USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 18 CYS SG : rot 180:sc= 0.575 USER MOD Set 1.2: A 67 CYS SG : rot 9:sc= 0.837 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00973 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 70:sc= 0.161 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.465 X(o=-0.47,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.861 K(o=-0.86,f=-0.29) USER MOD Single : A 70 TYR OH : rot 105:sc= 0.976 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.035 -0.331 -4.193 1.00 43.51 N ATOM 2 CA MET A 1 1.881 0.169 -2.832 1.00 4.32 C ATOM 3 C MET A 1 2.812 1.351 -2.578 1.00 53.32 C ATOM 4 O MET A 1 3.967 1.346 -3.000 1.00 23.30 O ATOM 5 CB MET A 1 2.165 -0.944 -1.822 1.00 24.03 C ATOM 6 CG MET A 1 0.911 -1.530 -1.194 1.00 11.40 C ATOM 7 SD MET A 1 1.277 -2.714 0.115 1.00 3.14 S ATOM 8 CE MET A 1 1.218 -1.653 1.558 1.00 74.45 C ATOM 0 H1 MET A 1 1.916 -1.364 -4.199 1.00 43.51 H new ATOM 0 H2 MET A 1 1.316 0.104 -4.806 1.00 43.51 H new ATOM 0 H3 MET A 1 2.983 -0.090 -4.546 1.00 43.51 H new ATOM 0 HA MET A 1 0.852 0.507 -2.710 1.00 4.32 H new ATOM 0 HB2 MET A 1 2.719 -1.741 -2.318 1.00 24.03 H new ATOM 0 HB3 MET A 1 2.807 -0.552 -1.033 1.00 24.03 H new ATOM 0 HG2 MET A 1 0.302 -0.723 -0.788 1.00 11.40 H new ATOM 0 HG3 MET A 1 0.318 -2.020 -1.966 1.00 11.40 H new ATOM 0 HE1 MET A 1 1.425 -2.242 2.451 1.00 74.45 H new ATOM 0 HE2 MET A 1 1.965 -0.865 1.461 1.00 74.45 H new ATOM 0 HE3 MET A 1 0.228 -1.205 1.640 1.00 74.45 H new ATOM 18 N GLY A 2 2.299 2.365 -1.886 1.00 62.43 N ATOM 19 CA GLY A 2 3.098 3.539 -1.589 1.00 51.34 C ATOM 20 C GLY A 2 3.712 4.152 -2.832 1.00 53.44 C ATOM 21 O GLY A 2 3.074 4.212 -3.883 1.00 73.55 O ATOM 0 H GLY A 2 1.345 2.394 -1.526 1.00 62.43 H new ATOM 0 HA2 GLY A 2 2.475 4.282 -1.091 1.00 51.34 H new ATOM 0 HA3 GLY A 2 3.891 3.268 -0.892 1.00 51.34 H new ATOM 25 N SER A 3 4.953 4.612 -2.713 1.00 22.34 N ATOM 26 CA SER A 3 5.652 5.229 -3.834 1.00 75.22 C ATOM 27 C SER A 3 6.569 4.223 -4.523 1.00 31.12 C ATOM 28 O SER A 3 7.598 4.591 -5.089 1.00 2.34 O ATOM 29 CB SER A 3 6.464 6.433 -3.356 1.00 5.32 C ATOM 30 OG SER A 3 5.635 7.567 -3.170 1.00 40.21 O ATOM 0 H SER A 3 5.496 4.569 -1.850 1.00 22.34 H new ATOM 0 HA SER A 3 4.906 5.566 -4.554 1.00 75.22 H new ATOM 0 HB2 SER A 3 6.966 6.188 -2.420 1.00 5.32 H new ATOM 0 HB3 SER A 3 7.242 6.663 -4.084 1.00 5.32 H new ATOM 0 HG SER A 3 6.178 8.322 -2.863 1.00 40.21 H new ATOM 36 N TRP A 4 6.188 2.952 -4.470 1.00 33.11 N ATOM 37 CA TRP A 4 6.975 1.892 -5.088 1.00 65.53 C ATOM 38 C TRP A 4 6.845 1.932 -6.607 1.00 21.51 C ATOM 39 O TRP A 4 7.844 1.903 -7.326 1.00 34.14 O ATOM 40 CB TRP A 4 6.532 0.526 -4.562 1.00 23.52 C ATOM 41 CG TRP A 4 7.104 -0.623 -5.336 1.00 72.51 C ATOM 42 CD1 TRP A 4 6.671 -1.095 -6.543 1.00 11.15 C ATOM 43 CD2 TRP A 4 8.212 -1.446 -4.956 1.00 20.33 C ATOM 44 NE1 TRP A 4 7.443 -2.161 -6.935 1.00 63.40 N ATOM 45 CE2 TRP A 4 8.396 -2.396 -5.979 1.00 62.34 C ATOM 46 CE3 TRP A 4 9.068 -1.472 -3.851 1.00 51.24 C ATOM 47 CZ2 TRP A 4 9.400 -3.360 -5.928 1.00 52.14 C ATOM 48 CZ3 TRP A 4 10.063 -2.429 -3.802 1.00 63.12 C ATOM 49 CH2 TRP A 4 10.223 -3.362 -4.835 1.00 43.15 C ATOM 0 H TRP A 4 5.339 2.631 -4.005 1.00 33.11 H new ATOM 0 HA TRP A 4 8.021 2.052 -4.827 1.00 65.53 H new ATOM 0 HB2 TRP A 4 6.828 0.434 -3.517 1.00 23.52 H new ATOM 0 HB3 TRP A 4 5.444 0.469 -4.592 1.00 23.52 H new ATOM 0 HD1 TRP A 4 5.843 -0.689 -7.106 1.00 11.15 H new ATOM 0 HE1 TRP A 4 7.326 -2.692 -7.798 1.00 63.40 H new ATOM 0 HE3 TRP A 4 8.953 -0.757 -3.050 1.00 51.24 H new ATOM 0 HZ2 TRP A 4 9.524 -4.080 -6.723 1.00 52.14 H new ATOM 0 HZ3 TRP A 4 10.729 -2.459 -2.953 1.00 63.12 H new ATOM 0 HH2 TRP A 4 11.011 -4.097 -4.767 1.00 43.15 H new ATOM 60 N ALA A 5 5.608 1.998 -7.089 1.00 4.11 N ATOM 61 CA ALA A 5 5.349 2.044 -8.522 1.00 54.44 C ATOM 62 C ALA A 5 6.172 3.138 -9.195 1.00 24.45 C ATOM 63 O ALA A 5 6.821 2.900 -10.213 1.00 4.34 O ATOM 64 CB ALA A 5 3.866 2.263 -8.783 1.00 74.43 C ATOM 0 H ALA A 5 4.770 2.021 -6.508 1.00 4.11 H new ATOM 0 HA ALA A 5 5.646 1.087 -8.950 1.00 54.44 H new ATOM 0 HB1 ALA A 5 3.687 2.295 -9.858 1.00 74.43 H new ATOM 0 HB2 ALA A 5 3.295 1.445 -8.344 1.00 74.43 H new ATOM 0 HB3 ALA A 5 3.553 3.206 -8.334 1.00 74.43 H new ATOM 70 N GLU A 6 6.140 4.335 -8.618 1.00 43.34 N ATOM 71 CA GLU A 6 6.883 5.465 -9.164 1.00 64.12 C ATOM 72 C GLU A 6 8.375 5.151 -9.236 1.00 1.10 C ATOM 73 O GLU A 6 9.012 5.345 -10.271 1.00 65.35 O ATOM 74 CB GLU A 6 6.654 6.714 -8.311 1.00 44.53 C ATOM 75 CG GLU A 6 5.644 7.681 -8.907 1.00 5.03 C ATOM 76 CD GLU A 6 4.220 7.366 -8.492 1.00 64.51 C ATOM 77 OE1 GLU A 6 3.953 7.321 -7.273 1.00 72.23 O ATOM 78 OE2 GLU A 6 3.373 7.164 -9.388 1.00 25.54 O ATOM 0 H GLU A 6 5.608 4.547 -7.774 1.00 43.34 H new ATOM 0 HA GLU A 6 6.519 5.652 -10.174 1.00 64.12 H new ATOM 0 HB2 GLU A 6 6.313 6.410 -7.321 1.00 44.53 H new ATOM 0 HB3 GLU A 6 7.604 7.231 -8.176 1.00 44.53 H new ATOM 0 HG2 GLU A 6 5.892 8.696 -8.598 1.00 5.03 H new ATOM 0 HG3 GLU A 6 5.717 7.652 -9.994 1.00 5.03 H new ATOM 85 N PHE A 7 8.926 4.666 -8.128 1.00 53.10 N ATOM 86 CA PHE A 7 10.342 4.327 -8.064 1.00 24.33 C ATOM 87 C PHE A 7 10.688 3.240 -9.077 1.00 71.33 C ATOM 88 O PHE A 7 11.716 3.307 -9.752 1.00 12.04 O ATOM 89 CB PHE A 7 10.714 3.862 -6.654 1.00 73.20 C ATOM 90 CG PHE A 7 11.602 4.825 -5.920 1.00 24.31 C ATOM 91 CD1 PHE A 7 11.145 6.087 -5.579 1.00 5.53 C ATOM 92 CD2 PHE A 7 12.895 4.467 -5.571 1.00 51.34 C ATOM 93 CE1 PHE A 7 11.961 6.976 -4.903 1.00 35.02 C ATOM 94 CE2 PHE A 7 13.714 5.351 -4.895 1.00 43.31 C ATOM 95 CZ PHE A 7 13.247 6.608 -4.562 1.00 20.55 C ATOM 0 H PHE A 7 8.413 4.499 -7.262 1.00 53.10 H new ATOM 0 HA PHE A 7 10.915 5.222 -8.308 1.00 24.33 H new ATOM 0 HB2 PHE A 7 9.801 3.710 -6.078 1.00 73.20 H new ATOM 0 HB3 PHE A 7 11.215 2.896 -6.719 1.00 73.20 H new ATOM 0 HD1 PHE A 7 10.140 6.380 -5.844 1.00 5.53 H new ATOM 0 HD2 PHE A 7 13.266 3.487 -5.830 1.00 51.34 H new ATOM 0 HE1 PHE A 7 11.592 7.957 -4.642 1.00 35.02 H new ATOM 0 HE2 PHE A 7 14.719 5.060 -4.627 1.00 43.31 H new ATOM 0 HZ PHE A 7 13.887 7.301 -4.036 1.00 20.55 H new ATOM 105 N LYS A 8 9.822 2.237 -9.179 1.00 53.31 N ATOM 106 CA LYS A 8 10.032 1.135 -10.110 1.00 24.11 C ATOM 107 C LYS A 8 10.017 1.630 -11.552 1.00 55.35 C ATOM 108 O LYS A 8 10.786 1.157 -12.388 1.00 53.15 O ATOM 109 CB LYS A 8 8.957 0.064 -9.916 1.00 30.45 C ATOM 110 CG LYS A 8 9.158 -1.165 -10.786 1.00 1.03 C ATOM 111 CD LYS A 8 8.825 -2.442 -10.033 1.00 21.22 C ATOM 112 CE LYS A 8 7.437 -2.952 -10.387 1.00 73.32 C ATOM 113 NZ LYS A 8 7.437 -3.719 -11.664 1.00 32.34 N ATOM 0 H LYS A 8 8.967 2.165 -8.627 1.00 53.31 H new ATOM 0 HA LYS A 8 11.010 0.700 -9.904 1.00 24.11 H new ATOM 0 HB2 LYS A 8 8.944 -0.240 -8.869 1.00 30.45 H new ATOM 0 HB3 LYS A 8 7.981 0.497 -10.134 1.00 30.45 H new ATOM 0 HG2 LYS A 8 8.529 -1.090 -11.673 1.00 1.03 H new ATOM 0 HG3 LYS A 8 10.192 -1.203 -11.130 1.00 1.03 H new ATOM 0 HD2 LYS A 8 9.565 -3.207 -10.267 1.00 21.22 H new ATOM 0 HD3 LYS A 8 8.884 -2.259 -8.960 1.00 21.22 H new ATOM 0 HE2 LYS A 8 7.067 -3.587 -9.582 1.00 73.32 H new ATOM 0 HE3 LYS A 8 6.751 -2.109 -10.469 1.00 73.32 H new ATOM 0 HZ1 LYS A 8 6.473 -4.050 -11.870 1.00 32.34 H new ATOM 0 HZ2 LYS A 8 7.766 -3.106 -12.437 1.00 32.34 H new ATOM 0 HZ3 LYS A 8 8.072 -4.538 -11.577 1.00 32.34 H new ATOM 127 N GLN A 9 9.137 2.586 -11.836 1.00 31.43 N ATOM 128 CA GLN A 9 9.023 3.145 -13.177 1.00 72.25 C ATOM 129 C GLN A 9 10.299 3.881 -13.571 1.00 22.12 C ATOM 130 O GLN A 9 10.894 3.600 -14.611 1.00 71.34 O ATOM 131 CB GLN A 9 7.827 4.095 -13.257 1.00 12.12 C ATOM 132 CG GLN A 9 6.826 3.725 -14.340 1.00 23.02 C ATOM 133 CD GLN A 9 5.463 4.348 -14.112 1.00 60.35 C ATOM 134 OE1 GLN A 9 4.485 3.649 -13.845 1.00 23.23 O ATOM 135 NE2 GLN A 9 5.391 5.669 -14.218 1.00 54.50 N ATOM 0 H GLN A 9 8.493 2.989 -11.155 1.00 31.43 H new ATOM 0 HA GLN A 9 8.871 2.321 -13.874 1.00 72.25 H new ATOM 0 HB2 GLN A 9 7.318 4.107 -12.293 1.00 12.12 H new ATOM 0 HB3 GLN A 9 8.189 5.107 -13.439 1.00 12.12 H new ATOM 0 HG2 GLN A 9 7.210 4.045 -15.309 1.00 23.02 H new ATOM 0 HG3 GLN A 9 6.724 2.641 -14.380 1.00 23.02 H new ATOM 0 HE21 GLN A 9 6.227 6.209 -14.441 1.00 54.50 H new ATOM 0 HE22 GLN A 9 4.500 6.144 -14.076 1.00 54.50 H new ATOM 144 N ARG A 10 10.714 4.825 -12.732 1.00 64.33 N ATOM 145 CA ARG A 10 11.920 5.602 -12.993 1.00 54.45 C ATOM 146 C ARG A 10 13.130 4.689 -13.162 1.00 42.03 C ATOM 147 O ARG A 10 13.923 4.856 -14.090 1.00 3.53 O ATOM 148 CB ARG A 10 12.170 6.593 -11.855 1.00 14.21 C ATOM 149 CG ARG A 10 11.190 7.755 -11.832 1.00 72.04 C ATOM 150 CD ARG A 10 10.539 7.909 -10.467 1.00 22.45 C ATOM 151 NE ARG A 10 11.185 8.945 -9.666 1.00 42.41 N ATOM 152 CZ ARG A 10 11.019 9.072 -8.354 1.00 74.53 C ATOM 153 NH1 ARG A 10 10.231 8.230 -7.699 1.00 24.04 N ATOM 154 NH2 ARG A 10 11.641 10.041 -7.695 1.00 72.15 N ATOM 0 H ARG A 10 10.233 5.070 -11.866 1.00 64.33 H new ATOM 0 HA ARG A 10 11.772 6.154 -13.921 1.00 54.45 H new ATOM 0 HB2 ARG A 10 12.114 6.063 -10.904 1.00 14.21 H new ATOM 0 HB3 ARG A 10 13.183 6.985 -11.942 1.00 14.21 H new ATOM 0 HG2 ARG A 10 11.710 8.676 -12.094 1.00 72.04 H new ATOM 0 HG3 ARG A 10 10.420 7.598 -12.588 1.00 72.04 H new ATOM 0 HD2 ARG A 10 9.484 8.154 -10.594 1.00 22.45 H new ATOM 0 HD3 ARG A 10 10.584 6.959 -9.935 1.00 22.45 H new ATOM 0 HE ARG A 10 11.798 9.608 -10.140 1.00 42.41 H new ATOM 0 HH11 ARG A 10 9.752 7.484 -8.203 1.00 24.04 H new ATOM 0 HH12 ARG A 10 10.104 8.329 -6.692 1.00 24.04 H new ATOM 0 HH21 ARG A 10 12.248 10.690 -8.196 1.00 72.15 H new ATOM 0 HH22 ARG A 10 11.512 10.137 -6.688 1.00 72.15 H new ATOM 168 N LEU A 11 13.266 3.724 -12.260 1.00 65.51 N ATOM 169 CA LEU A 11 14.381 2.783 -12.308 1.00 53.13 C ATOM 170 C LEU A 11 14.316 1.927 -13.569 1.00 25.10 C ATOM 171 O LEU A 11 15.345 1.582 -14.150 1.00 20.11 O ATOM 172 CB LEU A 11 14.372 1.887 -11.069 1.00 14.25 C ATOM 173 CG LEU A 11 15.640 1.910 -10.214 1.00 53.24 C ATOM 174 CD1 LEU A 11 15.990 3.336 -9.817 1.00 71.20 C ATOM 175 CD2 LEU A 11 15.467 1.038 -8.980 1.00 21.52 C ATOM 0 H LEU A 11 12.619 3.572 -11.486 1.00 65.51 H new ATOM 0 HA LEU A 11 15.308 3.356 -12.327 1.00 53.13 H new ATOM 0 HB2 LEU A 11 13.529 2.178 -10.441 1.00 14.25 H new ATOM 0 HB3 LEU A 11 14.192 0.861 -11.389 1.00 14.25 H new ATOM 0 HG LEU A 11 16.462 1.507 -10.806 1.00 53.24 H new ATOM 0 HD11 LEU A 11 16.895 3.333 -9.209 1.00 71.20 H new ATOM 0 HD12 LEU A 11 16.157 3.933 -10.714 1.00 71.20 H new ATOM 0 HD13 LEU A 11 15.169 3.766 -9.243 1.00 71.20 H new ATOM 0 HD21 LEU A 11 16.379 1.066 -8.384 1.00 21.52 H new ATOM 0 HD22 LEU A 11 14.633 1.410 -8.385 1.00 21.52 H new ATOM 0 HD23 LEU A 11 15.265 0.011 -9.285 1.00 21.52 H new ATOM 187 N ALA A 12 13.101 1.589 -13.987 1.00 41.24 N ATOM 188 CA ALA A 12 12.903 0.777 -15.182 1.00 15.34 C ATOM 189 C ALA A 12 13.372 1.514 -16.431 1.00 42.51 C ATOM 190 O ALA A 12 14.055 0.943 -17.280 1.00 41.04 O ATOM 191 CB ALA A 12 11.438 0.386 -15.316 1.00 43.13 C ATOM 0 H ALA A 12 12.239 1.865 -13.516 1.00 41.24 H new ATOM 0 HA ALA A 12 13.502 -0.128 -15.080 1.00 15.34 H new ATOM 0 HB1 ALA A 12 11.304 -0.220 -16.212 1.00 43.13 H new ATOM 0 HB2 ALA A 12 11.133 -0.188 -14.441 1.00 43.13 H new ATOM 0 HB3 ALA A 12 10.827 1.285 -15.391 1.00 43.13 H new ATOM 197 N ALA A 13 13.001 2.786 -16.537 1.00 1.22 N ATOM 198 CA ALA A 13 13.386 3.602 -17.682 1.00 72.41 C ATOM 199 C ALA A 13 14.894 3.823 -17.716 1.00 41.14 C ATOM 200 O ALA A 13 15.518 3.745 -18.775 1.00 23.00 O ATOM 201 CB ALA A 13 12.655 4.936 -17.649 1.00 70.34 C ATOM 0 H ALA A 13 12.434 3.274 -15.843 1.00 1.22 H new ATOM 0 HA ALA A 13 13.103 3.068 -18.589 1.00 72.41 H new ATOM 0 HB1 ALA A 13 12.952 5.535 -18.510 1.00 70.34 H new ATOM 0 HB2 ALA A 13 11.579 4.762 -17.682 1.00 70.34 H new ATOM 0 HB3 ALA A 13 12.909 5.468 -16.732 1.00 70.34 H new ATOM 207 N ILE A 14 15.473 4.100 -16.553 1.00 43.31 N ATOM 208 CA ILE A 14 16.909 4.333 -16.451 1.00 74.32 C ATOM 209 C ILE A 14 17.694 3.057 -16.737 1.00 13.03 C ATOM 210 O ILE A 14 18.736 3.089 -17.392 1.00 14.21 O ATOM 211 CB ILE A 14 17.296 4.859 -15.057 1.00 10.23 C ATOM 212 CG1 ILE A 14 16.553 6.162 -14.755 1.00 42.51 C ATOM 213 CG2 ILE A 14 18.800 5.068 -14.968 1.00 64.04 C ATOM 214 CD1 ILE A 14 16.463 6.479 -13.279 1.00 32.23 C ATOM 0 H ILE A 14 14.970 4.169 -15.668 1.00 43.31 H new ATOM 0 HA ILE A 14 17.161 5.087 -17.197 1.00 74.32 H new ATOM 0 HB ILE A 14 17.007 4.117 -14.312 1.00 10.23 H new ATOM 0 HG12 ILE A 14 17.056 6.984 -15.265 1.00 42.51 H new ATOM 0 HG13 ILE A 14 15.546 6.100 -15.167 1.00 42.51 H new ATOM 0 HG21 ILE A 14 19.058 5.440 -13.976 1.00 64.04 H new ATOM 0 HG22 ILE A 14 19.310 4.121 -15.144 1.00 64.04 H new ATOM 0 HG23 ILE A 14 19.112 5.793 -15.720 1.00 64.04 H new ATOM 0 HD11 ILE A 14 15.924 7.416 -13.140 1.00 32.23 H new ATOM 0 HD12 ILE A 14 15.933 5.676 -12.766 1.00 32.23 H new ATOM 0 HD13 ILE A 14 17.467 6.574 -12.865 1.00 32.23 H new ATOM 226 N LYS A 15 17.186 1.933 -16.242 1.00 51.21 N ATOM 227 CA LYS A 15 17.837 0.644 -16.446 1.00 14.42 C ATOM 228 C LYS A 15 17.748 0.215 -17.907 1.00 33.23 C ATOM 229 O LYS A 15 18.711 -0.305 -18.472 1.00 54.52 O ATOM 230 CB LYS A 15 17.198 -0.420 -15.550 1.00 51.25 C ATOM 231 CG LYS A 15 18.082 -1.634 -15.323 1.00 1.41 C ATOM 232 CD LYS A 15 17.349 -2.925 -15.644 1.00 21.43 C ATOM 233 CE LYS A 15 17.663 -4.012 -14.626 1.00 53.32 C ATOM 234 NZ LYS A 15 17.115 -5.333 -15.039 1.00 74.31 N ATOM 0 H LYS A 15 16.325 1.889 -15.697 1.00 51.21 H new ATOM 0 HA LYS A 15 18.889 0.750 -16.181 1.00 14.42 H new ATOM 0 HB2 LYS A 15 16.954 0.027 -14.586 1.00 51.25 H new ATOM 0 HB3 LYS A 15 16.258 -0.744 -15.998 1.00 51.25 H new ATOM 0 HG2 LYS A 15 18.974 -1.557 -15.944 1.00 1.41 H new ATOM 0 HG3 LYS A 15 18.417 -1.653 -14.286 1.00 1.41 H new ATOM 0 HD2 LYS A 15 16.275 -2.740 -15.661 1.00 21.43 H new ATOM 0 HD3 LYS A 15 17.630 -3.266 -16.640 1.00 21.43 H new ATOM 0 HE2 LYS A 15 18.743 -4.090 -14.500 1.00 53.32 H new ATOM 0 HE3 LYS A 15 17.248 -3.733 -13.657 1.00 53.32 H new ATOM 0 HZ1 LYS A 15 17.350 -6.047 -14.320 1.00 74.31 H new ATOM 0 HZ2 LYS A 15 16.082 -5.265 -15.135 1.00 74.31 H new ATOM 0 HZ3 LYS A 15 17.530 -5.611 -15.951 1.00 74.31 H new ATOM 248 N THR A 16 16.586 0.436 -18.514 1.00 71.23 N ATOM 249 CA THR A 16 16.372 0.072 -19.909 1.00 54.02 C ATOM 250 C THR A 16 17.295 0.860 -20.831 1.00 50.21 C ATOM 251 O THR A 16 17.970 0.287 -21.686 1.00 42.34 O ATOM 252 CB THR A 16 14.911 0.314 -20.335 1.00 1.21 C ATOM 253 OG1 THR A 16 14.029 -0.478 -19.532 1.00 0.34 O ATOM 254 CG2 THR A 16 14.712 -0.028 -21.804 1.00 12.33 C ATOM 0 H THR A 16 15.779 0.865 -18.061 1.00 71.23 H new ATOM 0 HA THR A 16 16.597 -0.991 -19.996 1.00 54.02 H new ATOM 0 HB THR A 16 14.684 1.370 -20.190 1.00 1.21 H new ATOM 0 HG1 THR A 16 14.000 -0.115 -18.622 1.00 0.34 H new ATOM 0 HG21 THR A 16 13.673 0.151 -22.082 1.00 12.33 H new ATOM 0 HG22 THR A 16 15.364 0.597 -22.415 1.00 12.33 H new ATOM 0 HG23 THR A 16 14.956 -1.077 -21.970 1.00 12.33 H new ATOM 262 N ARG A 17 17.320 2.177 -20.651 1.00 62.32 N ATOM 263 CA ARG A 17 18.161 3.043 -21.468 1.00 1.41 C ATOM 264 C ARG A 17 19.639 2.773 -21.203 1.00 4.41 C ATOM 265 O ARG A 17 20.472 2.883 -22.104 1.00 11.42 O ATOM 266 CB ARG A 17 17.842 4.513 -21.186 1.00 35.30 C ATOM 267 CG ARG A 17 16.447 4.928 -21.625 1.00 34.44 C ATOM 268 CD ARG A 17 15.866 5.989 -20.704 1.00 11.33 C ATOM 269 NE ARG A 17 16.130 7.340 -21.191 1.00 42.40 N ATOM 270 CZ ARG A 17 15.508 8.421 -20.734 1.00 1.43 C ATOM 271 NH1 ARG A 17 14.591 8.310 -19.783 1.00 10.03 N ATOM 272 NH2 ARG A 17 15.804 9.617 -21.227 1.00 54.14 N ATOM 0 H ARG A 17 16.768 2.667 -19.947 1.00 62.32 H new ATOM 0 HA ARG A 17 17.952 2.827 -22.516 1.00 1.41 H new ATOM 0 HB2 ARG A 17 17.948 4.701 -20.118 1.00 35.30 H new ATOM 0 HB3 ARG A 17 18.575 5.139 -21.694 1.00 35.30 H new ATOM 0 HG2 ARG A 17 16.484 5.311 -22.645 1.00 34.44 H new ATOM 0 HG3 ARG A 17 15.793 4.056 -21.635 1.00 34.44 H new ATOM 0 HD2 ARG A 17 14.790 5.840 -20.613 1.00 11.33 H new ATOM 0 HD3 ARG A 17 16.289 5.874 -19.706 1.00 11.33 H new ATOM 0 HE ARG A 17 16.831 7.460 -21.922 1.00 42.40 H new ATOM 0 HH11 ARG A 17 14.362 7.393 -19.400 1.00 10.03 H new ATOM 0 HH12 ARG A 17 14.115 9.142 -19.434 1.00 10.03 H new ATOM 0 HH21 ARG A 17 16.510 9.707 -21.958 1.00 54.14 H new ATOM 0 HH22 ARG A 17 15.326 10.446 -20.875 1.00 54.14 H new ATOM 286 N CYS A 18 19.958 2.421 -19.963 1.00 33.45 N ATOM 287 CA CYS A 18 21.336 2.136 -19.578 1.00 52.23 C ATOM 288 C CYS A 18 21.793 0.797 -20.146 1.00 61.52 C ATOM 289 O CYS A 18 22.925 0.663 -20.610 1.00 61.20 O ATOM 290 CB CYS A 18 21.472 2.131 -18.055 1.00 52.20 C ATOM 291 SG CYS A 18 22.963 1.307 -17.450 1.00 32.33 S ATOM 0 H CYS A 18 19.281 2.326 -19.206 1.00 33.45 H new ATOM 0 HA CYS A 18 21.971 2.920 -19.989 1.00 52.23 H new ATOM 0 HB2 CYS A 18 21.468 3.161 -17.697 1.00 52.20 H new ATOM 0 HB3 CYS A 18 20.599 1.641 -17.625 1.00 52.20 H new ATOM 0 HG CYS A 18 22.989 1.356 -16.151 1.00 32.33 H new ATOM 297 N GLN A 19 20.906 -0.192 -20.104 1.00 54.14 N ATOM 298 CA GLN A 19 21.220 -1.522 -20.613 1.00 13.11 C ATOM 299 C GLN A 19 21.278 -1.522 -22.137 1.00 35.41 C ATOM 300 O GLN A 19 22.040 -2.278 -22.739 1.00 4.35 O ATOM 301 CB GLN A 19 20.180 -2.534 -20.130 1.00 32.42 C ATOM 302 CG GLN A 19 20.184 -2.739 -18.624 1.00 23.44 C ATOM 303 CD GLN A 19 20.868 -4.028 -18.212 1.00 71.40 C ATOM 304 OE1 GLN A 19 21.842 -4.454 -18.833 1.00 44.51 O ATOM 305 NE2 GLN A 19 20.360 -4.659 -17.159 1.00 55.55 N ATOM 0 H GLN A 19 19.965 -0.098 -19.723 1.00 54.14 H new ATOM 0 HA GLN A 19 22.200 -1.808 -20.231 1.00 13.11 H new ATOM 0 HB2 GLN A 19 19.190 -2.201 -20.440 1.00 32.42 H new ATOM 0 HB3 GLN A 19 20.362 -3.491 -20.619 1.00 32.42 H new ATOM 0 HG2 GLN A 19 20.687 -1.897 -18.148 1.00 23.44 H new ATOM 0 HG3 GLN A 19 19.157 -2.745 -18.259 1.00 23.44 H new ATOM 0 HE21 GLN A 19 19.552 -4.271 -16.673 1.00 55.55 H new ATOM 0 HE22 GLN A 19 20.778 -5.532 -16.837 1.00 55.55 H new ATOM 314 N ALA A 20 20.466 -0.671 -22.755 1.00 52.02 N ATOM 315 CA ALA A 20 20.426 -0.572 -24.209 1.00 31.21 C ATOM 316 C ALA A 20 21.506 0.372 -24.725 1.00 4.22 C ATOM 317 O ALA A 20 22.019 0.200 -25.832 1.00 0.14 O ATOM 318 CB ALA A 20 19.052 -0.107 -24.669 1.00 22.11 C ATOM 0 H ALA A 20 19.827 -0.040 -22.272 1.00 52.02 H new ATOM 0 HA ALA A 20 20.619 -1.562 -24.621 1.00 31.21 H new ATOM 0 HB1 ALA A 20 19.037 -0.038 -25.757 1.00 22.11 H new ATOM 0 HB2 ALA A 20 18.297 -0.821 -24.340 1.00 22.11 H new ATOM 0 HB3 ALA A 20 18.837 0.872 -24.240 1.00 22.11 H new ATOM 324 N LEU A 21 21.848 1.370 -23.917 1.00 51.24 N ATOM 325 CA LEU A 21 22.868 2.343 -24.293 1.00 11.33 C ATOM 326 C LEU A 21 22.560 2.957 -25.655 1.00 11.03 C ATOM 327 O LEU A 21 23.260 2.703 -26.634 1.00 51.20 O ATOM 328 CB LEU A 21 24.247 1.682 -24.319 1.00 31.22 C ATOM 329 CG LEU A 21 24.850 1.333 -22.958 1.00 33.24 C ATOM 330 CD1 LEU A 21 26.229 0.714 -23.127 1.00 55.02 C ATOM 331 CD2 LEU A 21 24.923 2.570 -22.074 1.00 22.50 C ATOM 0 H LEU A 21 21.434 1.527 -22.998 1.00 51.24 H new ATOM 0 HA LEU A 21 22.867 3.139 -23.548 1.00 11.33 H new ATOM 0 HB2 LEU A 21 24.178 0.768 -24.909 1.00 31.22 H new ATOM 0 HB3 LEU A 21 24.936 2.346 -24.840 1.00 31.22 H new ATOM 0 HG LEU A 21 24.204 0.602 -22.473 1.00 33.24 H new ATOM 0 HD11 LEU A 21 26.642 0.472 -22.148 1.00 55.02 H new ATOM 0 HD12 LEU A 21 26.149 -0.196 -23.722 1.00 55.02 H new ATOM 0 HD13 LEU A 21 26.886 1.421 -23.633 1.00 55.02 H new ATOM 0 HD21 LEU A 21 25.355 2.303 -21.109 1.00 22.50 H new ATOM 0 HD22 LEU A 21 25.547 3.324 -22.554 1.00 22.50 H new ATOM 0 HD23 LEU A 21 23.920 2.970 -21.924 1.00 22.50 H new ATOM 343 N GLY A 22 21.508 3.768 -25.708 1.00 52.45 N ATOM 344 CA GLY A 22 21.127 4.408 -26.954 1.00 71.34 C ATOM 345 C GLY A 22 22.303 5.060 -27.655 1.00 34.43 C ATOM 346 O GLY A 22 22.332 5.148 -28.881 1.00 63.14 O ATOM 0 H GLY A 22 20.913 3.993 -24.911 1.00 52.45 H new ATOM 0 HA2 GLY A 22 20.678 3.668 -27.616 1.00 71.34 H new ATOM 0 HA3 GLY A 22 20.365 5.161 -26.754 1.00 71.34 H new ATOM 350 N GLY A 23 23.275 5.519 -26.873 1.00 12.44 N ATOM 351 CA GLY A 23 24.444 6.163 -27.443 1.00 20.50 C ATOM 352 C GLY A 23 24.479 7.653 -27.167 1.00 74.41 C ATOM 353 O GLY A 23 24.902 8.438 -28.015 1.00 3.11 O ATOM 0 H GLY A 23 23.274 5.456 -25.855 1.00 12.44 H new ATOM 0 HA2 GLY A 23 25.344 5.700 -27.037 1.00 20.50 H new ATOM 0 HA3 GLY A 23 24.458 5.996 -28.520 1.00 20.50 H new ATOM 357 N SER A 24 24.030 8.043 -25.978 1.00 42.44 N ATOM 358 CA SER A 24 24.006 9.450 -25.595 1.00 44.10 C ATOM 359 C SER A 24 24.886 9.695 -24.373 1.00 45.11 C ATOM 360 O SER A 24 24.618 9.180 -23.289 1.00 34.34 O ATOM 361 CB SER A 24 22.573 9.897 -25.303 1.00 34.32 C ATOM 362 OG SER A 24 21.765 9.809 -26.464 1.00 14.24 O ATOM 0 H SER A 24 23.678 7.405 -25.264 1.00 42.44 H new ATOM 0 HA SER A 24 24.398 10.034 -26.427 1.00 44.10 H new ATOM 0 HB2 SER A 24 22.149 9.277 -24.513 1.00 34.32 H new ATOM 0 HB3 SER A 24 22.577 10.923 -24.935 1.00 34.32 H new ATOM 0 HG SER A 24 20.853 10.099 -26.251 1.00 14.24 H new ATOM 368 N GLU A 25 25.939 10.486 -24.559 1.00 20.34 N ATOM 369 CA GLU A 25 26.860 10.799 -23.472 1.00 35.41 C ATOM 370 C GLU A 25 26.123 11.451 -22.306 1.00 33.14 C ATOM 371 O GLU A 25 26.606 11.450 -21.174 1.00 3.40 O ATOM 372 CB GLU A 25 27.973 11.724 -23.967 1.00 61.33 C ATOM 373 CG GLU A 25 27.467 12.908 -24.773 1.00 52.21 C ATOM 374 CD GLU A 25 27.909 14.239 -24.195 1.00 63.44 C ATOM 375 OE1 GLU A 25 29.113 14.556 -24.292 1.00 65.52 O ATOM 376 OE2 GLU A 25 27.052 14.962 -23.647 1.00 4.33 O ATOM 0 H GLU A 25 26.175 10.921 -25.451 1.00 20.34 H new ATOM 0 HA GLU A 25 27.302 9.865 -23.124 1.00 35.41 H new ATOM 0 HB2 GLU A 25 28.536 12.093 -23.109 1.00 61.33 H new ATOM 0 HB3 GLU A 25 28.667 11.148 -24.580 1.00 61.33 H new ATOM 0 HG2 GLU A 25 27.826 12.824 -25.799 1.00 52.21 H new ATOM 0 HG3 GLU A 25 26.378 12.877 -24.813 1.00 52.21 H new ATOM 383 N ALA A 26 24.950 12.007 -22.591 1.00 71.00 N ATOM 384 CA ALA A 26 24.145 12.661 -21.567 1.00 3.41 C ATOM 385 C ALA A 26 23.287 11.651 -20.814 1.00 73.32 C ATOM 386 O ALA A 26 23.209 11.682 -19.587 1.00 32.34 O ATOM 387 CB ALA A 26 23.271 13.739 -22.191 1.00 73.42 C ATOM 0 H ALA A 26 24.536 12.017 -23.523 1.00 71.00 H new ATOM 0 HA ALA A 26 24.822 13.127 -20.851 1.00 3.41 H new ATOM 0 HB1 ALA A 26 22.675 14.219 -21.415 1.00 73.42 H new ATOM 0 HB2 ALA A 26 23.902 14.483 -22.676 1.00 73.42 H new ATOM 0 HB3 ALA A 26 22.609 13.288 -22.930 1.00 73.42 H new ATOM 393 N GLU A 27 22.644 10.757 -21.559 1.00 34.53 N ATOM 394 CA GLU A 27 21.789 9.738 -20.960 1.00 23.30 C ATOM 395 C GLU A 27 22.524 8.998 -19.845 1.00 53.41 C ATOM 396 O GLU A 27 22.020 8.881 -18.727 1.00 44.41 O ATOM 397 CB GLU A 27 21.321 8.743 -22.024 1.00 43.03 C ATOM 398 CG GLU A 27 20.161 9.251 -22.864 1.00 44.10 C ATOM 399 CD GLU A 27 19.486 8.147 -23.654 1.00 53.22 C ATOM 400 OE1 GLU A 27 20.204 7.305 -24.232 1.00 2.20 O ATOM 401 OE2 GLU A 27 18.238 8.126 -23.694 1.00 74.31 O ATOM 0 H GLU A 27 22.699 10.718 -22.577 1.00 34.53 H new ATOM 0 HA GLU A 27 20.920 10.236 -20.531 1.00 23.30 H new ATOM 0 HB2 GLU A 27 22.158 8.506 -22.681 1.00 43.03 H new ATOM 0 HB3 GLU A 27 21.026 7.814 -21.536 1.00 43.03 H new ATOM 0 HG2 GLU A 27 19.428 9.728 -22.214 1.00 44.10 H new ATOM 0 HG3 GLU A 27 20.523 10.016 -23.551 1.00 44.10 H new ATOM 408 N CYS A 28 23.715 8.501 -20.158 1.00 1.40 N ATOM 409 CA CYS A 28 24.519 7.772 -19.184 1.00 21.12 C ATOM 410 C CYS A 28 24.744 8.609 -17.928 1.00 75.45 C ATOM 411 O CYS A 28 24.604 8.116 -16.809 1.00 45.23 O ATOM 412 CB CYS A 28 25.864 7.377 -19.795 1.00 60.41 C ATOM 413 SG CYS A 28 25.730 6.504 -21.373 1.00 73.00 S ATOM 0 H CYS A 28 24.145 8.589 -21.079 1.00 1.40 H new ATOM 0 HA CYS A 28 23.976 6.869 -18.905 1.00 21.12 H new ATOM 0 HB2 CYS A 28 26.463 8.276 -19.939 1.00 60.41 H new ATOM 0 HB3 CYS A 28 26.401 6.746 -19.087 1.00 60.41 H new ATOM 0 HG CYS A 28 25.312 7.326 -22.289 1.00 73.00 H new ATOM 419 N ALA A 29 25.093 9.876 -18.123 1.00 61.01 N ATOM 420 CA ALA A 29 25.337 10.781 -17.007 1.00 13.21 C ATOM 421 C ALA A 29 24.090 10.935 -16.142 1.00 71.34 C ATOM 422 O ALA A 29 24.163 10.874 -14.915 1.00 74.24 O ATOM 423 CB ALA A 29 25.797 12.138 -17.519 1.00 13.23 C ATOM 0 H ALA A 29 25.213 10.299 -19.043 1.00 61.01 H new ATOM 0 HA ALA A 29 26.125 10.352 -16.389 1.00 13.21 H new ATOM 0 HB1 ALA A 29 25.976 12.804 -16.675 1.00 13.23 H new ATOM 0 HB2 ALA A 29 26.719 12.019 -18.088 1.00 13.23 H new ATOM 0 HB3 ALA A 29 25.027 12.565 -18.161 1.00 13.23 H new ATOM 429 N ALA A 30 22.947 11.135 -16.790 1.00 60.35 N ATOM 430 CA ALA A 30 21.684 11.296 -16.080 1.00 63.44 C ATOM 431 C ALA A 30 21.386 10.081 -15.208 1.00 60.45 C ATOM 432 O ALA A 30 20.892 10.214 -14.089 1.00 22.15 O ATOM 433 CB ALA A 30 20.550 11.531 -17.067 1.00 62.31 C ATOM 0 H ALA A 30 22.870 11.189 -17.806 1.00 60.35 H new ATOM 0 HA ALA A 30 21.770 12.166 -15.429 1.00 63.44 H new ATOM 0 HB1 ALA A 30 19.613 11.649 -16.523 1.00 62.31 H new ATOM 0 HB2 ALA A 30 20.751 12.434 -17.644 1.00 62.31 H new ATOM 0 HB3 ALA A 30 20.472 10.679 -17.742 1.00 62.31 H new ATOM 439 N PHE A 31 21.688 8.896 -15.729 1.00 62.12 N ATOM 440 CA PHE A 31 21.451 7.657 -14.998 1.00 73.44 C ATOM 441 C PHE A 31 22.345 7.573 -13.765 1.00 33.23 C ATOM 442 O PHE A 31 21.881 7.255 -12.670 1.00 54.42 O ATOM 443 CB PHE A 31 21.699 6.449 -15.905 1.00 41.41 C ATOM 444 CG PHE A 31 20.965 6.521 -17.213 1.00 51.25 C ATOM 445 CD1 PHE A 31 19.692 7.063 -17.280 1.00 15.34 C ATOM 446 CD2 PHE A 31 21.548 6.046 -18.377 1.00 50.01 C ATOM 447 CE1 PHE A 31 19.013 7.131 -18.482 1.00 43.31 C ATOM 448 CE2 PHE A 31 20.875 6.112 -19.582 1.00 72.34 C ATOM 449 CZ PHE A 31 19.605 6.654 -19.635 1.00 25.22 C ATOM 0 H PHE A 31 22.097 8.768 -16.654 1.00 62.12 H new ATOM 0 HA PHE A 31 20.411 7.651 -14.672 1.00 73.44 H new ATOM 0 HB2 PHE A 31 22.768 6.366 -16.101 1.00 41.41 H new ATOM 0 HB3 PHE A 31 21.400 5.542 -15.379 1.00 41.41 H new ATOM 0 HD1 PHE A 31 19.224 7.437 -16.381 1.00 15.34 H new ATOM 0 HD2 PHE A 31 22.540 5.619 -18.342 1.00 50.01 H new ATOM 0 HE1 PHE A 31 18.021 7.556 -18.520 1.00 43.31 H new ATOM 0 HE2 PHE A 31 21.341 5.740 -20.482 1.00 72.34 H new ATOM 0 HZ PHE A 31 19.077 6.704 -20.576 1.00 25.22 H new ATOM 459 N GLU A 32 23.629 7.859 -13.952 1.00 3.35 N ATOM 460 CA GLU A 32 24.589 7.815 -12.854 1.00 74.12 C ATOM 461 C GLU A 32 24.152 8.728 -11.713 1.00 0.45 C ATOM 462 O GLU A 32 24.165 8.334 -10.546 1.00 71.24 O ATOM 463 CB GLU A 32 25.979 8.224 -13.346 1.00 32.41 C ATOM 464 CG GLU A 32 26.983 7.083 -13.350 1.00 75.12 C ATOM 465 CD GLU A 32 28.167 7.344 -12.440 1.00 14.24 C ATOM 466 OE1 GLU A 32 28.076 7.016 -11.238 1.00 72.24 O ATOM 467 OE2 GLU A 32 29.184 7.877 -12.929 1.00 44.23 O ATOM 0 H GLU A 32 24.029 8.123 -14.852 1.00 3.35 H new ATOM 0 HA GLU A 32 24.630 6.791 -12.482 1.00 74.12 H new ATOM 0 HB2 GLU A 32 25.894 8.626 -14.356 1.00 32.41 H new ATOM 0 HB3 GLU A 32 26.357 9.027 -12.714 1.00 32.41 H new ATOM 0 HG2 GLU A 32 26.485 6.165 -13.038 1.00 75.12 H new ATOM 0 HG3 GLU A 32 27.340 6.922 -14.367 1.00 75.12 H new ATOM 474 N LYS A 33 23.766 9.952 -12.057 1.00 1.43 N ATOM 475 CA LYS A 33 23.325 10.924 -11.063 1.00 34.31 C ATOM 476 C LYS A 33 21.995 10.503 -10.444 1.00 43.11 C ATOM 477 O LYS A 33 21.892 10.334 -9.230 1.00 24.53 O ATOM 478 CB LYS A 33 23.187 12.309 -11.699 1.00 64.32 C ATOM 479 CG LYS A 33 24.255 13.292 -11.251 1.00 51.15 C ATOM 480 CD LYS A 33 24.515 14.352 -12.309 1.00 23.03 C ATOM 481 CE LYS A 33 24.996 15.654 -11.686 1.00 64.23 C ATOM 482 NZ LYS A 33 23.898 16.653 -11.571 1.00 70.31 N ATOM 0 H LYS A 33 23.750 10.295 -13.018 1.00 1.43 H new ATOM 0 HA LYS A 33 24.077 10.966 -10.275 1.00 34.31 H new ATOM 0 HB2 LYS A 33 23.230 12.208 -12.783 1.00 64.32 H new ATOM 0 HB3 LYS A 33 22.205 12.716 -11.455 1.00 64.32 H new ATOM 0 HG2 LYS A 33 23.944 13.771 -10.323 1.00 51.15 H new ATOM 0 HG3 LYS A 33 25.179 12.755 -11.038 1.00 51.15 H new ATOM 0 HD2 LYS A 33 25.261 13.988 -13.015 1.00 23.03 H new ATOM 0 HD3 LYS A 33 23.602 14.534 -12.876 1.00 23.03 H new ATOM 0 HE2 LYS A 33 25.409 15.453 -10.697 1.00 64.23 H new ATOM 0 HE3 LYS A 33 25.803 16.069 -12.290 1.00 64.23 H new ATOM 0 HZ1 LYS A 33 24.266 17.526 -11.142 1.00 70.31 H new ATOM 0 HZ2 LYS A 33 23.521 16.865 -12.517 1.00 70.31 H new ATOM 0 HZ3 LYS A 33 23.139 16.267 -10.974 1.00 70.31 H new ATOM 496 N GLU A 34 20.982 10.335 -11.288 1.00 13.33 N ATOM 497 CA GLU A 34 19.660 9.934 -10.822 1.00 34.42 C ATOM 498 C GLU A 34 19.749 8.700 -9.928 1.00 3.23 C ATOM 499 O GLU A 34 19.168 8.664 -8.843 1.00 33.41 O ATOM 500 CB GLU A 34 18.740 9.649 -12.011 1.00 60.03 C ATOM 501 CG GLU A 34 18.377 10.889 -12.810 1.00 52.33 C ATOM 502 CD GLU A 34 17.903 10.562 -14.213 1.00 63.40 C ATOM 503 OE1 GLU A 34 17.484 9.408 -14.443 1.00 22.34 O ATOM 504 OE2 GLU A 34 17.952 11.458 -15.081 1.00 12.12 O ATOM 0 H GLU A 34 21.051 10.470 -12.297 1.00 13.33 H new ATOM 0 HA GLU A 34 19.245 10.756 -10.239 1.00 34.42 H new ATOM 0 HB2 GLU A 34 19.226 8.931 -12.671 1.00 60.03 H new ATOM 0 HB3 GLU A 34 17.825 9.180 -11.648 1.00 60.03 H new ATOM 0 HG2 GLU A 34 17.595 11.438 -12.285 1.00 52.33 H new ATOM 0 HG3 GLU A 34 19.245 11.546 -12.868 1.00 52.33 H new ATOM 511 N ILE A 35 20.481 7.693 -10.391 1.00 71.34 N ATOM 512 CA ILE A 35 20.647 6.458 -9.634 1.00 42.32 C ATOM 513 C ILE A 35 21.354 6.718 -8.308 1.00 62.22 C ATOM 514 O ILE A 35 20.965 6.182 -7.271 1.00 4.23 O ATOM 515 CB ILE A 35 21.446 5.411 -10.433 1.00 1.43 C ATOM 516 CG1 ILE A 35 20.620 4.901 -11.616 1.00 4.34 C ATOM 517 CG2 ILE A 35 21.857 4.258 -9.530 1.00 64.32 C ATOM 518 CD1 ILE A 35 19.427 4.068 -11.205 1.00 31.33 C ATOM 0 H ILE A 35 20.969 7.708 -11.287 1.00 71.34 H new ATOM 0 HA ILE A 35 19.647 6.069 -9.440 1.00 42.32 H new ATOM 0 HB ILE A 35 22.349 5.882 -10.822 1.00 1.43 H new ATOM 0 HG12 ILE A 35 20.274 5.753 -12.201 1.00 4.34 H new ATOM 0 HG13 ILE A 35 21.261 4.307 -12.267 1.00 4.34 H new ATOM 0 HG21 ILE A 35 22.421 3.526 -10.108 1.00 64.32 H new ATOM 0 HG22 ILE A 35 22.479 4.635 -8.718 1.00 64.32 H new ATOM 0 HG23 ILE A 35 20.967 3.785 -9.116 1.00 64.32 H new ATOM 0 HD11 ILE A 35 18.888 3.741 -12.094 1.00 31.33 H new ATOM 0 HD12 ILE A 35 19.767 3.197 -10.645 1.00 31.33 H new ATOM 0 HD13 ILE A 35 18.765 4.665 -10.579 1.00 31.33 H new ATOM 530 N ALA A 36 22.394 7.545 -8.350 1.00 72.41 N ATOM 531 CA ALA A 36 23.153 7.879 -7.151 1.00 72.34 C ATOM 532 C ALA A 36 22.243 8.442 -6.065 1.00 22.23 C ATOM 533 O ALA A 36 22.300 8.015 -4.912 1.00 73.30 O ATOM 534 CB ALA A 36 24.257 8.871 -7.485 1.00 55.43 C ATOM 0 H ALA A 36 22.730 7.996 -9.201 1.00 72.41 H new ATOM 0 HA ALA A 36 23.606 6.964 -6.770 1.00 72.34 H new ATOM 0 HB1 ALA A 36 24.816 9.112 -6.581 1.00 55.43 H new ATOM 0 HB2 ALA A 36 24.930 8.432 -8.221 1.00 55.43 H new ATOM 0 HB3 ALA A 36 23.817 9.781 -7.893 1.00 55.43 H new ATOM 540 N ALA A 37 21.406 9.403 -6.440 1.00 11.21 N ATOM 541 CA ALA A 37 20.483 10.024 -5.497 1.00 64.42 C ATOM 542 C ALA A 37 19.440 9.024 -5.012 1.00 34.44 C ATOM 543 O ALA A 37 19.032 9.051 -3.850 1.00 65.30 O ATOM 544 CB ALA A 37 19.807 11.228 -6.136 1.00 33.43 C ATOM 0 H ALA A 37 21.348 9.769 -7.390 1.00 11.21 H new ATOM 0 HA ALA A 37 21.056 10.360 -4.632 1.00 64.42 H new ATOM 0 HB1 ALA A 37 19.121 11.682 -5.421 1.00 33.43 H new ATOM 0 HB2 ALA A 37 20.563 11.958 -6.427 1.00 33.43 H new ATOM 0 HB3 ALA A 37 19.253 10.908 -7.018 1.00 33.43 H new ATOM 550 N PHE A 38 19.009 8.142 -5.908 1.00 44.12 N ATOM 551 CA PHE A 38 18.011 7.134 -5.571 1.00 62.11 C ATOM 552 C PHE A 38 18.498 6.246 -4.430 1.00 4.45 C ATOM 553 O PHE A 38 17.828 6.110 -3.407 1.00 31.21 O ATOM 554 CB PHE A 38 17.688 6.276 -6.796 1.00 54.43 C ATOM 555 CG PHE A 38 16.346 6.577 -7.401 1.00 31.22 C ATOM 556 CD1 PHE A 38 16.013 7.869 -7.774 1.00 63.05 C ATOM 557 CD2 PHE A 38 15.417 5.567 -7.596 1.00 44.00 C ATOM 558 CE1 PHE A 38 14.779 8.148 -8.330 1.00 40.12 C ATOM 559 CE2 PHE A 38 14.182 5.840 -8.152 1.00 14.13 C ATOM 560 CZ PHE A 38 13.863 7.132 -8.520 1.00 54.32 C ATOM 0 H PHE A 38 19.336 8.105 -6.874 1.00 44.12 H new ATOM 0 HA PHE A 38 17.107 7.649 -5.247 1.00 62.11 H new ATOM 0 HB2 PHE A 38 18.460 6.428 -7.550 1.00 54.43 H new ATOM 0 HB3 PHE A 38 17.722 5.224 -6.512 1.00 54.43 H new ATOM 0 HD1 PHE A 38 16.726 8.667 -7.629 1.00 63.05 H new ATOM 0 HD2 PHE A 38 15.661 4.555 -7.310 1.00 44.00 H new ATOM 0 HE1 PHE A 38 14.531 9.160 -8.616 1.00 40.12 H new ATOM 0 HE2 PHE A 38 13.467 5.044 -8.299 1.00 14.13 H new ATOM 0 HZ PHE A 38 12.899 7.348 -8.956 1.00 54.32 H new ATOM 570 N GLU A 39 19.670 5.645 -4.614 1.00 12.44 N ATOM 571 CA GLU A 39 20.246 4.770 -3.600 1.00 21.11 C ATOM 572 C GLU A 39 20.524 5.539 -2.311 1.00 70.33 C ATOM 573 O GLU A 39 20.291 5.035 -1.213 1.00 21.23 O ATOM 574 CB GLU A 39 21.539 4.136 -4.117 1.00 71.41 C ATOM 575 CG GLU A 39 22.573 5.150 -4.576 1.00 23.32 C ATOM 576 CD GLU A 39 23.822 4.497 -5.136 1.00 22.24 C ATOM 577 OE1 GLU A 39 23.736 3.880 -6.218 1.00 34.33 O ATOM 578 OE2 GLU A 39 24.887 4.604 -4.491 1.00 35.51 O ATOM 0 H GLU A 39 20.238 5.748 -5.455 1.00 12.44 H new ATOM 0 HA GLU A 39 19.524 3.982 -3.384 1.00 21.11 H new ATOM 0 HB2 GLU A 39 21.972 3.520 -3.329 1.00 71.41 H new ATOM 0 HB3 GLU A 39 21.301 3.471 -4.947 1.00 71.41 H new ATOM 0 HG2 GLU A 39 22.132 5.794 -5.337 1.00 23.32 H new ATOM 0 HG3 GLU A 39 22.847 5.789 -3.737 1.00 23.32 H new ATOM 585 N SER A 40 21.024 6.762 -2.455 1.00 61.21 N ATOM 586 CA SER A 40 21.338 7.599 -1.303 1.00 43.45 C ATOM 587 C SER A 40 20.072 7.963 -0.535 1.00 12.24 C ATOM 588 O SER A 40 20.087 8.070 0.691 1.00 33.31 O ATOM 589 CB SER A 40 22.059 8.872 -1.753 1.00 71.11 C ATOM 590 OG SER A 40 22.261 9.755 -0.664 1.00 3.32 O ATOM 0 H SER A 40 21.220 7.195 -3.357 1.00 61.21 H new ATOM 0 HA SER A 40 21.993 7.033 -0.641 1.00 43.45 H new ATOM 0 HB2 SER A 40 23.020 8.612 -2.197 1.00 71.11 H new ATOM 0 HB3 SER A 40 21.475 9.371 -2.526 1.00 71.11 H new ATOM 0 HG SER A 40 22.725 10.560 -0.977 1.00 3.32 H new ATOM 596 N GLU A 41 18.977 8.153 -1.265 1.00 64.41 N ATOM 597 CA GLU A 41 17.702 8.505 -0.652 1.00 42.51 C ATOM 598 C GLU A 41 17.006 7.268 -0.094 1.00 74.44 C ATOM 599 O GLU A 41 16.198 7.360 0.831 1.00 20.41 O ATOM 600 CB GLU A 41 16.796 9.199 -1.671 1.00 75.44 C ATOM 601 CG GLU A 41 16.947 10.710 -1.692 1.00 11.33 C ATOM 602 CD GLU A 41 16.475 11.361 -0.406 1.00 10.20 C ATOM 603 OE1 GLU A 41 15.670 10.735 0.315 1.00 60.33 O ATOM 604 OE2 GLU A 41 16.910 12.496 -0.121 1.00 11.34 O ATOM 0 H GLU A 41 18.948 8.069 -2.281 1.00 64.41 H new ATOM 0 HA GLU A 41 17.901 9.190 0.172 1.00 42.51 H new ATOM 0 HB2 GLU A 41 17.014 8.807 -2.664 1.00 75.44 H new ATOM 0 HB3 GLU A 41 15.758 8.949 -1.451 1.00 75.44 H new ATOM 0 HG2 GLU A 41 17.993 10.965 -1.861 1.00 11.33 H new ATOM 0 HG3 GLU A 41 16.381 11.116 -2.530 1.00 11.33 H new ATOM 611 N LEU A 42 17.323 6.110 -0.664 1.00 43.30 N ATOM 612 CA LEU A 42 16.728 4.853 -0.225 1.00 64.31 C ATOM 613 C LEU A 42 17.390 4.355 1.056 1.00 64.02 C ATOM 614 O LEU A 42 16.743 3.734 1.898 1.00 24.25 O ATOM 615 CB LEU A 42 16.856 3.795 -1.323 1.00 12.02 C ATOM 616 CG LEU A 42 15.999 4.015 -2.570 1.00 12.32 C ATOM 617 CD1 LEU A 42 16.668 3.405 -3.792 1.00 13.22 C ATOM 618 CD2 LEU A 42 14.609 3.429 -2.372 1.00 74.00 C ATOM 0 H LEU A 42 17.989 6.016 -1.431 1.00 43.30 H new ATOM 0 HA LEU A 42 15.672 5.031 -0.021 1.00 64.31 H new ATOM 0 HB2 LEU A 42 17.901 3.743 -1.629 1.00 12.02 H new ATOM 0 HB3 LEU A 42 16.600 2.825 -0.897 1.00 12.02 H new ATOM 0 HG LEU A 42 15.899 5.088 -2.734 1.00 12.32 H new ATOM 0 HD11 LEU A 42 16.044 3.571 -4.670 1.00 13.22 H new ATOM 0 HD12 LEU A 42 17.641 3.872 -3.945 1.00 13.22 H new ATOM 0 HD13 LEU A 42 16.800 2.334 -3.638 1.00 13.22 H new ATOM 0 HD21 LEU A 42 14.013 3.595 -3.269 1.00 74.00 H new ATOM 0 HD22 LEU A 42 14.689 2.359 -2.182 1.00 74.00 H new ATOM 0 HD23 LEU A 42 14.128 3.913 -1.522 1.00 74.00 H new ATOM 630 N GLN A 43 18.682 4.634 1.195 1.00 3.22 N ATOM 631 CA GLN A 43 19.431 4.216 2.374 1.00 31.25 C ATOM 632 C GLN A 43 19.033 5.042 3.593 1.00 31.33 C ATOM 633 O GLN A 43 19.273 4.641 4.732 1.00 54.02 O ATOM 634 CB GLN A 43 20.934 4.347 2.123 1.00 21.14 C ATOM 635 CG GLN A 43 21.433 5.783 2.153 1.00 72.31 C ATOM 636 CD GLN A 43 22.364 6.053 3.318 1.00 42.20 C ATOM 637 OE1 GLN A 43 21.919 6.339 4.430 1.00 43.20 O ATOM 638 NE2 GLN A 43 23.665 5.964 3.069 1.00 25.10 N ATOM 0 H GLN A 43 19.232 5.148 0.506 1.00 3.22 H new ATOM 0 HA GLN A 43 19.193 3.171 2.572 1.00 31.25 H new ATOM 0 HB2 GLN A 43 21.471 3.769 2.875 1.00 21.14 H new ATOM 0 HB3 GLN A 43 21.172 3.909 1.154 1.00 21.14 H new ATOM 0 HG2 GLN A 43 21.952 6.003 1.220 1.00 72.31 H new ATOM 0 HG3 GLN A 43 20.580 6.459 2.210 1.00 72.31 H new ATOM 0 HE21 GLN A 43 23.990 5.724 2.132 1.00 25.10 H new ATOM 0 HE22 GLN A 43 24.340 6.135 3.814 1.00 25.10 H new ATOM 647 N ALA A 44 18.424 6.197 3.346 1.00 61.11 N ATOM 648 CA ALA A 44 17.991 7.078 4.423 1.00 5.41 C ATOM 649 C ALA A 44 16.688 6.587 5.044 1.00 3.44 C ATOM 650 O ALA A 44 16.405 6.858 6.212 1.00 63.32 O ATOM 651 CB ALA A 44 17.830 8.501 3.908 1.00 11.02 C ATOM 0 H ALA A 44 18.219 6.544 2.409 1.00 61.11 H new ATOM 0 HA ALA A 44 18.758 7.068 5.198 1.00 5.41 H new ATOM 0 HB1 ALA A 44 17.506 9.148 4.723 1.00 11.02 H new ATOM 0 HB2 ALA A 44 18.784 8.857 3.519 1.00 11.02 H new ATOM 0 HB3 ALA A 44 17.085 8.518 3.113 1.00 11.02 H new ATOM 657 N TYR A 45 15.898 5.866 4.257 1.00 23.12 N ATOM 658 CA TYR A 45 14.623 5.340 4.730 1.00 60.15 C ATOM 659 C TYR A 45 14.801 4.569 6.034 1.00 62.22 C ATOM 660 O TYR A 45 13.932 4.589 6.905 1.00 12.13 O ATOM 661 CB TYR A 45 13.997 4.432 3.669 1.00 45.41 C ATOM 662 CG TYR A 45 13.222 5.184 2.610 1.00 30.54 C ATOM 663 CD1 TYR A 45 12.276 6.139 2.961 1.00 73.54 C ATOM 664 CD2 TYR A 45 13.437 4.939 1.259 1.00 35.45 C ATOM 665 CE1 TYR A 45 11.564 6.826 1.997 1.00 44.43 C ATOM 666 CE2 TYR A 45 12.731 5.623 0.289 1.00 71.24 C ATOM 667 CZ TYR A 45 11.796 6.565 0.662 1.00 13.33 C ATOM 668 OH TYR A 45 11.090 7.249 -0.301 1.00 2.40 O ATOM 0 H TYR A 45 16.118 5.632 3.289 1.00 23.12 H new ATOM 0 HA TYR A 45 13.958 6.183 4.916 1.00 60.15 H new ATOM 0 HB2 TYR A 45 14.785 3.852 3.188 1.00 45.41 H new ATOM 0 HB3 TYR A 45 13.331 3.721 4.158 1.00 45.41 H new ATOM 0 HD1 TYR A 45 12.094 6.348 4.005 1.00 73.54 H new ATOM 0 HD2 TYR A 45 14.168 4.202 0.963 1.00 35.45 H new ATOM 0 HE1 TYR A 45 10.830 7.563 2.287 1.00 44.43 H new ATOM 0 HE2 TYR A 45 12.910 5.421 -0.757 1.00 71.24 H new ATOM 0 HH TYR A 45 11.373 6.948 -1.190 1.00 2.40 H new ATOM 678 N LYS A 46 15.936 3.889 6.161 1.00 32.01 N ATOM 679 CA LYS A 46 16.232 3.112 7.359 1.00 63.34 C ATOM 680 C LYS A 46 15.233 1.972 7.528 1.00 21.34 C ATOM 681 O LYS A 46 15.066 1.438 8.624 1.00 21.12 O ATOM 682 CB LYS A 46 16.209 4.013 8.595 1.00 21.23 C ATOM 683 CG LYS A 46 17.548 4.105 9.306 1.00 44.34 C ATOM 684 CD LYS A 46 17.374 4.309 10.801 1.00 15.32 C ATOM 685 CE LYS A 46 18.713 4.336 11.520 1.00 4.35 C ATOM 686 NZ LYS A 46 18.548 4.434 12.997 1.00 23.33 N ATOM 0 H LYS A 46 16.666 3.860 5.449 1.00 32.01 H new ATOM 0 HA LYS A 46 17.229 2.685 7.248 1.00 63.34 H new ATOM 0 HB2 LYS A 46 15.895 5.014 8.299 1.00 21.23 H new ATOM 0 HB3 LYS A 46 15.461 3.638 9.294 1.00 21.23 H new ATOM 0 HG2 LYS A 46 18.119 3.194 9.126 1.00 44.34 H new ATOM 0 HG3 LYS A 46 18.125 4.931 8.890 1.00 44.34 H new ATOM 0 HD2 LYS A 46 16.844 5.244 10.982 1.00 15.32 H new ATOM 0 HD3 LYS A 46 16.757 3.508 11.209 1.00 15.32 H new ATOM 0 HE2 LYS A 46 19.274 3.434 11.276 1.00 4.35 H new ATOM 0 HE3 LYS A 46 19.300 5.182 11.163 1.00 4.35 H new ATOM 0 HZ1 LYS A 46 19.484 4.450 13.451 1.00 23.33 H new ATOM 0 HZ2 LYS A 46 18.035 5.308 13.232 1.00 23.33 H new ATOM 0 HZ3 LYS A 46 18.010 3.613 13.341 1.00 23.33 H new ATOM 700 N GLY A 47 14.572 1.602 6.436 1.00 53.44 N ATOM 701 CA GLY A 47 13.599 0.527 6.485 1.00 34.04 C ATOM 702 C GLY A 47 14.113 -0.750 5.852 1.00 23.52 C ATOM 703 O GLY A 47 13.362 -1.476 5.201 1.00 71.41 O ATOM 0 H GLY A 47 14.693 2.028 5.517 1.00 53.44 H new ATOM 0 HA2 GLY A 47 13.330 0.332 7.523 1.00 34.04 H new ATOM 0 HA3 GLY A 47 12.689 0.841 5.974 1.00 34.04 H new ATOM 707 N LYS A 48 15.399 -1.026 6.041 1.00 22.35 N ATOM 708 CA LYS A 48 16.015 -2.224 5.484 1.00 23.51 C ATOM 709 C LYS A 48 15.315 -3.482 5.990 1.00 41.25 C ATOM 710 O LYS A 48 15.403 -4.543 5.373 1.00 33.04 O ATOM 711 CB LYS A 48 17.501 -2.275 5.847 1.00 42.33 C ATOM 712 CG LYS A 48 18.344 -3.052 4.851 1.00 24.52 C ATOM 713 CD LYS A 48 19.667 -3.486 5.460 1.00 63.32 C ATOM 714 CE LYS A 48 20.834 -2.708 4.871 1.00 53.13 C ATOM 715 NZ LYS A 48 21.239 -3.239 3.540 1.00 51.54 N ATOM 0 H LYS A 48 16.035 -0.435 6.576 1.00 22.35 H new ATOM 0 HA LYS A 48 15.913 -2.183 4.400 1.00 23.51 H new ATOM 0 HB2 LYS A 48 17.884 -1.257 5.918 1.00 42.33 H new ATOM 0 HB3 LYS A 48 17.610 -2.727 6.833 1.00 42.33 H new ATOM 0 HG2 LYS A 48 17.793 -3.929 4.513 1.00 24.52 H new ATOM 0 HG3 LYS A 48 18.532 -2.435 3.972 1.00 24.52 H new ATOM 0 HD2 LYS A 48 19.638 -3.338 6.540 1.00 63.32 H new ATOM 0 HD3 LYS A 48 19.815 -4.552 5.288 1.00 63.32 H new ATOM 0 HE2 LYS A 48 20.559 -1.658 4.775 1.00 53.13 H new ATOM 0 HE3 LYS A 48 21.682 -2.754 5.554 1.00 53.13 H new ATOM 0 HZ1 LYS A 48 22.037 -2.682 3.172 1.00 51.54 H new ATOM 0 HZ2 LYS A 48 21.526 -4.234 3.636 1.00 51.54 H new ATOM 0 HZ3 LYS A 48 20.437 -3.172 2.881 1.00 51.54 H new ATOM 729 N GLY A 49 14.618 -3.354 7.115 1.00 65.21 N ATOM 730 CA GLY A 49 13.912 -4.488 7.683 1.00 43.32 C ATOM 731 C GLY A 49 13.013 -5.175 6.675 1.00 55.54 C ATOM 732 O GLY A 49 12.754 -6.373 6.779 1.00 54.41 O ATOM 0 H GLY A 49 14.530 -2.486 7.643 1.00 65.21 H new ATOM 0 HA2 GLY A 49 14.635 -5.206 8.069 1.00 43.32 H new ATOM 0 HA3 GLY A 49 13.313 -4.152 8.530 1.00 43.32 H new ATOM 736 N ASN A 50 12.533 -4.413 5.696 1.00 23.22 N ATOM 737 CA ASN A 50 11.655 -4.956 4.666 1.00 0.40 C ATOM 738 C ASN A 50 12.372 -5.026 3.321 1.00 3.23 C ATOM 739 O ASN A 50 13.350 -4.320 3.074 1.00 51.45 O ATOM 740 CB ASN A 50 10.393 -4.099 4.540 1.00 63.44 C ATOM 741 CG ASN A 50 9.376 -4.406 5.622 1.00 51.24 C ATOM 742 OD1 ASN A 50 9.171 -3.611 6.539 1.00 33.12 O ATOM 743 ND2 ASN A 50 8.733 -5.563 5.518 1.00 21.34 N ATOM 0 H ASN A 50 12.737 -3.419 5.595 1.00 23.22 H new ATOM 0 HA ASN A 50 11.373 -5.967 4.960 1.00 0.40 H new ATOM 0 HB2 ASN A 50 10.666 -3.045 4.590 1.00 63.44 H new ATOM 0 HB3 ASN A 50 9.941 -4.265 3.562 1.00 63.44 H new ATOM 0 HD21 ASN A 50 8.036 -5.824 6.216 1.00 21.34 H new ATOM 0 HD22 ASN A 50 8.936 -6.191 4.740 1.00 21.34 H new ATOM 750 N PRO A 51 11.876 -5.898 2.431 1.00 42.41 N ATOM 751 CA PRO A 51 12.453 -6.080 1.096 1.00 63.32 C ATOM 752 C PRO A 51 12.219 -4.874 0.193 1.00 73.32 C ATOM 753 O PRO A 51 12.866 -4.729 -0.844 1.00 35.11 O ATOM 754 CB PRO A 51 11.713 -7.306 0.554 1.00 3.12 C ATOM 755 CG PRO A 51 10.419 -7.323 1.291 1.00 54.10 C ATOM 756 CD PRO A 51 10.713 -6.772 2.659 1.00 42.34 C ATOM 0 HA PRO A 51 13.536 -6.200 1.133 1.00 63.32 H new ATOM 0 HB2 PRO A 51 11.555 -7.230 -0.522 1.00 3.12 H new ATOM 0 HB3 PRO A 51 12.280 -8.220 0.729 1.00 3.12 H new ATOM 0 HG2 PRO A 51 9.671 -6.718 0.779 1.00 54.10 H new ATOM 0 HG3 PRO A 51 10.020 -8.335 1.356 1.00 54.10 H new ATOM 0 HD2 PRO A 51 9.865 -6.216 3.059 1.00 42.34 H new ATOM 0 HD3 PRO A 51 10.940 -7.565 3.372 1.00 42.34 H new ATOM 764 N GLU A 52 11.290 -4.012 0.594 1.00 11.11 N ATOM 765 CA GLU A 52 10.971 -2.818 -0.181 1.00 32.54 C ATOM 766 C GLU A 52 12.237 -2.039 -0.525 1.00 14.33 C ATOM 767 O GLU A 52 12.453 -1.661 -1.676 1.00 61.54 O ATOM 768 CB GLU A 52 10.002 -1.923 0.595 1.00 24.55 C ATOM 769 CG GLU A 52 10.452 -1.629 2.017 1.00 51.24 C ATOM 770 CD GLU A 52 9.356 -1.004 2.858 1.00 74.14 C ATOM 771 OE1 GLU A 52 8.280 -0.702 2.299 1.00 1.53 O ATOM 772 OE2 GLU A 52 9.573 -0.818 4.073 1.00 52.50 O ATOM 0 H GLU A 52 10.745 -4.118 1.450 1.00 11.11 H new ATOM 0 HA GLU A 52 10.496 -3.134 -1.110 1.00 32.54 H new ATOM 0 HB2 GLU A 52 9.881 -0.982 0.059 1.00 24.55 H new ATOM 0 HB3 GLU A 52 9.023 -2.401 0.624 1.00 24.55 H new ATOM 0 HG2 GLU A 52 10.783 -2.555 2.488 1.00 51.24 H new ATOM 0 HG3 GLU A 52 11.312 -0.959 1.991 1.00 51.24 H new ATOM 779 N VAL A 53 13.070 -1.800 0.483 1.00 11.11 N ATOM 780 CA VAL A 53 14.314 -1.066 0.289 1.00 44.35 C ATOM 781 C VAL A 53 15.406 -1.973 -0.268 1.00 3.32 C ATOM 782 O VAL A 53 16.383 -1.500 -0.848 1.00 51.11 O ATOM 783 CB VAL A 53 14.807 -0.436 1.605 1.00 34.44 C ATOM 784 CG1 VAL A 53 15.990 0.483 1.348 1.00 4.41 C ATOM 785 CG2 VAL A 53 13.676 0.315 2.291 1.00 11.53 C ATOM 0 H VAL A 53 12.905 -2.104 1.443 1.00 11.11 H new ATOM 0 HA VAL A 53 14.104 -0.272 -0.428 1.00 44.35 H new ATOM 0 HB VAL A 53 15.138 -1.235 2.269 1.00 34.44 H new ATOM 0 HG11 VAL A 53 16.324 0.918 2.290 1.00 4.41 H new ATOM 0 HG12 VAL A 53 16.805 -0.088 0.903 1.00 4.41 H new ATOM 0 HG13 VAL A 53 15.691 1.279 0.666 1.00 4.41 H new ATOM 0 HG21 VAL A 53 14.041 0.754 3.219 1.00 11.53 H new ATOM 0 HG22 VAL A 53 13.313 1.105 1.634 1.00 11.53 H new ATOM 0 HG23 VAL A 53 12.862 -0.376 2.512 1.00 11.53 H new ATOM 795 N GLU A 54 15.233 -3.278 -0.087 1.00 32.23 N ATOM 796 CA GLU A 54 16.205 -4.252 -0.571 1.00 14.41 C ATOM 797 C GLU A 54 16.216 -4.297 -2.096 1.00 51.22 C ATOM 798 O GLU A 54 17.274 -4.241 -2.722 1.00 2.45 O ATOM 799 CB GLU A 54 15.891 -5.641 -0.011 1.00 11.51 C ATOM 800 CG GLU A 54 16.039 -5.736 1.498 1.00 32.03 C ATOM 801 CD GLU A 54 16.178 -7.167 1.981 1.00 2.45 C ATOM 802 OE1 GLU A 54 16.825 -7.970 1.279 1.00 63.55 O ATOM 803 OE2 GLU A 54 15.640 -7.482 3.064 1.00 51.35 O ATOM 0 H GLU A 54 14.429 -3.686 0.391 1.00 32.23 H new ATOM 0 HA GLU A 54 17.192 -3.944 -0.226 1.00 14.41 H new ATOM 0 HB2 GLU A 54 14.872 -5.912 -0.286 1.00 11.51 H new ATOM 0 HB3 GLU A 54 16.552 -6.370 -0.479 1.00 11.51 H new ATOM 0 HG2 GLU A 54 16.913 -5.164 1.810 1.00 32.03 H new ATOM 0 HG3 GLU A 54 15.172 -5.278 1.974 1.00 32.03 H new ATOM 810 N ALA A 55 15.030 -4.399 -2.688 1.00 23.21 N ATOM 811 CA ALA A 55 14.903 -4.451 -4.139 1.00 53.40 C ATOM 812 C ALA A 55 15.276 -3.114 -4.771 1.00 15.44 C ATOM 813 O ALA A 55 16.016 -3.065 -5.754 1.00 0.43 O ATOM 814 CB ALA A 55 13.486 -4.845 -4.531 1.00 3.23 C ATOM 0 H ALA A 55 14.144 -4.447 -2.185 1.00 23.21 H new ATOM 0 HA ALA A 55 15.595 -5.206 -4.513 1.00 53.40 H new ATOM 0 HB1 ALA A 55 13.405 -4.880 -5.617 1.00 3.23 H new ATOM 0 HB2 ALA A 55 13.254 -5.827 -4.118 1.00 3.23 H new ATOM 0 HB3 ALA A 55 12.782 -4.111 -4.138 1.00 3.23 H new ATOM 820 N LEU A 56 14.758 -2.031 -4.201 1.00 10.11 N ATOM 821 CA LEU A 56 15.036 -0.692 -4.709 1.00 1.11 C ATOM 822 C LEU A 56 16.534 -0.405 -4.697 1.00 63.54 C ATOM 823 O LEU A 56 17.110 -0.018 -5.714 1.00 60.13 O ATOM 824 CB LEU A 56 14.299 0.356 -3.873 1.00 34.51 C ATOM 825 CG LEU A 56 12.968 0.851 -4.440 1.00 34.14 C ATOM 826 CD1 LEU A 56 12.148 -0.314 -4.974 1.00 4.33 C ATOM 827 CD2 LEU A 56 12.187 1.612 -3.379 1.00 13.55 C ATOM 0 H LEU A 56 14.144 -2.054 -3.387 1.00 10.11 H new ATOM 0 HA LEU A 56 14.683 -0.641 -5.739 1.00 1.11 H new ATOM 0 HB2 LEU A 56 14.117 -0.061 -2.883 1.00 34.51 H new ATOM 0 HB3 LEU A 56 14.957 1.215 -3.741 1.00 34.51 H new ATOM 0 HG LEU A 56 13.178 1.530 -5.266 1.00 34.14 H new ATOM 0 HD11 LEU A 56 11.204 0.058 -5.373 1.00 4.33 H new ATOM 0 HD12 LEU A 56 12.704 -0.818 -5.765 1.00 4.33 H new ATOM 0 HD13 LEU A 56 11.948 -1.018 -4.167 1.00 4.33 H new ATOM 0 HD21 LEU A 56 11.243 1.957 -3.800 1.00 13.55 H new ATOM 0 HD22 LEU A 56 11.988 0.955 -2.532 1.00 13.55 H new ATOM 0 HD23 LEU A 56 12.770 2.470 -3.044 1.00 13.55 H new ATOM 839 N ARG A 57 17.160 -0.601 -3.541 1.00 51.32 N ATOM 840 CA ARG A 57 18.591 -0.364 -3.398 1.00 24.32 C ATOM 841 C ARG A 57 19.390 -1.295 -4.306 1.00 32.01 C ATOM 842 O ARG A 57 20.381 -0.889 -4.912 1.00 42.35 O ATOM 843 CB ARG A 57 19.019 -0.563 -1.943 1.00 24.44 C ATOM 844 CG ARG A 57 20.285 0.192 -1.571 1.00 53.41 C ATOM 845 CD ARG A 57 20.184 0.796 -0.179 1.00 45.20 C ATOM 846 NE ARG A 57 21.259 0.335 0.696 1.00 11.22 N ATOM 847 CZ ARG A 57 21.196 0.378 2.022 1.00 33.33 C ATOM 848 NH1 ARG A 57 20.115 0.857 2.623 1.00 43.31 N ATOM 849 NH2 ARG A 57 22.215 -0.061 2.751 1.00 54.43 N ATOM 0 H ARG A 57 16.699 -0.923 -2.690 1.00 51.32 H new ATOM 0 HA ARG A 57 18.795 0.666 -3.692 1.00 24.32 H new ATOM 0 HB2 ARG A 57 18.209 -0.242 -1.288 1.00 24.44 H new ATOM 0 HB3 ARG A 57 19.174 -1.627 -1.761 1.00 24.44 H new ATOM 0 HG2 ARG A 57 21.139 -0.484 -1.615 1.00 53.41 H new ATOM 0 HG3 ARG A 57 20.466 0.982 -2.300 1.00 53.41 H new ATOM 0 HD2 ARG A 57 20.217 1.883 -0.252 1.00 45.20 H new ATOM 0 HD3 ARG A 57 19.221 0.535 0.261 1.00 45.20 H new ATOM 0 HE ARG A 57 22.104 -0.040 0.265 1.00 11.22 H new ATOM 0 HH11 ARG A 57 19.329 1.194 2.067 1.00 43.31 H new ATOM 0 HH12 ARG A 57 20.070 0.889 3.641 1.00 43.31 H new ATOM 0 HH21 ARG A 57 23.047 -0.432 2.293 1.00 54.43 H new ATOM 0 HH22 ARG A 57 22.165 -0.027 3.769 1.00 54.43 H new ATOM 863 N LYS A 58 18.951 -2.546 -4.394 1.00 65.24 N ATOM 864 CA LYS A 58 19.623 -3.536 -5.228 1.00 44.34 C ATOM 865 C LYS A 58 19.622 -3.105 -6.692 1.00 2.14 C ATOM 866 O LYS A 58 20.676 -3.012 -7.321 1.00 15.32 O ATOM 867 CB LYS A 58 18.943 -4.899 -5.086 1.00 70.15 C ATOM 868 CG LYS A 58 19.576 -5.986 -5.938 1.00 31.23 C ATOM 869 CD LYS A 58 19.855 -7.239 -5.125 1.00 22.22 C ATOM 870 CE LYS A 58 21.183 -7.142 -4.389 1.00 40.04 C ATOM 871 NZ LYS A 58 21.124 -7.789 -3.050 1.00 33.34 N ATOM 0 H LYS A 58 18.133 -2.899 -3.898 1.00 65.24 H new ATOM 0 HA LYS A 58 20.657 -3.616 -4.892 1.00 44.34 H new ATOM 0 HB2 LYS A 58 18.975 -5.204 -4.040 1.00 70.15 H new ATOM 0 HB3 LYS A 58 17.892 -4.802 -5.358 1.00 70.15 H new ATOM 0 HG2 LYS A 58 18.914 -6.230 -6.769 1.00 31.23 H new ATOM 0 HG3 LYS A 58 20.506 -5.616 -6.369 1.00 31.23 H new ATOM 0 HD2 LYS A 58 19.050 -7.394 -4.407 1.00 22.22 H new ATOM 0 HD3 LYS A 58 19.866 -8.107 -5.784 1.00 22.22 H new ATOM 0 HE2 LYS A 58 21.964 -7.613 -4.986 1.00 40.04 H new ATOM 0 HE3 LYS A 58 21.459 -6.094 -4.274 1.00 40.04 H new ATOM 0 HZ1 LYS A 58 22.048 -7.701 -2.581 1.00 33.34 H new ATOM 0 HZ2 LYS A 58 20.396 -7.323 -2.471 1.00 33.34 H new ATOM 0 HZ3 LYS A 58 20.886 -8.795 -3.161 1.00 33.34 H new ATOM 885 N GLU A 59 18.433 -2.842 -7.226 1.00 24.53 N ATOM 886 CA GLU A 59 18.297 -2.421 -8.615 1.00 2.11 C ATOM 887 C GLU A 59 19.153 -1.189 -8.896 1.00 72.01 C ATOM 888 O GLU A 59 19.958 -1.179 -9.827 1.00 55.40 O ATOM 889 CB GLU A 59 16.832 -2.122 -8.939 1.00 71.42 C ATOM 890 CG GLU A 59 16.093 -3.299 -9.555 1.00 10.40 C ATOM 891 CD GLU A 59 14.596 -3.235 -9.320 1.00 42.34 C ATOM 892 OE1 GLU A 59 14.164 -3.470 -8.173 1.00 24.33 O ATOM 893 OE2 GLU A 59 13.857 -2.949 -10.285 1.00 52.34 O ATOM 0 H GLU A 59 17.551 -2.913 -6.718 1.00 24.53 H new ATOM 0 HA GLU A 59 18.643 -3.236 -9.251 1.00 2.11 H new ATOM 0 HB2 GLU A 59 16.321 -1.821 -8.025 1.00 71.42 H new ATOM 0 HB3 GLU A 59 16.785 -1.276 -9.624 1.00 71.42 H new ATOM 0 HG2 GLU A 59 16.288 -3.325 -10.627 1.00 10.40 H new ATOM 0 HG3 GLU A 59 16.483 -4.227 -9.138 1.00 10.40 H new ATOM 900 N ALA A 60 18.972 -0.152 -8.084 1.00 72.34 N ATOM 901 CA ALA A 60 19.727 1.084 -8.244 1.00 63.11 C ATOM 902 C ALA A 60 21.224 0.805 -8.337 1.00 74.21 C ATOM 903 O ALA A 60 21.894 1.262 -9.262 1.00 54.14 O ATOM 904 CB ALA A 60 19.436 2.033 -7.091 1.00 42.12 C ATOM 0 H ALA A 60 18.309 -0.144 -7.309 1.00 72.34 H new ATOM 0 HA ALA A 60 19.413 1.554 -9.176 1.00 63.11 H new ATOM 0 HB1 ALA A 60 20.007 2.952 -7.223 1.00 42.12 H new ATOM 0 HB2 ALA A 60 18.371 2.266 -7.072 1.00 42.12 H new ATOM 0 HB3 ALA A 60 19.721 1.561 -6.151 1.00 42.12 H new ATOM 910 N ALA A 61 21.741 0.052 -7.372 1.00 24.10 N ATOM 911 CA ALA A 61 23.158 -0.289 -7.346 1.00 44.12 C ATOM 912 C ALA A 61 23.590 -0.942 -8.655 1.00 11.10 C ATOM 913 O ALA A 61 24.634 -0.606 -9.213 1.00 1.44 O ATOM 914 CB ALA A 61 23.459 -1.208 -6.171 1.00 51.14 C ATOM 0 H ALA A 61 21.200 -0.333 -6.598 1.00 24.10 H new ATOM 0 HA ALA A 61 23.726 0.634 -7.226 1.00 44.12 H new ATOM 0 HB1 ALA A 61 24.521 -1.454 -6.164 1.00 51.14 H new ATOM 0 HB2 ALA A 61 23.197 -0.706 -5.240 1.00 51.14 H new ATOM 0 HB3 ALA A 61 22.875 -2.123 -6.266 1.00 51.14 H new ATOM 920 N ALA A 62 22.780 -1.877 -9.139 1.00 73.44 N ATOM 921 CA ALA A 62 23.078 -2.576 -10.383 1.00 75.43 C ATOM 922 C ALA A 62 23.223 -1.596 -11.543 1.00 31.45 C ATOM 923 O ALA A 62 24.182 -1.668 -12.311 1.00 42.12 O ATOM 924 CB ALA A 62 21.992 -3.599 -10.687 1.00 4.11 C ATOM 0 H ALA A 62 21.912 -2.168 -8.689 1.00 73.44 H new ATOM 0 HA ALA A 62 24.028 -3.096 -10.260 1.00 75.43 H new ATOM 0 HB1 ALA A 62 22.227 -4.114 -11.619 1.00 4.11 H new ATOM 0 HB2 ALA A 62 21.938 -4.325 -9.875 1.00 4.11 H new ATOM 0 HB3 ALA A 62 21.032 -3.092 -10.785 1.00 4.11 H new ATOM 930 N ILE A 63 22.265 -0.683 -11.663 1.00 23.14 N ATOM 931 CA ILE A 63 22.288 0.311 -12.728 1.00 50.13 C ATOM 932 C ILE A 63 23.553 1.160 -12.662 1.00 21.25 C ATOM 933 O ILE A 63 24.194 1.418 -13.680 1.00 63.44 O ATOM 934 CB ILE A 63 21.059 1.236 -12.661 1.00 55.33 C ATOM 935 CG1 ILE A 63 19.770 0.411 -12.688 1.00 2.34 C ATOM 936 CG2 ILE A 63 21.081 2.231 -13.812 1.00 73.24 C ATOM 937 CD1 ILE A 63 18.535 1.208 -12.330 1.00 21.02 C ATOM 0 H ILE A 63 21.464 -0.611 -11.036 1.00 23.14 H new ATOM 0 HA ILE A 63 22.270 -0.237 -13.670 1.00 50.13 H new ATOM 0 HB ILE A 63 21.093 1.793 -11.724 1.00 55.33 H new ATOM 0 HG12 ILE A 63 19.642 -0.015 -13.683 1.00 2.34 H new ATOM 0 HG13 ILE A 63 19.868 -0.424 -11.994 1.00 2.34 H new ATOM 0 HG21 ILE A 63 20.206 2.878 -13.751 1.00 73.24 H new ATOM 0 HG22 ILE A 63 21.985 2.837 -13.752 1.00 73.24 H new ATOM 0 HG23 ILE A 63 21.068 1.692 -14.759 1.00 73.24 H new ATOM 0 HD11 ILE A 63 17.660 0.560 -12.370 1.00 21.02 H new ATOM 0 HD12 ILE A 63 18.642 1.612 -11.323 1.00 21.02 H new ATOM 0 HD13 ILE A 63 18.412 2.027 -13.039 1.00 21.02 H new ATOM 949 N ARG A 64 23.907 1.590 -11.455 1.00 65.01 N ATOM 950 CA ARG A 64 25.097 2.409 -11.255 1.00 13.21 C ATOM 951 C ARG A 64 26.346 1.685 -11.748 1.00 75.54 C ATOM 952 O ARG A 64 27.161 2.255 -12.474 1.00 34.03 O ATOM 953 CB ARG A 64 25.253 2.767 -9.776 1.00 33.23 C ATOM 954 CG ARG A 64 26.460 3.642 -9.485 1.00 5.52 C ATOM 955 CD ARG A 64 27.140 3.240 -8.185 1.00 40.42 C ATOM 956 NE ARG A 64 28.208 4.166 -7.817 1.00 20.11 N ATOM 957 CZ ARG A 64 29.168 3.872 -6.947 1.00 33.24 C ATOM 958 NH1 ARG A 64 29.193 2.684 -6.359 1.00 32.31 N ATOM 959 NH2 ARG A 64 30.105 4.767 -6.663 1.00 41.22 N ATOM 0 H ARG A 64 23.387 1.385 -10.602 1.00 65.01 H new ATOM 0 HA ARG A 64 24.977 3.325 -11.833 1.00 13.21 H new ATOM 0 HB2 ARG A 64 24.353 3.281 -9.438 1.00 33.23 H new ATOM 0 HB3 ARG A 64 25.333 1.848 -9.195 1.00 33.23 H new ATOM 0 HG2 ARG A 64 27.172 3.567 -10.307 1.00 5.52 H new ATOM 0 HG3 ARG A 64 26.149 4.685 -9.427 1.00 5.52 H new ATOM 0 HD2 ARG A 64 26.400 3.203 -7.385 1.00 40.42 H new ATOM 0 HD3 ARG A 64 27.550 2.235 -8.286 1.00 40.42 H new ATOM 0 HE ARG A 64 28.217 5.089 -8.252 1.00 20.11 H new ATOM 0 HH11 ARG A 64 28.474 1.993 -6.574 1.00 32.31 H new ATOM 0 HH12 ARG A 64 29.931 2.461 -5.691 1.00 32.31 H new ATOM 0 HH21 ARG A 64 30.089 5.682 -7.113 1.00 41.22 H new ATOM 0 HH22 ARG A 64 30.841 4.540 -5.995 1.00 41.22 H new ATOM 973 N ASP A 65 26.489 0.425 -11.350 1.00 13.41 N ATOM 974 CA ASP A 65 27.638 -0.378 -11.752 1.00 14.22 C ATOM 975 C ASP A 65 27.731 -0.471 -13.272 1.00 12.44 C ATOM 976 O ASP A 65 28.812 -0.341 -13.845 1.00 54.23 O ATOM 977 CB ASP A 65 27.543 -1.780 -11.148 1.00 2.34 C ATOM 978 CG ASP A 65 27.511 -1.756 -9.632 1.00 74.01 C ATOM 979 OD1 ASP A 65 27.691 -0.665 -9.052 1.00 71.03 O ATOM 980 OD2 ASP A 65 27.306 -2.829 -9.026 1.00 15.41 O ATOM 0 H ASP A 65 25.824 -0.062 -10.750 1.00 13.41 H new ATOM 0 HA ASP A 65 28.539 0.110 -11.380 1.00 14.22 H new ATOM 0 HB2 ASP A 65 26.645 -2.273 -11.520 1.00 2.34 H new ATOM 0 HB3 ASP A 65 28.394 -2.375 -11.481 1.00 2.34 H new ATOM 985 N GLU A 66 26.591 -0.697 -13.917 1.00 33.13 N ATOM 986 CA GLU A 66 26.545 -0.809 -15.370 1.00 23.31 C ATOM 987 C GLU A 66 27.038 0.475 -16.030 1.00 64.03 C ATOM 988 O GLU A 66 27.876 0.439 -16.932 1.00 41.55 O ATOM 989 CB GLU A 66 25.121 -1.121 -15.835 1.00 44.13 C ATOM 990 CG GLU A 66 24.493 -2.305 -15.120 1.00 73.03 C ATOM 991 CD GLU A 66 24.213 -3.468 -16.052 1.00 41.03 C ATOM 992 OE1 GLU A 66 25.095 -3.794 -16.875 1.00 10.43 O ATOM 993 OE2 GLU A 66 23.113 -4.052 -15.960 1.00 4.00 O ATOM 0 H GLU A 66 25.687 -0.806 -13.457 1.00 33.13 H new ATOM 0 HA GLU A 66 27.203 -1.626 -15.667 1.00 23.31 H new ATOM 0 HB2 GLU A 66 24.496 -0.241 -15.681 1.00 44.13 H new ATOM 0 HB3 GLU A 66 25.133 -1.319 -16.907 1.00 44.13 H new ATOM 0 HG2 GLU A 66 25.157 -2.636 -14.321 1.00 73.03 H new ATOM 0 HG3 GLU A 66 23.562 -1.989 -14.650 1.00 73.03 H new ATOM 1000 N CYS A 67 26.513 1.607 -15.575 1.00 73.31 N ATOM 1001 CA CYS A 67 26.898 2.903 -16.122 1.00 74.11 C ATOM 1002 C CYS A 67 28.404 3.113 -16.014 1.00 24.12 C ATOM 1003 O CYS A 67 29.037 3.622 -16.938 1.00 41.52 O ATOM 1004 CB CYS A 67 26.160 4.027 -15.393 1.00 22.22 C ATOM 1005 SG CYS A 67 24.379 4.064 -15.703 1.00 22.01 S ATOM 0 H CYS A 67 25.819 1.654 -14.829 1.00 73.31 H new ATOM 0 HA CYS A 67 26.622 2.921 -17.176 1.00 74.11 H new ATOM 0 HB2 CYS A 67 26.329 3.923 -14.321 1.00 22.22 H new ATOM 0 HB3 CYS A 67 26.590 4.983 -15.692 1.00 22.22 H new ATOM 0 HG CYS A 67 24.028 2.991 -16.348 1.00 22.01 H new ATOM 1011 N GLN A 68 28.972 2.718 -14.878 1.00 54.25 N ATOM 1012 CA GLN A 68 30.404 2.866 -14.649 1.00 70.31 C ATOM 1013 C GLN A 68 31.199 1.927 -15.550 1.00 62.14 C ATOM 1014 O GLN A 68 32.312 2.246 -15.968 1.00 53.41 O ATOM 1015 CB GLN A 68 30.738 2.588 -13.182 1.00 42.44 C ATOM 1016 CG GLN A 68 29.835 3.322 -12.203 1.00 64.35 C ATOM 1017 CD GLN A 68 30.610 4.202 -11.242 1.00 52.05 C ATOM 1018 OE1 GLN A 68 31.568 4.871 -11.630 1.00 62.11 O ATOM 1019 NE2 GLN A 68 30.197 4.207 -9.980 1.00 65.42 N ATOM 0 H GLN A 68 28.462 2.294 -14.103 1.00 54.25 H new ATOM 0 HA GLN A 68 30.681 3.892 -14.890 1.00 70.31 H new ATOM 0 HB2 GLN A 68 30.664 1.516 -12.998 1.00 42.44 H new ATOM 0 HB3 GLN A 68 31.773 2.873 -12.993 1.00 42.44 H new ATOM 0 HG2 GLN A 68 29.125 3.935 -12.759 1.00 64.35 H new ATOM 0 HG3 GLN A 68 29.253 2.595 -11.636 1.00 64.35 H new ATOM 0 HE21 GLN A 68 29.398 3.637 -9.703 1.00 65.42 H new ATOM 0 HE22 GLN A 68 30.679 4.781 -9.288 1.00 65.42 H new ATOM 1028 N ALA A 69 30.621 0.767 -15.846 1.00 11.43 N ATOM 1029 CA ALA A 69 31.275 -0.217 -16.699 1.00 21.13 C ATOM 1030 C ALA A 69 31.131 0.151 -18.172 1.00 22.34 C ATOM 1031 O ALA A 69 31.711 -0.498 -19.043 1.00 1.21 O ATOM 1032 CB ALA A 69 30.702 -1.603 -16.440 1.00 44.24 C ATOM 0 H ALA A 69 29.701 0.486 -15.507 1.00 11.43 H new ATOM 0 HA ALA A 69 32.338 -0.224 -16.456 1.00 21.13 H new ATOM 0 HB1 ALA A 69 31.199 -2.328 -17.084 1.00 44.24 H new ATOM 0 HB2 ALA A 69 30.862 -1.874 -15.396 1.00 44.24 H new ATOM 0 HB3 ALA A 69 29.633 -1.601 -16.654 1.00 44.24 H new ATOM 1038 N TYR A 70 30.355 1.194 -18.443 1.00 31.12 N ATOM 1039 CA TYR A 70 30.132 1.646 -19.811 1.00 65.21 C ATOM 1040 C TYR A 70 30.919 2.921 -20.098 1.00 55.51 C ATOM 1041 O TYR A 70 31.417 3.121 -21.206 1.00 75.02 O ATOM 1042 CB TYR A 70 28.642 1.886 -20.055 1.00 53.31 C ATOM 1043 CG TYR A 70 27.795 0.643 -19.901 1.00 14.42 C ATOM 1044 CD1 TYR A 70 28.290 -0.607 -20.249 1.00 43.12 C ATOM 1045 CD2 TYR A 70 26.499 0.720 -19.406 1.00 34.55 C ATOM 1046 CE1 TYR A 70 27.519 -1.745 -20.111 1.00 5.25 C ATOM 1047 CE2 TYR A 70 25.721 -0.413 -19.262 1.00 60.41 C ATOM 1048 CZ TYR A 70 26.236 -1.643 -19.616 1.00 72.04 C ATOM 1049 OH TYR A 70 25.465 -2.774 -19.475 1.00 62.45 O ATOM 0 H TYR A 70 29.870 1.743 -17.733 1.00 31.12 H new ATOM 0 HA TYR A 70 30.482 0.865 -20.486 1.00 65.21 H new ATOM 0 HB2 TYR A 70 28.286 2.646 -19.359 1.00 53.31 H new ATOM 0 HB3 TYR A 70 28.507 2.285 -21.060 1.00 53.31 H new ATOM 0 HD1 TYR A 70 29.295 -0.691 -20.634 1.00 43.12 H new ATOM 0 HD2 TYR A 70 26.093 1.682 -19.129 1.00 34.55 H new ATOM 0 HE1 TYR A 70 27.919 -2.709 -20.389 1.00 5.25 H new ATOM 0 HE2 TYR A 70 24.716 -0.336 -18.875 1.00 60.41 H new ATOM 0 HH TYR A 70 25.418 -3.022 -18.528 1.00 62.45 H new ATOM 1059 N ARG A 71 31.026 3.782 -19.091 1.00 32.22 N ATOM 1060 CA ARG A 71 31.750 5.039 -19.234 1.00 24.24 C ATOM 1061 C ARG A 71 32.673 5.273 -18.041 1.00 61.20 C ATOM 1062 O ARG A 71 32.781 6.391 -17.536 1.00 63.13 O ATOM 1063 CB ARG A 71 30.770 6.205 -19.370 1.00 34.24 C ATOM 1064 CG ARG A 71 31.303 7.355 -20.208 1.00 3.03 C ATOM 1065 CD ARG A 71 30.766 8.693 -19.724 1.00 22.10 C ATOM 1066 NE ARG A 71 30.612 9.649 -20.817 1.00 65.34 N ATOM 1067 CZ ARG A 71 31.635 10.189 -21.471 1.00 23.51 C ATOM 1068 NH1 ARG A 71 32.879 9.868 -21.143 1.00 63.31 N ATOM 1069 NH2 ARG A 71 31.415 11.051 -22.455 1.00 33.10 N ATOM 0 H ARG A 71 30.620 3.632 -18.167 1.00 32.22 H new ATOM 0 HA ARG A 71 32.358 4.978 -20.136 1.00 24.24 H new ATOM 0 HB2 ARG A 71 29.845 5.840 -19.816 1.00 34.24 H new ATOM 0 HB3 ARG A 71 30.520 6.576 -18.376 1.00 34.24 H new ATOM 0 HG2 ARG A 71 32.392 7.362 -20.167 1.00 3.03 H new ATOM 0 HG3 ARG A 71 31.025 7.206 -21.251 1.00 3.03 H new ATOM 0 HD2 ARG A 71 29.803 8.542 -19.236 1.00 22.10 H new ATOM 0 HD3 ARG A 71 31.442 9.105 -18.975 1.00 22.10 H new ATOM 0 HE ARG A 71 29.667 9.917 -21.094 1.00 65.34 H new ATOM 0 HH11 ARG A 71 33.052 9.205 -20.387 1.00 63.31 H new ATOM 0 HH12 ARG A 71 33.663 10.284 -21.646 1.00 63.31 H new ATOM 0 HH21 ARG A 71 30.460 11.300 -22.711 1.00 33.10 H new ATOM 0 HH22 ARG A 71 32.201 11.465 -22.956 1.00 33.10 H new ATOM 1083 N HIS A 72 33.336 4.211 -17.595 1.00 22.41 N ATOM 1084 CA HIS A 72 34.250 4.300 -16.462 1.00 11.35 C ATOM 1085 C HIS A 72 34.947 2.965 -16.219 1.00 30.04 C ATOM 1086 O HIS A 72 35.256 2.613 -15.081 1.00 43.41 O ATOM 1087 CB HIS A 72 33.495 4.731 -15.204 1.00 1.04 C ATOM 1088 CG HIS A 72 34.145 5.866 -14.474 1.00 51.44 C ATOM 1089 ND1 HIS A 72 35.459 5.839 -14.056 1.00 74.33 N ATOM 1090 CD2 HIS A 72 33.655 7.068 -14.091 1.00 12.42 C ATOM 1091 CE1 HIS A 72 35.748 6.974 -13.445 1.00 71.24 C ATOM 1092 NE2 HIS A 72 34.670 7.738 -13.453 1.00 64.43 N ATOM 0 H HIS A 72 33.257 3.279 -18.001 1.00 22.41 H new ATOM 0 HA HIS A 72 35.008 5.047 -16.696 1.00 11.35 H new ATOM 0 HB2 HIS A 72 32.481 5.021 -15.480 1.00 1.04 H new ATOM 0 HB3 HIS A 72 33.411 3.878 -14.531 1.00 1.04 H new ATOM 0 HD2 HIS A 72 32.652 7.433 -14.256 1.00 12.42 H new ATOM 0 HE1 HIS A 72 36.703 7.233 -13.012 1.00 71.24 H new ATOM 0 HE2 HIS A 72 34.603 8.673 -13.051 1.00 64.43 H new ATOM 1100 N ASN A 73 35.190 2.225 -17.296 1.00 2.42 N ATOM 1101 CA ASN A 73 35.849 0.928 -17.199 1.00 44.02 C ATOM 1102 C ASN A 73 36.725 0.670 -18.422 1.00 2.53 C ATOM 1103 O ASN A 73 37.255 1.603 -19.025 1.00 52.12 O ATOM 1104 CB ASN A 73 34.810 -0.186 -17.058 1.00 63.14 C ATOM 1105 CG ASN A 73 35.415 -1.566 -17.233 1.00 11.03 C ATOM 1106 OD1 ASN A 73 35.454 -2.103 -18.340 1.00 21.44 O ATOM 1107 ND2 ASN A 73 35.890 -2.146 -16.137 1.00 33.43 N ATOM 0 H ASN A 73 34.940 2.501 -18.246 1.00 2.42 H new ATOM 0 HA ASN A 73 36.485 0.937 -16.314 1.00 44.02 H new ATOM 0 HB2 ASN A 73 34.341 -0.120 -16.076 1.00 63.14 H new ATOM 0 HB3 ASN A 73 34.023 -0.041 -17.798 1.00 63.14 H new ATOM 0 HD21 ASN A 73 36.309 -3.075 -16.192 1.00 33.43 H new ATOM 0 HD22 ASN A 73 35.836 -1.663 -15.240 1.00 33.43 H new TER 1114 ASN A 73