USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ 153:sc= 0.0105 (180deg=0) USER MOD Set 1.2: A 38 SER OG : rot -160:sc= 0.0218 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.8 K(o=-2.1,f=-3.7!) USER MOD Set 2.2: A 20 THR OG1 : rot -97:sc= 0.281 USER MOD Set 2.3: A 23 CYS SG : rot 180:sc= -0.592 USER MOD Single : A 1 MET CE :methyl 180:sc= -3.43 (180deg=-3.43) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 127:sc= 1.16 USER MOD Single : A 22 MET CE :methyl -120:sc= -0.202 (180deg=-3.13!) USER MOD Single : A 24 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.3!) USER MOD Single : A 31 ASN : amide:sc= -4.32 K(o=-4.3,f=-5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 33:sc= 0.07 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.434 F(o=-1.8,f=-0.43) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0.327 (180deg=0.125) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -120:sc= -0.156 USER MOD Single : A 62 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0804 F(o=-0.71,f=-0.08) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -30:sc= -0.0619 USER MOD Single : A 75 HIS : no HD1:sc= -0.34 K(o=-0.34,f=-3.2!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.407 8.222 -6.748 1.00 0.00 N ATOM 2 CA MET A 1 -4.014 6.953 -6.082 1.00 0.00 C ATOM 3 C MET A 1 -4.283 7.012 -4.580 1.00 0.00 C ATOM 4 O MET A 1 -4.141 8.064 -3.956 1.00 0.00 O ATOM 5 CB MET A 1 -2.527 6.705 -6.343 1.00 0.00 C ATOM 6 CG MET A 1 -2.175 5.236 -6.504 1.00 0.00 C ATOM 7 SD MET A 1 -2.417 4.645 -8.190 1.00 0.00 S ATOM 8 CE MET A 1 -1.697 3.009 -8.082 1.00 0.00 C ATOM 0 H1 MET A 1 -4.213 8.154 -7.767 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.422 8.392 -6.599 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.861 9.010 -6.344 1.00 0.00 H new ATOM 0 HA MET A 1 -4.608 6.136 -6.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.230 7.242 -7.244 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.948 7.121 -5.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.136 5.082 -6.215 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.787 4.643 -5.824 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.771 2.514 -9.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.649 3.091 -7.795 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.233 2.424 -7.334 1.00 0.00 H new ATOM 20 N ARG A 2 -4.671 5.877 -4.008 1.00 0.00 N ATOM 21 CA ARG A 2 -4.959 5.800 -2.581 1.00 0.00 C ATOM 22 C ARG A 2 -4.362 4.535 -1.972 1.00 0.00 C ATOM 23 O ARG A 2 -4.401 3.466 -2.579 1.00 0.00 O ATOM 24 CB ARG A 2 -6.471 5.828 -2.343 1.00 0.00 C ATOM 25 CG ARG A 2 -7.151 7.080 -2.876 1.00 0.00 C ATOM 26 CD ARG A 2 -8.448 6.753 -3.600 1.00 0.00 C ATOM 27 NE ARG A 2 -9.615 7.281 -2.899 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.831 7.357 -3.437 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.043 6.940 -4.679 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.839 7.851 -2.730 1.00 0.00 N ATOM 0 H ARG A 2 -4.793 4.998 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.504 6.664 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.920 4.953 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.663 5.749 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.357 7.761 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.476 7.599 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.414 7.165 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.544 5.672 -3.701 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.492 7.611 -1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.272 6.559 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.977 7.001 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.683 8.172 -1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.770 7.909 -3.142 1.00 0.00 H new ATOM 44 N ILE A 3 -3.812 4.665 -0.768 1.00 0.00 N ATOM 45 CA ILE A 3 -3.206 3.534 -0.069 1.00 0.00 C ATOM 46 C ILE A 3 -4.130 2.319 -0.073 1.00 0.00 C ATOM 47 O ILE A 3 -3.678 1.184 -0.226 1.00 0.00 O ATOM 48 CB ILE A 3 -2.860 3.905 1.386 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.131 2.742 2.080 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.115 4.314 2.147 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.045 1.707 2.711 1.00 0.00 C ATOM 0 H ILE A 3 -3.773 5.545 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.290 3.282 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.185 4.761 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.491 2.245 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.478 3.149 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.851 4.572 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.570 5.177 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.823 3.486 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.444 0.926 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.668 2.184 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.681 1.267 1.943 1.00 0.00 H new ATOM 63 N ASP A 4 -5.424 2.565 0.100 1.00 0.00 N ATOM 64 CA ASP A 4 -6.411 1.490 0.121 1.00 0.00 C ATOM 65 C ASP A 4 -6.302 0.603 -1.117 1.00 0.00 C ATOM 66 O ASP A 4 -6.086 -0.601 -1.007 1.00 0.00 O ATOM 67 CB ASP A 4 -7.828 2.066 0.229 1.00 0.00 C ATOM 68 CG ASP A 4 -8.032 3.289 -0.644 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.209 3.121 -1.869 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.015 4.415 -0.103 1.00 0.00 O ATOM 0 H ASP A 4 -5.814 3.499 0.228 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.206 0.874 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.550 1.299 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.031 2.328 1.267 1.00 0.00 H new ATOM 75 N LYS A 5 -6.465 1.198 -2.293 1.00 0.00 N ATOM 76 CA LYS A 5 -6.395 0.451 -3.547 1.00 0.00 C ATOM 77 C LYS A 5 -4.974 0.410 -4.115 1.00 0.00 C ATOM 78 O LYS A 5 -4.729 -0.231 -5.136 1.00 0.00 O ATOM 79 CB LYS A 5 -7.346 1.065 -4.578 1.00 0.00 C ATOM 80 CG LYS A 5 -8.702 0.382 -4.635 1.00 0.00 C ATOM 81 CD LYS A 5 -9.801 1.356 -5.028 1.00 0.00 C ATOM 82 CE LYS A 5 -11.050 0.627 -5.496 1.00 0.00 C ATOM 83 NZ LYS A 5 -12.116 1.572 -5.929 1.00 0.00 N ATOM 0 H LYS A 5 -6.647 2.195 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.695 -0.574 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.489 2.120 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.882 1.016 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.668 -0.438 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.932 -0.054 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.047 1.992 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.442 2.011 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.795 -0.036 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.428 -0.001 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.950 1.035 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.378 2.188 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.765 2.154 -6.716 1.00 0.00 H new ATOM 97 N PHE A 6 -4.045 1.110 -3.470 1.00 0.00 N ATOM 98 CA PHE A 6 -2.664 1.159 -3.940 1.00 0.00 C ATOM 99 C PHE A 6 -1.910 -0.136 -3.642 1.00 0.00 C ATOM 100 O PHE A 6 -1.475 -0.834 -4.557 1.00 0.00 O ATOM 101 CB PHE A 6 -1.935 2.344 -3.303 1.00 0.00 C ATOM 102 CG PHE A 6 -0.489 2.454 -3.703 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.126 2.467 -5.041 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.504 2.543 -2.742 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.201 2.566 -5.411 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.833 2.643 -3.106 1.00 0.00 C ATOM 107 CZ PHE A 6 2.183 2.655 -4.442 1.00 0.00 C ATOM 0 H PHE A 6 -4.223 1.650 -2.623 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.692 1.283 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.449 3.265 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.996 2.256 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.889 2.399 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.236 2.534 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.471 2.574 -6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.598 2.712 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.221 2.734 -4.729 1.00 0.00 H new ATOM 117 N LEU A 7 -1.734 -0.438 -2.360 1.00 0.00 N ATOM 118 CA LEU A 7 -1.003 -1.634 -1.951 1.00 0.00 C ATOM 119 C LEU A 7 -1.900 -2.868 -1.897 1.00 0.00 C ATOM 120 O LEU A 7 -1.408 -3.994 -1.824 1.00 0.00 O ATOM 121 CB LEU A 7 -0.345 -1.404 -0.589 1.00 0.00 C ATOM 122 CG LEU A 7 -1.304 -1.059 0.554 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.895 -2.324 1.160 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.582 -0.244 1.616 1.00 0.00 C ATOM 0 H LEU A 7 -2.086 0.127 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.236 -1.822 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.210 -2.302 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.382 -0.597 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.122 -0.461 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.573 -2.057 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.443 -2.873 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.092 -2.950 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.274 -0.005 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.253 -0.822 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.207 0.679 1.174 1.00 0.00 H new ATOM 136 N GLN A 8 -3.212 -2.662 -1.929 1.00 0.00 N ATOM 137 CA GLN A 8 -4.154 -3.775 -1.879 1.00 0.00 C ATOM 138 C GLN A 8 -4.495 -4.281 -3.281 1.00 0.00 C ATOM 139 O GLN A 8 -5.025 -5.381 -3.438 1.00 0.00 O ATOM 140 CB GLN A 8 -5.430 -3.353 -1.153 1.00 0.00 C ATOM 141 CG GLN A 8 -5.179 -2.813 0.245 1.00 0.00 C ATOM 142 CD GLN A 8 -6.458 -2.618 1.033 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.984 -1.509 1.121 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.968 -3.699 1.612 1.00 0.00 N ATOM 0 H GLN A 8 -3.646 -1.741 -1.989 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.679 -4.589 -1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.939 -2.591 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.102 -4.209 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.526 -3.500 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.652 -1.862 0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.499 -4.600 1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.828 -3.629 2.155 1.00 0.00 H new ATOM 153 N SER A 9 -4.190 -3.477 -4.295 1.00 0.00 N ATOM 154 CA SER A 9 -4.470 -3.853 -5.677 1.00 0.00 C ATOM 155 C SER A 9 -3.203 -4.334 -6.379 1.00 0.00 C ATOM 156 O SER A 9 -3.253 -5.230 -7.223 1.00 0.00 O ATOM 157 CB SER A 9 -5.069 -2.670 -6.437 1.00 0.00 C ATOM 158 OG SER A 9 -6.196 -2.145 -5.756 1.00 0.00 O ATOM 0 H SER A 9 -3.750 -2.563 -4.186 1.00 0.00 H new ATOM 0 HA SER A 9 -5.190 -4.671 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.316 -1.891 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.360 -2.987 -7.438 1.00 0.00 H new ATOM 0 HG SER A 9 -6.082 -1.180 -5.631 1.00 0.00 H new ATOM 164 N VAL A 10 -2.070 -3.734 -6.028 1.00 0.00 N ATOM 165 CA VAL A 10 -0.792 -4.103 -6.628 1.00 0.00 C ATOM 166 C VAL A 10 -0.512 -5.593 -6.463 1.00 0.00 C ATOM 167 O VAL A 10 0.111 -6.216 -7.322 1.00 0.00 O ATOM 168 CB VAL A 10 0.372 -3.304 -6.011 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.279 -1.836 -6.400 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.389 -3.464 -4.498 1.00 0.00 C ATOM 0 H VAL A 10 -2.010 -2.991 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.865 -3.866 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 10 1.308 -3.700 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.110 -1.288 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.324 -1.744 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.663 -1.423 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.218 -2.892 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.550 -3.097 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.511 -4.517 -4.245 1.00 0.00 H new ATOM 180 N GLY A 11 -0.979 -6.159 -5.354 1.00 0.00 N ATOM 181 CA GLY A 11 -0.769 -7.572 -5.099 1.00 0.00 C ATOM 182 C GLY A 11 0.065 -7.822 -3.859 1.00 0.00 C ATOM 183 O GLY A 11 0.849 -8.770 -3.810 1.00 0.00 O ATOM 0 H GLY A 11 -1.498 -5.665 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.735 -8.065 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.277 -8.024 -5.960 1.00 0.00 H new ATOM 187 N LEU A 12 -0.104 -6.971 -2.852 1.00 0.00 N ATOM 188 CA LEU A 12 0.639 -7.105 -1.604 1.00 0.00 C ATOM 189 C LEU A 12 -0.198 -7.823 -0.550 1.00 0.00 C ATOM 190 O LEU A 12 0.288 -8.721 0.138 1.00 0.00 O ATOM 191 CB LEU A 12 1.069 -5.728 -1.092 1.00 0.00 C ATOM 192 CG LEU A 12 2.578 -5.478 -1.094 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.883 -4.049 -1.513 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.168 -5.771 0.277 1.00 0.00 C ATOM 0 H LEU A 12 -0.749 -6.181 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 12 1.530 -7.702 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.589 -4.964 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.697 -5.603 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 12 3.037 -6.152 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.961 -3.891 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.495 -3.873 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.412 -3.357 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.242 -5.588 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.703 -5.123 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.982 -6.813 0.538 1.00 0.00 H new ATOM 206 N VAL A 13 -1.459 -7.420 -0.427 1.00 0.00 N ATOM 207 CA VAL A 13 -2.363 -8.025 0.543 1.00 0.00 C ATOM 208 C VAL A 13 -3.584 -8.626 -0.146 1.00 0.00 C ATOM 209 O VAL A 13 -4.441 -7.904 -0.654 1.00 0.00 O ATOM 210 CB VAL A 13 -2.834 -6.998 1.590 1.00 0.00 C ATOM 211 CG1 VAL A 13 -1.743 -6.747 2.621 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.251 -5.699 0.918 1.00 0.00 C ATOM 0 H VAL A 13 -1.877 -6.677 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.805 -8.815 1.046 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.703 -7.407 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.094 -6.019 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.499 -7.681 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.854 -6.361 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.580 -4.987 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.404 -5.283 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.068 -5.895 0.224 1.00 0.00 H new ATOM 337 N THR A 20 -11.459 -4.200 2.651 1.00 0.00 N ATOM 338 CA THR A 20 -10.205 -3.778 3.266 1.00 0.00 C ATOM 339 C THR A 20 -10.245 -3.966 4.779 1.00 0.00 C ATOM 340 O THR A 20 -11.181 -3.527 5.445 1.00 0.00 O ATOM 341 CB THR A 20 -9.915 -2.314 2.931 1.00 0.00 C ATOM 342 OG1 THR A 20 -8.827 -1.830 3.699 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.094 -1.398 3.178 1.00 0.00 C ATOM 0 HA THR A 20 -9.407 -4.402 2.863 1.00 0.00 H new ATOM 0 HB THR A 20 -9.684 -2.302 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.168 -1.350 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.820 -0.375 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.936 -1.715 2.562 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.376 -1.444 4.230 1.00 0.00 H new ATOM 351 N ASP A 21 -9.219 -4.621 5.313 1.00 0.00 N ATOM 352 CA ASP A 21 -9.131 -4.868 6.748 1.00 0.00 C ATOM 353 C ASP A 21 -7.973 -4.089 7.367 1.00 0.00 C ATOM 354 O ASP A 21 -7.997 -3.762 8.554 1.00 0.00 O ATOM 355 CB ASP A 21 -8.957 -6.363 7.019 1.00 0.00 C ATOM 356 CG ASP A 21 -9.280 -6.733 8.454 1.00 0.00 C ATOM 357 OD1 ASP A 21 -10.447 -6.557 8.863 1.00 0.00 O ATOM 358 OD2 ASP A 21 -8.366 -7.195 9.167 1.00 0.00 O ATOM 0 H ASP A 21 -8.436 -4.991 4.773 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.059 -4.527 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.602 -6.929 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.931 -6.653 6.794 1.00 0.00 H new ATOM 363 N MET A 22 -6.958 -3.795 6.556 1.00 0.00 N ATOM 364 CA MET A 22 -5.790 -3.056 7.026 1.00 0.00 C ATOM 365 C MET A 22 -6.198 -1.734 7.668 1.00 0.00 C ATOM 366 O MET A 22 -5.637 -1.328 8.686 1.00 0.00 O ATOM 367 CB MET A 22 -4.829 -2.796 5.865 1.00 0.00 C ATOM 368 CG MET A 22 -3.868 -3.943 5.601 1.00 0.00 C ATOM 369 SD MET A 22 -4.476 -5.082 4.341 1.00 0.00 S ATOM 370 CE MET A 22 -5.389 -6.247 5.351 1.00 0.00 C ATOM 0 H MET A 22 -6.922 -4.058 5.571 1.00 0.00 H new ATOM 0 HA MET A 22 -5.288 -3.662 7.780 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.408 -2.603 4.962 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.255 -1.893 6.075 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.905 -3.540 5.287 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.698 -4.490 6.528 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.967 -7.244 5.228 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.322 -5.951 6.398 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.434 -6.255 5.042 1.00 0.00 H new ATOM 380 N CYS A 23 -7.176 -1.066 7.067 1.00 0.00 N ATOM 381 CA CYS A 23 -7.657 0.211 7.581 1.00 0.00 C ATOM 382 C CYS A 23 -8.277 0.047 8.965 1.00 0.00 C ATOM 383 O CYS A 23 -8.282 0.981 9.768 1.00 0.00 O ATOM 384 CB CYS A 23 -8.682 0.818 6.620 1.00 0.00 C ATOM 385 SG CYS A 23 -10.199 -0.152 6.449 1.00 0.00 S ATOM 0 H CYS A 23 -7.651 -1.387 6.224 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.803 0.883 7.665 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.940 1.819 6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.222 0.929 5.638 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.003 0.443 5.618 1.00 0.00 H new ATOM 391 N ASN A 24 -8.801 -1.144 9.238 1.00 0.00 N ATOM 392 CA ASN A 24 -9.425 -1.426 10.526 1.00 0.00 C ATOM 393 C ASN A 24 -8.388 -1.866 11.555 1.00 0.00 C ATOM 394 O ASN A 24 -8.306 -1.306 12.647 1.00 0.00 O ATOM 395 CB ASN A 24 -10.496 -2.508 10.368 1.00 0.00 C ATOM 396 CG ASN A 24 -11.761 -2.185 11.140 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.135 -1.021 11.284 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.426 -3.218 11.643 1.00 0.00 N ATOM 0 H ASN A 24 -8.806 -1.928 8.586 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.892 -0.508 10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.738 -2.625 9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.098 -3.463 10.711 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.283 -3.063 12.173 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.079 -4.166 11.499 1.00 0.00 H new ATOM 405 N VAL A 25 -7.597 -2.875 11.199 1.00 0.00 N ATOM 406 CA VAL A 25 -6.568 -3.391 12.093 1.00 0.00 C ATOM 407 C VAL A 25 -5.581 -2.297 12.490 1.00 0.00 C ATOM 408 O VAL A 25 -5.112 -2.253 13.628 1.00 0.00 O ATOM 409 CB VAL A 25 -5.794 -4.557 11.446 1.00 0.00 C ATOM 410 CG1 VAL A 25 -6.736 -5.706 11.119 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.062 -4.089 10.198 1.00 0.00 C ATOM 0 H VAL A 25 -7.650 -3.350 10.298 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.079 -3.754 12.985 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.052 -4.915 12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.172 -6.520 10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.209 -6.061 12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.502 -5.362 10.425 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.522 -4.927 9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.782 -3.702 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.356 -3.302 10.464 1.00 0.00 H new ATOM 421 N GLY A 26 -5.271 -1.415 11.545 1.00 0.00 N ATOM 422 CA GLY A 26 -4.342 -0.334 11.815 1.00 0.00 C ATOM 423 C GLY A 26 -3.078 -0.430 10.983 1.00 0.00 C ATOM 424 O GLY A 26 -2.009 -0.001 11.413 1.00 0.00 O ATOM 0 H GLY A 26 -5.647 -1.430 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.832 0.619 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.078 -0.342 12.873 1.00 0.00 H new ATOM 428 N ALA A 27 -3.202 -0.998 9.787 1.00 0.00 N ATOM 429 CA ALA A 27 -2.062 -1.151 8.891 1.00 0.00 C ATOM 430 C ALA A 27 -1.876 0.091 8.025 1.00 0.00 C ATOM 431 O ALA A 27 -0.751 0.510 7.756 1.00 0.00 O ATOM 432 CB ALA A 27 -2.240 -2.385 8.019 1.00 0.00 C ATOM 0 H ALA A 27 -4.081 -1.360 9.417 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.165 -1.276 9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.382 -2.488 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.317 -3.269 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.148 -2.283 7.425 1.00 0.00 H new ATOM 438 N VAL A 28 -2.988 0.674 7.592 1.00 0.00 N ATOM 439 CA VAL A 28 -2.948 1.868 6.757 1.00 0.00 C ATOM 440 C VAL A 28 -2.381 3.056 7.528 1.00 0.00 C ATOM 441 O VAL A 28 -3.005 3.556 8.465 1.00 0.00 O ATOM 442 CB VAL A 28 -4.351 2.228 6.230 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.289 3.445 5.318 1.00 0.00 C ATOM 444 CG2 VAL A 28 -4.969 1.043 5.506 1.00 0.00 C ATOM 0 H VAL A 28 -3.928 0.339 7.805 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.298 1.646 5.911 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.983 2.476 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.290 3.681 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.893 4.296 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.639 3.231 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.959 1.316 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.337 0.761 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.055 0.201 6.193 1.00 0.00 H new ATOM 454 N TRP A 29 -1.196 3.504 7.126 1.00 0.00 N ATOM 455 CA TRP A 29 -0.545 4.635 7.777 1.00 0.00 C ATOM 456 C TRP A 29 0.167 5.512 6.754 1.00 0.00 C ATOM 457 O TRP A 29 1.153 5.098 6.144 1.00 0.00 O ATOM 458 CB TRP A 29 0.453 4.142 8.826 1.00 0.00 C ATOM 459 CG TRP A 29 -0.173 3.862 10.159 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.112 2.912 10.440 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.096 4.540 11.391 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.445 2.958 11.773 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.716 3.948 12.378 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.945 5.589 11.756 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.703 4.372 13.704 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.956 6.007 13.074 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.138 5.399 14.034 1.00 0.00 C ATOM 0 H TRP A 29 -0.667 3.101 6.353 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.313 5.231 8.270 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.934 3.234 8.461 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.236 4.889 8.951 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.532 2.225 9.720 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.124 2.354 12.236 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.580 6.064 11.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.335 3.906 14.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.607 6.817 13.368 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.172 5.748 15.056 1.00 0.00 H new ATOM 478 N LEU A 30 -0.340 6.727 6.570 1.00 0.00 N ATOM 479 CA LEU A 30 0.246 7.664 5.619 1.00 0.00 C ATOM 480 C LEU A 30 1.096 8.709 6.336 1.00 0.00 C ATOM 481 O LEU A 30 0.766 9.136 7.442 1.00 0.00 O ATOM 482 CB LEU A 30 -0.853 8.353 4.807 1.00 0.00 C ATOM 483 CG LEU A 30 -0.524 8.570 3.326 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.545 7.868 2.441 1.00 0.00 C ATOM 485 CD2 LEU A 30 -0.469 10.055 3.001 1.00 0.00 C ATOM 0 H LEU A 30 -1.155 7.085 7.067 1.00 0.00 H new ATOM 0 HA LEU A 30 0.890 7.101 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.764 7.758 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.068 9.320 5.262 1.00 0.00 H new ATOM 0 HG LEU A 30 0.457 8.138 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.294 8.034 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.535 6.799 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.538 8.268 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.234 10.188 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.435 10.511 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.302 10.532 3.607 1.00 0.00 H new ATOM 497 N ASN A 31 2.192 9.113 5.696 1.00 0.00 N ATOM 498 CA ASN A 31 3.100 10.110 6.262 1.00 0.00 C ATOM 499 C ASN A 31 3.370 9.843 7.742 1.00 0.00 C ATOM 500 O ASN A 31 3.497 10.774 8.537 1.00 0.00 O ATOM 501 CB ASN A 31 2.529 11.518 6.078 1.00 0.00 C ATOM 502 CG ASN A 31 1.236 11.729 6.842 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.202 11.628 8.068 1.00 0.00 O ATOM 504 ND2 ASN A 31 0.163 12.025 6.117 1.00 0.00 N ATOM 0 H ASN A 31 2.474 8.763 4.780 1.00 0.00 H new ATOM 0 HA ASN A 31 4.047 10.036 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.265 12.250 6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.353 11.699 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.735 12.179 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.237 12.099 5.102 1.00 0.00 H new ATOM 511 N GLY A 32 3.455 8.566 8.101 1.00 0.00 N ATOM 512 CA GLY A 32 3.710 8.200 9.483 1.00 0.00 C ATOM 513 C GLY A 32 2.543 8.529 10.394 1.00 0.00 C ATOM 514 O GLY A 32 2.737 8.886 11.557 1.00 0.00 O ATOM 0 H GLY A 32 3.352 7.779 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.922 7.132 9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.600 8.721 9.835 1.00 0.00 H new ATOM 518 N SER A 33 1.330 8.410 9.866 1.00 0.00 N ATOM 519 CA SER A 33 0.128 8.698 10.640 1.00 0.00 C ATOM 520 C SER A 33 -0.995 7.729 10.284 1.00 0.00 C ATOM 521 O SER A 33 -1.093 7.269 9.146 1.00 0.00 O ATOM 522 CB SER A 33 -0.329 10.137 10.396 1.00 0.00 C ATOM 523 OG SER A 33 -0.832 10.721 11.584 1.00 0.00 O ATOM 0 H SER A 33 1.153 8.116 8.905 1.00 0.00 H new ATOM 0 HA SER A 33 0.369 8.574 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.507 10.729 10.022 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.100 10.151 9.626 1.00 0.00 H new ATOM 0 HG SER A 33 -1.116 11.641 11.401 1.00 0.00 H new ATOM 529 N CYS A 34 -1.839 7.422 11.264 1.00 0.00 N ATOM 530 CA CYS A 34 -2.954 6.507 11.053 1.00 0.00 C ATOM 531 C CYS A 34 -3.934 7.067 10.027 1.00 0.00 C ATOM 532 O CYS A 34 -4.384 8.207 10.142 1.00 0.00 O ATOM 533 CB CYS A 34 -3.679 6.239 12.373 1.00 0.00 C ATOM 534 SG CYS A 34 -4.230 7.734 13.229 1.00 0.00 S ATOM 0 H CYS A 34 -1.772 7.794 12.212 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.552 5.569 10.670 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.544 5.605 12.178 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.016 5.679 13.032 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.553 8.640 12.355 1.00 0.00 H new ATOM 540 N ALA A 35 -4.258 6.260 9.022 1.00 0.00 N ATOM 541 CA ALA A 35 -5.183 6.676 7.974 1.00 0.00 C ATOM 542 C ALA A 35 -6.183 5.569 7.654 1.00 0.00 C ATOM 543 O ALA A 35 -5.874 4.384 7.784 1.00 0.00 O ATOM 544 CB ALA A 35 -4.417 7.075 6.723 1.00 0.00 C ATOM 0 H ALA A 35 -3.894 5.314 8.911 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.740 7.540 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.120 7.383 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.747 7.903 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.834 6.225 6.367 1.00 0.00 H new ATOM 550 N LYS A 36 -7.379 5.963 7.235 1.00 0.00 N ATOM 551 CA LYS A 36 -8.424 5.005 6.894 1.00 0.00 C ATOM 552 C LYS A 36 -8.212 4.448 5.488 1.00 0.00 C ATOM 553 O LYS A 36 -7.124 4.566 4.924 1.00 0.00 O ATOM 554 CB LYS A 36 -9.802 5.665 6.998 1.00 0.00 C ATOM 555 CG LYS A 36 -10.845 4.791 7.678 1.00 0.00 C ATOM 556 CD LYS A 36 -12.052 4.554 6.783 1.00 0.00 C ATOM 557 CE LYS A 36 -13.233 5.415 7.198 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.271 6.703 6.454 1.00 0.00 N ATOM 0 H LYS A 36 -7.650 6.940 7.123 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.373 4.178 7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.707 6.600 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.150 5.920 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.398 3.834 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.167 5.264 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.787 4.773 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.335 3.502 6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.160 4.868 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.177 5.616 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.252 7.043 6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.689 7.408 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.899 6.560 5.494 1.00 0.00 H new ATOM 572 N ALA A 37 -9.256 3.845 4.925 1.00 0.00 N ATOM 573 CA ALA A 37 -9.176 3.274 3.586 1.00 0.00 C ATOM 574 C ALA A 37 -9.668 4.263 2.534 1.00 0.00 C ATOM 575 O ALA A 37 -10.157 3.866 1.475 1.00 0.00 O ATOM 576 CB ALA A 37 -9.981 1.986 3.514 1.00 0.00 C ATOM 0 H ALA A 37 -10.165 3.740 5.375 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.130 3.051 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.913 1.570 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.584 1.268 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.024 2.195 3.750 1.00 0.00 H new ATOM 582 N SER A 38 -9.536 5.553 2.828 1.00 0.00 N ATOM 583 CA SER A 38 -9.966 6.595 1.905 1.00 0.00 C ATOM 584 C SER A 38 -8.958 7.740 1.872 1.00 0.00 C ATOM 585 O SER A 38 -9.312 8.884 1.586 1.00 0.00 O ATOM 586 CB SER A 38 -11.347 7.125 2.303 1.00 0.00 C ATOM 587 OG SER A 38 -11.869 6.415 3.414 1.00 0.00 O ATOM 0 H SER A 38 -9.134 5.901 3.699 1.00 0.00 H new ATOM 0 HA SER A 38 -10.028 6.159 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.276 8.185 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.030 7.037 1.458 1.00 0.00 H new ATOM 0 HG SER A 38 -12.841 6.537 3.453 1.00 0.00 H new ATOM 593 N LYS A 39 -7.700 7.425 2.168 1.00 0.00 N ATOM 594 CA LYS A 39 -6.644 8.430 2.171 1.00 0.00 C ATOM 595 C LYS A 39 -5.993 8.536 0.795 1.00 0.00 C ATOM 596 O LYS A 39 -5.791 7.530 0.115 1.00 0.00 O ATOM 597 CB LYS A 39 -5.588 8.088 3.223 1.00 0.00 C ATOM 598 CG LYS A 39 -4.705 9.266 3.604 1.00 0.00 C ATOM 599 CD LYS A 39 -5.347 10.119 4.688 1.00 0.00 C ATOM 600 CE LYS A 39 -5.795 11.468 4.146 1.00 0.00 C ATOM 601 NZ LYS A 39 -6.816 12.107 5.021 1.00 0.00 N ATOM 0 H LYS A 39 -7.389 6.484 2.408 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.092 9.393 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.086 7.714 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.960 7.281 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.739 8.900 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.515 9.879 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.204 9.592 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.637 10.270 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.932 12.127 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.205 11.339 3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.095 13.024 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.651 11.490 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.417 12.254 5.970 1.00 0.00 H new ATOM 615 N GLU A 40 -5.669 9.759 0.391 1.00 0.00 N ATOM 616 CA GLU A 40 -5.042 9.995 -0.903 1.00 0.00 C ATOM 617 C GLU A 40 -3.521 9.988 -0.783 1.00 0.00 C ATOM 618 O GLU A 40 -2.953 10.656 0.080 1.00 0.00 O ATOM 619 CB GLU A 40 -5.517 11.328 -1.488 1.00 0.00 C ATOM 620 CG GLU A 40 -6.304 11.179 -2.779 1.00 0.00 C ATOM 621 CD GLU A 40 -7.796 11.353 -2.576 1.00 0.00 C ATOM 622 OE1 GLU A 40 -8.306 10.926 -1.520 1.00 0.00 O ATOM 623 OE2 GLU A 40 -8.455 11.918 -3.475 1.00 0.00 O ATOM 0 H GLU A 40 -5.830 10.602 0.941 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.336 9.188 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.137 11.838 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.651 11.964 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.951 11.915 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.112 10.195 -3.206 1.00 0.00 H new ATOM 630 N VAL A 41 -2.869 9.228 -1.656 1.00 0.00 N ATOM 631 CA VAL A 41 -1.414 9.134 -1.651 1.00 0.00 C ATOM 632 C VAL A 41 -0.812 9.904 -2.820 1.00 0.00 C ATOM 633 O VAL A 41 -1.533 10.490 -3.628 1.00 0.00 O ATOM 634 CB VAL A 41 -0.943 7.669 -1.719 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.178 6.969 -0.389 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.649 6.934 -2.849 1.00 0.00 C ATOM 0 H VAL A 41 -3.325 8.668 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.072 9.573 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 41 0.128 7.660 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.839 5.935 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.622 7.482 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.242 6.987 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.304 5.901 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.725 6.952 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.424 7.422 -3.797 1.00 0.00 H new ATOM 646 N LYS A 42 0.513 9.897 -2.906 1.00 0.00 N ATOM 647 CA LYS A 42 1.211 10.595 -3.980 1.00 0.00 C ATOM 648 C LYS A 42 2.581 9.976 -4.230 1.00 0.00 C ATOM 649 O LYS A 42 3.026 9.105 -3.482 1.00 0.00 O ATOM 650 CB LYS A 42 1.361 12.079 -3.636 1.00 0.00 C ATOM 651 CG LYS A 42 1.050 13.007 -4.799 1.00 0.00 C ATOM 652 CD LYS A 42 1.878 14.283 -4.735 1.00 0.00 C ATOM 653 CE LYS A 42 1.003 15.507 -4.507 1.00 0.00 C ATOM 654 NZ LYS A 42 1.766 16.629 -3.895 1.00 0.00 N ATOM 0 H LYS A 42 1.125 9.417 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 42 0.619 10.498 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.700 12.319 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.380 12.264 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.247 12.492 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.010 13.260 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.609 14.203 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.437 14.402 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.579 15.832 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.168 15.240 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.134 17.443 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.150 16.328 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.548 16.901 -4.524 1.00 0.00 H new ATOM 668 N ALA A 43 3.245 10.429 -5.288 1.00 0.00 N ATOM 669 CA ALA A 43 4.565 9.920 -5.638 1.00 0.00 C ATOM 670 C ALA A 43 5.619 10.407 -4.650 1.00 0.00 C ATOM 671 O ALA A 43 5.683 11.594 -4.329 1.00 0.00 O ATOM 672 CB ALA A 43 4.932 10.335 -7.055 1.00 0.00 C ATOM 0 H ALA A 43 2.890 11.148 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 43 4.534 8.832 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.920 9.948 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.199 9.932 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.940 11.423 -7.125 1.00 0.00 H new ATOM 678 N GLY A 44 6.445 9.482 -4.170 1.00 0.00 N ATOM 679 CA GLY A 44 7.484 9.837 -3.222 1.00 0.00 C ATOM 680 C GLY A 44 6.958 9.963 -1.806 1.00 0.00 C ATOM 681 O GLY A 44 7.510 10.706 -0.996 1.00 0.00 O ATOM 0 H GLY A 44 6.413 8.494 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.269 9.082 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.939 10.781 -3.523 1.00 0.00 H new ATOM 685 N ASP A 45 5.888 9.233 -1.508 1.00 0.00 N ATOM 686 CA ASP A 45 5.287 9.266 -0.179 1.00 0.00 C ATOM 687 C ASP A 45 5.616 7.995 0.598 1.00 0.00 C ATOM 688 O ASP A 45 6.012 6.985 0.016 1.00 0.00 O ATOM 689 CB ASP A 45 3.769 9.435 -0.287 1.00 0.00 C ATOM 690 CG ASP A 45 3.328 10.864 -0.035 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.194 11.245 1.146 1.00 0.00 O ATOM 692 OD2 ASP A 45 3.116 11.601 -1.021 1.00 0.00 O ATOM 0 H ASP A 45 5.420 8.612 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 45 5.702 10.117 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.441 9.126 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.281 8.775 0.430 1.00 0.00 H new ATOM 697 N THR A 46 5.450 8.053 1.915 1.00 0.00 N ATOM 698 CA THR A 46 5.730 6.906 2.772 1.00 0.00 C ATOM 699 C THR A 46 4.464 6.096 3.031 1.00 0.00 C ATOM 700 O THR A 46 3.376 6.654 3.172 1.00 0.00 O ATOM 701 CB THR A 46 6.333 7.369 4.098 1.00 0.00 C ATOM 702 OG1 THR A 46 7.240 8.438 3.892 1.00 0.00 O ATOM 703 CG2 THR A 46 7.072 6.273 4.833 1.00 0.00 C ATOM 0 H THR A 46 5.123 8.881 2.412 1.00 0.00 H new ATOM 0 HA THR A 46 6.448 6.268 2.257 1.00 0.00 H new ATOM 0 HB THR A 46 5.485 7.684 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.613 8.721 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.475 6.668 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.386 5.455 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.888 5.905 4.212 1.00 0.00 H new ATOM 711 N ILE A 47 4.615 4.779 3.093 1.00 0.00 N ATOM 712 CA ILE A 47 3.486 3.889 3.338 1.00 0.00 C ATOM 713 C ILE A 47 3.816 2.874 4.427 1.00 0.00 C ATOM 714 O ILE A 47 4.538 1.906 4.189 1.00 0.00 O ATOM 715 CB ILE A 47 3.076 3.139 2.056 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.899 4.122 0.898 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.795 2.350 2.289 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.791 5.129 1.124 1.00 0.00 C ATOM 0 H ILE A 47 5.509 4.303 2.977 1.00 0.00 H new ATOM 0 HA ILE A 47 2.654 4.512 3.666 1.00 0.00 H new ATOM 0 HB ILE A 47 3.869 2.438 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.836 4.655 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.690 3.563 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.519 1.826 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.954 1.626 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.994 3.033 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.722 5.794 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.844 4.605 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.008 5.714 2.018 1.00 0.00 H new ATOM 730 N SER A 48 3.285 3.103 5.624 1.00 0.00 N ATOM 731 CA SER A 48 3.529 2.207 6.750 1.00 0.00 C ATOM 732 C SER A 48 2.461 1.122 6.828 1.00 0.00 C ATOM 733 O SER A 48 1.290 1.365 6.535 1.00 0.00 O ATOM 734 CB SER A 48 3.565 3.002 8.058 1.00 0.00 C ATOM 735 OG SER A 48 3.360 2.155 9.177 1.00 0.00 O ATOM 0 H SER A 48 2.685 3.899 5.839 1.00 0.00 H new ATOM 0 HA SER A 48 4.495 1.725 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.525 3.509 8.153 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.797 3.775 8.038 1.00 0.00 H new ATOM 0 HG SER A 48 3.389 2.687 10.000 1.00 0.00 H new ATOM 741 N LEU A 49 2.875 -0.077 7.226 1.00 0.00 N ATOM 742 CA LEU A 49 1.958 -1.205 7.347 1.00 0.00 C ATOM 743 C LEU A 49 2.078 -1.853 8.721 1.00 0.00 C ATOM 744 O LEU A 49 3.139 -1.818 9.345 1.00 0.00 O ATOM 745 CB LEU A 49 2.242 -2.240 6.257 1.00 0.00 C ATOM 746 CG LEU A 49 1.616 -1.940 4.894 1.00 0.00 C ATOM 747 CD1 LEU A 49 0.099 -2.013 4.975 1.00 0.00 C ATOM 748 CD2 LEU A 49 2.061 -0.573 4.393 1.00 0.00 C ATOM 0 H LEU A 49 3.841 -0.293 7.471 1.00 0.00 H new ATOM 0 HA LEU A 49 0.941 -0.831 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.321 -2.325 6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.883 -3.211 6.598 1.00 0.00 H new ATOM 0 HG LEU A 49 1.957 -2.694 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.328 -1.797 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.201 -3.013 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.262 -1.282 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.606 -0.376 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.749 0.194 5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.146 -0.557 4.295 1.00 0.00 H new ATOM 760 N HIS A 50 0.984 -2.445 9.191 1.00 0.00 N ATOM 761 CA HIS A 50 0.971 -3.101 10.494 1.00 0.00 C ATOM 762 C HIS A 50 0.780 -4.607 10.344 1.00 0.00 C ATOM 763 O HIS A 50 -0.197 -5.063 9.749 1.00 0.00 O ATOM 764 CB HIS A 50 -0.139 -2.521 11.371 1.00 0.00 C ATOM 765 CG HIS A 50 -0.033 -2.916 12.811 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.899 -3.656 13.461 1.00 0.00 N flip ATOM 767 CD2 HIS A 50 -0.958 -2.547 13.764 1.00 0.00 C flip ATOM 768 CE1 HIS A 50 0.521 -3.717 14.780 1.00 0.00 C flip ATOM 769 NE2 HIS A 50 -0.601 -3.041 14.937 1.00 0.00 N flip ATOM 0 H HIS A 50 0.096 -2.484 8.690 1.00 0.00 H new ATOM 0 HA HIS A 50 1.934 -2.920 10.972 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.117 -1.434 11.299 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.104 -2.847 10.984 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.838 -1.948 13.581 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.056 -4.235 15.562 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.107 -2.920 15.814 1.00 0.00 H new ATOM 778 N TYR A 51 1.721 -5.374 10.885 1.00 0.00 N ATOM 779 CA TYR A 51 1.657 -6.830 10.813 1.00 0.00 C ATOM 780 C TYR A 51 1.907 -7.455 12.181 1.00 0.00 C ATOM 781 O TYR A 51 2.097 -6.749 13.172 1.00 0.00 O ATOM 782 CB TYR A 51 2.681 -7.355 9.804 1.00 0.00 C ATOM 783 CG TYR A 51 2.262 -7.169 8.363 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.521 -8.140 7.704 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.610 -6.020 7.663 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.137 -7.973 6.387 1.00 0.00 C ATOM 787 CE2 TYR A 51 2.229 -5.846 6.346 1.00 0.00 C ATOM 788 CZ TYR A 51 1.493 -6.825 5.713 1.00 0.00 C ATOM 789 OH TYR A 51 1.112 -6.654 4.402 1.00 0.00 O ATOM 0 H TYR A 51 2.537 -5.012 11.378 1.00 0.00 H new ATOM 0 HA TYR A 51 0.656 -7.110 10.485 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.631 -6.846 9.966 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.851 -8.415 9.990 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.240 -9.041 8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.187 -5.251 8.156 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.561 -8.738 5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.506 -4.947 5.815 1.00 0.00 H new ATOM 0 HH TYR A 51 1.443 -5.791 4.075 1.00 0.00 H new ATOM 799 N LEU A 52 1.903 -8.783 12.229 1.00 0.00 N ATOM 800 CA LEU A 52 2.129 -9.504 13.476 1.00 0.00 C ATOM 801 C LEU A 52 3.619 -9.594 13.791 1.00 0.00 C ATOM 802 O LEU A 52 4.020 -9.592 14.955 1.00 0.00 O ATOM 803 CB LEU A 52 1.528 -10.909 13.395 1.00 0.00 C ATOM 804 CG LEU A 52 2.030 -11.763 12.226 1.00 0.00 C ATOM 805 CD1 LEU A 52 2.431 -13.149 12.707 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.968 -11.860 11.142 1.00 0.00 C ATOM 0 H LEU A 52 1.746 -9.382 11.418 1.00 0.00 H new ATOM 0 HA LEU A 52 1.639 -8.952 14.278 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.742 -11.433 14.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.444 -10.820 13.321 1.00 0.00 H new ATOM 0 HG LEU A 52 2.911 -11.280 11.803 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.784 -13.739 11.862 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.227 -13.061 13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.569 -13.641 13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.342 -12.470 10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.069 -12.318 11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.731 -10.862 10.774 1.00 0.00 H new ATOM 818 N LYS A 53 4.435 -9.671 12.744 1.00 0.00 N ATOM 819 CA LYS A 53 5.881 -9.761 12.907 1.00 0.00 C ATOM 820 C LYS A 53 6.477 -8.399 13.247 1.00 0.00 C ATOM 821 O LYS A 53 7.483 -8.308 13.951 1.00 0.00 O ATOM 822 CB LYS A 53 6.527 -10.310 11.633 1.00 0.00 C ATOM 823 CG LYS A 53 6.234 -9.476 10.396 1.00 0.00 C ATOM 824 CD LYS A 53 5.947 -10.352 9.185 1.00 0.00 C ATOM 825 CE LYS A 53 4.784 -9.812 8.367 1.00 0.00 C ATOM 826 NZ LYS A 53 3.622 -10.742 8.372 1.00 0.00 N ATOM 0 H LYS A 53 4.119 -9.673 11.774 1.00 0.00 H new ATOM 0 HA LYS A 53 6.086 -10.443 13.732 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.606 -10.365 11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.175 -11.328 11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.379 -8.828 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.084 -8.828 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.837 -10.411 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.721 -11.366 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.477 -8.846 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.110 -9.644 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.752 -10.212 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.763 -11.478 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.537 -11.187 9.308 1.00 0.00 H new ATOM 840 N GLY A 54 5.851 -7.343 12.739 1.00 0.00 N ATOM 841 CA GLY A 54 6.333 -5.999 12.999 1.00 0.00 C ATOM 842 C GLY A 54 5.724 -4.975 12.061 1.00 0.00 C ATOM 843 O GLY A 54 4.692 -5.227 11.440 1.00 0.00 O ATOM 0 H GLY A 54 5.018 -7.394 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.103 -5.726 14.029 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.418 -5.979 12.899 1.00 0.00 H new ATOM 847 N ILE A 55 6.366 -3.815 11.957 1.00 0.00 N ATOM 848 CA ILE A 55 5.881 -2.749 11.089 1.00 0.00 C ATOM 849 C ILE A 55 6.834 -2.514 9.923 1.00 0.00 C ATOM 850 O ILE A 55 8.054 -2.549 10.087 1.00 0.00 O ATOM 851 CB ILE A 55 5.705 -1.427 11.860 1.00 0.00 C ATOM 852 CG1 ILE A 55 4.970 -1.672 13.180 1.00 0.00 C ATOM 853 CG2 ILE A 55 4.955 -0.413 11.010 1.00 0.00 C ATOM 854 CD1 ILE A 55 3.562 -2.194 12.999 1.00 0.00 C ATOM 0 H ILE A 55 7.223 -3.590 12.463 1.00 0.00 H new ATOM 0 HA ILE A 55 4.912 -3.072 10.709 1.00 0.00 H new ATOM 0 HB ILE A 55 6.692 -1.023 12.086 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.539 -2.385 13.777 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.934 -0.740 13.745 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.839 0.515 11.569 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.516 -0.218 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.972 -0.808 10.755 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.101 -2.345 13.975 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.977 -1.472 12.429 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.592 -3.142 12.462 1.00 0.00 H new ATOM 866 N GLU A 56 6.269 -2.268 8.745 1.00 0.00 N ATOM 867 CA GLU A 56 7.067 -2.021 7.551 1.00 0.00 C ATOM 868 C GLU A 56 6.709 -0.675 6.932 1.00 0.00 C ATOM 869 O GLU A 56 5.545 -0.406 6.635 1.00 0.00 O ATOM 870 CB GLU A 56 6.858 -3.137 6.527 1.00 0.00 C ATOM 871 CG GLU A 56 7.181 -4.524 7.063 1.00 0.00 C ATOM 872 CD GLU A 56 8.103 -5.303 6.148 1.00 0.00 C ATOM 873 OE1 GLU A 56 8.914 -4.668 5.441 1.00 0.00 O ATOM 874 OE2 GLU A 56 8.015 -6.549 6.136 1.00 0.00 O ATOM 0 H GLU A 56 5.261 -2.235 8.593 1.00 0.00 H new ATOM 0 HA GLU A 56 8.117 -2.002 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.822 -3.119 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.481 -2.940 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.644 -4.431 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.254 -5.082 7.199 1.00 0.00 H new ATOM 881 N GLU A 57 7.717 0.167 6.743 1.00 0.00 N ATOM 882 CA GLU A 57 7.509 1.488 6.161 1.00 0.00 C ATOM 883 C GLU A 57 7.999 1.530 4.716 1.00 0.00 C ATOM 884 O GLU A 57 9.199 1.608 4.460 1.00 0.00 O ATOM 885 CB GLU A 57 8.232 2.552 6.988 1.00 0.00 C ATOM 886 CG GLU A 57 7.814 3.974 6.649 1.00 0.00 C ATOM 887 CD GLU A 57 7.625 4.836 7.883 1.00 0.00 C ATOM 888 OE1 GLU A 57 6.628 4.627 8.605 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.474 5.719 8.125 1.00 0.00 O ATOM 0 H GLU A 57 8.686 -0.040 6.984 1.00 0.00 H new ATOM 0 HA GLU A 57 6.439 1.697 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.043 2.369 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.306 2.452 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.568 4.427 6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.884 3.950 6.081 1.00 0.00 H new ATOM 896 N TYR A 58 7.059 1.480 3.778 1.00 0.00 N ATOM 897 CA TYR A 58 7.393 1.514 2.360 1.00 0.00 C ATOM 898 C TYR A 58 7.409 2.947 1.842 1.00 0.00 C ATOM 899 O TYR A 58 7.163 3.892 2.593 1.00 0.00 O ATOM 900 CB TYR A 58 6.394 0.679 1.555 1.00 0.00 C ATOM 901 CG TYR A 58 6.249 -0.741 2.054 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.515 -1.024 3.200 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.845 -1.799 1.379 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.380 -2.321 3.658 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.714 -3.099 1.832 1.00 0.00 C ATOM 906 CZ TYR A 58 5.981 -3.354 2.971 1.00 0.00 C ATOM 907 OH TYR A 58 5.848 -4.646 3.426 1.00 0.00 O ATOM 0 H TYR A 58 6.060 1.416 3.975 1.00 0.00 H new ATOM 0 HA TYR A 58 8.389 1.089 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.420 1.166 1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.709 0.658 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.043 -0.218 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.420 -1.603 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.806 -2.524 4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.184 -3.910 1.296 1.00 0.00 H new ATOM 0 HH TYR A 58 6.331 -5.255 2.828 1.00 0.00 H new ATOM 917 N THR A 59 7.699 3.104 0.556 1.00 0.00 N ATOM 918 CA THR A 59 7.747 4.424 -0.061 1.00 0.00 C ATOM 919 C THR A 59 7.315 4.360 -1.522 1.00 0.00 C ATOM 920 O THR A 59 7.823 3.549 -2.296 1.00 0.00 O ATOM 921 CB THR A 59 9.161 5.002 0.039 1.00 0.00 C ATOM 922 OG1 THR A 59 9.546 5.154 1.394 1.00 0.00 O ATOM 923 CG2 THR A 59 9.307 6.352 -0.633 1.00 0.00 C ATOM 0 H THR A 59 7.905 2.333 -0.080 1.00 0.00 H new ATOM 0 HA THR A 59 7.055 5.074 0.474 1.00 0.00 H new ATOM 0 HB THR A 59 9.801 4.286 -0.477 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.742 6.097 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.333 6.703 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.065 6.259 -1.692 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.628 7.066 -0.167 1.00 0.00 H new ATOM 931 N ILE A 60 6.378 5.226 -1.895 1.00 0.00 N ATOM 932 CA ILE A 60 5.882 5.273 -3.264 1.00 0.00 C ATOM 933 C ILE A 60 6.912 5.909 -4.192 1.00 0.00 C ATOM 934 O ILE A 60 7.397 7.010 -3.933 1.00 0.00 O ATOM 935 CB ILE A 60 4.564 6.064 -3.362 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.582 5.602 -2.283 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.953 5.904 -4.745 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.278 6.369 -2.284 1.00 0.00 C ATOM 0 H ILE A 60 5.947 5.905 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 60 5.699 4.243 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 60 4.779 7.120 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.371 4.542 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.054 5.705 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.022 6.469 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.649 6.279 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.749 4.850 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.631 5.988 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.478 7.427 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.784 6.246 -3.248 1.00 0.00 H new ATOM 950 N LEU A 61 7.247 5.207 -5.268 1.00 0.00 N ATOM 951 CA LEU A 61 8.226 5.703 -6.229 1.00 0.00 C ATOM 952 C LEU A 61 7.560 6.200 -7.512 1.00 0.00 C ATOM 953 O LEU A 61 8.238 6.677 -8.422 1.00 0.00 O ATOM 954 CB LEU A 61 9.238 4.605 -6.561 1.00 0.00 C ATOM 955 CG LEU A 61 10.043 4.084 -5.370 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.653 2.728 -5.690 1.00 0.00 C ATOM 957 CD2 LEU A 61 11.126 5.080 -4.983 1.00 0.00 C ATOM 0 H LEU A 61 6.856 4.293 -5.497 1.00 0.00 H new ATOM 0 HA LEU A 61 8.740 6.548 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.707 3.768 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.932 4.986 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 61 9.367 3.964 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.222 2.373 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.859 2.017 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.315 2.821 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.689 4.693 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.800 5.231 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.666 6.030 -4.711 1.00 0.00 H new ATOM 969 N GLN A 62 6.234 6.089 -7.588 1.00 0.00 N ATOM 970 CA GLN A 62 5.503 6.533 -8.770 1.00 0.00 C ATOM 971 C GLN A 62 4.004 6.289 -8.619 1.00 0.00 C ATOM 972 O GLN A 62 3.568 5.573 -7.718 1.00 0.00 O ATOM 973 CB GLN A 62 6.025 5.816 -10.019 1.00 0.00 C ATOM 974 CG GLN A 62 6.787 6.726 -10.968 1.00 0.00 C ATOM 975 CD GLN A 62 5.942 7.185 -12.140 1.00 0.00 C ATOM 976 OE1 GLN A 62 5.925 6.549 -13.194 1.00 0.00 O ATOM 977 NE2 GLN A 62 5.234 8.294 -11.961 1.00 0.00 N ATOM 0 H GLN A 62 5.649 5.698 -6.849 1.00 0.00 H new ATOM 0 HA GLN A 62 5.664 7.606 -8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.676 4.997 -9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.184 5.372 -10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.146 7.597 -10.420 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.666 6.201 -11.342 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.278 8.789 -11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.646 8.651 -12.714 1.00 0.00 H new ATOM 986 N ILE A 63 3.223 6.891 -9.512 1.00 0.00 N ATOM 987 CA ILE A 63 1.772 6.744 -9.489 1.00 0.00 C ATOM 988 C ILE A 63 1.233 6.430 -10.885 1.00 0.00 C ATOM 989 O ILE A 63 1.121 7.320 -11.727 1.00 0.00 O ATOM 990 CB ILE A 63 1.089 8.022 -8.965 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.694 8.437 -7.622 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.410 7.807 -8.834 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.430 7.449 -6.508 1.00 0.00 C ATOM 0 H ILE A 63 3.573 7.487 -10.262 1.00 0.00 H new ATOM 0 HA ILE A 63 1.545 5.917 -8.817 1.00 0.00 H new ATOM 0 HB ILE A 63 1.259 8.826 -9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.771 8.559 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.292 9.409 -7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.877 8.719 -8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.828 7.556 -9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.601 6.992 -8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.888 7.809 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.355 7.344 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.856 6.481 -6.771 1.00 0.00 H new ATOM 1005 N PRO A 64 0.892 5.156 -11.152 1.00 0.00 N ATOM 1006 CA PRO A 64 0.367 4.739 -12.456 1.00 0.00 C ATOM 1007 C PRO A 64 -1.083 5.171 -12.672 1.00 0.00 C ATOM 1008 O PRO A 64 -1.628 5.017 -13.765 1.00 0.00 O ATOM 1009 CB PRO A 64 0.473 3.216 -12.401 1.00 0.00 C ATOM 1010 CG PRO A 64 0.345 2.886 -10.955 1.00 0.00 C ATOM 1011 CD PRO A 64 0.992 4.024 -10.210 1.00 0.00 C ATOM 0 HA PRO A 64 0.916 5.192 -13.282 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.314 2.742 -12.988 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.424 2.869 -12.805 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.702 2.779 -10.671 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.836 1.940 -10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.476 4.235 -9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.029 3.801 -9.959 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.703 5.715 -11.627 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.086 6.173 -11.707 1.00 0.00 C ATOM 1021 C ALA A 65 -4.049 5.015 -11.955 1.00 0.00 C ATOM 1022 O ALA A 65 -5.042 5.164 -12.667 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.232 7.226 -12.798 1.00 0.00 C ATOM 0 H ALA A 65 -1.268 5.849 -10.714 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.344 6.618 -10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.269 7.559 -12.846 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.588 8.076 -12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.943 6.798 -13.758 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.754 3.864 -11.362 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.600 2.687 -11.517 1.00 0.00 C ATOM 1031 C LEU A 66 -4.671 1.895 -10.218 1.00 0.00 C ATOM 1032 O LEU A 66 -4.085 2.283 -9.208 1.00 0.00 O ATOM 1033 CB LEU A 66 -4.071 1.795 -12.641 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.563 1.543 -12.612 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -2.239 0.361 -11.711 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.037 1.303 -14.019 1.00 0.00 C ATOM 0 H LEU A 66 -2.936 3.721 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.604 3.025 -11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.585 0.835 -12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.330 2.250 -13.597 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.072 2.428 -12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.162 0.195 -11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.583 0.571 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.740 -0.531 -12.087 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.962 1.125 -13.980 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.533 0.433 -14.450 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.238 2.178 -14.637 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.393 0.780 -10.250 1.00 0.00 N ATOM 1049 CA LYS A 67 -5.540 -0.069 -9.075 1.00 0.00 C ATOM 1050 C LYS A 67 -4.795 -1.386 -9.264 1.00 0.00 C ATOM 1051 O LYS A 67 -3.760 -1.622 -8.639 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.019 -0.342 -8.796 1.00 0.00 C ATOM 1053 CG LYS A 67 -7.822 0.911 -8.484 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.317 0.645 -8.552 1.00 0.00 C ATOM 1055 CE LYS A 67 -9.890 1.025 -9.909 1.00 0.00 C ATOM 1056 NZ LYS A 67 -11.313 0.608 -10.048 1.00 0.00 N ATOM 0 H LYS A 67 -5.885 0.444 -11.078 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.109 0.455 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.458 -0.838 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.100 -1.033 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.561 1.274 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.559 1.698 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.509 -0.410 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.824 1.211 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.813 2.104 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.297 0.560 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.666 0.885 -10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.384 -0.424 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.884 1.071 -9.313 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.326 -2.241 -10.131 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.712 -3.536 -10.402 1.00 0.00 C ATOM 1072 C ASN A 68 -3.389 -3.366 -11.142 1.00 0.00 C ATOM 1073 O ASN A 68 -3.315 -2.659 -12.147 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.660 -4.410 -11.223 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.196 -5.852 -11.298 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -4.174 -6.104 -12.106 1.00 0.00 O flip ATOM 1077 ND2 ASN A 68 -5.750 -6.729 -10.635 1.00 0.00 N flip ATOM 0 H ASN A 68 -6.180 -2.061 -10.658 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.514 -4.024 -9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.656 -4.374 -10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.742 -4.005 -12.231 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.533 -6.490 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.426 -7.694 -10.694 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.347 -4.020 -10.638 1.00 0.00 N ATOM 1085 CA VAL A 69 -1.027 -3.942 -11.253 1.00 0.00 C ATOM 1086 C VAL A 69 -0.514 -5.332 -11.625 1.00 0.00 C ATOM 1087 O VAL A 69 -0.678 -6.286 -10.864 1.00 0.00 O ATOM 1088 CB VAL A 69 -0.008 -3.269 -10.315 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.288 -2.977 -11.055 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.588 -1.994 -9.720 1.00 0.00 C ATOM 0 H VAL A 69 -2.391 -4.609 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.133 -3.339 -12.155 1.00 0.00 H new ATOM 0 HB VAL A 69 0.213 -3.956 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.996 -2.502 -10.376 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.713 -3.909 -11.427 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.086 -2.310 -11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.147 -1.533 -9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.841 -1.300 -10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.486 -2.234 -9.151 1.00 0.00 H new ATOM 1100 N PRO A 70 0.120 -5.469 -12.804 1.00 0.00 N ATOM 1101 CA PRO A 70 0.656 -6.753 -13.265 1.00 0.00 C ATOM 1102 C PRO A 70 1.589 -7.390 -12.241 1.00 0.00 C ATOM 1103 O PRO A 70 2.166 -6.701 -11.400 1.00 0.00 O ATOM 1104 CB PRO A 70 1.429 -6.387 -14.535 1.00 0.00 C ATOM 1105 CG PRO A 70 0.800 -5.125 -15.012 1.00 0.00 C ATOM 1106 CD PRO A 70 0.364 -4.387 -13.777 1.00 0.00 C ATOM 0 HA PRO A 70 -0.134 -7.486 -13.430 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.489 -6.246 -14.326 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.354 -7.175 -15.285 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.507 -4.532 -15.592 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.050 -5.334 -15.662 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.133 -3.698 -13.428 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.535 -3.797 -13.957 1.00 0.00 H new ATOM 1114 N ARG A 71 1.732 -8.709 -12.318 1.00 0.00 N ATOM 1115 CA ARG A 71 2.596 -9.438 -11.397 1.00 0.00 C ATOM 1116 C ARG A 71 4.027 -9.495 -11.926 1.00 0.00 C ATOM 1117 O ARG A 71 4.607 -10.573 -12.069 1.00 0.00 O ATOM 1118 CB ARG A 71 2.060 -10.855 -11.178 1.00 0.00 C ATOM 1119 CG ARG A 71 2.840 -11.644 -10.137 1.00 0.00 C ATOM 1120 CD ARG A 71 1.924 -12.520 -9.296 1.00 0.00 C ATOM 1121 NE ARG A 71 2.096 -13.939 -9.595 1.00 0.00 N ATOM 1122 CZ ARG A 71 3.217 -14.616 -9.354 1.00 0.00 C ATOM 1123 NH1 ARG A 71 4.265 -14.008 -8.812 1.00 0.00 N ATOM 1124 NH2 ARG A 71 3.290 -15.905 -9.656 1.00 0.00 N ATOM 0 H ARG A 71 1.261 -9.294 -13.008 1.00 0.00 H new ATOM 0 HA ARG A 71 2.602 -8.909 -10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.016 -10.797 -10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.084 -11.395 -12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.584 -12.266 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.382 -10.955 -9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.126 -12.345 -8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.887 -12.235 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 71 1.312 -14.441 -10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.215 -13.017 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.121 -14.532 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.488 -16.377 -10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.148 -16.424 -9.472 1.00 0.00 H new ATOM 1138 N LYS A 72 4.592 -8.327 -12.215 1.00 0.00 N ATOM 1139 CA LYS A 72 5.955 -8.241 -12.727 1.00 0.00 C ATOM 1140 C LYS A 72 6.628 -6.953 -12.266 1.00 0.00 C ATOM 1141 O LYS A 72 7.682 -6.983 -11.632 1.00 0.00 O ATOM 1142 CB LYS A 72 5.952 -8.312 -14.255 1.00 0.00 C ATOM 1143 CG LYS A 72 6.079 -9.725 -14.802 1.00 0.00 C ATOM 1144 CD LYS A 72 7.482 -10.000 -15.324 1.00 0.00 C ATOM 1145 CE LYS A 72 7.448 -10.676 -16.686 1.00 0.00 C ATOM 1146 NZ LYS A 72 7.153 -12.131 -16.577 1.00 0.00 N ATOM 0 H LYS A 72 4.127 -7.426 -12.103 1.00 0.00 H new ATOM 0 HA LYS A 72 6.520 -9.085 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.029 -7.869 -14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.774 -7.708 -14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.835 -10.442 -14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.356 -9.871 -15.605 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.035 -9.063 -15.395 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.017 -10.633 -14.616 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.692 -10.198 -17.310 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.407 -10.537 -17.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.139 -12.554 -17.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.888 -12.592 -16.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.226 -12.264 -16.125 1.00 0.00 H new ATOM 1160 N ASP A 73 6.011 -5.821 -12.592 1.00 0.00 N ATOM 1161 CA ASP A 73 6.549 -4.519 -12.212 1.00 0.00 C ATOM 1162 C ASP A 73 5.754 -3.920 -11.057 1.00 0.00 C ATOM 1163 O ASP A 73 5.632 -2.700 -10.942 1.00 0.00 O ATOM 1164 CB ASP A 73 6.525 -3.568 -13.409 1.00 0.00 C ATOM 1165 CG ASP A 73 7.238 -4.141 -14.618 1.00 0.00 C ATOM 1166 OD1 ASP A 73 8.475 -3.988 -14.705 1.00 0.00 O ATOM 1167 OD2 ASP A 73 6.561 -4.742 -15.478 1.00 0.00 O ATOM 0 H ASP A 73 5.138 -5.779 -13.118 1.00 0.00 H new ATOM 0 HA ASP A 73 7.580 -4.658 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.491 -3.346 -13.672 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.992 -2.624 -13.129 1.00 0.00 H new ATOM 1172 N THR A 74 5.213 -4.785 -10.206 1.00 0.00 N ATOM 1173 CA THR A 74 4.428 -4.342 -9.060 1.00 0.00 C ATOM 1174 C THR A 74 5.320 -3.997 -7.867 1.00 0.00 C ATOM 1175 O THR A 74 4.827 -3.617 -6.806 1.00 0.00 O ATOM 1176 CB THR A 74 3.423 -5.424 -8.663 1.00 0.00 C ATOM 1177 OG1 THR A 74 2.718 -5.049 -7.493 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.065 -6.770 -8.402 1.00 0.00 C ATOM 0 H THR A 74 5.304 -5.798 -10.288 1.00 0.00 H new ATOM 0 HA THR A 74 3.894 -3.438 -9.352 1.00 0.00 H new ATOM 0 HB THR A 74 2.750 -5.520 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.288 -4.478 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.297 -7.492 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.575 -7.111 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.786 -6.678 -7.590 1.00 0.00 H new ATOM 1186 N HIS A 75 6.633 -4.133 -8.043 1.00 0.00 N ATOM 1187 CA HIS A 75 7.580 -3.834 -6.973 1.00 0.00 C ATOM 1188 C HIS A 75 8.458 -2.639 -7.331 1.00 0.00 C ATOM 1189 O HIS A 75 9.585 -2.520 -6.849 1.00 0.00 O ATOM 1190 CB HIS A 75 8.455 -5.056 -6.679 1.00 0.00 C ATOM 1191 CG HIS A 75 9.224 -5.554 -7.866 1.00 0.00 C ATOM 1192 ND1 HIS A 75 9.276 -4.884 -9.072 1.00 0.00 N ATOM 1193 CD2 HIS A 75 9.978 -6.668 -8.026 1.00 0.00 C ATOM 1194 CE1 HIS A 75 10.028 -5.565 -9.919 1.00 0.00 C ATOM 1195 NE2 HIS A 75 10.466 -6.650 -9.308 1.00 0.00 N ATOM 0 H HIS A 75 7.063 -4.447 -8.913 1.00 0.00 H new ATOM 0 HA HIS A 75 7.007 -3.582 -6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.157 -4.805 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.823 -5.861 -6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.161 -7.429 -7.282 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.247 -5.282 -10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.070 -7.360 -9.722 1.00 0.00 H new ATOM 1204 N LEU A 76 7.938 -1.756 -8.178 1.00 0.00 N ATOM 1205 CA LEU A 76 8.680 -0.572 -8.597 1.00 0.00 C ATOM 1206 C LEU A 76 8.012 0.702 -8.086 1.00 0.00 C ATOM 1207 O LEU A 76 8.686 1.680 -7.761 1.00 0.00 O ATOM 1208 CB LEU A 76 8.788 -0.527 -10.123 1.00 0.00 C ATOM 1209 CG LEU A 76 10.005 -1.246 -10.706 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.675 -1.837 -12.067 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.187 -0.294 -10.808 1.00 0.00 C ATOM 0 H LEU A 76 7.007 -1.838 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 76 9.680 -0.632 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.886 -0.967 -10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.815 0.516 -10.440 1.00 0.00 H new ATOM 0 HG LEU A 76 10.277 -2.062 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.553 -2.345 -12.466 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.858 -2.551 -11.965 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.377 -1.039 -12.747 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.045 -0.822 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.926 0.542 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.439 0.081 -9.816 1.00 0.00 H new ATOM 1223 N TYR A 77 6.685 0.683 -8.017 1.00 0.00 N ATOM 1224 CA TYR A 77 5.927 1.837 -7.546 1.00 0.00 C ATOM 1225 C TYR A 77 6.057 2.006 -6.033 1.00 0.00 C ATOM 1226 O TYR A 77 5.755 3.068 -5.491 1.00 0.00 O ATOM 1227 CB TYR A 77 4.453 1.693 -7.930 1.00 0.00 C ATOM 1228 CG TYR A 77 4.220 1.624 -9.422 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.283 2.767 -10.208 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.939 0.415 -10.045 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.071 2.709 -11.573 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.727 0.347 -11.408 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.794 1.496 -12.168 1.00 0.00 C ATOM 1234 OH TYR A 77 3.582 1.432 -13.526 1.00 0.00 O ATOM 0 H TYR A 77 6.112 -0.119 -8.281 1.00 0.00 H new ATOM 0 HA TYR A 77 6.339 2.726 -8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.052 0.792 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.896 2.537 -7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.501 3.718 -9.745 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.885 -0.487 -9.454 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.122 3.608 -12.170 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.510 -0.601 -11.877 1.00 0.00 H new ATOM 0 HH TYR A 77 3.400 0.505 -13.785 1.00 0.00 H new ATOM 1244 N ILE A 78 6.505 0.952 -5.355 1.00 0.00 N ATOM 1245 CA ILE A 78 6.672 0.990 -3.906 1.00 0.00 C ATOM 1246 C ILE A 78 7.793 0.057 -3.460 1.00 0.00 C ATOM 1247 O ILE A 78 7.914 -1.064 -3.954 1.00 0.00 O ATOM 1248 CB ILE A 78 5.366 0.603 -3.182 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.535 0.727 -1.667 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.948 -0.810 -3.560 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.244 0.548 -0.898 1.00 0.00 C ATOM 0 H ILE A 78 6.758 0.063 -5.786 1.00 0.00 H new ATOM 0 HA ILE A 78 6.933 2.014 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 78 4.580 1.290 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.256 -0.016 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.954 1.706 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.025 -1.068 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.786 -0.866 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.733 -1.510 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.439 0.649 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.527 1.308 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.834 -0.442 -1.100 1.00 0.00 H new ATOM 1263 N ALA A 79 8.611 0.527 -2.524 1.00 0.00 N ATOM 1264 CA ALA A 79 9.722 -0.268 -2.015 1.00 0.00 C ATOM 1265 C ALA A 79 9.888 -0.081 -0.507 1.00 0.00 C ATOM 1266 O ALA A 79 9.765 1.032 0.003 1.00 0.00 O ATOM 1267 CB ALA A 79 11.008 0.105 -2.737 1.00 0.00 C ATOM 0 H ALA A 79 8.526 1.452 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 79 9.501 -1.319 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.831 -0.495 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.894 -0.084 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.222 1.162 -2.576 1.00 0.00 H new ATOM 1273 N PRO A 80 10.170 -1.171 0.231 1.00 0.00 N ATOM 1274 CA PRO A 80 10.353 -1.112 1.686 1.00 0.00 C ATOM 1275 C PRO A 80 11.504 -0.196 2.087 1.00 0.00 C ATOM 1276 O PRO A 80 12.646 -0.405 1.678 1.00 0.00 O ATOM 1277 CB PRO A 80 10.667 -2.561 2.078 1.00 0.00 C ATOM 1278 CG PRO A 80 10.174 -3.388 0.941 1.00 0.00 C ATOM 1279 CD PRO A 80 10.336 -2.541 -0.287 1.00 0.00 C ATOM 0 HA PRO A 80 9.472 -0.707 2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.736 -2.704 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.169 -2.834 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.744 -4.313 0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.131 -3.669 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.313 -2.682 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.589 -2.780 -1.044 1.00 0.00 H new ATOM 1287 N LYS A 81 11.198 0.817 2.891 1.00 0.00 N ATOM 1288 CA LYS A 81 12.212 1.762 3.346 1.00 0.00 C ATOM 1289 C LYS A 81 12.939 1.228 4.577 1.00 0.00 C ATOM 1290 O LYS A 81 12.310 0.856 5.568 1.00 0.00 O ATOM 1291 CB LYS A 81 11.575 3.116 3.664 1.00 0.00 C ATOM 1292 CG LYS A 81 12.590 4.212 3.950 1.00 0.00 C ATOM 1293 CD LYS A 81 12.174 5.534 3.324 1.00 0.00 C ATOM 1294 CE LYS A 81 12.664 6.716 4.145 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.303 8.017 3.515 1.00 0.00 N ATOM 0 H LYS A 81 10.258 1.005 3.240 1.00 0.00 H new ATOM 0 HA LYS A 81 12.938 1.891 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.950 3.421 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.918 3.006 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.699 4.337 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.565 3.916 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.574 5.601 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.088 5.573 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.235 6.666 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.746 6.655 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.655 8.798 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.733 8.076 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.269 8.086 3.430 1.00 0.00 H new