USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 82 LYS NZ :NH3+ 160:sc= -0.112 (180deg=-1.83) USER MOD Set 1.2: B 96 SER OG : rot 180:sc= -1.1 USER MOD Set 2.1: A 59 ASN :FLIP amide:sc= -0.174 F(o=-0.78,f=-0.17) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -144:sc= 0.429 (180deg=-0.791) USER MOD Set 3.2: A 24 GLN : amide:sc= 0.305 K(o=0.73,f=-2.4!) USER MOD Set 4.1: A 7 HIS : no HD1:sc= -2.07! C(o=-6.1!,f=-7.1!) USER MOD Set 4.2: A 55 TYR OH : rot -61:sc= -4.05! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.0074) USER MOD Single : A 11 THR OG1 : rot -37:sc= 0.603 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.071) USER MOD Single : A 20 HIS : no HE2:sc= 0.213 K(o=0.21,f=-1.7) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -110:sc= -1.28 (180deg=-4.43!) USER MOD Single : A 42 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 46 TYR OH : rot -40:sc= -3.21! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -159:sc= -0.104 (180deg=-0.479) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.099 X(o=-0.099,f=-0.00058) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 SER OG : rot -165:sc= 1.33 USER MOD Single : B 104 MET CE :methyl -154:sc= -0.514 (180deg=-2.15) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -18.940 -23.444 -7.767 1.00 0.00 N ATOM 51 CA LYS A 4 -18.114 -23.046 -8.898 1.00 0.00 C ATOM 52 C LYS A 4 -16.824 -23.851 -8.952 1.00 0.00 C ATOM 53 O LYS A 4 -16.379 -24.381 -7.934 1.00 0.00 O ATOM 54 CB LYS A 4 -17.739 -21.568 -8.779 1.00 0.00 C ATOM 55 CG LYS A 4 -18.878 -20.656 -8.335 1.00 0.00 C ATOM 56 CD LYS A 4 -18.369 -19.523 -7.455 1.00 0.00 C ATOM 57 CE LYS A 4 -18.696 -19.748 -5.988 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.100 -19.370 -5.664 1.00 0.00 N ATOM 0 HA LYS A 4 -18.695 -23.227 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.917 -21.472 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.370 -21.222 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.378 -20.242 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.621 -21.238 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.290 -19.428 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.810 -18.582 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.536 -20.797 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.012 -19.165 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.281 -19.539 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.247 -18.363 -5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.754 -19.944 -6.234 1.00 0.00 H new ATOM 72 N GLY A 5 -16.182 -23.878 -10.121 1.00 0.00 N ATOM 73 CA GLY A 5 -14.896 -24.548 -10.234 1.00 0.00 C ATOM 74 C GLY A 5 -13.867 -23.662 -9.572 1.00 0.00 C ATOM 75 O GLY A 5 -12.963 -23.127 -10.213 1.00 0.00 O ATOM 0 H GLY A 5 -16.526 -23.453 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.928 -25.525 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.641 -24.717 -11.280 1.00 0.00 H new ATOM 79 N TRP A 6 -14.098 -23.444 -8.287 1.00 0.00 N ATOM 80 CA TRP A 6 -13.309 -22.546 -7.469 1.00 0.00 C ATOM 81 C TRP A 6 -12.020 -23.148 -6.936 1.00 0.00 C ATOM 82 O TRP A 6 -10.925 -22.680 -7.239 1.00 0.00 O ATOM 83 CB TRP A 6 -14.183 -22.167 -6.280 1.00 0.00 C ATOM 84 CG TRP A 6 -14.326 -20.713 -6.075 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.483 -20.008 -6.007 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.268 -19.788 -5.902 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.205 -18.684 -5.779 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.843 -18.528 -5.715 1.00 0.00 C ATOM 89 CE3 TRP A 6 -11.888 -19.916 -5.883 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.074 -17.392 -5.507 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.117 -18.801 -5.681 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.709 -17.544 -5.490 1.00 0.00 C ATOM 0 H TRP A 6 -14.856 -23.897 -7.776 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.012 -21.702 -8.092 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.173 -22.603 -6.417 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -13.762 -22.610 -5.378 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.473 -20.426 -6.116 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.895 -17.940 -5.675 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.426 -20.882 -6.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.532 -16.424 -5.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.041 -18.891 -5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.081 -16.681 -5.327 1.00 0.00 H new ATOM 103 N HIS A 7 -12.172 -24.154 -6.102 1.00 0.00 N ATOM 104 CA HIS A 7 -11.032 -24.801 -5.462 1.00 0.00 C ATOM 105 C HIS A 7 -10.259 -25.699 -6.420 1.00 0.00 C ATOM 106 O HIS A 7 -9.163 -26.160 -6.101 1.00 0.00 O ATOM 107 CB HIS A 7 -11.508 -25.642 -4.284 1.00 0.00 C ATOM 108 CG HIS A 7 -12.365 -24.902 -3.304 1.00 0.00 C ATOM 109 ND1 HIS A 7 -13.702 -24.641 -3.520 1.00 0.00 N ATOM 110 CD2 HIS A 7 -12.073 -24.379 -2.090 1.00 0.00 C ATOM 111 CE1 HIS A 7 -14.195 -23.990 -2.482 1.00 0.00 C ATOM 112 NE2 HIS A 7 -13.227 -23.819 -1.600 1.00 0.00 N ATOM 0 H HIS A 7 -13.077 -24.548 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.365 -24.007 -5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.067 -26.496 -4.665 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.638 -26.039 -3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.112 -24.399 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.216 -23.655 -2.373 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.321 -23.347 -0.701 1.00 0.00 H new ATOM 121 N GLU A 8 -10.849 -25.977 -7.572 1.00 0.00 N ATOM 122 CA GLU A 8 -10.232 -26.863 -8.559 1.00 0.00 C ATOM 123 C GLU A 8 -8.744 -26.571 -8.740 1.00 0.00 C ATOM 124 O GLU A 8 -7.916 -27.476 -8.636 1.00 0.00 O ATOM 125 CB GLU A 8 -10.939 -26.727 -9.908 1.00 0.00 C ATOM 126 CG GLU A 8 -11.289 -25.294 -10.282 1.00 0.00 C ATOM 127 CD GLU A 8 -10.383 -24.737 -11.365 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.007 -25.505 -12.276 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.051 -23.536 -11.300 1.00 0.00 O ATOM 0 H GLU A 8 -11.756 -25.603 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.336 -27.881 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.301 -27.149 -10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.853 -27.320 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.324 -25.253 -10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.220 -24.664 -9.396 1.00 0.00 H new ATOM 136 N HIS A 9 -8.400 -25.319 -9.013 1.00 0.00 N ATOM 137 CA HIS A 9 -6.998 -24.955 -9.205 1.00 0.00 C ATOM 138 C HIS A 9 -6.555 -23.844 -8.259 1.00 0.00 C ATOM 139 O HIS A 9 -5.538 -23.192 -8.491 1.00 0.00 O ATOM 140 CB HIS A 9 -6.745 -24.547 -10.657 1.00 0.00 C ATOM 141 CG HIS A 9 -6.377 -25.694 -11.546 1.00 0.00 C ATOM 142 ND1 HIS A 9 -6.951 -25.902 -12.782 1.00 0.00 N ATOM 143 CD2 HIS A 9 -5.486 -26.699 -11.373 1.00 0.00 C ATOM 144 CE1 HIS A 9 -6.430 -26.986 -13.331 1.00 0.00 C ATOM 145 NE2 HIS A 9 -5.538 -27.487 -12.496 1.00 0.00 N ATOM 0 H HIS A 9 -9.060 -24.547 -9.106 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.402 -25.837 -8.971 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.640 -24.065 -11.051 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.946 -23.806 -10.684 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.852 -26.852 -10.512 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.690 -27.392 -14.297 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.978 -28.324 -12.659 1.00 0.00 H new ATOM 154 N VAL A 10 -7.300 -23.650 -7.180 1.00 0.00 N ATOM 155 CA VAL A 10 -6.950 -22.638 -6.191 1.00 0.00 C ATOM 156 C VAL A 10 -6.328 -23.305 -4.975 1.00 0.00 C ATOM 157 O VAL A 10 -5.200 -22.999 -4.594 1.00 0.00 O ATOM 158 CB VAL A 10 -8.170 -21.795 -5.762 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.784 -20.795 -4.682 1.00 0.00 C ATOM 160 CG2 VAL A 10 -8.760 -21.083 -6.968 1.00 0.00 C ATOM 0 H VAL A 10 -8.147 -24.177 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.232 -21.960 -6.652 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.925 -22.462 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.660 -20.212 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.403 -21.329 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.013 -20.126 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.620 -20.491 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.008 -20.427 -7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.075 -21.820 -7.707 1.00 0.00 H new ATOM 170 N THR A 11 -7.065 -24.242 -4.388 1.00 0.00 N ATOM 171 CA THR A 11 -6.587 -24.986 -3.229 1.00 0.00 C ATOM 172 C THR A 11 -6.133 -24.049 -2.108 1.00 0.00 C ATOM 173 O THR A 11 -5.926 -22.856 -2.323 1.00 0.00 O ATOM 174 CB THR A 11 -5.441 -25.919 -3.642 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.193 -25.258 -3.549 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.574 -26.456 -5.058 1.00 0.00 C ATOM 0 H THR A 11 -8.000 -24.505 -4.698 1.00 0.00 H new ATOM 0 HA THR A 11 -7.415 -25.582 -2.845 1.00 0.00 H new ATOM 0 HB THR A 11 -5.496 -26.758 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.295 -24.325 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.729 -27.108 -5.281 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.502 -27.021 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.587 -25.625 -5.763 1.00 0.00 H new ATOM 184 N GLN A 12 -5.992 -24.600 -0.908 1.00 0.00 N ATOM 185 CA GLN A 12 -5.574 -23.818 0.252 1.00 0.00 C ATOM 186 C GLN A 12 -4.082 -23.493 0.206 1.00 0.00 C ATOM 187 O GLN A 12 -3.680 -22.348 0.421 1.00 0.00 O ATOM 188 CB GLN A 12 -5.902 -24.571 1.544 1.00 0.00 C ATOM 189 CG GLN A 12 -5.193 -25.910 1.666 1.00 0.00 C ATOM 190 CD GLN A 12 -5.648 -26.703 2.875 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.724 -27.301 2.870 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.828 -26.712 3.920 1.00 0.00 N ATOM 0 H GLN A 12 -6.161 -25.587 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.124 -22.877 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.632 -23.948 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.979 -24.733 1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.372 -26.495 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.118 -25.743 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.946 -26.202 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.081 -27.229 4.762 1.00 0.00 H new ATOM 201 N ASP A 13 -3.264 -24.507 -0.058 1.00 0.00 N ATOM 202 CA ASP A 13 -1.814 -24.332 -0.110 1.00 0.00 C ATOM 203 C ASP A 13 -1.409 -23.241 -1.100 1.00 0.00 C ATOM 204 O ASP A 13 -0.721 -22.288 -0.736 1.00 0.00 O ATOM 205 CB ASP A 13 -1.137 -25.651 -0.489 1.00 0.00 C ATOM 206 CG ASP A 13 -1.123 -26.643 0.657 1.00 0.00 C ATOM 207 OD1 ASP A 13 -0.283 -26.486 1.567 1.00 0.00 O ATOM 208 OD2 ASP A 13 -1.952 -27.578 0.645 1.00 0.00 O ATOM 0 H ASP A 13 -3.579 -25.460 -0.240 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.486 -24.023 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.656 -26.091 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.113 -25.453 -0.807 1.00 0.00 H new ATOM 213 N LEU A 14 -1.832 -23.389 -2.351 1.00 0.00 N ATOM 214 CA LEU A 14 -1.502 -22.416 -3.385 1.00 0.00 C ATOM 215 C LEU A 14 -2.103 -21.050 -3.065 1.00 0.00 C ATOM 216 O LEU A 14 -1.553 -20.017 -3.444 1.00 0.00 O ATOM 217 CB LEU A 14 -1.994 -22.903 -4.750 1.00 0.00 C ATOM 218 CG LEU A 14 -1.820 -21.906 -5.898 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.516 -22.636 -7.198 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.066 -21.045 -6.047 1.00 0.00 C ATOM 0 H LEU A 14 -2.402 -24.171 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.417 -22.312 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.464 -23.821 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.051 -23.158 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.977 -21.255 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.396 -21.911 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.596 -23.210 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.338 -23.310 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.926 -20.341 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.925 -21.682 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.240 -20.494 -5.123 1.00 0.00 H new ATOM 232 N ARG A 15 -3.233 -21.053 -2.366 1.00 0.00 N ATOM 233 CA ARG A 15 -3.902 -19.810 -1.995 1.00 0.00 C ATOM 234 C ARG A 15 -3.044 -19.003 -1.028 1.00 0.00 C ATOM 235 O ARG A 15 -3.058 -17.772 -1.048 1.00 0.00 O ATOM 236 CB ARG A 15 -5.264 -20.107 -1.365 1.00 0.00 C ATOM 237 CG ARG A 15 -6.026 -18.859 -0.947 1.00 0.00 C ATOM 238 CD ARG A 15 -6.694 -19.039 0.407 1.00 0.00 C ATOM 239 NE ARG A 15 -7.742 -20.055 0.371 1.00 0.00 N ATOM 240 CZ ARG A 15 -8.355 -20.527 1.455 1.00 0.00 C ATOM 241 NH1 ARG A 15 -8.028 -20.077 2.659 1.00 0.00 N ATOM 242 NH2 ARG A 15 -9.298 -21.451 1.332 1.00 0.00 N ATOM 0 H ARG A 15 -3.704 -21.899 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.052 -19.221 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.869 -20.671 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.120 -20.744 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.342 -18.011 -0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.781 -18.624 -1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.944 -19.319 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.121 -18.089 0.729 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.021 -20.425 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.304 -19.366 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.501 -20.442 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.553 -21.799 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.768 -21.813 2.161 1.00 0.00 H new ATOM 256 N SER A 16 -2.296 -19.704 -0.181 1.00 0.00 N ATOM 257 CA SER A 16 -1.429 -19.053 0.795 1.00 0.00 C ATOM 258 C SER A 16 -0.405 -18.159 0.104 1.00 0.00 C ATOM 259 O SER A 16 0.008 -17.136 0.649 1.00 0.00 O ATOM 260 CB SER A 16 -0.716 -20.102 1.651 1.00 0.00 C ATOM 261 OG SER A 16 -0.740 -19.744 3.022 1.00 0.00 O ATOM 0 H SER A 16 -2.273 -20.723 -0.151 1.00 0.00 H new ATOM 0 HA SER A 16 -2.050 -18.429 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.195 -21.072 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.316 -20.207 1.318 1.00 0.00 H new ATOM 0 HG SER A 16 -0.280 -20.431 3.548 1.00 0.00 H new ATOM 267 N HIS A 17 0.000 -18.552 -1.099 1.00 0.00 N ATOM 268 CA HIS A 17 0.976 -17.786 -1.865 1.00 0.00 C ATOM 269 C HIS A 17 0.358 -16.497 -2.397 1.00 0.00 C ATOM 270 O HIS A 17 1.040 -15.483 -2.543 1.00 0.00 O ATOM 271 CB HIS A 17 1.517 -18.623 -3.026 1.00 0.00 C ATOM 272 CG HIS A 17 2.943 -18.322 -3.366 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.647 -19.007 -4.335 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.800 -17.403 -2.861 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.874 -18.523 -4.411 1.00 0.00 C ATOM 276 NE2 HIS A 17 4.992 -17.549 -3.526 1.00 0.00 N ATOM 0 H HIS A 17 -0.333 -19.396 -1.564 1.00 0.00 H new ATOM 0 HA HIS A 17 1.800 -17.526 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.427 -19.680 -2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.898 -18.451 -3.907 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.586 -16.688 -2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.648 -18.865 -5.082 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.833 -16.995 -3.363 1.00 0.00 H new ATOM 285 N LEU A 18 -0.939 -16.544 -2.687 1.00 0.00 N ATOM 286 CA LEU A 18 -1.650 -15.380 -3.202 1.00 0.00 C ATOM 287 C LEU A 18 -1.986 -14.406 -2.077 1.00 0.00 C ATOM 288 O LEU A 18 -2.045 -13.195 -2.289 1.00 0.00 O ATOM 289 CB LEU A 18 -2.931 -15.816 -3.918 1.00 0.00 C ATOM 290 CG LEU A 18 -2.779 -16.059 -5.421 1.00 0.00 C ATOM 291 CD1 LEU A 18 -3.605 -17.262 -5.854 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.186 -14.821 -6.205 1.00 0.00 C ATOM 0 H LEU A 18 -1.518 -17.376 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.999 -14.872 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.297 -16.731 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.694 -15.053 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.730 -16.269 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.484 -17.419 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.267 -18.148 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.656 -17.081 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.071 -15.012 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.227 -14.580 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.552 -13.983 -5.916 1.00 0.00 H new ATOM 304 N VAL A 19 -2.202 -14.943 -0.880 1.00 0.00 N ATOM 305 CA VAL A 19 -2.530 -14.120 0.279 1.00 0.00 C ATOM 306 C VAL A 19 -1.431 -13.097 0.554 1.00 0.00 C ATOM 307 O VAL A 19 -1.695 -12.013 1.073 1.00 0.00 O ATOM 308 CB VAL A 19 -2.746 -14.985 1.537 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.162 -14.121 2.719 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.782 -16.067 1.269 1.00 0.00 C ATOM 0 H VAL A 19 -2.156 -15.944 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.457 -13.596 0.047 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.802 -15.469 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.309 -14.751 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.383 -13.388 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.093 -13.605 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.922 -16.668 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.729 -15.604 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.439 -16.706 0.455 1.00 0.00 H new ATOM 320 N HIS A 20 -0.200 -13.449 0.200 1.00 0.00 N ATOM 321 CA HIS A 20 0.939 -12.561 0.408 1.00 0.00 C ATOM 322 C HIS A 20 0.901 -11.390 -0.568 1.00 0.00 C ATOM 323 O HIS A 20 1.410 -10.308 -0.274 1.00 0.00 O ATOM 324 CB HIS A 20 2.250 -13.332 0.245 1.00 0.00 C ATOM 325 CG HIS A 20 2.553 -14.248 1.391 1.00 0.00 C ATOM 326 ND1 HIS A 20 1.662 -15.192 1.855 1.00 0.00 N ATOM 327 CD2 HIS A 20 3.657 -14.361 2.167 1.00 0.00 C ATOM 328 CE1 HIS A 20 2.204 -15.846 2.868 1.00 0.00 C ATOM 329 NE2 HIS A 20 3.414 -15.361 3.076 1.00 0.00 N ATOM 0 H HIS A 20 0.035 -14.342 -0.232 1.00 0.00 H new ATOM 0 HA HIS A 20 0.880 -12.168 1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.207 -13.916 -0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.069 -12.621 0.133 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.730 -15.360 1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.560 -13.774 2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.737 -16.641 3.430 1.00 0.00 H new ATOM 338 N LYS A 21 0.294 -11.611 -1.731 1.00 0.00 N ATOM 339 CA LYS A 21 0.190 -10.572 -2.750 1.00 0.00 C ATOM 340 C LYS A 21 -0.514 -9.335 -2.198 1.00 0.00 C ATOM 341 O LYS A 21 -0.056 -8.209 -2.396 1.00 0.00 O ATOM 342 CB LYS A 21 -0.565 -11.100 -3.971 1.00 0.00 C ATOM 343 CG LYS A 21 -0.078 -10.515 -5.286 1.00 0.00 C ATOM 344 CD LYS A 21 0.920 -11.436 -5.970 1.00 0.00 C ATOM 345 CE LYS A 21 2.352 -10.996 -5.712 1.00 0.00 C ATOM 346 NZ LYS A 21 2.958 -11.721 -4.562 1.00 0.00 N ATOM 0 H LYS A 21 -0.133 -12.500 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 21 1.199 -10.290 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.467 -12.185 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.626 -10.879 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.928 -10.344 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.385 -9.545 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.781 -12.456 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.730 -11.448 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.951 -11.168 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.372 -9.924 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.584 -11.078 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.205 -12.062 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.509 -12.530 -4.913 1.00 0.00 H new ATOM 360 N LEU A 22 -1.626 -9.553 -1.504 1.00 0.00 N ATOM 361 CA LEU A 22 -2.390 -8.456 -0.922 1.00 0.00 C ATOM 362 C LEU A 22 -1.537 -7.665 0.064 1.00 0.00 C ATOM 363 O LEU A 22 -1.711 -6.456 0.222 1.00 0.00 O ATOM 364 CB LEU A 22 -3.639 -8.992 -0.218 1.00 0.00 C ATOM 365 CG LEU A 22 -4.851 -9.203 -1.125 1.00 0.00 C ATOM 366 CD1 LEU A 22 -4.831 -10.598 -1.729 1.00 0.00 C ATOM 367 CD2 LEU A 22 -6.141 -8.975 -0.350 1.00 0.00 C ATOM 0 H LEU A 22 -2.018 -10.479 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.695 -7.790 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.391 -9.941 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.915 -8.299 0.577 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.803 -8.478 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.702 -10.729 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.923 -10.726 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.854 -11.340 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.994 -9.129 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.195 -9.677 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.159 -7.955 0.034 1.00 0.00 H new ATOM 379 N VAL A 23 -0.614 -8.356 0.725 1.00 0.00 N ATOM 380 CA VAL A 23 0.269 -7.720 1.695 1.00 0.00 C ATOM 381 C VAL A 23 1.334 -6.880 0.999 1.00 0.00 C ATOM 382 O VAL A 23 1.806 -5.882 1.542 1.00 0.00 O ATOM 383 CB VAL A 23 0.958 -8.763 2.594 1.00 0.00 C ATOM 384 CG1 VAL A 23 1.746 -8.080 3.702 1.00 0.00 C ATOM 385 CG2 VAL A 23 -0.066 -9.727 3.173 1.00 0.00 C ATOM 0 H VAL A 23 -0.458 -9.357 0.606 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.352 -7.073 2.314 1.00 0.00 H new ATOM 0 HB VAL A 23 1.658 -9.335 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.225 -8.834 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.507 -7.435 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.071 -7.480 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.439 -10.457 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.792 -9.173 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.579 -10.243 2.362 1.00 0.00 H new ATOM 395 N GLN A 24 1.709 -7.291 -0.209 1.00 0.00 N ATOM 396 CA GLN A 24 2.720 -6.576 -0.981 1.00 0.00 C ATOM 397 C GLN A 24 2.181 -5.238 -1.480 1.00 0.00 C ATOM 398 O GLN A 24 2.944 -4.298 -1.705 1.00 0.00 O ATOM 399 CB GLN A 24 3.181 -7.426 -2.166 1.00 0.00 C ATOM 400 CG GLN A 24 4.631 -7.193 -2.554 1.00 0.00 C ATOM 401 CD GLN A 24 5.204 -8.327 -3.383 1.00 0.00 C ATOM 402 OE1 GLN A 24 4.616 -9.405 -3.469 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.356 -8.087 -3.998 1.00 0.00 N ATOM 0 H GLN A 24 1.328 -8.115 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 24 3.570 -6.383 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.044 -8.479 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.545 -7.212 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.707 -6.262 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.229 -7.070 -1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.808 -7.178 -3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.789 -8.812 -4.570 1.00 0.00 H new ATOM 412 N ALA A 25 0.866 -5.159 -1.652 1.00 0.00 N ATOM 413 CA ALA A 25 0.228 -3.935 -2.125 1.00 0.00 C ATOM 414 C ALA A 25 0.557 -2.756 -1.216 1.00 0.00 C ATOM 415 O ALA A 25 1.207 -1.799 -1.634 1.00 0.00 O ATOM 416 CB ALA A 25 -1.278 -4.127 -2.218 1.00 0.00 C ATOM 0 H ALA A 25 0.221 -5.928 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 25 0.618 -3.713 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.741 -3.206 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.499 -4.936 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.674 -4.377 -1.234 1.00 0.00 H new ATOM 422 N ILE A 26 0.104 -2.832 0.031 1.00 0.00 N ATOM 423 CA ILE A 26 0.350 -1.771 1.000 1.00 0.00 C ATOM 424 C ILE A 26 1.843 -1.616 1.273 1.00 0.00 C ATOM 425 O ILE A 26 2.319 -0.520 1.567 1.00 0.00 O ATOM 426 CB ILE A 26 -0.380 -2.041 2.329 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.859 -2.342 2.074 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.231 -0.854 3.269 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.414 -3.439 2.956 1.00 0.00 C ATOM 0 H ILE A 26 -0.436 -3.618 0.394 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.036 -0.849 0.566 1.00 0.00 H new ATOM 0 HB ILE A 26 0.073 -2.913 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.439 -1.432 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.989 -2.626 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.753 -1.062 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.826 -0.683 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.659 0.034 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.466 -3.598 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.860 -4.361 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.317 -3.149 4.002 1.00 0.00 H new ATOM 441 N PHE A 27 2.575 -2.720 1.173 1.00 0.00 N ATOM 442 CA PHE A 27 4.015 -2.707 1.409 1.00 0.00 C ATOM 443 C PHE A 27 4.741 -3.573 0.383 1.00 0.00 C ATOM 444 O PHE A 27 5.025 -4.743 0.637 1.00 0.00 O ATOM 445 CB PHE A 27 4.326 -3.201 2.823 1.00 0.00 C ATOM 446 CG PHE A 27 5.502 -2.510 3.455 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.667 -2.298 2.735 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.441 -2.076 4.769 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.749 -1.664 3.314 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.521 -1.441 5.354 1.00 0.00 C ATOM 451 CZ PHE A 27 7.676 -1.234 4.625 1.00 0.00 C ATOM 0 H PHE A 27 2.196 -3.635 0.930 1.00 0.00 H new ATOM 0 HA PHE A 27 4.366 -1.680 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.448 -3.054 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.519 -4.273 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.730 -2.632 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.540 -2.235 5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.651 -1.505 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.462 -1.107 6.379 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.520 -0.737 5.079 1.00 0.00 H new ATOM 461 N PRO A 28 5.054 -3.005 -0.795 1.00 0.00 N ATOM 462 CA PRO A 28 5.751 -3.731 -1.861 1.00 0.00 C ATOM 463 C PRO A 28 7.202 -4.034 -1.503 1.00 0.00 C ATOM 464 O PRO A 28 7.677 -5.154 -1.690 1.00 0.00 O ATOM 465 CB PRO A 28 5.683 -2.771 -3.050 1.00 0.00 C ATOM 466 CG PRO A 28 5.547 -1.420 -2.440 1.00 0.00 C ATOM 467 CD PRO A 28 4.752 -1.613 -1.178 1.00 0.00 C ATOM 0 HA PRO A 28 5.297 -4.703 -2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.580 -2.839 -3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.836 -3.001 -3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.525 -0.990 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.040 -0.734 -3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.052 -0.908 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.686 -1.465 -1.348 1.00 0.00 H new ATOM 475 N THR A 29 7.902 -3.029 -0.988 1.00 0.00 N ATOM 476 CA THR A 29 9.299 -3.188 -0.604 1.00 0.00 C ATOM 477 C THR A 29 9.421 -3.994 0.687 1.00 0.00 C ATOM 478 O THR A 29 8.546 -3.932 1.551 1.00 0.00 O ATOM 479 CB THR A 29 9.961 -1.820 -0.429 1.00 0.00 C ATOM 480 OG1 THR A 29 9.023 -0.865 0.035 1.00 0.00 O ATOM 481 CG2 THR A 29 10.571 -1.283 -1.706 1.00 0.00 C ATOM 0 H THR A 29 7.524 -2.095 -0.827 1.00 0.00 H new ATOM 0 HA THR A 29 9.808 -3.731 -1.400 1.00 0.00 H new ATOM 0 HB THR A 29 10.758 -1.975 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.466 0.003 0.142 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.024 -0.310 -1.512 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.335 -1.974 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.795 -1.177 -2.464 1.00 0.00 H new ATOM 489 N PRO A 30 10.513 -4.763 0.837 1.00 0.00 N ATOM 490 CA PRO A 30 10.743 -5.582 2.031 1.00 0.00 C ATOM 491 C PRO A 30 11.080 -4.739 3.255 1.00 0.00 C ATOM 492 O PRO A 30 11.717 -3.691 3.144 1.00 0.00 O ATOM 493 CB PRO A 30 11.938 -6.454 1.637 1.00 0.00 C ATOM 494 CG PRO A 30 12.662 -5.660 0.607 1.00 0.00 C ATOM 495 CD PRO A 30 11.607 -4.895 -0.145 1.00 0.00 C ATOM 0 HA PRO A 30 9.857 -6.151 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.576 -6.663 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.613 -7.415 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.380 -4.983 1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.224 -6.311 -0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.973 -3.922 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.283 -5.430 -1.038 1.00 0.00 H new ATOM 503 N ASP A 31 10.649 -5.203 4.423 1.00 0.00 N ATOM 504 CA ASP A 31 10.904 -4.492 5.670 1.00 0.00 C ATOM 505 C ASP A 31 10.934 -5.459 6.851 1.00 0.00 C ATOM 506 O ASP A 31 9.904 -5.719 7.474 1.00 0.00 O ATOM 507 CB ASP A 31 9.836 -3.422 5.899 1.00 0.00 C ATOM 508 CG ASP A 31 10.245 -2.412 6.954 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.124 -2.739 7.778 1.00 0.00 O ATOM 510 OD2 ASP A 31 9.684 -1.296 6.956 1.00 0.00 O ATOM 0 H ASP A 31 10.121 -6.069 4.532 1.00 0.00 H new ATOM 0 HA ASP A 31 11.879 -4.011 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.638 -2.903 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.905 -3.901 6.201 1.00 0.00 H new ATOM 515 N PRO A 32 12.117 -6.008 7.178 1.00 0.00 N ATOM 516 CA PRO A 32 12.267 -6.950 8.293 1.00 0.00 C ATOM 517 C PRO A 32 11.907 -6.317 9.632 1.00 0.00 C ATOM 518 O PRO A 32 11.508 -7.007 10.569 1.00 0.00 O ATOM 519 CB PRO A 32 13.753 -7.327 8.258 1.00 0.00 C ATOM 520 CG PRO A 32 14.414 -6.234 7.491 1.00 0.00 C ATOM 521 CD PRO A 32 13.398 -5.756 6.495 1.00 0.00 C ATOM 0 HA PRO A 32 11.601 -7.807 8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.163 -7.406 9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.903 -8.293 7.776 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.723 -5.425 8.152 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.312 -6.596 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.529 -4.700 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.468 -6.302 5.554 1.00 0.00 H new ATOM 529 N ALA A 33 12.048 -4.998 9.713 1.00 0.00 N ATOM 530 CA ALA A 33 11.735 -4.269 10.934 1.00 0.00 C ATOM 531 C ALA A 33 10.231 -4.047 11.070 1.00 0.00 C ATOM 532 O ALA A 33 9.714 -3.899 12.177 1.00 0.00 O ATOM 533 CB ALA A 33 12.471 -2.939 10.960 1.00 0.00 C ATOM 0 H ALA A 33 12.378 -4.412 8.946 1.00 0.00 H new ATOM 0 HA ALA A 33 12.066 -4.870 11.781 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.227 -2.406 11.879 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.546 -3.117 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.169 -2.339 10.101 1.00 0.00 H new ATOM 539 N ALA A 34 9.535 -4.023 9.937 1.00 0.00 N ATOM 540 CA ALA A 34 8.092 -3.818 9.933 1.00 0.00 C ATOM 541 C ALA A 34 7.372 -4.969 10.625 1.00 0.00 C ATOM 542 O ALA A 34 6.345 -4.769 11.276 1.00 0.00 O ATOM 543 CB ALA A 34 7.586 -3.658 8.507 1.00 0.00 C ATOM 0 H ALA A 34 9.947 -4.143 9.012 1.00 0.00 H new ATOM 0 HA ALA A 34 7.878 -2.904 10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.507 -3.506 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.069 -2.797 8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.819 -4.556 7.935 1.00 0.00 H new ATOM 549 N LEU A 35 7.916 -6.173 10.485 1.00 0.00 N ATOM 550 CA LEU A 35 7.325 -7.355 11.100 1.00 0.00 C ATOM 551 C LEU A 35 7.220 -7.182 12.613 1.00 0.00 C ATOM 552 O LEU A 35 6.305 -7.709 13.246 1.00 0.00 O ATOM 553 CB LEU A 35 8.155 -8.599 10.772 1.00 0.00 C ATOM 554 CG LEU A 35 8.589 -8.721 9.310 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.241 -10.073 9.060 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.400 -8.522 8.380 1.00 0.00 C ATOM 0 H LEU A 35 8.766 -6.356 9.951 1.00 0.00 H new ATOM 0 HA LEU A 35 6.321 -7.483 10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.045 -8.599 11.401 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.577 -9.484 11.038 1.00 0.00 H new ATOM 0 HG LEU A 35 9.321 -7.941 9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.544 -10.143 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.117 -10.178 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.530 -10.867 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.729 -8.612 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.644 -9.279 8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.974 -7.531 8.540 1.00 0.00 H new ATOM 568 N LYS A 36 8.161 -6.437 13.181 1.00 0.00 N ATOM 569 CA LYS A 36 8.173 -6.189 14.618 1.00 0.00 C ATOM 570 C LYS A 36 7.283 -5.001 14.971 1.00 0.00 C ATOM 571 O LYS A 36 6.802 -4.888 16.099 1.00 0.00 O ATOM 572 CB LYS A 36 9.603 -5.930 15.099 1.00 0.00 C ATOM 573 CG LYS A 36 10.557 -7.078 14.814 1.00 0.00 C ATOM 574 CD LYS A 36 11.956 -6.576 14.499 1.00 0.00 C ATOM 575 CE LYS A 36 12.670 -6.096 15.751 1.00 0.00 C ATOM 576 NZ LYS A 36 13.540 -7.154 16.335 1.00 0.00 N ATOM 0 H LYS A 36 8.925 -5.995 12.670 1.00 0.00 H new ATOM 0 HA LYS A 36 7.783 -7.075 15.119 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.981 -5.027 14.620 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.588 -5.739 16.172 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.594 -7.744 15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.182 -7.664 13.975 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.534 -7.374 14.033 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.897 -5.761 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.274 -5.221 15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.934 -5.782 16.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.009 -6.786 17.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.960 -7.980 16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.259 -7.436 15.638 1.00 0.00 H new ATOM 590 N ASP A 37 7.066 -4.115 14.001 1.00 0.00 N ATOM 591 CA ASP A 37 6.232 -2.938 14.215 1.00 0.00 C ATOM 592 C ASP A 37 4.798 -3.340 14.543 1.00 0.00 C ATOM 593 O ASP A 37 4.288 -4.334 14.027 1.00 0.00 O ATOM 594 CB ASP A 37 6.253 -2.042 12.976 1.00 0.00 C ATOM 595 CG ASP A 37 5.882 -0.607 13.294 1.00 0.00 C ATOM 596 OD1 ASP A 37 6.589 0.023 14.107 1.00 0.00 O ATOM 597 OD2 ASP A 37 4.883 -0.113 12.730 1.00 0.00 O ATOM 0 H ASP A 37 7.456 -4.191 13.062 1.00 0.00 H new ATOM 0 HA ASP A 37 6.637 -2.384 15.062 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.247 -2.067 12.530 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.560 -2.437 12.233 1.00 0.00 H new ATOM 602 N ARG A 38 4.154 -2.560 15.405 1.00 0.00 N ATOM 603 CA ARG A 38 2.777 -2.835 15.802 1.00 0.00 C ATOM 604 C ARG A 38 1.812 -2.560 14.654 1.00 0.00 C ATOM 605 O ARG A 38 0.763 -3.195 14.546 1.00 0.00 O ATOM 606 CB ARG A 38 2.397 -1.987 17.017 1.00 0.00 C ATOM 607 CG ARG A 38 2.886 -2.559 18.338 1.00 0.00 C ATOM 608 CD ARG A 38 4.372 -2.308 18.537 1.00 0.00 C ATOM 609 NE ARG A 38 5.179 -3.469 18.170 1.00 0.00 N ATOM 610 CZ ARG A 38 5.340 -4.536 18.950 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.752 -4.592 20.140 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.090 -5.550 18.541 1.00 0.00 N ATOM 0 H ARG A 38 4.562 -1.734 15.842 1.00 0.00 H new ATOM 0 HA ARG A 38 2.706 -3.890 16.066 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.806 -0.984 16.892 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.312 -1.886 17.054 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.327 -2.111 19.159 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.690 -3.631 18.367 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.678 -1.450 17.938 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.560 -2.052 19.580 1.00 0.00 H new ATOM 0 HE ARG A 38 5.646 -3.462 17.263 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.174 -3.815 20.460 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.879 -5.412 20.733 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.544 -5.513 17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.213 -6.367 19.139 1.00 0.00 H new ATOM 626 N ARG A 39 2.174 -1.610 13.797 1.00 0.00 N ATOM 627 CA ARG A 39 1.339 -1.251 12.656 1.00 0.00 C ATOM 628 C ARG A 39 1.114 -2.453 11.744 1.00 0.00 C ATOM 629 O ARG A 39 0.021 -2.645 11.213 1.00 0.00 O ATOM 630 CB ARG A 39 1.981 -0.109 11.866 1.00 0.00 C ATOM 631 CG ARG A 39 1.146 0.356 10.683 1.00 0.00 C ATOM 632 CD ARG A 39 1.930 0.289 9.381 1.00 0.00 C ATOM 633 NE ARG A 39 2.503 -1.036 9.155 1.00 0.00 N ATOM 634 CZ ARG A 39 2.889 -1.485 7.962 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.768 -0.719 6.886 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.398 -2.704 7.848 1.00 0.00 N ATOM 0 H ARG A 39 3.039 -1.075 13.871 1.00 0.00 H new ATOM 0 HA ARG A 39 0.372 -0.922 13.036 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.150 0.735 12.535 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.958 -0.431 11.506 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.253 -0.263 10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.811 1.379 10.854 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.274 0.547 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.728 1.031 9.400 1.00 0.00 H new ATOM 0 HE ARG A 39 2.614 -1.654 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.378 0.220 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.065 -1.069 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.493 -3.296 8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.694 -3.050 6.935 1.00 0.00 H new ATOM 650 N MET A 40 2.157 -3.259 11.566 1.00 0.00 N ATOM 651 CA MET A 40 2.074 -4.442 10.718 1.00 0.00 C ATOM 652 C MET A 40 0.962 -5.375 11.189 1.00 0.00 C ATOM 653 O MET A 40 0.359 -6.090 10.389 1.00 0.00 O ATOM 654 CB MET A 40 3.410 -5.186 10.711 1.00 0.00 C ATOM 655 CG MET A 40 3.564 -6.151 9.544 1.00 0.00 C ATOM 656 SD MET A 40 4.794 -5.604 8.343 1.00 0.00 S ATOM 657 CE MET A 40 3.978 -6.028 6.807 1.00 0.00 C ATOM 0 H MET A 40 3.069 -3.114 11.998 1.00 0.00 H new ATOM 0 HA MET A 40 1.843 -4.114 9.704 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.221 -4.459 10.680 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.513 -5.739 11.645 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.846 -7.133 9.925 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.602 -6.267 9.045 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.498 -6.863 6.337 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.945 -6.311 7.010 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.994 -5.168 6.137 1.00 0.00 H new ATOM 667 N GLU A 41 0.695 -5.362 12.491 1.00 0.00 N ATOM 668 CA GLU A 41 -0.347 -6.204 13.064 1.00 0.00 C ATOM 669 C GLU A 41 -1.694 -5.924 12.404 1.00 0.00 C ATOM 670 O GLU A 41 -2.523 -6.822 12.253 1.00 0.00 O ATOM 671 CB GLU A 41 -0.447 -5.974 14.574 1.00 0.00 C ATOM 672 CG GLU A 41 -0.780 -7.232 15.360 1.00 0.00 C ATOM 673 CD GLU A 41 -0.873 -6.979 16.852 1.00 0.00 C ATOM 674 OE1 GLU A 41 -1.730 -6.168 17.264 1.00 0.00 O ATOM 675 OE2 GLU A 41 -0.090 -7.589 17.609 1.00 0.00 O ATOM 0 H GLU A 41 1.186 -4.778 13.168 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.081 -7.245 12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.499 -5.570 14.935 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.211 -5.221 14.769 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.727 -7.638 15.004 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.017 -7.987 15.170 1.00 0.00 H new ATOM 682 N ASN A 42 -1.901 -4.672 12.009 1.00 0.00 N ATOM 683 CA ASN A 42 -3.142 -4.269 11.361 1.00 0.00 C ATOM 684 C ASN A 42 -3.132 -4.656 9.886 1.00 0.00 C ATOM 685 O ASN A 42 -4.177 -4.942 9.300 1.00 0.00 O ATOM 686 CB ASN A 42 -3.353 -2.762 11.504 1.00 0.00 C ATOM 687 CG ASN A 42 -4.796 -2.355 11.280 1.00 0.00 C ATOM 688 OD1 ASN A 42 -5.711 -2.914 11.886 1.00 0.00 O ATOM 689 ND2 ASN A 42 -5.008 -1.377 10.408 1.00 0.00 N ATOM 0 H ASN A 42 -1.224 -3.919 12.127 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.965 -4.789 11.851 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.040 -2.447 12.500 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.716 -2.240 10.790 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.959 -1.061 10.218 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.220 -0.942 9.928 1.00 0.00 H new ATOM 696 N LEU A 43 -1.943 -4.663 9.288 1.00 0.00 N ATOM 697 CA LEU A 43 -1.797 -5.015 7.881 1.00 0.00 C ATOM 698 C LEU A 43 -2.304 -6.429 7.618 1.00 0.00 C ATOM 699 O LEU A 43 -3.051 -6.665 6.669 1.00 0.00 O ATOM 700 CB LEU A 43 -0.332 -4.892 7.454 1.00 0.00 C ATOM 701 CG LEU A 43 -0.100 -4.105 6.163 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.386 -3.861 5.947 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.699 -4.843 4.976 1.00 0.00 C ATOM 0 H LEU A 43 -1.068 -4.429 9.757 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.398 -4.322 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.227 -4.414 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.080 -5.893 7.331 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.596 -3.139 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.532 -3.300 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.787 -3.291 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.905 -4.817 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.525 -4.269 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.231 -5.823 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.771 -4.966 5.128 1.00 0.00 H new ATOM 715 N VAL A 44 -1.892 -7.367 8.465 1.00 0.00 N ATOM 716 CA VAL A 44 -2.303 -8.757 8.325 1.00 0.00 C ATOM 717 C VAL A 44 -3.820 -8.891 8.409 1.00 0.00 C ATOM 718 O VAL A 44 -4.463 -9.377 7.478 1.00 0.00 O ATOM 719 CB VAL A 44 -1.661 -9.645 9.408 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.957 -11.112 9.142 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.161 -9.399 9.477 1.00 0.00 C ATOM 0 H VAL A 44 -1.273 -7.188 9.256 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.964 -9.090 7.344 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.095 -9.382 10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.495 -11.723 9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.035 -11.272 9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.553 -11.394 8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.277 -10.034 10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.291 -9.633 8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.025 -8.353 9.720 1.00 0.00 H new ATOM 731 N ALA A 45 -4.386 -8.456 9.531 1.00 0.00 N ATOM 732 CA ALA A 45 -5.828 -8.525 9.737 1.00 0.00 C ATOM 733 C ALA A 45 -6.577 -7.786 8.633 1.00 0.00 C ATOM 734 O ALA A 45 -7.677 -8.178 8.244 1.00 0.00 O ATOM 735 CB ALA A 45 -6.194 -7.955 11.099 1.00 0.00 C ATOM 0 H ALA A 45 -3.868 -8.052 10.311 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.125 -9.573 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.273 -8.013 11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.695 -8.529 11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.876 -6.914 11.155 1.00 0.00 H new ATOM 741 N TYR A 46 -5.972 -6.713 8.131 1.00 0.00 N ATOM 742 CA TYR A 46 -6.581 -5.920 7.070 1.00 0.00 C ATOM 743 C TYR A 46 -6.612 -6.701 5.760 1.00 0.00 C ATOM 744 O TYR A 46 -7.673 -6.895 5.167 1.00 0.00 O ATOM 745 CB TYR A 46 -5.812 -4.611 6.879 1.00 0.00 C ATOM 746 CG TYR A 46 -6.389 -3.719 5.803 1.00 0.00 C ATOM 747 CD1 TYR A 46 -6.187 -4.003 4.458 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.137 -2.595 6.132 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.712 -3.190 3.471 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.666 -1.778 5.150 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.451 -2.080 3.822 1.00 0.00 C ATOM 752 OH TYR A 46 -7.975 -1.269 2.842 1.00 0.00 O ATOM 0 H TYR A 46 -5.062 -6.374 8.442 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.606 -5.692 7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.800 -4.066 7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.776 -4.841 6.631 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.611 -4.873 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.308 -2.356 7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.544 -3.423 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.245 -0.908 5.422 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.321 -1.165 2.119 1.00 0.00 H new ATOM 762 N ALA A 47 -5.442 -7.147 5.315 1.00 0.00 N ATOM 763 CA ALA A 47 -5.335 -7.908 4.077 1.00 0.00 C ATOM 764 C ALA A 47 -6.140 -9.200 4.159 1.00 0.00 C ATOM 765 O ALA A 47 -6.689 -9.666 3.161 1.00 0.00 O ATOM 766 CB ALA A 47 -3.877 -8.210 3.768 1.00 0.00 C ATOM 0 H ALA A 47 -4.555 -6.994 5.794 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.747 -7.304 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.812 -8.779 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.327 -7.275 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.446 -8.793 4.582 1.00 0.00 H new ATOM 772 N LYS A 48 -6.204 -9.775 5.355 1.00 0.00 N ATOM 773 CA LYS A 48 -6.943 -11.015 5.569 1.00 0.00 C ATOM 774 C LYS A 48 -8.419 -10.834 5.233 1.00 0.00 C ATOM 775 O LYS A 48 -9.087 -11.773 4.800 1.00 0.00 O ATOM 776 CB LYS A 48 -6.791 -11.480 7.019 1.00 0.00 C ATOM 777 CG LYS A 48 -5.605 -12.403 7.241 1.00 0.00 C ATOM 778 CD LYS A 48 -5.341 -12.625 8.721 1.00 0.00 C ATOM 779 CE LYS A 48 -6.426 -13.479 9.359 1.00 0.00 C ATOM 780 NZ LYS A 48 -6.235 -14.927 9.071 1.00 0.00 N ATOM 0 H LYS A 48 -5.753 -9.403 6.191 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.529 -11.774 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.686 -10.607 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.703 -11.994 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.793 -13.361 6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.718 -11.977 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.373 -13.109 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.287 -11.663 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.425 -13.320 10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.401 -13.161 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.995 -15.474 9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.261 -15.083 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.315 -15.237 9.445 1.00 0.00 H new ATOM 794 N LYS A 49 -8.922 -9.621 5.434 1.00 0.00 N ATOM 795 CA LYS A 49 -10.320 -9.316 5.152 1.00 0.00 C ATOM 796 C LYS A 49 -10.560 -9.197 3.651 1.00 0.00 C ATOM 797 O LYS A 49 -11.561 -9.692 3.131 1.00 0.00 O ATOM 798 CB LYS A 49 -10.732 -8.019 5.850 1.00 0.00 C ATOM 799 CG LYS A 49 -12.233 -7.882 6.045 1.00 0.00 C ATOM 800 CD LYS A 49 -12.880 -7.140 4.888 1.00 0.00 C ATOM 801 CE LYS A 49 -12.672 -5.638 5.002 1.00 0.00 C ATOM 802 NZ LYS A 49 -13.648 -4.877 4.174 1.00 0.00 N ATOM 0 H LYS A 49 -8.382 -8.833 5.791 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.928 -10.136 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.242 -7.968 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.371 -7.172 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.680 -8.871 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.433 -7.352 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.461 -7.496 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.947 -7.360 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.768 -5.336 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.658 -5.387 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.472 -3.857 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.539 -5.145 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.615 -5.096 4.488 1.00 0.00 H new ATOM 816 N VAL A 50 -9.636 -8.539 2.958 1.00 0.00 N ATOM 817 CA VAL A 50 -9.749 -8.356 1.517 1.00 0.00 C ATOM 818 C VAL A 50 -9.527 -9.670 0.778 1.00 0.00 C ATOM 819 O VAL A 50 -10.359 -10.085 -0.027 1.00 0.00 O ATOM 820 CB VAL A 50 -8.744 -7.309 1.000 1.00 0.00 C ATOM 821 CG1 VAL A 50 -8.998 -7.000 -0.467 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.816 -6.042 1.840 1.00 0.00 C ATOM 0 H VAL A 50 -8.801 -8.124 3.372 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.761 -8.000 1.322 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.739 -7.722 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.278 -6.259 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.891 -7.912 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.008 -6.608 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.100 -5.313 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.822 -5.625 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.578 -6.279 2.877 1.00 0.00 H new ATOM 832 N GLU A 51 -8.405 -10.330 1.060 1.00 0.00 N ATOM 833 CA GLU A 51 -8.094 -11.604 0.420 1.00 0.00 C ATOM 834 C GLU A 51 -9.286 -12.547 0.523 1.00 0.00 C ATOM 835 O GLU A 51 -9.696 -13.157 -0.465 1.00 0.00 O ATOM 836 CB GLU A 51 -6.858 -12.242 1.059 1.00 0.00 C ATOM 837 CG GLU A 51 -6.985 -12.445 2.561 1.00 0.00 C ATOM 838 CD GLU A 51 -7.550 -13.805 2.921 1.00 0.00 C ATOM 839 OE1 GLU A 51 -8.064 -14.496 2.016 1.00 0.00 O ATOM 840 OE2 GLU A 51 -7.481 -14.179 4.111 1.00 0.00 O ATOM 0 H GLU A 51 -7.701 -10.005 1.723 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.880 -11.419 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.671 -13.206 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.990 -11.614 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.005 -12.329 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.627 -11.668 2.976 1.00 0.00 H new ATOM 847 N GLY A 52 -9.857 -12.637 1.720 1.00 0.00 N ATOM 848 CA GLY A 52 -11.019 -13.480 1.915 1.00 0.00 C ATOM 849 C GLY A 52 -12.177 -13.009 1.063 1.00 0.00 C ATOM 850 O GLY A 52 -13.010 -13.805 0.629 1.00 0.00 O ATOM 0 H GLY A 52 -9.537 -12.144 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.772 -14.511 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.308 -13.470 2.966 1.00 0.00 H new ATOM 854 N ASP A 53 -12.210 -11.703 0.807 1.00 0.00 N ATOM 855 CA ASP A 53 -13.250 -11.104 -0.014 1.00 0.00 C ATOM 856 C ASP A 53 -12.989 -11.398 -1.487 1.00 0.00 C ATOM 857 O ASP A 53 -13.918 -11.492 -2.290 1.00 0.00 O ATOM 858 CB ASP A 53 -13.307 -9.592 0.215 1.00 0.00 C ATOM 859 CG ASP A 53 -14.486 -8.946 -0.485 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.380 -8.676 -1.700 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.515 -8.708 0.182 1.00 0.00 O ATOM 0 H ASP A 53 -11.522 -11.039 1.161 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.209 -11.537 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.368 -9.391 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.383 -9.138 -0.142 1.00 0.00 H new ATOM 866 N MET A 54 -11.712 -11.548 -1.833 1.00 0.00 N ATOM 867 CA MET A 54 -11.318 -11.837 -3.205 1.00 0.00 C ATOM 868 C MET A 54 -11.816 -13.215 -3.630 1.00 0.00 C ATOM 869 O MET A 54 -12.126 -13.441 -4.800 1.00 0.00 O ATOM 870 CB MET A 54 -9.796 -11.766 -3.347 1.00 0.00 C ATOM 871 CG MET A 54 -9.289 -10.402 -3.791 1.00 0.00 C ATOM 872 SD MET A 54 -9.858 -9.066 -2.724 1.00 0.00 S ATOM 873 CE MET A 54 -11.072 -8.281 -3.781 1.00 0.00 C ATOM 0 H MET A 54 -10.933 -11.473 -1.179 1.00 0.00 H new ATOM 0 HA MET A 54 -11.771 -11.088 -3.854 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.338 -12.021 -2.391 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.471 -12.517 -4.067 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.199 -10.411 -3.805 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.619 -10.211 -4.812 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.240 -7.258 -3.445 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.707 -8.270 -4.808 1.00 0.00 H new ATOM 0 HE3 MET A 54 -12.009 -8.837 -3.734 1.00 0.00 H new ATOM 883 N TYR A 55 -11.893 -14.130 -2.669 1.00 0.00 N ATOM 884 CA TYR A 55 -12.356 -15.488 -2.937 1.00 0.00 C ATOM 885 C TYR A 55 -13.880 -15.537 -3.044 1.00 0.00 C ATOM 886 O TYR A 55 -14.445 -16.445 -3.645 1.00 0.00 O ATOM 887 CB TYR A 55 -11.868 -16.446 -1.847 1.00 0.00 C ATOM 888 CG TYR A 55 -12.047 -17.907 -2.199 1.00 0.00 C ATOM 889 CD1 TYR A 55 -13.282 -18.524 -2.056 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.983 -18.667 -2.677 1.00 0.00 C ATOM 891 CE1 TYR A 55 -13.455 -19.856 -2.378 1.00 0.00 C ATOM 892 CE2 TYR A 55 -11.149 -20.002 -3.001 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.386 -20.590 -2.850 1.00 0.00 C ATOM 894 OH TYR A 55 -12.557 -21.915 -3.174 1.00 0.00 O ATOM 0 H TYR A 55 -11.640 -13.956 -1.696 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.938 -15.804 -3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.813 -16.255 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.406 -16.235 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -14.121 -17.953 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.013 -18.208 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.423 -20.321 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.314 -20.579 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.843 -22.412 -2.379 1.00 0.00 H new ATOM 904 N GLU A 56 -14.545 -14.568 -2.443 1.00 0.00 N ATOM 905 CA GLU A 56 -15.998 -14.518 -2.479 1.00 0.00 C ATOM 906 C GLU A 56 -16.498 -13.714 -3.675 1.00 0.00 C ATOM 907 O GLU A 56 -17.609 -13.931 -4.159 1.00 0.00 O ATOM 908 CB GLU A 56 -16.518 -13.955 -1.167 1.00 0.00 C ATOM 909 CG GLU A 56 -15.896 -14.656 0.027 1.00 0.00 C ATOM 910 CD GLU A 56 -16.928 -15.155 1.020 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.283 -14.389 1.941 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.381 -16.309 0.876 1.00 0.00 O ATOM 0 H GLU A 56 -14.106 -13.807 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.384 -15.530 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.301 -12.888 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.602 -14.062 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.298 -15.498 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.216 -13.970 0.531 1.00 0.00 H new ATOM 919 N SER A 57 -15.666 -12.794 -4.156 1.00 0.00 N ATOM 920 CA SER A 57 -16.022 -11.972 -5.307 1.00 0.00 C ATOM 921 C SER A 57 -15.835 -12.764 -6.596 1.00 0.00 C ATOM 922 O SER A 57 -16.601 -12.616 -7.548 1.00 0.00 O ATOM 923 CB SER A 57 -15.172 -10.701 -5.338 1.00 0.00 C ATOM 924 OG SER A 57 -15.826 -9.633 -4.676 1.00 0.00 O ATOM 0 H SER A 57 -14.743 -12.600 -3.767 1.00 0.00 H new ATOM 0 HA SER A 57 -17.070 -11.686 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.210 -10.892 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.968 -10.422 -6.372 1.00 0.00 H new ATOM 0 HG SER A 57 -15.261 -8.833 -4.709 1.00 0.00 H new ATOM 930 N ALA A 58 -14.817 -13.619 -6.607 1.00 0.00 N ATOM 931 CA ALA A 58 -14.523 -14.458 -7.759 1.00 0.00 C ATOM 932 C ALA A 58 -15.316 -15.735 -7.706 1.00 0.00 C ATOM 933 O ALA A 58 -15.269 -16.463 -6.721 1.00 0.00 O ATOM 934 CB ALA A 58 -13.041 -14.792 -7.821 1.00 0.00 C ATOM 0 H ALA A 58 -14.178 -13.748 -5.823 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.802 -13.899 -8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.846 -15.420 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.464 -13.871 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.750 -15.325 -6.916 1.00 0.00 H new ATOM 940 N ASN A 59 -16.002 -16.033 -8.788 1.00 0.00 N ATOM 941 CA ASN A 59 -16.743 -17.271 -8.868 1.00 0.00 C ATOM 942 C ASN A 59 -15.892 -18.278 -9.619 1.00 0.00 C ATOM 943 O ASN A 59 -16.323 -19.391 -9.909 1.00 0.00 O ATOM 944 CB ASN A 59 -18.095 -17.095 -9.562 1.00 0.00 C ATOM 945 CG ASN A 59 -17.959 -16.536 -10.964 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.564 -17.385 -11.905 1.00 0.00 O flip ATOM 947 ND2 ASN A 59 -18.209 -15.353 -11.200 1.00 0.00 N flip ATOM 0 H ASN A 59 -16.062 -15.441 -9.617 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.958 -17.619 -7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.605 -18.057 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.721 -16.429 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.510 -14.735 -10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.115 -14.991 -12.149 1.00 0.00 H new ATOM 954 N SER A 60 -14.664 -17.859 -9.933 1.00 0.00 N ATOM 955 CA SER A 60 -13.728 -18.712 -10.654 1.00 0.00 C ATOM 956 C SER A 60 -12.290 -18.346 -10.310 1.00 0.00 C ATOM 957 O SER A 60 -12.011 -17.228 -9.878 1.00 0.00 O ATOM 958 CB SER A 60 -13.952 -18.588 -12.163 1.00 0.00 C ATOM 959 OG SER A 60 -14.205 -17.244 -12.533 1.00 0.00 O ATOM 0 H SER A 60 -14.299 -16.936 -9.698 1.00 0.00 H new ATOM 0 HA SER A 60 -13.905 -19.744 -10.352 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.075 -18.956 -12.695 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.792 -19.215 -12.462 1.00 0.00 H new ATOM 0 HG SER A 60 -14.343 -17.192 -13.502 1.00 0.00 H new ATOM 965 N ARG A 61 -11.379 -19.294 -10.503 1.00 0.00 N ATOM 966 CA ARG A 61 -9.971 -19.065 -10.210 1.00 0.00 C ATOM 967 C ARG A 61 -9.436 -17.882 -11.013 1.00 0.00 C ATOM 968 O ARG A 61 -8.822 -16.969 -10.460 1.00 0.00 O ATOM 969 CB ARG A 61 -9.151 -20.318 -10.522 1.00 0.00 C ATOM 970 CG ARG A 61 -7.651 -20.117 -10.366 1.00 0.00 C ATOM 971 CD ARG A 61 -6.955 -21.409 -9.977 1.00 0.00 C ATOM 972 NE ARG A 61 -5.607 -21.493 -10.532 1.00 0.00 N ATOM 973 CZ ARG A 61 -4.542 -20.906 -9.990 1.00 0.00 C ATOM 974 NH1 ARG A 61 -4.664 -20.187 -8.880 1.00 0.00 N ATOM 975 NH2 ARG A 61 -3.352 -21.036 -10.558 1.00 0.00 N ATOM 0 H ARG A 61 -11.591 -20.226 -10.860 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.879 -18.835 -9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.472 -21.125 -9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.363 -20.636 -11.543 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.233 -19.745 -11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.461 -19.357 -9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.905 -21.481 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.544 -22.257 -10.326 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.473 -22.034 -11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.577 -20.082 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.844 -19.740 -8.469 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.251 -21.586 -11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.537 -20.586 -10.142 1.00 0.00 H new ATOM 989 N ASP A 62 -9.674 -17.906 -12.322 1.00 0.00 N ATOM 990 CA ASP A 62 -9.218 -16.837 -13.206 1.00 0.00 C ATOM 991 C ASP A 62 -9.617 -15.470 -12.661 1.00 0.00 C ATOM 992 O ASP A 62 -8.792 -14.560 -12.575 1.00 0.00 O ATOM 993 CB ASP A 62 -9.795 -17.027 -14.610 1.00 0.00 C ATOM 994 CG ASP A 62 -9.011 -18.036 -15.427 1.00 0.00 C ATOM 995 OD1 ASP A 62 -7.813 -18.233 -15.135 1.00 0.00 O ATOM 996 OD2 ASP A 62 -9.595 -18.630 -16.358 1.00 0.00 O ATOM 0 H ASP A 62 -10.181 -18.655 -12.794 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.130 -16.883 -13.258 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.832 -17.354 -14.532 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.801 -16.069 -15.130 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.884 -15.335 -12.290 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.389 -14.080 -11.746 1.00 0.00 C ATOM 1003 C GLU A 63 -10.703 -13.755 -10.425 1.00 0.00 C ATOM 1004 O GLU A 63 -10.419 -12.595 -10.130 1.00 0.00 O ATOM 1005 CB GLU A 63 -12.903 -14.159 -11.544 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.520 -12.857 -11.058 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.879 -12.591 -11.676 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -14.930 -12.261 -12.880 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -15.893 -12.712 -10.955 1.00 0.00 O ATOM 0 H GLU A 63 -11.580 -16.078 -12.356 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.169 -13.285 -12.458 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.372 -14.445 -12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.125 -14.947 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.618 -12.888 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.849 -12.031 -11.294 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.435 -14.791 -9.635 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.776 -14.622 -8.344 1.00 0.00 C ATOM 1018 C TYR A 64 -8.388 -14.014 -8.519 1.00 0.00 C ATOM 1019 O TYR A 64 -7.976 -13.148 -7.747 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.675 -15.970 -7.625 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.913 -15.913 -6.319 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.249 -14.992 -5.334 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.859 -16.783 -6.072 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.554 -14.941 -4.140 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.159 -16.738 -4.881 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.511 -15.815 -3.919 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.818 -15.768 -2.730 1.00 0.00 O ATOM 0 H TYR A 64 -10.664 -15.757 -9.867 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.374 -13.940 -7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.681 -16.344 -7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.190 -16.688 -8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.065 -14.306 -5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.582 -17.507 -6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.827 -14.220 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.342 -17.421 -4.705 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.115 -16.451 -2.734 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.671 -14.476 -9.539 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.328 -13.981 -9.816 1.00 0.00 C ATOM 1039 C TYR A 65 -6.377 -12.619 -10.505 1.00 0.00 C ATOM 1040 O TYR A 65 -5.465 -11.806 -10.360 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.565 -14.983 -10.687 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.269 -15.458 -10.068 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.291 -14.554 -9.676 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.025 -16.813 -9.878 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.105 -14.985 -9.112 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.842 -17.252 -9.313 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.886 -16.334 -8.932 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.707 -16.767 -8.371 1.00 0.00 O ATOM 0 H TYR A 65 -7.998 -15.192 -10.187 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.807 -13.864 -8.866 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.204 -15.845 -10.879 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.350 -14.524 -11.652 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.460 -13.496 -9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.771 -17.534 -10.176 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.354 -14.269 -8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.667 -18.308 -9.171 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.712 -17.745 -8.314 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.445 -12.380 -11.259 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.610 -11.119 -11.973 1.00 0.00 C ATOM 1060 C HIS A 66 -8.134 -10.027 -11.046 1.00 0.00 C ATOM 1061 O HIS A 66 -7.512 -8.975 -10.897 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.564 -11.300 -13.156 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.946 -12.015 -14.317 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -8.680 -12.749 -15.226 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -6.657 -12.104 -14.720 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -7.868 -13.260 -16.134 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -6.636 -12.883 -15.851 1.00 0.00 N ATOM 0 H HIS A 66 -8.209 -13.043 -11.391 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.632 -10.813 -12.345 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.442 -11.854 -12.823 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.911 -10.321 -13.486 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.803 -11.647 -14.241 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.163 -13.881 -16.967 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.803 -13.130 -16.385 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.283 -10.281 -10.428 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.892 -9.317 -9.518 1.00 0.00 C ATOM 1078 C LEU A 67 -8.935 -8.953 -8.383 1.00 0.00 C ATOM 1079 O LEU A 67 -9.005 -7.857 -7.827 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.219 -9.871 -8.969 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.219 -10.289 -7.493 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -12.621 -10.684 -7.055 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -10.241 -11.432 -7.254 1.00 0.00 C ATOM 0 H LEU A 67 -9.811 -11.146 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.104 -8.403 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.991 -9.115 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.505 -10.735 -9.570 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.896 -9.437 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.605 -10.978 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.295 -9.837 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.969 -11.520 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.258 -11.711 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.529 -12.290 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.235 -11.114 -7.529 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.044 -9.879 -8.044 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.075 -9.654 -6.977 1.00 0.00 C ATOM 1097 C LEU A 68 -5.977 -8.697 -7.432 1.00 0.00 C ATOM 1098 O LEU A 68 -5.423 -7.947 -6.628 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.459 -10.982 -6.532 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.474 -10.880 -5.366 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.528 -12.138 -4.512 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.062 -10.644 -5.881 1.00 0.00 C ATOM 0 H LEU A 68 -7.973 -10.792 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.598 -9.203 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.263 -11.662 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.946 -11.430 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.760 -10.031 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.821 -12.048 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.535 -12.265 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.267 -13.003 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.374 -10.574 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.766 -11.473 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.033 -9.715 -6.451 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.669 -8.729 -8.724 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.638 -7.865 -9.285 1.00 0.00 C ATOM 1116 C ALA A 69 -5.080 -6.407 -9.278 1.00 0.00 C ATOM 1117 O ALA A 69 -4.285 -5.509 -8.999 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.291 -8.307 -10.699 1.00 0.00 C ATOM 0 H ALA A 69 -6.119 -9.344 -9.402 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.748 -7.950 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.520 -7.653 -11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.923 -9.333 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.181 -8.252 -11.326 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.353 -6.176 -9.586 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.899 -4.823 -9.613 1.00 0.00 C ATOM 1126 C GLU A 70 -6.745 -4.148 -8.254 1.00 0.00 C ATOM 1127 O GLU A 70 -6.415 -2.964 -8.172 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.376 -4.856 -10.015 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.794 -3.684 -10.889 1.00 0.00 C ATOM 1130 CD GLU A 70 -8.345 -3.842 -12.328 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -7.204 -4.300 -12.549 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -9.135 -3.507 -13.236 1.00 0.00 O ATOM 0 H GLU A 70 -7.025 -6.907 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.341 -4.246 -10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.579 -5.786 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.989 -4.864 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.879 -3.582 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.376 -2.764 -10.481 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.984 -4.909 -7.190 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.868 -4.384 -5.835 1.00 0.00 C ATOM 1141 C LYS A 71 -5.422 -4.015 -5.520 1.00 0.00 C ATOM 1142 O LYS A 71 -5.127 -2.878 -5.150 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.381 -5.410 -4.822 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.286 -4.813 -3.756 1.00 0.00 C ATOM 1145 CD LYS A 71 -9.641 -4.425 -4.327 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.742 -2.925 -4.557 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.435 -2.605 -5.836 1.00 0.00 N ATOM 0 H LYS A 71 -7.259 -5.890 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.477 -3.483 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.925 -6.191 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.529 -5.887 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.423 -5.533 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.808 -3.935 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.804 -4.950 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.429 -4.743 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.280 -2.466 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.742 -2.491 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.484 -1.573 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.908 -3.021 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.398 -2.997 -5.816 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.524 -4.982 -5.673 1.00 0.00 N ATOM 1162 CA ILE A 72 -3.108 -4.758 -5.410 1.00 0.00 C ATOM 1163 C ILE A 72 -2.531 -3.734 -6.381 1.00 0.00 C ATOM 1164 O ILE A 72 -1.618 -2.983 -6.040 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.302 -6.068 -5.520 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.925 -7.151 -4.636 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.848 -5.833 -5.132 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.205 -8.480 -4.711 1.00 0.00 C ATOM 0 H ILE A 72 -4.752 -5.928 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.027 -4.378 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.331 -6.407 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.929 -6.807 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.965 -7.293 -4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.294 -6.768 -5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.409 -5.090 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.799 -5.473 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.701 -9.200 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.224 -8.847 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.171 -8.352 -4.390 1.00 0.00 H new ATOM 1180 N TYR A 73 -3.073 -3.712 -7.594 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.619 -2.782 -8.622 1.00 0.00 C ATOM 1182 C TYR A 73 -3.071 -1.359 -8.303 1.00 0.00 C ATOM 1183 O TYR A 73 -2.277 -0.420 -8.350 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.152 -3.217 -9.991 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.005 -2.169 -11.074 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.752 -1.748 -11.497 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.124 -1.604 -11.672 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.617 -0.791 -12.486 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -3.999 -0.648 -12.660 1.00 0.00 C ATOM 1190 CZ TYR A 73 -2.744 -0.245 -13.064 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.614 0.707 -14.049 1.00 0.00 O ATOM 0 H TYR A 73 -3.829 -4.329 -7.890 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.529 -2.794 -8.645 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.629 -4.121 -10.302 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.206 -3.477 -9.893 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.868 -2.175 -11.046 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.109 -1.918 -11.359 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.635 -0.473 -12.804 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.880 -0.218 -13.114 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.503 0.988 -14.352 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.352 -1.208 -7.981 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.909 0.099 -7.656 1.00 0.00 C ATOM 1203 C LYS A 74 -4.256 0.676 -6.404 1.00 0.00 C ATOM 1204 O LYS A 74 -3.888 1.851 -6.369 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.422 -0.004 -7.455 1.00 0.00 C ATOM 1206 CG LYS A 74 -7.132 1.340 -7.479 1.00 0.00 C ATOM 1207 CD LYS A 74 -8.518 1.227 -8.094 1.00 0.00 C ATOM 1208 CE LYS A 74 -9.590 1.073 -7.028 1.00 0.00 C ATOM 1209 NZ LYS A 74 -10.911 0.717 -7.617 1.00 0.00 N ATOM 0 H LYS A 74 -5.023 -1.975 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.704 0.770 -8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.841 -0.641 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.621 -0.494 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.214 1.728 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.538 2.056 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.724 2.114 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.549 0.372 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.289 0.302 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.681 2.003 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.615 0.621 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.211 1.465 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.831 -0.184 -8.131 1.00 0.00 H new ATOM 1223 N ILE A 75 -4.114 -0.157 -5.378 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.505 0.271 -4.125 1.00 0.00 C ATOM 1225 C ILE A 75 -2.021 0.572 -4.310 1.00 0.00 C ATOM 1226 O ILE A 75 -1.476 1.473 -3.672 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.669 -0.796 -3.025 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -5.137 -1.209 -2.899 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -3.145 -0.274 -1.695 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.324 -2.633 -2.424 1.00 0.00 C ATOM 0 H ILE A 75 -4.413 -1.132 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.022 1.180 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.086 -1.674 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.638 -0.534 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.624 -1.090 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.268 -1.040 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.088 -0.025 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.703 0.618 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.389 -2.858 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.852 -3.317 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.866 -2.752 -1.442 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.373 -0.186 -5.188 1.00 0.00 N ATOM 1243 CA GLN A 76 0.049 0.001 -5.456 1.00 0.00 C ATOM 1244 C GLN A 76 0.320 1.404 -5.991 1.00 0.00 C ATOM 1245 O GLN A 76 1.351 2.004 -5.691 1.00 0.00 O ATOM 1246 CB GLN A 76 0.543 -1.047 -6.456 1.00 0.00 C ATOM 1247 CG GLN A 76 1.269 -2.213 -5.805 1.00 0.00 C ATOM 1248 CD GLN A 76 2.532 -2.603 -6.549 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.092 -1.808 -7.304 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.988 -3.831 -6.337 1.00 0.00 N ATOM 0 H GLN A 76 -1.809 -0.935 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 76 0.591 -0.121 -4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.308 -1.429 -7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.211 -0.568 -7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.523 -1.950 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.600 -3.072 -5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.492 -4.457 -5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.835 -4.149 -6.808 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.612 1.919 -6.786 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.474 3.251 -7.363 1.00 0.00 C ATOM 1261 C LYS A 77 -0.704 4.327 -6.306 1.00 0.00 C ATOM 1262 O LYS A 77 -0.116 5.407 -6.366 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.458 3.433 -8.519 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.857 3.134 -9.883 1.00 0.00 C ATOM 1265 CD LYS A 77 -0.401 1.688 -9.986 1.00 0.00 C ATOM 1266 CE LYS A 77 0.782 1.542 -10.929 1.00 0.00 C ATOM 1267 NZ LYS A 77 1.767 0.542 -10.434 1.00 0.00 N ATOM 0 H LYS A 77 -1.471 1.434 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 77 0.542 3.353 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.317 2.782 -8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.829 4.458 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.594 3.340 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.011 3.797 -10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.127 1.321 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.227 1.069 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.426 1.243 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.273 2.508 -11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.558 0.472 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.127 0.840 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.305 -0.386 -10.346 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.564 4.025 -5.339 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.872 4.967 -4.269 1.00 0.00 C ATOM 1283 C GLU A 78 -0.648 5.216 -3.393 1.00 0.00 C ATOM 1284 O GLU A 78 -0.480 6.301 -2.839 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.026 4.438 -3.414 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.397 4.860 -3.916 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.342 5.230 -2.789 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -4.858 5.713 -1.744 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.565 5.038 -2.952 1.00 0.00 O ATOM 0 H GLU A 78 -2.060 3.136 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.168 5.912 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.978 3.349 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.899 4.789 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.288 5.711 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.832 4.048 -4.499 1.00 0.00 H new ATOM 1296 N LEU A 79 0.204 4.202 -3.273 1.00 0.00 N ATOM 1297 CA LEU A 79 1.412 4.311 -2.465 1.00 0.00 C ATOM 1298 C LEU A 79 2.314 5.429 -2.980 1.00 0.00 C ATOM 1299 O LEU A 79 3.025 6.072 -2.209 1.00 0.00 O ATOM 1300 CB LEU A 79 2.174 2.984 -2.467 1.00 0.00 C ATOM 1301 CG LEU A 79 2.902 2.653 -1.163 1.00 0.00 C ATOM 1302 CD1 LEU A 79 2.947 1.149 -0.945 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.308 3.234 -1.177 1.00 0.00 C ATOM 0 H LEU A 79 0.079 3.296 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 79 1.115 4.550 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.472 2.180 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.903 3.002 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 79 2.352 3.103 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.469 0.932 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.931 0.759 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.474 0.677 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.812 2.989 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.868 2.812 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.253 4.317 -1.287 1.00 0.00 H new ATOM 1315 N GLU A 80 2.278 5.654 -4.290 1.00 0.00 N ATOM 1316 CA GLU A 80 3.092 6.695 -4.908 1.00 0.00 C ATOM 1317 C GLU A 80 2.704 8.073 -4.383 1.00 0.00 C ATOM 1318 O GLU A 80 3.547 8.962 -4.260 1.00 0.00 O ATOM 1319 CB GLU A 80 2.939 6.654 -6.430 1.00 0.00 C ATOM 1320 CG GLU A 80 3.868 5.661 -7.108 1.00 0.00 C ATOM 1321 CD GLU A 80 3.433 5.328 -8.521 1.00 0.00 C ATOM 1322 OE1 GLU A 80 3.719 6.130 -9.435 1.00 0.00 O ATOM 1323 OE2 GLU A 80 2.808 4.264 -8.715 1.00 0.00 O ATOM 0 H GLU A 80 1.695 5.130 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 80 4.134 6.508 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.908 6.401 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.128 7.649 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.878 6.070 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.908 4.745 -6.518 1.00 0.00 H new ATOM 1330 N GLU A 81 1.422 8.243 -4.073 1.00 0.00 N ATOM 1331 CA GLU A 81 0.922 9.513 -3.560 1.00 0.00 C ATOM 1332 C GLU A 81 1.491 9.802 -2.174 1.00 0.00 C ATOM 1333 O GLU A 81 1.697 10.958 -1.806 1.00 0.00 O ATOM 1334 CB GLU A 81 -0.606 9.498 -3.503 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.231 10.880 -3.593 1.00 0.00 C ATOM 1336 CD GLU A 81 -2.563 10.871 -4.319 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -2.632 10.297 -5.425 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -3.536 11.439 -3.780 1.00 0.00 O ATOM 0 H GLU A 81 0.712 7.517 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 81 1.246 10.303 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.986 8.883 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.922 9.025 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.372 11.277 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.545 11.552 -4.108 1.00 0.00 H new ATOM 1345 N LYS A 82 1.742 8.743 -1.411 1.00 0.00 N ATOM 1346 CA LYS A 82 2.287 8.882 -0.066 1.00 0.00 C ATOM 1347 C LYS A 82 3.752 9.303 -0.113 1.00 0.00 C ATOM 1348 O LYS A 82 4.240 9.990 0.784 1.00 0.00 O ATOM 1349 CB LYS A 82 2.147 7.567 0.702 1.00 0.00 C ATOM 1350 CG LYS A 82 0.730 7.288 1.177 1.00 0.00 C ATOM 1351 CD LYS A 82 0.521 7.748 2.610 1.00 0.00 C ATOM 1352 CE LYS A 82 -0.860 8.351 2.807 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.925 7.514 2.188 1.00 0.00 N ATOM 0 H LYS A 82 1.577 7.779 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 82 1.721 9.658 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.476 6.747 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.813 7.587 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.020 7.795 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.524 6.220 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.650 6.903 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.281 8.484 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.059 8.462 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.885 9.350 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.844 7.751 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.960 7.697 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.716 6.509 2.353 1.00 0.00 H new ATOM 1546 N GLU B 94 -6.982 4.978 8.803 1.00 0.00 N ATOM 1547 CA GLU B 94 -5.917 3.989 8.941 1.00 0.00 C ATOM 1548 C GLU B 94 -5.343 3.612 7.579 1.00 0.00 C ATOM 1549 O GLU B 94 -4.169 3.264 7.466 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.443 2.739 9.650 1.00 0.00 C ATOM 1551 CG GLU B 94 -6.312 2.799 11.163 1.00 0.00 C ATOM 1552 CD GLU B 94 -7.267 3.794 11.792 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -8.393 3.945 11.274 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -6.889 4.422 12.803 1.00 0.00 O ATOM 0 HA GLU B 94 -5.121 4.431 9.540 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.492 2.598 9.390 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -5.903 1.867 9.281 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -6.498 1.809 11.580 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -5.289 3.068 11.425 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.178 3.687 6.546 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.748 3.356 5.192 1.00 0.00 C ATOM 1563 C LEU B 95 -4.538 4.191 4.789 1.00 0.00 C ATOM 1564 O LEU B 95 -3.639 3.710 4.098 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.893 3.580 4.202 1.00 0.00 C ATOM 1566 CG LEU B 95 -7.798 2.369 3.973 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -9.224 2.816 3.689 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -7.267 1.516 2.831 1.00 0.00 C ATOM 0 H LEU B 95 -7.154 3.974 6.621 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.463 2.304 5.173 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.504 4.409 4.559 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.471 3.885 3.245 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.802 1.764 4.880 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -9.854 1.941 3.528 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.603 3.385 4.538 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.238 3.442 2.797 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -7.923 0.659 2.682 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.233 2.110 1.918 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.263 1.167 3.074 1.00 0.00 H new ATOM 1580 N SER B 96 -4.521 5.445 5.230 1.00 0.00 N ATOM 1581 CA SER B 96 -3.419 6.350 4.921 1.00 0.00 C ATOM 1582 C SER B 96 -2.213 6.057 5.807 1.00 0.00 C ATOM 1583 O SER B 96 -1.068 6.245 5.395 1.00 0.00 O ATOM 1584 CB SER B 96 -3.860 7.802 5.101 1.00 0.00 C ATOM 1585 OG SER B 96 -3.281 8.638 4.114 1.00 0.00 O ATOM 0 H SER B 96 -5.258 5.858 5.802 1.00 0.00 H new ATOM 0 HA SER B 96 -3.130 6.193 3.882 1.00 0.00 H new ATOM 0 HB2 SER B 96 -4.947 7.865 5.043 1.00 0.00 H new ATOM 0 HB3 SER B 96 -3.573 8.152 6.092 1.00 0.00 H new ATOM 0 HG SER B 96 -3.580 9.561 4.251 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.477 5.596 7.026 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.412 5.280 7.970 1.00 0.00 C ATOM 1593 C ASP B 97 -0.639 4.043 7.523 1.00 0.00 C ATOM 1594 O ASP B 97 0.592 4.019 7.563 1.00 0.00 O ATOM 1595 CB ASP B 97 -1.991 5.054 9.368 1.00 0.00 C ATOM 1596 CG ASP B 97 -2.326 6.355 10.071 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -3.137 7.133 9.524 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -1.780 6.596 11.167 1.00 0.00 O ATOM 0 H ASP B 97 -3.419 5.433 7.382 1.00 0.00 H new ATOM 0 HA ASP B 97 -0.725 6.126 8.001 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -2.891 4.443 9.292 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -1.275 4.493 9.969 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.368 3.017 7.097 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.751 1.777 6.641 1.00 0.00 C ATOM 1605 C LEU B 98 0.154 2.029 5.440 1.00 0.00 C ATOM 1606 O LEU B 98 1.210 1.410 5.304 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.827 0.751 6.278 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.468 0.038 7.469 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.735 -0.686 7.038 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.485 -0.936 8.100 1.00 0.00 C ATOM 0 H LEU B 98 -2.387 3.020 7.058 1.00 0.00 H new ATOM 0 HA LEU B 98 -0.142 1.383 7.455 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.610 1.254 5.710 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -1.386 0.002 5.620 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.736 0.787 8.215 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -4.178 -1.188 7.898 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -4.446 0.034 6.633 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.490 -1.424 6.274 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -1.959 -1.434 8.946 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.186 -1.680 7.362 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.605 -0.393 8.445 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.266 2.941 4.570 1.00 0.00 N ATOM 1623 CA LEU B 99 0.507 3.275 3.379 1.00 0.00 C ATOM 1624 C LEU B 99 1.641 4.238 3.718 1.00 0.00 C ATOM 1625 O LEU B 99 2.708 4.195 3.106 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.400 3.893 2.313 1.00 0.00 C ATOM 1627 CG LEU B 99 0.034 3.642 0.869 1.00 0.00 C ATOM 1628 CD1 LEU B 99 0.195 2.151 0.611 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.969 4.247 -0.102 1.00 0.00 C ATOM 0 H LEU B 99 -1.137 3.462 4.667 1.00 0.00 H new ATOM 0 HA LEU B 99 0.941 2.354 2.988 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.409 3.503 2.446 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.450 4.969 2.479 1.00 0.00 H new ATOM 0 HG LEU B 99 0.999 4.124 0.711 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.504 1.992 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.951 1.745 1.283 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -0.755 1.647 0.787 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.644 4.059 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.948 3.794 0.057 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -1.035 5.322 0.066 1.00 0.00 H new ATOM 1641 N ASP B 100 1.403 5.104 4.697 1.00 0.00 N ATOM 1642 CA ASP B 100 2.404 6.076 5.118 1.00 0.00 C ATOM 1643 C ASP B 100 3.662 5.379 5.624 1.00 0.00 C ATOM 1644 O ASP B 100 4.779 5.761 5.276 1.00 0.00 O ATOM 1645 CB ASP B 100 1.836 6.984 6.210 1.00 0.00 C ATOM 1646 CG ASP B 100 2.756 8.145 6.534 1.00 0.00 C ATOM 1647 OD1 ASP B 100 3.354 8.709 5.594 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.879 8.488 7.729 1.00 0.00 O ATOM 0 H ASP B 100 0.525 5.152 5.214 1.00 0.00 H new ATOM 0 HA ASP B 100 2.670 6.683 4.252 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.868 7.370 5.891 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.664 6.398 7.113 1.00 0.00 H new ATOM 1653 N PHE B 101 3.473 4.352 6.447 1.00 0.00 N ATOM 1654 CA PHE B 101 4.593 3.601 7.002 1.00 0.00 C ATOM 1655 C PHE B 101 5.429 2.971 5.892 1.00 0.00 C ATOM 1656 O PHE B 101 6.649 2.862 6.006 1.00 0.00 O ATOM 1657 CB PHE B 101 4.085 2.516 7.952 1.00 0.00 C ATOM 1658 CG PHE B 101 5.176 1.844 8.736 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.899 2.546 9.686 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.479 0.508 8.520 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.903 1.929 10.408 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.482 -0.114 9.239 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.195 0.598 10.184 1.00 0.00 C ATOM 0 H PHE B 101 2.555 4.021 6.744 1.00 0.00 H new ATOM 0 HA PHE B 101 5.224 4.295 7.558 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.370 2.958 8.646 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.547 1.763 7.376 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.676 3.587 9.865 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.925 -0.053 7.782 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.459 2.487 11.147 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.708 -1.155 9.062 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.980 0.114 10.747 1.00 0.00 H new ATOM 1673 N SER B 102 4.762 2.557 4.819 1.00 0.00 N ATOM 1674 CA SER B 102 5.443 1.938 3.689 1.00 0.00 C ATOM 1675 C SER B 102 6.158 2.986 2.842 1.00 0.00 C ATOM 1676 O SER B 102 7.197 2.711 2.243 1.00 0.00 O ATOM 1677 CB SER B 102 4.444 1.164 2.826 1.00 0.00 C ATOM 1678 OG SER B 102 3.527 0.442 3.630 1.00 0.00 O ATOM 0 H SER B 102 3.751 2.639 4.709 1.00 0.00 H new ATOM 0 HA SER B 102 6.187 1.245 4.082 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.901 1.857 2.183 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.980 0.476 2.173 1.00 0.00 H new ATOM 0 HG SER B 102 3.055 -0.216 3.078 1.00 0.00 H new ATOM 1684 N ALA B 103 5.592 4.188 2.798 1.00 0.00 N ATOM 1685 CA ALA B 103 6.175 5.279 2.026 1.00 0.00 C ATOM 1686 C ALA B 103 7.585 5.602 2.508 1.00 0.00 C ATOM 1687 O ALA B 103 8.435 6.033 1.729 1.00 0.00 O ATOM 1688 CB ALA B 103 5.291 6.514 2.109 1.00 0.00 C ATOM 0 H ALA B 103 4.731 4.431 3.288 1.00 0.00 H new ATOM 0 HA ALA B 103 6.240 4.960 0.986 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.738 7.321 1.528 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.304 6.282 1.709 1.00 0.00 H new ATOM 0 HB3 ALA B 103 5.197 6.825 3.149 1.00 0.00 H new ATOM 1694 N MET B 104 7.828 5.390 3.797 1.00 0.00 N ATOM 1695 CA MET B 104 9.135 5.659 4.384 1.00 0.00 C ATOM 1696 C MET B 104 10.217 4.819 3.711 1.00 0.00 C ATOM 1697 O MET B 104 11.366 5.244 3.599 1.00 0.00 O ATOM 1698 CB MET B 104 9.113 5.372 5.887 1.00 0.00 C ATOM 1699 CG MET B 104 8.677 6.561 6.726 1.00 0.00 C ATOM 1700 SD MET B 104 6.919 6.523 7.125 1.00 0.00 S ATOM 1701 CE MET B 104 6.360 8.031 6.337 1.00 0.00 C ATOM 0 H MET B 104 7.136 5.032 4.456 1.00 0.00 H new ATOM 0 HA MET B 104 9.366 6.713 4.226 1.00 0.00 H new ATOM 0 HB2 MET B 104 8.440 4.536 6.079 1.00 0.00 H new ATOM 0 HB3 MET B 104 10.108 5.060 6.204 1.00 0.00 H new ATOM 0 HG2 MET B 104 9.255 6.580 7.650 1.00 0.00 H new ATOM 0 HG3 MET B 104 8.904 7.482 6.189 1.00 0.00 H new ATOM 0 HE1 MET B 104 5.466 8.396 6.843 1.00 0.00 H new ATOM 0 HE2 MET B 104 7.145 8.785 6.397 1.00 0.00 H new ATOM 0 HE3 MET B 104 6.128 7.831 5.291 1.00 0.00 H new