USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 409 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 NoAdj-H: A 1 ILE H2 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD NoAdj-H: A 1 ILE H3 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Single : A 1 ILE N :NH3+ -118:sc= -0.0633 (180deg=-0.58) USER MOD Single : A 2 TYR OH : rot 169:sc= 1.03 USER MOD Single : A 7 GLN : amide:sc= -0.559 K(o=-0.56,f=-2.6!) USER MOD Single : A 11 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.3) USER MOD Single : A 14 THR OG1 : rot -46:sc= 0.84 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -75:sc= 1.16 USER MOD Single : A 29 SER OG : rot -28:sc= 0.791 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0039 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.632 -1.475 0.378 1.00 43.50 N ATOM 2 CA ILE A 1 2.471 -1.013 -0.721 1.00 64.41 C ATOM 3 C ILE A 1 2.246 -1.852 -1.974 1.00 72.34 C ATOM 4 O ILE A 1 2.291 -1.340 -3.093 1.00 63.42 O ATOM 5 CB ILE A 1 3.965 -1.061 -0.347 1.00 53.54 C ATOM 6 CG1 ILE A 1 4.239 -0.162 0.860 1.00 22.24 C ATOM 7 CG2 ILE A 1 4.821 -0.640 -1.533 1.00 12.13 C ATOM 8 CD1 ILE A 1 3.992 1.306 0.590 1.00 23.53 C ATOM 0 H1 ILE A 1 0.981 -0.715 0.661 1.00 43.50 H new ATOM 0 HA ILE A 1 2.188 0.020 -0.922 1.00 64.41 H new ATOM 0 HB ILE A 1 4.226 -2.085 -0.081 1.00 53.54 H new ATOM 0 HG12 ILE A 1 3.609 -0.481 1.691 1.00 22.24 H new ATOM 0 HG13 ILE A 1 5.274 -0.296 1.175 1.00 22.24 H new ATOM 0 HG21 ILE A 1 5.874 -0.679 -1.254 1.00 12.13 H new ATOM 0 HG22 ILE A 1 4.642 -1.316 -2.369 1.00 12.13 H new ATOM 0 HG23 ILE A 1 4.561 0.377 -1.827 1.00 12.13 H new ATOM 0 HD11 ILE A 1 4.207 1.883 1.490 1.00 23.53 H new ATOM 0 HD12 ILE A 1 4.641 1.641 -0.219 1.00 23.53 H new ATOM 0 HD13 ILE A 1 2.950 1.453 0.305 1.00 23.53 H new ATOM 20 N TYR A 2 2.001 -3.143 -1.779 1.00 72.11 N ATOM 21 CA TYR A 2 1.768 -4.054 -2.894 1.00 22.14 C ATOM 22 C TYR A 2 0.355 -3.892 -3.444 1.00 54.31 C ATOM 23 O TYR A 2 -0.013 -4.522 -4.435 1.00 54.25 O ATOM 24 CB TYR A 2 1.992 -5.501 -2.452 1.00 64.31 C ATOM 25 CG TYR A 2 3.451 -5.895 -2.385 1.00 12.20 C ATOM 26 CD1 TYR A 2 4.208 -5.639 -1.248 1.00 51.32 C ATOM 27 CD2 TYR A 2 4.072 -6.522 -3.458 1.00 51.40 C ATOM 28 CE1 TYR A 2 5.541 -5.996 -1.182 1.00 52.24 C ATOM 29 CE2 TYR A 2 5.404 -6.884 -3.401 1.00 12.55 C ATOM 30 CZ TYR A 2 6.134 -6.618 -2.261 1.00 20.32 C ATOM 31 OH TYR A 2 7.461 -6.976 -2.200 1.00 64.02 O ATOM 0 H TYR A 2 1.959 -3.582 -0.859 1.00 72.11 H new ATOM 0 HA TYR A 2 2.476 -3.808 -3.685 1.00 22.14 H new ATOM 0 HB2 TYR A 2 1.540 -5.647 -1.471 1.00 64.31 H new ATOM 0 HB3 TYR A 2 1.476 -6.167 -3.143 1.00 64.31 H new ATOM 0 HD1 TYR A 2 3.746 -5.153 -0.401 1.00 51.32 H new ATOM 0 HD2 TYR A 2 3.503 -6.730 -4.352 1.00 51.40 H new ATOM 0 HE1 TYR A 2 6.115 -5.789 -0.291 1.00 52.24 H new ATOM 0 HE2 TYR A 2 5.871 -7.372 -4.244 1.00 12.55 H new ATOM 0 HH TYR A 2 7.679 -7.556 -2.960 1.00 64.02 H new ATOM 41 N TRP A 3 -0.432 -3.042 -2.794 1.00 30.01 N ATOM 42 CA TRP A 3 -1.806 -2.795 -3.218 1.00 23.23 C ATOM 43 C TRP A 3 -1.940 -1.415 -3.851 1.00 12.21 C ATOM 44 O TRP A 3 -2.743 -1.216 -4.763 1.00 72.21 O ATOM 45 CB TRP A 3 -2.758 -2.919 -2.027 1.00 74.05 C ATOM 46 CG TRP A 3 -4.198 -2.723 -2.396 1.00 2.40 C ATOM 47 CD1 TRP A 3 -5.060 -3.671 -2.869 1.00 4.15 C ATOM 48 CD2 TRP A 3 -4.942 -1.502 -2.324 1.00 1.41 C ATOM 49 NE1 TRP A 3 -6.295 -3.113 -3.095 1.00 3.24 N ATOM 50 CE2 TRP A 3 -6.249 -1.783 -2.767 1.00 61.45 C ATOM 51 CE3 TRP A 3 -4.632 -0.198 -1.926 1.00 33.31 C ATOM 52 CZ2 TRP A 3 -7.242 -0.809 -2.824 1.00 43.14 C ATOM 53 CZ3 TRP A 3 -5.619 0.768 -1.983 1.00 64.23 C ATOM 54 CH2 TRP A 3 -6.911 0.459 -2.429 1.00 24.41 C ATOM 0 H TRP A 3 -0.143 -2.512 -1.972 1.00 30.01 H new ATOM 0 HA TRP A 3 -2.070 -3.543 -3.965 1.00 23.23 H new ATOM 0 HB2 TRP A 3 -2.637 -3.903 -1.575 1.00 74.05 H new ATOM 0 HB3 TRP A 3 -2.481 -2.184 -1.271 1.00 74.05 H new ATOM 0 HD1 TRP A 3 -4.808 -4.707 -3.040 1.00 4.15 H new ATOM 0 HE1 TRP A 3 -7.113 -3.608 -3.449 1.00 3.24 H new ATOM 0 HE3 TRP A 3 -3.639 0.050 -1.580 1.00 33.31 H new ATOM 0 HZ2 TRP A 3 -8.238 -1.045 -3.168 1.00 43.14 H new ATOM 0 HZ3 TRP A 3 -5.390 1.779 -1.678 1.00 64.23 H new ATOM 0 HH2 TRP A 3 -7.660 1.236 -2.462 1.00 24.41 H new ATOM 65 N ILE A 4 -1.150 -0.465 -3.362 1.00 52.22 N ATOM 66 CA ILE A 4 -1.181 0.896 -3.882 1.00 53.53 C ATOM 67 C ILE A 4 -0.515 0.977 -5.252 1.00 11.14 C ATOM 68 O ILE A 4 -0.995 1.672 -6.147 1.00 32.32 O ATOM 69 CB ILE A 4 -0.483 1.881 -2.925 1.00 72.15 C ATOM 70 CG1 ILE A 4 -1.274 2.006 -1.621 1.00 63.24 C ATOM 71 CG2 ILE A 4 -0.325 3.241 -3.588 1.00 13.31 C ATOM 72 CD1 ILE A 4 -0.480 1.616 -0.394 1.00 73.31 C ATOM 0 H ILE A 4 -0.481 -0.613 -2.607 1.00 52.22 H new ATOM 0 HA ILE A 4 -2.231 1.174 -3.974 1.00 53.53 H new ATOM 0 HB ILE A 4 0.509 1.496 -2.690 1.00 72.15 H new ATOM 0 HG12 ILE A 4 -1.617 3.035 -1.510 1.00 63.24 H new ATOM 0 HG13 ILE A 4 -2.163 1.379 -1.683 1.00 63.24 H new ATOM 0 HG21 ILE A 4 0.170 3.926 -2.900 1.00 13.31 H new ATOM 0 HG22 ILE A 4 0.276 3.138 -4.492 1.00 13.31 H new ATOM 0 HG23 ILE A 4 -1.307 3.635 -3.849 1.00 13.31 H new ATOM 0 HD11 ILE A 4 -1.103 1.729 0.493 1.00 73.31 H new ATOM 0 HD12 ILE A 4 -0.160 0.578 -0.483 1.00 73.31 H new ATOM 0 HD13 ILE A 4 0.395 2.260 -0.307 1.00 73.31 H new ATOM 84 N ALA A 5 0.593 0.260 -5.407 1.00 41.45 N ATOM 85 CA ALA A 5 1.323 0.247 -6.669 1.00 5.52 C ATOM 86 C ALA A 5 0.433 -0.221 -7.814 1.00 55.13 C ATOM 87 O ALA A 5 0.702 0.068 -8.981 1.00 34.44 O ATOM 88 CB ALA A 5 2.554 -0.641 -6.557 1.00 52.23 C ATOM 0 H ALA A 5 1.005 -0.319 -4.675 1.00 41.45 H new ATOM 0 HA ALA A 5 1.642 1.266 -6.886 1.00 5.52 H new ATOM 0 HB1 ALA A 5 3.090 -0.642 -7.506 1.00 52.23 H new ATOM 0 HB2 ALA A 5 3.207 -0.260 -5.772 1.00 52.23 H new ATOM 0 HB3 ALA A 5 2.248 -1.658 -6.312 1.00 52.23 H new ATOM 94 N ASP A 6 -0.628 -0.945 -7.475 1.00 30.15 N ATOM 95 CA ASP A 6 -1.559 -1.453 -8.475 1.00 72.51 C ATOM 96 C ASP A 6 -2.639 -0.422 -8.786 1.00 33.01 C ATOM 97 O ASP A 6 -2.686 0.129 -9.885 1.00 43.13 O ATOM 98 CB ASP A 6 -2.202 -2.754 -7.990 1.00 55.42 C ATOM 99 CG ASP A 6 -3.454 -3.106 -8.770 1.00 21.32 C ATOM 100 OD1 ASP A 6 -3.331 -3.769 -9.821 1.00 73.23 O ATOM 101 OD2 ASP A 6 -4.556 -2.720 -8.328 1.00 71.11 O ATOM 0 H ASP A 6 -0.865 -1.193 -6.514 1.00 30.15 H new ATOM 0 HA ASP A 6 -0.999 -1.652 -9.389 1.00 72.51 H new ATOM 0 HB2 ASP A 6 -1.482 -3.567 -8.078 1.00 55.42 H new ATOM 0 HB3 ASP A 6 -2.450 -2.661 -6.933 1.00 55.42 H new ATOM 106 N GLN A 7 -3.506 -0.168 -7.811 1.00 3.33 N ATOM 107 CA GLN A 7 -4.586 0.796 -7.982 1.00 14.13 C ATOM 108 C GLN A 7 -4.041 2.154 -8.411 1.00 15.55 C ATOM 109 O GLN A 7 -4.337 2.636 -9.504 1.00 42.15 O ATOM 110 CB GLN A 7 -5.381 0.939 -6.682 1.00 41.24 C ATOM 111 CG GLN A 7 -6.002 -0.363 -6.203 1.00 15.52 C ATOM 112 CD GLN A 7 -7.121 -0.843 -7.107 1.00 24.13 C ATOM 113 OE1 GLN A 7 -6.904 -1.123 -8.286 1.00 71.41 O ATOM 114 NE2 GLN A 7 -8.326 -0.941 -6.557 1.00 65.34 N ATOM 0 H GLN A 7 -3.481 -0.616 -6.895 1.00 3.33 H new ATOM 0 HA GLN A 7 -5.248 0.427 -8.766 1.00 14.13 H new ATOM 0 HB2 GLN A 7 -4.723 1.326 -5.904 1.00 41.24 H new ATOM 0 HB3 GLN A 7 -6.170 1.676 -6.828 1.00 41.24 H new ATOM 0 HG2 GLN A 7 -5.230 -1.131 -6.148 1.00 15.52 H new ATOM 0 HG3 GLN A 7 -6.389 -0.227 -5.193 1.00 15.52 H new ATOM 0 HE21 GLN A 7 -8.460 -0.698 -5.575 1.00 65.34 H new ATOM 0 HE22 GLN A 7 -9.118 -1.259 -7.116 1.00 65.34 H new ATOM 123 N PHE A 8 -3.245 2.768 -7.542 1.00 2.03 N ATOM 124 CA PHE A 8 -2.659 4.072 -7.830 1.00 54.10 C ATOM 125 C PHE A 8 -1.437 3.932 -8.732 1.00 41.13 C ATOM 126 O PHE A 8 -1.472 4.302 -9.905 1.00 64.32 O ATOM 127 CB PHE A 8 -2.270 4.778 -6.530 1.00 4.50 C ATOM 128 CG PHE A 8 -3.394 4.872 -5.538 1.00 24.50 C ATOM 129 CD1 PHE A 8 -3.698 3.801 -4.713 1.00 63.42 C ATOM 130 CD2 PHE A 8 -4.146 6.030 -5.431 1.00 34.22 C ATOM 131 CE1 PHE A 8 -4.731 3.883 -3.799 1.00 31.01 C ATOM 132 CE2 PHE A 8 -5.181 6.118 -4.518 1.00 44.22 C ATOM 133 CZ PHE A 8 -5.474 5.043 -3.702 1.00 51.12 C ATOM 0 H PHE A 8 -2.991 2.383 -6.632 1.00 2.03 H new ATOM 0 HA PHE A 8 -3.406 4.671 -8.351 1.00 54.10 H new ATOM 0 HB2 PHE A 8 -1.436 4.246 -6.072 1.00 4.50 H new ATOM 0 HB3 PHE A 8 -1.917 5.783 -6.763 1.00 4.50 H new ATOM 0 HD1 PHE A 8 -3.121 2.891 -4.785 1.00 63.42 H new ATOM 0 HD2 PHE A 8 -3.922 6.873 -6.067 1.00 34.22 H new ATOM 0 HE1 PHE A 8 -4.957 3.041 -3.161 1.00 31.01 H new ATOM 0 HE2 PHE A 8 -5.760 7.027 -4.443 1.00 44.22 H new ATOM 0 HZ PHE A 8 -6.283 5.109 -2.989 1.00 51.12 H new ATOM 143 N GLY A 9 -0.356 3.395 -8.175 1.00 5.42 N ATOM 144 CA GLY A 9 0.863 3.216 -8.942 1.00 3.30 C ATOM 145 C GLY A 9 1.788 4.413 -8.848 1.00 43.45 C ATOM 146 O GLY A 9 2.876 4.323 -8.278 1.00 70.53 O ATOM 0 H GLY A 9 -0.303 3.081 -7.206 1.00 5.42 H new ATOM 0 HA2 GLY A 9 1.386 2.328 -8.586 1.00 3.30 H new ATOM 0 HA3 GLY A 9 0.608 3.039 -9.987 1.00 3.30 H new ATOM 150 N ILE A 10 1.357 5.538 -9.411 1.00 22.54 N ATOM 151 CA ILE A 10 2.155 6.757 -9.388 1.00 42.13 C ATOM 152 C ILE A 10 3.499 6.548 -10.079 1.00 34.32 C ATOM 153 O ILE A 10 4.555 6.677 -9.459 1.00 34.15 O ATOM 154 CB ILE A 10 2.401 7.242 -7.948 1.00 5.45 C ATOM 155 CG1 ILE A 10 1.091 7.253 -7.159 1.00 34.24 C ATOM 156 CG2 ILE A 10 3.032 8.627 -7.956 1.00 22.15 C ATOM 157 CD1 ILE A 10 0.058 8.208 -7.715 1.00 72.42 C ATOM 0 H ILE A 10 0.460 5.630 -9.888 1.00 22.54 H new ATOM 0 HA ILE A 10 1.587 7.516 -9.926 1.00 42.13 H new ATOM 0 HB ILE A 10 3.090 6.552 -7.461 1.00 5.45 H new ATOM 0 HG12 ILE A 10 0.674 6.246 -7.149 1.00 34.24 H new ATOM 0 HG13 ILE A 10 1.302 7.521 -6.124 1.00 34.24 H new ATOM 0 HG21 ILE A 10 3.200 8.956 -6.931 1.00 22.15 H new ATOM 0 HG22 ILE A 10 3.984 8.590 -8.486 1.00 22.15 H new ATOM 0 HG23 ILE A 10 2.365 9.328 -8.458 1.00 22.15 H new ATOM 0 HD11 ILE A 10 -0.845 8.163 -7.106 1.00 72.42 H new ATOM 0 HD12 ILE A 10 0.455 9.223 -7.700 1.00 72.42 H new ATOM 0 HD13 ILE A 10 -0.182 7.927 -8.741 1.00 72.42 H new ATOM 169 N HIS A 11 3.452 6.225 -11.368 1.00 15.44 N ATOM 170 CA HIS A 11 4.665 6.000 -12.144 1.00 45.52 C ATOM 171 C HIS A 11 5.582 5.002 -11.443 1.00 74.35 C ATOM 172 O HIS A 11 6.805 5.074 -11.565 1.00 2.51 O ATOM 173 CB HIS A 11 5.405 7.320 -12.367 1.00 25.21 C ATOM 174 CG HIS A 11 4.824 8.154 -13.466 1.00 42.43 C ATOM 175 ND1 HIS A 11 4.354 7.621 -14.648 1.00 12.13 N ATOM 176 CD2 HIS A 11 4.637 9.492 -13.558 1.00 60.21 C ATOM 177 CE1 HIS A 11 3.904 8.595 -15.419 1.00 61.54 C ATOM 178 NE2 HIS A 11 4.064 9.740 -14.781 1.00 61.22 N ATOM 0 H HIS A 11 2.587 6.113 -11.896 1.00 15.44 H new ATOM 0 HA HIS A 11 4.377 5.585 -13.110 1.00 45.52 H new ATOM 0 HB2 HIS A 11 5.393 7.895 -11.441 1.00 25.21 H new ATOM 0 HB3 HIS A 11 6.449 7.107 -12.597 1.00 25.21 H new ATOM 0 HD2 HIS A 11 4.891 10.227 -12.809 1.00 60.21 H new ATOM 0 HE1 HIS A 11 3.478 8.475 -16.404 1.00 61.54 H new ATOM 0 HE2 HIS A 11 3.804 10.659 -15.139 1.00 61.22 H new ATOM 186 N LEU A 12 4.982 4.070 -10.710 1.00 1.51 N ATOM 187 CA LEU A 12 5.744 3.057 -9.989 1.00 21.14 C ATOM 188 C LEU A 12 6.723 2.347 -10.919 1.00 11.15 C ATOM 189 O LEU A 12 6.398 2.049 -12.067 1.00 74.51 O ATOM 190 CB LEU A 12 4.798 2.038 -9.351 1.00 24.42 C ATOM 191 CG LEU A 12 5.139 1.607 -7.924 1.00 2.03 C ATOM 192 CD1 LEU A 12 6.460 0.855 -7.894 1.00 65.43 C ATOM 193 CD2 LEU A 12 5.191 2.815 -7.000 1.00 54.20 C ATOM 0 H LEU A 12 3.971 3.995 -10.600 1.00 1.51 H new ATOM 0 HA LEU A 12 6.314 3.556 -9.205 1.00 21.14 H new ATOM 0 HB2 LEU A 12 3.791 2.456 -9.352 1.00 24.42 H new ATOM 0 HB3 LEU A 12 4.775 1.149 -9.982 1.00 24.42 H new ATOM 0 HG LEU A 12 4.355 0.937 -7.571 1.00 2.03 H new ATOM 0 HD11 LEU A 12 6.686 0.557 -6.870 1.00 65.43 H new ATOM 0 HD12 LEU A 12 6.388 -0.032 -8.523 1.00 65.43 H new ATOM 0 HD13 LEU A 12 7.255 1.501 -8.267 1.00 65.43 H new ATOM 0 HD21 LEU A 12 5.435 2.489 -5.989 1.00 54.20 H new ATOM 0 HD22 LEU A 12 5.954 3.509 -7.352 1.00 54.20 H new ATOM 0 HD23 LEU A 12 4.221 3.313 -6.997 1.00 54.20 H new ATOM 205 N ALA A 13 7.922 2.078 -10.413 1.00 42.20 N ATOM 206 CA ALA A 13 8.947 1.400 -11.197 1.00 32.42 C ATOM 207 C ALA A 13 8.732 -0.110 -11.191 1.00 24.11 C ATOM 208 O ALA A 13 9.394 -0.839 -10.451 1.00 33.32 O ATOM 209 CB ALA A 13 10.331 1.740 -10.664 1.00 13.20 C ATOM 0 H ALA A 13 8.207 2.319 -9.464 1.00 42.20 H new ATOM 0 HA ALA A 13 8.871 1.748 -12.227 1.00 32.42 H new ATOM 0 HB1 ALA A 13 11.086 1.227 -11.259 1.00 13.20 H new ATOM 0 HB2 ALA A 13 10.490 2.817 -10.726 1.00 13.20 H new ATOM 0 HB3 ALA A 13 10.409 1.421 -9.625 1.00 13.20 H new ATOM 215 N THR A 14 7.803 -0.575 -12.020 1.00 51.43 N ATOM 216 CA THR A 14 7.500 -1.997 -12.109 1.00 70.42 C ATOM 217 C THR A 14 8.282 -2.656 -13.240 1.00 21.55 C ATOM 218 O THR A 14 7.866 -3.680 -13.781 1.00 53.54 O ATOM 219 CB THR A 14 5.995 -2.238 -12.333 1.00 21.41 C ATOM 220 OG1 THR A 14 5.702 -3.636 -12.229 1.00 61.23 O ATOM 221 CG2 THR A 14 5.562 -1.724 -13.697 1.00 54.12 C ATOM 0 H THR A 14 7.247 0.014 -12.640 1.00 51.43 H new ATOM 0 HA THR A 14 7.795 -2.443 -11.159 1.00 70.42 H new ATOM 0 HB THR A 14 5.444 -1.694 -11.566 1.00 21.41 H new ATOM 0 HG1 THR A 14 6.362 -4.148 -12.742 1.00 61.23 H new ATOM 0 HG21 THR A 14 4.496 -1.905 -13.832 1.00 54.12 H new ATOM 0 HG22 THR A 14 5.759 -0.654 -13.762 1.00 54.12 H new ATOM 0 HG23 THR A 14 6.120 -2.244 -14.476 1.00 54.12 H new ATOM 229 N GLY A 15 9.419 -2.064 -13.591 1.00 2.53 N ATOM 230 CA GLY A 15 10.242 -2.608 -14.655 1.00 30.11 C ATOM 231 C GLY A 15 11.280 -3.587 -14.142 1.00 52.23 C ATOM 232 O GLY A 15 11.188 -4.789 -14.393 1.00 24.14 O ATOM 0 H GLY A 15 9.785 -1.217 -13.157 1.00 2.53 H new ATOM 0 HA2 GLY A 15 9.604 -3.108 -15.384 1.00 30.11 H new ATOM 0 HA3 GLY A 15 10.743 -1.792 -15.176 1.00 30.11 H new ATOM 236 N THR A 16 12.272 -3.072 -13.423 1.00 44.11 N ATOM 237 CA THR A 16 13.334 -3.908 -12.877 1.00 13.15 C ATOM 238 C THR A 16 13.114 -4.174 -11.392 1.00 22.23 C ATOM 239 O THR A 16 13.454 -5.244 -10.887 1.00 15.24 O ATOM 240 CB THR A 16 14.717 -3.258 -13.071 1.00 31.41 C ATOM 241 OG1 THR A 16 14.924 -2.952 -14.454 1.00 40.22 O ATOM 242 CG2 THR A 16 15.822 -4.181 -12.580 1.00 31.42 C ATOM 0 H THR A 16 12.362 -2.080 -13.205 1.00 44.11 H new ATOM 0 HA THR A 16 13.305 -4.852 -13.421 1.00 13.15 H new ATOM 0 HB THR A 16 14.747 -2.338 -12.487 1.00 31.41 H new ATOM 0 HG1 THR A 16 15.805 -2.538 -14.569 1.00 40.22 H new ATOM 0 HG21 THR A 16 16.789 -3.701 -12.727 1.00 31.42 H new ATOM 0 HG22 THR A 16 15.678 -4.389 -11.520 1.00 31.42 H new ATOM 0 HG23 THR A 16 15.792 -5.115 -13.141 1.00 31.42 H new ATOM 250 N ALA A 17 12.544 -3.195 -10.698 1.00 11.24 N ATOM 251 CA ALA A 17 12.277 -3.325 -9.271 1.00 34.23 C ATOM 252 C ALA A 17 11.342 -4.498 -8.992 1.00 43.21 C ATOM 253 O ALA A 17 11.287 -5.007 -7.873 1.00 12.04 O ATOM 254 CB ALA A 17 11.684 -2.035 -8.725 1.00 2.54 C ATOM 0 H ALA A 17 12.258 -2.303 -11.101 1.00 11.24 H new ATOM 0 HA ALA A 17 13.223 -3.520 -8.766 1.00 34.23 H new ATOM 0 HB1 ALA A 17 11.490 -2.147 -7.658 1.00 2.54 H new ATOM 0 HB2 ALA A 17 12.387 -1.217 -8.882 1.00 2.54 H new ATOM 0 HB3 ALA A 17 10.750 -1.816 -9.243 1.00 2.54 H new ATOM 260 N ARG A 18 10.609 -4.921 -10.017 1.00 4.12 N ATOM 261 CA ARG A 18 9.676 -6.032 -9.881 1.00 71.41 C ATOM 262 C ARG A 18 10.388 -7.281 -9.371 1.00 23.54 C ATOM 263 O ARG A 18 9.968 -7.891 -8.387 1.00 73.43 O ATOM 264 CB ARG A 18 9.003 -6.328 -11.223 1.00 25.30 C ATOM 265 CG ARG A 18 8.210 -7.624 -11.234 1.00 34.43 C ATOM 266 CD ARG A 18 7.059 -7.581 -10.240 1.00 62.31 C ATOM 267 NE ARG A 18 6.255 -8.800 -10.281 1.00 1.24 N ATOM 268 CZ ARG A 18 5.029 -8.888 -9.778 1.00 13.01 C ATOM 269 NH1 ARG A 18 4.468 -7.835 -9.200 1.00 3.50 N ATOM 270 NH2 ARG A 18 4.360 -10.032 -9.853 1.00 41.43 N ATOM 0 H ARG A 18 10.644 -4.511 -10.950 1.00 4.12 H new ATOM 0 HA ARG A 18 8.914 -5.747 -9.155 1.00 71.41 H new ATOM 0 HB2 ARG A 18 8.337 -5.503 -11.476 1.00 25.30 H new ATOM 0 HB3 ARG A 18 9.766 -6.372 -12.000 1.00 25.30 H new ATOM 0 HG2 ARG A 18 7.821 -7.805 -12.236 1.00 34.43 H new ATOM 0 HG3 ARG A 18 8.870 -8.458 -10.993 1.00 34.43 H new ATOM 0 HD2 ARG A 18 7.454 -7.441 -9.234 1.00 62.31 H new ATOM 0 HD3 ARG A 18 6.425 -6.721 -10.456 1.00 62.31 H new ATOM 0 HE ARG A 18 6.657 -9.628 -10.720 1.00 1.24 H new ATOM 0 HH11 ARG A 18 4.978 -6.954 -9.141 1.00 3.50 H new ATOM 0 HH12 ARG A 18 3.526 -7.906 -8.815 1.00 3.50 H new ATOM 0 HH21 ARG A 18 4.787 -10.845 -10.297 1.00 41.43 H new ATOM 0 HH22 ARG A 18 3.418 -10.098 -9.466 1.00 41.43 H new ATOM 284 N LYS A 19 11.469 -7.657 -10.046 1.00 22.33 N ATOM 285 CA LYS A 19 12.242 -8.833 -9.662 1.00 14.25 C ATOM 286 C LYS A 19 12.726 -8.718 -8.220 1.00 33.34 C ATOM 287 O LYS A 19 12.951 -9.726 -7.548 1.00 1.12 O ATOM 288 CB LYS A 19 13.438 -9.012 -10.600 1.00 15.45 C ATOM 289 CG LYS A 19 13.072 -9.624 -11.941 1.00 25.45 C ATOM 290 CD LYS A 19 12.364 -8.623 -12.837 1.00 11.31 C ATOM 291 CE LYS A 19 12.450 -9.026 -14.301 1.00 24.21 C ATOM 292 NZ LYS A 19 11.341 -9.940 -14.691 1.00 22.22 N ATOM 0 H LYS A 19 11.830 -7.164 -10.863 1.00 22.33 H new ATOM 0 HA LYS A 19 11.593 -9.705 -9.741 1.00 14.25 H new ATOM 0 HB2 LYS A 19 13.906 -8.042 -10.768 1.00 15.45 H new ATOM 0 HB3 LYS A 19 14.180 -9.644 -10.112 1.00 15.45 H new ATOM 0 HG2 LYS A 19 13.974 -9.982 -12.437 1.00 25.45 H new ATOM 0 HG3 LYS A 19 12.429 -10.490 -11.783 1.00 25.45 H new ATOM 0 HD2 LYS A 19 11.318 -8.545 -12.541 1.00 11.31 H new ATOM 0 HD3 LYS A 19 12.808 -7.636 -12.704 1.00 11.31 H new ATOM 0 HE2 LYS A 19 12.421 -8.133 -14.926 1.00 24.21 H new ATOM 0 HE3 LYS A 19 13.406 -9.515 -14.487 1.00 24.21 H new ATOM 0 HZ1 LYS A 19 11.435 -10.191 -15.696 1.00 22.22 H new ATOM 0 HZ2 LYS A 19 11.383 -10.803 -14.113 1.00 22.22 H new ATOM 0 HZ3 LYS A 19 10.429 -9.464 -14.537 1.00 22.22 H new ATOM 306 N LEU A 20 12.882 -7.486 -7.749 1.00 43.11 N ATOM 307 CA LEU A 20 13.338 -7.240 -6.385 1.00 42.24 C ATOM 308 C LEU A 20 12.187 -7.376 -5.394 1.00 3.24 C ATOM 309 O LEU A 20 12.333 -7.992 -4.337 1.00 64.43 O ATOM 310 CB LEU A 20 13.957 -5.845 -6.278 1.00 23.24 C ATOM 311 CG LEU A 20 15.381 -5.699 -6.816 1.00 21.51 C ATOM 312 CD1 LEU A 20 15.808 -4.240 -6.808 1.00 10.20 C ATOM 313 CD2 LEU A 20 16.349 -6.544 -6.000 1.00 72.52 C ATOM 0 H LEU A 20 12.700 -6.642 -8.291 1.00 43.11 H new ATOM 0 HA LEU A 20 14.094 -7.986 -6.140 1.00 42.24 H new ATOM 0 HB2 LEU A 20 13.315 -5.143 -6.810 1.00 23.24 H new ATOM 0 HB3 LEU A 20 13.954 -5.548 -5.229 1.00 23.24 H new ATOM 0 HG LEU A 20 15.398 -6.055 -7.846 1.00 21.51 H new ATOM 0 HD11 LEU A 20 16.824 -4.156 -7.194 1.00 10.20 H new ATOM 0 HD12 LEU A 20 15.132 -3.660 -7.436 1.00 10.20 H new ATOM 0 HD13 LEU A 20 15.775 -3.857 -5.788 1.00 10.20 H new ATOM 0 HD21 LEU A 20 17.357 -6.428 -6.397 1.00 72.52 H new ATOM 0 HD22 LEU A 20 16.329 -6.218 -4.960 1.00 72.52 H new ATOM 0 HD23 LEU A 20 16.055 -7.592 -6.058 1.00 72.52 H new ATOM 325 N LEU A 21 11.043 -6.798 -5.741 1.00 34.20 N ATOM 326 CA LEU A 21 9.865 -6.857 -4.882 1.00 53.43 C ATOM 327 C LEU A 21 9.300 -8.273 -4.828 1.00 3.43 C ATOM 328 O LEU A 21 8.451 -8.581 -3.991 1.00 61.35 O ATOM 329 CB LEU A 21 8.794 -5.887 -5.386 1.00 33.51 C ATOM 330 CG LEU A 21 9.131 -4.400 -5.280 1.00 2.11 C ATOM 331 CD1 LEU A 21 8.299 -3.592 -6.263 1.00 74.24 C ATOM 332 CD2 LEU A 21 8.912 -3.903 -3.858 1.00 73.14 C ATOM 0 H LEU A 21 10.905 -6.283 -6.611 1.00 34.20 H new ATOM 0 HA LEU A 21 10.165 -6.567 -3.875 1.00 53.43 H new ATOM 0 HB2 LEU A 21 8.586 -6.118 -6.431 1.00 33.51 H new ATOM 0 HB3 LEU A 21 7.875 -6.071 -4.830 1.00 33.51 H new ATOM 0 HG LEU A 21 10.183 -4.267 -5.532 1.00 2.11 H new ATOM 0 HD11 LEU A 21 8.553 -2.536 -6.173 1.00 74.24 H new ATOM 0 HD12 LEU A 21 8.506 -3.929 -7.279 1.00 74.24 H new ATOM 0 HD13 LEU A 21 7.240 -3.731 -6.044 1.00 74.24 H new ATOM 0 HD21 LEU A 21 9.157 -2.842 -3.801 1.00 73.14 H new ATOM 0 HD22 LEU A 21 7.869 -4.050 -3.578 1.00 73.14 H new ATOM 0 HD23 LEU A 21 9.553 -4.460 -3.175 1.00 73.14 H new ATOM 344 N ASP A 22 9.779 -9.130 -5.723 1.00 1.53 N ATOM 345 CA ASP A 22 9.325 -10.514 -5.775 1.00 31.33 C ATOM 346 C ASP A 22 10.303 -11.434 -5.050 1.00 73.44 C ATOM 347 O ASP A 22 10.131 -12.653 -5.039 1.00 44.04 O ATOM 348 CB ASP A 22 9.161 -10.966 -7.227 1.00 11.52 C ATOM 349 CG ASP A 22 8.179 -12.112 -7.370 1.00 11.44 C ATOM 350 OD1 ASP A 22 8.587 -13.273 -7.158 1.00 11.03 O ATOM 351 OD2 ASP A 22 7.002 -11.847 -7.692 1.00 60.24 O ATOM 0 H ASP A 22 10.482 -8.890 -6.422 1.00 1.53 H new ATOM 0 HA ASP A 22 8.359 -10.572 -5.274 1.00 31.33 H new ATOM 0 HB2 ASP A 22 8.822 -10.124 -7.830 1.00 11.52 H new ATOM 0 HB3 ASP A 22 10.130 -11.271 -7.621 1.00 11.52 H new ATOM 356 N ALA A 23 11.329 -10.842 -4.448 1.00 34.43 N ATOM 357 CA ALA A 23 12.333 -11.609 -3.721 1.00 1.44 C ATOM 358 C ALA A 23 12.546 -11.044 -2.320 1.00 63.30 C ATOM 359 O ALA A 23 12.734 -11.792 -1.360 1.00 64.24 O ATOM 360 CB ALA A 23 13.645 -11.624 -4.491 1.00 1.40 C ATOM 0 H ALA A 23 11.487 -9.834 -4.449 1.00 34.43 H new ATOM 0 HA ALA A 23 11.971 -12.632 -3.621 1.00 1.44 H new ATOM 0 HB1 ALA A 23 14.386 -12.200 -3.937 1.00 1.40 H new ATOM 0 HB2 ALA A 23 13.488 -12.080 -5.469 1.00 1.40 H new ATOM 0 HB3 ALA A 23 14.003 -10.603 -4.620 1.00 1.40 H new ATOM 366 N VAL A 24 12.516 -9.720 -2.210 1.00 4.14 N ATOM 367 CA VAL A 24 12.706 -9.055 -0.926 1.00 21.31 C ATOM 368 C VAL A 24 11.576 -9.394 0.040 1.00 3.43 C ATOM 369 O VAL A 24 11.788 -9.494 1.248 1.00 23.33 O ATOM 370 CB VAL A 24 12.784 -7.526 -1.092 1.00 23.03 C ATOM 371 CG1 VAL A 24 13.982 -7.142 -1.947 1.00 60.11 C ATOM 372 CG2 VAL A 24 11.495 -6.989 -1.694 1.00 34.21 C ATOM 0 H VAL A 24 12.362 -9.086 -2.994 1.00 4.14 H new ATOM 0 HA VAL A 24 13.650 -9.417 -0.518 1.00 21.31 H new ATOM 0 HB VAL A 24 12.912 -7.077 -0.107 1.00 23.03 H new ATOM 0 HG11 VAL A 24 14.021 -6.058 -2.053 1.00 60.11 H new ATOM 0 HG12 VAL A 24 14.897 -7.493 -1.470 1.00 60.11 H new ATOM 0 HG13 VAL A 24 13.888 -7.600 -2.932 1.00 60.11 H new ATOM 0 HG21 VAL A 24 11.568 -5.907 -1.804 1.00 34.21 H new ATOM 0 HG22 VAL A 24 11.333 -7.443 -2.672 1.00 34.21 H new ATOM 0 HG23 VAL A 24 10.659 -7.231 -1.038 1.00 34.21 H new ATOM 382 N ALA A 25 10.375 -9.569 -0.501 1.00 0.44 N ATOM 383 CA ALA A 25 9.212 -9.898 0.313 1.00 34.31 C ATOM 384 C ALA A 25 9.446 -11.175 1.114 1.00 55.13 C ATOM 385 O ALA A 25 8.802 -11.404 2.138 1.00 53.44 O ATOM 386 CB ALA A 25 7.977 -10.042 -0.565 1.00 22.33 C ATOM 0 H ALA A 25 10.182 -9.488 -1.499 1.00 0.44 H new ATOM 0 HA ALA A 25 9.050 -9.083 1.018 1.00 34.31 H new ATOM 0 HB1 ALA A 25 7.116 -10.288 0.056 1.00 22.33 H new ATOM 0 HB2 ALA A 25 7.791 -9.104 -1.088 1.00 22.33 H new ATOM 0 HB3 ALA A 25 8.139 -10.837 -1.293 1.00 22.33 H new ATOM 392 N SER A 26 10.370 -12.004 0.640 1.00 2.10 N ATOM 393 CA SER A 26 10.686 -13.260 1.310 1.00 72.23 C ATOM 394 C SER A 26 11.552 -13.017 2.542 1.00 42.54 C ATOM 395 O SER A 26 11.377 -13.661 3.575 1.00 64.02 O ATOM 396 CB SER A 26 11.403 -14.209 0.348 1.00 72.44 C ATOM 397 OG SER A 26 12.790 -13.926 0.291 1.00 22.44 O ATOM 0 H SER A 26 10.913 -11.829 -0.205 1.00 2.10 H new ATOM 0 HA SER A 26 9.750 -13.717 1.631 1.00 72.23 H new ATOM 0 HB2 SER A 26 11.252 -15.240 0.669 1.00 72.44 H new ATOM 0 HB3 SER A 26 10.969 -14.119 -0.648 1.00 72.44 H new ATOM 0 HG SER A 26 12.937 -13.114 -0.238 1.00 22.44 H new ATOM 403 N GLY A 27 12.489 -12.080 2.423 1.00 15.21 N ATOM 404 CA GLY A 27 13.369 -11.767 3.533 1.00 1.53 C ATOM 405 C GLY A 27 14.593 -10.984 3.100 1.00 53.12 C ATOM 406 O GLY A 27 15.663 -11.556 2.896 1.00 41.45 O ATOM 0 H GLY A 27 12.654 -11.533 1.578 1.00 15.21 H new ATOM 0 HA2 GLY A 27 12.819 -11.192 4.278 1.00 1.53 H new ATOM 0 HA3 GLY A 27 13.685 -12.693 4.014 1.00 1.53 H new ATOM 410 N ALA A 28 14.434 -9.672 2.957 1.00 22.13 N ATOM 411 CA ALA A 28 15.535 -8.810 2.545 1.00 0.15 C ATOM 412 C ALA A 28 15.737 -7.667 3.535 1.00 60.13 C ATOM 413 O ALA A 28 14.973 -6.702 3.547 1.00 2.11 O ATOM 414 CB ALA A 28 15.283 -8.263 1.148 1.00 14.23 C ATOM 0 H ALA A 28 13.554 -9.183 3.120 1.00 22.13 H new ATOM 0 HA ALA A 28 16.446 -9.408 2.530 1.00 0.15 H new ATOM 0 HB1 ALA A 28 16.113 -7.621 0.853 1.00 14.23 H new ATOM 0 HB2 ALA A 28 15.196 -9.090 0.444 1.00 14.23 H new ATOM 0 HB3 ALA A 28 14.359 -7.685 1.145 1.00 14.23 H new ATOM 420 N SER A 29 16.770 -7.783 4.363 1.00 30.31 N ATOM 421 CA SER A 29 17.069 -6.761 5.359 1.00 25.54 C ATOM 422 C SER A 29 17.828 -5.596 4.731 1.00 22.34 C ATOM 423 O SER A 29 18.162 -4.622 5.407 1.00 45.25 O ATOM 424 CB SER A 29 17.888 -7.360 6.505 1.00 65.25 C ATOM 425 OG SER A 29 18.272 -6.362 7.434 1.00 14.50 O ATOM 0 H SER A 29 17.414 -8.574 4.364 1.00 30.31 H new ATOM 0 HA SER A 29 16.125 -6.386 5.754 1.00 25.54 H new ATOM 0 HB2 SER A 29 17.303 -8.127 7.012 1.00 65.25 H new ATOM 0 HB3 SER A 29 18.776 -7.849 6.104 1.00 65.25 H new ATOM 0 HG SER A 29 18.336 -5.497 6.977 1.00 14.50 H new ATOM 431 N LEU A 30 18.097 -5.704 3.435 1.00 41.00 N ATOM 432 CA LEU A 30 18.817 -4.660 2.714 1.00 54.05 C ATOM 433 C LEU A 30 18.181 -3.295 2.954 1.00 11.54 C ATOM 434 O LEU A 30 16.965 -3.182 3.101 1.00 13.23 O ATOM 435 CB LEU A 30 18.837 -4.969 1.215 1.00 15.25 C ATOM 436 CG LEU A 30 20.211 -5.250 0.606 1.00 14.33 C ATOM 437 CD1 LEU A 30 21.188 -4.139 0.959 1.00 21.42 C ATOM 438 CD2 LEU A 30 20.738 -6.597 1.078 1.00 11.12 C ATOM 0 H LEU A 30 17.828 -6.504 2.862 1.00 41.00 H new ATOM 0 HA LEU A 30 19.841 -4.634 3.088 1.00 54.05 H new ATOM 0 HB2 LEU A 30 18.198 -5.833 1.034 1.00 15.25 H new ATOM 0 HB3 LEU A 30 18.392 -4.127 0.685 1.00 15.25 H new ATOM 0 HG LEU A 30 20.107 -5.283 -0.479 1.00 14.33 H new ATOM 0 HD11 LEU A 30 22.161 -4.356 0.517 1.00 21.42 H new ATOM 0 HD12 LEU A 30 20.816 -3.191 0.571 1.00 21.42 H new ATOM 0 HD13 LEU A 30 21.288 -4.073 2.042 1.00 21.42 H new ATOM 0 HD21 LEU A 30 21.717 -6.780 0.635 1.00 11.12 H new ATOM 0 HD22 LEU A 30 20.827 -6.593 2.164 1.00 11.12 H new ATOM 0 HD23 LEU A 30 20.048 -7.384 0.774 1.00 11.12 H new ATOM 450 N GLY A 31 19.013 -2.258 2.992 1.00 61.13 N ATOM 451 CA GLY A 31 18.514 -0.913 3.213 1.00 72.53 C ATOM 452 C GLY A 31 19.004 0.066 2.165 1.00 11.42 C ATOM 453 O GLY A 31 18.284 0.990 1.782 1.00 64.41 O ATOM 0 H GLY A 31 20.024 -2.326 2.874 1.00 61.13 H new ATOM 0 HA2 GLY A 31 17.424 -0.928 3.210 1.00 72.53 H new ATOM 0 HA3 GLY A 31 18.826 -0.571 4.200 1.00 72.53 H new ATOM 457 N THR A 32 20.234 -0.132 1.701 1.00 74.04 N ATOM 458 CA THR A 32 20.821 0.743 0.693 1.00 34.34 C ATOM 459 C THR A 32 20.372 0.346 -0.708 1.00 61.34 C ATOM 460 O THR A 32 19.953 1.191 -1.499 1.00 33.34 O ATOM 461 CB THR A 32 22.359 0.716 0.755 1.00 45.55 C ATOM 462 OG1 THR A 32 22.792 0.371 2.075 1.00 15.54 O ATOM 463 CG2 THR A 32 22.940 2.067 0.362 1.00 32.21 C ATOM 0 H THR A 32 20.843 -0.891 2.007 1.00 74.04 H new ATOM 0 HA THR A 32 20.474 1.753 0.909 1.00 34.34 H new ATOM 0 HB THR A 32 22.715 -0.035 0.050 1.00 45.55 H new ATOM 0 HG1 THR A 32 23.771 0.355 2.104 1.00 15.54 H new ATOM 0 HG21 THR A 32 24.028 2.024 0.413 1.00 32.21 H new ATOM 0 HG22 THR A 32 22.634 2.313 -0.655 1.00 32.21 H new ATOM 0 HG23 THR A 32 22.575 2.833 1.046 1.00 32.21 H new ATOM 471 N ALA A 33 20.463 -0.945 -1.010 1.00 72.42 N ATOM 472 CA ALA A 33 20.063 -1.454 -2.316 1.00 65.43 C ATOM 473 C ALA A 33 18.619 -1.082 -2.633 1.00 1.43 C ATOM 474 O ALA A 33 18.285 -0.765 -3.775 1.00 31.14 O ATOM 475 CB ALA A 33 20.245 -2.964 -2.373 1.00 4.04 C ATOM 0 H ALA A 33 20.810 -1.657 -0.368 1.00 72.42 H new ATOM 0 HA ALA A 33 20.703 -0.993 -3.068 1.00 65.43 H new ATOM 0 HB1 ALA A 33 19.942 -3.330 -3.354 1.00 4.04 H new ATOM 0 HB2 ALA A 33 21.293 -3.211 -2.201 1.00 4.04 H new ATOM 0 HB3 ALA A 33 19.631 -3.434 -1.605 1.00 4.04 H new ATOM 481 N PHE A 34 17.766 -1.122 -1.615 1.00 11.34 N ATOM 482 CA PHE A 34 16.356 -0.790 -1.785 1.00 3.51 C ATOM 483 C PHE A 34 16.169 0.715 -1.960 1.00 22.30 C ATOM 484 O PHE A 34 15.229 1.162 -2.616 1.00 60.21 O ATOM 485 CB PHE A 34 15.546 -1.279 -0.583 1.00 22.13 C ATOM 486 CG PHE A 34 14.114 -1.589 -0.911 1.00 72.33 C ATOM 487 CD1 PHE A 34 13.799 -2.466 -1.937 1.00 53.42 C ATOM 488 CD2 PHE A 34 13.082 -1.005 -0.194 1.00 25.11 C ATOM 489 CE1 PHE A 34 12.481 -2.752 -2.242 1.00 65.10 C ATOM 490 CE2 PHE A 34 11.763 -1.288 -0.494 1.00 22.02 C ATOM 491 CZ PHE A 34 11.462 -2.164 -1.519 1.00 5.43 C ATOM 0 H PHE A 34 18.026 -1.381 -0.663 1.00 11.34 H new ATOM 0 HA PHE A 34 15.997 -1.291 -2.684 1.00 3.51 H new ATOM 0 HB2 PHE A 34 16.019 -2.173 -0.176 1.00 22.13 H new ATOM 0 HB3 PHE A 34 15.575 -0.519 0.198 1.00 22.13 H new ATOM 0 HD1 PHE A 34 14.592 -2.931 -2.504 1.00 53.42 H new ATOM 0 HD2 PHE A 34 13.311 -0.320 0.609 1.00 25.11 H new ATOM 0 HE1 PHE A 34 12.249 -3.435 -3.046 1.00 65.10 H new ATOM 0 HE2 PHE A 34 10.968 -0.825 0.072 1.00 22.02 H new ATOM 0 HZ PHE A 34 10.432 -2.388 -1.754 1.00 5.43 H new ATOM 501 N ALA A 35 17.071 1.490 -1.367 1.00 45.04 N ATOM 502 CA ALA A 35 17.008 2.943 -1.458 1.00 54.44 C ATOM 503 C ALA A 35 17.565 3.435 -2.790 1.00 1.11 C ATOM 504 O ALA A 35 17.240 4.533 -3.242 1.00 64.51 O ATOM 505 CB ALA A 35 17.764 3.578 -0.301 1.00 14.43 C ATOM 0 H ALA A 35 17.854 1.135 -0.818 1.00 45.04 H new ATOM 0 HA ALA A 35 15.961 3.240 -1.400 1.00 54.44 H new ATOM 0 HB1 ALA A 35 17.708 4.664 -0.382 1.00 14.43 H new ATOM 0 HB2 ALA A 35 17.319 3.261 0.642 1.00 14.43 H new ATOM 0 HB3 ALA A 35 18.808 3.265 -0.333 1.00 14.43 H new ATOM 511 N ALA A 36 18.406 2.616 -3.413 1.00 3.04 N ATOM 512 CA ALA A 36 19.008 2.968 -4.693 1.00 32.41 C ATOM 513 C ALA A 36 18.044 2.699 -5.844 1.00 43.41 C ATOM 514 O ALA A 36 18.275 3.134 -6.973 1.00 2.01 O ATOM 515 CB ALA A 36 20.304 2.197 -4.896 1.00 51.15 C ATOM 0 H ALA A 36 18.686 1.704 -3.052 1.00 3.04 H new ATOM 0 HA ALA A 36 19.231 4.035 -4.682 1.00 32.41 H new ATOM 0 HB1 ALA A 36 20.743 2.469 -5.856 1.00 51.15 H new ATOM 0 HB2 ALA A 36 21.002 2.441 -4.095 1.00 51.15 H new ATOM 0 HB3 ALA A 36 20.097 1.127 -4.883 1.00 51.15 H new ATOM 521 N ILE A 37 16.965 1.981 -5.551 1.00 45.24 N ATOM 522 CA ILE A 37 15.967 1.656 -6.563 1.00 24.03 C ATOM 523 C ILE A 37 14.693 2.468 -6.359 1.00 2.42 C ATOM 524 O ILE A 37 13.974 2.765 -7.313 1.00 53.54 O ATOM 525 CB ILE A 37 15.615 0.157 -6.545 1.00 24.34 C ATOM 526 CG1 ILE A 37 15.227 -0.281 -5.131 1.00 34.10 C ATOM 527 CG2 ILE A 37 16.786 -0.668 -7.057 1.00 62.53 C ATOM 528 CD1 ILE A 37 14.628 -1.669 -5.071 1.00 51.05 C ATOM 0 H ILE A 37 16.760 1.613 -4.622 1.00 45.24 H new ATOM 0 HA ILE A 37 16.404 1.907 -7.529 1.00 24.03 H new ATOM 0 HB ILE A 37 14.763 -0.009 -7.204 1.00 24.34 H new ATOM 0 HG12 ILE A 37 16.111 -0.248 -4.494 1.00 34.10 H new ATOM 0 HG13 ILE A 37 14.512 0.433 -4.722 1.00 34.10 H new ATOM 0 HG21 ILE A 37 16.522 -1.725 -7.038 1.00 62.53 H new ATOM 0 HG22 ILE A 37 17.021 -0.371 -8.079 1.00 62.53 H new ATOM 0 HG23 ILE A 37 17.655 -0.500 -6.421 1.00 62.53 H new ATOM 0 HD11 ILE A 37 14.377 -1.913 -4.039 1.00 51.05 H new ATOM 0 HD12 ILE A 37 13.726 -1.703 -5.681 1.00 51.05 H new ATOM 0 HD13 ILE A 37 15.349 -2.393 -5.450 1.00 51.05 H new ATOM 540 N LEU A 38 14.420 2.827 -5.109 1.00 64.31 N ATOM 541 CA LEU A 38 13.233 3.607 -4.779 1.00 2.42 C ATOM 542 C LEU A 38 13.568 5.092 -4.681 1.00 52.40 C ATOM 543 O LEU A 38 12.808 5.874 -4.112 1.00 14.32 O ATOM 544 CB LEU A 38 12.629 3.121 -3.460 1.00 44.12 C ATOM 545 CG LEU A 38 11.494 2.103 -3.577 1.00 2.33 C ATOM 546 CD1 LEU A 38 12.048 0.717 -3.865 1.00 62.40 C ATOM 547 CD2 LEU A 38 10.656 2.091 -2.307 1.00 1.34 C ATOM 0 H LEU A 38 15.005 2.590 -4.308 1.00 64.31 H new ATOM 0 HA LEU A 38 12.504 3.469 -5.578 1.00 2.42 H new ATOM 0 HB2 LEU A 38 13.425 2.681 -2.859 1.00 44.12 H new ATOM 0 HB3 LEU A 38 12.258 3.987 -2.912 1.00 44.12 H new ATOM 0 HG LEU A 38 10.853 2.396 -4.409 1.00 2.33 H new ATOM 0 HD11 LEU A 38 11.226 0.006 -3.945 1.00 62.40 H new ATOM 0 HD12 LEU A 38 12.604 0.735 -4.802 1.00 62.40 H new ATOM 0 HD13 LEU A 38 12.712 0.415 -3.055 1.00 62.40 H new ATOM 0 HD21 LEU A 38 9.853 1.361 -2.408 1.00 1.34 H new ATOM 0 HD22 LEU A 38 11.285 1.823 -1.458 1.00 1.34 H new ATOM 0 HD23 LEU A 38 10.229 3.080 -2.144 1.00 1.34 H new ATOM 559 N GLY A 39 14.711 5.475 -5.243 1.00 31.44 N ATOM 560 CA GLY A 39 15.125 6.865 -5.209 1.00 42.05 C ATOM 561 C GLY A 39 15.076 7.517 -6.577 1.00 14.52 C ATOM 562 O GLY A 39 15.192 8.737 -6.695 1.00 55.43 O ATOM 0 H GLY A 39 15.357 4.847 -5.721 1.00 31.44 H new ATOM 0 HA2 GLY A 39 14.481 7.416 -4.524 1.00 42.05 H new ATOM 0 HA3 GLY A 39 16.139 6.930 -4.815 1.00 42.05 H new ATOM 566 N VAL A 40 14.904 6.703 -7.614 1.00 4.35 N ATOM 567 CA VAL A 40 14.840 7.208 -8.980 1.00 4.32 C ATOM 568 C VAL A 40 13.468 7.799 -9.284 1.00 22.23 C ATOM 569 O VAL A 40 13.345 8.743 -10.065 1.00 13.14 O ATOM 570 CB VAL A 40 15.148 6.099 -10.003 1.00 71.01 C ATOM 571 CG1 VAL A 40 14.236 4.902 -9.783 1.00 21.50 C ATOM 572 CG2 VAL A 40 15.010 6.630 -11.422 1.00 4.52 C ATOM 0 H VAL A 40 14.806 5.691 -7.534 1.00 4.35 H new ATOM 0 HA VAL A 40 15.595 7.989 -9.064 1.00 4.32 H new ATOM 0 HB VAL A 40 16.178 5.773 -9.860 1.00 71.01 H new ATOM 0 HG11 VAL A 40 14.468 4.128 -10.515 1.00 21.50 H new ATOM 0 HG12 VAL A 40 14.388 4.508 -8.778 1.00 21.50 H new ATOM 0 HG13 VAL A 40 13.197 5.210 -9.898 1.00 21.50 H new ATOM 0 HG21 VAL A 40 15.231 5.833 -12.132 1.00 4.52 H new ATOM 0 HG22 VAL A 40 13.992 6.985 -11.580 1.00 4.52 H new ATOM 0 HG23 VAL A 40 15.708 7.453 -11.572 1.00 4.52 H new ATOM 582 N THR A 41 12.437 7.237 -8.661 1.00 32.21 N ATOM 583 CA THR A 41 11.072 7.707 -8.865 1.00 24.33 C ATOM 584 C THR A 41 10.309 7.766 -7.547 1.00 34.22 C ATOM 585 O THR A 41 9.559 8.710 -7.294 1.00 32.23 O ATOM 586 CB THR A 41 10.307 6.801 -9.848 1.00 43.02 C ATOM 587 OG1 THR A 41 8.919 7.151 -9.858 1.00 11.31 O ATOM 588 CG2 THR A 41 10.463 5.336 -9.468 1.00 44.33 C ATOM 0 H THR A 41 12.521 6.456 -8.011 1.00 32.21 H new ATOM 0 HA THR A 41 11.142 8.710 -9.287 1.00 24.33 H new ATOM 0 HB THR A 41 10.726 6.948 -10.844 1.00 43.02 H new ATOM 0 HG1 THR A 41 8.440 6.571 -10.487 1.00 11.31 H new ATOM 0 HG21 THR A 41 9.914 4.716 -10.177 1.00 44.33 H new ATOM 0 HG22 THR A 41 11.518 5.065 -9.490 1.00 44.33 H new ATOM 0 HG23 THR A 41 10.068 5.176 -8.465 1.00 44.33 H new ATOM 596 N LEU A 42 10.504 6.753 -6.710 1.00 15.04 N ATOM 597 CA LEU A 42 9.833 6.690 -5.416 1.00 10.15 C ATOM 598 C LEU A 42 10.463 7.667 -4.428 1.00 11.02 C ATOM 599 O LEU A 42 11.596 8.117 -4.599 1.00 51.22 O ATOM 600 CB LEU A 42 9.896 5.268 -4.855 1.00 2.42 C ATOM 601 CG LEU A 42 8.766 4.329 -5.277 1.00 51.34 C ATOM 602 CD1 LEU A 42 9.172 3.523 -6.501 1.00 74.41 C ATOM 603 CD2 LEU A 42 8.383 3.406 -4.130 1.00 70.43 C ATOM 0 H LEU A 42 11.121 5.964 -6.904 1.00 15.04 H new ATOM 0 HA LEU A 42 8.790 6.971 -5.561 1.00 10.15 H new ATOM 0 HB2 LEU A 42 10.844 4.822 -5.156 1.00 2.42 H new ATOM 0 HB3 LEU A 42 9.904 5.328 -3.767 1.00 2.42 H new ATOM 0 HG LEU A 42 7.896 4.932 -5.537 1.00 51.34 H new ATOM 0 HD11 LEU A 42 8.356 2.860 -6.787 1.00 74.41 H new ATOM 0 HD12 LEU A 42 9.395 4.201 -7.325 1.00 74.41 H new ATOM 0 HD13 LEU A 42 10.057 2.930 -6.269 1.00 74.41 H new ATOM 0 HD21 LEU A 42 7.577 2.745 -4.449 1.00 70.43 H new ATOM 0 HD22 LEU A 42 9.248 2.810 -3.838 1.00 70.43 H new ATOM 0 HD23 LEU A 42 8.049 4.001 -3.280 1.00 70.43 H new ATOM 615 N PRO A 43 9.713 8.002 -3.367 1.00 45.11 N ATOM 616 CA PRO A 43 10.179 8.927 -2.329 1.00 61.32 C ATOM 617 C PRO A 43 11.293 8.328 -1.477 1.00 12.02 C ATOM 618 O PRO A 43 11.823 7.263 -1.791 1.00 3.02 O ATOM 619 CB PRO A 43 8.928 9.168 -1.481 1.00 74.25 C ATOM 620 CG PRO A 43 8.090 7.953 -1.688 1.00 41.25 C ATOM 621 CD PRO A 43 8.354 7.504 -3.099 1.00 20.31 C ATOM 0 HA PRO A 43 10.604 9.836 -2.754 1.00 61.32 H new ATOM 0 HB2 PRO A 43 9.182 9.299 -0.429 1.00 74.25 H new ATOM 0 HB3 PRO A 43 8.403 10.070 -1.797 1.00 74.25 H new ATOM 0 HG2 PRO A 43 8.352 7.172 -0.974 1.00 41.25 H new ATOM 0 HG3 PRO A 43 7.034 8.178 -1.541 1.00 41.25 H new ATOM 0 HD2 PRO A 43 8.298 6.419 -3.193 1.00 20.31 H new ATOM 0 HD3 PRO A 43 7.628 7.922 -3.796 1.00 20.31 H new ATOM 629 N ALA A 44 11.642 9.020 -0.397 1.00 32.51 N ATOM 630 CA ALA A 44 12.691 8.554 0.502 1.00 13.41 C ATOM 631 C ALA A 44 12.100 8.000 1.794 1.00 4.44 C ATOM 632 O ALA A 44 12.685 7.122 2.428 1.00 60.30 O ATOM 633 CB ALA A 44 13.665 9.683 0.806 1.00 55.32 C ATOM 0 H ALA A 44 11.214 9.905 -0.124 1.00 32.51 H new ATOM 0 HA ALA A 44 13.230 7.748 0.005 1.00 13.41 H new ATOM 0 HB1 ALA A 44 14.443 9.321 1.478 1.00 55.32 H new ATOM 0 HB2 ALA A 44 14.120 10.031 -0.122 1.00 55.32 H new ATOM 0 HB3 ALA A 44 13.131 10.507 1.279 1.00 55.32 H new ATOM 639 N TRP A 45 10.940 8.520 2.179 1.00 24.24 N ATOM 640 CA TRP A 45 10.272 8.077 3.398 1.00 73.24 C ATOM 641 C TRP A 45 9.768 6.645 3.252 1.00 12.22 C ATOM 642 O TRP A 45 9.681 5.905 4.232 1.00 45.52 O ATOM 643 CB TRP A 45 9.106 9.009 3.732 1.00 43.30 C ATOM 644 CG TRP A 45 8.002 8.966 2.720 1.00 35.21 C ATOM 645 CD1 TRP A 45 7.808 9.830 1.680 1.00 22.31 C ATOM 646 CD2 TRP A 45 6.937 8.010 2.654 1.00 45.25 C ATOM 647 NE1 TRP A 45 6.688 9.469 0.971 1.00 30.31 N ATOM 648 CE2 TRP A 45 6.136 8.355 1.547 1.00 3.24 C ATOM 649 CE3 TRP A 45 6.585 6.896 3.419 1.00 34.21 C ATOM 650 CZ2 TRP A 45 5.005 7.625 1.192 1.00 42.55 C ATOM 651 CZ3 TRP A 45 5.461 6.173 3.065 1.00 65.22 C ATOM 652 CH2 TRP A 45 4.683 6.539 1.959 1.00 40.22 C ATOM 0 H TRP A 45 10.443 9.248 1.666 1.00 24.24 H new ATOM 0 HA TRP A 45 10.997 8.107 4.212 1.00 73.24 H new ATOM 0 HB2 TRP A 45 8.704 8.740 4.709 1.00 43.30 H new ATOM 0 HB3 TRP A 45 9.478 10.031 3.810 1.00 43.30 H new ATOM 0 HD1 TRP A 45 8.442 10.673 1.449 1.00 22.31 H new ATOM 0 HE1 TRP A 45 6.326 9.952 0.149 1.00 30.31 H new ATOM 0 HE3 TRP A 45 7.180 6.604 4.272 1.00 34.21 H new ATOM 0 HZ2 TRP A 45 4.403 7.906 0.341 1.00 42.55 H new ATOM 0 HZ3 TRP A 45 5.178 5.311 3.651 1.00 65.22 H new ATOM 0 HH2 TRP A 45 3.812 5.952 1.707 1.00 40.22 H new ATOM 663 N ALA A 46 9.437 6.261 2.024 1.00 74.12 N ATOM 664 CA ALA A 46 8.943 4.917 1.751 1.00 65.41 C ATOM 665 C ALA A 46 9.884 3.861 2.321 1.00 22.50 C ATOM 666 O ALA A 46 9.456 2.764 2.683 1.00 23.24 O ATOM 667 CB ALA A 46 8.765 4.714 0.254 1.00 72.14 C ATOM 0 H ALA A 46 9.502 6.862 1.202 1.00 74.12 H new ATOM 0 HA ALA A 46 7.975 4.806 2.239 1.00 65.41 H new ATOM 0 HB1 ALA A 46 8.396 3.706 0.065 1.00 72.14 H new ATOM 0 HB2 ALA A 46 8.049 5.441 -0.129 1.00 72.14 H new ATOM 0 HB3 ALA A 46 9.723 4.849 -0.248 1.00 72.14 H new ATOM 673 N LEU A 47 11.167 4.197 2.397 1.00 0.04 N ATOM 674 CA LEU A 47 12.169 3.277 2.923 1.00 24.23 C ATOM 675 C LEU A 47 11.918 2.984 4.399 1.00 65.40 C ATOM 676 O LEU A 47 11.963 1.832 4.829 1.00 32.53 O ATOM 677 CB LEU A 47 13.572 3.859 2.739 1.00 52.34 C ATOM 678 CG LEU A 47 13.938 4.290 1.318 1.00 52.31 C ATOM 679 CD1 LEU A 47 15.210 5.123 1.324 1.00 40.50 C ATOM 680 CD2 LEU A 47 14.098 3.075 0.416 1.00 23.15 C ATOM 0 H LEU A 47 11.538 5.100 2.101 1.00 0.04 H new ATOM 0 HA LEU A 47 12.094 2.342 2.368 1.00 24.23 H new ATOM 0 HB2 LEU A 47 13.675 4.722 3.397 1.00 52.34 H new ATOM 0 HB3 LEU A 47 14.298 3.117 3.071 1.00 52.34 H new ATOM 0 HG LEU A 47 13.128 4.904 0.925 1.00 52.31 H new ATOM 0 HD11 LEU A 47 15.455 5.421 0.304 1.00 40.50 H new ATOM 0 HD12 LEU A 47 15.059 6.013 1.935 1.00 40.50 H new ATOM 0 HD13 LEU A 47 16.029 4.534 1.737 1.00 40.50 H new ATOM 0 HD21 LEU A 47 14.358 3.401 -0.591 1.00 23.15 H new ATOM 0 HD22 LEU A 47 14.889 2.434 0.806 1.00 23.15 H new ATOM 0 HD23 LEU A 47 13.161 2.518 0.386 1.00 23.15 H new ATOM 692 N ALA A 48 11.653 4.034 5.169 1.00 72.22 N ATOM 693 CA ALA A 48 11.390 3.889 6.595 1.00 23.52 C ATOM 694 C ALA A 48 10.005 3.300 6.841 1.00 23.14 C ATOM 695 O ALA A 48 9.803 2.540 7.788 1.00 71.34 O ATOM 696 CB ALA A 48 11.527 5.232 7.297 1.00 64.24 C ATOM 0 H ALA A 48 11.615 4.995 4.829 1.00 72.22 H new ATOM 0 HA ALA A 48 12.127 3.200 7.007 1.00 23.52 H new ATOM 0 HB1 ALA A 48 11.328 5.108 8.361 1.00 64.24 H new ATOM 0 HB2 ALA A 48 12.539 5.613 7.159 1.00 64.24 H new ATOM 0 HB3 ALA A 48 10.813 5.938 6.874 1.00 64.24 H new ATOM 702 N ALA A 49 9.055 3.657 5.984 1.00 53.20 N ATOM 703 CA ALA A 49 7.689 3.163 6.108 1.00 1.11 C ATOM 704 C ALA A 49 7.628 1.656 5.883 1.00 11.11 C ATOM 705 O ALA A 49 6.723 0.982 6.373 1.00 14.14 O ATOM 706 CB ALA A 49 6.776 3.883 5.126 1.00 21.35 C ATOM 0 H ALA A 49 9.206 4.287 5.196 1.00 53.20 H new ATOM 0 HA ALA A 49 7.346 3.367 7.122 1.00 1.11 H new ATOM 0 HB1 ALA A 49 5.759 3.504 5.230 1.00 21.35 H new ATOM 0 HB2 ALA A 49 6.788 4.953 5.335 1.00 21.35 H new ATOM 0 HB3 ALA A 49 7.126 3.709 4.109 1.00 21.35 H new ATOM 712 N ALA A 50 8.597 1.134 5.138 1.00 74.01 N ATOM 713 CA ALA A 50 8.653 -0.294 4.849 1.00 0.32 C ATOM 714 C ALA A 50 8.557 -1.117 6.129 1.00 4.23 C ATOM 715 O ALA A 50 8.054 -2.239 6.121 1.00 71.20 O ATOM 716 CB ALA A 50 9.932 -0.630 4.097 1.00 4.15 C ATOM 0 H ALA A 50 9.354 1.678 4.724 1.00 74.01 H new ATOM 0 HA ALA A 50 7.799 -0.547 4.221 1.00 0.32 H new ATOM 0 HB1 ALA A 50 9.961 -1.699 3.888 1.00 4.15 H new ATOM 0 HB2 ALA A 50 9.959 -0.076 3.159 1.00 4.15 H new ATOM 0 HB3 ALA A 50 10.794 -0.356 4.705 1.00 4.15 H new ATOM 722 N GLY A 51 9.045 -0.551 7.229 1.00 23.03 N ATOM 723 CA GLY A 51 9.006 -1.248 8.502 1.00 52.42 C ATOM 724 C GLY A 51 8.647 -0.330 9.654 1.00 71.40 C ATOM 725 O GLY A 51 8.942 -0.631 10.810 1.00 3.52 O ATOM 0 H GLY A 51 9.466 0.377 7.261 1.00 23.03 H new ATOM 0 HA2 GLY A 51 8.279 -2.058 8.447 1.00 52.42 H new ATOM 0 HA3 GLY A 51 9.978 -1.704 8.693 1.00 52.42 H new ATOM 729 N ALA A 52 8.009 0.792 9.338 1.00 4.22 N ATOM 730 CA ALA A 52 7.610 1.756 10.356 1.00 33.00 C ATOM 731 C ALA A 52 6.355 1.292 11.088 1.00 1.55 C ATOM 732 O ALA A 52 6.423 0.839 12.232 1.00 50.31 O ATOM 733 CB ALA A 52 7.382 3.123 9.728 1.00 70.10 C ATOM 0 H ALA A 52 7.757 1.056 8.385 1.00 4.22 H new ATOM 0 HA ALA A 52 8.417 1.833 11.085 1.00 33.00 H new ATOM 0 HB1 ALA A 52 7.085 3.833 10.500 1.00 70.10 H new ATOM 0 HB2 ALA A 52 8.303 3.465 9.256 1.00 70.10 H new ATOM 0 HB3 ALA A 52 6.595 3.052 8.978 1.00 70.10 H new ATOM 739 N LEU A 53 5.211 1.409 10.424 1.00 52.20 N ATOM 740 CA LEU A 53 3.939 1.003 11.012 1.00 24.55 C ATOM 741 C LEU A 53 3.771 -0.512 10.952 1.00 22.31 C ATOM 742 O LEU A 53 3.847 -1.197 11.971 1.00 4.35 O ATOM 743 CB LEU A 53 2.778 1.685 10.288 1.00 10.31 C ATOM 744 CG LEU A 53 2.483 3.127 10.703 1.00 41.32 C ATOM 745 CD1 LEU A 53 3.313 4.100 9.880 1.00 65.12 C ATOM 746 CD2 LEU A 53 0.999 3.432 10.555 1.00 65.12 C ATOM 0 H LEU A 53 5.138 1.782 9.477 1.00 52.20 H new ATOM 0 HA LEU A 53 3.936 1.310 12.058 1.00 24.55 H new ATOM 0 HB2 LEU A 53 2.985 1.671 9.218 1.00 10.31 H new ATOM 0 HB3 LEU A 53 1.878 1.091 10.446 1.00 10.31 H new ATOM 0 HG LEU A 53 2.755 3.246 11.752 1.00 41.32 H new ATOM 0 HD11 LEU A 53 3.090 5.121 10.189 1.00 65.12 H new ATOM 0 HD12 LEU A 53 4.372 3.897 10.036 1.00 65.12 H new ATOM 0 HD13 LEU A 53 3.073 3.980 8.824 1.00 65.12 H new ATOM 0 HD21 LEU A 53 0.808 4.462 10.855 1.00 65.12 H new ATOM 0 HD22 LEU A 53 0.701 3.295 9.515 1.00 65.12 H new ATOM 0 HD23 LEU A 53 0.424 2.757 11.189 1.00 65.12 H new ATOM 758 N GLY A 54 3.544 -1.030 9.749 1.00 71.04 N ATOM 759 CA GLY A 54 3.371 -2.461 9.577 1.00 12.41 C ATOM 760 C GLY A 54 2.758 -2.814 8.236 1.00 2.13 C ATOM 761 O GLY A 54 1.929 -3.719 8.144 1.00 3.22 O ATOM 0 H GLY A 54 3.477 -0.484 8.890 1.00 71.04 H new ATOM 0 HA2 GLY A 54 4.338 -2.955 9.672 1.00 12.41 H new ATOM 0 HA3 GLY A 54 2.737 -2.846 10.376 1.00 12.41 H new ATOM 765 N ALA A 55 3.166 -2.097 7.194 1.00 33.00 N ATOM 766 CA ALA A 55 2.652 -2.340 5.852 1.00 74.01 C ATOM 767 C ALA A 55 3.552 -3.303 5.085 1.00 33.03 C ATOM 768 O ALA A 55 4.709 -2.993 4.798 1.00 75.41 O ATOM 769 CB ALA A 55 2.513 -1.028 5.094 1.00 12.24 C ATOM 0 H ALA A 55 3.851 -1.343 7.254 1.00 33.00 H new ATOM 0 HA ALA A 55 1.668 -2.799 5.945 1.00 74.01 H new ATOM 0 HB1 ALA A 55 2.128 -1.225 4.093 1.00 12.24 H new ATOM 0 HB2 ALA A 55 1.823 -0.372 5.625 1.00 12.24 H new ATOM 0 HB3 ALA A 55 3.488 -0.546 5.019 1.00 12.24 H new ATOM 775 N THR A 56 3.014 -4.474 4.756 1.00 1.34 N ATOM 776 CA THR A 56 3.769 -5.483 4.025 1.00 42.12 C ATOM 777 C THR A 56 3.164 -5.732 2.648 1.00 13.02 C ATOM 778 O THR A 56 3.874 -6.057 1.697 1.00 34.41 O ATOM 779 CB THR A 56 3.823 -6.814 4.798 1.00 63.12 C ATOM 780 OG1 THR A 56 4.658 -7.749 4.106 1.00 44.03 O ATOM 781 CG2 THR A 56 2.429 -7.399 4.966 1.00 62.43 C ATOM 0 H THR A 56 2.058 -4.746 4.985 1.00 1.34 H new ATOM 0 HA THR A 56 4.782 -5.097 3.909 1.00 42.12 H new ATOM 0 HB THR A 56 4.239 -6.618 5.786 1.00 63.12 H new ATOM 0 HG1 THR A 56 4.688 -8.592 4.605 1.00 44.03 H new ATOM 0 HG21 THR A 56 2.492 -8.339 5.515 1.00 62.43 H new ATOM 0 HG22 THR A 56 1.804 -6.697 5.519 1.00 62.43 H new ATOM 0 HG23 THR A 56 1.990 -7.581 3.985 1.00 62.43 H new ATOM 789 N ALA A 57 1.848 -5.576 2.549 1.00 74.32 N ATOM 790 CA ALA A 57 1.147 -5.782 1.287 1.00 2.21 C ATOM 791 C ALA A 57 0.441 -4.507 0.837 1.00 23.12 C ATOM 792 O ALA A 57 0.038 -4.385 -0.319 1.00 11.10 O ATOM 793 CB ALA A 57 0.149 -6.922 1.417 1.00 33.45 C ATOM 0 H ALA A 57 1.246 -5.308 3.327 1.00 74.32 H new ATOM 0 HA ALA A 57 1.885 -6.045 0.529 1.00 2.21 H new ATOM 0 HB1 ALA A 57 -0.367 -7.064 0.467 1.00 33.45 H new ATOM 0 HB2 ALA A 57 0.676 -7.838 1.685 1.00 33.45 H new ATOM 0 HB3 ALA A 57 -0.578 -6.682 2.192 1.00 33.45 H new ATOM 799 N ALA A 58 0.295 -3.561 1.759 1.00 51.45 N ATOM 800 CA ALA A 58 -0.361 -2.295 1.456 1.00 53.23 C ATOM 801 C ALA A 58 0.297 -1.606 0.265 1.00 21.11 C ATOM 802 O ALA A 58 -0.370 -1.261 -0.711 1.00 64.24 O ATOM 803 CB ALA A 58 -0.338 -1.384 2.674 1.00 52.40 C ATOM 0 H ALA A 58 0.622 -3.647 2.721 1.00 51.45 H new ATOM 0 HA ALA A 58 -1.398 -2.506 1.193 1.00 53.23 H new ATOM 0 HB1 ALA A 58 -0.831 -0.442 2.433 1.00 52.40 H new ATOM 0 HB2 ALA A 58 -0.861 -1.867 3.499 1.00 52.40 H new ATOM 0 HB3 ALA A 58 0.695 -1.189 2.963 1.00 52.40 H new