USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 604 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 71 THR OG1 : rot 167:sc= 0.595 USER MOD Set 1.2: A 72 ASN : amide:sc= -1.42! K(o=-0.82!,f=0.48) USER MOD Set 2.1: A 18 MET CE :methyl 161:sc= 0 (180deg=-0.025) USER MOD Set 2.2: A 64 GLN : amide:sc= -3.79! C(o=-3.8!,f=-6.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.334 K(o=-0.33,f=-3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.09 K(o=-1.1,f=0.14) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 40 MET CE :methyl 180:sc= -0.361 (180deg=-0.361) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -49:sc= -0.146 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00593 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.668 K(o=-0.67,f=-0.08) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0.538) USER MOD Single : A 65 ASN : amide:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0119 (180deg=-0.202) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -7.286 1.814 30.178 1.00 0.00 N ATOM 2 CA SER A 7 -6.872 1.092 28.998 1.00 0.00 C ATOM 3 C SER A 7 -7.797 -0.102 28.820 1.00 0.00 C ATOM 4 O SER A 7 -8.505 -0.490 29.764 1.00 0.00 O ATOM 5 CB SER A 7 -5.396 0.649 29.142 1.00 0.00 C ATOM 6 OG SER A 7 -4.915 -0.021 27.973 1.00 0.00 O ATOM 0 HA SER A 7 -6.937 1.728 28.115 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.774 1.522 29.340 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.300 -0.012 30.003 1.00 0.00 H new ATOM 0 HG SER A 7 -3.980 -0.281 28.107 1.00 0.00 H new ATOM 12 N GLY A 8 -7.830 -0.655 27.628 1.00 0.00 N ATOM 13 CA GLY A 8 -8.660 -1.784 27.353 1.00 0.00 C ATOM 14 C GLY A 8 -8.914 -1.902 25.880 1.00 0.00 C ATOM 15 O GLY A 8 -8.687 -0.942 25.137 1.00 0.00 O ATOM 0 H GLY A 8 -7.281 -0.329 26.832 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.182 -2.692 27.720 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.606 -1.685 27.885 1.00 0.00 H new ATOM 19 N ARG A 9 -9.400 -3.042 25.456 1.00 0.00 N ATOM 20 CA ARG A 9 -9.650 -3.294 24.065 1.00 0.00 C ATOM 21 C ARG A 9 -11.051 -2.902 23.715 1.00 0.00 C ATOM 22 O ARG A 9 -11.984 -3.699 23.763 1.00 0.00 O ATOM 23 CB ARG A 9 -9.349 -4.745 23.667 1.00 0.00 C ATOM 24 CG ARG A 9 -7.880 -5.110 23.774 1.00 0.00 C ATOM 25 CD ARG A 9 -7.623 -6.538 23.345 1.00 0.00 C ATOM 26 NE ARG A 9 -6.190 -6.885 23.408 1.00 0.00 N ATOM 27 CZ ARG A 9 -5.701 -8.132 23.315 1.00 0.00 C ATOM 28 NH1 ARG A 9 -6.527 -9.167 23.190 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 -4.384 -8.335 23.352 1.00 0.00 N ATOM 0 H ARG A 9 -9.633 -3.822 26.071 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.962 -2.677 23.487 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.929 -5.415 24.302 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.682 -4.909 22.642 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.291 -4.433 23.155 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.546 -4.974 24.802 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.189 -7.216 23.984 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.986 -6.682 22.327 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.523 -6.123 23.531 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.535 -9.015 23.165 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.152 -10.113 23.120 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.749 -7.543 23.451 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.012 -9.282 23.281 1.00 0.00 H new ATOM 43 N GLU A 10 -11.192 -1.658 23.482 1.00 0.00 N ATOM 44 CA GLU A 10 -12.424 -1.064 23.098 1.00 0.00 C ATOM 45 C GLU A 10 -12.544 -1.118 21.582 1.00 0.00 C ATOM 46 O GLU A 10 -11.605 -0.767 20.854 1.00 0.00 O ATOM 47 CB GLU A 10 -12.468 0.367 23.609 1.00 0.00 C ATOM 48 CG GLU A 10 -13.724 1.119 23.262 1.00 0.00 C ATOM 49 CD GLU A 10 -13.706 2.511 23.799 1.00 0.00 C ATOM 50 OE1 GLU A 10 -12.892 3.329 23.324 1.00 0.00 O1- ATOM 51 OE2 GLU A 10 -14.483 2.814 24.719 1.00 0.00 O ATOM 0 H GLU A 10 -10.424 -0.990 23.554 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.266 -1.605 23.530 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.355 0.355 24.693 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.613 0.909 23.206 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.841 1.149 22.179 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.588 0.587 23.661 1.00 0.00 H new ATOM 58 N ASN A 11 -13.670 -1.554 21.109 1.00 0.00 N ATOM 59 CA ASN A 11 -13.864 -1.725 19.696 1.00 0.00 C ATOM 60 C ASN A 11 -15.181 -1.138 19.230 1.00 0.00 C ATOM 61 O ASN A 11 -16.245 -1.770 19.331 1.00 0.00 O ATOM 62 CB ASN A 11 -13.769 -3.208 19.294 1.00 0.00 C ATOM 63 CG ASN A 11 -13.711 -3.439 17.775 1.00 0.00 C ATOM 64 OD1 ASN A 11 -14.256 -2.678 16.972 1.00 0.00 O ATOM 65 ND2 ASN A 11 -13.028 -4.476 17.375 1.00 0.00 N ATOM 0 H ASN A 11 -14.477 -1.801 21.683 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.061 -1.179 19.200 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.880 -3.642 19.752 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.629 -3.740 19.700 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.936 -4.672 16.378 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.586 -5.091 18.059 1.00 0.00 H new ATOM 72 N LEU A 12 -15.124 0.080 18.806 1.00 0.00 N ATOM 73 CA LEU A 12 -16.225 0.689 18.107 1.00 0.00 C ATOM 74 C LEU A 12 -15.910 0.603 16.642 1.00 0.00 C ATOM 75 O LEU A 12 -14.777 0.892 16.235 1.00 0.00 O ATOM 76 CB LEU A 12 -16.478 2.160 18.515 1.00 0.00 C ATOM 77 CG LEU A 12 -17.183 2.418 19.861 1.00 0.00 C ATOM 78 CD1 LEU A 12 -16.359 1.957 21.042 1.00 0.00 C ATOM 79 CD2 LEU A 12 -17.540 3.888 19.999 1.00 0.00 C ATOM 0 H LEU A 12 -14.315 0.689 18.930 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.142 0.158 18.363 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.516 2.672 18.536 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.072 2.629 17.730 1.00 0.00 H new ATOM 0 HG LEU A 12 -18.099 1.827 19.863 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.901 2.162 21.966 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.173 0.886 20.960 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.409 2.491 21.053 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -18.037 4.054 20.955 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -16.632 4.489 19.954 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -18.208 4.178 19.188 1.00 0.00 H new ATOM 91 N TYR A 13 -16.853 0.174 15.854 1.00 0.00 N ATOM 92 CA TYR A 13 -16.609 0.039 14.450 1.00 0.00 C ATOM 93 C TYR A 13 -16.906 1.367 13.791 1.00 0.00 C ATOM 94 O TYR A 13 -18.068 1.771 13.668 1.00 0.00 O ATOM 95 CB TYR A 13 -17.458 -1.081 13.857 1.00 0.00 C ATOM 96 CG TYR A 13 -16.935 -1.597 12.544 1.00 0.00 C ATOM 97 CD1 TYR A 13 -15.864 -2.471 12.530 1.00 0.00 C ATOM 98 CD2 TYR A 13 -17.503 -1.231 11.330 1.00 0.00 C ATOM 99 CE1 TYR A 13 -15.368 -2.972 11.360 1.00 0.00 C ATOM 100 CE2 TYR A 13 -17.005 -1.732 10.139 1.00 0.00 C ATOM 101 CZ TYR A 13 -15.932 -2.606 10.165 1.00 0.00 C ATOM 102 OH TYR A 13 -15.428 -3.128 8.982 1.00 0.00 O ATOM 0 H TYR A 13 -17.791 -0.086 16.158 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.567 -0.230 14.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -17.507 -1.905 14.569 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -18.477 -0.719 13.717 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.409 -2.764 13.465 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -18.341 -0.549 11.315 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.532 -3.656 11.376 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.450 -1.443 9.198 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.937 -2.772 8.224 1.00 0.00 H new ATOM 112 N PHE A 14 -15.865 2.063 13.439 1.00 0.00 N ATOM 113 CA PHE A 14 -15.972 3.385 12.860 1.00 0.00 C ATOM 114 C PHE A 14 -16.490 3.311 11.427 1.00 0.00 C ATOM 115 O PHE A 14 -16.249 2.328 10.718 1.00 0.00 O ATOM 116 CB PHE A 14 -14.611 4.091 12.904 1.00 0.00 C ATOM 117 CG PHE A 14 -14.049 4.243 14.298 1.00 0.00 C ATOM 118 CD1 PHE A 14 -14.383 5.334 15.083 1.00 0.00 C ATOM 119 CD2 PHE A 14 -13.190 3.291 14.823 1.00 0.00 C ATOM 120 CE1 PHE A 14 -13.872 5.471 16.359 1.00 0.00 C ATOM 121 CE2 PHE A 14 -12.678 3.425 16.098 1.00 0.00 C ATOM 122 CZ PHE A 14 -13.019 4.515 16.866 1.00 0.00 C ATOM 0 H PHE A 14 -14.906 1.733 13.544 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.687 3.962 13.447 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.901 3.531 12.295 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.709 5.078 12.452 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -15.051 6.087 14.693 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.917 2.433 14.227 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.141 6.328 16.959 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.010 2.674 16.493 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.619 4.621 17.864 1.00 0.00 H new ATOM 132 N GLN A 15 -17.182 4.334 11.000 1.00 0.00 N ATOM 133 CA GLN A 15 -17.719 4.374 9.690 1.00 0.00 C ATOM 134 C GLN A 15 -16.803 5.127 8.747 1.00 0.00 C ATOM 135 O GLN A 15 -16.909 6.349 8.547 1.00 0.00 O ATOM 136 CB GLN A 15 -19.168 4.880 9.646 1.00 0.00 C ATOM 137 CG GLN A 15 -19.404 6.198 10.343 1.00 0.00 C ATOM 138 CD GLN A 15 -20.799 6.733 10.105 1.00 0.00 C ATOM 139 OE1 GLN A 15 -21.732 6.424 10.848 1.00 0.00 O ATOM 140 NE2 GLN A 15 -20.958 7.549 9.088 1.00 0.00 N ATOM 0 H GLN A 15 -17.383 5.160 11.563 1.00 0.00 H new ATOM 0 HA GLN A 15 -17.771 3.344 9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -19.472 4.978 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -19.814 4.127 10.097 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -19.243 6.074 11.414 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -18.673 6.927 9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.163 7.783 8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.876 7.948 8.893 1.00 0.00 H new ATOM 149 N GLY A 16 -15.839 4.405 8.254 1.00 0.00 N ATOM 150 CA GLY A 16 -14.921 4.918 7.249 1.00 0.00 C ATOM 151 C GLY A 16 -15.593 4.975 5.887 1.00 0.00 C ATOM 152 O GLY A 16 -15.259 4.218 4.981 1.00 0.00 O ATOM 0 H GLY A 16 -15.657 3.440 8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.581 5.914 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.037 4.282 7.198 1.00 0.00 H new ATOM 156 N HIS A 17 -16.563 5.834 5.772 1.00 0.00 N ATOM 157 CA HIS A 17 -17.341 5.993 4.572 1.00 0.00 C ATOM 158 C HIS A 17 -16.765 7.127 3.748 1.00 0.00 C ATOM 159 O HIS A 17 -16.339 8.142 4.299 1.00 0.00 O ATOM 160 CB HIS A 17 -18.808 6.284 4.965 1.00 0.00 C ATOM 161 CG HIS A 17 -19.744 6.573 3.822 1.00 0.00 C ATOM 162 ND1 HIS A 17 -20.150 7.843 3.474 1.00 0.00 N ATOM 163 CD2 HIS A 17 -20.372 5.731 2.968 1.00 0.00 C ATOM 164 CE1 HIS A 17 -20.995 7.740 2.447 1.00 0.00 C ATOM 165 NE2 HIS A 17 -21.165 6.473 2.096 1.00 0.00 N ATOM 0 H HIS A 17 -16.844 6.460 6.527 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.310 5.083 3.972 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.193 5.428 5.519 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.821 7.136 5.645 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -20.274 4.655 2.964 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.477 8.578 1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -21.754 6.116 1.344 1.00 0.00 H new ATOM 173 N MET A 18 -16.732 6.960 2.456 1.00 0.00 N ATOM 174 CA MET A 18 -16.242 7.999 1.606 1.00 0.00 C ATOM 175 C MET A 18 -17.444 8.694 1.007 1.00 0.00 C ATOM 176 O MET A 18 -18.189 8.101 0.233 1.00 0.00 O ATOM 177 CB MET A 18 -15.361 7.429 0.505 1.00 0.00 C ATOM 178 CG MET A 18 -14.363 8.429 -0.029 1.00 0.00 C ATOM 179 SD MET A 18 -13.223 8.982 1.258 1.00 0.00 S ATOM 180 CE MET A 18 -12.155 10.070 0.326 1.00 0.00 C ATOM 0 H MET A 18 -17.038 6.116 1.973 1.00 0.00 H new ATOM 0 HA MET A 18 -15.633 8.699 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 18 -14.827 6.560 0.888 1.00 0.00 H new ATOM 0 HB3 MET A 18 -15.991 7.080 -0.313 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.799 7.980 -0.847 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.893 9.288 -0.441 1.00 0.00 H new ATOM 0 HE1 MET A 18 -11.629 10.736 1.009 1.00 0.00 H new ATOM 0 HE2 MET A 18 -11.431 9.478 -0.233 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.753 10.661 -0.368 1.00 0.00 H new ATOM 190 N ALA A 19 -17.649 9.938 1.367 1.00 0.00 N ATOM 191 CA ALA A 19 -18.825 10.686 0.933 1.00 0.00 C ATOM 192 C ALA A 19 -18.588 11.396 -0.379 1.00 0.00 C ATOM 193 O ALA A 19 -19.404 12.202 -0.824 1.00 0.00 O ATOM 194 CB ALA A 19 -19.293 11.642 2.003 1.00 0.00 C ATOM 0 H ALA A 19 -17.014 10.466 1.966 1.00 0.00 H new ATOM 0 HA ALA A 19 -19.623 9.963 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.170 12.184 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -19.551 11.083 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -18.497 12.351 2.231 1.00 0.00 H new ATOM 200 N ALA A 20 -17.498 11.028 -0.987 1.00 0.00 N ATOM 201 CA ALA A 20 -17.020 11.533 -2.271 1.00 0.00 C ATOM 202 C ALA A 20 -16.793 13.045 -2.282 1.00 0.00 C ATOM 203 O ALA A 20 -17.734 13.822 -2.514 1.00 0.00 O ATOM 204 CB ALA A 20 -17.933 11.113 -3.423 1.00 0.00 C ATOM 0 H ALA A 20 -16.873 10.328 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.045 11.070 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.542 11.509 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -17.973 10.025 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -18.936 11.505 -3.254 1.00 0.00 H new ATOM 210 N PRO A 21 -15.570 13.502 -1.953 1.00 0.00 N ATOM 211 CA PRO A 21 -15.215 14.911 -2.079 1.00 0.00 C ATOM 212 C PRO A 21 -15.372 15.347 -3.533 1.00 0.00 C ATOM 213 O PRO A 21 -16.116 16.294 -3.833 1.00 0.00 O ATOM 214 CB PRO A 21 -13.746 14.963 -1.633 1.00 0.00 C ATOM 215 CG PRO A 21 -13.569 13.743 -0.798 1.00 0.00 C ATOM 216 CD PRO A 21 -14.467 12.703 -1.400 1.00 0.00 C ATOM 0 HA PRO A 21 -15.843 15.576 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.071 14.960 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.535 15.868 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.530 13.413 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.837 13.937 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.958 12.128 -2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.819 11.991 -0.653 1.00 0.00 H new ATOM 224 N ALA A 22 -14.708 14.631 -4.432 1.00 0.00 N ATOM 225 CA ALA A 22 -14.861 14.870 -5.845 1.00 0.00 C ATOM 226 C ALA A 22 -16.208 14.332 -6.279 1.00 0.00 C ATOM 227 O ALA A 22 -16.469 13.127 -6.188 1.00 0.00 O ATOM 228 CB ALA A 22 -13.740 14.210 -6.635 1.00 0.00 C ATOM 0 H ALA A 22 -14.059 13.880 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.808 15.941 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.880 14.406 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.781 14.616 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.755 13.134 -6.459 1.00 0.00 H new ATOM 234 N ARG A 23 -17.058 15.217 -6.702 1.00 0.00 N ATOM 235 CA ARG A 23 -18.402 14.865 -7.096 1.00 0.00 C ATOM 236 C ARG A 23 -18.439 14.615 -8.576 1.00 0.00 C ATOM 237 O ARG A 23 -19.090 13.688 -9.062 1.00 0.00 O ATOM 238 CB ARG A 23 -19.354 15.983 -6.701 1.00 0.00 C ATOM 239 CG ARG A 23 -19.487 16.145 -5.195 1.00 0.00 C ATOM 240 CD ARG A 23 -20.106 17.478 -4.817 1.00 0.00 C ATOM 241 NE ARG A 23 -21.399 17.733 -5.466 1.00 0.00 N ATOM 242 CZ ARG A 23 -21.668 18.822 -6.207 1.00 0.00 C ATOM 243 NH1 ARG A 23 -20.682 19.634 -6.590 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -22.909 19.073 -6.593 1.00 0.00 N ATOM 0 H ARG A 23 -16.845 16.211 -6.787 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.716 13.953 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.003 16.921 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.337 15.784 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.099 15.336 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.503 16.058 -4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.239 17.513 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -19.414 18.278 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.139 17.041 -5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.720 19.430 -6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.890 20.459 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.663 18.440 -6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -23.111 19.900 -7.155 1.00 0.00 H new ATOM 258 N PHE A 24 -17.727 15.419 -9.293 1.00 0.00 N ATOM 259 CA PHE A 24 -17.610 15.258 -10.698 1.00 0.00 C ATOM 260 C PHE A 24 -16.202 15.477 -11.132 1.00 0.00 C ATOM 261 O PHE A 24 -15.332 15.679 -10.318 1.00 0.00 O ATOM 262 CB PHE A 24 -18.612 16.116 -11.507 1.00 0.00 C ATOM 263 CG PHE A 24 -18.812 17.543 -11.083 1.00 0.00 C ATOM 264 CD1 PHE A 24 -18.038 18.551 -11.616 1.00 0.00 C ATOM 265 CD2 PHE A 24 -19.813 17.875 -10.184 1.00 0.00 C ATOM 266 CE1 PHE A 24 -18.248 19.863 -11.256 1.00 0.00 C ATOM 267 CE2 PHE A 24 -20.033 19.183 -9.826 1.00 0.00 C ATOM 268 CZ PHE A 24 -19.248 20.181 -10.362 1.00 0.00 C ATOM 0 H PHE A 24 -17.207 16.211 -8.915 1.00 0.00 H new ATOM 0 HA PHE A 24 -17.883 14.226 -10.921 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -18.288 16.118 -12.548 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -19.581 15.618 -11.476 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -17.259 18.309 -12.323 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.428 17.095 -9.759 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -17.629 20.643 -11.674 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -20.819 19.428 -9.127 1.00 0.00 H new ATOM 0 HZ PHE A 24 -19.416 21.210 -10.082 1.00 0.00 H new ATOM 278 N CYS A 25 -15.971 15.366 -12.381 1.00 0.00 N ATOM 279 CA CYS A 25 -14.681 15.585 -12.932 1.00 0.00 C ATOM 280 C CYS A 25 -14.872 16.437 -14.153 1.00 0.00 C ATOM 281 O CYS A 25 -15.905 16.336 -14.835 1.00 0.00 O ATOM 282 CB CYS A 25 -14.066 14.254 -13.320 1.00 0.00 C ATOM 283 SG CYS A 25 -12.318 14.326 -13.798 1.00 0.00 S ATOM 0 H CYS A 25 -16.682 15.116 -13.068 1.00 0.00 H new ATOM 0 HA CYS A 25 -14.019 16.073 -12.217 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.170 13.565 -12.482 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.637 13.835 -14.149 1.00 0.00 H new ATOM 288 N VAL A 26 -13.928 17.264 -14.412 1.00 0.00 N ATOM 289 CA VAL A 26 -13.991 18.186 -15.505 1.00 0.00 C ATOM 290 C VAL A 26 -12.902 17.833 -16.501 1.00 0.00 C ATOM 291 O VAL A 26 -11.734 17.739 -16.142 1.00 0.00 O ATOM 292 CB VAL A 26 -13.797 19.639 -15.005 1.00 0.00 C ATOM 293 CG1 VAL A 26 -14.055 20.627 -16.111 1.00 0.00 C ATOM 294 CG2 VAL A 26 -14.687 19.936 -13.806 1.00 0.00 C ATOM 0 H VAL A 26 -13.069 17.327 -13.865 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.970 18.118 -15.980 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.759 19.741 -14.687 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.912 21.640 -15.735 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.361 20.444 -16.932 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.078 20.514 -16.469 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.527 20.964 -13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.732 19.803 -14.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.440 19.254 -12.992 1.00 0.00 H new ATOM 304 N TYR A 27 -13.298 17.605 -17.719 1.00 0.00 N ATOM 305 CA TYR A 27 -12.395 17.217 -18.775 1.00 0.00 C ATOM 306 C TYR A 27 -12.043 18.394 -19.636 1.00 0.00 C ATOM 307 O TYR A 27 -12.895 19.258 -19.923 1.00 0.00 O ATOM 308 CB TYR A 27 -13.002 16.101 -19.633 1.00 0.00 C ATOM 309 CG TYR A 27 -13.148 14.774 -18.913 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.103 14.590 -17.920 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.331 13.701 -19.234 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.232 13.383 -17.269 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.457 12.489 -18.586 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.411 12.337 -17.605 1.00 0.00 C ATOM 315 OH TYR A 27 -13.546 11.130 -16.956 1.00 0.00 O ATOM 0 H TYR A 27 -14.271 17.683 -18.016 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.484 16.840 -18.310 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -13.983 16.421 -19.985 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.379 15.956 -20.515 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.756 15.408 -17.654 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.583 13.816 -20.005 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.977 13.261 -16.497 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.811 11.664 -18.847 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.605 10.408 -17.616 1.00 0.00 H new ATOM 325 N TYR A 28 -10.804 18.438 -20.033 1.00 0.00 N ATOM 326 CA TYR A 28 -10.283 19.481 -20.870 1.00 0.00 C ATOM 327 C TYR A 28 -9.492 18.873 -22.021 1.00 0.00 C ATOM 328 O TYR A 28 -8.929 17.772 -21.898 1.00 0.00 O ATOM 329 CB TYR A 28 -9.343 20.420 -20.087 1.00 0.00 C ATOM 330 CG TYR A 28 -9.947 21.219 -18.943 1.00 0.00 C ATOM 331 CD1 TYR A 28 -10.144 20.647 -17.692 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.276 22.557 -19.106 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.654 21.384 -16.643 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.792 23.302 -18.060 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.979 22.709 -16.831 1.00 0.00 C ATOM 336 OH TYR A 28 -11.481 23.451 -15.770 1.00 0.00 O ATOM 0 H TYR A 28 -10.112 17.734 -19.778 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.132 20.054 -21.242 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.526 19.820 -19.685 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.904 21.124 -20.794 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.894 19.608 -17.538 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.127 23.026 -20.067 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.798 20.923 -15.677 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.046 24.341 -18.206 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.659 24.368 -16.067 1.00 0.00 H new ATOM 346 N ASP A 29 -9.486 19.575 -23.126 1.00 0.00 N ATOM 347 CA ASP A 29 -8.671 19.248 -24.287 1.00 0.00 C ATOM 348 C ASP A 29 -7.331 19.867 -24.031 1.00 0.00 C ATOM 349 O ASP A 29 -7.186 21.086 -24.112 1.00 0.00 O ATOM 350 CB ASP A 29 -9.276 19.875 -25.568 1.00 0.00 C ATOM 351 CG ASP A 29 -8.479 19.620 -26.859 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.318 20.099 -26.999 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.025 19.002 -27.799 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.058 20.410 -23.254 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.613 18.169 -24.433 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.286 19.488 -25.701 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.364 20.951 -25.420 1.00 0.00 H new ATOM 358 N GLY A 30 -6.403 19.073 -23.637 1.00 0.00 N ATOM 359 CA GLY A 30 -5.104 19.561 -23.341 1.00 0.00 C ATOM 360 C GLY A 30 -4.727 19.255 -21.940 1.00 0.00 C ATOM 361 O GLY A 30 -5.468 19.529 -21.005 1.00 0.00 O ATOM 0 H GLY A 30 -6.521 18.068 -23.510 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.380 19.114 -24.022 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.071 20.638 -23.503 1.00 0.00 H new ATOM 365 N HIS A 31 -3.556 18.755 -21.804 1.00 0.00 N ATOM 366 CA HIS A 31 -3.016 18.285 -20.525 1.00 0.00 C ATOM 367 C HIS A 31 -2.148 19.354 -19.890 1.00 0.00 C ATOM 368 O HIS A 31 -1.411 19.104 -18.935 1.00 0.00 O ATOM 369 CB HIS A 31 -2.193 16.995 -20.749 1.00 0.00 C ATOM 370 CG HIS A 31 -1.005 17.156 -21.683 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.308 17.045 -21.290 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.972 17.413 -23.014 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.077 17.229 -22.361 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.343 17.459 -23.443 1.00 0.00 N ATOM 0 H HIS A 31 -2.907 18.646 -22.583 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.845 18.069 -19.851 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.834 16.637 -19.784 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.852 16.225 -21.150 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.838 17.559 -23.642 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.156 17.196 -22.351 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.678 17.633 -24.391 1.00 0.00 H new ATOM 382 N LEU A 32 -2.281 20.537 -20.385 1.00 0.00 N ATOM 383 CA LEU A 32 -1.464 21.625 -19.977 1.00 0.00 C ATOM 384 C LEU A 32 -2.375 22.808 -19.733 1.00 0.00 C ATOM 385 O LEU A 32 -3.155 23.147 -20.611 1.00 0.00 O ATOM 386 CB LEU A 32 -0.486 21.944 -21.109 1.00 0.00 C ATOM 387 CG LEU A 32 0.608 22.937 -20.785 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.621 22.320 -19.832 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.281 23.430 -22.045 1.00 0.00 C ATOM 0 H LEU A 32 -2.972 20.778 -21.096 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.902 21.391 -19.073 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.020 21.013 -21.431 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.055 22.326 -21.957 1.00 0.00 H new ATOM 0 HG LEU A 32 0.155 23.797 -20.292 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.401 23.048 -19.609 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.121 22.030 -18.908 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.067 21.440 -20.295 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.064 24.143 -21.785 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.721 22.586 -22.577 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.545 23.917 -22.684 1.00 0.00 H new ATOM 401 N PRO A 33 -2.296 23.456 -18.552 1.00 0.00 N ATOM 402 CA PRO A 33 -3.173 24.583 -18.188 1.00 0.00 C ATOM 403 C PRO A 33 -3.131 25.747 -19.184 1.00 0.00 C ATOM 404 O PRO A 33 -4.094 26.499 -19.309 1.00 0.00 O ATOM 405 CB PRO A 33 -2.688 25.027 -16.799 1.00 0.00 C ATOM 406 CG PRO A 33 -1.397 24.322 -16.567 1.00 0.00 C ATOM 407 CD PRO A 33 -1.373 23.117 -17.458 1.00 0.00 C ATOM 0 HA PRO A 33 -4.216 24.267 -18.196 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.554 26.108 -16.760 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.417 24.768 -16.031 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.556 24.979 -16.789 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.304 24.027 -15.522 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.369 22.919 -17.832 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.698 22.223 -16.926 1.00 0.00 H new ATOM 415 N ALA A 34 -2.040 25.869 -19.908 1.00 0.00 N ATOM 416 CA ALA A 34 -1.896 26.918 -20.902 1.00 0.00 C ATOM 417 C ALA A 34 -2.649 26.585 -22.200 1.00 0.00 C ATOM 418 O ALA A 34 -2.996 27.474 -22.966 1.00 0.00 O ATOM 419 CB ALA A 34 -0.424 27.147 -21.202 1.00 0.00 C ATOM 0 H ALA A 34 -1.232 25.251 -19.828 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.334 27.827 -20.490 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.323 27.935 -21.948 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.092 27.444 -20.289 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.017 26.226 -21.585 1.00 0.00 H new ATOM 425 N THR A 35 -2.930 25.320 -22.416 1.00 0.00 N ATOM 426 CA THR A 35 -3.489 24.874 -23.686 1.00 0.00 C ATOM 427 C THR A 35 -4.714 23.938 -23.445 1.00 0.00 C ATOM 428 O THR A 35 -5.064 23.108 -24.287 1.00 0.00 O ATOM 429 CB THR A 35 -2.368 24.114 -24.454 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.133 24.848 -24.303 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.674 24.015 -25.947 1.00 0.00 C ATOM 0 H THR A 35 -2.783 24.577 -21.733 1.00 0.00 H new ATOM 0 HA THR A 35 -3.837 25.728 -24.267 1.00 0.00 H new ATOM 0 HB THR A 35 -2.297 23.107 -24.043 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.415 24.382 -24.780 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.869 23.478 -26.449 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.612 23.479 -26.091 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.760 25.017 -26.368 1.00 0.00 H new ATOM 439 N ARG A 36 -5.365 24.097 -22.302 1.00 0.00 N ATOM 440 CA ARG A 36 -6.488 23.257 -21.948 1.00 0.00 C ATOM 441 C ARG A 36 -7.839 23.944 -22.284 1.00 0.00 C ATOM 442 O ARG A 36 -8.145 25.037 -21.794 1.00 0.00 O ATOM 443 CB ARG A 36 -6.414 22.863 -20.455 1.00 0.00 C ATOM 444 CG ARG A 36 -6.560 24.028 -19.487 1.00 0.00 C ATOM 445 CD ARG A 36 -6.650 23.594 -18.031 1.00 0.00 C ATOM 446 NE ARG A 36 -6.776 24.777 -17.175 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.142 24.802 -15.887 1.00 0.00 C ATOM 448 NH1 ARG A 36 -7.385 23.688 -15.217 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.274 25.969 -15.271 1.00 0.00 N ATOM 0 H ARG A 36 -5.130 24.804 -21.605 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.434 22.347 -22.546 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.196 22.133 -20.246 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.460 22.370 -20.269 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.710 24.699 -19.607 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.454 24.596 -19.745 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.507 22.936 -17.889 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.762 23.025 -17.755 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.562 25.676 -17.606 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.295 22.784 -15.681 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.662 23.733 -14.236 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.097 26.836 -15.778 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.552 25.999 -14.290 1.00 0.00 H new ATOM 463 N VAL A 37 -8.607 23.323 -23.139 1.00 0.00 N ATOM 464 CA VAL A 37 -9.933 23.823 -23.510 1.00 0.00 C ATOM 465 C VAL A 37 -10.991 23.043 -22.733 1.00 0.00 C ATOM 466 O VAL A 37 -10.909 21.838 -22.644 1.00 0.00 O ATOM 467 CB VAL A 37 -10.187 23.659 -25.042 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.569 24.150 -25.439 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.111 24.375 -25.854 1.00 0.00 C ATOM 0 H VAL A 37 -8.344 22.455 -23.606 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.988 24.884 -23.267 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.137 22.593 -25.265 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.707 24.019 -26.512 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.326 23.578 -24.903 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.666 25.206 -25.187 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.311 24.245 -26.918 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.118 25.437 -25.610 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.134 23.954 -25.615 1.00 0.00 H new ATOM 479 N LEU A 38 -11.961 23.729 -22.170 1.00 0.00 N ATOM 480 CA LEU A 38 -13.013 23.090 -21.371 1.00 0.00 C ATOM 481 C LEU A 38 -13.878 22.193 -22.275 1.00 0.00 C ATOM 482 O LEU A 38 -14.391 22.656 -23.301 1.00 0.00 O ATOM 483 CB LEU A 38 -13.857 24.208 -20.662 1.00 0.00 C ATOM 484 CG LEU A 38 -15.024 23.814 -19.707 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.257 23.302 -20.444 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.562 22.795 -18.696 1.00 0.00 C ATOM 0 H LEU A 38 -12.053 24.742 -22.246 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.580 22.451 -20.601 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.164 24.824 -20.090 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.277 24.842 -21.443 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.321 24.729 -19.194 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.032 23.045 -19.722 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.628 24.077 -21.114 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.993 22.417 -21.023 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.391 22.533 -18.039 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.213 21.901 -19.213 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.748 23.213 -18.104 1.00 0.00 H new ATOM 498 N LEU A 39 -14.017 20.918 -21.907 1.00 0.00 N ATOM 499 CA LEU A 39 -14.822 20.004 -22.692 1.00 0.00 C ATOM 500 C LEU A 39 -16.132 19.637 -22.013 1.00 0.00 C ATOM 501 O LEU A 39 -17.195 19.968 -22.526 1.00 0.00 O ATOM 502 CB LEU A 39 -14.055 18.729 -23.044 1.00 0.00 C ATOM 503 CG LEU A 39 -12.843 18.888 -23.952 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.213 17.535 -24.222 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.230 19.563 -25.260 1.00 0.00 C ATOM 0 H LEU A 39 -13.585 20.506 -21.080 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.059 20.542 -23.610 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.725 18.263 -22.115 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.748 18.036 -23.520 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.115 19.522 -23.446 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.347 17.660 -24.872 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.898 17.086 -23.280 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.941 16.885 -24.708 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.348 19.665 -25.892 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.976 18.958 -25.775 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.644 20.550 -25.052 1.00 0.00 H new ATOM 517 N MET A 40 -16.073 18.982 -20.846 1.00 0.00 N ATOM 518 CA MET A 40 -17.297 18.497 -20.190 1.00 0.00 C ATOM 519 C MET A 40 -17.104 18.162 -18.756 1.00 0.00 C ATOM 520 O MET A 40 -15.979 18.060 -18.258 1.00 0.00 O ATOM 521 CB MET A 40 -17.906 17.274 -20.901 1.00 0.00 C ATOM 522 CG MET A 40 -19.125 17.605 -21.733 1.00 0.00 C ATOM 523 SD MET A 40 -19.775 16.215 -22.689 1.00 0.00 S ATOM 524 CE MET A 40 -20.372 15.137 -21.383 1.00 0.00 C ATOM 0 H MET A 40 -15.209 18.778 -20.344 1.00 0.00 H new ATOM 0 HA MET A 40 -17.987 19.338 -20.261 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.149 16.823 -21.543 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.177 16.527 -20.155 1.00 0.00 H new ATOM 0 HG2 MET A 40 -19.910 17.976 -21.074 1.00 0.00 H new ATOM 0 HG3 MET A 40 -18.874 18.415 -22.417 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.801 14.237 -21.822 1.00 0.00 H new ATOM 0 HE2 MET A 40 -19.543 14.863 -20.730 1.00 0.00 H new ATOM 0 HE3 MET A 40 -21.134 15.656 -20.803 1.00 0.00 H new ATOM 534 N TYR A 41 -18.216 17.989 -18.115 1.00 0.00 N ATOM 535 CA TYR A 41 -18.309 17.622 -16.717 1.00 0.00 C ATOM 536 C TYR A 41 -18.907 16.230 -16.616 1.00 0.00 C ATOM 537 O TYR A 41 -19.946 15.967 -17.208 1.00 0.00 O ATOM 538 CB TYR A 41 -19.224 18.607 -15.983 1.00 0.00 C ATOM 539 CG TYR A 41 -18.694 20.021 -15.868 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.652 20.870 -16.964 1.00 0.00 C ATOM 541 CD2 TYR A 41 -18.237 20.502 -14.659 1.00 0.00 C ATOM 542 CE1 TYR A 41 -18.172 22.151 -16.852 1.00 0.00 C ATOM 543 CE2 TYR A 41 -17.758 21.782 -14.537 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.728 22.600 -15.635 1.00 0.00 C ATOM 545 OH TYR A 41 -17.250 23.875 -15.516 1.00 0.00 O ATOM 0 H TYR A 41 -19.127 18.102 -18.559 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.316 17.644 -16.268 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.184 18.637 -16.497 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.412 18.224 -14.980 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.003 20.517 -17.922 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -18.257 19.859 -13.792 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.144 22.800 -17.715 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -17.407 22.142 -13.581 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.977 24.037 -14.589 1.00 0.00 H new ATOM 555 N VAL A 42 -18.264 15.342 -15.899 1.00 0.00 N ATOM 556 CA VAL A 42 -18.765 13.978 -15.756 1.00 0.00 C ATOM 557 C VAL A 42 -18.856 13.626 -14.287 1.00 0.00 C ATOM 558 O VAL A 42 -17.885 13.788 -13.554 1.00 0.00 O ATOM 559 CB VAL A 42 -17.846 12.943 -16.471 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.417 11.528 -16.370 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.620 13.327 -17.926 1.00 0.00 C ATOM 0 H VAL A 42 -17.393 15.529 -15.402 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.749 13.936 -16.223 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.883 12.953 -15.961 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.752 10.830 -16.879 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.506 11.245 -15.321 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.401 11.498 -16.838 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.975 12.588 -18.401 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.577 13.362 -18.446 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.145 14.307 -17.974 1.00 0.00 H new ATOM 571 N ARG A 43 -20.016 13.164 -13.864 1.00 0.00 N ATOM 572 CA ARG A 43 -20.261 12.789 -12.494 1.00 0.00 C ATOM 573 C ARG A 43 -19.482 11.515 -12.158 1.00 0.00 C ATOM 574 O ARG A 43 -19.465 10.547 -12.951 1.00 0.00 O ATOM 575 CB ARG A 43 -21.766 12.552 -12.284 1.00 0.00 C ATOM 576 CG ARG A 43 -22.164 12.275 -10.849 1.00 0.00 C ATOM 577 CD ARG A 43 -22.024 13.518 -9.995 1.00 0.00 C ATOM 578 NE ARG A 43 -22.203 13.222 -8.580 1.00 0.00 N ATOM 579 CZ ARG A 43 -22.719 14.042 -7.669 1.00 0.00 C ATOM 580 NH1 ARG A 43 -23.260 15.196 -8.032 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -22.713 13.685 -6.389 1.00 0.00 N ATOM 0 H ARG A 43 -20.823 13.038 -14.474 1.00 0.00 H new ATOM 0 HA ARG A 43 -19.929 13.593 -11.836 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.311 13.427 -12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.078 11.711 -12.903 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.195 11.921 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.541 11.479 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.040 13.959 -10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.759 14.259 -10.308 1.00 0.00 H new ATOM 0 HE ARG A 43 -21.905 12.301 -8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -23.283 15.461 -9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -23.654 15.819 -7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -22.315 12.788 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -23.107 14.308 -5.684 1.00 0.00 H new ATOM 595 N ILE A 44 -18.844 11.521 -11.017 1.00 0.00 N ATOM 596 CA ILE A 44 -18.079 10.374 -10.546 1.00 0.00 C ATOM 597 C ILE A 44 -18.996 9.182 -10.347 1.00 0.00 C ATOM 598 O ILE A 44 -19.953 9.222 -9.556 1.00 0.00 O ATOM 599 CB ILE A 44 -17.297 10.683 -9.234 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.277 11.806 -9.473 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.606 9.431 -8.678 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.169 11.479 -10.459 1.00 0.00 C ATOM 0 H ILE A 44 -18.834 12.318 -10.380 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.340 10.139 -11.311 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.018 11.016 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.809 12.688 -9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.824 12.072 -8.518 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.071 9.687 -7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.354 8.669 -8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.901 9.047 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.504 12.337 -10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.603 10.620 -10.099 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.604 11.245 -11.431 1.00 0.00 H new ATOM 614 N GLY A 45 -18.731 8.167 -11.104 1.00 0.00 N ATOM 615 CA GLY A 45 -19.494 6.964 -11.050 1.00 0.00 C ATOM 616 C GLY A 45 -20.237 6.708 -12.334 1.00 0.00 C ATOM 617 O GLY A 45 -20.564 5.563 -12.649 1.00 0.00 O ATOM 0 H GLY A 45 -17.971 8.150 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.832 6.124 -10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.205 7.022 -10.226 1.00 0.00 H new ATOM 621 N THR A 46 -20.465 7.753 -13.105 1.00 0.00 N ATOM 622 CA THR A 46 -21.275 7.642 -14.297 1.00 0.00 C ATOM 623 C THR A 46 -20.451 7.691 -15.562 1.00 0.00 C ATOM 624 O THR A 46 -19.241 8.007 -15.544 1.00 0.00 O ATOM 625 CB THR A 46 -22.350 8.760 -14.349 1.00 0.00 C ATOM 626 OG1 THR A 46 -21.725 10.058 -14.329 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.305 8.648 -13.175 1.00 0.00 C ATOM 0 H THR A 46 -20.100 8.688 -12.925 1.00 0.00 H new ATOM 0 HA THR A 46 -21.760 6.668 -14.243 1.00 0.00 H new ATOM 0 HB THR A 46 -22.911 8.640 -15.276 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.072 10.095 -13.599 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.049 9.443 -13.234 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.805 7.680 -13.204 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.748 8.741 -12.243 1.00 0.00 H new ATOM 635 N THR A 47 -21.106 7.376 -16.634 1.00 0.00 N ATOM 636 CA THR A 47 -20.547 7.466 -17.942 1.00 0.00 C ATOM 637 C THR A 47 -21.014 8.746 -18.585 1.00 0.00 C ATOM 638 O THR A 47 -22.044 9.309 -18.195 1.00 0.00 O ATOM 639 CB THR A 47 -21.003 6.302 -18.842 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.438 6.155 -18.769 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.343 4.992 -18.473 1.00 0.00 C ATOM 0 H THR A 47 -22.069 7.041 -16.622 1.00 0.00 H new ATOM 0 HA THR A 47 -19.462 7.433 -17.841 1.00 0.00 H new ATOM 0 HB THR A 47 -20.700 6.548 -19.860 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.721 5.414 -19.345 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.699 4.205 -19.138 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.262 5.089 -18.572 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.592 4.737 -17.443 1.00 0.00 H new ATOM 649 N ALA A 48 -20.273 9.203 -19.527 1.00 0.00 N ATOM 650 CA ALA A 48 -20.645 10.374 -20.302 1.00 0.00 C ATOM 651 C ALA A 48 -19.994 10.323 -21.652 1.00 0.00 C ATOM 652 O ALA A 48 -18.902 9.781 -21.799 1.00 0.00 O ATOM 653 CB ALA A 48 -20.259 11.652 -19.587 1.00 0.00 C ATOM 0 H ALA A 48 -19.382 8.787 -19.799 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.728 10.370 -20.423 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.551 12.510 -20.193 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.767 11.698 -18.624 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.181 11.669 -19.429 1.00 0.00 H new ATOM 659 N THR A 49 -20.660 10.841 -22.636 1.00 0.00 N ATOM 660 CA THR A 49 -20.117 10.869 -23.956 1.00 0.00 C ATOM 661 C THR A 49 -19.598 12.266 -24.280 1.00 0.00 C ATOM 662 O THR A 49 -20.369 13.216 -24.424 1.00 0.00 O ATOM 663 CB THR A 49 -21.170 10.434 -24.980 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.760 9.208 -24.520 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.527 10.197 -26.348 1.00 0.00 C ATOM 0 H THR A 49 -21.589 11.253 -22.548 1.00 0.00 H new ATOM 0 HA THR A 49 -19.284 10.168 -24.006 1.00 0.00 H new ATOM 0 HB THR A 49 -21.922 11.216 -25.082 1.00 0.00 H new ATOM 0 HG1 THR A 49 -22.440 8.911 -25.161 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.292 9.889 -27.061 1.00 0.00 H new ATOM 0 HG22 THR A 49 -20.058 11.118 -26.694 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.772 9.415 -26.265 1.00 0.00 H new ATOM 673 N ILE A 50 -18.309 12.372 -24.395 1.00 0.00 N ATOM 674 CA ILE A 50 -17.644 13.612 -24.709 1.00 0.00 C ATOM 675 C ILE A 50 -17.479 13.602 -26.210 1.00 0.00 C ATOM 676 O ILE A 50 -17.366 12.541 -26.809 1.00 0.00 O ATOM 677 CB ILE A 50 -16.199 13.649 -24.106 1.00 0.00 C ATOM 678 CG1 ILE A 50 -16.143 13.087 -22.665 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.617 15.069 -24.152 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.945 13.855 -21.642 1.00 0.00 C ATOM 0 H ILE A 50 -17.672 11.585 -24.272 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.214 14.455 -24.318 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.586 12.999 -24.730 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.497 12.056 -22.681 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.102 13.062 -22.342 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.613 15.065 -23.727 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.572 15.410 -25.186 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -16.252 15.741 -23.576 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.840 13.381 -20.666 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.580 14.881 -21.588 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.996 13.859 -21.932 1.00 0.00 H new ATOM 692 N THR A 51 -17.540 14.713 -26.814 1.00 0.00 N ATOM 693 CA THR A 51 -17.313 14.788 -28.222 1.00 0.00 C ATOM 694 C THR A 51 -16.337 15.921 -28.462 1.00 0.00 C ATOM 695 O THR A 51 -16.676 17.090 -28.267 1.00 0.00 O ATOM 696 CB THR A 51 -18.643 15.021 -28.974 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.609 14.060 -28.490 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.460 14.810 -30.471 1.00 0.00 C ATOM 0 H THR A 51 -17.747 15.605 -26.364 1.00 0.00 H new ATOM 0 HA THR A 51 -16.899 13.853 -28.599 1.00 0.00 H new ATOM 0 HB THR A 51 -18.978 16.044 -28.801 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.462 14.192 -28.954 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.408 14.979 -30.981 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.715 15.510 -30.849 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.125 13.789 -30.656 1.00 0.00 H new ATOM 706 N ALA A 52 -15.119 15.572 -28.802 1.00 0.00 N ATOM 707 CA ALA A 52 -14.084 16.552 -29.005 1.00 0.00 C ATOM 708 C ALA A 52 -13.330 16.226 -30.259 1.00 0.00 C ATOM 709 O ALA A 52 -12.969 15.069 -30.484 1.00 0.00 O ATOM 710 CB ALA A 52 -13.139 16.585 -27.812 1.00 0.00 C ATOM 0 H ALA A 52 -14.821 14.607 -28.944 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.539 17.537 -29.104 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.363 17.331 -27.983 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.698 16.842 -26.912 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.678 15.605 -27.685 1.00 0.00 H new ATOM 716 N ARG A 53 -13.132 17.242 -31.092 1.00 0.00 N ATOM 717 CA ARG A 53 -12.418 17.144 -32.383 1.00 0.00 C ATOM 718 C ARG A 53 -13.127 16.171 -33.311 1.00 0.00 C ATOM 719 O ARG A 53 -12.524 15.575 -34.202 1.00 0.00 O ATOM 720 CB ARG A 53 -10.964 16.714 -32.207 1.00 0.00 C ATOM 721 CG ARG A 53 -10.194 17.536 -31.210 1.00 0.00 C ATOM 722 CD ARG A 53 -8.715 17.239 -31.276 1.00 0.00 C ATOM 723 NE ARG A 53 -8.396 15.805 -31.179 1.00 0.00 N ATOM 724 CZ ARG A 53 -7.164 15.316 -30.956 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.150 16.141 -30.692 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.952 14.006 -30.985 1.00 0.00 N ATOM 0 H ARG A 53 -13.468 18.185 -30.893 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.422 18.141 -32.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.941 15.670 -31.895 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.461 16.770 -33.172 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.363 18.596 -31.402 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.563 17.331 -30.205 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.316 17.629 -32.213 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.210 17.770 -30.469 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.160 15.139 -31.288 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.307 17.148 -30.659 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.217 15.765 -30.523 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.725 13.368 -31.177 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.016 13.637 -30.816 1.00 0.00 H new ATOM 740 N GLY A 54 -14.403 16.036 -33.098 1.00 0.00 N ATOM 741 CA GLY A 54 -15.215 15.153 -33.882 1.00 0.00 C ATOM 742 C GLY A 54 -15.205 13.728 -33.361 1.00 0.00 C ATOM 743 O GLY A 54 -15.883 12.863 -33.911 1.00 0.00 O ATOM 0 H GLY A 54 -14.912 16.538 -32.371 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.240 15.524 -33.894 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.861 15.161 -34.913 1.00 0.00 H new ATOM 747 N HIS A 55 -14.460 13.471 -32.306 1.00 0.00 N ATOM 748 CA HIS A 55 -14.374 12.130 -31.777 1.00 0.00 C ATOM 749 C HIS A 55 -15.296 11.996 -30.587 1.00 0.00 C ATOM 750 O HIS A 55 -15.333 12.873 -29.715 1.00 0.00 O ATOM 751 CB HIS A 55 -12.958 11.785 -31.300 1.00 0.00 C ATOM 752 CG HIS A 55 -11.830 12.085 -32.242 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.546 11.376 -33.382 1.00 0.00 N ATOM 754 CD2 HIS A 55 -10.892 13.055 -32.163 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.467 11.929 -33.948 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.030 12.957 -33.241 1.00 0.00 N ATOM 0 H HIS A 55 -13.910 14.168 -31.803 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.654 11.452 -32.584 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.774 12.322 -30.369 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.929 10.721 -31.065 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.825 13.794 -31.378 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.012 11.581 -34.864 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.227 13.552 -33.447 1.00 0.00 H new ATOM 764 N GLU A 56 -16.033 10.930 -30.553 1.00 0.00 N ATOM 765 CA GLU A 56 -16.878 10.613 -29.436 1.00 0.00 C ATOM 766 C GLU A 56 -16.091 9.775 -28.455 1.00 0.00 C ATOM 767 O GLU A 56 -15.567 8.721 -28.811 1.00 0.00 O ATOM 768 CB GLU A 56 -18.095 9.822 -29.884 1.00 0.00 C ATOM 769 CG GLU A 56 -19.083 10.594 -30.721 1.00 0.00 C ATOM 770 CD GLU A 56 -20.197 9.703 -31.212 1.00 0.00 C ATOM 771 OE1 GLU A 56 -21.048 9.295 -30.393 1.00 0.00 O ATOM 772 OE2 GLU A 56 -20.245 9.393 -32.418 1.00 0.00 O1- ATOM 0 H GLU A 56 -16.068 10.245 -31.308 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.213 11.542 -28.975 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.757 8.956 -30.453 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.608 9.442 -29.001 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.500 11.412 -30.134 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.570 11.042 -31.572 1.00 0.00 H new ATOM 779 N PHE A 57 -15.970 10.246 -27.261 1.00 0.00 N ATOM 780 CA PHE A 57 -15.309 9.528 -26.234 1.00 0.00 C ATOM 781 C PHE A 57 -16.309 9.237 -25.160 1.00 0.00 C ATOM 782 O PHE A 57 -16.715 10.141 -24.436 1.00 0.00 O ATOM 783 CB PHE A 57 -14.182 10.370 -25.628 1.00 0.00 C ATOM 784 CG PHE A 57 -13.157 10.846 -26.606 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.149 10.006 -27.038 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.204 12.141 -27.092 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.209 10.447 -27.941 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.269 12.587 -27.988 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.271 11.739 -28.415 1.00 0.00 C ATOM 0 H PHE A 57 -16.334 11.154 -26.970 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.885 8.613 -26.647 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.621 11.236 -25.133 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.683 9.782 -24.858 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.098 8.994 -26.664 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.987 12.807 -26.761 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.426 9.783 -28.277 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.314 13.600 -28.359 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.535 12.088 -29.124 1.00 0.00 H new ATOM 799 N GLU A 58 -16.756 8.027 -25.070 1.00 0.00 N ATOM 800 CA GLU A 58 -17.642 7.699 -24.002 1.00 0.00 C ATOM 801 C GLU A 58 -16.800 7.228 -22.841 1.00 0.00 C ATOM 802 O GLU A 58 -16.206 6.142 -22.871 1.00 0.00 O ATOM 803 CB GLU A 58 -18.690 6.680 -24.431 1.00 0.00 C ATOM 804 CG GLU A 58 -19.697 6.363 -23.367 1.00 0.00 C ATOM 805 CD GLU A 58 -20.757 5.413 -23.841 1.00 0.00 C ATOM 806 OE1 GLU A 58 -20.436 4.260 -24.169 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.935 5.804 -23.917 1.00 0.00 O ATOM 0 H GLU A 58 -16.529 7.264 -25.708 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.215 8.575 -23.697 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.211 7.057 -25.311 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.188 5.760 -24.729 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.187 5.932 -22.506 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.167 7.287 -23.030 1.00 0.00 H new ATOM 814 N VAL A 59 -16.729 8.064 -21.852 1.00 0.00 N ATOM 815 CA VAL A 59 -15.873 7.881 -20.727 1.00 0.00 C ATOM 816 C VAL A 59 -16.678 7.449 -19.535 1.00 0.00 C ATOM 817 O VAL A 59 -17.858 7.799 -19.411 1.00 0.00 O ATOM 818 CB VAL A 59 -15.109 9.209 -20.373 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.239 9.680 -21.529 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.066 10.327 -19.952 1.00 0.00 C ATOM 0 H VAL A 59 -17.284 8.919 -21.807 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.144 7.113 -20.984 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.465 8.976 -19.525 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.727 10.600 -21.247 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.502 8.912 -21.766 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.864 9.865 -22.403 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.495 11.225 -19.717 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.758 10.540 -20.767 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.628 10.013 -19.072 1.00 0.00 H new ATOM 830 N GLU A 60 -16.086 6.665 -18.704 1.00 0.00 N ATOM 831 CA GLU A 60 -16.693 6.321 -17.464 1.00 0.00 C ATOM 832 C GLU A 60 -15.807 6.832 -16.367 1.00 0.00 C ATOM 833 O GLU A 60 -14.634 6.425 -16.253 1.00 0.00 O ATOM 834 CB GLU A 60 -16.906 4.815 -17.309 1.00 0.00 C ATOM 835 CG GLU A 60 -17.782 4.473 -16.105 1.00 0.00 C ATOM 836 CD GLU A 60 -18.027 3.004 -15.938 1.00 0.00 C ATOM 837 OE1 GLU A 60 -18.350 2.319 -16.920 1.00 0.00 O ATOM 838 OE2 GLU A 60 -17.932 2.504 -14.802 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.170 6.245 -18.862 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.683 6.775 -17.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.367 4.421 -18.214 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.939 4.323 -17.203 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.310 4.859 -15.202 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.740 4.983 -16.207 1.00 0.00 H new ATOM 845 N ALA A 61 -16.319 7.752 -15.603 1.00 0.00 N ATOM 846 CA ALA A 61 -15.570 8.274 -14.481 1.00 0.00 C ATOM 847 C ALA A 61 -15.657 7.279 -13.339 1.00 0.00 C ATOM 848 O ALA A 61 -16.633 7.262 -12.598 1.00 0.00 O ATOM 849 CB ALA A 61 -16.088 9.646 -14.061 1.00 0.00 C ATOM 0 H ALA A 61 -17.246 8.159 -15.729 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.527 8.408 -14.769 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.505 10.012 -13.216 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.994 10.341 -14.895 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.136 9.566 -13.772 1.00 0.00 H new ATOM 855 N LYS A 62 -14.668 6.415 -13.243 1.00 0.00 N ATOM 856 CA LYS A 62 -14.682 5.331 -12.266 1.00 0.00 C ATOM 857 C LYS A 62 -14.471 5.826 -10.853 1.00 0.00 C ATOM 858 O LYS A 62 -15.325 5.646 -9.979 1.00 0.00 O ATOM 859 CB LYS A 62 -13.568 4.333 -12.576 1.00 0.00 C ATOM 860 CG LYS A 62 -13.666 3.622 -13.883 1.00 0.00 C ATOM 861 CD LYS A 62 -14.785 2.623 -13.884 1.00 0.00 C ATOM 862 CE LYS A 62 -14.762 1.814 -15.149 1.00 0.00 C ATOM 863 NZ LYS A 62 -15.812 0.783 -15.153 1.00 0.00 N1+ ATOM 0 H LYS A 62 -13.835 6.438 -13.832 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.665 4.865 -12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.616 4.862 -12.544 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.545 3.587 -11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.824 4.347 -14.682 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.724 3.115 -14.094 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.693 1.963 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.741 3.138 -13.791 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.896 2.474 -16.006 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.786 1.341 -15.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.949 0.430 -16.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.528 -0.004 -14.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.702 1.193 -14.805 1.00 0.00 H new ATOM 877 N ASP A 63 -13.366 6.480 -10.641 1.00 0.00 N ATOM 878 CA ASP A 63 -12.966 6.849 -9.307 1.00 0.00 C ATOM 879 C ASP A 63 -12.839 8.346 -9.180 1.00 0.00 C ATOM 880 O ASP A 63 -12.683 9.048 -10.183 1.00 0.00 O ATOM 881 CB ASP A 63 -11.629 6.166 -8.977 1.00 0.00 C ATOM 882 CG ASP A 63 -11.168 6.373 -7.554 1.00 0.00 C ATOM 883 OD1 ASP A 63 -11.577 5.599 -6.681 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -10.395 7.319 -7.297 1.00 0.00 O ATOM 0 H ASP A 63 -12.721 6.771 -11.376 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.728 6.520 -8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.723 5.097 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.863 6.543 -9.655 1.00 0.00 H new ATOM 889 N GLN A 64 -12.863 8.809 -7.941 1.00 0.00 N ATOM 890 CA GLN A 64 -12.746 10.220 -7.542 1.00 0.00 C ATOM 891 C GLN A 64 -11.462 10.866 -8.081 1.00 0.00 C ATOM 892 O GLN A 64 -11.365 12.086 -8.182 1.00 0.00 O ATOM 893 CB GLN A 64 -12.698 10.292 -6.030 1.00 0.00 C ATOM 894 CG GLN A 64 -13.906 9.704 -5.323 1.00 0.00 C ATOM 895 CD GLN A 64 -13.725 9.614 -3.814 1.00 0.00 C ATOM 896 OE1 GLN A 64 -14.682 9.723 -3.058 1.00 0.00 O ATOM 897 NE2 GLN A 64 -12.520 9.378 -3.363 1.00 0.00 N ATOM 0 H GLN A 64 -12.970 8.188 -7.139 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.604 10.754 -7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.804 9.772 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.594 11.336 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.782 10.314 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.104 8.708 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.740 9.292 -4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.361 9.280 -2.360 1.00 0.00 H new ATOM 906 N ASN A 65 -10.477 10.048 -8.415 1.00 0.00 N ATOM 907 CA ASN A 65 -9.204 10.545 -8.937 1.00 0.00 C ATOM 908 C ASN A 65 -9.273 10.734 -10.441 1.00 0.00 C ATOM 909 O ASN A 65 -8.241 10.890 -11.104 1.00 0.00 O ATOM 910 CB ASN A 65 -8.055 9.586 -8.605 1.00 0.00 C ATOM 911 CG ASN A 65 -7.775 9.414 -7.120 1.00 0.00 C ATOM 912 OD1 ASN A 65 -7.296 8.365 -6.698 1.00 0.00 O ATOM 913 ND2 ASN A 65 -8.053 10.415 -6.326 1.00 0.00 N ATOM 0 H ASN A 65 -10.530 9.033 -8.335 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.014 11.506 -8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.281 8.609 -9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.148 9.946 -9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.872 10.337 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.450 11.273 -6.708 1.00 0.00 H new ATOM 920 N CYS A 66 -10.495 10.696 -10.970 1.00 0.00 N ATOM 921 CA CYS A 66 -10.760 10.841 -12.389 1.00 0.00 C ATOM 922 C CYS A 66 -10.140 9.723 -13.161 1.00 0.00 C ATOM 923 O CYS A 66 -9.546 9.917 -14.217 1.00 0.00 O ATOM 924 CB CYS A 66 -10.342 12.211 -12.904 1.00 0.00 C ATOM 925 SG CYS A 66 -11.346 13.539 -12.205 1.00 0.00 S ATOM 0 H CYS A 66 -11.337 10.561 -10.411 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.838 10.777 -12.541 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.294 12.384 -12.661 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.424 12.229 -13.991 1.00 0.00 H new ATOM 930 N LYS A 67 -10.257 8.534 -12.590 1.00 0.00 N ATOM 931 CA LYS A 67 -9.830 7.340 -13.211 1.00 0.00 C ATOM 932 C LYS A 67 -10.755 7.107 -14.401 1.00 0.00 C ATOM 933 O LYS A 67 -11.877 6.604 -14.251 1.00 0.00 O ATOM 934 CB LYS A 67 -9.922 6.198 -12.198 1.00 0.00 C ATOM 935 CG LYS A 67 -9.044 4.981 -12.428 1.00 0.00 C ATOM 936 CD LYS A 67 -7.603 5.394 -12.454 1.00 0.00 C ATOM 937 CE LYS A 67 -7.152 5.623 -13.873 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.879 6.349 -13.948 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.662 8.395 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.797 7.397 -13.554 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.685 6.602 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.959 5.863 -12.163 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.208 4.248 -11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.311 4.500 -13.369 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.468 6.305 -11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.988 4.623 -11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.049 4.662 -14.378 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.918 6.184 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.613 6.481 -14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.982 7.278 -13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.139 5.804 -13.461 1.00 0.00 H new ATOM 952 N VAL A 68 -10.325 7.570 -15.532 1.00 0.00 N ATOM 953 CA VAL A 68 -11.116 7.553 -16.715 1.00 0.00 C ATOM 954 C VAL A 68 -10.852 6.337 -17.588 1.00 0.00 C ATOM 955 O VAL A 68 -9.784 6.180 -18.193 1.00 0.00 O ATOM 956 CB VAL A 68 -10.982 8.890 -17.513 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.522 9.273 -17.741 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.727 8.808 -18.835 1.00 0.00 C ATOM 0 H VAL A 68 -9.398 7.977 -15.658 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.154 7.467 -16.392 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.435 9.675 -16.907 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.474 10.208 -18.299 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.024 9.398 -16.779 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.024 8.486 -18.308 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.619 9.750 -19.372 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.314 7.998 -19.436 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.783 8.617 -18.646 1.00 0.00 H new ATOM 968 N ILE A 69 -11.802 5.460 -17.592 1.00 0.00 N ATOM 969 CA ILE A 69 -11.781 4.323 -18.449 1.00 0.00 C ATOM 970 C ILE A 69 -12.973 4.445 -19.368 1.00 0.00 C ATOM 971 O ILE A 69 -14.098 4.615 -18.910 1.00 0.00 O ATOM 972 CB ILE A 69 -11.794 2.943 -17.682 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.450 2.670 -16.963 1.00 0.00 C ATOM 974 CG2 ILE A 69 -12.106 1.784 -18.623 1.00 0.00 C ATOM 975 CD1 ILE A 69 -10.180 3.494 -15.721 1.00 0.00 C ATOM 0 H ILE A 69 -12.625 5.515 -16.992 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.842 4.317 -19.003 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.582 3.016 -16.933 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.415 1.615 -16.690 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.640 2.842 -17.672 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.107 0.850 -18.062 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.086 1.936 -19.075 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.349 1.737 -19.405 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.212 3.217 -15.304 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.173 4.553 -15.981 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.960 3.306 -14.983 1.00 0.00 H new ATOM 987 N LEU A 70 -12.726 4.438 -20.643 1.00 0.00 N ATOM 988 CA LEU A 70 -13.762 4.583 -21.612 1.00 0.00 C ATOM 989 C LEU A 70 -14.428 3.271 -21.858 1.00 0.00 C ATOM 990 O LEU A 70 -13.833 2.208 -21.671 1.00 0.00 O ATOM 991 CB LEU A 70 -13.248 5.148 -22.957 1.00 0.00 C ATOM 992 CG LEU A 70 -12.838 6.634 -23.016 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.613 6.938 -22.179 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.632 7.074 -24.457 1.00 0.00 C ATOM 0 H LEU A 70 -11.792 4.331 -21.040 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.473 5.298 -21.200 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.387 4.553 -23.260 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.025 4.987 -23.704 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.659 7.207 -22.584 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.372 7.998 -22.259 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.813 6.689 -21.137 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.771 6.346 -22.538 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.343 8.125 -24.479 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.846 6.472 -24.912 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.559 6.941 -25.014 1.00 0.00 H new ATOM 1006 N THR A 71 -15.614 3.353 -22.355 1.00 0.00 N ATOM 1007 CA THR A 71 -16.425 2.190 -22.685 1.00 0.00 C ATOM 1008 C THR A 71 -15.885 1.606 -23.966 1.00 0.00 C ATOM 1009 O THR A 71 -16.066 0.447 -24.284 1.00 0.00 O ATOM 1010 CB THR A 71 -17.870 2.622 -22.917 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.873 3.647 -23.917 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.488 3.167 -21.636 1.00 0.00 C ATOM 0 H THR A 71 -16.074 4.241 -22.555 1.00 0.00 H new ATOM 0 HA THR A 71 -16.392 1.463 -21.874 1.00 0.00 H new ATOM 0 HB THR A 71 -18.457 1.761 -23.238 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.789 3.795 -24.231 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.518 3.468 -21.828 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.473 2.394 -20.867 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.916 4.030 -21.294 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.173 2.467 -24.675 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.517 2.141 -25.919 1.00 0.00 C ATOM 1022 C ASN A 72 -13.271 1.307 -25.644 1.00 0.00 C ATOM 1023 O ASN A 72 -12.611 0.839 -26.564 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.141 3.429 -26.686 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.333 4.237 -27.251 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.192 4.923 -28.255 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -16.493 4.183 -26.626 1.00 0.00 N ATOM 0 H ASN A 72 -15.035 3.436 -24.389 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.203 1.561 -26.537 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.570 4.075 -26.019 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.482 3.161 -27.512 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.287 4.717 -26.978 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.596 3.607 -25.790 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.930 1.176 -24.357 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.828 0.352 -23.941 1.00 0.00 C ATOM 1036 C GLY A 73 -10.596 1.159 -23.706 1.00 0.00 C ATOM 1037 O GLY A 73 -9.581 0.645 -23.267 1.00 0.00 O ATOM 0 H GLY A 73 -13.417 1.642 -23.591 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.095 -0.179 -23.028 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.630 -0.402 -24.702 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.691 2.437 -23.942 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.545 3.279 -23.861 1.00 0.00 C ATOM 1043 C LYS A 74 -9.371 3.798 -22.459 1.00 0.00 C ATOM 1044 O LYS A 74 -10.330 3.948 -21.726 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.652 4.430 -24.855 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.736 4.000 -26.317 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.466 3.298 -26.773 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.539 2.860 -28.232 1.00 0.00 C ATOM 1049 NZ LYS A 74 -8.766 3.996 -29.151 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.557 2.914 -24.193 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.665 2.689 -24.119 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.535 5.022 -24.612 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.787 5.082 -24.731 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.588 3.334 -26.452 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.913 4.874 -26.943 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.616 3.967 -26.639 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.289 2.427 -26.143 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.612 2.356 -28.504 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.343 2.134 -28.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.623 3.683 -30.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.739 4.346 -29.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.096 4.760 -28.931 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.162 4.070 -22.104 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.833 4.607 -20.788 1.00 0.00 C ATOM 1065 C GLN A 75 -7.553 6.099 -20.909 1.00 0.00 C ATOM 1066 O GLN A 75 -6.836 6.690 -20.094 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.644 3.857 -20.188 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.897 2.365 -20.030 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.738 1.631 -19.403 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.664 1.482 -18.179 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.837 1.158 -20.216 1.00 0.00 N ATOM 0 H GLN A 75 -7.353 3.932 -22.710 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.677 4.468 -20.113 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.770 4.006 -20.823 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.407 4.284 -19.214 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.787 2.216 -19.418 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.107 1.933 -21.008 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.932 1.301 -21.221 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.036 0.645 -19.847 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.181 6.675 -21.936 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.136 8.094 -22.297 1.00 0.00 C ATOM 1082 C ALA A 76 -6.844 8.491 -22.999 1.00 0.00 C ATOM 1083 O ALA A 76 -5.748 8.079 -22.601 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.443 9.021 -21.121 1.00 0.00 C ATOM 0 H ALA A 76 -8.767 6.135 -22.573 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.940 8.226 -23.021 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.394 10.058 -21.453 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.442 8.808 -20.741 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.712 8.858 -20.329 1.00 0.00 H new ATOM 1090 N PRO A 77 -6.964 9.261 -24.102 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.813 9.795 -24.816 1.00 0.00 C ATOM 1092 C PRO A 77 -5.017 10.746 -23.924 1.00 0.00 C ATOM 1093 O PRO A 77 -5.581 11.400 -23.031 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.429 10.558 -25.998 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.853 10.775 -25.637 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.240 9.649 -24.740 1.00 0.00 C ATOM 0 HA PRO A 77 -5.119 9.016 -25.131 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.917 11.507 -26.161 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.342 9.986 -26.922 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.984 11.733 -25.135 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.480 10.794 -26.528 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.979 9.960 -24.002 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.677 8.822 -25.300 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.733 10.824 -24.174 1.00 0.00 N ATOM 1105 CA ASP A 78 -2.784 11.632 -23.385 1.00 0.00 C ATOM 1106 C ASP A 78 -3.193 13.101 -23.284 1.00 0.00 C ATOM 1107 O ASP A 78 -3.030 13.735 -22.241 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.379 11.518 -23.990 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.362 12.373 -23.273 1.00 0.00 C ATOM 1110 OD1 ASP A 78 0.210 11.921 -22.257 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -0.109 13.494 -23.708 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.291 10.323 -24.945 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.790 11.233 -22.371 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.058 10.477 -23.959 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.416 11.809 -25.040 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.754 13.615 -24.356 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.157 15.008 -24.427 1.00 0.00 C ATOM 1118 C TRP A 79 -5.447 15.283 -23.648 1.00 0.00 C ATOM 1119 O TRP A 79 -5.759 16.422 -23.353 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.311 15.447 -25.895 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.341 14.684 -26.659 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -5.123 13.587 -27.393 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.748 14.967 -26.760 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.288 13.152 -27.957 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.300 13.983 -27.578 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.586 15.955 -26.236 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.642 13.944 -27.889 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.929 15.918 -26.546 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.446 14.915 -27.368 1.00 0.00 C ATOM 0 H TRP A 79 -3.945 13.082 -25.204 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.368 15.595 -23.957 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.567 16.506 -25.920 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.349 15.340 -26.397 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.161 13.112 -27.521 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.385 12.338 -28.563 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.189 16.733 -25.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -9.044 13.169 -28.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.589 16.674 -26.148 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.502 14.908 -27.596 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.193 14.252 -23.329 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.439 14.435 -22.629 1.00 0.00 C ATOM 1142 C LEU A 80 -7.149 14.515 -21.156 1.00 0.00 C ATOM 1143 O LEU A 80 -6.594 13.581 -20.576 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.420 13.294 -22.941 1.00 0.00 C ATOM 1145 CG LEU A 80 -9.789 13.362 -22.250 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.542 14.618 -22.656 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.612 12.121 -22.566 1.00 0.00 C ATOM 0 H LEU A 80 -5.959 13.282 -23.542 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.914 15.359 -22.958 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.582 13.268 -24.019 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.946 12.351 -22.667 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.621 13.400 -21.174 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.508 14.642 -22.152 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.963 15.497 -22.372 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.695 14.618 -23.735 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.579 12.189 -22.067 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.764 12.050 -23.643 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.084 11.235 -22.215 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.488 15.617 -20.561 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.195 15.831 -19.179 1.00 0.00 C ATOM 1161 C ALA A 81 -8.459 15.827 -18.389 1.00 0.00 C ATOM 1162 O ALA A 81 -9.479 16.330 -18.848 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.460 17.140 -18.985 1.00 0.00 C ATOM 0 H ALA A 81 -7.973 16.389 -21.018 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.552 15.024 -18.829 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.246 17.284 -17.926 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.525 17.118 -19.544 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.079 17.962 -19.345 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.403 15.251 -17.233 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.528 15.190 -16.360 1.00 0.00 C ATOM 1171 C ALA A 82 -9.108 15.713 -15.010 1.00 0.00 C ATOM 1172 O ALA A 82 -8.080 15.295 -14.474 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.006 13.753 -16.255 1.00 0.00 C ATOM 0 H ALA A 82 -7.564 14.804 -16.864 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.348 15.797 -16.744 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.866 13.704 -15.588 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.292 13.391 -17.243 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.204 13.131 -15.859 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.855 16.628 -14.473 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.538 17.204 -13.196 1.00 0.00 C ATOM 1181 C GLU A 83 -10.749 17.096 -12.290 1.00 0.00 C ATOM 1182 O GLU A 83 -11.834 17.588 -12.637 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.084 18.657 -13.339 1.00 0.00 C ATOM 1184 CG GLU A 83 -7.877 18.840 -14.248 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.394 20.255 -14.283 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -7.999 21.094 -14.964 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -6.408 20.575 -13.590 1.00 0.00 O ATOM 0 H GLU A 83 -10.702 16.999 -14.905 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.707 16.654 -12.753 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.912 19.249 -13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.846 19.052 -12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.069 18.192 -13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.136 18.523 -15.258 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.593 16.442 -11.140 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.694 16.180 -10.223 1.00 0.00 C ATOM 1196 C PRO A 84 -12.244 17.443 -9.602 1.00 0.00 C ATOM 1197 O PRO A 84 -11.491 18.364 -9.270 1.00 0.00 O ATOM 1198 CB PRO A 84 -11.037 15.301 -9.152 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.612 15.680 -9.186 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.319 15.896 -10.620 1.00 0.00 C ATOM 0 HA PRO A 84 -12.547 15.720 -10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.472 15.481 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.171 14.242 -9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.428 16.582 -8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.983 14.895 -8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.493 16.593 -10.763 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.043 14.968 -11.120 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.529 17.510 -9.474 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.122 18.602 -8.830 1.00 0.00 C ATOM 1210 C TYR A 85 -15.043 18.092 -7.731 1.00 0.00 C ATOM 1211 O TYR A 85 -16.179 17.638 -8.027 1.00 0.00 O ATOM 1212 CB TYR A 85 -14.835 19.551 -9.794 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.218 20.859 -9.128 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.285 21.876 -8.972 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.487 21.066 -8.636 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -14.619 23.059 -8.345 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -16.831 22.241 -8.015 1.00 0.00 C ATOM 1218 CZ TYR A 85 -15.897 23.236 -7.864 1.00 0.00 C ATOM 1219 OH TYR A 85 -16.248 24.417 -7.225 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.629 18.131 -6.553 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.182 16.805 -9.816 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.333 19.205 -8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.187 19.755 -10.647 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.731 19.067 -10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.282 21.739 -9.348 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.228 20.287 -8.741 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.883 23.841 -8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.836 22.383 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 85 -17.188 24.374 -6.950 1.00 0.00 H new TER 1230 TYR A 85