 -12.001 -4.284 1.00 0.00 C ATOM 0 H THR A 91 -1.581 -12.417 -5.124 1.00 0.00 H new ATOM 0 HA THR A 91 -4.127 -12.147 -6.592 1.00 0.00 H new ATOM 0 HB THR A 91 -4.121 -10.123 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.682 -12.256 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.419 -11.648 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.833 -11.897 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.763 -13.049 -4.201 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.650 -9.879 -7.709 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.257 -8.731 -8.539 1.00 0.00 C ATOM 1447 C PRO A 92 -3.064 -7.461 -7.715 1.00 0.00 C ATOM 1448 O PRO A 92 -2.061 -6.761 -7.853 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.417 -8.567 -9.515 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.593 -9.168 -8.826 1.00 0.00 C ATOM 1451 CD PRO A 92 -5.060 -10.253 -7.935 1.00 0.00 C ATOM 0 HA PRO A 92 -2.300 -8.900 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.591 -7.516 -9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.212 -9.073 -10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.127 -8.417 -8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.300 -9.573 -9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.613 -10.305 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.141 -11.232 -8.408 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.036 -7.177 -6.855 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.964 -5.990 -6.008 1.00 0.00 C ATOM 1461 C GLN A 93 -2.744 -6.046 -5.084 1.00 0.00 C ATOM 1462 O GLN A 93 -2.303 -5.022 -4.563 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.234 -5.855 -5.159 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.427 -7.112 -4.303 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.467 -8.026 -4.949 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.748 -7.913 -6.142 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.060 -8.934 -4.223 1.00 0.00 N ATOM 0 H GLN A 93 -4.874 -7.744 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.872 -5.124 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.162 -4.976 -4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.100 -5.708 -5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.480 -7.641 -4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.748 -6.833 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.828 -9.028 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.756 -9.549 -4.644 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.200 -7.247 -4.882 1.00 0.00 N ATOM 1477 CA HIS A 94 -1.033 -7.406 -4.018 1.00 0.00 C ATOM 1478 C HIS A 94 0.210 -6.825 -4.687 1.00 0.00 C ATOM 1479 O HIS A 94 0.841 -5.905 -4.167 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.788 -8.887 -3.716 1.00 0.00 C ATOM 1481 CG HIS A 94 0.130 -9.012 -2.531 1.00 0.00 C ATOM 1482 ND1 HIS A 94 1.062 -8.157 -1.995 1.00 0.00 N flip ATOM 1483 CD2 HIS A 94 0.155 -10.144 -1.731 1.00 0.00 C flip ATOM 1484 CE1 HIS A 94 1.656 -8.746 -0.883 1.00 0.00 C flip ATOM 1485 NE2 HIS A 94 1.073 -9.942 -0.769 1.00 0.00 N flip ATOM 0 H HIS A 94 -2.544 -8.112 -5.299 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.229 -6.872 -3.088 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.734 -9.389 -3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.348 -9.378 -4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.453 -11.028 -1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.423 -8.326 -0.249 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.297 -10.620 -0.041 1.00 0.00 H new ATOM 1493 N SER A 95 0.555 -7.379 -5.850 1.00 0.00 N ATOM 1494 CA SER A 95 1.730 -6.927 -6.606 1.00 0.00 C ATOM 1495 C SER A 95 1.772 -5.402 -6.738 1.00 0.00 C ATOM 1496 O SER A 95 2.842 -4.808 -6.868 1.00 0.00 O ATOM 1497 CB SER A 95 1.726 -7.539 -8.007 1.00 0.00 C ATOM 1498 OG SER A 95 0.469 -7.293 -8.622 1.00 0.00 O ATOM 0 H SER A 95 0.040 -8.141 -6.291 1.00 0.00 H new ATOM 0 HA SER A 95 2.610 -7.254 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.528 -7.109 -8.607 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.912 -8.611 -7.949 1.00 0.00 H new ATOM 0 HG SER A 95 -0.148 -6.912 -7.963 1.00 0.00 H new ATOM 1504 N SER A 96 0.597 -4.778 -6.713 1.00 0.00 N ATOM 1505 CA SER A 96 0.509 -3.322 -6.844 1.00 0.00 C ATOM 1506 C SER A 96 1.329 -2.615 -5.763 1.00 0.00 C ATOM 1507 O SER A 96 1.998 -1.616 -6.030 1.00 0.00 O ATOM 1508 CB SER A 96 -0.947 -2.861 -6.747 1.00 0.00 C ATOM 1509 OG SER A 96 -1.360 -2.875 -5.386 1.00 0.00 O ATOM 0 H SER A 96 -0.301 -5.250 -6.604 1.00 0.00 H new ATOM 0 HA SER A 96 0.913 -3.059 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.050 -1.857 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.587 -3.515 -7.339 1.00 0.00 H new ATOM 0 HG SER A 96 -2.103 -3.505 -5.276 1.00 0.00 H new ATOM 1515 N ALA A 97 1.267 -3.138 -4.539 1.00 0.00 N ATOM 1516 CA ALA A 97 2.005 -2.540 -3.424 1.00 0.00 C ATOM 1517 C ALA A 97 3.500 -2.487 -3.728 1.00 0.00 C ATOM 1518 O ALA A 97 4.078 -1.409 -3.875 1.00 0.00 O ATOM 1519 CB ALA A 97 1.781 -3.341 -2.139 1.00 0.00 C ATOM 0 H ALA A 97 0.721 -3.964 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 97 1.632 -1.525 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.337 -2.881 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.719 -3.349 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.127 -4.364 -2.283 1.00 0.00 H new ATOM 1525 N ASP A 98 4.123 -3.660 -3.828 1.00 0.00 N ATOM 1526 CA ASP A 98 5.555 -3.730 -4.124 1.00 0.00 C ATOM 1527 C ASP A 98 5.853 -3.052 -5.460 1.00 0.00 C ATOM 1528 O ASP A 98 6.917 -2.465 -5.655 1.00 0.00 O ATOM 1529 CB ASP A 98 6.019 -5.187 -4.190 1.00 0.00 C ATOM 1530 CG ASP A 98 5.630 -5.903 -2.901 1.00 0.00 C ATOM 1531 OD1 ASP A 98 6.234 -5.614 -1.881 1.00 0.00 O ATOM 1532 OD2 ASP A 98 4.736 -6.732 -2.953 1.00 0.00 O ATOM 0 H ASP A 98 3.667 -4.565 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 98 6.091 -3.216 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.566 -5.686 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.099 -5.230 -4.331 1.00 0.00 H new ATOM 1537 N PHE A 99 4.889 -3.137 -6.373 1.00 0.00 N ATOM 1538 CA PHE A 99 5.034 -2.527 -7.690 1.00 0.00 C ATOM 1539 C PHE A 99 5.169 -1.007 -7.556 1.00 0.00 C ATOM 1540 O PHE A 99 5.841 -0.359 -8.357 1.00 0.00 O ATOM 1541 CB PHE A 99 3.807 -2.875 -8.552 1.00 0.00 C ATOM 1542 CG PHE A 99 3.866 -2.173 -9.893 1.00 0.00 C ATOM 1543 CD1 PHE A 99 5.032 -2.223 -10.665 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.749 -1.470 -10.357 1.00 0.00 C ATOM 1545 CE1 PHE A 99 5.080 -1.569 -11.901 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.795 -0.817 -11.592 1.00 0.00 C ATOM 1547 CZ PHE A 99 3.961 -0.865 -12.364 1.00 0.00 C ATOM 0 H PHE A 99 4.003 -3.620 -6.225 1.00 0.00 H new ATOM 0 HA PHE A 99 5.933 -2.914 -8.169 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.760 -3.953 -8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.896 -2.587 -8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.894 -2.766 -10.307 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.850 -1.432 -9.760 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.979 -1.607 -12.498 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.932 -0.276 -11.950 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.998 -0.359 -13.317 1.00 0.00 H new ATOM 1557 N PHE A 100 4.519 -0.451 -6.539 1.00 0.00 N ATOM 1558 CA PHE A 100 4.569 0.992 -6.315 1.00 0.00 C ATOM 1559 C PHE A 100 5.489 1.324 -5.143 1.00 0.00 C ATOM 1560 O PHE A 100 5.233 2.253 -4.376 1.00 0.00 O ATOM 1561 CB PHE A 100 3.167 1.532 -6.021 1.00 0.00 C ATOM 1562 CG PHE A 100 3.161 3.033 -6.180 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.317 3.602 -7.450 1.00 0.00 C ATOM 1564 CD2 PHE A 100 3.001 3.856 -5.059 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.311 4.995 -7.598 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.995 5.249 -5.208 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.150 5.817 -6.477 1.00 0.00 C ATOM 0 H PHE A 100 3.957 -0.969 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 100 4.958 1.460 -7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.443 1.081 -6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.867 1.262 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.442 2.967 -8.315 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.882 3.417 -4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.431 5.435 -8.577 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.871 5.884 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.145 6.891 -6.592 1.00 0.00 H new ATOM 1577 N LYS A 101 6.567 0.555 -5.014 1.00 0.00 N ATOM 1578 CA LYS A 101 7.525 0.775 -3.932 1.00 0.00 C ATOM 1579 C LYS A 101 8.917 0.315 -4.350 1.00 0.00 C ATOM 1580 O LYS A 101 9.905 1.024 -4.163 1.00 0.00 O ATOM 1581 CB LYS A 101 7.107 0.002 -2.680 1.00 0.00 C ATOM 1582 CG LYS A 101 5.836 0.619 -2.094 1.00 0.00 C ATOM 1583 CD LYS A 101 5.807 0.384 -0.583 1.00 0.00 C ATOM 1584 CE LYS A 101 4.369 0.501 -0.077 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.648 -0.801 -0.181 1.00 0.00 N ATOM 0 H LYS A 101 6.799 -0.218 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 101 7.542 1.843 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.933 -1.045 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.908 0.026 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.805 1.687 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.956 0.176 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.207 -0.603 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.442 1.112 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.373 0.835 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.839 1.259 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.676 -0.688 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.624 -1.106 -1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.141 -1.517 0.389 1.00 0.00 H new ATOM 1599 N CYS A 102 8.980 -0.888 -4.920 1.00 0.00 N ATOM 1600 CA CYS A 102 10.252 -1.459 -5.370 1.00 0.00 C ATOM 1601 C CYS A 102 10.985 -0.498 -6.308 1.00 0.00 C ATOM 1602 O CYS A 102 12.163 -0.195 -6.115 1.00 0.00 O ATOM 1603 CB CYS A 102 10.002 -2.780 -6.101 1.00 0.00 C ATOM 1604 SG CYS A 102 11.578 -3.599 -6.451 1.00 0.00 S ATOM 0 H CYS A 102 8.169 -1.485 -5.081 1.00 0.00 H new ATOM 0 HA CYS A 102 10.872 -1.633 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.372 -3.429 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.464 -2.595 -7.031 1.00 0.00 H new ATOM 1609 N VAL A 103 10.273 -0.026 -7.328 1.00 0.00 N ATOM 1610 CA VAL A 103 10.861 0.898 -8.297 1.00 0.00 C ATOM 1611 C VAL A 103 11.374 2.161 -7.603 1.00 0.00 C ATOM 1612 O VAL A 103 12.310 2.806 -8.074 1.00 0.00 O ATOM 1613 CB VAL A 103 9.830 1.286 -9.358 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.418 0.041 -10.146 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.595 1.885 -8.678 1.00 0.00 C ATOM 0 H VAL A 103 9.297 -0.264 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 103 11.699 0.392 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 103 10.266 2.021 -10.034 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.683 0.316 -10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.294 -0.389 -10.631 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.983 -0.692 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.861 2.161 -9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.160 1.150 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.885 2.771 -8.113 1.00 0.00 H new ATOM 1625 N HIS A 104 10.751 2.506 -6.476 1.00 0.00 N ATOM 1626 CA HIS A 104 11.157 3.692 -5.726 1.00 0.00 C ATOM 1627 C HIS A 104 12.322 3.363 -4.798 1.00 0.00 C ATOM 1628 O HIS A 104 13.361 4.025 -4.821 1.00 0.00 O ATOM 1629 CB HIS A 104 9.990 4.223 -4.892 1.00 0.00 C ATOM 1630 CG HIS A 104 8.814 4.493 -5.790 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.967 4.930 -7.096 1.00 0.00 N ATOM 1632 CD2 HIS A 104 7.460 4.392 -5.584 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.736 5.075 -7.621 1.00 0.00 C ATOM 1634 NE2 HIS A 104 6.782 4.760 -6.742 1.00 0.00 N ATOM 0 H HIS A 104 9.973 1.988 -6.067 1.00 0.00 H new ATOM 0 HA HIS A 104 11.467 4.453 -6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.717 3.498 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.284 5.137 -4.376 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.993 4.075 -4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.544 5.406 -8.631 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.773 4.784 -6.888 1.00 0.00 H new ATOM 1642 N ASP A 105 12.139 2.331 -3.979 1.00 0.00 N ATOM 1643 CA ASP A 105 13.181 1.917 -3.042 1.00 0.00 C ATOM 1644 C ASP A 105 14.304 1.191 -3.782 1.00 0.00 C ATOM 1645 O ASP A 105 14.497 -0.016 -3.631 1.00 0.00 O ATOM 1646 CB ASP A 105 12.598 0.991 -1.970 1.00 0.00 C ATOM 1647 CG ASP A 105 13.448 1.074 -0.708 1.00 0.00 C ATOM 1648 OD1 ASP A 105 14.613 0.720 -0.777 1.00 0.00 O ATOM 1649 OD2 ASP A 105 12.921 1.491 0.312 1.00 0.00 O ATOM 0 H ASP A 105 11.288 1.770 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 105 13.584 2.810 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.570 1.277 -1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.572 -0.035 -2.336 1.00 0.00 H new ATOM 1654 N ASN A 106 15.043 1.946 -4.591 1.00 0.00 N ATOM 1655 CA ASN A 106 16.147 1.372 -5.357 1.00 0.00 C ATOM 1656 C ASN A 106 17.452 1.480 -4.575 1.00 0.00 C ATOM 1657 O ASN A 106 17.662 2.429 -3.819 1.00 0.00 O ATOM 1658 CB ASN A 106 16.304 2.098 -6.694 1.00 0.00 C ATOM 1659 CG ASN A 106 17.018 1.187 -7.688 1.00 0.00 C ATOM 1660 OD1 ASN A 106 17.774 0.300 -7.295 1.00 0.00 O ATOM 1661 ND2 ASN A 106 16.821 1.357 -8.966 1.00 0.00 N ATOM 0 H ASN A 106 14.900 2.946 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 106 15.920 0.322 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.326 2.382 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.871 3.018 -6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.294 0.754 -9.640 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.194 2.093 -9.292 1.00 0.00 H new ATOM 1668 N ARG A 107 18.326 0.496 -4.767 1.00 0.00 N ATOM 1669 CA ARG A 107 19.612 0.487 -4.076 1.00 0.00 C ATOM 1670 C ARG A 107 20.739 0.840 -5.041 1.00 0.00 C ATOM 1671 O ARG A 107 20.771 0.370 -6.178 1.00 0.00 O ATOM 1672 CB ARG A 107 19.887 -0.894 -3.475 1.00 0.00 C ATOM 1673 CG ARG A 107 18.939 -1.137 -2.298 1.00 0.00 C ATOM 1674 CD ARG A 107 18.924 -2.627 -1.956 1.00 0.00 C ATOM 1675 NE ARG A 107 18.193 -2.862 -0.714 1.00 0.00 N ATOM 1676 CZ ARG A 107 17.708 -4.066 -0.422 1.00 0.00 C ATOM 1677 NH1 ARG A 107 18.478 -5.117 -0.500 1.00 0.00 N ATOM 1678 NH2 ARG A 107 16.461 -4.196 -0.058 1.00 0.00 N ATOM 0 H ARG A 107 18.170 -0.298 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 107 19.570 1.229 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 107 19.749 -1.666 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 107 20.923 -0.957 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 107 19.260 -0.557 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.934 -0.801 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.461 -3.187 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.946 -2.993 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 107 18.052 -2.092 -0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 107 19.452 -5.016 -0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.106 -6.040 -0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 107 15.859 -3.375 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 107 16.089 -5.119 0.166 1.00 0.00 H new ATOM 1692 N SER A 108 21.662 1.675 -4.574 1.00 0.00 N ATOM 1693 CA SER A 108 22.791 2.088 -5.402 1.00 0.00 C ATOM 1694 C SER A 108 23.964 2.519 -4.528 1.00 0.00 C ATOM 1695 O SER A 108 23.781 3.418 -3.725 1.00 0.00 O ATOM 1696 CB SER A 108 22.392 3.253 -6.308 1.00 0.00 C ATOM 1697 OG SER A 108 21.354 2.833 -7.184 1.00 0.00 O ATOM 1698 OXT SER A 108 25.030 1.942 -4.676 1.00 0.00 O ATOM 0 H SER A 108 21.652 2.076 -3.636 1.00 0.00 H new ATOM 0 HA SER A 108 23.088 1.236 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.056 4.098 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 108 23.253 3.593 -6.883 1.00 0.00 H new ATOM 0 HG SER A 108 21.148 1.889 -7.019 1.00 0.00 H new TER 1704 SER A 108