USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 683 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 61 ASN : amide:sc= -1.63 K(o=-1,f=-4.9!) USER MOD Set 1.2: A 63 SER OG : rot 104:sc= 0.601 USER MOD Set 2.1: A 35 THR OG1 : rot 123:sc= 1.55 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -176:sc= 0.311 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.139 USER MOD Single : A 4 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.1) USER MOD Single : A 5 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.97) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.821! X(o=-0.82!,f=-1.2) USER MOD Single : A 38 THR OG1 : rot -2:sc= 1.3 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.671 K(o=-0.67,f=-0.17) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 82 MET CE :methyl -159:sc= 0 (180deg=-0.636) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc=-0.00115 X(o=-0.0012,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -140:sc= -0.0475 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= -0.0906 (180deg=-0.404) USER MOD Single : A 91 SER OG : rot 120:sc= -0.821 USER MOD Single : A 92 ASN : amide:sc= -6.15! K(o=-6.2!,f=-1.9) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.55 K(o=-1.5,f=0.11) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.992 -2.343 -1.232 1.00 72.44 N ATOM 9 CA SER A 2 5.166 -3.082 -0.783 1.00 4.45 C ATOM 10 C SER A 2 4.893 -4.583 -0.772 1.00 73.13 C ATOM 11 O SER A 2 4.549 -5.156 0.261 1.00 32.20 O ATOM 12 CB SER A 2 5.581 -2.619 0.616 1.00 41.12 C ATOM 13 OG SER A 2 5.708 -1.208 0.669 1.00 71.53 O ATOM 0 HA SER A 2 5.979 -2.883 -1.482 1.00 4.45 H new ATOM 0 HB2 SER A 2 4.842 -2.948 1.346 1.00 41.12 H new ATOM 0 HB3 SER A 2 6.528 -3.083 0.890 1.00 41.12 H new ATOM 0 HG SER A 2 5.188 -0.805 -0.057 1.00 71.53 H new ATOM 19 N ALA A 3 5.049 -5.214 -1.933 1.00 2.25 N ATOM 20 CA ALA A 3 4.822 -6.648 -2.058 1.00 55.21 C ATOM 21 C ALA A 3 3.437 -7.031 -1.546 1.00 41.13 C ATOM 22 O ALA A 3 3.305 -7.657 -0.495 1.00 42.31 O ATOM 23 CB ALA A 3 5.896 -7.421 -1.308 1.00 31.11 C ATOM 0 H ALA A 3 5.331 -4.754 -2.799 1.00 2.25 H new ATOM 0 HA ALA A 3 4.875 -6.908 -3.115 1.00 55.21 H new ATOM 0 HB1 ALA A 3 5.713 -8.491 -1.411 1.00 31.11 H new ATOM 0 HB2 ALA A 3 6.875 -7.179 -1.722 1.00 31.11 H new ATOM 0 HB3 ALA A 3 5.871 -7.148 -0.253 1.00 31.11 H new ATOM 29 N GLN A 4 2.408 -6.651 -2.297 1.00 2.23 N ATOM 30 CA GLN A 4 1.033 -6.954 -1.918 1.00 3.11 C ATOM 31 C GLN A 4 0.609 -8.319 -2.450 1.00 64.23 C ATOM 32 O GLN A 4 0.840 -8.641 -3.615 1.00 1.52 O ATOM 33 CB GLN A 4 0.086 -5.873 -2.442 1.00 0.10 C ATOM 34 CG GLN A 4 -1.072 -5.572 -1.505 1.00 34.13 C ATOM 35 CD GLN A 4 -2.054 -6.722 -1.403 1.00 60.42 C ATOM 36 OE1 GLN A 4 -1.974 -7.543 -0.489 1.00 63.20 O ATOM 37 NE2 GLN A 4 -2.989 -6.788 -2.344 1.00 52.00 N ATOM 0 H GLN A 4 2.501 -6.133 -3.171 1.00 2.23 H new ATOM 0 HA GLN A 4 0.980 -6.976 -0.829 1.00 3.11 H new ATOM 0 HB2 GLN A 4 0.652 -4.957 -2.612 1.00 0.10 H new ATOM 0 HB3 GLN A 4 -0.311 -6.186 -3.408 1.00 0.10 H new ATOM 0 HG2 GLN A 4 -0.682 -5.343 -0.513 1.00 34.13 H new ATOM 0 HG3 GLN A 4 -1.595 -4.682 -1.855 1.00 34.13 H new ATOM 0 HE21 GLN A 4 -3.019 -6.086 -3.084 1.00 52.00 H new ATOM 0 HE22 GLN A 4 -3.677 -7.540 -2.327 1.00 52.00 H new ATOM 46 N ASN A 5 -0.009 -9.119 -1.587 1.00 53.01 N ATOM 47 CA ASN A 5 -0.464 -10.451 -1.971 1.00 14.14 C ATOM 48 C ASN A 5 -1.825 -10.384 -2.658 1.00 51.30 C ATOM 49 O ASN A 5 -2.809 -9.939 -2.066 1.00 32.53 O ATOM 50 CB ASN A 5 -0.544 -11.359 -0.742 1.00 15.41 C ATOM 51 CG ASN A 5 -1.488 -10.818 0.316 1.00 60.44 C ATOM 52 OD1 ASN A 5 -1.111 -9.970 1.123 1.00 44.21 O ATOM 53 ND2 ASN A 5 -2.721 -11.310 0.314 1.00 31.24 N ATOM 0 H ASN A 5 -0.206 -8.869 -0.618 1.00 53.01 H new ATOM 0 HA ASN A 5 0.258 -10.866 -2.674 1.00 14.14 H new ATOM 0 HB2 ASN A 5 -0.875 -12.351 -1.048 1.00 15.41 H new ATOM 0 HB3 ASN A 5 0.451 -11.474 -0.313 1.00 15.41 H new ATOM 0 HD21 ASN A 5 -3.401 -10.985 1.002 1.00 31.24 H new ATOM 0 HD22 ASN A 5 -2.989 -12.013 -0.375 1.00 31.24 H new ATOM 60 N ILE A 6 -1.873 -10.830 -3.909 1.00 15.03 N ATOM 61 CA ILE A 6 -3.113 -10.822 -4.674 1.00 41.24 C ATOM 62 C ILE A 6 -3.419 -12.205 -5.240 1.00 64.42 C ATOM 63 O ILE A 6 -2.599 -12.796 -5.943 1.00 65.44 O ATOM 64 CB ILE A 6 -3.053 -9.808 -5.833 1.00 20.13 C ATOM 65 CG1 ILE A 6 -3.069 -8.379 -5.289 1.00 11.43 C ATOM 66 CG2 ILE A 6 -4.214 -10.030 -6.791 1.00 1.24 C ATOM 67 CD1 ILE A 6 -1.702 -7.866 -4.895 1.00 63.41 C ATOM 0 H ILE A 6 -1.068 -11.201 -4.414 1.00 15.03 H new ATOM 0 HA ILE A 6 -3.906 -10.530 -3.986 1.00 41.24 H new ATOM 0 HB ILE A 6 -2.123 -9.958 -6.381 1.00 20.13 H new ATOM 0 HG12 ILE A 6 -3.493 -7.717 -6.044 1.00 11.43 H new ATOM 0 HG13 ILE A 6 -3.728 -8.337 -4.422 1.00 11.43 H new ATOM 0 HG21 ILE A 6 -4.158 -9.306 -7.604 1.00 1.24 H new ATOM 0 HG22 ILE A 6 -4.161 -11.039 -7.199 1.00 1.24 H new ATOM 0 HG23 ILE A 6 -5.156 -9.904 -6.257 1.00 1.24 H new ATOM 0 HD11 ILE A 6 -1.790 -6.847 -4.518 1.00 63.41 H new ATOM 0 HD12 ILE A 6 -1.284 -8.505 -4.118 1.00 63.41 H new ATOM 0 HD13 ILE A 6 -1.045 -7.875 -5.765 1.00 63.41 H new ATOM 79 N THR A 7 -4.605 -12.716 -4.929 1.00 14.15 N ATOM 80 CA THR A 7 -5.020 -14.030 -5.406 1.00 55.20 C ATOM 81 C THR A 7 -5.814 -13.918 -6.703 1.00 2.04 C ATOM 82 O THR A 7 -6.605 -12.992 -6.881 1.00 5.14 O ATOM 83 CB THR A 7 -5.875 -14.764 -4.356 1.00 14.04 C ATOM 84 OG1 THR A 7 -6.991 -13.951 -3.977 1.00 10.25 O ATOM 85 CG2 THR A 7 -5.047 -15.104 -3.126 1.00 30.14 C ATOM 0 H THR A 7 -5.296 -12.240 -4.349 1.00 14.15 H new ATOM 0 HA THR A 7 -4.110 -14.602 -5.588 1.00 55.20 H new ATOM 0 HB THR A 7 -6.237 -15.692 -4.799 1.00 14.04 H new ATOM 0 HG1 THR A 7 -7.530 -14.426 -3.311 1.00 10.25 H new ATOM 0 HG21 THR A 7 -5.672 -15.622 -2.398 1.00 30.14 H new ATOM 0 HG22 THR A 7 -4.216 -15.748 -3.414 1.00 30.14 H new ATOM 0 HG23 THR A 7 -4.659 -14.186 -2.683 1.00 30.14 H new ATOM 93 N ALA A 8 -5.599 -14.869 -7.607 1.00 50.40 N ATOM 94 CA ALA A 8 -6.297 -14.877 -8.886 1.00 72.32 C ATOM 95 C ALA A 8 -6.518 -16.303 -9.380 1.00 35.24 C ATOM 96 O ALA A 8 -5.925 -17.249 -8.862 1.00 33.41 O ATOM 97 CB ALA A 8 -5.517 -14.075 -9.918 1.00 14.14 C ATOM 0 H ALA A 8 -4.947 -15.643 -7.477 1.00 50.40 H new ATOM 0 HA ALA A 8 -7.273 -14.413 -8.743 1.00 72.32 H new ATOM 0 HB1 ALA A 8 -6.050 -14.089 -10.869 1.00 14.14 H new ATOM 0 HB2 ALA A 8 -5.413 -13.045 -9.576 1.00 14.14 H new ATOM 0 HB3 ALA A 8 -4.529 -14.515 -10.050 1.00 14.14 H new ATOM 103 N ARG A 9 -7.377 -16.450 -10.384 1.00 44.25 N ATOM 104 CA ARG A 9 -7.678 -17.761 -10.947 1.00 45.12 C ATOM 105 C ARG A 9 -7.402 -17.786 -12.447 1.00 53.53 C ATOM 106 O ARG A 9 -7.549 -16.772 -13.132 1.00 11.11 O ATOM 107 CB ARG A 9 -9.138 -18.131 -10.679 1.00 51.12 C ATOM 108 CG ARG A 9 -9.315 -19.143 -9.560 1.00 62.32 C ATOM 109 CD ARG A 9 -9.898 -18.499 -8.313 1.00 15.11 C ATOM 110 NE ARG A 9 -10.272 -19.491 -7.308 1.00 14.22 N ATOM 111 CZ ARG A 9 -10.433 -19.208 -6.021 1.00 11.34 C ATOM 112 NH1 ARG A 9 -10.255 -17.969 -5.583 1.00 44.23 N ATOM 113 NH2 ARG A 9 -10.775 -20.164 -5.168 1.00 22.35 N ATOM 0 H ARG A 9 -7.877 -15.677 -10.824 1.00 44.25 H new ATOM 0 HA ARG A 9 -7.030 -18.493 -10.465 1.00 45.12 H new ATOM 0 HB2 ARG A 9 -9.693 -17.227 -10.430 1.00 51.12 H new ATOM 0 HB3 ARG A 9 -9.576 -18.533 -11.593 1.00 51.12 H new ATOM 0 HG2 ARG A 9 -9.970 -19.947 -9.896 1.00 62.32 H new ATOM 0 HG3 ARG A 9 -8.352 -19.595 -9.321 1.00 62.32 H new ATOM 0 HD2 ARG A 9 -9.170 -17.809 -7.887 1.00 15.11 H new ATOM 0 HD3 ARG A 9 -10.774 -17.910 -8.585 1.00 15.11 H new ATOM 0 HE ARG A 9 -10.417 -20.454 -7.612 1.00 14.22 H new ATOM 0 HH11 ARG A 9 -9.994 -17.230 -6.236 1.00 44.23 H new ATOM 0 HH12 ARG A 9 -10.380 -17.755 -4.593 1.00 44.23 H new ATOM 0 HH21 ARG A 9 -10.915 -21.118 -5.500 1.00 22.35 H new ATOM 0 HH22 ARG A 9 -10.898 -19.945 -4.179 1.00 22.35 H new ATOM 127 N ILE A 10 -7.001 -18.948 -12.951 1.00 14.42 N ATOM 128 CA ILE A 10 -6.706 -19.103 -14.370 1.00 24.43 C ATOM 129 C ILE A 10 -7.890 -18.672 -15.229 1.00 42.34 C ATOM 130 O ILE A 10 -8.991 -19.205 -15.100 1.00 23.44 O ATOM 131 CB ILE A 10 -6.341 -20.560 -14.712 1.00 12.42 C ATOM 132 CG1 ILE A 10 -5.024 -20.951 -14.039 1.00 41.41 C ATOM 133 CG2 ILE A 10 -6.246 -20.742 -16.220 1.00 21.15 C ATOM 134 CD1 ILE A 10 -4.913 -22.430 -13.741 1.00 40.33 C ATOM 0 H ILE A 10 -6.873 -19.796 -12.398 1.00 14.42 H new ATOM 0 HA ILE A 10 -5.852 -18.462 -14.587 1.00 24.43 H new ATOM 0 HB ILE A 10 -7.127 -21.214 -14.335 1.00 12.42 H new ATOM 0 HG12 ILE A 10 -4.195 -20.655 -14.682 1.00 41.41 H new ATOM 0 HG13 ILE A 10 -4.921 -20.392 -13.109 1.00 41.41 H new ATOM 0 HG21 ILE A 10 -5.987 -21.776 -16.446 1.00 21.15 H new ATOM 0 HG22 ILE A 10 -7.205 -20.500 -16.677 1.00 21.15 H new ATOM 0 HG23 ILE A 10 -5.477 -20.080 -16.619 1.00 21.15 H new ATOM 0 HD11 ILE A 10 -3.954 -22.634 -13.264 1.00 40.33 H new ATOM 0 HD12 ILE A 10 -5.721 -22.728 -13.073 1.00 40.33 H new ATOM 0 HD13 ILE A 10 -4.984 -22.995 -14.671 1.00 40.33 H new ATOM 146 N GLY A 11 -7.654 -17.703 -16.109 1.00 24.32 N ATOM 147 CA GLY A 11 -8.710 -17.217 -16.977 1.00 65.14 C ATOM 148 C GLY A 11 -9.509 -16.094 -16.347 1.00 23.31 C ATOM 149 O GLY A 11 -10.505 -15.640 -16.910 1.00 72.52 O ATOM 0 H GLY A 11 -6.751 -17.247 -16.236 1.00 24.32 H new ATOM 0 HA2 GLY A 11 -8.274 -16.868 -17.913 1.00 65.14 H new ATOM 0 HA3 GLY A 11 -9.380 -18.040 -17.225 1.00 65.14 H new ATOM 153 N GLU A 12 -9.074 -15.647 -15.173 1.00 1.51 N ATOM 154 CA GLU A 12 -9.759 -14.571 -14.465 1.00 41.04 C ATOM 155 C GLU A 12 -9.018 -13.248 -14.637 1.00 40.13 C ATOM 156 O GLU A 12 -7.788 -13.189 -14.624 1.00 74.13 O ATOM 157 CB GLU A 12 -9.882 -14.908 -12.978 1.00 14.14 C ATOM 158 CG GLU A 12 -10.652 -16.190 -12.706 1.00 31.10 C ATOM 159 CD GLU A 12 -11.921 -16.294 -13.530 1.00 14.24 C ATOM 160 OE1 GLU A 12 -12.832 -15.464 -13.324 1.00 73.53 O ATOM 161 OE2 GLU A 12 -12.003 -17.204 -14.380 1.00 73.52 O ATOM 0 H GLU A 12 -8.252 -16.012 -14.693 1.00 1.51 H new ATOM 0 HA GLU A 12 -10.757 -14.467 -14.892 1.00 41.04 H new ATOM 0 HB2 GLU A 12 -8.883 -14.996 -12.550 1.00 14.14 H new ATOM 0 HB3 GLU A 12 -10.376 -14.082 -12.466 1.00 14.14 H new ATOM 0 HG2 GLU A 12 -10.012 -17.046 -12.921 1.00 31.10 H new ATOM 0 HG3 GLU A 12 -10.906 -16.239 -11.647 1.00 31.10 H new ATOM 168 N PRO A 13 -9.784 -12.160 -14.804 1.00 42.22 N ATOM 169 CA PRO A 13 -9.223 -10.817 -14.983 1.00 43.51 C ATOM 170 C PRO A 13 -8.574 -10.286 -13.710 1.00 3.22 C ATOM 171 O PRO A 13 -9.052 -10.542 -12.603 1.00 44.22 O ATOM 172 CB PRO A 13 -10.443 -9.970 -15.355 1.00 64.11 C ATOM 173 CG PRO A 13 -11.602 -10.694 -14.762 1.00 45.32 C ATOM 174 CD PRO A 13 -11.256 -12.155 -14.830 1.00 21.10 C ATOM 0 HA PRO A 13 -8.432 -10.802 -15.733 1.00 43.51 H new ATOM 0 HB2 PRO A 13 -10.360 -8.960 -14.954 1.00 64.11 H new ATOM 0 HB3 PRO A 13 -10.546 -9.877 -16.436 1.00 64.11 H new ATOM 0 HG2 PRO A 13 -11.772 -10.381 -13.732 1.00 45.32 H new ATOM 0 HG3 PRO A 13 -12.518 -10.484 -15.315 1.00 45.32 H new ATOM 0 HD2 PRO A 13 -11.674 -12.706 -13.988 1.00 21.10 H new ATOM 0 HD3 PRO A 13 -11.643 -12.618 -15.738 1.00 21.10 H new ATOM 182 N LEU A 14 -7.482 -9.545 -13.871 1.00 75.01 N ATOM 183 CA LEU A 14 -6.767 -8.977 -12.734 1.00 52.02 C ATOM 184 C LEU A 14 -6.220 -7.593 -13.071 1.00 34.13 C ATOM 185 O LEU A 14 -5.752 -7.354 -14.184 1.00 14.42 O ATOM 186 CB LEU A 14 -5.624 -9.901 -12.312 1.00 45.15 C ATOM 187 CG LEU A 14 -4.923 -9.546 -11.000 1.00 61.32 C ATOM 188 CD1 LEU A 14 -5.826 -9.849 -9.814 1.00 42.41 C ATOM 189 CD2 LEU A 14 -3.607 -10.300 -10.878 1.00 61.20 C ATOM 0 H LEU A 14 -7.073 -9.324 -14.779 1.00 75.01 H new ATOM 0 HA LEU A 14 -7.470 -8.878 -11.907 1.00 52.02 H new ATOM 0 HB2 LEU A 14 -6.015 -10.915 -12.229 1.00 45.15 H new ATOM 0 HB3 LEU A 14 -4.879 -9.911 -13.108 1.00 45.15 H new ATOM 0 HG LEU A 14 -4.707 -8.478 -11.002 1.00 61.32 H new ATOM 0 HD11 LEU A 14 -5.311 -9.590 -8.889 1.00 42.41 H new ATOM 0 HD12 LEU A 14 -6.742 -9.264 -9.895 1.00 42.41 H new ATOM 0 HD13 LEU A 14 -6.073 -10.911 -9.807 1.00 42.41 H new ATOM 0 HD21 LEU A 14 -3.122 -10.035 -9.939 1.00 61.20 H new ATOM 0 HD22 LEU A 14 -3.799 -11.373 -10.898 1.00 61.20 H new ATOM 0 HD23 LEU A 14 -2.956 -10.033 -11.710 1.00 61.20 H new ATOM 201 N VAL A 15 -6.282 -6.686 -12.101 1.00 62.54 N ATOM 202 CA VAL A 15 -5.789 -5.327 -12.293 1.00 34.34 C ATOM 203 C VAL A 15 -4.719 -4.980 -11.264 1.00 11.51 C ATOM 204 O VAL A 15 -4.762 -5.448 -10.126 1.00 24.05 O ATOM 205 CB VAL A 15 -6.932 -4.299 -12.198 1.00 45.03 C ATOM 206 CG1 VAL A 15 -6.434 -2.912 -12.577 1.00 4.12 C ATOM 207 CG2 VAL A 15 -8.098 -4.714 -13.082 1.00 62.31 C ATOM 0 H VAL A 15 -6.669 -6.868 -11.175 1.00 62.54 H new ATOM 0 HA VAL A 15 -5.354 -5.285 -13.292 1.00 34.34 H new ATOM 0 HB VAL A 15 -7.282 -4.266 -11.166 1.00 45.03 H new ATOM 0 HG11 VAL A 15 -7.255 -2.198 -12.504 1.00 4.12 H new ATOM 0 HG12 VAL A 15 -5.634 -2.615 -11.899 1.00 4.12 H new ATOM 0 HG13 VAL A 15 -6.056 -2.928 -13.599 1.00 4.12 H new ATOM 0 HG21 VAL A 15 -8.896 -3.976 -13.002 1.00 62.31 H new ATOM 0 HG22 VAL A 15 -7.765 -4.777 -14.118 1.00 62.31 H new ATOM 0 HG23 VAL A 15 -8.470 -5.687 -12.761 1.00 62.31 H new ATOM 217 N LEU A 16 -3.761 -4.156 -11.672 1.00 3.35 N ATOM 218 CA LEU A 16 -2.678 -3.744 -10.784 1.00 53.40 C ATOM 219 C LEU A 16 -2.495 -2.229 -10.815 1.00 61.23 C ATOM 220 O LEU A 16 -2.727 -1.586 -11.839 1.00 73.44 O ATOM 221 CB LEU A 16 -1.374 -4.435 -11.184 1.00 22.13 C ATOM 222 CG LEU A 16 -1.294 -5.935 -10.897 1.00 20.22 C ATOM 223 CD1 LEU A 16 0.062 -6.486 -11.309 1.00 63.21 C ATOM 224 CD2 LEU A 16 -1.558 -6.210 -9.423 1.00 33.43 C ATOM 0 H LEU A 16 -3.711 -3.760 -12.611 1.00 3.35 H new ATOM 0 HA LEU A 16 -2.941 -4.039 -9.768 1.00 53.40 H new ATOM 0 HB2 LEU A 16 -1.217 -4.281 -12.252 1.00 22.13 H new ATOM 0 HB3 LEU A 16 -0.551 -3.942 -10.666 1.00 22.13 H new ATOM 0 HG LEU A 16 -2.061 -6.439 -11.484 1.00 20.22 H new ATOM 0 HD11 LEU A 16 0.100 -7.555 -11.097 1.00 63.21 H new ATOM 0 HD12 LEU A 16 0.212 -6.322 -12.376 1.00 63.21 H new ATOM 0 HD13 LEU A 16 0.847 -5.977 -10.749 1.00 63.21 H new ATOM 0 HD21 LEU A 16 -1.497 -7.282 -9.236 1.00 33.43 H new ATOM 0 HD22 LEU A 16 -0.813 -5.693 -8.817 1.00 33.43 H new ATOM 0 HD23 LEU A 16 -2.553 -5.852 -9.158 1.00 33.43 H new ATOM 236 N LYS A 17 -2.075 -1.666 -9.688 1.00 22.03 N ATOM 237 CA LYS A 17 -1.857 -0.227 -9.586 1.00 60.43 C ATOM 238 C LYS A 17 -0.373 0.086 -9.423 1.00 1.53 C ATOM 239 O LYS A 17 0.387 -0.720 -8.887 1.00 65.41 O ATOM 240 CB LYS A 17 -2.644 0.346 -8.406 1.00 22.03 C ATOM 241 CG LYS A 17 -2.796 1.856 -8.453 1.00 15.11 C ATOM 242 CD LYS A 17 -4.051 2.313 -7.728 1.00 12.41 C ATOM 243 CE LYS A 17 -5.291 2.132 -8.590 1.00 61.51 C ATOM 244 NZ LYS A 17 -6.544 2.283 -7.798 1.00 74.24 N ATOM 0 H LYS A 17 -1.878 -2.184 -8.831 1.00 22.03 H new ATOM 0 HA LYS A 17 -2.209 0.236 -10.508 1.00 60.43 H new ATOM 0 HB2 LYS A 17 -3.634 -0.110 -8.384 1.00 22.03 H new ATOM 0 HB3 LYS A 17 -2.145 0.068 -7.478 1.00 22.03 H new ATOM 0 HG2 LYS A 17 -1.922 2.325 -8.000 1.00 15.11 H new ATOM 0 HG3 LYS A 17 -2.833 2.187 -9.491 1.00 15.11 H new ATOM 0 HD2 LYS A 17 -4.164 1.748 -6.803 1.00 12.41 H new ATOM 0 HD3 LYS A 17 -3.950 3.362 -7.450 1.00 12.41 H new ATOM 0 HE2 LYS A 17 -5.282 2.864 -9.398 1.00 61.51 H new ATOM 0 HE3 LYS A 17 -5.271 1.145 -9.053 1.00 61.51 H new ATOM 0 HZ1 LYS A 17 -7.366 2.153 -8.421 1.00 74.24 H new ATOM 0 HZ2 LYS A 17 -6.565 1.569 -7.042 1.00 74.24 H new ATOM 0 HZ3 LYS A 17 -6.576 3.233 -7.377 1.00 74.24 H new ATOM 258 N CYS A 18 0.032 1.265 -9.884 1.00 74.10 N ATOM 259 CA CYS A 18 1.424 1.686 -9.788 1.00 40.55 C ATOM 260 C CYS A 18 1.592 2.769 -8.726 1.00 1.11 C ATOM 261 O CYS A 18 1.298 3.941 -8.965 1.00 32.30 O ATOM 262 CB CYS A 18 1.916 2.204 -11.141 1.00 40.13 C ATOM 263 SG CYS A 18 3.718 2.070 -11.378 1.00 51.10 S ATOM 0 H CYS A 18 -0.585 1.946 -10.328 1.00 74.10 H new ATOM 0 HA CYS A 18 2.020 0.821 -9.498 1.00 40.55 H new ATOM 0 HB2 CYS A 18 1.414 1.650 -11.934 1.00 40.13 H new ATOM 0 HB3 CYS A 18 1.623 3.249 -11.246 1.00 40.13 H new ATOM 268 N LYS A 19 2.068 2.369 -7.552 1.00 41.32 N ATOM 269 CA LYS A 19 2.278 3.303 -6.452 1.00 12.51 C ATOM 270 C LYS A 19 3.234 4.419 -6.861 1.00 12.42 C ATOM 271 O LYS A 19 4.382 4.165 -7.224 1.00 14.14 O ATOM 272 CB LYS A 19 2.830 2.568 -5.229 1.00 12.04 C ATOM 273 CG LYS A 19 2.073 1.295 -4.892 1.00 75.14 C ATOM 274 CD LYS A 19 0.585 1.557 -4.734 1.00 32.40 C ATOM 275 CE LYS A 19 0.308 2.542 -3.608 1.00 72.52 C ATOM 276 NZ LYS A 19 -1.151 2.764 -3.412 1.00 43.22 N ATOM 0 H LYS A 19 2.316 1.403 -7.338 1.00 41.32 H new ATOM 0 HA LYS A 19 1.316 3.747 -6.197 1.00 12.51 H new ATOM 0 HB2 LYS A 19 3.877 2.322 -5.405 1.00 12.04 H new ATOM 0 HB3 LYS A 19 2.800 3.237 -4.369 1.00 12.04 H new ATOM 0 HG2 LYS A 19 2.232 0.557 -5.678 1.00 75.14 H new ATOM 0 HG3 LYS A 19 2.468 0.869 -3.970 1.00 75.14 H new ATOM 0 HD2 LYS A 19 0.182 1.948 -5.668 1.00 32.40 H new ATOM 0 HD3 LYS A 19 0.069 0.618 -4.533 1.00 32.40 H new ATOM 0 HE2 LYS A 19 0.746 2.168 -2.683 1.00 72.52 H new ATOM 0 HE3 LYS A 19 0.793 3.492 -3.829 1.00 72.52 H new ATOM 0 HZ1 LYS A 19 -1.298 3.441 -2.636 1.00 43.22 H new ATOM 0 HZ2 LYS A 19 -1.565 3.145 -4.287 1.00 43.22 H new ATOM 0 HZ3 LYS A 19 -1.611 1.862 -3.176 1.00 43.22 H new ATOM 290 N GLY A 20 2.753 5.657 -6.799 1.00 43.12 N ATOM 291 CA GLY A 20 3.578 6.793 -7.164 1.00 42.44 C ATOM 292 C GLY A 20 2.931 7.664 -8.223 1.00 62.30 C ATOM 293 O GLY A 20 3.013 8.890 -8.163 1.00 1.54 O ATOM 0 H GLY A 20 1.806 5.893 -6.502 1.00 43.12 H new ATOM 0 HA2 GLY A 20 3.777 7.393 -6.276 1.00 42.44 H new ATOM 0 HA3 GLY A 20 4.541 6.436 -7.530 1.00 42.44 H new ATOM 434 N LEU A 29 7.072 6.018 -17.698 1.00 62.24 N ATOM 435 CA LEU A 29 7.102 4.934 -16.722 1.00 34.44 C ATOM 436 C LEU A 29 7.315 3.588 -17.408 1.00 55.33 C ATOM 437 O LEU A 29 6.919 3.399 -18.558 1.00 12.41 O ATOM 438 CB LEU A 29 5.801 4.909 -15.917 1.00 33.22 C ATOM 439 CG LEU A 29 4.535 5.310 -16.676 1.00 62.43 C ATOM 440 CD1 LEU A 29 4.288 4.363 -17.840 1.00 42.13 C ATOM 441 CD2 LEU A 29 3.336 5.330 -15.739 1.00 43.41 C ATOM 0 HA LEU A 29 7.938 5.112 -16.045 1.00 34.44 H new ATOM 0 HB2 LEU A 29 5.661 3.903 -15.522 1.00 33.22 H new ATOM 0 HB3 LEU A 29 5.914 5.574 -15.061 1.00 33.22 H new ATOM 0 HG LEU A 29 4.676 6.314 -17.075 1.00 62.43 H new ATOM 0 HD11 LEU A 29 3.383 4.664 -18.368 1.00 42.13 H new ATOM 0 HD12 LEU A 29 5.136 4.398 -18.524 1.00 42.13 H new ATOM 0 HD13 LEU A 29 4.167 3.347 -17.463 1.00 42.13 H new ATOM 0 HD21 LEU A 29 2.444 5.617 -16.296 1.00 43.41 H new ATOM 0 HD22 LEU A 29 3.193 4.338 -15.310 1.00 43.41 H new ATOM 0 HD23 LEU A 29 3.512 6.049 -14.939 1.00 43.41 H new ATOM 453 N GLU A 30 7.940 2.657 -16.695 1.00 51.40 N ATOM 454 CA GLU A 30 8.203 1.330 -17.236 1.00 32.25 C ATOM 455 C GLU A 30 7.561 0.251 -16.367 1.00 60.14 C ATOM 456 O GLU A 30 7.438 0.410 -15.152 1.00 54.22 O ATOM 457 CB GLU A 30 9.710 1.086 -17.341 1.00 33.12 C ATOM 458 CG GLU A 30 10.097 0.134 -18.460 1.00 33.45 C ATOM 459 CD GLU A 30 9.599 0.595 -19.816 1.00 11.45 C ATOM 460 OE1 GLU A 30 9.554 1.822 -20.045 1.00 21.43 O ATOM 461 OE2 GLU A 30 9.254 -0.270 -20.648 1.00 20.31 O ATOM 0 H GLU A 30 8.273 2.798 -15.741 1.00 51.40 H new ATOM 0 HA GLU A 30 7.764 1.279 -18.232 1.00 32.25 H new ATOM 0 HB2 GLU A 30 10.214 2.040 -17.497 1.00 33.12 H new ATOM 0 HB3 GLU A 30 10.071 0.686 -16.394 1.00 33.12 H new ATOM 0 HG2 GLU A 30 11.182 0.036 -18.490 1.00 33.45 H new ATOM 0 HG3 GLU A 30 9.693 -0.856 -18.246 1.00 33.45 H new ATOM 468 N TRP A 31 7.156 -0.845 -16.999 1.00 2.44 N ATOM 469 CA TRP A 31 6.526 -1.950 -16.284 1.00 42.40 C ATOM 470 C TRP A 31 7.290 -3.250 -16.511 1.00 12.44 C ATOM 471 O TRP A 31 7.726 -3.540 -17.625 1.00 13.31 O ATOM 472 CB TRP A 31 5.074 -2.112 -16.732 1.00 13.30 C ATOM 473 CG TRP A 31 4.246 -0.878 -16.526 1.00 22.52 C ATOM 474 CD1 TRP A 31 4.425 0.337 -17.122 1.00 5.11 C ATOM 475 CD2 TRP A 31 3.113 -0.742 -15.662 1.00 15.02 C ATOM 476 NE1 TRP A 31 3.471 1.222 -16.680 1.00 33.24 N ATOM 477 CE2 TRP A 31 2.653 0.585 -15.785 1.00 31.53 C ATOM 478 CE3 TRP A 31 2.440 -1.610 -14.798 1.00 73.11 C ATOM 479 CZ2 TRP A 31 1.554 1.059 -15.075 1.00 55.43 C ATOM 480 CZ3 TRP A 31 1.349 -1.137 -14.094 1.00 11.01 C ATOM 481 CH2 TRP A 31 0.914 0.187 -14.237 1.00 1.42 C ATOM 0 H TRP A 31 7.252 -0.992 -18.004 1.00 2.44 H new ATOM 0 HA TRP A 31 6.546 -1.720 -15.219 1.00 42.40 H new ATOM 0 HB2 TRP A 31 5.055 -2.381 -17.788 1.00 13.30 H new ATOM 0 HB3 TRP A 31 4.623 -2.939 -16.184 1.00 13.30 H new ATOM 0 HD1 TRP A 31 5.202 0.569 -17.836 1.00 5.11 H new ATOM 0 HE1 TRP A 31 3.386 2.196 -16.971 1.00 33.24 H new ATOM 0 HE3 TRP A 31 2.767 -2.633 -14.682 1.00 73.11 H new ATOM 0 HZ2 TRP A 31 1.218 2.080 -15.182 1.00 55.43 H new ATOM 0 HZ3 TRP A 31 0.823 -1.799 -13.422 1.00 11.01 H new ATOM 0 HH2 TRP A 31 0.057 0.526 -13.675 1.00 1.42 H new ATOM 492 N LYS A 32 7.449 -4.030 -15.447 1.00 62.20 N ATOM 493 CA LYS A 32 8.158 -5.301 -15.530 1.00 64.24 C ATOM 494 C LYS A 32 7.631 -6.288 -14.493 1.00 52.12 C ATOM 495 O LYS A 32 7.417 -5.931 -13.334 1.00 54.43 O ATOM 496 CB LYS A 32 9.660 -5.086 -15.327 1.00 4.52 C ATOM 497 CG LYS A 32 10.350 -4.448 -16.520 1.00 45.31 C ATOM 498 CD LYS A 32 11.827 -4.214 -16.251 1.00 24.34 C ATOM 499 CE LYS A 32 12.441 -3.279 -17.281 1.00 54.11 C ATOM 500 NZ LYS A 32 13.849 -2.931 -16.946 1.00 30.53 N ATOM 0 H LYS A 32 7.096 -3.804 -14.517 1.00 62.20 H new ATOM 0 HA LYS A 32 7.987 -5.718 -16.522 1.00 64.24 H new ATOM 0 HB2 LYS A 32 9.813 -4.457 -14.450 1.00 4.52 H new ATOM 0 HB3 LYS A 32 10.131 -6.046 -15.116 1.00 4.52 H new ATOM 0 HG2 LYS A 32 10.236 -5.090 -17.394 1.00 45.31 H new ATOM 0 HG3 LYS A 32 9.868 -3.499 -16.756 1.00 45.31 H new ATOM 0 HD2 LYS A 32 11.954 -3.792 -15.254 1.00 24.34 H new ATOM 0 HD3 LYS A 32 12.355 -5.167 -16.263 1.00 24.34 H new ATOM 0 HE2 LYS A 32 12.407 -3.749 -18.264 1.00 54.11 H new ATOM 0 HE3 LYS A 32 11.847 -2.367 -17.343 1.00 54.11 H new ATOM 0 HZ1 LYS A 32 14.231 -2.292 -17.672 1.00 30.53 H new ATOM 0 HZ2 LYS A 32 13.879 -2.459 -16.020 1.00 30.53 H new ATOM 0 HZ3 LYS A 32 14.422 -3.798 -16.912 1.00 30.53 H new ATOM 514 N LEU A 33 7.425 -7.531 -14.916 1.00 52.43 N ATOM 515 CA LEU A 33 6.924 -8.569 -14.023 1.00 73.43 C ATOM 516 C LEU A 33 7.553 -9.920 -14.352 1.00 54.25 C ATOM 517 O LEU A 33 7.831 -10.219 -15.513 1.00 75.31 O ATOM 518 CB LEU A 33 5.400 -8.665 -14.125 1.00 44.01 C ATOM 519 CG LEU A 33 4.789 -8.241 -15.460 1.00 54.31 C ATOM 520 CD1 LEU A 33 4.885 -6.733 -15.636 1.00 73.10 C ATOM 521 CD2 LEU A 33 5.473 -8.958 -16.613 1.00 61.32 C ATOM 0 H LEU A 33 7.597 -7.844 -15.871 1.00 52.43 H new ATOM 0 HA LEU A 33 7.198 -8.300 -13.003 1.00 73.43 H new ATOM 0 HB2 LEU A 33 5.107 -9.696 -13.925 1.00 44.01 H new ATOM 0 HB3 LEU A 33 4.964 -8.051 -13.337 1.00 44.01 H new ATOM 0 HG LEU A 33 3.735 -8.521 -15.459 1.00 54.31 H new ATOM 0 HD11 LEU A 33 4.445 -6.450 -16.592 1.00 73.10 H new ATOM 0 HD12 LEU A 33 4.347 -6.237 -14.828 1.00 73.10 H new ATOM 0 HD13 LEU A 33 5.932 -6.430 -15.614 1.00 73.10 H new ATOM 0 HD21 LEU A 33 5.024 -8.643 -17.555 1.00 61.32 H new ATOM 0 HD22 LEU A 33 6.535 -8.711 -16.616 1.00 61.32 H new ATOM 0 HD23 LEU A 33 5.351 -10.035 -16.495 1.00 61.32 H new ATOM 533 N ASN A 34 7.773 -10.730 -13.323 1.00 75.51 N ATOM 534 CA ASN A 34 8.367 -12.051 -13.503 1.00 12.20 C ATOM 535 C ASN A 34 7.355 -13.150 -13.197 1.00 13.14 C ATOM 536 O ASN A 34 6.708 -13.140 -12.148 1.00 52.12 O ATOM 537 CB ASN A 34 9.594 -12.207 -12.603 1.00 60.34 C ATOM 538 CG ASN A 34 9.427 -13.320 -11.586 1.00 2.21 C ATOM 539 OD1 ASN A 34 9.270 -13.066 -10.392 1.00 21.41 O ATOM 540 ND2 ASN A 34 9.461 -14.561 -12.057 1.00 2.12 N ATOM 0 H ASN A 34 7.549 -10.496 -12.356 1.00 75.51 H new ATOM 0 HA ASN A 34 8.674 -12.145 -14.545 1.00 12.20 H new ATOM 0 HB2 ASN A 34 10.470 -12.410 -13.219 1.00 60.34 H new ATOM 0 HB3 ASN A 34 9.781 -11.268 -12.082 1.00 60.34 H new ATOM 0 HD21 ASN A 34 9.355 -15.351 -11.421 1.00 2.12 H new ATOM 0 HD22 ASN A 34 9.593 -14.724 -13.055 1.00 2.12 H new ATOM 547 N THR A 35 7.221 -14.098 -14.119 1.00 1.40 N ATOM 548 CA THR A 35 6.287 -15.204 -13.949 1.00 41.32 C ATOM 549 C THR A 35 6.904 -16.520 -14.406 1.00 44.13 C ATOM 550 O THR A 35 8.054 -16.559 -14.844 1.00 5.34 O ATOM 551 CB THR A 35 4.982 -14.963 -14.730 1.00 54.24 C ATOM 552 OG1 THR A 35 5.161 -15.323 -16.105 1.00 44.54 O ATOM 553 CG2 THR A 35 4.555 -13.507 -14.634 1.00 13.51 C ATOM 0 H THR A 35 7.748 -14.122 -14.992 1.00 1.40 H new ATOM 0 HA THR A 35 6.059 -15.263 -12.885 1.00 41.32 H new ATOM 0 HB THR A 35 4.201 -15.584 -14.290 1.00 54.24 H new ATOM 0 HG1 THR A 35 4.496 -15.997 -16.356 1.00 44.54 H new ATOM 0 HG21 THR A 35 3.631 -13.361 -15.193 1.00 13.51 H new ATOM 0 HG22 THR A 35 4.392 -13.244 -13.589 1.00 13.51 H new ATOM 0 HG23 THR A 35 5.336 -12.871 -15.051 1.00 13.51 H new ATOM 561 N GLY A 36 6.133 -17.598 -14.303 1.00 64.21 N ATOM 562 CA GLY A 36 6.622 -18.902 -14.710 1.00 71.22 C ATOM 563 C GLY A 36 7.623 -19.479 -13.729 1.00 21.14 C ATOM 564 O GLY A 36 7.390 -19.474 -12.520 1.00 14.13 O ATOM 0 H GLY A 36 5.178 -17.591 -13.945 1.00 64.21 H new ATOM 0 HA2 GLY A 36 5.780 -19.587 -14.810 1.00 71.22 H new ATOM 0 HA3 GLY A 36 7.086 -18.822 -15.693 1.00 71.22 H new ATOM 568 N ARG A 37 8.737 -19.981 -14.249 1.00 63.44 N ATOM 569 CA ARG A 37 9.776 -20.568 -13.409 1.00 72.12 C ATOM 570 C ARG A 37 11.044 -19.720 -13.440 1.00 40.25 C ATOM 571 O ARG A 37 11.726 -19.565 -12.427 1.00 44.02 O ATOM 572 CB ARG A 37 10.090 -21.992 -13.871 1.00 2.14 C ATOM 573 CG ARG A 37 9.125 -23.034 -13.330 1.00 32.02 C ATOM 574 CD ARG A 37 7.758 -22.922 -13.988 1.00 60.41 C ATOM 575 NE ARG A 37 6.996 -24.162 -13.880 1.00 21.34 N ATOM 576 CZ ARG A 37 7.256 -25.250 -14.596 1.00 73.22 C ATOM 577 NH1 ARG A 37 8.254 -25.251 -15.468 1.00 44.23 N ATOM 578 NH2 ARG A 37 6.517 -26.342 -14.442 1.00 13.44 N ATOM 0 H ARG A 37 8.945 -19.994 -15.248 1.00 63.44 H new ATOM 0 HA ARG A 37 9.406 -20.599 -12.384 1.00 72.12 H new ATOM 0 HB2 ARG A 37 10.073 -22.024 -14.960 1.00 2.14 H new ATOM 0 HB3 ARG A 37 11.102 -22.251 -13.561 1.00 2.14 H new ATOM 0 HG2 ARG A 37 9.531 -24.031 -13.500 1.00 32.02 H new ATOM 0 HG3 ARG A 37 9.022 -22.911 -12.252 1.00 32.02 H new ATOM 0 HD2 ARG A 37 7.198 -22.111 -13.524 1.00 60.41 H new ATOM 0 HD3 ARG A 37 7.882 -22.663 -15.040 1.00 60.41 H new ATOM 0 HE ARG A 37 6.221 -24.195 -13.218 1.00 21.34 H new ATOM 0 HH11 ARG A 37 8.825 -24.415 -15.591 1.00 44.23 H new ATOM 0 HH12 ARG A 37 8.451 -26.088 -16.016 1.00 44.23 H new ATOM 0 HH21 ARG A 37 5.747 -26.347 -13.773 1.00 13.44 H new ATOM 0 HH22 ARG A 37 6.719 -27.176 -14.993 1.00 13.44 H new ATOM 592 N THR A 38 11.355 -19.172 -14.611 1.00 74.32 N ATOM 593 CA THR A 38 12.542 -18.342 -14.775 1.00 75.21 C ATOM 594 C THR A 38 12.655 -17.822 -16.204 1.00 24.52 C ATOM 595 O THR A 38 13.209 -16.749 -16.441 1.00 54.01 O ATOM 596 CB THR A 38 13.824 -19.117 -14.420 1.00 63.21 C ATOM 597 OG1 THR A 38 14.895 -18.202 -14.163 1.00 14.22 O ATOM 598 CG2 THR A 38 14.216 -20.062 -15.546 1.00 53.13 C ATOM 0 H THR A 38 10.801 -19.288 -15.460 1.00 74.32 H new ATOM 0 HA THR A 38 12.436 -17.500 -14.091 1.00 75.21 H new ATOM 0 HB THR A 38 13.628 -19.707 -13.525 1.00 63.21 H new ATOM 0 HG1 THR A 38 14.582 -17.284 -14.305 1.00 14.22 H new ATOM 0 HG21 THR A 38 15.125 -20.598 -15.271 1.00 53.13 H new ATOM 0 HG22 THR A 38 13.411 -20.777 -15.718 1.00 53.13 H new ATOM 0 HG23 THR A 38 14.394 -19.489 -16.456 1.00 53.13 H new ATOM 606 N GLU A 39 12.128 -18.590 -17.152 1.00 53.01 N ATOM 607 CA GLU A 39 12.171 -18.205 -18.559 1.00 23.44 C ATOM 608 C GLU A 39 10.828 -17.640 -19.009 1.00 64.12 C ATOM 609 O GLU A 39 10.411 -17.836 -20.150 1.00 30.31 O ATOM 610 CB GLU A 39 12.549 -19.408 -19.427 1.00 52.23 C ATOM 611 CG GLU A 39 13.968 -19.901 -19.200 1.00 34.50 C ATOM 612 CD GLU A 39 14.144 -21.361 -19.572 1.00 1.53 C ATOM 613 OE1 GLU A 39 14.071 -21.679 -20.778 1.00 5.31 O ATOM 614 OE2 GLU A 39 14.354 -22.184 -18.657 1.00 71.42 O ATOM 0 H GLU A 39 11.667 -19.482 -16.972 1.00 53.01 H new ATOM 0 HA GLU A 39 12.928 -17.430 -18.675 1.00 23.44 H new ATOM 0 HB2 GLU A 39 11.854 -20.223 -19.226 1.00 52.23 H new ATOM 0 HB3 GLU A 39 12.430 -19.139 -20.477 1.00 52.23 H new ATOM 0 HG2 GLU A 39 14.658 -19.295 -19.787 1.00 34.50 H new ATOM 0 HG3 GLU A 39 14.234 -19.762 -18.152 1.00 34.50 H new ATOM 621 N ALA A 40 10.156 -16.936 -18.104 1.00 34.30 N ATOM 622 CA ALA A 40 8.860 -16.340 -18.409 1.00 65.21 C ATOM 623 C ALA A 40 8.873 -14.838 -18.149 1.00 13.22 C ATOM 624 O ALA A 40 7.893 -14.143 -18.420 1.00 24.42 O ATOM 625 CB ALA A 40 7.766 -17.010 -17.591 1.00 34.33 C ATOM 0 H ALA A 40 10.487 -16.764 -17.155 1.00 34.30 H new ATOM 0 HA ALA A 40 8.655 -16.497 -19.468 1.00 65.21 H new ATOM 0 HB1 ALA A 40 6.804 -16.556 -17.828 1.00 34.33 H new ATOM 0 HB2 ALA A 40 7.734 -18.073 -17.829 1.00 34.33 H new ATOM 0 HB3 ALA A 40 7.976 -16.882 -16.529 1.00 34.33 H new ATOM 631 N TRP A 41 9.987 -14.343 -17.622 1.00 11.54 N ATOM 632 CA TRP A 41 10.125 -12.921 -17.324 1.00 24.21 C ATOM 633 C TRP A 41 9.901 -12.079 -18.575 1.00 63.34 C ATOM 634 O TRP A 41 10.521 -12.315 -19.614 1.00 12.44 O ATOM 635 CB TRP A 41 11.510 -12.634 -16.742 1.00 41.12 C ATOM 636 CG TRP A 41 11.920 -13.605 -15.676 1.00 21.53 C ATOM 637 CD1 TRP A 41 11.093 -14.355 -14.889 1.00 71.24 C ATOM 638 CD2 TRP A 41 13.256 -13.929 -15.280 1.00 44.30 C ATOM 639 NE1 TRP A 41 11.835 -15.126 -14.028 1.00 3.02 N ATOM 640 CE2 TRP A 41 13.165 -14.883 -14.248 1.00 24.05 C ATOM 641 CE3 TRP A 41 14.522 -13.506 -15.697 1.00 30.40 C ATOM 642 CZ2 TRP A 41 14.291 -15.419 -13.628 1.00 70.20 C ATOM 643 CZ3 TRP A 41 15.639 -14.040 -15.081 1.00 20.25 C ATOM 644 CH2 TRP A 41 15.518 -14.988 -14.057 1.00 32.13 C ATOM 0 H TRP A 41 10.807 -14.904 -17.392 1.00 11.54 H new ATOM 0 HA TRP A 41 9.367 -12.653 -16.588 1.00 24.21 H new ATOM 0 HB2 TRP A 41 12.246 -12.656 -17.546 1.00 41.12 H new ATOM 0 HB3 TRP A 41 11.520 -11.626 -16.328 1.00 41.12 H new ATOM 0 HD1 TRP A 41 10.014 -14.343 -14.937 1.00 71.24 H new ATOM 0 HE1 TRP A 41 11.457 -15.774 -13.337 1.00 3.02 H new ATOM 0 HE3 TRP A 41 14.625 -12.776 -16.486 1.00 30.40 H new ATOM 0 HZ2 TRP A 41 14.200 -16.149 -12.837 1.00 70.20 H new ATOM 0 HZ3 TRP A 41 16.622 -13.721 -15.395 1.00 20.25 H new ATOM 0 HH2 TRP A 41 16.410 -15.387 -13.597 1.00 32.13 H new ATOM 655 N LYS A 42 9.014 -11.096 -18.470 1.00 74.03 N ATOM 656 CA LYS A 42 8.709 -10.217 -19.593 1.00 64.01 C ATOM 657 C LYS A 42 8.589 -8.768 -19.132 1.00 3.31 C ATOM 658 O LYS A 42 8.318 -8.498 -17.961 1.00 71.35 O ATOM 659 CB LYS A 42 7.411 -10.656 -20.273 1.00 61.04 C ATOM 660 CG LYS A 42 6.175 -10.448 -19.416 1.00 32.13 C ATOM 661 CD LYS A 42 6.027 -11.547 -18.377 1.00 22.13 C ATOM 662 CE LYS A 42 4.582 -11.695 -17.924 1.00 32.54 C ATOM 663 NZ LYS A 42 4.129 -13.113 -17.974 1.00 32.05 N ATOM 0 H LYS A 42 8.493 -10.888 -17.618 1.00 74.03 H new ATOM 0 HA LYS A 42 9.528 -10.286 -20.309 1.00 64.01 H new ATOM 0 HB2 LYS A 42 7.294 -10.103 -21.205 1.00 61.04 H new ATOM 0 HB3 LYS A 42 7.487 -11.711 -20.536 1.00 61.04 H new ATOM 0 HG2 LYS A 42 6.235 -9.480 -18.918 1.00 32.13 H new ATOM 0 HG3 LYS A 42 5.290 -10.425 -20.052 1.00 32.13 H new ATOM 0 HD2 LYS A 42 6.378 -12.492 -18.793 1.00 22.13 H new ATOM 0 HD3 LYS A 42 6.658 -11.323 -17.517 1.00 22.13 H new ATOM 0 HE2 LYS A 42 4.479 -11.316 -16.907 1.00 32.54 H new ATOM 0 HE3 LYS A 42 3.938 -11.085 -18.558 1.00 32.54 H new ATOM 0 HZ1 LYS A 42 3.121 -13.164 -17.723 1.00 32.05 H new ATOM 0 HZ2 LYS A 42 4.267 -13.488 -18.934 1.00 32.05 H new ATOM 0 HZ3 LYS A 42 4.683 -13.678 -17.299 1.00 32.05 H new ATOM 677 N VAL A 43 8.793 -7.838 -20.060 1.00 53.50 N ATOM 678 CA VAL A 43 8.705 -6.416 -19.749 1.00 53.31 C ATOM 679 C VAL A 43 7.419 -5.811 -20.302 1.00 2.13 C ATOM 680 O VAL A 43 7.158 -5.869 -21.505 1.00 24.51 O ATOM 681 CB VAL A 43 9.909 -5.642 -20.317 1.00 53.54 C ATOM 682 CG1 VAL A 43 9.776 -4.155 -20.021 1.00 63.30 C ATOM 683 CG2 VAL A 43 11.210 -6.192 -19.753 1.00 73.21 C ATOM 0 H VAL A 43 9.020 -8.044 -21.033 1.00 53.50 H new ATOM 0 HA VAL A 43 8.706 -6.329 -18.662 1.00 53.31 H new ATOM 0 HB VAL A 43 9.925 -5.773 -21.399 1.00 53.54 H new ATOM 0 HG11 VAL A 43 10.636 -3.624 -20.430 1.00 63.30 H new ATOM 0 HG12 VAL A 43 8.863 -3.773 -20.478 1.00 63.30 H new ATOM 0 HG13 VAL A 43 9.734 -4.001 -18.943 1.00 63.30 H new ATOM 0 HG21 VAL A 43 12.050 -5.633 -20.165 1.00 73.21 H new ATOM 0 HG22 VAL A 43 11.206 -6.094 -18.667 1.00 73.21 H new ATOM 0 HG23 VAL A 43 11.307 -7.244 -20.022 1.00 73.21 H new ATOM 693 N LEU A 44 6.617 -5.229 -19.416 1.00 40.02 N ATOM 694 CA LEU A 44 5.356 -4.612 -19.815 1.00 25.40 C ATOM 695 C LEU A 44 5.559 -3.143 -20.172 1.00 32.14 C ATOM 696 O LEU A 44 6.406 -2.464 -19.592 1.00 5.21 O ATOM 697 CB LEU A 44 4.327 -4.739 -18.692 1.00 34.24 C ATOM 698 CG LEU A 44 3.199 -5.745 -18.926 1.00 61.31 C ATOM 699 CD1 LEU A 44 2.213 -5.720 -17.768 1.00 13.20 C ATOM 700 CD2 LEU A 44 2.489 -5.455 -20.240 1.00 52.35 C ATOM 0 H LEU A 44 6.817 -5.171 -18.418 1.00 40.02 H new ATOM 0 HA LEU A 44 4.987 -5.134 -20.698 1.00 25.40 H new ATOM 0 HB2 LEU A 44 4.850 -5.016 -17.777 1.00 34.24 H new ATOM 0 HB3 LEU A 44 3.883 -3.758 -18.521 1.00 34.24 H new ATOM 0 HG LEU A 44 3.634 -6.743 -18.984 1.00 61.31 H new ATOM 0 HD11 LEU A 44 1.417 -6.442 -17.952 1.00 13.20 H new ATOM 0 HD12 LEU A 44 2.730 -5.978 -16.844 1.00 13.20 H new ATOM 0 HD13 LEU A 44 1.784 -4.722 -17.677 1.00 13.20 H new ATOM 0 HD21 LEU A 44 1.690 -6.181 -20.390 1.00 52.35 H new ATOM 0 HD22 LEU A 44 2.066 -4.451 -20.211 1.00 52.35 H new ATOM 0 HD23 LEU A 44 3.202 -5.526 -21.062 1.00 52.35 H new ATOM 712 N SER A 45 4.774 -2.658 -21.128 1.00 54.51 N ATOM 713 CA SER A 45 4.867 -1.269 -21.564 1.00 21.23 C ATOM 714 C SER A 45 3.508 -0.582 -21.481 1.00 2.42 C ATOM 715 O SER A 45 2.461 -1.225 -21.408 1.00 42.35 O ATOM 716 CB SER A 45 5.402 -1.197 -22.995 1.00 43.34 C ATOM 717 OG SER A 45 5.272 -2.445 -23.652 1.00 42.02 O ATOM 0 H SER A 45 4.066 -3.206 -21.616 1.00 54.51 H new ATOM 0 HA SER A 45 5.558 -0.750 -20.899 1.00 21.23 H new ATOM 0 HB2 SER A 45 4.860 -0.432 -23.551 1.00 43.34 H new ATOM 0 HB3 SER A 45 6.450 -0.898 -22.980 1.00 43.34 H new ATOM 0 HG SER A 45 5.620 -2.372 -24.565 1.00 42.02 H new ATOM 723 N PRO A 46 3.523 0.760 -21.494 1.00 30.45 N ATOM 724 CA PRO A 46 2.301 1.566 -21.421 1.00 34.01 C ATOM 725 C PRO A 46 1.464 1.466 -22.693 1.00 64.31 C ATOM 726 O PRO A 46 0.382 2.044 -22.780 1.00 63.02 O ATOM 727 CB PRO A 46 2.826 2.991 -21.237 1.00 43.31 C ATOM 728 CG PRO A 46 4.192 2.972 -21.833 1.00 15.43 C ATOM 729 CD PRO A 46 4.735 1.593 -21.579 1.00 14.21 C ATOM 0 HA PRO A 46 1.641 1.234 -20.620 1.00 34.01 H new ATOM 0 HB2 PRO A 46 2.185 3.717 -21.738 1.00 43.31 H new ATOM 0 HB3 PRO A 46 2.858 3.268 -20.183 1.00 43.31 H new ATOM 0 HG2 PRO A 46 4.155 3.186 -22.901 1.00 15.43 H new ATOM 0 HG3 PRO A 46 4.827 3.732 -21.377 1.00 15.43 H new ATOM 0 HD2 PRO A 46 5.392 1.265 -22.384 1.00 14.21 H new ATOM 0 HD3 PRO A 46 5.316 1.553 -20.657 1.00 14.21 H new ATOM 737 N GLN A 47 1.975 0.730 -23.674 1.00 10.21 N ATOM 738 CA GLN A 47 1.274 0.556 -24.941 1.00 71.13 C ATOM 739 C GLN A 47 0.974 -0.917 -25.199 1.00 32.42 C ATOM 740 O GLN A 47 1.591 -1.546 -26.057 1.00 11.11 O ATOM 741 CB GLN A 47 2.106 1.127 -26.091 1.00 13.52 C ATOM 742 CG GLN A 47 1.356 1.186 -27.413 1.00 0.25 C ATOM 743 CD GLN A 47 0.239 2.211 -27.405 1.00 10.11 C ATOM 744 OE1 GLN A 47 0.412 3.338 -27.872 1.00 31.44 O ATOM 745 NE2 GLN A 47 -0.916 1.825 -26.874 1.00 44.53 N ATOM 0 H GLN A 47 2.871 0.245 -23.616 1.00 10.21 H new ATOM 0 HA GLN A 47 0.329 1.096 -24.882 1.00 71.13 H new ATOM 0 HB2 GLN A 47 2.437 2.131 -25.825 1.00 13.52 H new ATOM 0 HB3 GLN A 47 3.002 0.519 -26.218 1.00 13.52 H new ATOM 0 HG2 GLN A 47 2.057 1.424 -28.213 1.00 0.25 H new ATOM 0 HG3 GLN A 47 0.940 0.203 -27.635 1.00 0.25 H new ATOM 0 HE21 GLN A 47 -1.015 0.882 -26.499 1.00 44.53 H new ATOM 0 HE22 GLN A 47 -1.704 2.472 -26.842 1.00 44.53 H new ATOM 852 N ALA A 56 -1.319 -8.823 -21.576 1.00 11.51 N ATOM 853 CA ALA A 56 -2.143 -7.816 -20.918 1.00 72.10 C ATOM 854 C ALA A 56 -1.886 -6.430 -21.499 1.00 52.12 C ATOM 855 O ALA A 56 -0.990 -6.248 -22.322 1.00 40.13 O ATOM 856 CB ALA A 56 -1.883 -7.818 -19.419 1.00 22.50 C ATOM 0 HA ALA A 56 -3.189 -8.067 -21.095 1.00 72.10 H new ATOM 0 HB1 ALA A 56 -2.505 -7.061 -18.941 1.00 22.50 H new ATOM 0 HB2 ALA A 56 -2.125 -8.799 -19.009 1.00 22.50 H new ATOM 0 HB3 ALA A 56 -0.833 -7.596 -19.232 1.00 22.50 H new ATOM 862 N ARG A 57 -2.680 -5.456 -21.066 1.00 40.54 N ATOM 863 CA ARG A 57 -2.538 -4.085 -21.545 1.00 74.32 C ATOM 864 C ARG A 57 -2.409 -3.111 -20.378 1.00 24.42 C ATOM 865 O ARG A 57 -2.737 -3.444 -19.239 1.00 62.04 O ATOM 866 CB ARG A 57 -3.738 -3.701 -22.414 1.00 44.05 C ATOM 867 CG ARG A 57 -4.982 -4.529 -22.135 1.00 52.23 C ATOM 868 CD ARG A 57 -5.498 -4.302 -20.723 1.00 53.15 C ATOM 869 NE ARG A 57 -6.830 -3.702 -20.717 1.00 52.13 N ATOM 870 CZ ARG A 57 -7.046 -2.393 -20.782 1.00 23.15 C ATOM 871 NH1 ARG A 57 -6.024 -1.552 -20.856 1.00 14.31 N ATOM 872 NH2 ARG A 57 -8.288 -1.923 -20.771 1.00 24.32 N ATOM 0 H ARG A 57 -3.428 -5.590 -20.385 1.00 40.54 H new ATOM 0 HA ARG A 57 -1.629 -4.028 -22.144 1.00 74.32 H new ATOM 0 HB2 ARG A 57 -3.969 -2.648 -22.254 1.00 44.05 H new ATOM 0 HB3 ARG A 57 -3.466 -3.812 -23.464 1.00 44.05 H new ATOM 0 HG2 ARG A 57 -5.760 -4.272 -22.854 1.00 52.23 H new ATOM 0 HG3 ARG A 57 -4.756 -5.586 -22.275 1.00 52.23 H new ATOM 0 HD2 ARG A 57 -5.526 -5.252 -20.190 1.00 53.15 H new ATOM 0 HD3 ARG A 57 -4.806 -3.655 -20.184 1.00 53.15 H new ATOM 0 HE ARG A 57 -7.638 -4.322 -20.660 1.00 52.13 H new ATOM 0 HH11 ARG A 57 -5.069 -1.910 -20.863 1.00 14.31 H new ATOM 0 HH12 ARG A 57 -6.193 -0.547 -20.906 1.00 14.31 H new ATOM 0 HH21 ARG A 57 -9.077 -2.567 -20.713 1.00 24.32 H new ATOM 0 HH22 ARG A 57 -8.453 -0.918 -20.821 1.00 24.32 H new ATOM 886 N VAL A 58 -1.927 -1.907 -20.669 1.00 75.40 N ATOM 887 CA VAL A 58 -1.755 -0.884 -19.645 1.00 11.02 C ATOM 888 C VAL A 58 -2.808 0.209 -19.777 1.00 12.32 C ATOM 889 O VAL A 58 -3.035 0.741 -20.865 1.00 1.13 O ATOM 890 CB VAL A 58 -0.356 -0.245 -19.720 1.00 63.05 C ATOM 891 CG1 VAL A 58 -0.348 1.107 -19.025 1.00 1.11 C ATOM 892 CG2 VAL A 58 0.686 -1.172 -19.112 1.00 45.00 C ATOM 0 H VAL A 58 -1.649 -1.616 -21.606 1.00 75.40 H new ATOM 0 HA VAL A 58 -1.869 -1.379 -18.681 1.00 11.02 H new ATOM 0 HB VAL A 58 -0.103 -0.089 -20.769 1.00 63.05 H new ATOM 0 HG11 VAL A 58 0.649 1.543 -19.089 1.00 1.11 H new ATOM 0 HG12 VAL A 58 -1.065 1.769 -19.510 1.00 1.11 H new ATOM 0 HG13 VAL A 58 -0.622 0.979 -17.978 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.669 -0.705 -19.173 1.00 45.00 H new ATOM 0 HG22 VAL A 58 0.439 -1.362 -18.067 1.00 45.00 H new ATOM 0 HG23 VAL A 58 0.698 -2.115 -19.659 1.00 45.00 H new ATOM 902 N LEU A 59 -3.451 0.542 -18.663 1.00 32.15 N ATOM 903 CA LEU A 59 -4.482 1.574 -18.653 1.00 12.14 C ATOM 904 C LEU A 59 -3.876 2.951 -18.899 1.00 51.43 C ATOM 905 O LEU A 59 -2.687 3.183 -18.679 1.00 30.45 O ATOM 906 CB LEU A 59 -5.228 1.564 -17.317 1.00 32.21 C ATOM 907 CG LEU A 59 -6.224 0.422 -17.113 1.00 24.34 C ATOM 908 CD1 LEU A 59 -6.524 0.234 -15.633 1.00 62.43 C ATOM 909 CD2 LEU A 59 -7.505 0.687 -17.888 1.00 74.32 C ATOM 0 H LEU A 59 -3.276 0.112 -17.755 1.00 32.15 H new ATOM 0 HA LEU A 59 -5.186 1.358 -19.457 1.00 12.14 H new ATOM 0 HB2 LEU A 59 -4.493 1.526 -16.513 1.00 32.21 H new ATOM 0 HB3 LEU A 59 -5.763 2.508 -17.215 1.00 32.21 H new ATOM 0 HG LEU A 59 -5.777 -0.497 -17.492 1.00 24.34 H new ATOM 0 HD11 LEU A 59 -7.235 -0.583 -15.507 1.00 62.43 H new ATOM 0 HD12 LEU A 59 -5.602 -0.002 -15.102 1.00 62.43 H new ATOM 0 HD13 LEU A 59 -6.951 1.152 -15.229 1.00 62.43 H new ATOM 0 HD21 LEU A 59 -8.202 -0.136 -17.731 1.00 74.32 H new ATOM 0 HD22 LEU A 59 -7.956 1.616 -17.539 1.00 74.32 H new ATOM 0 HD23 LEU A 59 -7.277 0.771 -18.950 1.00 74.32 H new ATOM 921 N PRO A 60 -4.712 3.891 -19.368 1.00 63.20 N ATOM 922 CA PRO A 60 -4.281 5.262 -19.652 1.00 63.34 C ATOM 923 C PRO A 60 -3.957 6.043 -18.383 1.00 50.34 C ATOM 924 O PRO A 60 -3.219 7.027 -18.420 1.00 62.31 O ATOM 925 CB PRO A 60 -5.491 5.874 -20.364 1.00 5.21 C ATOM 926 CG PRO A 60 -6.656 5.080 -19.879 1.00 44.12 C ATOM 927 CD PRO A 60 -6.141 3.685 -19.655 1.00 53.21 C ATOM 0 HA PRO A 60 -3.365 5.287 -20.242 1.00 63.34 H new ATOM 0 HB2 PRO A 60 -5.602 6.930 -20.119 1.00 5.21 H new ATOM 0 HB3 PRO A 60 -5.389 5.807 -21.447 1.00 5.21 H new ATOM 0 HG2 PRO A 60 -7.058 5.500 -18.957 1.00 44.12 H new ATOM 0 HG3 PRO A 60 -7.464 5.085 -20.611 1.00 44.12 H new ATOM 0 HD2 PRO A 60 -6.651 3.197 -18.825 1.00 53.21 H new ATOM 0 HD3 PRO A 60 -6.288 3.057 -20.533 1.00 53.21 H new ATOM 935 N ASN A 61 -4.514 5.598 -17.262 1.00 14.55 N ATOM 936 CA ASN A 61 -4.286 6.257 -15.982 1.00 5.20 C ATOM 937 C ASN A 61 -2.984 5.775 -15.347 1.00 63.04 C ATOM 938 O ASN A 61 -2.622 6.198 -14.250 1.00 73.22 O ATOM 939 CB ASN A 61 -5.457 5.994 -15.032 1.00 65.23 C ATOM 940 CG ASN A 61 -5.755 4.515 -14.879 1.00 12.21 C ATOM 941 OD1 ASN A 61 -5.094 3.812 -14.116 1.00 22.02 O ATOM 942 ND2 ASN A 61 -6.757 4.036 -15.608 1.00 12.11 N ATOM 0 H ASN A 61 -5.126 4.784 -17.214 1.00 14.55 H new ATOM 0 HA ASN A 61 -4.208 7.329 -16.163 1.00 5.20 H new ATOM 0 HB2 ASN A 61 -5.231 6.420 -14.054 1.00 65.23 H new ATOM 0 HB3 ASN A 61 -6.345 6.504 -15.404 1.00 65.23 H new ATOM 0 HD21 ASN A 61 -7.005 3.048 -15.548 1.00 12.11 H new ATOM 0 HD22 ASN A 61 -7.278 4.656 -16.228 1.00 12.11 H new ATOM 949 N GLY A 62 -2.284 4.887 -16.048 1.00 15.41 N ATOM 950 CA GLY A 62 -1.030 4.363 -15.539 1.00 21.12 C ATOM 951 C GLY A 62 -1.218 3.091 -14.735 1.00 12.01 C ATOM 952 O GLY A 62 -0.448 2.810 -13.816 1.00 14.24 O ATOM 0 H GLY A 62 -2.563 4.522 -16.959 1.00 15.41 H new ATOM 0 HA2 GLY A 62 -0.357 4.166 -16.373 1.00 21.12 H new ATOM 0 HA3 GLY A 62 -0.551 5.117 -14.914 1.00 21.12 H new ATOM 956 N SER A 63 -2.244 2.320 -15.081 1.00 42.12 N ATOM 957 CA SER A 63 -2.534 1.074 -14.382 1.00 64.12 C ATOM 958 C SER A 63 -2.304 -0.127 -15.294 1.00 61.20 C ATOM 959 O SER A 63 -1.916 0.024 -16.454 1.00 42.33 O ATOM 960 CB SER A 63 -3.976 1.073 -13.872 1.00 62.23 C ATOM 961 OG SER A 63 -4.069 1.696 -12.603 1.00 41.14 O ATOM 0 H SER A 63 -2.888 2.537 -15.841 1.00 42.12 H new ATOM 0 HA SER A 63 -1.856 0.998 -13.532 1.00 64.12 H new ATOM 0 HB2 SER A 63 -4.617 1.593 -14.584 1.00 62.23 H new ATOM 0 HB3 SER A 63 -4.340 0.048 -13.805 1.00 62.23 H new ATOM 0 HG SER A 63 -4.453 2.592 -12.706 1.00 41.14 H new ATOM 967 N LEU A 64 -2.546 -1.321 -14.763 1.00 11.21 N ATOM 968 CA LEU A 64 -2.366 -2.549 -15.529 1.00 34.54 C ATOM 969 C LEU A 64 -3.606 -3.434 -15.437 1.00 34.30 C ATOM 970 O LEU A 64 -4.102 -3.714 -14.345 1.00 62.52 O ATOM 971 CB LEU A 64 -1.142 -3.314 -15.023 1.00 52.03 C ATOM 972 CG LEU A 64 -1.053 -4.785 -15.432 1.00 42.10 C ATOM 973 CD1 LEU A 64 -0.988 -4.915 -16.946 1.00 22.11 C ATOM 974 CD2 LEU A 64 0.155 -5.445 -14.785 1.00 71.32 C ATOM 0 H LEU A 64 -2.867 -1.464 -13.806 1.00 11.21 H new ATOM 0 HA LEU A 64 -2.211 -2.278 -16.573 1.00 34.54 H new ATOM 0 HB2 LEU A 64 -0.247 -2.804 -15.379 1.00 52.03 H new ATOM 0 HB3 LEU A 64 -1.129 -3.259 -13.934 1.00 52.03 H new ATOM 0 HG LEU A 64 -1.951 -5.295 -15.083 1.00 42.10 H new ATOM 0 HD11 LEU A 64 -0.925 -5.969 -17.218 1.00 22.11 H new ATOM 0 HD12 LEU A 64 -1.884 -4.479 -17.387 1.00 22.11 H new ATOM 0 HD13 LEU A 64 -0.108 -4.391 -17.319 1.00 22.11 H new ATOM 0 HD21 LEU A 64 0.203 -6.491 -15.087 1.00 71.32 H new ATOM 0 HD22 LEU A 64 1.063 -4.933 -15.104 1.00 71.32 H new ATOM 0 HD23 LEU A 64 0.066 -5.384 -13.700 1.00 71.32 H new ATOM 986 N PHE A 65 -4.101 -3.873 -16.590 1.00 63.11 N ATOM 987 CA PHE A 65 -5.281 -4.727 -16.639 1.00 52.03 C ATOM 988 C PHE A 65 -4.987 -6.018 -17.398 1.00 40.25 C ATOM 989 O PHE A 65 -4.344 -6.002 -18.449 1.00 54.22 O ATOM 990 CB PHE A 65 -6.444 -3.987 -17.302 1.00 12.11 C ATOM 991 CG PHE A 65 -7.706 -4.799 -17.378 1.00 63.31 C ATOM 992 CD1 PHE A 65 -7.907 -5.696 -18.414 1.00 40.23 C ATOM 993 CD2 PHE A 65 -8.690 -4.665 -16.412 1.00 31.53 C ATOM 994 CE1 PHE A 65 -9.068 -6.444 -18.487 1.00 4.41 C ATOM 995 CE2 PHE A 65 -9.853 -5.411 -16.478 1.00 71.21 C ATOM 996 CZ PHE A 65 -10.041 -6.302 -17.517 1.00 12.11 C ATOM 0 H PHE A 65 -3.703 -3.651 -17.502 1.00 63.11 H new ATOM 0 HA PHE A 65 -5.557 -4.982 -15.616 1.00 52.03 H new ATOM 0 HB2 PHE A 65 -6.644 -3.070 -16.747 1.00 12.11 H new ATOM 0 HB3 PHE A 65 -6.150 -3.692 -18.309 1.00 12.11 H new ATOM 0 HD1 PHE A 65 -7.148 -5.813 -19.174 1.00 40.23 H new ATOM 0 HD2 PHE A 65 -8.547 -3.970 -15.598 1.00 31.53 H new ATOM 0 HE1 PHE A 65 -9.214 -7.138 -19.301 1.00 4.41 H new ATOM 0 HE2 PHE A 65 -10.613 -5.297 -15.719 1.00 71.21 H new ATOM 0 HZ PHE A 65 -10.947 -6.887 -17.571 1.00 12.11 H new ATOM 1006 N LEU A 66 -5.460 -7.136 -16.858 1.00 14.32 N ATOM 1007 CA LEU A 66 -5.248 -8.436 -17.483 1.00 73.33 C ATOM 1008 C LEU A 66 -6.575 -9.060 -17.906 1.00 64.31 C ATOM 1009 O LEU A 66 -7.494 -9.229 -17.104 1.00 42.04 O ATOM 1010 CB LEU A 66 -4.515 -9.373 -16.521 1.00 50.12 C ATOM 1011 CG LEU A 66 -3.037 -9.065 -16.281 1.00 5.32 C ATOM 1012 CD1 LEU A 66 -2.885 -7.830 -15.405 1.00 75.35 C ATOM 1013 CD2 LEU A 66 -2.340 -10.259 -15.645 1.00 61.32 C ATOM 0 H LEU A 66 -5.993 -7.168 -15.989 1.00 14.32 H new ATOM 0 HA LEU A 66 -4.637 -8.288 -18.373 1.00 73.33 H new ATOM 0 HB2 LEU A 66 -5.031 -9.352 -15.561 1.00 50.12 H new ATOM 0 HB3 LEU A 66 -4.596 -10.390 -16.904 1.00 50.12 H new ATOM 0 HG LEU A 66 -2.567 -8.864 -17.244 1.00 5.32 H new ATOM 0 HD11 LEU A 66 -1.826 -7.626 -15.245 1.00 75.35 H new ATOM 0 HD12 LEU A 66 -3.349 -6.975 -15.897 1.00 75.35 H new ATOM 0 HD13 LEU A 66 -3.371 -8.003 -14.445 1.00 75.35 H new ATOM 0 HD21 LEU A 66 -1.289 -10.022 -15.481 1.00 61.32 H new ATOM 0 HD22 LEU A 66 -2.813 -10.490 -14.690 1.00 61.32 H new ATOM 0 HD23 LEU A 66 -2.419 -11.121 -16.307 1.00 61.32 H new ATOM 1025 N PRO A 67 -6.678 -9.413 -19.196 1.00 22.12 N ATOM 1026 CA PRO A 67 -7.887 -10.027 -19.754 1.00 11.30 C ATOM 1027 C PRO A 67 -8.103 -11.448 -19.247 1.00 34.14 C ATOM 1028 O PRO A 67 -9.239 -11.900 -19.103 1.00 42.12 O ATOM 1029 CB PRO A 67 -7.619 -10.032 -21.261 1.00 71.44 C ATOM 1030 CG PRO A 67 -6.133 -10.032 -21.381 1.00 73.42 C ATOM 1031 CD PRO A 67 -5.624 -9.242 -20.209 1.00 45.54 C ATOM 0 HA PRO A 67 -8.788 -9.484 -19.469 1.00 11.30 H new ATOM 0 HB2 PRO A 67 -8.055 -10.910 -21.738 1.00 71.44 H new ATOM 0 HB3 PRO A 67 -8.055 -9.158 -21.744 1.00 71.44 H new ATOM 0 HG2 PRO A 67 -5.740 -11.049 -21.367 1.00 73.42 H new ATOM 0 HG3 PRO A 67 -5.817 -9.582 -22.322 1.00 73.42 H new ATOM 0 HD2 PRO A 67 -4.664 -9.619 -19.857 1.00 45.54 H new ATOM 0 HD3 PRO A 67 -5.479 -8.192 -20.465 1.00 45.54 H new ATOM 1039 N ALA A 68 -7.006 -12.148 -18.976 1.00 54.23 N ATOM 1040 CA ALA A 68 -7.077 -13.518 -18.483 1.00 1.11 C ATOM 1041 C ALA A 68 -5.734 -13.968 -17.919 1.00 42.02 C ATOM 1042 O ALA A 68 -4.810 -14.287 -18.668 1.00 0.34 O ATOM 1043 CB ALA A 68 -7.527 -14.456 -19.592 1.00 50.00 C ATOM 0 H ALA A 68 -6.058 -11.789 -19.090 1.00 54.23 H new ATOM 0 HA ALA A 68 -7.810 -13.550 -17.677 1.00 1.11 H new ATOM 0 HB1 ALA A 68 -7.575 -15.475 -19.209 1.00 50.00 H new ATOM 0 HB2 ALA A 68 -8.513 -14.154 -19.946 1.00 50.00 H new ATOM 0 HB3 ALA A 68 -6.816 -14.412 -20.417 1.00 50.00 H new ATOM 1049 N VAL A 69 -5.630 -13.991 -16.593 1.00 55.41 N ATOM 1050 CA VAL A 69 -4.400 -14.402 -15.929 1.00 71.14 C ATOM 1051 C VAL A 69 -4.177 -15.905 -16.066 1.00 4.53 C ATOM 1052 O VAL A 69 -4.984 -16.707 -15.597 1.00 21.12 O ATOM 1053 CB VAL A 69 -4.417 -14.030 -14.435 1.00 61.31 C ATOM 1054 CG1 VAL A 69 -4.497 -12.521 -14.261 1.00 72.43 C ATOM 1055 CG2 VAL A 69 -5.574 -14.719 -13.728 1.00 71.23 C ATOM 0 H VAL A 69 -6.384 -13.729 -15.958 1.00 55.41 H new ATOM 0 HA VAL A 69 -3.584 -13.871 -16.418 1.00 71.14 H new ATOM 0 HB VAL A 69 -3.487 -14.375 -13.982 1.00 61.31 H new ATOM 0 HG11 VAL A 69 -4.508 -12.277 -13.199 1.00 72.43 H new ATOM 0 HG12 VAL A 69 -3.632 -12.054 -14.731 1.00 72.43 H new ATOM 0 HG13 VAL A 69 -5.409 -12.149 -14.728 1.00 72.43 H new ATOM 0 HG21 VAL A 69 -5.571 -14.445 -12.673 1.00 71.23 H new ATOM 0 HG22 VAL A 69 -6.515 -14.407 -14.181 1.00 71.23 H new ATOM 0 HG23 VAL A 69 -5.467 -15.800 -13.822 1.00 71.23 H new ATOM 1065 N GLY A 70 -3.077 -16.279 -16.711 1.00 42.43 N ATOM 1066 CA GLY A 70 -2.767 -17.684 -16.897 1.00 5.00 C ATOM 1067 C GLY A 70 -1.864 -18.228 -15.808 1.00 21.21 C ATOM 1068 O GLY A 70 -1.148 -17.471 -15.150 1.00 75.50 O ATOM 0 H GLY A 70 -2.394 -15.634 -17.108 1.00 42.43 H new ATOM 0 HA2 GLY A 70 -3.694 -18.258 -16.917 1.00 5.00 H new ATOM 0 HA3 GLY A 70 -2.286 -17.822 -17.866 1.00 5.00 H new ATOM 1072 N ILE A 71 -1.896 -19.543 -15.616 1.00 54.52 N ATOM 1073 CA ILE A 71 -1.075 -20.186 -14.599 1.00 40.23 C ATOM 1074 C ILE A 71 0.396 -19.819 -14.767 1.00 33.02 C ATOM 1075 O ILE A 71 1.138 -19.731 -13.790 1.00 4.13 O ATOM 1076 CB ILE A 71 -1.219 -21.718 -14.646 1.00 72.45 C ATOM 1077 CG1 ILE A 71 -0.934 -22.322 -13.269 1.00 11.32 C ATOM 1078 CG2 ILE A 71 -0.282 -22.306 -15.691 1.00 41.13 C ATOM 1079 CD1 ILE A 71 0.007 -23.505 -13.310 1.00 62.41 C ATOM 0 H ILE A 71 -2.482 -20.183 -16.152 1.00 54.52 H new ATOM 0 HA ILE A 71 -1.429 -19.825 -13.633 1.00 40.23 H new ATOM 0 HB ILE A 71 -2.244 -21.963 -14.925 1.00 72.45 H new ATOM 0 HG12 ILE A 71 -0.509 -21.552 -12.625 1.00 11.32 H new ATOM 0 HG13 ILE A 71 -1.875 -22.633 -12.816 1.00 11.32 H new ATOM 0 HG21 ILE A 71 -0.395 -23.390 -15.712 1.00 41.13 H new ATOM 0 HG22 ILE A 71 -0.527 -21.896 -16.671 1.00 41.13 H new ATOM 0 HG23 ILE A 71 0.748 -22.054 -15.439 1.00 41.13 H new ATOM 0 HD11 ILE A 71 0.163 -23.881 -12.299 1.00 62.41 H new ATOM 0 HD12 ILE A 71 -0.425 -24.292 -13.927 1.00 62.41 H new ATOM 0 HD13 ILE A 71 0.963 -23.195 -13.733 1.00 62.41 H new ATOM 1091 N GLN A 72 0.808 -19.604 -16.011 1.00 75.00 N ATOM 1092 CA GLN A 72 2.190 -19.245 -16.308 1.00 3.45 C ATOM 1093 C GLN A 72 2.462 -17.788 -15.948 1.00 44.34 C ATOM 1094 O GLN A 72 3.606 -17.400 -15.712 1.00 64.15 O ATOM 1095 CB GLN A 72 2.497 -19.484 -17.786 1.00 15.01 C ATOM 1096 CG GLN A 72 2.283 -20.923 -18.227 1.00 22.34 C ATOM 1097 CD GLN A 72 2.423 -21.101 -19.725 1.00 71.33 C ATOM 1098 OE1 GLN A 72 1.430 -21.174 -20.450 1.00 53.22 O ATOM 1099 NE2 GLN A 72 3.662 -21.174 -20.201 1.00 4.23 N ATOM 0 H GLN A 72 0.205 -19.672 -16.831 1.00 75.00 H new ATOM 0 HA GLN A 72 2.841 -19.878 -15.704 1.00 3.45 H new ATOM 0 HB2 GLN A 72 1.867 -18.830 -18.390 1.00 15.01 H new ATOM 0 HB3 GLN A 72 3.531 -19.202 -17.984 1.00 15.01 H new ATOM 0 HG2 GLN A 72 3.003 -21.565 -17.720 1.00 22.34 H new ATOM 0 HG3 GLN A 72 1.290 -21.250 -17.917 1.00 22.34 H new ATOM 0 HE21 GLN A 72 4.457 -21.109 -19.565 1.00 4.23 H new ATOM 0 HE22 GLN A 72 3.818 -21.295 -21.202 1.00 4.23 H new ATOM 1108 N ASP A 73 1.404 -16.986 -15.909 1.00 40.23 N ATOM 1109 CA ASP A 73 1.529 -15.570 -15.578 1.00 31.45 C ATOM 1110 C ASP A 73 1.756 -15.381 -14.082 1.00 11.43 C ATOM 1111 O ASP A 73 1.981 -14.264 -13.616 1.00 32.31 O ATOM 1112 CB ASP A 73 0.277 -14.810 -16.017 1.00 1.15 C ATOM 1113 CG ASP A 73 0.461 -14.113 -17.350 1.00 52.43 C ATOM 1114 OD1 ASP A 73 0.822 -14.795 -18.332 1.00 4.33 O ATOM 1115 OD2 ASP A 73 0.245 -12.884 -17.412 1.00 2.30 O ATOM 0 H ASP A 73 0.450 -17.291 -16.102 1.00 40.23 H new ATOM 0 HA ASP A 73 2.392 -15.171 -16.111 1.00 31.45 H new ATOM 0 HB2 ASP A 73 -0.560 -15.504 -16.086 1.00 1.15 H new ATOM 0 HB3 ASP A 73 0.018 -14.072 -15.257 1.00 1.15 H new ATOM 1120 N GLU A 74 1.694 -16.479 -13.334 1.00 51.53 N ATOM 1121 CA GLU A 74 1.891 -16.431 -11.891 1.00 11.13 C ATOM 1122 C GLU A 74 3.333 -16.070 -11.550 1.00 42.34 C ATOM 1123 O GLU A 74 4.269 -16.505 -12.220 1.00 52.44 O ATOM 1124 CB GLU A 74 1.528 -17.777 -11.260 1.00 4.24 C ATOM 1125 CG GLU A 74 2.592 -18.845 -11.448 1.00 14.13 C ATOM 1126 CD GLU A 74 3.449 -19.039 -10.213 1.00 5.24 C ATOM 1127 OE1 GLU A 74 2.879 -19.152 -9.107 1.00 33.33 O ATOM 1128 OE2 GLU A 74 4.690 -19.078 -10.350 1.00 20.30 O ATOM 0 H GLU A 74 1.509 -17.411 -13.704 1.00 51.53 H new ATOM 0 HA GLU A 74 1.236 -15.659 -11.486 1.00 11.13 H new ATOM 0 HB2 GLU A 74 1.354 -17.633 -10.194 1.00 4.24 H new ATOM 0 HB3 GLU A 74 0.591 -18.130 -11.691 1.00 4.24 H new ATOM 0 HG2 GLU A 74 2.112 -19.789 -11.704 1.00 14.13 H new ATOM 0 HG3 GLU A 74 3.230 -18.573 -12.289 1.00 14.13 H new ATOM 1135 N GLY A 75 3.506 -15.271 -10.502 1.00 2.54 N ATOM 1136 CA GLY A 75 4.837 -14.863 -10.090 1.00 34.33 C ATOM 1137 C GLY A 75 4.833 -13.555 -9.325 1.00 74.02 C ATOM 1138 O GLY A 75 3.967 -13.326 -8.479 1.00 4.13 O ATOM 0 H GLY A 75 2.748 -14.898 -9.930 1.00 2.54 H new ATOM 0 HA2 GLY A 75 5.276 -15.643 -9.468 1.00 34.33 H new ATOM 0 HA3 GLY A 75 5.472 -14.763 -10.971 1.00 34.33 H new ATOM 1142 N ILE A 76 5.801 -12.695 -9.621 1.00 52.31 N ATOM 1143 CA ILE A 76 5.905 -11.403 -8.955 1.00 42.33 C ATOM 1144 C ILE A 76 5.874 -10.259 -9.963 1.00 34.23 C ATOM 1145 O ILE A 76 6.643 -10.243 -10.924 1.00 61.40 O ATOM 1146 CB ILE A 76 7.196 -11.302 -8.122 1.00 2.25 C ATOM 1147 CG1 ILE A 76 7.140 -12.266 -6.935 1.00 71.04 C ATOM 1148 CG2 ILE A 76 7.405 -9.874 -7.640 1.00 41.12 C ATOM 1149 CD1 ILE A 76 7.885 -13.561 -7.174 1.00 4.01 C ATOM 0 H ILE A 76 6.525 -12.870 -10.318 1.00 52.31 H new ATOM 0 HA ILE A 76 5.045 -11.321 -8.290 1.00 42.33 H new ATOM 0 HB ILE A 76 8.040 -11.580 -8.753 1.00 2.25 H new ATOM 0 HG12 ILE A 76 7.557 -11.773 -6.057 1.00 71.04 H new ATOM 0 HG13 ILE A 76 6.098 -12.492 -6.709 1.00 71.04 H new ATOM 0 HG21 ILE A 76 8.322 -9.819 -7.053 1.00 41.12 H new ATOM 0 HG22 ILE A 76 7.484 -9.208 -8.499 1.00 41.12 H new ATOM 0 HG23 ILE A 76 6.559 -9.571 -7.022 1.00 41.12 H new ATOM 0 HD11 ILE A 76 7.803 -14.196 -6.292 1.00 4.01 H new ATOM 0 HD12 ILE A 76 7.454 -14.076 -8.033 1.00 4.01 H new ATOM 0 HD13 ILE A 76 8.935 -13.346 -7.370 1.00 4.01 H new ATOM 1161 N PHE A 77 4.978 -9.303 -9.738 1.00 23.42 N ATOM 1162 CA PHE A 77 4.847 -8.155 -10.627 1.00 11.34 C ATOM 1163 C PHE A 77 5.456 -6.906 -9.995 1.00 55.31 C ATOM 1164 O PHE A 77 5.379 -6.711 -8.782 1.00 53.24 O ATOM 1165 CB PHE A 77 3.373 -7.906 -10.958 1.00 2.51 C ATOM 1166 CG PHE A 77 2.785 -8.933 -11.882 1.00 31.13 C ATOM 1167 CD1 PHE A 77 2.663 -10.254 -11.483 1.00 22.44 C ATOM 1168 CD2 PHE A 77 2.354 -8.578 -13.149 1.00 34.31 C ATOM 1169 CE1 PHE A 77 2.122 -11.202 -12.331 1.00 45.23 C ATOM 1170 CE2 PHE A 77 1.812 -9.522 -14.002 1.00 53.31 C ATOM 1171 CZ PHE A 77 1.695 -10.835 -13.592 1.00 63.25 C ATOM 0 H PHE A 77 4.333 -9.301 -8.948 1.00 23.42 H new ATOM 0 HA PHE A 77 5.387 -8.375 -11.548 1.00 11.34 H new ATOM 0 HB2 PHE A 77 2.798 -7.891 -10.032 1.00 2.51 H new ATOM 0 HB3 PHE A 77 3.272 -6.920 -11.412 1.00 2.51 H new ATOM 0 HD1 PHE A 77 2.995 -10.547 -10.498 1.00 22.44 H new ATOM 0 HD2 PHE A 77 2.442 -7.552 -13.475 1.00 34.31 H new ATOM 0 HE1 PHE A 77 2.033 -12.229 -12.008 1.00 45.23 H new ATOM 0 HE2 PHE A 77 1.481 -9.232 -14.988 1.00 53.31 H new ATOM 0 HZ PHE A 77 1.270 -11.574 -14.256 1.00 63.25 H new ATOM 1181 N ARG A 78 6.060 -6.065 -10.828 1.00 0.33 N ATOM 1182 CA ARG A 78 6.684 -4.836 -10.352 1.00 4.24 C ATOM 1183 C ARG A 78 6.386 -3.674 -11.296 1.00 32.34 C ATOM 1184 O ARG A 78 6.319 -3.850 -12.512 1.00 32.24 O ATOM 1185 CB ARG A 78 8.196 -5.024 -10.219 1.00 60.52 C ATOM 1186 CG ARG A 78 8.589 -6.306 -9.504 1.00 4.03 C ATOM 1187 CD ARG A 78 8.887 -7.425 -10.488 1.00 71.34 C ATOM 1188 NE ARG A 78 10.316 -7.542 -10.769 1.00 22.53 N ATOM 1189 CZ ARG A 78 10.811 -8.228 -11.794 1.00 13.00 C ATOM 1190 NH1 ARG A 78 9.996 -8.854 -12.632 1.00 2.14 N ATOM 1191 NH2 ARG A 78 12.123 -8.288 -11.983 1.00 10.44 N ATOM 0 H ARG A 78 6.131 -6.212 -11.835 1.00 0.33 H new ATOM 0 HA ARG A 78 6.267 -4.602 -9.372 1.00 4.24 H new ATOM 0 HB2 ARG A 78 8.643 -5.021 -11.213 1.00 60.52 H new ATOM 0 HB3 ARG A 78 8.613 -4.174 -9.679 1.00 60.52 H new ATOM 0 HG2 ARG A 78 9.466 -6.123 -8.883 1.00 4.03 H new ATOM 0 HG3 ARG A 78 7.784 -6.613 -8.836 1.00 4.03 H new ATOM 0 HD2 ARG A 78 8.518 -8.369 -10.086 1.00 71.34 H new ATOM 0 HD3 ARG A 78 8.349 -7.243 -11.418 1.00 71.34 H new ATOM 0 HE ARG A 78 10.970 -7.071 -10.144 1.00 22.53 H new ATOM 0 HH11 ARG A 78 8.987 -8.810 -12.491 1.00 2.14 H new ATOM 0 HH12 ARG A 78 10.378 -9.380 -13.418 1.00 2.14 H new ATOM 0 HH21 ARG A 78 12.753 -7.807 -11.341 1.00 10.44 H new ATOM 0 HH22 ARG A 78 12.501 -8.815 -12.770 1.00 10.44 H new ATOM 1205 N CYS A 79 6.207 -2.487 -10.726 1.00 21.10 N ATOM 1206 CA CYS A 79 5.915 -1.296 -11.514 1.00 62.33 C ATOM 1207 C CYS A 79 6.888 -0.169 -11.178 1.00 73.10 C ATOM 1208 O CYS A 79 7.460 -0.135 -10.089 1.00 74.31 O ATOM 1209 CB CYS A 79 4.478 -0.835 -11.267 1.00 51.21 C ATOM 1210 SG CYS A 79 3.879 0.406 -12.460 1.00 62.12 S ATOM 0 H CYS A 79 6.259 -2.325 -9.720 1.00 21.10 H new ATOM 0 HA CYS A 79 6.031 -1.550 -12.567 1.00 62.33 H new ATOM 0 HB2 CYS A 79 3.819 -1.702 -11.300 1.00 51.21 H new ATOM 0 HB3 CYS A 79 4.409 -0.420 -10.262 1.00 51.21 H new ATOM 1215 N GLN A 80 7.069 0.750 -12.121 1.00 53.20 N ATOM 1216 CA GLN A 80 7.972 1.878 -11.924 1.00 75.50 C ATOM 1217 C GLN A 80 7.380 3.158 -12.506 1.00 31.33 C ATOM 1218 O GLN A 80 6.874 3.165 -13.627 1.00 33.34 O ATOM 1219 CB GLN A 80 9.328 1.591 -12.570 1.00 65.21 C ATOM 1220 CG GLN A 80 9.937 2.796 -13.271 1.00 34.54 C ATOM 1221 CD GLN A 80 11.344 2.532 -13.768 1.00 42.15 C ATOM 1222 OE1 GLN A 80 11.915 1.471 -13.517 1.00 70.51 O ATOM 1223 NE2 GLN A 80 11.913 3.500 -14.477 1.00 14.42 N ATOM 0 H GLN A 80 6.603 0.736 -13.028 1.00 53.20 H new ATOM 0 HA GLN A 80 8.110 2.018 -10.852 1.00 75.50 H new ATOM 0 HB2 GLN A 80 10.019 1.240 -11.804 1.00 65.21 H new ATOM 0 HB3 GLN A 80 9.213 0.782 -13.291 1.00 65.21 H new ATOM 0 HG2 GLN A 80 9.305 3.079 -14.113 1.00 34.54 H new ATOM 0 HG3 GLN A 80 9.951 3.642 -12.584 1.00 34.54 H new ATOM 0 HE21 GLN A 80 11.403 4.364 -14.662 1.00 14.42 H new ATOM 0 HE22 GLN A 80 12.860 3.380 -14.837 1.00 14.42 H new ATOM 1232 N ALA A 81 7.446 4.238 -11.734 1.00 51.54 N ATOM 1233 CA ALA A 81 6.918 5.523 -12.174 1.00 45.14 C ATOM 1234 C ALA A 81 7.932 6.641 -11.945 1.00 34.44 C ATOM 1235 O ALA A 81 8.881 6.481 -11.180 1.00 43.33 O ATOM 1236 CB ALA A 81 5.616 5.834 -11.452 1.00 22.13 C ATOM 0 H ALA A 81 7.860 4.248 -10.802 1.00 51.54 H new ATOM 0 HA ALA A 81 6.721 5.459 -13.244 1.00 45.14 H new ATOM 0 HB1 ALA A 81 5.233 6.797 -11.791 1.00 22.13 H new ATOM 0 HB2 ALA A 81 4.884 5.056 -11.670 1.00 22.13 H new ATOM 0 HB3 ALA A 81 5.796 5.873 -10.378 1.00 22.13 H new ATOM 1242 N MET A 82 7.721 7.769 -12.615 1.00 3.42 N ATOM 1243 CA MET A 82 8.617 8.913 -12.482 1.00 34.10 C ATOM 1244 C MET A 82 7.831 10.189 -12.197 1.00 52.11 C ATOM 1245 O MET A 82 6.922 10.549 -12.943 1.00 51.23 O ATOM 1246 CB MET A 82 9.448 9.086 -13.755 1.00 72.13 C ATOM 1247 CG MET A 82 10.481 7.990 -13.960 1.00 51.34 C ATOM 1248 SD MET A 82 12.045 8.621 -14.598 1.00 73.11 S ATOM 1249 CE MET A 82 12.989 8.779 -13.084 1.00 51.45 C ATOM 0 H MET A 82 6.940 7.916 -13.254 1.00 3.42 H new ATOM 0 HA MET A 82 9.286 8.724 -11.642 1.00 34.10 H new ATOM 0 HB2 MET A 82 8.779 9.109 -14.615 1.00 72.13 H new ATOM 0 HB3 MET A 82 9.955 10.050 -13.720 1.00 72.13 H new ATOM 0 HG2 MET A 82 10.658 7.481 -13.012 1.00 51.34 H new ATOM 0 HG3 MET A 82 10.084 7.247 -14.652 1.00 51.34 H new ATOM 0 HE1 MET A 82 13.808 9.482 -13.238 1.00 51.45 H new ATOM 0 HE2 MET A 82 12.341 9.145 -12.288 1.00 51.45 H new ATOM 0 HE3 MET A 82 13.393 7.806 -12.804 1.00 51.45 H new ATOM 1259 N ASN A 83 8.188 10.868 -11.111 1.00 33.23 N ATOM 1260 CA ASN A 83 7.515 12.103 -10.727 1.00 11.31 C ATOM 1261 C ASN A 83 8.217 13.315 -11.331 1.00 4.43 C ATOM 1262 O ASN A 83 9.289 13.194 -11.923 1.00 25.32 O ATOM 1263 CB ASN A 83 7.470 12.231 -9.203 1.00 41.42 C ATOM 1264 CG ASN A 83 6.310 11.471 -8.592 1.00 34.15 C ATOM 1265 OD1 ASN A 83 5.277 12.055 -8.259 1.00 30.40 O ATOM 1266 ND2 ASN A 83 6.473 10.162 -8.443 1.00 2.25 N ATOM 0 H ASN A 83 8.939 10.584 -10.482 1.00 33.23 H new ATOM 0 HA ASN A 83 6.496 12.067 -11.112 1.00 11.31 H new ATOM 0 HB2 ASN A 83 8.405 11.861 -8.783 1.00 41.42 H new ATOM 0 HB3 ASN A 83 7.394 13.284 -8.932 1.00 41.42 H new ATOM 0 HD21 ASN A 83 5.726 9.598 -8.039 1.00 2.25 H new ATOM 0 HD22 ASN A 83 7.346 9.720 -8.733 1.00 2.25 H new ATOM 1273 N ARG A 84 7.604 14.485 -11.177 1.00 34.03 N ATOM 1274 CA ARG A 84 8.169 15.719 -11.707 1.00 42.53 C ATOM 1275 C ARG A 84 9.398 16.142 -10.906 1.00 52.40 C ATOM 1276 O ARG A 84 10.211 16.939 -11.374 1.00 24.44 O ATOM 1277 CB ARG A 84 7.123 16.836 -11.685 1.00 63.22 C ATOM 1278 CG ARG A 84 6.815 17.354 -10.289 1.00 71.52 C ATOM 1279 CD ARG A 84 5.531 18.168 -10.269 1.00 72.41 C ATOM 1280 NE ARG A 84 5.740 19.532 -10.742 1.00 52.54 N ATOM 1281 CZ ARG A 84 6.244 20.503 -9.988 1.00 25.02 C ATOM 1282 NH1 ARG A 84 6.589 20.258 -8.730 1.00 74.14 N ATOM 1283 NH2 ARG A 84 6.405 21.720 -10.490 1.00 41.40 N ATOM 0 H ARG A 84 6.716 14.603 -10.689 1.00 34.03 H new ATOM 0 HA ARG A 84 8.473 15.536 -12.738 1.00 42.53 H new ATOM 0 HB2 ARG A 84 7.474 17.664 -12.301 1.00 63.22 H new ATOM 0 HB3 ARG A 84 6.202 16.469 -12.139 1.00 63.22 H new ATOM 0 HG2 ARG A 84 6.726 16.515 -9.599 1.00 71.52 H new ATOM 0 HG3 ARG A 84 7.643 17.969 -9.937 1.00 71.52 H new ATOM 0 HD2 ARG A 84 4.782 17.679 -10.892 1.00 72.41 H new ATOM 0 HD3 ARG A 84 5.134 18.193 -9.254 1.00 72.41 H new ATOM 0 HE ARG A 84 5.485 19.753 -11.705 1.00 52.54 H new ATOM 0 HH11 ARG A 84 6.467 19.323 -8.341 1.00 74.14 H new ATOM 0 HH12 ARG A 84 6.976 21.005 -8.153 1.00 74.14 H new ATOM 0 HH21 ARG A 84 6.142 21.912 -11.457 1.00 41.40 H new ATOM 0 HH22 ARG A 84 6.792 22.464 -9.909 1.00 41.40 H new ATOM 1297 N ASN A 85 9.524 15.605 -9.697 1.00 13.31 N ATOM 1298 CA ASN A 85 10.652 15.928 -8.831 1.00 33.32 C ATOM 1299 C ASN A 85 11.925 15.246 -9.320 1.00 64.23 C ATOM 1300 O ASN A 85 13.034 15.663 -8.985 1.00 14.55 O ATOM 1301 CB ASN A 85 10.353 15.503 -7.391 1.00 52.14 C ATOM 1302 CG ASN A 85 9.321 16.394 -6.728 1.00 11.41 C ATOM 1303 OD1 ASN A 85 9.662 17.291 -5.957 1.00 51.35 O ATOM 1304 ND2 ASN A 85 8.050 16.149 -7.025 1.00 55.33 N ATOM 0 H ASN A 85 8.859 14.944 -9.295 1.00 13.31 H new ATOM 0 HA ASN A 85 10.805 17.007 -8.861 1.00 33.32 H new ATOM 0 HB2 ASN A 85 9.997 14.473 -7.386 1.00 52.14 H new ATOM 0 HB3 ASN A 85 11.275 15.525 -6.810 1.00 52.14 H new ATOM 0 HD21 ASN A 85 7.311 16.715 -6.609 1.00 55.33 H new ATOM 0 HD22 ASN A 85 7.813 15.395 -7.670 1.00 55.33 H new ATOM 1311 N GLY A 86 11.760 14.195 -10.116 1.00 34.51 N ATOM 1312 CA GLY A 86 12.904 13.472 -10.640 1.00 45.31 C ATOM 1313 C GLY A 86 13.061 12.101 -10.013 1.00 31.11 C ATOM 1314 O GLY A 86 13.794 11.255 -10.527 1.00 3.15 O ATOM 0 H GLY A 86 10.853 13.831 -10.408 1.00 34.51 H new ATOM 0 HA2 GLY A 86 12.798 13.364 -11.720 1.00 45.31 H new ATOM 0 HA3 GLY A 86 13.809 14.054 -10.465 1.00 45.31 H new ATOM 1318 N LYS A 87 12.371 11.879 -8.899 1.00 2.53 N ATOM 1319 CA LYS A 87 12.436 10.601 -8.200 1.00 73.23 C ATOM 1320 C LYS A 87 11.447 9.604 -8.796 1.00 5.32 C ATOM 1321 O LYS A 87 10.368 9.983 -9.249 1.00 11.22 O ATOM 1322 CB LYS A 87 12.145 10.796 -6.710 1.00 10.43 C ATOM 1323 CG LYS A 87 13.127 11.723 -6.015 1.00 21.13 C ATOM 1324 CD LYS A 87 14.312 10.957 -5.449 1.00 52.34 C ATOM 1325 CE LYS A 87 15.359 10.683 -6.518 1.00 30.14 C ATOM 1326 NZ LYS A 87 16.729 10.592 -5.940 1.00 74.43 N ATOM 0 H LYS A 87 11.760 12.568 -8.461 1.00 2.53 H new ATOM 0 HA LYS A 87 13.443 10.201 -8.318 1.00 73.23 H new ATOM 0 HB2 LYS A 87 11.137 11.195 -6.594 1.00 10.43 H new ATOM 0 HB3 LYS A 87 12.162 9.825 -6.215 1.00 10.43 H new ATOM 0 HG2 LYS A 87 13.482 12.474 -6.721 1.00 21.13 H new ATOM 0 HG3 LYS A 87 12.619 12.256 -5.211 1.00 21.13 H new ATOM 0 HD2 LYS A 87 14.761 11.528 -4.636 1.00 52.34 H new ATOM 0 HD3 LYS A 87 13.968 10.014 -5.025 1.00 52.34 H new ATOM 0 HE2 LYS A 87 15.119 9.752 -7.032 1.00 30.14 H new ATOM 0 HE3 LYS A 87 15.332 11.476 -7.265 1.00 30.14 H new ATOM 0 HZ1 LYS A 87 17.414 10.405 -6.699 1.00 74.43 H new ATOM 0 HZ2 LYS A 87 16.968 11.489 -5.471 1.00 74.43 H new ATOM 0 HZ3 LYS A 87 16.762 9.819 -5.245 1.00 74.43 H new ATOM 1340 N GLU A 88 11.824 8.329 -8.790 1.00 14.43 N ATOM 1341 CA GLU A 88 10.968 7.279 -9.330 1.00 50.22 C ATOM 1342 C GLU A 88 10.349 6.451 -8.208 1.00 32.34 C ATOM 1343 O GLU A 88 10.979 6.208 -7.179 1.00 65.11 O ATOM 1344 CB GLU A 88 11.767 6.370 -10.267 1.00 42.33 C ATOM 1345 CG GLU A 88 12.500 5.250 -9.549 1.00 62.15 C ATOM 1346 CD GLU A 88 13.460 5.763 -8.494 1.00 21.14 C ATOM 1347 OE1 GLU A 88 14.243 6.685 -8.803 1.00 24.01 O ATOM 1348 OE2 GLU A 88 13.429 5.242 -7.359 1.00 61.32 O ATOM 0 H GLU A 88 12.715 7.999 -8.418 1.00 14.43 H new ATOM 0 HA GLU A 88 10.165 7.755 -9.893 1.00 50.22 H new ATOM 0 HB2 GLU A 88 11.090 5.936 -11.003 1.00 42.33 H new ATOM 0 HB3 GLU A 88 12.490 6.973 -10.815 1.00 42.33 H new ATOM 0 HG2 GLU A 88 11.773 4.586 -9.081 1.00 62.15 H new ATOM 0 HG3 GLU A 88 13.051 4.656 -10.278 1.00 62.15 H new ATOM 1355 N THR A 89 9.107 6.021 -8.413 1.00 65.31 N ATOM 1356 CA THR A 89 8.401 5.222 -7.420 1.00 3.25 C ATOM 1357 C THR A 89 8.346 3.755 -7.831 1.00 53.30 C ATOM 1358 O THR A 89 8.006 3.431 -8.969 1.00 64.13 O ATOM 1359 CB THR A 89 6.966 5.737 -7.202 1.00 22.04 C ATOM 1360 OG1 THR A 89 6.901 7.140 -7.482 1.00 1.22 O ATOM 1361 CG2 THR A 89 6.509 5.478 -5.775 1.00 1.35 C ATOM 0 H THR A 89 8.570 6.213 -9.259 1.00 65.31 H new ATOM 0 HA THR A 89 8.958 5.314 -6.487 1.00 3.25 H new ATOM 0 HB THR A 89 6.304 5.200 -7.882 1.00 22.04 H new ATOM 0 HG1 THR A 89 6.324 7.579 -6.823 1.00 1.22 H new ATOM 0 HG21 THR A 89 5.493 5.850 -5.645 1.00 1.35 H new ATOM 0 HG22 THR A 89 6.531 4.407 -5.575 1.00 1.35 H new ATOM 0 HG23 THR A 89 7.175 5.991 -5.081 1.00 1.35 H new ATOM 1369 N LYS A 90 8.682 2.871 -6.898 1.00 21.24 N ATOM 1370 CA LYS A 90 8.668 1.437 -7.162 1.00 65.33 C ATOM 1371 C LYS A 90 7.504 0.762 -6.444 1.00 54.33 C ATOM 1372 O LYS A 90 7.131 1.156 -5.340 1.00 54.42 O ATOM 1373 CB LYS A 90 9.990 0.804 -6.719 1.00 71.13 C ATOM 1374 CG LYS A 90 10.636 1.508 -5.538 1.00 74.32 C ATOM 1375 CD LYS A 90 11.545 2.638 -5.993 1.00 4.15 C ATOM 1376 CE LYS A 90 12.682 2.123 -6.862 1.00 43.45 C ATOM 1377 NZ LYS A 90 13.352 0.941 -6.256 1.00 23.23 N ATOM 0 H LYS A 90 8.968 3.123 -5.952 1.00 21.24 H new ATOM 0 HA LYS A 90 8.543 1.292 -8.235 1.00 65.33 H new ATOM 0 HB2 LYS A 90 9.814 -0.239 -6.457 1.00 71.13 H new ATOM 0 HB3 LYS A 90 10.685 0.809 -7.559 1.00 71.13 H new ATOM 0 HG2 LYS A 90 9.862 1.904 -4.881 1.00 74.32 H new ATOM 0 HG3 LYS A 90 11.211 0.789 -4.955 1.00 74.32 H new ATOM 0 HD2 LYS A 90 10.963 3.372 -6.550 1.00 4.15 H new ATOM 0 HD3 LYS A 90 11.954 3.150 -5.122 1.00 4.15 H new ATOM 0 HE2 LYS A 90 12.295 1.856 -7.846 1.00 43.45 H new ATOM 0 HE3 LYS A 90 13.413 2.918 -7.012 1.00 43.45 H new ATOM 0 HZ1 LYS A 90 14.229 0.735 -6.776 1.00 23.23 H new ATOM 0 HZ2 LYS A 90 13.578 1.142 -5.261 1.00 23.23 H new ATOM 0 HZ3 LYS A 90 12.718 0.118 -6.307 1.00 23.23 H new ATOM 1391 N SER A 91 6.936 -0.258 -7.079 1.00 32.22 N ATOM 1392 CA SER A 91 5.811 -0.986 -6.502 1.00 25.12 C ATOM 1393 C SER A 91 5.876 -2.465 -6.870 1.00 60.51 C ATOM 1394 O SER A 91 5.998 -2.819 -8.043 1.00 1.03 O ATOM 1395 CB SER A 91 4.488 -0.386 -6.980 1.00 61.45 C ATOM 1396 OG SER A 91 4.592 1.018 -7.136 1.00 74.01 O ATOM 0 H SER A 91 7.236 -0.599 -7.992 1.00 32.22 H new ATOM 0 HA SER A 91 5.870 -0.897 -5.417 1.00 25.12 H new ATOM 0 HB2 SER A 91 4.201 -0.840 -7.928 1.00 61.45 H new ATOM 0 HB3 SER A 91 3.700 -0.618 -6.264 1.00 61.45 H new ATOM 0 HG SER A 91 4.405 1.258 -8.067 1.00 74.01 H new ATOM 1402 N ASN A 92 5.792 -3.325 -5.860 1.00 50.41 N ATOM 1403 CA ASN A 92 5.841 -4.767 -6.076 1.00 51.45 C ATOM 1404 C ASN A 92 4.534 -5.425 -5.646 1.00 63.44 C ATOM 1405 O ASN A 92 4.093 -5.268 -4.508 1.00 74.23 O ATOM 1406 CB ASN A 92 7.013 -5.379 -5.307 1.00 2.24 C ATOM 1407 CG ASN A 92 7.305 -6.804 -5.736 1.00 51.51 C ATOM 1408 OD1 ASN A 92 8.312 -7.071 -6.393 1.00 32.10 O ATOM 1409 ND2 ASN A 92 6.424 -7.726 -5.367 1.00 51.21 N ATOM 0 H ASN A 92 5.690 -3.048 -4.884 1.00 50.41 H new ATOM 0 HA ASN A 92 5.983 -4.946 -7.142 1.00 51.45 H new ATOM 0 HB2 ASN A 92 7.902 -4.767 -5.459 1.00 2.24 H new ATOM 0 HB3 ASN A 92 6.792 -5.362 -4.240 1.00 2.24 H new ATOM 0 HD21 ASN A 92 6.567 -8.702 -5.628 1.00 51.21 H new ATOM 0 HD22 ASN A 92 5.604 -7.459 -4.823 1.00 51.21 H new ATOM 1416 N TYR A 93 3.921 -6.165 -6.564 1.00 40.43 N ATOM 1417 CA TYR A 93 2.664 -6.847 -6.282 1.00 2.33 C ATOM 1418 C TYR A 93 2.773 -8.338 -6.584 1.00 61.32 C ATOM 1419 O TYR A 93 3.074 -8.734 -7.710 1.00 72.20 O ATOM 1420 CB TYR A 93 1.529 -6.231 -7.102 1.00 4.30 C ATOM 1421 CG TYR A 93 0.906 -5.015 -6.455 1.00 2.32 C ATOM 1422 CD1 TYR A 93 1.672 -3.898 -6.145 1.00 30.50 C ATOM 1423 CD2 TYR A 93 -0.451 -4.983 -6.154 1.00 25.33 C ATOM 1424 CE1 TYR A 93 1.106 -2.785 -5.554 1.00 31.12 C ATOM 1425 CE2 TYR A 93 -1.025 -3.874 -5.563 1.00 61.51 C ATOM 1426 CZ TYR A 93 -0.242 -2.778 -5.264 1.00 33.42 C ATOM 1427 OH TYR A 93 -0.810 -1.671 -4.676 1.00 14.34 O ATOM 0 H TYR A 93 4.275 -6.307 -7.510 1.00 40.43 H new ATOM 0 HA TYR A 93 2.445 -6.725 -5.221 1.00 2.33 H new ATOM 0 HB2 TYR A 93 1.911 -5.954 -8.085 1.00 4.30 H new ATOM 0 HB3 TYR A 93 0.757 -6.984 -7.261 1.00 4.30 H new ATOM 0 HD1 TYR A 93 2.728 -3.900 -6.370 1.00 30.50 H new ATOM 0 HD2 TYR A 93 -1.067 -5.839 -6.386 1.00 25.33 H new ATOM 0 HE1 TYR A 93 1.716 -1.925 -5.320 1.00 31.12 H new ATOM 0 HE2 TYR A 93 -2.081 -3.865 -5.336 1.00 61.51 H new ATOM 0 HH TYR A 93 -1.768 -1.828 -4.540 1.00 14.34 H new ATOM 1437 N ARG A 94 2.527 -9.160 -5.569 1.00 72.31 N ATOM 1438 CA ARG A 94 2.598 -10.609 -5.725 1.00 3.01 C ATOM 1439 C ARG A 94 1.297 -11.158 -6.304 1.00 4.11 C ATOM 1440 O ARG A 94 0.208 -10.807 -5.850 1.00 13.11 O ATOM 1441 CB ARG A 94 2.891 -11.273 -4.378 1.00 72.30 C ATOM 1442 CG ARG A 94 3.973 -10.571 -3.575 1.00 42.32 C ATOM 1443 CD ARG A 94 5.268 -10.457 -4.364 1.00 53.31 C ATOM 1444 NE ARG A 94 6.366 -9.955 -3.543 1.00 25.43 N ATOM 1445 CZ ARG A 94 6.955 -10.667 -2.588 1.00 21.01 C ATOM 1446 NH1 ARG A 94 6.551 -11.905 -2.335 1.00 62.03 N ATOM 1447 NH2 ARG A 94 7.949 -10.141 -1.884 1.00 11.33 N ATOM 0 H ARG A 94 2.277 -8.848 -4.631 1.00 72.31 H new ATOM 0 HA ARG A 94 3.408 -10.836 -6.419 1.00 3.01 H new ATOM 0 HB2 ARG A 94 1.974 -11.301 -3.789 1.00 72.30 H new ATOM 0 HB3 ARG A 94 3.191 -12.307 -4.550 1.00 72.30 H new ATOM 0 HG2 ARG A 94 3.630 -9.576 -3.292 1.00 42.32 H new ATOM 0 HG3 ARG A 94 4.156 -11.120 -2.651 1.00 42.32 H new ATOM 0 HD2 ARG A 94 5.534 -11.434 -4.767 1.00 53.31 H new ATOM 0 HD3 ARG A 94 5.117 -9.792 -5.214 1.00 53.31 H new ATOM 0 HE ARG A 94 6.699 -9.006 -3.712 1.00 25.43 H new ATOM 0 HH11 ARG A 94 5.787 -12.312 -2.874 1.00 62.03 H new ATOM 0 HH12 ARG A 94 7.005 -12.450 -1.602 1.00 62.03 H new ATOM 0 HH21 ARG A 94 8.262 -9.189 -2.076 1.00 11.33 H new ATOM 0 HH22 ARG A 94 8.400 -10.688 -1.151 1.00 11.33 H new ATOM 1461 N VAL A 95 1.420 -12.020 -7.308 1.00 25.33 N ATOM 1462 CA VAL A 95 0.255 -12.619 -7.947 1.00 54.34 C ATOM 1463 C VAL A 95 0.290 -14.139 -7.844 1.00 3.02 C ATOM 1464 O VAL A 95 1.326 -14.763 -8.080 1.00 14.22 O ATOM 1465 CB VAL A 95 0.162 -12.218 -9.433 1.00 25.42 C ATOM 1466 CG1 VAL A 95 -0.950 -12.989 -10.125 1.00 71.11 C ATOM 1467 CG2 VAL A 95 -0.053 -10.718 -9.567 1.00 1.01 C ATOM 0 H VAL A 95 2.315 -12.319 -7.696 1.00 25.33 H new ATOM 0 HA VAL A 95 -0.622 -12.243 -7.420 1.00 54.34 H new ATOM 0 HB VAL A 95 1.104 -12.471 -9.920 1.00 25.42 H new ATOM 0 HG11 VAL A 95 -1.001 -12.693 -11.173 1.00 71.11 H new ATOM 0 HG12 VAL A 95 -0.747 -14.058 -10.059 1.00 71.11 H new ATOM 0 HG13 VAL A 95 -1.901 -12.770 -9.640 1.00 71.11 H new ATOM 0 HG21 VAL A 95 -0.116 -10.452 -10.622 1.00 1.01 H new ATOM 0 HG22 VAL A 95 -0.979 -10.437 -9.066 1.00 1.01 H new ATOM 0 HG23 VAL A 95 0.782 -10.188 -9.109 1.00 1.01 H new ATOM 1477 N ARG A 96 -0.846 -14.730 -7.490 1.00 50.42 N ATOM 1478 CA ARG A 96 -0.945 -16.178 -7.355 1.00 12.55 C ATOM 1479 C ARG A 96 -2.171 -16.710 -8.091 1.00 11.15 C ATOM 1480 O ARG A 96 -3.284 -16.220 -7.900 1.00 2.21 O ATOM 1481 CB ARG A 96 -1.013 -16.569 -5.877 1.00 74.41 C ATOM 1482 CG ARG A 96 0.014 -17.616 -5.477 1.00 55.34 C ATOM 1483 CD ARG A 96 -0.399 -19.006 -5.937 1.00 4.54 C ATOM 1484 NE ARG A 96 0.593 -20.017 -5.581 1.00 75.14 N ATOM 1485 CZ ARG A 96 0.792 -20.448 -4.341 1.00 55.13 C ATOM 1486 NH1 ARG A 96 0.069 -19.959 -3.342 1.00 40.24 N ATOM 1487 NH2 ARG A 96 1.713 -21.370 -4.097 1.00 61.22 N ATOM 0 H ARG A 96 -1.711 -14.228 -7.291 1.00 50.42 H new ATOM 0 HA ARG A 96 -0.055 -16.622 -7.801 1.00 12.55 H new ATOM 0 HB2 ARG A 96 -0.867 -15.678 -5.267 1.00 74.41 H new ATOM 0 HB3 ARG A 96 -2.011 -16.948 -5.655 1.00 74.41 H new ATOM 0 HG2 ARG A 96 0.982 -17.361 -5.909 1.00 55.34 H new ATOM 0 HG3 ARG A 96 0.137 -17.612 -4.394 1.00 55.34 H new ATOM 0 HD2 ARG A 96 -1.358 -19.266 -5.489 1.00 4.54 H new ATOM 0 HD3 ARG A 96 -0.542 -19.003 -7.018 1.00 4.54 H new ATOM 0 HE ARG A 96 1.165 -20.414 -6.326 1.00 75.14 H new ATOM 0 HH11 ARG A 96 -0.641 -19.251 -3.526 1.00 40.24 H new ATOM 0 HH12 ARG A 96 0.224 -20.292 -2.390 1.00 40.24 H new ATOM 0 HH21 ARG A 96 2.270 -21.749 -4.863 1.00 61.22 H new ATOM 0 HH22 ARG A 96 1.864 -21.700 -3.144 1.00 61.22 H new ATOM 1501 N VAL A 97 -1.959 -17.716 -8.933 1.00 32.11 N ATOM 1502 CA VAL A 97 -3.046 -18.316 -9.696 1.00 54.03 C ATOM 1503 C VAL A 97 -3.548 -19.593 -9.030 1.00 42.42 C ATOM 1504 O VAL A 97 -3.078 -19.970 -7.956 1.00 73.31 O ATOM 1505 CB VAL A 97 -2.607 -18.641 -11.137 1.00 15.44 C ATOM 1506 CG1 VAL A 97 -1.999 -17.413 -11.799 1.00 73.40 C ATOM 1507 CG2 VAL A 97 -1.628 -19.803 -11.147 1.00 21.31 C ATOM 0 H VAL A 97 -1.044 -18.133 -9.104 1.00 32.11 H new ATOM 0 HA VAL A 97 -3.853 -17.584 -9.725 1.00 54.03 H new ATOM 0 HB VAL A 97 -3.487 -18.934 -11.709 1.00 15.44 H new ATOM 0 HG11 VAL A 97 -1.695 -17.661 -12.816 1.00 73.40 H new ATOM 0 HG12 VAL A 97 -2.737 -16.611 -11.826 1.00 73.40 H new ATOM 0 HG13 VAL A 97 -1.129 -17.086 -11.230 1.00 73.40 H new ATOM 0 HG21 VAL A 97 -1.329 -20.018 -12.173 1.00 21.31 H new ATOM 0 HG22 VAL A 97 -0.748 -19.542 -10.560 1.00 21.31 H new ATOM 0 HG23 VAL A 97 -2.104 -20.684 -10.716 1.00 21.31 H new ATOM 1517 N TYR A 98 -4.503 -20.254 -9.674 1.00 74.23 N ATOM 1518 CA TYR A 98 -5.069 -21.488 -9.143 1.00 13.25 C ATOM 1519 C TYR A 98 -4.030 -22.604 -9.132 1.00 25.30 C ATOM 1520 O TYR A 98 -3.420 -22.888 -8.101 1.00 12.23 O ATOM 1521 CB TYR A 98 -6.283 -21.915 -9.971 1.00 42.54 C ATOM 1522 CG TYR A 98 -6.837 -23.266 -9.581 1.00 53.30 C ATOM 1523 CD1 TYR A 98 -7.417 -23.468 -8.334 1.00 40.34 C ATOM 1524 CD2 TYR A 98 -6.781 -24.341 -10.459 1.00 35.41 C ATOM 1525 CE1 TYR A 98 -7.925 -24.700 -7.974 1.00 62.34 C ATOM 1526 CE2 TYR A 98 -7.287 -25.577 -10.107 1.00 63.15 C ATOM 1527 CZ TYR A 98 -7.857 -25.752 -8.864 1.00 21.31 C ATOM 1528 OH TYR A 98 -8.361 -26.983 -8.509 1.00 73.13 O ATOM 0 H TYR A 98 -4.901 -19.956 -10.564 1.00 74.23 H new ATOM 0 HA TYR A 98 -5.385 -21.300 -8.117 1.00 13.25 H new ATOM 0 HB2 TYR A 98 -7.067 -21.165 -9.864 1.00 42.54 H new ATOM 0 HB3 TYR A 98 -6.004 -21.936 -11.025 1.00 42.54 H new ATOM 0 HD1 TYR A 98 -7.471 -22.647 -7.635 1.00 40.34 H new ATOM 0 HD2 TYR A 98 -6.334 -24.208 -11.433 1.00 35.41 H new ATOM 0 HE1 TYR A 98 -8.373 -24.840 -7.001 1.00 62.34 H new ATOM 0 HE2 TYR A 98 -7.236 -26.402 -10.802 1.00 63.15 H new ATOM 0 HH TYR A 98 -8.235 -27.614 -9.249 1.00 73.13 H new ATOM 1538 N GLN A 99 -3.834 -23.232 -10.286 1.00 72.30 N ATOM 1539 CA GLN A 99 -2.868 -24.318 -10.410 1.00 53.22 C ATOM 1540 C GLN A 99 -1.456 -23.829 -10.107 1.00 11.51 C ATOM 1541 O GLN A 99 -1.100 -22.694 -10.428 1.00 62.44 O ATOM 1542 CB GLN A 99 -2.921 -24.918 -11.817 1.00 1.24 C ATOM 1543 CG GLN A 99 -3.196 -26.413 -11.830 1.00 30.30 C ATOM 1544 CD GLN A 99 -2.062 -27.221 -11.231 1.00 60.14 C ATOM 1545 OE1 GLN A 99 -1.177 -27.695 -11.946 1.00 13.30 O ATOM 1546 NE2 GLN A 99 -2.080 -27.383 -9.914 1.00 72.13 N ATOM 0 H GLN A 99 -4.331 -23.008 -11.148 1.00 72.30 H new ATOM 0 HA GLN A 99 -3.130 -25.087 -9.684 1.00 53.22 H new ATOM 0 HB2 GLN A 99 -3.695 -24.409 -12.391 1.00 1.24 H new ATOM 0 HB3 GLN A 99 -1.973 -24.727 -12.321 1.00 1.24 H new ATOM 0 HG2 GLN A 99 -4.113 -26.615 -11.276 1.00 30.30 H new ATOM 0 HG3 GLN A 99 -3.366 -26.738 -12.856 1.00 30.30 H new ATOM 0 HE21 GLN A 99 -2.832 -26.973 -9.360 1.00 72.13 H new ATOM 0 HE22 GLN A 99 -1.342 -27.917 -9.456 1.00 72.13 H new ATOM 1555 N ILE A 100 -0.658 -24.689 -9.485 1.00 64.55 N ATOM 1556 CA ILE A 100 0.716 -24.343 -9.139 1.00 72.31 C ATOM 1557 C ILE A 100 1.705 -25.310 -9.782 1.00 0.40 C ATOM 1558 O ILE A 100 1.358 -26.426 -10.169 1.00 3.02 O ATOM 1559 CB ILE A 100 0.930 -24.347 -7.614 1.00 53.25 C ATOM 1560 CG1 ILE A 100 -0.160 -25.171 -6.925 1.00 73.04 C ATOM 1561 CG2 ILE A 100 0.941 -22.922 -7.078 1.00 65.43 C ATOM 1562 CD1 ILE A 100 0.036 -25.305 -5.431 1.00 74.15 C ATOM 0 H ILE A 100 -0.938 -25.630 -9.210 1.00 64.55 H new ATOM 0 HA ILE A 100 0.894 -23.338 -9.520 1.00 72.31 H new ATOM 0 HB ILE A 100 1.896 -24.805 -7.399 1.00 53.25 H new ATOM 0 HG12 ILE A 100 -1.129 -24.709 -7.116 1.00 73.04 H new ATOM 0 HG13 ILE A 100 -0.188 -26.166 -7.370 1.00 73.04 H new ATOM 0 HG21 ILE A 100 1.093 -22.940 -5.999 1.00 65.43 H new ATOM 0 HG22 ILE A 100 1.749 -22.362 -7.549 1.00 65.43 H new ATOM 0 HG23 ILE A 100 -0.011 -22.442 -7.302 1.00 65.43 H new ATOM 0 HD11 ILE A 100 -0.774 -25.901 -5.010 1.00 74.15 H new ATOM 0 HD12 ILE A 100 0.989 -25.795 -5.232 1.00 74.15 H new ATOM 0 HD13 ILE A 100 0.034 -24.316 -4.974 1.00 74.15 H new ATOM 1574 N PRO A 101 2.967 -24.874 -9.898 1.00 64.03 N ATOM 1575 CA PRO A 101 4.034 -25.686 -10.492 1.00 4.12 C ATOM 1576 C PRO A 101 4.421 -26.869 -9.610 1.00 53.02 C ATOM 1577 O PRO A 101 4.690 -27.962 -10.105 1.00 42.24 O ATOM 1578 CB PRO A 101 5.203 -24.704 -10.610 1.00 63.14 C ATOM 1579 CG PRO A 101 4.947 -23.681 -9.559 1.00 25.13 C ATOM 1580 CD PRO A 101 3.452 -23.554 -9.459 1.00 11.00 C ATOM 0 HA PRO A 101 3.730 -26.126 -11.442 1.00 4.12 H new ATOM 0 HB2 PRO A 101 6.158 -25.205 -10.451 1.00 63.14 H new ATOM 0 HB3 PRO A 101 5.242 -24.252 -11.601 1.00 63.14 H new ATOM 0 HG2 PRO A 101 5.377 -23.986 -8.605 1.00 25.13 H new ATOM 0 HG3 PRO A 101 5.403 -22.727 -9.824 1.00 25.13 H new ATOM 0 HD2 PRO A 101 3.135 -23.328 -8.441 1.00 11.00 H new ATOM 0 HD3 PRO A 101 3.073 -22.755 -10.096 1.00 11.00 H new