USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 539 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 10 SER OG : rot 117:sc= 1.3 USER MOD Set 1.2: A 66 HIS : no HE2:sc= -1.12! C(o=0.18!,f=-6.3!) USER MOD Set 2.1: A 13 ASN : amide:sc= -1.43 X(o=-3.2,f=-3.3) USER MOD Set 2.2: A 61 SER OG : rot 45:sc= -1.76! USER MOD Set 3.1: A 44 SER OG : rot 41:sc= 0.555 USER MOD Set 3.2: A 57 THR OG1 : rot 105:sc= 1.78 USER MOD Set 4.1: A 33 LYS NZ :NH3+ -147:sc= 0.785 (180deg=0) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.643 K(o=1.4,f=-1.3) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.144 (180deg=-0.703) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0596 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.54! C(o=-1.5!,f=-12!) USER MOD Single : A 16 SER OG : rot 109:sc= 0.0755 USER MOD Single : A 20 THR OG1 : rot -166:sc= 0.79 USER MOD Single : A 21 ASN : amide:sc=-0.00111 X(o=-0.0011,f=-0.24) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.14) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.565 F(o=-1.5!,f=-0.56) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 41 SER OG : rot -34:sc= 0.648 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.225 K(o=-0.22,f=-3.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.08) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.094) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.128 20.057 3.810 1.00 75.13 N ATOM 2 CA MET A 1 -7.450 19.474 3.500 1.00 33.03 C ATOM 3 C MET A 1 -8.026 20.135 2.256 1.00 1.42 C ATOM 4 O MET A 1 -7.736 21.303 1.980 1.00 74.43 O ATOM 5 CB MET A 1 -8.397 19.653 4.693 1.00 23.33 C ATOM 6 CG MET A 1 -9.773 19.039 4.491 1.00 53.14 C ATOM 7 SD MET A 1 -10.823 19.166 5.952 1.00 33.24 S ATOM 8 CE MET A 1 -9.897 18.167 7.119 1.00 1.13 C ATOM 0 H1 MET A 1 -5.993 20.083 4.841 1.00 75.13 H new ATOM 0 H2 MET A 1 -5.382 19.475 3.378 1.00 75.13 H new ATOM 0 H3 MET A 1 -6.077 21.024 3.430 1.00 75.13 H new ATOM 0 HA MET A 1 -7.336 18.407 3.308 1.00 33.03 H new ATOM 0 HB2 MET A 1 -7.939 19.209 5.577 1.00 23.33 H new ATOM 0 HB3 MET A 1 -8.512 20.718 4.895 1.00 23.33 H new ATOM 0 HG2 MET A 1 -10.265 19.532 3.653 1.00 53.14 H new ATOM 0 HG3 MET A 1 -9.660 17.989 4.222 1.00 53.14 H new ATOM 0 HE1 MET A 1 -10.554 17.851 7.929 1.00 1.13 H new ATOM 0 HE2 MET A 1 -9.499 17.289 6.611 1.00 1.13 H new ATOM 0 HE3 MET A 1 -9.074 18.754 7.527 1.00 1.13 H new ATOM 20 N ILE A 2 -8.818 19.372 1.494 1.00 71.51 N ATOM 21 CA ILE A 2 -9.398 19.843 0.237 1.00 55.00 C ATOM 22 C ILE A 2 -8.283 20.047 -0.801 1.00 23.31 C ATOM 23 O ILE A 2 -8.465 20.681 -1.839 1.00 10.31 O ATOM 24 CB ILE A 2 -10.229 21.142 0.443 1.00 4.15 C ATOM 25 CG1 ILE A 2 -11.195 20.968 1.621 1.00 21.51 C ATOM 26 CG2 ILE A 2 -11.018 21.495 -0.814 1.00 53.30 C ATOM 27 CD1 ILE A 2 -11.979 22.216 1.962 1.00 5.15 C ATOM 0 H ILE A 2 -9.073 18.414 1.733 1.00 71.51 H new ATOM 0 HA ILE A 2 -10.088 19.085 -0.135 1.00 55.00 H new ATOM 0 HB ILE A 2 -9.534 21.954 0.656 1.00 4.15 H new ATOM 0 HG12 ILE A 2 -11.894 20.164 1.389 1.00 21.51 H new ATOM 0 HG13 ILE A 2 -10.629 20.655 2.499 1.00 21.51 H new ATOM 0 HG21 ILE A 2 -11.589 22.407 -0.641 1.00 53.30 H new ATOM 0 HG22 ILE A 2 -10.329 21.650 -1.644 1.00 53.30 H new ATOM 0 HG23 ILE A 2 -11.700 20.680 -1.056 1.00 53.30 H new ATOM 0 HD11 ILE A 2 -12.639 22.012 2.805 1.00 5.15 H new ATOM 0 HD12 ILE A 2 -11.290 23.018 2.227 1.00 5.15 H new ATOM 0 HD13 ILE A 2 -12.574 22.519 1.100 1.00 5.15 H new ATOM 39 N GLY A 3 -7.127 19.459 -0.520 1.00 35.40 N ATOM 40 CA GLY A 3 -6.011 19.529 -1.439 1.00 55.15 C ATOM 41 C GLY A 3 -5.893 18.263 -2.251 1.00 10.14 C ATOM 42 O GLY A 3 -4.935 18.077 -3.007 1.00 43.03 O ATOM 0 H GLY A 3 -6.943 18.932 0.334 1.00 35.40 H new ATOM 0 HA2 GLY A 3 -6.139 20.381 -2.106 1.00 55.15 H new ATOM 0 HA3 GLY A 3 -5.088 19.695 -0.883 1.00 55.15 H new ATOM 46 N ASP A 4 -6.871 17.388 -2.079 1.00 52.32 N ATOM 47 CA ASP A 4 -6.921 16.136 -2.815 1.00 22.03 C ATOM 48 C ASP A 4 -7.249 16.406 -4.277 1.00 73.24 C ATOM 49 O ASP A 4 -8.403 16.646 -4.637 1.00 3.35 O ATOM 50 CB ASP A 4 -7.962 15.194 -2.202 1.00 2.33 C ATOM 51 CG ASP A 4 -7.911 13.796 -2.791 1.00 60.12 C ATOM 52 OD1 ASP A 4 -8.420 13.594 -3.913 1.00 53.05 O ATOM 53 OD2 ASP A 4 -7.384 12.887 -2.117 1.00 55.51 O ATOM 0 H ASP A 4 -7.646 17.524 -1.431 1.00 52.32 H new ATOM 0 HA ASP A 4 -5.945 15.655 -2.754 1.00 22.03 H new ATOM 0 HB2 ASP A 4 -7.803 15.135 -1.125 1.00 2.33 H new ATOM 0 HB3 ASP A 4 -8.957 15.611 -2.355 1.00 2.33 H new ATOM 58 N TYR A 5 -6.218 16.410 -5.100 1.00 52.03 N ATOM 59 CA TYR A 5 -6.367 16.634 -6.528 1.00 11.52 C ATOM 60 C TYR A 5 -5.598 15.549 -7.276 1.00 14.41 C ATOM 61 O TYR A 5 -5.093 15.755 -8.379 1.00 1.21 O ATOM 62 CB TYR A 5 -5.857 18.037 -6.893 1.00 42.22 C ATOM 63 CG TYR A 5 -6.113 18.442 -8.334 1.00 1.32 C ATOM 64 CD1 TYR A 5 -7.404 18.532 -8.837 1.00 61.00 C ATOM 65 CD2 TYR A 5 -5.056 18.740 -9.189 1.00 11.22 C ATOM 66 CE1 TYR A 5 -7.636 18.904 -10.149 1.00 55.31 C ATOM 67 CE2 TYR A 5 -5.280 19.111 -10.501 1.00 51.15 C ATOM 68 CZ TYR A 5 -6.572 19.192 -10.977 1.00 23.10 C ATOM 69 OH TYR A 5 -6.802 19.566 -12.285 1.00 1.11 O ATOM 0 H TYR A 5 -5.255 16.259 -4.800 1.00 52.03 H new ATOM 0 HA TYR A 5 -7.418 16.581 -6.813 1.00 11.52 H new ATOM 0 HB2 TYR A 5 -6.330 18.765 -6.234 1.00 42.22 H new ATOM 0 HB3 TYR A 5 -4.785 18.082 -6.701 1.00 42.22 H new ATOM 0 HD1 TYR A 5 -8.241 18.308 -8.193 1.00 61.00 H new ATOM 0 HD2 TYR A 5 -4.043 18.680 -8.820 1.00 11.22 H new ATOM 0 HE1 TYR A 5 -8.647 18.969 -10.523 1.00 55.31 H new ATOM 0 HE2 TYR A 5 -4.447 19.337 -11.151 1.00 51.15 H new ATOM 0 HH TYR A 5 -5.946 19.735 -12.732 1.00 1.11 H new ATOM 79 N TYR A 6 -5.514 14.381 -6.654 1.00 24.42 N ATOM 80 CA TYR A 6 -4.804 13.255 -7.232 1.00 32.44 C ATOM 81 C TYR A 6 -5.542 12.732 -8.453 1.00 42.21 C ATOM 82 O TYR A 6 -6.767 12.837 -8.537 1.00 53.33 O ATOM 83 CB TYR A 6 -4.650 12.134 -6.201 1.00 22.41 C ATOM 84 CG TYR A 6 -3.786 12.512 -5.020 1.00 12.11 C ATOM 85 CD1 TYR A 6 -2.408 12.360 -5.074 1.00 64.23 C ATOM 86 CD2 TYR A 6 -4.345 13.023 -3.854 1.00 74.45 C ATOM 87 CE1 TYR A 6 -1.609 12.704 -4.001 1.00 23.33 C ATOM 88 CE2 TYR A 6 -3.553 13.373 -2.778 1.00 71.30 C ATOM 89 CZ TYR A 6 -2.186 13.210 -2.856 1.00 34.54 C ATOM 90 OH TYR A 6 -1.393 13.563 -1.789 1.00 12.54 O ATOM 0 H TYR A 6 -5.933 14.191 -5.743 1.00 24.42 H new ATOM 0 HA TYR A 6 -3.814 13.595 -7.536 1.00 32.44 H new ATOM 0 HB2 TYR A 6 -5.637 11.845 -5.840 1.00 22.41 H new ATOM 0 HB3 TYR A 6 -4.221 11.259 -6.689 1.00 22.41 H new ATOM 0 HD1 TYR A 6 -1.952 11.966 -5.970 1.00 64.23 H new ATOM 0 HD2 TYR A 6 -5.416 13.148 -3.789 1.00 74.45 H new ATOM 0 HE1 TYR A 6 -0.538 12.577 -4.059 1.00 23.33 H new ATOM 0 HE2 TYR A 6 -4.002 13.772 -1.880 1.00 71.30 H new ATOM 0 HH TYR A 6 -1.955 13.903 -1.062 1.00 12.54 H new ATOM 100 N ILE A 7 -4.792 12.184 -9.398 1.00 73.52 N ATOM 101 CA ILE A 7 -5.384 11.592 -10.586 1.00 34.23 C ATOM 102 C ILE A 7 -6.298 10.449 -10.174 1.00 11.51 C ATOM 103 O ILE A 7 -7.437 10.358 -10.635 1.00 0.34 O ATOM 104 CB ILE A 7 -4.318 11.069 -11.582 1.00 54.44 C ATOM 105 CG1 ILE A 7 -3.437 12.207 -12.109 1.00 4.21 C ATOM 106 CG2 ILE A 7 -4.983 10.350 -12.747 1.00 44.34 C ATOM 107 CD1 ILE A 7 -2.390 12.689 -11.129 1.00 50.41 C ATOM 0 H ILE A 7 -3.774 12.138 -9.364 1.00 73.52 H new ATOM 0 HA ILE A 7 -5.949 12.372 -11.096 1.00 34.23 H new ATOM 0 HB ILE A 7 -3.682 10.367 -11.043 1.00 54.44 H new ATOM 0 HG12 ILE A 7 -2.939 11.874 -13.020 1.00 4.21 H new ATOM 0 HG13 ILE A 7 -4.075 13.047 -12.384 1.00 4.21 H new ATOM 0 HG21 ILE A 7 -4.219 9.990 -13.436 1.00 44.34 H new ATOM 0 HG22 ILE A 7 -5.560 9.505 -12.371 1.00 44.34 H new ATOM 0 HG23 ILE A 7 -5.646 11.039 -13.269 1.00 44.34 H new ATOM 0 HD11 ILE A 7 -1.811 13.494 -11.582 1.00 50.41 H new ATOM 0 HD12 ILE A 7 -2.878 13.056 -10.226 1.00 50.41 H new ATOM 0 HD13 ILE A 7 -1.725 11.864 -10.872 1.00 50.41 H new ATOM 119 N ASN A 8 -5.779 9.600 -9.282 1.00 62.33 N ATOM 120 CA ASN A 8 -6.540 8.502 -8.688 1.00 11.42 C ATOM 121 C ASN A 8 -6.881 7.444 -9.735 1.00 52.22 C ATOM 122 O ASN A 8 -6.256 6.383 -9.768 1.00 11.41 O ATOM 123 CB ASN A 8 -7.799 9.045 -7.994 1.00 3.32 C ATOM 124 CG ASN A 8 -8.474 8.026 -7.097 1.00 13.34 C ATOM 125 OD1 ASN A 8 -9.459 7.389 -7.479 1.00 52.22 O ATOM 126 ND2 ASN A 8 -7.941 7.851 -5.897 1.00 23.24 N ATOM 0 H ASN A 8 -4.816 9.657 -8.952 1.00 62.33 H new ATOM 0 HA ASN A 8 -5.923 8.016 -7.932 1.00 11.42 H new ATOM 0 HB2 ASN A 8 -7.531 9.920 -7.401 1.00 3.32 H new ATOM 0 HB3 ASN A 8 -8.508 9.379 -8.752 1.00 3.32 H new ATOM 0 HD21 ASN A 8 -8.345 7.171 -5.254 1.00 23.24 H new ATOM 0 HD22 ASN A 8 -7.126 8.397 -5.616 1.00 23.24 H new ATOM 133 N ALA A 9 -7.845 7.752 -10.601 1.00 61.40 N ATOM 134 CA ALA A 9 -8.225 6.871 -11.703 1.00 24.35 C ATOM 135 C ALA A 9 -8.660 5.492 -11.203 1.00 1.02 C ATOM 136 O ALA A 9 -9.186 5.350 -10.096 1.00 30.43 O ATOM 137 CB ALA A 9 -7.075 6.751 -12.698 1.00 73.15 C ATOM 0 H ALA A 9 -8.383 8.617 -10.558 1.00 61.40 H new ATOM 0 HA ALA A 9 -9.083 7.315 -12.207 1.00 24.35 H new ATOM 0 HB1 ALA A 9 -7.368 6.092 -13.515 1.00 73.15 H new ATOM 0 HB2 ALA A 9 -6.833 7.737 -13.095 1.00 73.15 H new ATOM 0 HB3 ALA A 9 -6.200 6.338 -12.195 1.00 73.15 H new ATOM 143 N SER A 10 -8.509 4.491 -12.054 1.00 42.41 N ATOM 144 CA SER A 10 -8.814 3.122 -11.688 1.00 73.01 C ATOM 145 C SER A 10 -7.810 2.173 -12.337 1.00 45.43 C ATOM 146 O SER A 10 -7.918 1.847 -13.518 1.00 24.13 O ATOM 147 CB SER A 10 -10.244 2.779 -12.112 1.00 13.54 C ATOM 148 OG SER A 10 -11.160 3.736 -11.596 1.00 15.15 O ATOM 0 H SER A 10 -8.174 4.605 -13.011 1.00 42.41 H new ATOM 0 HA SER A 10 -8.739 3.010 -10.606 1.00 73.01 H new ATOM 0 HB2 SER A 10 -10.311 2.753 -13.200 1.00 13.54 H new ATOM 0 HB3 SER A 10 -10.507 1.784 -11.753 1.00 13.54 H new ATOM 0 HG SER A 10 -11.596 4.205 -12.338 1.00 15.15 H new ATOM 154 N ALA A 11 -6.805 1.775 -11.569 1.00 40.34 N ATOM 155 CA ALA A 11 -5.768 0.881 -12.058 1.00 71.11 C ATOM 156 C ALA A 11 -5.368 -0.097 -10.960 1.00 4.54 C ATOM 157 O ALA A 11 -6.163 -0.385 -10.062 1.00 12.45 O ATOM 158 CB ALA A 11 -4.564 1.690 -12.525 1.00 25.34 C ATOM 0 H ALA A 11 -6.687 2.061 -10.597 1.00 40.34 H new ATOM 0 HA ALA A 11 -6.151 0.312 -12.905 1.00 71.11 H new ATOM 0 HB1 ALA A 11 -3.791 1.014 -12.890 1.00 25.34 H new ATOM 0 HB2 ALA A 11 -4.867 2.362 -13.328 1.00 25.34 H new ATOM 0 HB3 ALA A 11 -4.172 2.273 -11.692 1.00 25.34 H new ATOM 164 N LEU A 12 -4.150 -0.619 -11.042 1.00 21.55 N ATOM 165 CA LEU A 12 -3.616 -1.478 -9.992 1.00 71.32 C ATOM 166 C LEU A 12 -3.316 -0.641 -8.749 1.00 70.25 C ATOM 167 O LEU A 12 -2.230 -0.086 -8.604 1.00 22.33 O ATOM 168 CB LEU A 12 -2.359 -2.203 -10.481 1.00 22.54 C ATOM 169 CG LEU A 12 -2.558 -3.069 -11.727 1.00 10.32 C ATOM 170 CD1 LEU A 12 -1.240 -3.686 -12.164 1.00 51.34 C ATOM 171 CD2 LEU A 12 -3.590 -4.155 -11.465 1.00 50.13 C ATOM 0 H LEU A 12 -3.514 -0.463 -11.824 1.00 21.55 H new ATOM 0 HA LEU A 12 -4.358 -2.234 -9.734 1.00 71.32 H new ATOM 0 HB2 LEU A 12 -1.588 -1.462 -10.691 1.00 22.54 H new ATOM 0 HB3 LEU A 12 -1.984 -2.833 -9.675 1.00 22.54 H new ATOM 0 HG LEU A 12 -2.925 -2.431 -12.531 1.00 10.32 H new ATOM 0 HD11 LEU A 12 -1.401 -4.298 -13.051 1.00 51.34 H new ATOM 0 HD12 LEU A 12 -0.526 -2.895 -12.394 1.00 51.34 H new ATOM 0 HD13 LEU A 12 -0.845 -4.308 -11.361 1.00 51.34 H new ATOM 0 HD21 LEU A 12 -3.717 -4.760 -12.363 1.00 50.13 H new ATOM 0 HD22 LEU A 12 -3.251 -4.789 -10.645 1.00 50.13 H new ATOM 0 HD23 LEU A 12 -4.542 -3.696 -11.199 1.00 50.13 H new ATOM 183 N ASN A 13 -4.311 -0.538 -7.874 1.00 33.02 N ATOM 184 CA ASN A 13 -4.267 0.405 -6.759 1.00 11.15 C ATOM 185 C ASN A 13 -3.823 -0.260 -5.462 1.00 71.42 C ATOM 186 O ASN A 13 -3.232 0.386 -4.601 1.00 11.51 O ATOM 187 CB ASN A 13 -5.646 1.039 -6.560 1.00 75.12 C ATOM 188 CG ASN A 13 -6.154 1.752 -7.801 1.00 63.44 C ATOM 189 OD1 ASN A 13 -5.383 2.284 -8.596 1.00 75.13 O ATOM 190 ND2 ASN A 13 -7.465 1.761 -7.978 1.00 23.22 N ATOM 0 H ASN A 13 -5.162 -1.098 -7.915 1.00 33.02 H new ATOM 0 HA ASN A 13 -3.533 1.171 -7.009 1.00 11.15 H new ATOM 0 HB2 ASN A 13 -6.358 0.265 -6.275 1.00 75.12 H new ATOM 0 HB3 ASN A 13 -5.598 1.748 -5.734 1.00 75.12 H new ATOM 0 HD21 ASN A 13 -7.866 2.220 -8.796 1.00 23.22 H new ATOM 0 HD22 ASN A 13 -8.075 1.309 -7.297 1.00 23.22 H new ATOM 197 N VAL A 14 -4.125 -1.548 -5.315 1.00 71.22 N ATOM 198 CA VAL A 14 -3.756 -2.280 -4.103 1.00 4.43 C ATOM 199 C VAL A 14 -2.241 -2.360 -3.993 1.00 72.32 C ATOM 200 O VAL A 14 -1.665 -2.037 -2.956 1.00 42.42 O ATOM 201 CB VAL A 14 -4.351 -3.705 -4.084 1.00 14.31 C ATOM 202 CG1 VAL A 14 -3.949 -4.442 -2.814 1.00 53.21 C ATOM 203 CG2 VAL A 14 -5.865 -3.650 -4.210 1.00 34.33 C ATOM 0 H VAL A 14 -4.620 -2.104 -6.013 1.00 71.22 H new ATOM 0 HA VAL A 14 -4.166 -1.736 -3.252 1.00 4.43 H new ATOM 0 HB VAL A 14 -3.951 -4.253 -4.937 1.00 14.31 H new ATOM 0 HG11 VAL A 14 -4.380 -5.443 -2.823 1.00 53.21 H new ATOM 0 HG12 VAL A 14 -2.863 -4.515 -2.764 1.00 53.21 H new ATOM 0 HG13 VAL A 14 -4.317 -3.897 -1.945 1.00 53.21 H new ATOM 0 HG21 VAL A 14 -6.268 -4.663 -4.195 1.00 34.33 H new ATOM 0 HG22 VAL A 14 -6.279 -3.082 -3.377 1.00 34.33 H new ATOM 0 HG23 VAL A 14 -6.135 -3.166 -5.149 1.00 34.33 H new ATOM 213 N ARG A 15 -1.621 -2.809 -5.074 1.00 33.01 N ATOM 214 CA ARG A 15 -0.177 -2.765 -5.243 1.00 21.23 C ATOM 215 C ARG A 15 0.134 -2.763 -6.724 1.00 11.22 C ATOM 216 O ARG A 15 -0.788 -2.728 -7.540 1.00 70.00 O ATOM 217 CB ARG A 15 0.540 -3.942 -4.567 1.00 70.03 C ATOM 218 CG ARG A 15 0.708 -3.783 -3.065 1.00 12.24 C ATOM 219 CD ARG A 15 2.057 -4.299 -2.594 1.00 54.21 C ATOM 220 NE ARG A 15 3.157 -3.493 -3.118 1.00 62.44 N ATOM 221 CZ ARG A 15 4.360 -3.408 -2.562 1.00 50.54 C ATOM 222 NH1 ARG A 15 4.654 -4.127 -1.485 1.00 63.14 N ATOM 223 NH2 ARG A 15 5.270 -2.608 -3.097 1.00 34.34 N ATOM 0 H ARG A 15 -2.113 -3.219 -5.868 1.00 33.01 H new ATOM 0 HA ARG A 15 0.188 -1.858 -4.762 1.00 21.23 H new ATOM 0 HB2 ARG A 15 -0.019 -4.857 -4.765 1.00 70.03 H new ATOM 0 HB3 ARG A 15 1.523 -4.065 -5.021 1.00 70.03 H new ATOM 0 HG2 ARG A 15 0.606 -2.731 -2.797 1.00 12.24 H new ATOM 0 HG3 ARG A 15 -0.088 -4.322 -2.551 1.00 12.24 H new ATOM 0 HD2 ARG A 15 2.089 -4.293 -1.504 1.00 54.21 H new ATOM 0 HD3 ARG A 15 2.181 -5.334 -2.911 1.00 54.21 H new ATOM 0 HE ARG A 15 2.989 -2.958 -3.970 1.00 62.44 H new ATOM 0 HH11 ARG A 15 3.954 -4.749 -1.080 1.00 63.14 H new ATOM 0 HH12 ARG A 15 5.580 -4.057 -1.062 1.00 63.14 H new ATOM 0 HH21 ARG A 15 5.044 -2.063 -3.929 1.00 34.34 H new ATOM 0 HH22 ARG A 15 6.197 -2.536 -2.677 1.00 34.34 H new ATOM 237 N SER A 16 1.423 -2.787 -7.058 1.00 13.52 N ATOM 238 CA SER A 16 1.876 -2.814 -8.446 1.00 64.22 C ATOM 239 C SER A 16 1.711 -1.430 -9.085 1.00 3.41 C ATOM 240 O SER A 16 1.997 -1.229 -10.265 1.00 71.21 O ATOM 241 CB SER A 16 1.108 -3.893 -9.236 1.00 63.23 C ATOM 242 OG SER A 16 1.615 -4.057 -10.553 1.00 2.41 O ATOM 0 H SER A 16 2.181 -2.788 -6.375 1.00 13.52 H new ATOM 0 HA SER A 16 2.935 -3.070 -8.471 1.00 64.22 H new ATOM 0 HB2 SER A 16 1.169 -4.843 -8.704 1.00 63.23 H new ATOM 0 HB3 SER A 16 0.053 -3.623 -9.286 1.00 63.23 H new ATOM 0 HG SER A 16 2.085 -4.914 -10.618 1.00 2.41 H new ATOM 248 N GLY A 17 1.284 -0.464 -8.282 1.00 43.33 N ATOM 249 CA GLY A 17 1.116 0.891 -8.768 1.00 15.23 C ATOM 250 C GLY A 17 2.155 1.829 -8.198 1.00 63.35 C ATOM 251 O GLY A 17 1.997 3.049 -8.236 1.00 50.41 O ATOM 0 H GLY A 17 1.050 -0.596 -7.298 1.00 43.33 H new ATOM 0 HA2 GLY A 17 1.180 0.897 -9.856 1.00 15.23 H new ATOM 0 HA3 GLY A 17 0.121 1.250 -8.506 1.00 15.23 H new ATOM 255 N GLU A 18 3.223 1.259 -7.660 1.00 41.32 N ATOM 256 CA GLU A 18 4.289 2.050 -7.068 1.00 64.32 C ATOM 257 C GLU A 18 5.427 2.167 -8.062 1.00 25.12 C ATOM 258 O GLU A 18 5.963 3.251 -8.302 1.00 32.22 O ATOM 259 CB GLU A 18 4.838 1.389 -5.796 1.00 75.41 C ATOM 260 CG GLU A 18 3.887 0.405 -5.134 1.00 44.05 C ATOM 261 CD GLU A 18 3.924 -0.957 -5.800 1.00 55.20 C ATOM 262 OE1 GLU A 18 4.570 -1.080 -6.865 1.00 43.12 O ATOM 263 OE2 GLU A 18 3.320 -1.905 -5.258 1.00 3.14 O ATOM 0 H GLU A 18 3.374 0.251 -7.622 1.00 41.32 H new ATOM 0 HA GLU A 18 3.880 3.028 -6.813 1.00 64.32 H new ATOM 0 HB2 GLU A 18 5.764 0.869 -6.043 1.00 75.41 H new ATOM 0 HB3 GLU A 18 5.092 2.168 -5.078 1.00 75.41 H new ATOM 0 HG2 GLU A 18 4.148 0.301 -4.081 1.00 44.05 H new ATOM 0 HG3 GLU A 18 2.872 0.800 -5.173 1.00 44.05 H new ATOM 270 N GLY A 19 5.776 1.028 -8.641 1.00 2.43 N ATOM 271 CA GLY A 19 6.925 0.952 -9.514 1.00 21.44 C ATOM 272 C GLY A 19 8.094 0.322 -8.798 1.00 72.32 C ATOM 273 O GLY A 19 9.199 0.239 -9.332 1.00 13.33 O ATOM 0 H GLY A 19 5.277 0.147 -8.519 1.00 2.43 H new ATOM 0 HA2 GLY A 19 6.677 0.368 -10.401 1.00 21.44 H new ATOM 0 HA3 GLY A 19 7.196 1.951 -9.855 1.00 21.44 H new ATOM 277 N THR A 20 7.835 -0.127 -7.576 1.00 42.33 N ATOM 278 CA THR A 20 8.861 -0.727 -6.743 1.00 13.31 C ATOM 279 C THR A 20 8.746 -2.251 -6.757 1.00 55.05 C ATOM 280 O THR A 20 9.721 -2.956 -7.014 1.00 52.04 O ATOM 281 CB THR A 20 8.745 -0.218 -5.299 1.00 52.24 C ATOM 282 OG1 THR A 20 8.464 1.187 -5.310 1.00 25.32 O ATOM 283 CG2 THR A 20 10.031 -0.473 -4.521 1.00 73.44 C ATOM 0 H THR A 20 6.914 -0.085 -7.140 1.00 42.33 H new ATOM 0 HA THR A 20 9.832 -0.441 -7.148 1.00 13.31 H new ATOM 0 HB THR A 20 7.935 -0.758 -4.809 1.00 52.24 H new ATOM 0 HG1 THR A 20 8.609 1.557 -4.414 1.00 25.32 H new ATOM 0 HG21 THR A 20 9.919 -0.102 -3.502 1.00 73.44 H new ATOM 0 HG22 THR A 20 10.236 -1.543 -4.497 1.00 73.44 H new ATOM 0 HG23 THR A 20 10.859 0.044 -5.007 1.00 73.44 H new ATOM 291 N ASN A 21 7.543 -2.747 -6.488 1.00 61.20 N ATOM 292 CA ASN A 21 7.276 -4.182 -6.473 1.00 50.03 C ATOM 293 C ASN A 21 5.913 -4.449 -7.098 1.00 32.55 C ATOM 294 O ASN A 21 4.896 -4.491 -6.405 1.00 51.00 O ATOM 295 CB ASN A 21 7.307 -4.736 -5.041 1.00 74.21 C ATOM 296 CG ASN A 21 8.683 -4.695 -4.401 1.00 53.53 C ATOM 297 OD1 ASN A 21 9.066 -3.705 -3.775 1.00 71.40 O ATOM 298 ND2 ASN A 21 9.433 -5.777 -4.542 1.00 45.30 N ATOM 0 H ASN A 21 6.729 -2.170 -6.275 1.00 61.20 H new ATOM 0 HA ASN A 21 8.054 -4.684 -7.048 1.00 50.03 H new ATOM 0 HB2 ASN A 21 6.612 -4.165 -4.425 1.00 74.21 H new ATOM 0 HB3 ASN A 21 6.951 -5.766 -5.052 1.00 74.21 H new ATOM 0 HD21 ASN A 21 10.363 -5.811 -4.125 1.00 45.30 H new ATOM 0 HD22 ASN A 21 9.081 -6.577 -5.068 1.00 45.30 H new ATOM 305 N TYR A 22 5.891 -4.630 -8.411 1.00 64.44 N ATOM 306 CA TYR A 22 4.631 -4.656 -9.139 1.00 11.25 C ATOM 307 C TYR A 22 4.105 -6.073 -9.366 1.00 22.00 C ATOM 308 O TYR A 22 3.090 -6.257 -10.035 1.00 21.22 O ATOM 309 CB TYR A 22 4.762 -3.918 -10.482 1.00 25.10 C ATOM 310 CG TYR A 22 5.694 -4.565 -11.493 1.00 52.20 C ATOM 311 CD1 TYR A 22 5.303 -5.686 -12.218 1.00 12.13 C ATOM 312 CD2 TYR A 22 6.955 -4.037 -11.739 1.00 21.30 C ATOM 313 CE1 TYR A 22 6.139 -6.261 -13.153 1.00 63.22 C ATOM 314 CE2 TYR A 22 7.800 -4.611 -12.672 1.00 41.35 C ATOM 315 CZ TYR A 22 7.387 -5.722 -13.376 1.00 54.23 C ATOM 316 OH TYR A 22 8.215 -6.289 -14.321 1.00 20.14 O ATOM 0 H TYR A 22 6.722 -4.760 -8.989 1.00 64.44 H new ATOM 0 HA TYR A 22 3.903 -4.141 -8.513 1.00 11.25 H new ATOM 0 HB2 TYR A 22 3.771 -3.833 -10.929 1.00 25.10 H new ATOM 0 HB3 TYR A 22 5.112 -2.904 -10.288 1.00 25.10 H new ATOM 0 HD1 TYR A 22 4.327 -6.114 -12.046 1.00 12.13 H new ATOM 0 HD2 TYR A 22 7.281 -3.164 -11.193 1.00 21.30 H new ATOM 0 HE1 TYR A 22 5.816 -7.130 -13.708 1.00 63.22 H new ATOM 0 HE2 TYR A 22 8.779 -4.190 -12.848 1.00 41.35 H new ATOM 0 HH TYR A 22 9.058 -5.791 -14.358 1.00 20.14 H new ATOM 326 N ARG A 23 4.772 -7.074 -8.814 1.00 32.15 N ATOM 327 CA ARG A 23 4.359 -8.453 -9.053 1.00 13.05 C ATOM 328 C ARG A 23 3.684 -9.055 -7.826 1.00 54.42 C ATOM 329 O ARG A 23 3.277 -10.218 -7.838 1.00 43.41 O ATOM 330 CB ARG A 23 5.555 -9.316 -9.435 1.00 71.31 C ATOM 331 CG ARG A 23 5.195 -10.433 -10.393 1.00 24.13 C ATOM 332 CD ARG A 23 5.898 -11.731 -10.040 1.00 71.21 C ATOM 333 NE ARG A 23 5.281 -12.390 -8.887 1.00 24.20 N ATOM 334 CZ ARG A 23 5.484 -13.665 -8.564 1.00 43.30 C ATOM 335 NH1 ARG A 23 6.308 -14.413 -9.289 1.00 41.03 N ATOM 336 NH2 ARG A 23 4.858 -14.194 -7.519 1.00 64.03 N ATOM 0 H ARG A 23 5.586 -6.965 -8.209 1.00 32.15 H new ATOM 0 HA ARG A 23 3.643 -8.434 -9.875 1.00 13.05 H new ATOM 0 HB2 ARG A 23 6.320 -8.687 -9.890 1.00 71.31 H new ATOM 0 HB3 ARG A 23 5.990 -9.745 -8.532 1.00 71.31 H new ATOM 0 HG2 ARG A 23 4.116 -10.589 -10.379 1.00 24.13 H new ATOM 0 HG3 ARG A 23 5.462 -10.140 -11.408 1.00 24.13 H new ATOM 0 HD2 ARG A 23 5.873 -12.402 -10.898 1.00 71.21 H new ATOM 0 HD3 ARG A 23 6.947 -11.529 -9.824 1.00 71.21 H new ATOM 0 HE ARG A 23 4.658 -11.839 -8.296 1.00 24.20 H new ATOM 0 HH11 ARG A 23 6.786 -14.010 -10.095 1.00 41.03 H new ATOM 0 HH12 ARG A 23 6.462 -15.390 -9.040 1.00 41.03 H new ATOM 0 HH21 ARG A 23 4.221 -13.623 -6.963 1.00 64.03 H new ATOM 0 HH22 ARG A 23 5.014 -15.171 -7.272 1.00 64.03 H new ATOM 350 N ILE A 24 3.579 -8.268 -6.769 1.00 31.41 N ATOM 351 CA ILE A 24 3.060 -8.768 -5.502 1.00 24.21 C ATOM 352 C ILE A 24 1.532 -8.894 -5.521 1.00 41.53 C ATOM 353 O ILE A 24 0.994 -9.974 -5.270 1.00 14.42 O ATOM 354 CB ILE A 24 3.504 -7.876 -4.321 1.00 42.11 C ATOM 355 CG1 ILE A 24 5.033 -7.841 -4.236 1.00 33.24 C ATOM 356 CG2 ILE A 24 2.912 -8.384 -3.012 1.00 31.33 C ATOM 357 CD1 ILE A 24 5.563 -7.029 -3.073 1.00 44.44 C ATOM 0 H ILE A 24 3.844 -7.283 -6.760 1.00 31.41 H new ATOM 0 HA ILE A 24 3.480 -9.764 -5.363 1.00 24.21 H new ATOM 0 HB ILE A 24 3.137 -6.864 -4.492 1.00 42.11 H new ATOM 0 HG12 ILE A 24 5.406 -8.862 -4.154 1.00 33.24 H new ATOM 0 HG13 ILE A 24 5.430 -7.430 -5.164 1.00 33.24 H new ATOM 0 HG21 ILE A 24 3.237 -7.742 -2.193 1.00 31.33 H new ATOM 0 HG22 ILE A 24 1.824 -8.370 -3.075 1.00 31.33 H new ATOM 0 HG23 ILE A 24 3.252 -9.404 -2.831 1.00 31.33 H new ATOM 0 HD11 ILE A 24 6.653 -7.052 -3.080 1.00 44.44 H new ATOM 0 HD12 ILE A 24 5.221 -5.998 -3.163 1.00 44.44 H new ATOM 0 HD13 ILE A 24 5.197 -7.452 -2.137 1.00 44.44 H new ATOM 369 N ILE A 25 0.832 -7.801 -5.825 1.00 31.12 N ATOM 370 CA ILE A 25 -0.633 -7.812 -5.836 1.00 11.21 C ATOM 371 C ILE A 25 -1.142 -6.983 -7.015 1.00 3.51 C ATOM 372 O ILE A 25 -0.346 -6.406 -7.753 1.00 24.03 O ATOM 373 CB ILE A 25 -1.239 -7.257 -4.514 1.00 32.12 C ATOM 374 CG1 ILE A 25 -0.352 -7.607 -3.320 1.00 72.51 C ATOM 375 CG2 ILE A 25 -2.633 -7.823 -4.296 1.00 21.22 C ATOM 376 CD1 ILE A 25 -0.607 -6.748 -2.107 1.00 20.10 C ATOM 0 H ILE A 25 1.251 -6.902 -6.065 1.00 31.12 H new ATOM 0 HA ILE A 25 -0.951 -8.850 -5.934 1.00 11.21 H new ATOM 0 HB ILE A 25 -1.299 -6.172 -4.600 1.00 32.12 H new ATOM 0 HG12 ILE A 25 -0.510 -8.652 -3.055 1.00 72.51 H new ATOM 0 HG13 ILE A 25 0.693 -7.507 -3.613 1.00 72.51 H new ATOM 0 HG21 ILE A 25 -3.045 -7.427 -3.368 1.00 21.22 H new ATOM 0 HG22 ILE A 25 -3.276 -7.539 -5.129 1.00 21.22 H new ATOM 0 HG23 ILE A 25 -2.579 -8.910 -4.234 1.00 21.22 H new ATOM 0 HD11 ILE A 25 0.058 -7.053 -1.299 1.00 20.10 H new ATOM 0 HD12 ILE A 25 -0.421 -5.703 -2.355 1.00 20.10 H new ATOM 0 HD13 ILE A 25 -1.643 -6.866 -1.789 1.00 20.10 H new ATOM 388 N GLY A 26 -2.458 -6.919 -7.182 1.00 50.15 N ATOM 389 CA GLY A 26 -3.033 -6.197 -8.298 1.00 0.15 C ATOM 390 C GLY A 26 -4.048 -5.163 -7.859 1.00 1.12 C ATOM 391 O GLY A 26 -3.716 -4.230 -7.125 1.00 71.05 O ATOM 0 H GLY A 26 -3.138 -7.357 -6.561 1.00 50.15 H new ATOM 0 HA2 GLY A 26 -2.237 -5.705 -8.857 1.00 0.15 H new ATOM 0 HA3 GLY A 26 -3.510 -6.904 -8.977 1.00 0.15 H new ATOM 395 N ALA A 27 -5.291 -5.329 -8.291 1.00 10.14 N ATOM 396 CA ALA A 27 -6.326 -4.349 -8.002 1.00 62.14 C ATOM 397 C ALA A 27 -7.655 -5.009 -7.662 1.00 61.23 C ATOM 398 O ALA A 27 -8.343 -5.538 -8.536 1.00 15.22 O ATOM 399 CB ALA A 27 -6.500 -3.406 -9.181 1.00 21.24 C ATOM 0 H ALA A 27 -5.605 -6.129 -8.840 1.00 10.14 H new ATOM 0 HA ALA A 27 -6.005 -3.782 -7.128 1.00 62.14 H new ATOM 0 HB1 ALA A 27 -7.278 -2.677 -8.952 1.00 21.24 H new ATOM 0 HB2 ALA A 27 -5.561 -2.887 -9.373 1.00 21.24 H new ATOM 0 HB3 ALA A 27 -6.786 -3.977 -10.064 1.00 21.24 H new ATOM 405 N LEU A 28 -8.000 -4.987 -6.384 1.00 2.30 N ATOM 406 CA LEU A 28 -9.307 -5.445 -5.929 1.00 62.53 C ATOM 407 C LEU A 28 -9.723 -4.729 -4.636 1.00 31.35 C ATOM 408 O LEU A 28 -10.008 -5.363 -3.623 1.00 64.45 O ATOM 409 CB LEU A 28 -9.308 -6.976 -5.746 1.00 51.22 C ATOM 410 CG LEU A 28 -7.982 -7.611 -5.291 1.00 31.21 C ATOM 411 CD1 LEU A 28 -7.642 -7.228 -3.858 1.00 60.03 C ATOM 412 CD2 LEU A 28 -8.043 -9.125 -5.438 1.00 34.45 C ATOM 0 H LEU A 28 -7.389 -4.655 -5.638 1.00 2.30 H new ATOM 0 HA LEU A 28 -10.043 -5.195 -6.693 1.00 62.53 H new ATOM 0 HB2 LEU A 28 -10.077 -7.233 -5.018 1.00 51.22 H new ATOM 0 HB3 LEU A 28 -9.599 -7.433 -6.692 1.00 51.22 H new ATOM 0 HG LEU A 28 -7.190 -7.225 -5.933 1.00 31.21 H new ATOM 0 HD11 LEU A 28 -6.700 -7.694 -3.571 1.00 60.03 H new ATOM 0 HD12 LEU A 28 -7.548 -6.145 -3.783 1.00 60.03 H new ATOM 0 HD13 LEU A 28 -8.434 -7.570 -3.192 1.00 60.03 H new ATOM 0 HD21 LEU A 28 -7.098 -9.561 -5.112 1.00 34.45 H new ATOM 0 HD22 LEU A 28 -8.854 -9.518 -4.825 1.00 34.45 H new ATOM 0 HD23 LEU A 28 -8.220 -9.382 -6.482 1.00 34.45 H new ATOM 424 N PRO A 29 -9.790 -3.385 -4.657 1.00 64.22 N ATOM 425 CA PRO A 29 -10.145 -2.588 -3.495 1.00 1.13 C ATOM 426 C PRO A 29 -11.629 -2.229 -3.474 1.00 44.52 C ATOM 427 O PRO A 29 -12.323 -2.391 -4.480 1.00 42.51 O ATOM 428 CB PRO A 29 -9.290 -1.327 -3.687 1.00 60.45 C ATOM 429 CG PRO A 29 -8.867 -1.324 -5.134 1.00 35.24 C ATOM 430 CD PRO A 29 -9.519 -2.512 -5.796 1.00 41.22 C ATOM 0 HA PRO A 29 -9.969 -3.112 -2.555 1.00 1.13 H new ATOM 0 HB2 PRO A 29 -9.860 -0.430 -3.446 1.00 60.45 H new ATOM 0 HB3 PRO A 29 -8.422 -1.341 -3.027 1.00 60.45 H new ATOM 0 HG2 PRO A 29 -9.172 -0.398 -5.621 1.00 35.24 H new ATOM 0 HG3 PRO A 29 -7.782 -1.386 -5.217 1.00 35.24 H new ATOM 0 HD2 PRO A 29 -10.432 -2.235 -6.324 1.00 41.22 H new ATOM 0 HD3 PRO A 29 -8.861 -2.985 -6.525 1.00 41.22 H new ATOM 438 N GLN A 30 -12.099 -1.751 -2.322 1.00 72.10 N ATOM 439 CA GLN A 30 -13.489 -1.311 -2.150 1.00 3.11 C ATOM 440 C GLN A 30 -14.468 -2.471 -2.337 1.00 21.55 C ATOM 441 O GLN A 30 -14.739 -2.909 -3.458 1.00 73.12 O ATOM 442 CB GLN A 30 -13.830 -0.171 -3.117 1.00 31.12 C ATOM 443 CG GLN A 30 -15.193 0.456 -2.870 1.00 21.55 C ATOM 444 CD GLN A 30 -15.288 1.122 -1.513 1.00 12.11 C ATOM 445 OE1 GLN A 30 -15.678 0.498 -0.525 1.00 30.53 O ATOM 446 NE2 GLN A 30 -14.923 2.392 -1.453 1.00 44.11 N ATOM 0 H GLN A 30 -11.530 -1.657 -1.481 1.00 72.10 H new ATOM 0 HA GLN A 30 -13.588 -0.942 -1.129 1.00 3.11 H new ATOM 0 HB2 GLN A 30 -13.065 0.602 -3.037 1.00 31.12 H new ATOM 0 HB3 GLN A 30 -13.795 -0.550 -4.138 1.00 31.12 H new ATOM 0 HG2 GLN A 30 -15.397 1.192 -3.647 1.00 21.55 H new ATOM 0 HG3 GLN A 30 -15.962 -0.312 -2.949 1.00 21.55 H new ATOM 0 HE21 GLN A 30 -14.606 2.872 -2.295 1.00 44.11 H new ATOM 0 HE22 GLN A 30 -14.959 2.891 -0.564 1.00 44.11 H new ATOM 455 N GLY A 31 -14.991 -2.964 -1.229 1.00 72.43 N ATOM 456 CA GLY A 31 -15.912 -4.080 -1.272 1.00 13.24 C ATOM 457 C GLY A 31 -15.248 -5.361 -0.819 1.00 41.52 C ATOM 458 O GLY A 31 -15.884 -6.230 -0.224 1.00 62.00 O ATOM 0 H GLY A 31 -14.794 -2.610 -0.293 1.00 72.43 H new ATOM 0 HA2 GLY A 31 -16.771 -3.869 -0.636 1.00 13.24 H new ATOM 0 HA3 GLY A 31 -16.290 -4.203 -2.287 1.00 13.24 H new ATOM 462 N GLN A 32 -13.959 -5.472 -1.102 1.00 24.15 N ATOM 463 CA GLN A 32 -13.175 -6.622 -0.684 1.00 42.23 C ATOM 464 C GLN A 32 -12.441 -6.309 0.615 1.00 52.53 C ATOM 465 O GLN A 32 -12.662 -5.261 1.226 1.00 42.00 O ATOM 466 CB GLN A 32 -12.171 -7.035 -1.771 1.00 10.13 C ATOM 467 CG GLN A 32 -12.812 -7.554 -3.057 1.00 41.44 C ATOM 468 CD GLN A 32 -13.428 -6.457 -3.907 1.00 32.03 C ATOM 469 OE1 GLN A 32 -12.809 -5.292 -3.907 1.00 64.52 O flip ATOM 470 NE2 GLN A 32 -14.429 -6.670 -4.588 1.00 55.04 N flip ATOM 0 H GLN A 32 -13.431 -4.773 -1.624 1.00 24.15 H new ATOM 0 HA GLN A 32 -13.857 -7.456 -0.520 1.00 42.23 H new ATOM 0 HB2 GLN A 32 -11.543 -6.178 -2.013 1.00 10.13 H new ATOM 0 HB3 GLN A 32 -11.516 -7.807 -1.369 1.00 10.13 H new ATOM 0 HG2 GLN A 32 -12.058 -8.079 -3.644 1.00 41.44 H new ATOM 0 HG3 GLN A 32 -13.582 -8.282 -2.803 1.00 41.44 H new ATOM 0 HE21 GLN A 32 -14.879 -7.585 -4.561 1.00 55.04 H new ATOM 0 HE22 GLN A 32 -14.809 -5.932 -5.181 1.00 55.04 H new ATOM 479 N LYS A 33 -11.574 -7.216 1.028 1.00 5.30 N ATOM 480 CA LYS A 33 -10.828 -7.055 2.267 1.00 71.13 C ATOM 481 C LYS A 33 -9.559 -6.237 2.020 1.00 32.03 C ATOM 482 O LYS A 33 -9.077 -6.172 0.889 1.00 24.54 O ATOM 483 CB LYS A 33 -10.482 -8.438 2.838 1.00 51.54 C ATOM 484 CG LYS A 33 -9.833 -8.410 4.215 1.00 71.44 C ATOM 485 CD LYS A 33 -9.667 -9.813 4.781 1.00 71.02 C ATOM 486 CE LYS A 33 -8.720 -10.653 3.940 1.00 34.20 C ATOM 487 NZ LYS A 33 -8.661 -12.056 4.418 1.00 72.45 N ATOM 0 H LYS A 33 -11.367 -8.077 0.522 1.00 5.30 H new ATOM 0 HA LYS A 33 -11.440 -6.517 2.991 1.00 71.13 H new ATOM 0 HB2 LYS A 33 -11.394 -9.033 2.892 1.00 51.54 H new ATOM 0 HB3 LYS A 33 -9.811 -8.946 2.145 1.00 51.54 H new ATOM 0 HG2 LYS A 33 -8.859 -7.925 4.150 1.00 71.44 H new ATOM 0 HG3 LYS A 33 -10.442 -7.812 4.893 1.00 71.44 H new ATOM 0 HD2 LYS A 33 -9.289 -9.751 5.801 1.00 71.02 H new ATOM 0 HD3 LYS A 33 -10.640 -10.302 4.831 1.00 71.02 H new ATOM 0 HE2 LYS A 33 -9.045 -10.636 2.900 1.00 34.20 H new ATOM 0 HE3 LYS A 33 -7.722 -10.216 3.970 1.00 34.20 H new ATOM 0 HZ1 LYS A 33 -7.706 -12.436 4.261 1.00 72.45 H new ATOM 0 HZ2 LYS A 33 -8.883 -12.086 5.434 1.00 72.45 H new ATOM 0 HZ3 LYS A 33 -9.353 -12.630 3.895 1.00 72.45 H new ATOM 501 N VAL A 34 -9.034 -5.627 3.086 1.00 14.13 N ATOM 502 CA VAL A 34 -7.809 -4.824 3.026 1.00 53.23 C ATOM 503 C VAL A 34 -8.053 -3.449 2.398 1.00 64.11 C ATOM 504 O VAL A 34 -8.587 -3.327 1.295 1.00 61.22 O ATOM 505 CB VAL A 34 -6.670 -5.549 2.267 1.00 62.43 C ATOM 506 CG1 VAL A 34 -5.437 -4.662 2.153 1.00 3.11 C ATOM 507 CG2 VAL A 34 -6.320 -6.860 2.955 1.00 72.44 C ATOM 0 H VAL A 34 -9.447 -5.676 4.017 1.00 14.13 H new ATOM 0 HA VAL A 34 -7.496 -4.682 4.061 1.00 53.23 H new ATOM 0 HB VAL A 34 -7.023 -5.768 1.259 1.00 62.43 H new ATOM 0 HG11 VAL A 34 -4.653 -5.196 1.616 1.00 3.11 H new ATOM 0 HG12 VAL A 34 -5.693 -3.751 1.611 1.00 3.11 H new ATOM 0 HG13 VAL A 34 -5.082 -4.403 3.150 1.00 3.11 H new ATOM 0 HG21 VAL A 34 -5.518 -7.355 2.408 1.00 72.44 H new ATOM 0 HG22 VAL A 34 -5.993 -6.660 3.975 1.00 72.44 H new ATOM 0 HG23 VAL A 34 -7.198 -7.506 2.976 1.00 72.44 H new ATOM 517 N GLN A 35 -7.656 -2.413 3.128 1.00 64.35 N ATOM 518 CA GLN A 35 -7.769 -1.041 2.657 1.00 44.23 C ATOM 519 C GLN A 35 -6.504 -0.268 3.008 1.00 31.41 C ATOM 520 O GLN A 35 -5.614 -0.796 3.677 1.00 34.44 O ATOM 521 CB GLN A 35 -8.982 -0.354 3.290 1.00 32.43 C ATOM 522 CG GLN A 35 -8.887 -0.216 4.804 1.00 41.14 C ATOM 523 CD GLN A 35 -10.021 0.602 5.389 1.00 63.12 C ATOM 524 OE1 GLN A 35 -11.132 0.614 4.861 1.00 61.25 O ATOM 525 NE2 GLN A 35 -9.746 1.289 6.487 1.00 62.31 N ATOM 0 H GLN A 35 -7.249 -2.501 4.059 1.00 64.35 H new ATOM 0 HA GLN A 35 -7.898 -1.056 1.575 1.00 44.23 H new ATOM 0 HB2 GLN A 35 -9.098 0.637 2.850 1.00 32.43 H new ATOM 0 HB3 GLN A 35 -9.880 -0.920 3.041 1.00 32.43 H new ATOM 0 HG2 GLN A 35 -8.889 -1.208 5.256 1.00 41.14 H new ATOM 0 HG3 GLN A 35 -7.937 0.250 5.063 1.00 41.14 H new ATOM 0 HE21 GLN A 35 -8.811 1.251 6.892 1.00 62.31 H new ATOM 0 HE22 GLN A 35 -10.470 1.857 6.928 1.00 62.31 H new ATOM 534 N VAL A 36 -6.426 0.976 2.557 1.00 1.44 N ATOM 535 CA VAL A 36 -5.309 1.838 2.909 1.00 24.33 C ATOM 536 C VAL A 36 -5.470 2.341 4.342 1.00 54.41 C ATOM 537 O VAL A 36 -6.508 2.897 4.704 1.00 11.11 O ATOM 538 CB VAL A 36 -5.174 3.038 1.937 1.00 55.21 C ATOM 539 CG1 VAL A 36 -4.739 2.563 0.559 1.00 1.04 C ATOM 540 CG2 VAL A 36 -6.481 3.816 1.835 1.00 54.45 C ATOM 0 H VAL A 36 -7.121 1.409 1.949 1.00 1.44 H new ATOM 0 HA VAL A 36 -4.397 1.246 2.829 1.00 24.33 H new ATOM 0 HB VAL A 36 -4.411 3.705 2.338 1.00 55.21 H new ATOM 0 HG11 VAL A 36 -4.650 3.419 -0.110 1.00 1.04 H new ATOM 0 HG12 VAL A 36 -3.775 2.060 0.635 1.00 1.04 H new ATOM 0 HG13 VAL A 36 -5.480 1.869 0.163 1.00 1.04 H new ATOM 0 HG21 VAL A 36 -6.354 4.651 1.146 1.00 54.45 H new ATOM 0 HG22 VAL A 36 -7.268 3.158 1.467 1.00 54.45 H new ATOM 0 HG23 VAL A 36 -6.756 4.196 2.819 1.00 54.45 H new ATOM 550 N ILE A 37 -4.453 2.124 5.161 1.00 41.25 N ATOM 551 CA ILE A 37 -4.518 2.519 6.560 1.00 5.32 C ATOM 552 C ILE A 37 -4.197 4.001 6.712 1.00 33.23 C ATOM 553 O ILE A 37 -5.005 4.768 7.243 1.00 31.31 O ATOM 554 CB ILE A 37 -3.552 1.686 7.432 1.00 1.12 C ATOM 555 CG1 ILE A 37 -3.837 0.191 7.259 1.00 44.10 C ATOM 556 CG2 ILE A 37 -3.672 2.084 8.898 1.00 51.21 C ATOM 557 CD1 ILE A 37 -2.589 -0.656 7.135 1.00 15.20 C ATOM 0 H ILE A 37 -3.578 1.679 4.884 1.00 41.25 H new ATOM 0 HA ILE A 37 -5.535 2.332 6.904 1.00 5.32 H new ATOM 0 HB ILE A 37 -2.532 1.887 7.106 1.00 1.12 H new ATOM 0 HG12 ILE A 37 -4.420 -0.160 8.111 1.00 44.10 H new ATOM 0 HG13 ILE A 37 -4.452 0.048 6.371 1.00 44.10 H new ATOM 0 HG21 ILE A 37 -2.984 1.486 9.495 1.00 51.21 H new ATOM 0 HG22 ILE A 37 -3.426 3.140 9.010 1.00 51.21 H new ATOM 0 HG23 ILE A 37 -4.693 1.911 9.240 1.00 51.21 H new ATOM 0 HD11 ILE A 37 -2.870 -1.702 7.015 1.00 15.20 H new ATOM 0 HD12 ILE A 37 -2.015 -0.333 6.267 1.00 15.20 H new ATOM 0 HD13 ILE A 37 -1.982 -0.544 8.033 1.00 15.20 H new ATOM 569 N SER A 38 -3.031 4.400 6.216 1.00 3.42 N ATOM 570 CA SER A 38 -2.593 5.785 6.295 1.00 2.32 C ATOM 571 C SER A 38 -1.339 6.005 5.466 1.00 31.15 C ATOM 572 O SER A 38 -0.547 5.085 5.261 1.00 5.13 O ATOM 573 CB SER A 38 -2.350 6.188 7.756 1.00 2.43 C ATOM 574 OG SER A 38 -1.681 5.160 8.472 1.00 5.33 O ATOM 0 H SER A 38 -2.369 3.777 5.752 1.00 3.42 H new ATOM 0 HA SER A 38 -3.383 6.416 5.888 1.00 2.32 H new ATOM 0 HB2 SER A 38 -1.757 7.102 7.789 1.00 2.43 H new ATOM 0 HB3 SER A 38 -3.303 6.408 8.238 1.00 2.43 H new ATOM 0 HG SER A 38 -1.539 5.446 9.398 1.00 5.33 H new ATOM 580 N GLU A 39 -1.189 7.219 4.971 1.00 53.01 N ATOM 581 CA GLU A 39 -0.043 7.595 4.168 1.00 54.11 C ATOM 582 C GLU A 39 1.156 7.893 5.067 1.00 33.45 C ATOM 583 O GLU A 39 1.039 8.630 6.050 1.00 73.05 O ATOM 584 CB GLU A 39 -0.375 8.825 3.313 1.00 23.45 C ATOM 585 CG GLU A 39 -1.715 8.746 2.586 1.00 62.01 C ATOM 586 CD GLU A 39 -2.863 9.329 3.394 1.00 22.33 C ATOM 587 OE1 GLU A 39 -3.275 8.707 4.398 1.00 33.34 O ATOM 588 OE2 GLU A 39 -3.368 10.413 3.025 1.00 65.21 O ATOM 0 H GLU A 39 -1.860 7.973 5.115 1.00 53.01 H new ATOM 0 HA GLU A 39 0.208 6.764 3.508 1.00 54.11 H new ATOM 0 HB2 GLU A 39 -0.374 9.708 3.953 1.00 23.45 H new ATOM 0 HB3 GLU A 39 0.416 8.964 2.576 1.00 23.45 H new ATOM 0 HG2 GLU A 39 -1.639 9.277 1.637 1.00 62.01 H new ATOM 0 HG3 GLU A 39 -1.935 7.704 2.352 1.00 62.01 H new ATOM 595 N ASN A 40 2.303 7.318 4.738 1.00 12.41 N ATOM 596 CA ASN A 40 3.508 7.521 5.529 1.00 62.51 C ATOM 597 C ASN A 40 4.706 7.797 4.634 1.00 45.12 C ATOM 598 O ASN A 40 5.116 6.938 3.852 1.00 33.54 O ATOM 599 CB ASN A 40 3.795 6.300 6.410 1.00 53.00 C ATOM 600 CG ASN A 40 5.000 6.507 7.315 1.00 44.34 C ATOM 601 OD1 ASN A 40 5.282 7.625 7.748 1.00 74.34 O ATOM 602 ND2 ASN A 40 5.716 5.433 7.614 1.00 64.42 N ATOM 0 H ASN A 40 2.425 6.708 3.930 1.00 12.41 H new ATOM 0 HA ASN A 40 3.339 8.387 6.169 1.00 62.51 H new ATOM 0 HB2 ASN A 40 2.919 6.082 7.021 1.00 53.00 H new ATOM 0 HB3 ASN A 40 3.966 5.430 5.776 1.00 53.00 H new ATOM 0 HD21 ASN A 40 6.531 5.516 8.222 1.00 64.42 H new ATOM 0 HD22 ASN A 40 5.452 4.523 7.237 1.00 64.42 H new ATOM 609 N SER A 41 5.237 9.014 4.747 1.00 13.51 N ATOM 610 CA SER A 41 6.458 9.418 4.054 1.00 15.43 C ATOM 611 C SER A 41 6.227 9.591 2.550 1.00 64.31 C ATOM 612 O SER A 41 7.167 9.850 1.796 1.00 2.14 O ATOM 613 CB SER A 41 7.579 8.404 4.326 1.00 52.11 C ATOM 614 OG SER A 41 8.810 8.812 3.750 1.00 73.44 O ATOM 0 H SER A 41 4.830 9.750 5.324 1.00 13.51 H new ATOM 0 HA SER A 41 6.761 10.390 4.444 1.00 15.43 H new ATOM 0 HB2 SER A 41 7.704 8.281 5.402 1.00 52.11 H new ATOM 0 HB3 SER A 41 7.295 7.431 3.925 1.00 52.11 H new ATOM 0 HG SER A 41 8.637 9.288 2.911 1.00 73.44 H new ATOM 620 N GLY A 42 4.977 9.470 2.119 1.00 34.10 N ATOM 621 CA GLY A 42 4.658 9.628 0.713 1.00 61.21 C ATOM 622 C GLY A 42 3.830 8.474 0.190 1.00 12.21 C ATOM 623 O GLY A 42 2.801 8.676 -0.461 1.00 64.22 O ATOM 0 H GLY A 42 4.178 9.265 2.719 1.00 34.10 H new ATOM 0 HA2 GLY A 42 4.114 10.561 0.567 1.00 61.21 H new ATOM 0 HA3 GLY A 42 5.581 9.703 0.137 1.00 61.21 H new ATOM 627 N TRP A 43 4.277 7.262 0.482 1.00 54.04 N ATOM 628 CA TRP A 43 3.542 6.062 0.107 1.00 22.02 C ATOM 629 C TRP A 43 2.482 5.742 1.154 1.00 32.15 C ATOM 630 O TRP A 43 2.546 6.219 2.285 1.00 50.41 O ATOM 631 CB TRP A 43 4.486 4.868 -0.057 1.00 73.52 C ATOM 632 CG TRP A 43 5.360 4.931 -1.274 1.00 43.41 C ATOM 633 CD1 TRP A 43 5.210 5.740 -2.366 1.00 32.10 C ATOM 634 CD2 TRP A 43 6.517 4.131 -1.526 1.00 42.32 C ATOM 635 NE1 TRP A 43 6.207 5.487 -3.280 1.00 41.22 N ATOM 636 CE2 TRP A 43 7.024 4.503 -2.783 1.00 21.15 C ATOM 637 CE3 TRP A 43 7.172 3.139 -0.804 1.00 2.23 C ATOM 638 CZ2 TRP A 43 8.161 3.910 -3.333 1.00 14.54 C ATOM 639 CZ3 TRP A 43 8.298 2.550 -1.347 1.00 70.10 C ATOM 640 CH2 TRP A 43 8.783 2.938 -2.600 1.00 63.42 C ATOM 0 H TRP A 43 5.149 7.082 0.980 1.00 54.04 H new ATOM 0 HA TRP A 43 3.056 6.252 -0.850 1.00 22.02 H new ATOM 0 HB2 TRP A 43 5.120 4.797 0.827 1.00 73.52 H new ATOM 0 HB3 TRP A 43 3.893 3.954 -0.098 1.00 73.52 H new ATOM 0 HD1 TRP A 43 4.424 6.470 -2.493 1.00 32.10 H new ATOM 0 HE1 TRP A 43 6.320 5.954 -4.180 1.00 41.22 H new ATOM 0 HE3 TRP A 43 6.807 2.834 0.165 1.00 2.23 H new ATOM 0 HZ2 TRP A 43 8.536 4.208 -4.301 1.00 14.54 H new ATOM 0 HZ3 TRP A 43 8.812 1.777 -0.795 1.00 70.10 H new ATOM 0 HH2 TRP A 43 9.667 2.460 -2.997 1.00 63.42 H new ATOM 651 N SER A 44 1.502 4.947 0.768 1.00 13.51 N ATOM 652 CA SER A 44 0.424 4.577 1.669 1.00 54.43 C ATOM 653 C SER A 44 0.703 3.227 2.320 1.00 62.44 C ATOM 654 O SER A 44 1.218 2.309 1.678 1.00 74.42 O ATOM 655 CB SER A 44 -0.908 4.537 0.918 1.00 22.52 C ATOM 656 OG SER A 44 -1.244 5.811 0.392 1.00 42.21 O ATOM 0 H SER A 44 1.429 4.543 -0.166 1.00 13.51 H new ATOM 0 HA SER A 44 0.362 5.331 2.454 1.00 54.43 H new ATOM 0 HB2 SER A 44 -0.849 3.811 0.107 1.00 22.52 H new ATOM 0 HB3 SER A 44 -1.697 4.200 1.591 1.00 22.52 H new ATOM 0 HG SER A 44 -0.441 6.235 0.025 1.00 42.21 H new ATOM 662 N LYS A 45 0.375 3.128 3.602 1.00 41.14 N ATOM 663 CA LYS A 45 0.544 1.906 4.359 1.00 52.41 C ATOM 664 C LYS A 45 -0.627 0.959 4.138 1.00 63.52 C ATOM 665 O LYS A 45 -1.773 1.295 4.443 1.00 34.33 O ATOM 666 CB LYS A 45 0.641 2.253 5.842 1.00 21.30 C ATOM 667 CG LYS A 45 2.031 2.651 6.298 1.00 11.41 C ATOM 668 CD LYS A 45 2.930 1.441 6.480 1.00 11.32 C ATOM 669 CE LYS A 45 2.345 0.468 7.485 1.00 3.21 C ATOM 670 NZ LYS A 45 3.343 -0.538 7.932 1.00 64.03 N ATOM 0 H LYS A 45 -0.017 3.899 4.143 1.00 41.14 H new ATOM 0 HA LYS A 45 1.454 1.409 4.023 1.00 52.41 H new ATOM 0 HB2 LYS A 45 -0.048 3.070 6.058 1.00 21.30 H new ATOM 0 HB3 LYS A 45 0.311 1.394 6.427 1.00 21.30 H new ATOM 0 HG2 LYS A 45 2.474 3.327 5.567 1.00 11.41 H new ATOM 0 HG3 LYS A 45 1.963 3.198 7.238 1.00 11.41 H new ATOM 0 HD2 LYS A 45 3.067 0.939 5.522 1.00 11.32 H new ATOM 0 HD3 LYS A 45 3.916 1.764 6.815 1.00 11.32 H new ATOM 0 HE2 LYS A 45 1.974 1.019 8.349 1.00 3.21 H new ATOM 0 HE3 LYS A 45 1.490 -0.042 7.041 1.00 3.21 H new ATOM 0 HZ1 LYS A 45 2.902 -1.183 8.618 1.00 64.03 H new ATOM 0 HZ2 LYS A 45 3.679 -1.082 7.112 1.00 64.03 H new ATOM 0 HZ3 LYS A 45 4.147 -0.054 8.380 1.00 64.03 H new ATOM 684 N ILE A 46 -0.339 -0.216 3.598 1.00 2.14 N ATOM 685 CA ILE A 46 -1.344 -1.259 3.457 1.00 52.53 C ATOM 686 C ILE A 46 -0.784 -2.596 3.922 1.00 4.04 C ATOM 687 O ILE A 46 0.407 -2.877 3.761 1.00 1.14 O ATOM 688 CB ILE A 46 -1.880 -1.416 2.006 1.00 41.40 C ATOM 689 CG1 ILE A 46 -0.778 -1.835 1.020 1.00 60.01 C ATOM 690 CG2 ILE A 46 -2.552 -0.134 1.541 1.00 64.22 C ATOM 691 CD1 ILE A 46 0.185 -0.732 0.636 1.00 1.11 C ATOM 0 H ILE A 46 0.585 -0.471 3.249 1.00 2.14 H new ATOM 0 HA ILE A 46 -2.183 -0.950 4.081 1.00 52.53 H new ATOM 0 HB ILE A 46 -2.619 -2.217 2.023 1.00 41.40 H new ATOM 0 HG12 ILE A 46 -0.211 -2.656 1.458 1.00 60.01 H new ATOM 0 HG13 ILE A 46 -1.247 -2.219 0.115 1.00 60.01 H new ATOM 0 HG21 ILE A 46 -2.920 -0.265 0.523 1.00 64.22 H new ATOM 0 HG22 ILE A 46 -3.387 0.100 2.202 1.00 64.22 H new ATOM 0 HG23 ILE A 46 -1.831 0.684 1.564 1.00 64.22 H new ATOM 0 HD11 ILE A 46 0.926 -1.122 -0.062 1.00 1.11 H new ATOM 0 HD12 ILE A 46 -0.364 0.083 0.164 1.00 1.11 H new ATOM 0 HD13 ILE A 46 0.688 -0.361 1.529 1.00 1.11 H new ATOM 703 N ASN A 47 -1.639 -3.399 4.528 1.00 64.43 N ATOM 704 CA ASN A 47 -1.277 -4.751 4.915 1.00 2.54 C ATOM 705 C ASN A 47 -2.243 -5.705 4.241 1.00 30.40 C ATOM 706 O ASN A 47 -3.437 -5.706 4.542 1.00 61.23 O ATOM 707 CB ASN A 47 -1.333 -4.906 6.438 1.00 42.14 C ATOM 708 CG ASN A 47 -0.715 -6.204 6.927 1.00 25.14 C ATOM 709 OD1 ASN A 47 -0.757 -7.232 6.250 1.00 30.22 O ATOM 710 ND2 ASN A 47 -0.129 -6.159 8.112 1.00 64.22 N ATOM 0 H ASN A 47 -2.596 -3.136 4.764 1.00 64.43 H new ATOM 0 HA ASN A 47 -0.257 -4.973 4.602 1.00 2.54 H new ATOM 0 HB2 ASN A 47 -0.815 -4.066 6.902 1.00 42.14 H new ATOM 0 HB3 ASN A 47 -2.372 -4.860 6.764 1.00 42.14 H new ATOM 0 HD21 ASN A 47 0.310 -6.996 8.496 1.00 64.22 H new ATOM 0 HD22 ASN A 47 -0.116 -5.287 8.642 1.00 64.22 H new ATOM 717 N TYR A 48 -1.728 -6.504 3.328 1.00 12.11 N ATOM 718 CA TYR A 48 -2.573 -7.310 2.470 1.00 63.41 C ATOM 719 C TYR A 48 -2.538 -8.770 2.891 1.00 4.30 C ATOM 720 O TYR A 48 -1.739 -9.547 2.391 1.00 61.40 O ATOM 721 CB TYR A 48 -2.128 -7.158 1.012 1.00 42.32 C ATOM 722 CG TYR A 48 -3.031 -7.835 0.000 1.00 74.45 C ATOM 723 CD1 TYR A 48 -4.202 -7.226 -0.431 1.00 74.34 C ATOM 724 CD2 TYR A 48 -2.705 -9.076 -0.535 1.00 13.31 C ATOM 725 CE1 TYR A 48 -5.022 -7.832 -1.362 1.00 12.45 C ATOM 726 CE2 TYR A 48 -3.519 -9.688 -1.468 1.00 54.33 C ATOM 727 CZ TYR A 48 -4.678 -9.061 -1.877 1.00 72.00 C ATOM 728 OH TYR A 48 -5.490 -9.661 -2.811 1.00 23.42 O ATOM 0 H TYR A 48 -0.728 -6.612 3.161 1.00 12.11 H new ATOM 0 HA TYR A 48 -3.601 -6.960 2.565 1.00 63.41 H new ATOM 0 HB2 TYR A 48 -2.069 -6.096 0.773 1.00 42.32 H new ATOM 0 HB3 TYR A 48 -1.122 -7.564 0.909 1.00 42.32 H new ATOM 0 HD1 TYR A 48 -4.476 -6.261 -0.031 1.00 74.34 H new ATOM 0 HD2 TYR A 48 -1.799 -9.570 -0.215 1.00 13.31 H new ATOM 0 HE1 TYR A 48 -5.930 -7.344 -1.685 1.00 12.45 H new ATOM 0 HE2 TYR A 48 -3.250 -10.652 -1.875 1.00 54.33 H new ATOM 0 HH TYR A 48 -5.105 -10.523 -3.074 1.00 23.42 H new ATOM 738 N ASN A 49 -3.390 -9.125 3.839 1.00 74.41 N ATOM 739 CA ASN A 49 -3.546 -10.519 4.254 1.00 4.43 C ATOM 740 C ASN A 49 -2.236 -11.064 4.839 1.00 24.44 C ATOM 741 O ASN A 49 -1.790 -12.159 4.495 1.00 34.52 O ATOM 742 CB ASN A 49 -4.005 -11.380 3.061 1.00 31.04 C ATOM 743 CG ASN A 49 -4.675 -12.676 3.484 1.00 63.13 C ATOM 744 OD1 ASN A 49 -5.865 -12.695 3.809 1.00 12.14 O ATOM 745 ND2 ASN A 49 -3.932 -13.772 3.447 1.00 14.11 N ATOM 0 H ASN A 49 -3.988 -8.468 4.340 1.00 74.41 H new ATOM 0 HA ASN A 49 -4.308 -10.564 5.032 1.00 4.43 H new ATOM 0 HB2 ASN A 49 -4.698 -10.803 2.449 1.00 31.04 H new ATOM 0 HB3 ASN A 49 -3.143 -11.611 2.435 1.00 31.04 H new ATOM 0 HD21 ASN A 49 -4.341 -14.674 3.693 1.00 14.11 H new ATOM 0 HD22 ASN A 49 -2.951 -13.714 3.173 1.00 14.11 H new ATOM 752 N GLY A 50 -1.618 -10.284 5.716 1.00 45.14 N ATOM 753 CA GLY A 50 -0.436 -10.749 6.420 1.00 54.24 C ATOM 754 C GLY A 50 0.865 -10.344 5.752 1.00 15.45 C ATOM 755 O GLY A 50 1.926 -10.386 6.381 1.00 73.32 O ATOM 0 H GLY A 50 -1.913 -9.337 5.953 1.00 45.14 H new ATOM 0 HA2 GLY A 50 -0.451 -10.357 7.437 1.00 54.24 H new ATOM 0 HA3 GLY A 50 -0.473 -11.836 6.497 1.00 54.24 H new ATOM 759 N GLN A 51 0.804 -9.959 4.484 1.00 24.33 N ATOM 760 CA GLN A 51 1.991 -9.475 3.791 1.00 52.15 C ATOM 761 C GLN A 51 1.949 -7.958 3.672 1.00 40.22 C ATOM 762 O GLN A 51 0.961 -7.376 3.213 1.00 32.11 O ATOM 763 CB GLN A 51 2.157 -10.144 2.420 1.00 23.50 C ATOM 764 CG GLN A 51 0.886 -10.176 1.592 1.00 52.33 C ATOM 765 CD GLN A 51 0.979 -11.067 0.372 1.00 51.23 C ATOM 766 OE1 GLN A 51 0.686 -12.262 0.431 1.00 71.03 O ATOM 767 NE2 GLN A 51 1.359 -10.487 -0.751 1.00 74.10 N ATOM 0 H GLN A 51 -0.045 -9.972 3.919 1.00 24.33 H new ATOM 0 HA GLN A 51 2.865 -9.747 4.382 1.00 52.15 H new ATOM 0 HB2 GLN A 51 2.930 -9.617 1.861 1.00 23.50 H new ATOM 0 HB3 GLN A 51 2.510 -11.165 2.566 1.00 23.50 H new ATOM 0 HG2 GLN A 51 0.063 -10.518 2.219 1.00 52.33 H new ATOM 0 HG3 GLN A 51 0.644 -9.162 1.273 1.00 52.33 H new ATOM 0 HE21 GLN A 51 1.593 -9.494 -0.758 1.00 74.10 H new ATOM 0 HE22 GLN A 51 1.418 -11.031 -1.612 1.00 74.10 H new ATOM 776 N THR A 52 3.029 -7.331 4.098 1.00 34.25 N ATOM 777 CA THR A 52 3.090 -5.882 4.210 1.00 33.13 C ATOM 778 C THR A 52 3.577 -5.251 2.908 1.00 0.35 C ATOM 779 O THR A 52 4.313 -5.881 2.142 1.00 32.33 O ATOM 780 CB THR A 52 4.034 -5.472 5.357 1.00 30.22 C ATOM 781 OG1 THR A 52 4.061 -6.503 6.357 1.00 40.32 O ATOM 782 CG2 THR A 52 3.572 -4.172 5.992 1.00 24.43 C ATOM 0 H THR A 52 3.887 -7.808 4.376 1.00 34.25 H new ATOM 0 HA THR A 52 2.082 -5.523 4.420 1.00 33.13 H new ATOM 0 HB THR A 52 5.033 -5.330 4.945 1.00 30.22 H new ATOM 0 HG1 THR A 52 4.664 -6.239 7.083 1.00 40.32 H new ATOM 0 HG21 THR A 52 4.252 -3.900 6.800 1.00 24.43 H new ATOM 0 HG22 THR A 52 3.566 -3.382 5.241 1.00 24.43 H new ATOM 0 HG23 THR A 52 2.566 -4.300 6.392 1.00 24.43 H new ATOM 790 N GLY A 53 3.156 -4.016 2.648 1.00 54.01 N ATOM 791 CA GLY A 53 3.595 -3.329 1.452 1.00 11.12 C ATOM 792 C GLY A 53 3.393 -1.827 1.513 1.00 32.12 C ATOM 793 O GLY A 53 2.803 -1.305 2.463 1.00 22.21 O ATOM 0 H GLY A 53 2.522 -3.483 3.243 1.00 54.01 H new ATOM 0 HA2 GLY A 53 4.652 -3.540 1.288 1.00 11.12 H new ATOM 0 HA3 GLY A 53 3.053 -3.727 0.594 1.00 11.12 H new ATOM 797 N TYR A 54 3.899 -1.141 0.495 1.00 72.51 N ATOM 798 CA TYR A 54 3.690 0.293 0.323 1.00 44.44 C ATOM 799 C TYR A 54 3.287 0.572 -1.115 1.00 12.53 C ATOM 800 O TYR A 54 3.770 -0.091 -2.029 1.00 32.23 O ATOM 801 CB TYR A 54 4.962 1.088 0.622 1.00 11.24 C ATOM 802 CG TYR A 54 5.331 1.204 2.082 1.00 22.12 C ATOM 803 CD1 TYR A 54 4.854 2.258 2.851 1.00 41.50 C ATOM 804 CD2 TYR A 54 6.177 0.282 2.684 1.00 0.02 C ATOM 805 CE1 TYR A 54 5.208 2.389 4.178 1.00 41.42 C ATOM 806 CE2 TYR A 54 6.531 0.404 4.014 1.00 44.24 C ATOM 807 CZ TYR A 54 6.047 1.459 4.756 1.00 74.21 C ATOM 808 OH TYR A 54 6.406 1.590 6.081 1.00 64.22 O ATOM 0 H TYR A 54 4.468 -1.565 -0.238 1.00 72.51 H new ATOM 0 HA TYR A 54 2.910 0.600 1.019 1.00 44.44 H new ATOM 0 HB2 TYR A 54 5.793 0.623 0.092 1.00 11.24 H new ATOM 0 HB3 TYR A 54 4.846 2.092 0.214 1.00 11.24 H new ATOM 0 HD1 TYR A 54 4.195 2.987 2.403 1.00 41.50 H new ATOM 0 HD2 TYR A 54 6.564 -0.543 2.104 1.00 0.02 H new ATOM 0 HE1 TYR A 54 4.830 3.216 4.761 1.00 41.42 H new ATOM 0 HE2 TYR A 54 7.185 -0.325 4.470 1.00 44.24 H new ATOM 0 HH TYR A 54 7.000 0.853 6.333 1.00 64.22 H new ATOM 818 N ILE A 55 2.416 1.547 -1.318 1.00 22.23 N ATOM 819 CA ILE A 55 2.009 1.930 -2.665 1.00 52.00 C ATOM 820 C ILE A 55 1.982 3.441 -2.815 1.00 31.44 C ATOM 821 O ILE A 55 1.953 4.169 -1.823 1.00 62.32 O ATOM 822 CB ILE A 55 0.633 1.335 -3.060 1.00 63.23 C ATOM 823 CG1 ILE A 55 -0.449 1.635 -2.011 1.00 74.44 C ATOM 824 CG2 ILE A 55 0.754 -0.161 -3.286 1.00 44.43 C ATOM 825 CD1 ILE A 55 -1.106 2.991 -2.167 1.00 15.43 C ATOM 0 H ILE A 55 1.977 2.087 -0.572 1.00 22.23 H new ATOM 0 HA ILE A 55 2.754 1.515 -3.344 1.00 52.00 H new ATOM 0 HB ILE A 55 0.323 1.814 -3.989 1.00 63.23 H new ATOM 0 HG12 ILE A 55 -1.217 0.863 -2.066 1.00 74.44 H new ATOM 0 HG13 ILE A 55 -0.004 1.571 -1.018 1.00 74.44 H new ATOM 0 HG21 ILE A 55 -0.219 -0.567 -3.563 1.00 44.43 H new ATOM 0 HG22 ILE A 55 1.468 -0.351 -4.087 1.00 44.43 H new ATOM 0 HG23 ILE A 55 1.100 -0.640 -2.370 1.00 44.43 H new ATOM 0 HD11 ILE A 55 -1.857 3.123 -1.388 1.00 15.43 H new ATOM 0 HD12 ILE A 55 -0.352 3.773 -2.080 1.00 15.43 H new ATOM 0 HD13 ILE A 55 -1.583 3.054 -3.145 1.00 15.43 H new ATOM 837 N GLY A 56 1.999 3.908 -4.052 1.00 22.14 N ATOM 838 CA GLY A 56 1.984 5.330 -4.301 1.00 22.31 C ATOM 839 C GLY A 56 0.598 5.913 -4.145 1.00 44.24 C ATOM 840 O GLY A 56 -0.337 5.488 -4.818 1.00 10.11 O ATOM 0 H GLY A 56 2.023 3.326 -4.889 1.00 22.14 H new ATOM 0 HA2 GLY A 56 2.667 5.827 -3.612 1.00 22.31 H new ATOM 0 HA3 GLY A 56 2.350 5.526 -5.309 1.00 22.31 H new ATOM 844 N THR A 57 0.476 6.902 -3.269 1.00 51.12 N ATOM 845 CA THR A 57 -0.808 7.533 -2.970 1.00 50.35 C ATOM 846 C THR A 57 -1.380 8.269 -4.196 1.00 21.24 C ATOM 847 O THR A 57 -2.520 8.742 -4.179 1.00 30.53 O ATOM 848 CB THR A 57 -0.644 8.519 -1.792 1.00 63.43 C ATOM 849 OG1 THR A 57 0.188 7.921 -0.784 1.00 21.51 O ATOM 850 CG2 THR A 57 -1.993 8.886 -1.180 1.00 71.42 C ATOM 0 H THR A 57 1.261 7.290 -2.746 1.00 51.12 H new ATOM 0 HA THR A 57 -1.512 6.747 -2.697 1.00 50.35 H new ATOM 0 HB THR A 57 -0.183 9.431 -2.173 1.00 63.43 H new ATOM 0 HG1 THR A 57 1.079 8.327 -0.812 1.00 21.51 H new ATOM 0 HG21 THR A 57 -1.841 9.581 -0.354 1.00 71.42 H new ATOM 0 HG22 THR A 57 -2.621 9.355 -1.938 1.00 71.42 H new ATOM 0 HG23 THR A 57 -2.482 7.985 -0.810 1.00 71.42 H new ATOM 858 N ARG A 58 -0.588 8.350 -5.261 1.00 62.21 N ATOM 859 CA ARG A 58 -1.003 9.015 -6.482 1.00 30.04 C ATOM 860 C ARG A 58 -2.162 8.273 -7.147 1.00 42.31 C ATOM 861 O ARG A 58 -3.071 8.896 -7.702 1.00 75.21 O ATOM 862 CB ARG A 58 0.175 9.099 -7.453 1.00 22.44 C ATOM 863 CG ARG A 58 1.380 9.853 -6.913 1.00 11.12 C ATOM 864 CD ARG A 58 2.466 9.979 -7.972 1.00 44.53 C ATOM 865 NE ARG A 58 3.686 10.583 -7.444 1.00 1.42 N ATOM 866 CZ ARG A 58 4.554 11.284 -8.175 1.00 23.12 C ATOM 867 NH1 ARG A 58 4.317 11.519 -9.463 1.00 22.22 N ATOM 868 NH2 ARG A 58 5.656 11.756 -7.606 1.00 14.34 N ATOM 0 H ARG A 58 0.353 7.958 -5.298 1.00 62.21 H new ATOM 0 HA ARG A 58 -1.340 10.019 -6.224 1.00 30.04 H new ATOM 0 HB2 ARG A 58 0.484 8.088 -7.720 1.00 22.44 H new ATOM 0 HB3 ARG A 58 -0.160 9.583 -8.371 1.00 22.44 H new ATOM 0 HG2 ARG A 58 1.074 10.845 -6.582 1.00 11.12 H new ATOM 0 HG3 ARG A 58 1.777 9.334 -6.040 1.00 11.12 H new ATOM 0 HD2 ARG A 58 2.696 8.992 -8.373 1.00 44.53 H new ATOM 0 HD3 ARG A 58 2.094 10.581 -8.801 1.00 44.53 H new ATOM 0 HE ARG A 58 3.888 10.461 -6.452 1.00 1.42 H new ATOM 0 HH11 ARG A 58 3.466 11.162 -9.898 1.00 22.22 H new ATOM 0 HH12 ARG A 58 4.986 12.056 -10.015 1.00 22.22 H new ATOM 0 HH21 ARG A 58 5.834 11.582 -6.617 1.00 14.34 H new ATOM 0 HH22 ARG A 58 6.325 12.293 -8.158 1.00 14.34 H new ATOM 882 N TYR A 59 -2.126 6.944 -7.091 1.00 55.41 N ATOM 883 CA TYR A 59 -3.128 6.129 -7.746 1.00 55.21 C ATOM 884 C TYR A 59 -3.806 5.175 -6.770 1.00 2.20 C ATOM 885 O TYR A 59 -3.164 4.340 -6.137 1.00 53.22 O ATOM 886 CB TYR A 59 -2.502 5.363 -8.905 1.00 52.24 C ATOM 887 CG TYR A 59 -2.373 6.193 -10.163 1.00 35.33 C ATOM 888 CD1 TYR A 59 -1.349 7.117 -10.305 1.00 0.22 C ATOM 889 CD2 TYR A 59 -3.288 6.065 -11.200 1.00 40.13 C ATOM 890 CE1 TYR A 59 -1.234 7.890 -11.443 1.00 75.40 C ATOM 891 CE2 TYR A 59 -3.184 6.835 -12.343 1.00 44.14 C ATOM 892 CZ TYR A 59 -2.155 7.747 -12.460 1.00 61.31 C ATOM 893 OH TYR A 59 -2.052 8.521 -13.592 1.00 24.11 O ATOM 0 H TYR A 59 -1.409 6.414 -6.596 1.00 55.41 H new ATOM 0 HA TYR A 59 -3.900 6.793 -8.136 1.00 55.21 H new ATOM 0 HB2 TYR A 59 -1.515 5.009 -8.608 1.00 52.24 H new ATOM 0 HB3 TYR A 59 -3.106 4.481 -9.119 1.00 52.24 H new ATOM 0 HD1 TYR A 59 -0.627 7.234 -9.510 1.00 0.22 H new ATOM 0 HD2 TYR A 59 -4.094 5.352 -11.112 1.00 40.13 H new ATOM 0 HE1 TYR A 59 -0.428 8.602 -11.537 1.00 75.40 H new ATOM 0 HE2 TYR A 59 -3.904 6.724 -13.140 1.00 44.14 H new ATOM 0 HH TYR A 59 -2.778 8.295 -14.210 1.00 24.11 H new ATOM 903 N LEU A 60 -5.113 5.333 -6.672 1.00 53.21 N ATOM 904 CA LEU A 60 -5.972 4.540 -5.799 1.00 53.31 C ATOM 905 C LEU A 60 -7.369 4.585 -6.387 1.00 25.24 C ATOM 906 O LEU A 60 -7.582 5.263 -7.383 1.00 55.31 O ATOM 907 CB LEU A 60 -5.989 5.098 -4.368 1.00 21.54 C ATOM 908 CG LEU A 60 -4.726 4.843 -3.542 1.00 12.12 C ATOM 909 CD1 LEU A 60 -4.795 5.583 -2.216 1.00 73.33 C ATOM 910 CD2 LEU A 60 -4.541 3.353 -3.306 1.00 62.24 C ATOM 0 H LEU A 60 -5.624 6.033 -7.209 1.00 53.21 H new ATOM 0 HA LEU A 60 -5.597 3.518 -5.740 1.00 53.31 H new ATOM 0 HB2 LEU A 60 -6.157 6.174 -4.419 1.00 21.54 H new ATOM 0 HB3 LEU A 60 -6.840 4.667 -3.840 1.00 21.54 H new ATOM 0 HG LEU A 60 -3.868 5.217 -4.101 1.00 12.12 H new ATOM 0 HD11 LEU A 60 -3.888 5.389 -1.643 1.00 73.33 H new ATOM 0 HD12 LEU A 60 -4.885 6.653 -2.401 1.00 73.33 H new ATOM 0 HD13 LEU A 60 -5.661 5.238 -1.651 1.00 73.33 H new ATOM 0 HD21 LEU A 60 -3.639 3.187 -2.717 1.00 62.24 H new ATOM 0 HD22 LEU A 60 -5.403 2.960 -2.767 1.00 62.24 H new ATOM 0 HD23 LEU A 60 -4.448 2.842 -4.264 1.00 62.24 H new ATOM 922 N SER A 61 -8.317 3.864 -5.818 1.00 5.13 N ATOM 923 CA SER A 61 -9.677 3.946 -6.317 1.00 40.53 C ATOM 924 C SER A 61 -10.600 4.623 -5.311 1.00 34.54 C ATOM 925 O SER A 61 -10.798 4.140 -4.195 1.00 14.01 O ATOM 926 CB SER A 61 -10.195 2.558 -6.689 1.00 55.23 C ATOM 927 OG SER A 61 -9.865 1.597 -5.700 1.00 52.35 O ATOM 0 H SER A 61 -8.178 3.231 -5.031 1.00 5.13 H new ATOM 0 HA SER A 61 -9.668 4.562 -7.216 1.00 40.53 H new ATOM 0 HB2 SER A 61 -11.277 2.594 -6.816 1.00 55.23 H new ATOM 0 HB3 SER A 61 -9.772 2.256 -7.647 1.00 55.23 H new ATOM 0 HG SER A 61 -10.044 1.968 -4.811 1.00 52.35 H new ATOM 933 N LYS A 62 -11.159 5.749 -5.732 1.00 14.33 N ATOM 934 CA LYS A 62 -12.149 6.482 -4.952 1.00 71.35 C ATOM 935 C LYS A 62 -12.816 7.524 -5.841 1.00 53.35 C ATOM 936 O LYS A 62 -13.932 7.967 -5.579 1.00 64.11 O ATOM 937 CB LYS A 62 -11.519 7.130 -3.703 1.00 20.52 C ATOM 938 CG LYS A 62 -10.450 8.180 -3.984 1.00 11.24 C ATOM 939 CD LYS A 62 -11.037 9.579 -4.119 1.00 4.31 C ATOM 940 CE LYS A 62 -9.949 10.620 -4.339 1.00 2.14 C ATOM 941 NZ LYS A 62 -10.483 12.007 -4.269 1.00 54.41 N ATOM 0 H LYS A 62 -10.938 6.183 -6.628 1.00 14.33 H new ATOM 0 HA LYS A 62 -12.904 5.783 -4.594 1.00 71.35 H new ATOM 0 HB2 LYS A 62 -12.312 7.591 -3.114 1.00 20.52 H new ATOM 0 HB3 LYS A 62 -11.080 6.344 -3.088 1.00 20.52 H new ATOM 0 HG2 LYS A 62 -9.716 8.172 -3.179 1.00 11.24 H new ATOM 0 HG3 LYS A 62 -9.921 7.920 -4.901 1.00 11.24 H new ATOM 0 HD2 LYS A 62 -11.738 9.602 -4.953 1.00 4.31 H new ATOM 0 HD3 LYS A 62 -11.602 9.826 -3.220 1.00 4.31 H new ATOM 0 HE2 LYS A 62 -9.169 10.493 -3.588 1.00 2.14 H new ATOM 0 HE3 LYS A 62 -9.484 10.459 -5.312 1.00 2.14 H new ATOM 0 HZ1 LYS A 62 -9.720 12.683 -4.474 1.00 54.41 H new ATOM 0 HZ2 LYS A 62 -11.245 12.121 -4.968 1.00 54.41 H new ATOM 0 HZ3 LYS A 62 -10.858 12.187 -3.316 1.00 54.41 H new ATOM 955 N LEU A 63 -12.120 7.891 -6.916 1.00 65.03 N ATOM 956 CA LEU A 63 -12.658 8.792 -7.927 1.00 11.24 C ATOM 957 C LEU A 63 -13.502 7.998 -8.923 1.00 53.51 C ATOM 958 O LEU A 63 -13.541 8.298 -10.117 1.00 62.03 O ATOM 959 CB LEU A 63 -11.507 9.510 -8.647 1.00 11.11 C ATOM 960 CG LEU A 63 -11.922 10.612 -9.627 1.00 33.03 C ATOM 961 CD1 LEU A 63 -12.657 11.727 -8.905 1.00 22.45 C ATOM 962 CD2 LEU A 63 -10.705 11.157 -10.353 1.00 34.45 C ATOM 0 H LEU A 63 -11.170 7.572 -7.108 1.00 65.03 H new ATOM 0 HA LEU A 63 -13.291 9.541 -7.450 1.00 11.24 H new ATOM 0 HB2 LEU A 63 -10.849 9.946 -7.896 1.00 11.11 H new ATOM 0 HB3 LEU A 63 -10.923 8.767 -9.190 1.00 11.11 H new ATOM 0 HG LEU A 63 -12.601 10.180 -10.362 1.00 33.03 H new ATOM 0 HD11 LEU A 63 -12.942 12.498 -9.621 1.00 22.45 H new ATOM 0 HD12 LEU A 63 -13.552 11.325 -8.430 1.00 22.45 H new ATOM 0 HD13 LEU A 63 -12.006 12.160 -8.145 1.00 22.45 H new ATOM 0 HD21 LEU A 63 -11.015 11.939 -11.046 1.00 34.45 H new ATOM 0 HD22 LEU A 63 -10.004 11.571 -9.628 1.00 34.45 H new ATOM 0 HD23 LEU A 63 -10.221 10.352 -10.907 1.00 34.45 H new ATOM 974 N GLU A 64 -14.174 6.971 -8.419 1.00 3.13 N ATOM 975 CA GLU A 64 -15.080 6.180 -9.231 1.00 30.11 C ATOM 976 C GLU A 64 -16.328 6.993 -9.553 1.00 44.41 C ATOM 977 O GLU A 64 -16.458 8.127 -9.098 1.00 13.23 O ATOM 978 CB GLU A 64 -15.426 4.861 -8.532 1.00 13.22 C ATOM 979 CG GLU A 64 -15.760 5.001 -7.056 1.00 13.12 C ATOM 980 CD GLU A 64 -15.971 3.657 -6.388 1.00 71.03 C ATOM 981 OE1 GLU A 64 -14.971 2.952 -6.129 1.00 11.43 O ATOM 982 OE2 GLU A 64 -17.137 3.299 -6.123 1.00 2.34 O ATOM 0 H GLU A 64 -14.106 6.668 -7.447 1.00 3.13 H new ATOM 0 HA GLU A 64 -14.589 5.926 -10.170 1.00 30.11 H new ATOM 0 HB2 GLU A 64 -16.275 4.405 -9.042 1.00 13.22 H new ATOM 0 HB3 GLU A 64 -14.585 4.176 -8.638 1.00 13.22 H new ATOM 0 HG2 GLU A 64 -14.954 5.533 -6.551 1.00 13.12 H new ATOM 0 HG3 GLU A 64 -16.660 5.606 -6.944 1.00 13.12 H new ATOM 989 N HIS A 65 -17.236 6.406 -10.333 1.00 62.20 N ATOM 990 CA HIS A 65 -18.354 7.144 -10.922 1.00 73.43 C ATOM 991 C HIS A 65 -17.835 8.093 -11.998 1.00 53.22 C ATOM 992 O HIS A 65 -18.485 9.079 -12.349 1.00 75.53 O ATOM 993 CB HIS A 65 -19.153 7.913 -9.859 1.00 35.24 C ATOM 994 CG HIS A 65 -20.456 7.270 -9.496 1.00 64.45 C ATOM 995 ND1 HIS A 65 -20.554 6.142 -8.714 1.00 3.42 N ATOM 996 CD2 HIS A 65 -21.727 7.616 -9.811 1.00 72.24 C ATOM 997 CE1 HIS A 65 -21.825 5.820 -8.568 1.00 74.30 C ATOM 998 NE2 HIS A 65 -22.559 6.697 -9.222 1.00 41.33 N ATOM 0 H HIS A 65 -17.219 5.415 -10.573 1.00 62.20 H new ATOM 0 HA HIS A 65 -19.035 6.423 -11.376 1.00 73.43 H new ATOM 0 HB2 HIS A 65 -18.544 8.010 -8.960 1.00 35.24 H new ATOM 0 HB3 HIS A 65 -19.346 8.922 -10.223 1.00 35.24 H new ATOM 0 HD2 HIS A 65 -22.030 8.459 -10.414 1.00 72.24 H new ATOM 0 HE1 HIS A 65 -22.201 4.978 -8.006 1.00 74.30 H new ATOM 0 HE2 HIS A 65 -23.577 6.694 -9.281 1.00 41.33 H new ATOM 1007 N HIS A 66 -16.667 7.755 -12.541 1.00 4.31 N ATOM 1008 CA HIS A 66 -16.034 8.562 -13.575 1.00 62.14 C ATOM 1009 C HIS A 66 -16.468 8.084 -14.953 1.00 23.03 C ATOM 1010 O HIS A 66 -16.486 6.883 -15.232 1.00 53.45 O ATOM 1011 CB HIS A 66 -14.495 8.536 -13.452 1.00 34.23 C ATOM 1012 CG HIS A 66 -13.873 7.164 -13.479 1.00 33.25 C ATOM 1013 ND1 HIS A 66 -13.537 6.503 -14.643 1.00 64.32 N ATOM 1014 CD2 HIS A 66 -13.510 6.337 -12.469 1.00 32.33 C ATOM 1015 CE1 HIS A 66 -12.998 5.335 -14.346 1.00 64.34 C ATOM 1016 NE2 HIS A 66 -12.968 5.210 -13.034 1.00 0.41 N ATOM 0 H HIS A 66 -16.140 6.922 -12.278 1.00 4.31 H new ATOM 0 HA HIS A 66 -16.357 9.594 -13.440 1.00 62.14 H new ATOM 0 HB2 HIS A 66 -14.071 9.126 -14.265 1.00 34.23 H new ATOM 0 HB3 HIS A 66 -14.212 9.027 -12.521 1.00 34.23 H new ATOM 0 HD1 HIS A 66 -13.683 6.861 -15.587 1.00 64.32 H new ATOM 0 HD2 HIS A 66 -13.626 6.530 -11.413 1.00 32.33 H new ATOM 0 HE1 HIS A 66 -12.642 4.605 -15.058 1.00 64.34 H new ATOM 1025 N HIS A 67 -16.816 9.026 -15.810 1.00 51.42 N ATOM 1026 CA HIS A 67 -17.324 8.708 -17.133 1.00 75.05 C ATOM 1027 C HIS A 67 -16.185 8.519 -18.122 1.00 45.12 C ATOM 1028 O HIS A 67 -15.150 9.178 -18.029 1.00 25.21 O ATOM 1029 CB HIS A 67 -18.257 9.814 -17.629 1.00 73.12 C ATOM 1030 CG HIS A 67 -19.519 9.948 -16.837 1.00 21.12 C ATOM 1031 ND1 HIS A 67 -19.685 10.887 -15.847 1.00 3.32 N ATOM 1032 CD2 HIS A 67 -20.680 9.260 -16.899 1.00 13.31 C ATOM 1033 CE1 HIS A 67 -20.895 10.777 -15.338 1.00 41.32 C ATOM 1034 NE2 HIS A 67 -21.523 9.796 -15.959 1.00 71.10 N ATOM 0 H HIS A 67 -16.756 10.025 -15.612 1.00 51.42 H new ATOM 0 HA HIS A 67 -17.882 7.775 -17.060 1.00 75.05 H new ATOM 0 HB2 HIS A 67 -17.723 10.764 -17.605 1.00 73.12 H new ATOM 0 HB3 HIS A 67 -18.513 9.619 -18.670 1.00 73.12 H new ATOM 0 HD2 HIS A 67 -20.903 8.440 -17.565 1.00 13.31 H new ATOM 0 HE1 HIS A 67 -21.304 11.387 -14.546 1.00 41.32 H new ATOM 0 HE2 HIS A 67 -22.477 9.488 -15.771 1.00 71.10 H new ATOM 1043 N HIS A 68 -16.387 7.616 -19.067 1.00 42.03 N ATOM 1044 CA HIS A 68 -15.421 7.383 -20.138 1.00 24.42 C ATOM 1045 C HIS A 68 -15.815 8.196 -21.366 1.00 21.54 C ATOM 1046 O HIS A 68 -15.636 7.749 -22.499 1.00 75.43 O ATOM 1047 CB HIS A 68 -15.347 5.880 -20.483 1.00 21.02 C ATOM 1048 CG HIS A 68 -16.669 5.251 -20.837 1.00 52.11 C ATOM 1049 ND1 HIS A 68 -17.276 4.298 -20.052 1.00 31.21 N ATOM 1050 CD2 HIS A 68 -17.496 5.438 -21.897 1.00 71.34 C ATOM 1051 CE1 HIS A 68 -18.411 3.926 -20.610 1.00 35.22 C ATOM 1052 NE2 HIS A 68 -18.572 4.602 -21.729 1.00 24.33 N ATOM 0 H HIS A 68 -17.217 7.026 -19.118 1.00 42.03 H new ATOM 0 HA HIS A 68 -14.434 7.701 -19.803 1.00 24.42 H new ATOM 0 HB2 HIS A 68 -14.661 5.746 -21.319 1.00 21.02 H new ATOM 0 HB3 HIS A 68 -14.922 5.346 -19.633 1.00 21.02 H new ATOM 0 HD2 HIS A 68 -17.337 6.119 -22.720 1.00 71.34 H new ATOM 0 HE1 HIS A 68 -19.095 3.189 -20.215 1.00 35.22 H new ATOM 0 HE2 HIS A 68 -19.365 4.518 -22.365 1.00 24.33 H new ATOM 1061 N HIS A 69 -16.328 9.402 -21.115 1.00 71.11 N ATOM 1062 CA HIS A 69 -16.962 10.225 -22.143 1.00 43.11 C ATOM 1063 C HIS A 69 -18.240 9.540 -22.602 1.00 53.41 C ATOM 1064 O HIS A 69 -18.230 8.740 -23.540 1.00 44.01 O ATOM 1065 CB HIS A 69 -16.026 10.491 -23.333 1.00 24.22 C ATOM 1066 CG HIS A 69 -16.608 11.412 -24.367 1.00 63.11 C ATOM 1067 ND1 HIS A 69 -17.238 10.961 -25.510 1.00 34.02 N ATOM 1068 CD2 HIS A 69 -16.641 12.763 -24.432 1.00 42.32 C ATOM 1069 CE1 HIS A 69 -17.629 11.995 -26.230 1.00 12.44 C ATOM 1070 NE2 HIS A 69 -17.279 13.097 -25.598 1.00 70.40 N ATOM 0 H HIS A 69 -16.315 9.835 -20.191 1.00 71.11 H new ATOM 0 HA HIS A 69 -17.196 11.198 -21.712 1.00 43.11 H new ATOM 0 HB2 HIS A 69 -15.094 10.918 -22.962 1.00 24.22 H new ATOM 0 HB3 HIS A 69 -15.775 9.541 -23.806 1.00 24.22 H new ATOM 0 HD2 HIS A 69 -16.240 13.450 -23.702 1.00 42.32 H new ATOM 0 HE1 HIS A 69 -18.148 11.947 -27.176 1.00 12.44 H new ATOM 0 HE2 HIS A 69 -17.455 14.047 -25.925 1.00 70.40 H new ATOM 1079 N HIS A 70 -19.320 9.840 -21.892 1.00 63.32 N ATOM 1080 CA HIS A 70 -20.622 9.214 -22.099 1.00 72.32 C ATOM 1081 C HIS A 70 -20.542 7.714 -21.832 1.00 61.01 C ATOM 1082 O HIS A 70 -20.406 6.933 -22.798 1.00 38.60 O ATOM 1083 CB HIS A 70 -21.159 9.476 -23.509 1.00 64.43 C ATOM 1084 CG HIS A 70 -22.620 9.185 -23.640 1.00 44.11 C ATOM 1085 ND1 HIS A 70 -23.115 7.942 -23.964 1.00 2.53 N ATOM 1086 CD2 HIS A 70 -23.698 9.985 -23.476 1.00 62.24 C ATOM 1087 CE1 HIS A 70 -24.432 7.991 -23.995 1.00 44.12 C ATOM 1088 NE2 HIS A 70 -24.814 9.219 -23.702 1.00 61.03 N ATOM 1089 OXT HIS A 70 -20.603 7.325 -20.648 1.00 38.60 O ATOM 0 H HIS A 70 -19.317 10.535 -21.145 1.00 63.32 H new ATOM 0 HA HIS A 70 -21.318 9.663 -21.391 1.00 72.32 H new ATOM 0 HB2 HIS A 70 -20.976 10.517 -23.774 1.00 64.43 H new ATOM 0 HB3 HIS A 70 -20.607 8.864 -24.222 1.00 64.43 H new ATOM 0 HD2 HIS A 70 -23.683 11.033 -23.215 1.00 62.24 H new ATOM 0 HE1 HIS A 70 -25.088 7.164 -24.222 1.00 44.12 H new ATOM 0 HE2 HIS A 70 -25.779 9.545 -23.652 1.00 61.03 H new TER 1098 HIS A 70