USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 698 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 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 HIS : no HE2:sc= -0.46 X(o=-0.46,f=-0.8) USER MOD Set 2.1: A 38 TYR OH : rot 0:sc= 0.985 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -1 K(o=-0.02,f=-6.3!) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -142:sc= -0.0143 (180deg=-0.126) USER MOD Set 3.2: A 30 TYR OH : rot 118:sc= -1.21 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 8 ASN : amide:sc= -1.98 K(o=-2,f=-12!) USER MOD Single : A 9 ASN : amide:sc= -0.0903 K(o=-0.09,f=-1.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 21 THR OG1 : rot 79:sc= 0.754 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.42) USER MOD Single : A 35 ASN : amide:sc= -0.696 K(o=-0.7,f=-2.6) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -4.36 X(o=-4.4,f=-3.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 3:sc= -3.19! USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 64 SER OG : rot 32:sc= 0.423 USER MOD Single : A 68 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 70 MET CE :methyl -133:sc= -5.4! (180deg=-7.88!) USER MOD Single : A 71 TYR OH : rot -118:sc= -0.397 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.037) USER MOD Single : A 86 THR OG1 : rot -21:sc= 1.2 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-5!) USER MOD Single : A 89 LYS NZ :NH3+ -160:sc=0.000542 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.330 -10.273 -4.933 1.00 0.00 N ATOM 38 CA LEU A 3 -0.556 -9.346 -4.237 1.00 0.00 C ATOM 39 C LEU A 3 -1.891 -9.219 -4.961 1.00 0.00 C ATOM 40 O LEU A 3 -1.956 -9.312 -6.187 1.00 0.00 O ATOM 41 CB LEU A 3 0.106 -7.972 -4.106 1.00 0.00 C ATOM 42 CG LEU A 3 0.246 -7.188 -5.412 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.527 -5.721 -5.125 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.347 -7.784 -6.276 1.00 0.00 C ATOM 0 HA LEU A 3 -0.744 -9.744 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.473 -7.374 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.097 -8.104 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.695 -7.257 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.624 -5.178 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.295 -5.300 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.454 -5.632 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.433 -7.214 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.294 -7.745 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.105 -8.821 -6.510 1.00 0.00 H new ATOM 56 N ASN A 4 -2.955 -9.010 -4.193 1.00 0.00 N ATOM 57 CA ASN A 4 -4.292 -8.871 -4.760 1.00 0.00 C ATOM 58 C ASN A 4 -5.082 -7.787 -4.032 1.00 0.00 C ATOM 59 O ASN A 4 -4.787 -7.460 -2.882 1.00 0.00 O ATOM 60 CB ASN A 4 -5.039 -10.205 -4.685 1.00 0.00 C ATOM 61 CG ASN A 4 -5.630 -10.612 -6.022 1.00 0.00 C ATOM 62 OD1 ASN A 4 -5.085 -11.467 -6.719 1.00 0.00 O ATOM 63 ND2 ASN A 4 -6.751 -10.000 -6.384 1.00 0.00 N ATOM 0 H ASN A 4 -2.918 -8.933 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.190 -8.578 -5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.356 -10.982 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.836 -10.131 -3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.195 -10.233 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.168 -9.297 -5.774 1.00 0.00 H new ATOM 70 N ILE A 5 -6.084 -7.236 -4.708 1.00 0.00 N ATOM 71 CA ILE A 5 -6.914 -6.190 -4.123 1.00 0.00 C ATOM 72 C ILE A 5 -8.378 -6.611 -4.074 1.00 0.00 C ATOM 73 O ILE A 5 -8.840 -7.387 -4.911 1.00 0.00 O ATOM 74 CB ILE A 5 -6.809 -4.872 -4.915 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.347 -4.545 -5.226 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.456 -3.735 -4.138 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.177 -3.289 -6.051 1.00 0.00 C ATOM 0 H ILE A 5 -6.341 -7.496 -5.660 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.543 -6.031 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.340 -4.994 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.800 -4.433 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.900 -5.384 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.374 -2.811 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.508 -3.964 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.950 -3.615 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.117 -3.115 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.696 -3.405 -7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.595 -2.440 -5.511 1.00 0.00 H new ATOM 89 N THR A 6 -9.106 -6.082 -3.097 1.00 0.00 N ATOM 90 CA THR A 6 -10.524 -6.380 -2.939 1.00 0.00 C ATOM 91 C THR A 6 -11.221 -5.200 -2.274 1.00 0.00 C ATOM 92 O THR A 6 -10.880 -4.824 -1.152 1.00 0.00 O ATOM 93 CB THR A 6 -10.715 -7.645 -2.102 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.778 -8.640 -2.474 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.098 -8.245 -2.231 1.00 0.00 C ATOM 0 H THR A 6 -8.733 -5.440 -2.398 1.00 0.00 H new ATOM 0 HA THR A 6 -10.962 -6.550 -3.922 1.00 0.00 H new ATOM 0 HB THR A 6 -10.568 -7.332 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.916 -9.441 -1.926 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.166 -9.139 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.842 -7.519 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.284 -8.509 -3.272 1.00 0.00 H new ATOM 103 N GLY A 7 -12.179 -4.603 -2.972 1.00 0.00 N ATOM 104 CA GLY A 7 -12.876 -3.454 -2.423 1.00 0.00 C ATOM 105 C GLY A 7 -14.344 -3.710 -2.153 1.00 0.00 C ATOM 106 O GLY A 7 -15.034 -4.343 -2.952 1.00 0.00 O ATOM 0 H GLY A 7 -12.485 -4.891 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.391 -3.155 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.783 -2.617 -3.116 1.00 0.00 H new ATOM 110 N ASN A 8 -14.821 -3.197 -1.024 1.00 0.00 N ATOM 111 CA ASN A 8 -16.221 -3.347 -0.638 1.00 0.00 C ATOM 112 C ASN A 8 -17.005 -2.091 -0.998 1.00 0.00 C ATOM 113 O ASN A 8 -16.823 -1.037 -0.388 1.00 0.00 O ATOM 114 CB ASN A 8 -16.350 -3.636 0.864 1.00 0.00 C ATOM 115 CG ASN A 8 -15.311 -2.914 1.704 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.602 -2.034 1.219 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.217 -3.287 2.975 1.00 0.00 N ATOM 0 H ASN A 8 -14.256 -2.671 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.634 -4.194 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.345 -3.344 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.260 -4.710 1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.537 -2.839 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.825 -4.022 3.337 1.00 0.00 H new ATOM 124 N ASN A 9 -17.873 -2.206 -2.000 1.00 0.00 N ATOM 125 CA ASN A 9 -18.680 -1.075 -2.451 1.00 0.00 C ATOM 126 C ASN A 9 -17.817 -0.069 -3.206 1.00 0.00 C ATOM 127 O ASN A 9 -18.003 1.143 -3.083 1.00 0.00 O ATOM 128 CB ASN A 9 -19.364 -0.392 -1.263 1.00 0.00 C ATOM 129 CG ASN A 9 -20.567 0.431 -1.683 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.095 0.263 -2.782 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.003 1.330 -0.808 1.00 0.00 N ATOM 0 H ASN A 9 -18.036 -3.071 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.448 -1.454 -3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.678 -1.149 -0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.646 0.252 -0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.807 1.915 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.534 1.435 0.092 1.00 0.00 H new ATOM 138 N VAL A 10 -16.875 -0.582 -3.991 1.00 0.00 N ATOM 139 CA VAL A 10 -15.983 0.263 -4.776 1.00 0.00 C ATOM 140 C VAL A 10 -15.511 -0.462 -6.033 1.00 0.00 C ATOM 141 O VAL A 10 -15.152 -1.638 -5.982 1.00 0.00 O ATOM 142 CB VAL A 10 -14.762 0.709 -3.954 1.00 0.00 C ATOM 143 CG1 VAL A 10 -13.970 -0.496 -3.484 1.00 0.00 C ATOM 144 CG2 VAL A 10 -13.884 1.653 -4.763 1.00 0.00 C ATOM 0 H VAL A 10 -16.710 -1.583 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.551 1.147 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.117 1.248 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.110 -0.162 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.604 -1.128 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.626 -1.065 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.026 1.956 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.536 1.145 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.460 2.535 -5.044 1.00 0.00 H new ATOM 154 N GLU A 11 -15.515 0.243 -7.159 1.00 0.00 N ATOM 155 CA GLU A 11 -15.087 -0.340 -8.426 1.00 0.00 C ATOM 156 C GLU A 11 -13.579 -0.207 -8.613 1.00 0.00 C ATOM 157 O GLU A 11 -13.027 0.891 -8.533 1.00 0.00 O ATOM 158 CB GLU A 11 -15.817 0.330 -9.592 1.00 0.00 C ATOM 159 CG GLU A 11 -16.170 -0.626 -10.718 1.00 0.00 C ATOM 160 CD GLU A 11 -16.925 0.053 -11.844 1.00 0.00 C ATOM 161 OE1 GLU A 11 -16.358 0.976 -12.466 1.00 0.00 O ATOM 162 OE2 GLU A 11 -18.083 -0.338 -12.104 1.00 0.00 O ATOM 0 H GLU A 11 -15.809 1.218 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.337 -1.401 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.731 0.793 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.193 1.131 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.256 -1.069 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.774 -1.442 -10.321 1.00 0.00 H new ATOM 169 N ILE A 12 -12.918 -1.332 -8.865 1.00 0.00 N ATOM 170 CA ILE A 12 -11.474 -1.344 -9.067 1.00 0.00 C ATOM 171 C ILE A 12 -11.127 -1.132 -10.538 1.00 0.00 C ATOM 172 O ILE A 12 -11.215 -2.057 -11.346 1.00 0.00 O ATOM 173 CB ILE A 12 -10.849 -2.672 -8.583 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.093 -2.858 -7.083 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.357 -2.714 -8.895 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.221 -1.983 -6.207 1.00 0.00 C ATOM 0 H ILE A 12 -13.360 -2.248 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.062 -0.525 -8.478 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.328 -3.493 -9.117 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.140 -2.645 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.920 -3.902 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.939 -3.658 -8.545 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.208 -2.628 -9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.857 -1.887 -8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.452 -2.172 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.172 -2.212 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.410 -0.934 -6.437 1.00 0.00 H new ATOM 188 N THR A 13 -10.733 0.091 -10.878 1.00 0.00 N ATOM 189 CA THR A 13 -10.371 0.424 -12.250 1.00 0.00 C ATOM 190 C THR A 13 -8.856 0.423 -12.426 1.00 0.00 C ATOM 191 O THR A 13 -8.115 0.692 -11.481 1.00 0.00 O ATOM 192 CB THR A 13 -10.940 1.792 -12.632 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.193 2.832 -12.027 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.387 1.972 -12.229 1.00 0.00 C ATOM 0 H THR A 13 -10.656 0.868 -10.221 1.00 0.00 H new ATOM 0 HA THR A 13 -10.796 -0.334 -12.907 1.00 0.00 H new ATOM 0 HB THR A 13 -10.874 1.839 -13.719 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.571 3.699 -12.284 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.728 2.963 -12.529 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.998 1.214 -12.719 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.479 1.869 -11.148 1.00 0.00 H new ATOM 202 N GLU A 14 -8.405 0.100 -13.640 1.00 0.00 N ATOM 203 CA GLU A 14 -6.976 0.044 -13.958 1.00 0.00 C ATOM 204 C GLU A 14 -6.170 1.099 -13.202 1.00 0.00 C ATOM 205 O GLU A 14 -5.101 0.807 -12.669 1.00 0.00 O ATOM 206 CB GLU A 14 -6.769 0.218 -15.464 1.00 0.00 C ATOM 207 CG GLU A 14 -7.537 -0.787 -16.306 1.00 0.00 C ATOM 208 CD GLU A 14 -6.756 -1.248 -17.521 1.00 0.00 C ATOM 209 OE1 GLU A 14 -6.149 -0.391 -18.196 1.00 0.00 O ATOM 210 OE2 GLU A 14 -6.753 -2.466 -17.796 1.00 0.00 O ATOM 0 H GLU A 14 -9.015 -0.129 -14.425 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.613 -0.934 -13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.072 1.225 -15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.706 0.130 -15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.790 -1.651 -15.692 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.477 -0.340 -16.631 1.00 0.00 H new ATOM 217 N ALA A 15 -6.685 2.325 -13.158 1.00 0.00 N ATOM 218 CA ALA A 15 -6.001 3.412 -12.467 1.00 0.00 C ATOM 219 C ALA A 15 -5.945 3.158 -10.963 1.00 0.00 C ATOM 220 O ALA A 15 -4.893 3.297 -10.339 1.00 0.00 O ATOM 221 CB ALA A 15 -6.691 4.736 -12.755 1.00 0.00 C ATOM 0 H ALA A 15 -7.570 2.589 -13.591 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.978 3.459 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.170 5.539 -12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.674 4.929 -13.828 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.724 4.690 -12.411 1.00 0.00 H new ATOM 227 N LEU A 16 -7.083 2.787 -10.386 1.00 0.00 N ATOM 228 CA LEU A 16 -7.163 2.514 -8.956 1.00 0.00 C ATOM 229 C LEU A 16 -6.219 1.382 -8.564 1.00 0.00 C ATOM 230 O LEU A 16 -5.365 1.545 -7.694 1.00 0.00 O ATOM 231 CB LEU A 16 -8.599 2.158 -8.563 1.00 0.00 C ATOM 232 CG LEU A 16 -9.461 3.340 -8.117 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.796 4.082 -6.969 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.718 4.280 -9.285 1.00 0.00 C ATOM 0 H LEU A 16 -7.963 2.668 -10.887 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.861 3.415 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.083 1.675 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.568 1.426 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.419 2.956 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.424 4.920 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.663 3.404 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.824 4.455 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.333 5.116 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.768 4.657 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.237 3.742 -10.078 1.00 0.00 H new ATOM 246 N ARG A 17 -6.380 0.234 -9.215 1.00 0.00 N ATOM 247 CA ARG A 17 -5.542 -0.927 -8.935 1.00 0.00 C ATOM 248 C ARG A 17 -4.070 -0.605 -9.169 1.00 0.00 C ATOM 249 O ARG A 17 -3.209 -0.972 -8.371 1.00 0.00 O ATOM 250 CB ARG A 17 -5.961 -2.109 -9.813 1.00 0.00 C ATOM 251 CG ARG A 17 -5.781 -1.855 -11.301 1.00 0.00 C ATOM 252 CD ARG A 17 -6.461 -2.928 -12.135 1.00 0.00 C ATOM 253 NE ARG A 17 -5.769 -3.158 -13.401 1.00 0.00 N ATOM 254 CZ ARG A 17 -4.617 -3.815 -13.508 1.00 0.00 C ATOM 255 NH1 ARG A 17 -4.025 -4.311 -12.428 1.00 0.00 N ATOM 256 NH2 ARG A 17 -4.056 -3.979 -14.698 1.00 0.00 N ATOM 0 H ARG A 17 -7.082 0.083 -9.939 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.676 -1.195 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.379 -2.986 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.007 -2.344 -9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.192 -0.879 -11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.718 -1.826 -11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.498 -3.858 -11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.492 -2.634 -12.333 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.194 -2.793 -14.253 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.453 -4.189 -11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.142 -4.814 -12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.508 -3.602 -15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.173 -4.483 -14.780 1.00 0.00 H new ATOM 270 N GLU A 18 -3.788 0.084 -10.272 1.00 0.00 N ATOM 271 CA GLU A 18 -2.420 0.456 -10.611 1.00 0.00 C ATOM 272 C GLU A 18 -1.813 1.344 -9.530 1.00 0.00 C ATOM 273 O GLU A 18 -0.683 1.122 -9.093 1.00 0.00 O ATOM 274 CB GLU A 18 -2.385 1.179 -11.959 1.00 0.00 C ATOM 275 CG GLU A 18 -2.431 0.241 -13.154 1.00 0.00 C ATOM 276 CD GLU A 18 -1.067 -0.319 -13.507 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.052 0.307 -13.133 1.00 0.00 O ATOM 278 OE2 GLU A 18 -1.013 -1.385 -14.158 1.00 0.00 O ATOM 0 H GLU A 18 -4.489 0.395 -10.945 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.829 -0.457 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.229 1.867 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.478 1.781 -12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.113 -0.582 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.835 0.774 -14.015 1.00 0.00 H new ATOM 285 N PHE A 19 -2.568 2.353 -9.104 1.00 0.00 N ATOM 286 CA PHE A 19 -2.104 3.281 -8.077 1.00 0.00 C ATOM 287 C PHE A 19 -1.597 2.538 -6.843 1.00 0.00 C ATOM 288 O PHE A 19 -0.514 2.829 -6.335 1.00 0.00 O ATOM 289 CB PHE A 19 -3.233 4.233 -7.678 1.00 0.00 C ATOM 290 CG PHE A 19 -2.763 5.429 -6.900 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.951 6.382 -7.495 1.00 0.00 C ATOM 292 CD2 PHE A 19 -3.131 5.598 -5.575 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.517 7.484 -6.782 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.700 6.696 -4.857 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.891 7.640 -5.461 1.00 0.00 C ATOM 0 H PHE A 19 -3.505 2.549 -9.455 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.276 3.853 -8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.745 4.574 -8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.964 3.687 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.654 6.262 -8.527 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.762 4.863 -5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.887 8.222 -7.257 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.995 6.817 -3.825 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.552 8.499 -4.901 1.00 0.00 H new ATOM 305 N VAL A 20 -2.385 1.580 -6.367 1.00 0.00 N ATOM 306 CA VAL A 20 -2.009 0.800 -5.194 1.00 0.00 C ATOM 307 C VAL A 20 -0.732 0.006 -5.448 1.00 0.00 C ATOM 308 O VAL A 20 0.225 0.087 -4.678 1.00 0.00 O ATOM 309 CB VAL A 20 -3.131 -0.170 -4.776 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.792 -0.842 -3.454 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.465 0.558 -4.686 1.00 0.00 C ATOM 0 H VAL A 20 -3.285 1.326 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.837 1.511 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.218 -0.944 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.596 -1.523 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.862 -1.401 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.674 -0.084 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.244 -0.145 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.395 1.355 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.713 0.985 -5.658 1.00 0.00 H new ATOM 321 N THR A 21 -0.726 -0.764 -6.532 1.00 0.00 N ATOM 322 CA THR A 21 0.431 -1.575 -6.888 1.00 0.00 C ATOM 323 C THR A 21 1.643 -0.698 -7.190 1.00 0.00 C ATOM 324 O THR A 21 2.785 -1.108 -6.980 1.00 0.00 O ATOM 325 CB THR A 21 0.111 -2.455 -8.096 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.221 -2.930 -8.032 1.00 0.00 O ATOM 327 CG2 THR A 21 1.021 -3.658 -8.219 1.00 0.00 C ATOM 0 H THR A 21 -1.511 -0.843 -7.179 1.00 0.00 H new ATOM 0 HA THR A 21 0.671 -2.211 -6.036 1.00 0.00 H new ATOM 0 HB THR A 21 0.261 -1.815 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.835 -2.221 -8.315 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.739 -4.239 -9.097 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.054 -3.324 -8.321 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.927 -4.278 -7.328 1.00 0.00 H new ATOM 335 N ALA A 22 1.388 0.509 -7.683 1.00 0.00 N ATOM 336 CA ALA A 22 2.460 1.441 -8.016 1.00 0.00 C ATOM 337 C ALA A 22 3.298 1.778 -6.788 1.00 0.00 C ATOM 338 O ALA A 22 4.528 1.768 -6.841 1.00 0.00 O ATOM 339 CB ALA A 22 1.885 2.709 -8.628 1.00 0.00 C ATOM 0 H ALA A 22 0.449 0.865 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 22 3.111 0.960 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.696 3.396 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.337 2.458 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.210 3.183 -7.916 1.00 0.00 H new ATOM 345 N LYS A 23 2.624 2.072 -5.679 1.00 0.00 N ATOM 346 CA LYS A 23 3.312 2.410 -4.438 1.00 0.00 C ATOM 347 C LYS A 23 4.077 1.206 -3.902 1.00 0.00 C ATOM 348 O LYS A 23 5.274 1.290 -3.623 1.00 0.00 O ATOM 349 CB LYS A 23 2.311 2.900 -3.391 1.00 0.00 C ATOM 350 CG LYS A 23 1.382 3.993 -3.899 1.00 0.00 C ATOM 351 CD LYS A 23 2.149 5.261 -4.241 1.00 0.00 C ATOM 352 CE LYS A 23 1.450 6.056 -5.331 1.00 0.00 C ATOM 353 NZ LYS A 23 2.231 7.259 -5.729 1.00 0.00 N ATOM 0 H LYS A 23 1.606 2.083 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 23 4.023 3.209 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.712 2.055 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.858 3.273 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.850 3.639 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.630 4.214 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.252 5.878 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.156 5.002 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.295 5.419 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.464 6.363 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.720 7.774 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.357 7.880 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.162 6.965 -6.087 1.00 0.00 H new ATOM 367 N PHE A 24 3.381 0.080 -3.765 1.00 0.00 N ATOM 368 CA PHE A 24 3.999 -1.145 -3.268 1.00 0.00 C ATOM 369 C PHE A 24 5.272 -1.459 -4.049 1.00 0.00 C ATOM 370 O PHE A 24 6.302 -1.797 -3.467 1.00 0.00 O ATOM 371 CB PHE A 24 3.019 -2.315 -3.365 1.00 0.00 C ATOM 372 CG PHE A 24 2.316 -2.616 -2.073 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.992 -3.228 -1.027 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.982 -2.285 -1.899 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.350 -3.505 0.163 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.334 -2.559 -0.709 1.00 0.00 C ATOM 377 CZ PHE A 24 1.019 -3.171 0.323 1.00 0.00 C ATOM 0 H PHE A 24 2.390 -0.009 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 24 4.262 -0.995 -2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.276 -2.093 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.558 -3.204 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.033 -3.491 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.442 -1.807 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.888 -3.983 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.706 -2.295 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.515 -3.388 1.253 1.00 0.00 H new ATOM 387 N ALA A 25 5.193 -1.334 -5.373 1.00 0.00 N ATOM 388 CA ALA A 25 6.340 -1.595 -6.233 1.00 0.00 C ATOM 389 C ALA A 25 7.552 -0.788 -5.783 1.00 0.00 C ATOM 390 O ALA A 25 8.618 -1.344 -5.519 1.00 0.00 O ATOM 391 CB ALA A 25 5.998 -1.275 -7.681 1.00 0.00 C ATOM 0 H ALA A 25 4.347 -1.054 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 25 6.589 -2.653 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.864 -1.475 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.163 -1.897 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.722 -0.224 -7.766 1.00 0.00 H new ATOM 397 N LYS A 26 7.380 0.528 -5.690 1.00 0.00 N ATOM 398 CA LYS A 26 8.459 1.415 -5.265 1.00 0.00 C ATOM 399 C LYS A 26 9.055 0.948 -3.940 1.00 0.00 C ATOM 400 O LYS A 26 10.232 1.182 -3.662 1.00 0.00 O ATOM 401 CB LYS A 26 7.943 2.848 -5.130 1.00 0.00 C ATOM 402 CG LYS A 26 8.983 3.903 -5.476 1.00 0.00 C ATOM 403 CD LYS A 26 9.125 4.934 -4.366 1.00 0.00 C ATOM 404 CE LYS A 26 9.999 4.418 -3.234 1.00 0.00 C ATOM 405 NZ LYS A 26 10.435 5.515 -2.327 1.00 0.00 N ATOM 0 H LYS A 26 6.503 1.004 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 26 9.241 1.388 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.077 2.976 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.601 3.008 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.945 3.422 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.701 4.402 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.556 5.849 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.139 5.190 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.449 3.671 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.875 3.920 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.416 5.346 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.379 6.424 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.815 5.542 -1.492 1.00 0.00 H new ATOM 419 N LEU A 27 8.239 0.279 -3.131 1.00 0.00 N ATOM 420 CA LEU A 27 8.692 -0.229 -1.842 1.00 0.00 C ATOM 421 C LEU A 27 9.458 -1.537 -2.020 1.00 0.00 C ATOM 422 O LEU A 27 10.343 -1.867 -1.231 1.00 0.00 O ATOM 423 CB LEU A 27 7.505 -0.445 -0.903 1.00 0.00 C ATOM 424 CG LEU A 27 7.046 0.799 -0.142 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.172 1.675 -1.027 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.298 0.404 1.122 1.00 0.00 C ATOM 0 H LEU A 27 7.263 0.077 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 27 9.359 0.512 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.666 -0.826 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.769 -1.217 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 27 7.928 1.372 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.855 2.555 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.739 1.987 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.295 1.111 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.979 1.302 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.424 -0.191 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.954 -0.182 1.765 1.00 0.00 H new ATOM 438 N GLU A 28 9.111 -2.273 -3.072 1.00 0.00 N ATOM 439 CA GLU A 28 9.760 -3.545 -3.374 1.00 0.00 C ATOM 440 C GLU A 28 11.254 -3.361 -3.643 1.00 0.00 C ATOM 441 O GLU A 28 12.011 -4.333 -3.657 1.00 0.00 O ATOM 442 CB GLU A 28 9.088 -4.208 -4.580 1.00 0.00 C ATOM 443 CG GLU A 28 8.337 -5.483 -4.231 1.00 0.00 C ATOM 444 CD GLU A 28 8.904 -6.704 -4.926 1.00 0.00 C ATOM 445 OE1 GLU A 28 8.736 -6.819 -6.158 1.00 0.00 O ATOM 446 OE2 GLU A 28 9.517 -7.549 -4.238 1.00 0.00 O ATOM 0 H GLU A 28 8.380 -2.009 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 28 9.652 -4.190 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.395 -3.500 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.847 -4.436 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.370 -5.636 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.288 -5.369 -4.505 1.00 0.00 H new ATOM 453 N GLN A 29 11.679 -2.117 -3.852 1.00 0.00 N ATOM 454 CA GLN A 29 13.083 -1.824 -4.113 1.00 0.00 C ATOM 455 C GLN A 29 13.918 -1.989 -2.847 1.00 0.00 C ATOM 456 O GLN A 29 14.897 -2.735 -2.832 1.00 0.00 O ATOM 457 CB GLN A 29 13.237 -0.403 -4.658 1.00 0.00 C ATOM 458 CG GLN A 29 14.663 -0.054 -5.052 1.00 0.00 C ATOM 459 CD GLN A 29 14.727 0.867 -6.255 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.031 0.660 -7.249 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.566 1.894 -6.170 1.00 0.00 N ATOM 0 H GLN A 29 11.071 -1.298 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 29 13.443 -2.532 -4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.589 -0.284 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.893 0.306 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.163 0.421 -4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.210 -0.971 -5.272 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.124 2.028 -5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.652 2.548 -6.948 1.00 0.00 H new ATOM 470 N TYR A 30 13.526 -1.289 -1.787 1.00 0.00 N ATOM 471 CA TYR A 30 14.247 -1.363 -0.519 1.00 0.00 C ATOM 472 C TYR A 30 13.664 -2.441 0.391 1.00 0.00 C ATOM 473 O TYR A 30 14.367 -2.994 1.236 1.00 0.00 O ATOM 474 CB TYR A 30 14.246 -0.006 0.200 1.00 0.00 C ATOM 475 CG TYR A 30 12.982 0.805 0.007 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.824 0.506 0.715 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.952 1.876 -0.877 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.673 1.252 0.544 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.804 2.624 -1.054 1.00 0.00 C ATOM 480 CZ TYR A 30 10.668 2.308 -0.341 1.00 0.00 C ATOM 481 OH TYR A 30 9.524 3.052 -0.513 1.00 0.00 O ATOM 0 H TYR A 30 12.718 -0.667 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 30 15.278 -1.631 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.396 -0.174 1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.095 0.579 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.823 -0.321 1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.841 2.128 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.781 1.008 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.797 3.452 -1.747 1.00 0.00 H new ATOM 0 HH TYR A 30 9.694 3.979 -0.245 1.00 0.00 H new ATOM 491 N PHE A 31 12.381 -2.745 0.213 1.00 0.00 N ATOM 492 CA PHE A 31 11.726 -3.768 1.023 1.00 0.00 C ATOM 493 C PHE A 31 11.660 -5.092 0.269 1.00 0.00 C ATOM 494 O PHE A 31 11.046 -5.185 -0.793 1.00 0.00 O ATOM 495 CB PHE A 31 10.315 -3.323 1.420 1.00 0.00 C ATOM 496 CG PHE A 31 10.280 -2.137 2.346 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.310 -1.904 3.245 1.00 0.00 C ATOM 498 CD2 PHE A 31 9.212 -1.256 2.317 1.00 0.00 C ATOM 499 CE1 PHE A 31 11.274 -0.814 4.095 1.00 0.00 C ATOM 500 CE2 PHE A 31 9.170 -0.165 3.164 1.00 0.00 C ATOM 501 CZ PHE A 31 10.203 0.056 4.054 1.00 0.00 C ATOM 0 H PHE A 31 11.778 -2.301 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 31 12.317 -3.909 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.755 -3.081 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.804 -4.158 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.150 -2.582 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.401 -1.424 1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.083 -0.643 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.331 0.514 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.173 0.908 4.717 1.00 0.00 H new ATOM 511 N ASP A 32 12.298 -6.116 0.828 1.00 0.00 N ATOM 512 CA ASP A 32 12.315 -7.437 0.210 1.00 0.00 C ATOM 513 C ASP A 32 11.450 -8.426 0.990 1.00 0.00 C ATOM 514 O ASP A 32 11.157 -9.520 0.508 1.00 0.00 O ATOM 515 CB ASP A 32 13.749 -7.961 0.121 1.00 0.00 C ATOM 516 CG ASP A 32 13.836 -9.290 -0.605 1.00 0.00 C ATOM 517 OD1 ASP A 32 13.147 -9.450 -1.634 1.00 0.00 O ATOM 518 OD2 ASP A 32 14.593 -10.170 -0.144 1.00 0.00 O ATOM 0 H ASP A 32 12.810 -6.056 1.708 1.00 0.00 H new ATOM 0 HA ASP A 32 11.902 -7.341 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.369 -7.228 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.155 -8.072 1.126 1.00 0.00 H new ATOM 523 N ARG A 33 11.045 -8.040 2.198 1.00 0.00 N ATOM 524 CA ARG A 33 10.216 -8.901 3.035 1.00 0.00 C ATOM 525 C ARG A 33 8.747 -8.802 2.638 1.00 0.00 C ATOM 526 O ARG A 33 7.894 -8.452 3.453 1.00 0.00 O ATOM 527 CB ARG A 33 10.383 -8.528 4.510 1.00 0.00 C ATOM 528 CG ARG A 33 11.825 -8.272 4.917 1.00 0.00 C ATOM 529 CD ARG A 33 12.581 -9.574 5.134 1.00 0.00 C ATOM 530 NE ARG A 33 13.018 -10.168 3.875 1.00 0.00 N ATOM 531 CZ ARG A 33 13.946 -11.119 3.785 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.538 -11.583 4.879 1.00 0.00 N ATOM 533 NH2 ARG A 33 14.284 -11.607 2.599 1.00 0.00 N ATOM 0 H ARG A 33 11.277 -7.139 2.617 1.00 0.00 H new ATOM 0 HA ARG A 33 10.544 -9.930 2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.792 -7.636 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.978 -9.330 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.323 -7.685 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.847 -7.680 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.448 -9.389 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.943 -10.280 5.666 1.00 0.00 H new ATOM 0 HE ARG A 33 12.587 -9.835 3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.283 -11.211 5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.248 -12.311 4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.833 -11.254 1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.995 -12.335 2.531 1.00 0.00 H new ATOM 547 N ILE A 34 8.456 -9.118 1.380 1.00 0.00 N ATOM 548 CA ILE A 34 7.090 -9.068 0.878 1.00 0.00 C ATOM 549 C ILE A 34 6.809 -10.238 -0.061 1.00 0.00 C ATOM 550 O ILE A 34 7.408 -10.344 -1.132 1.00 0.00 O ATOM 551 CB ILE A 34 6.809 -7.748 0.133 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.211 -6.550 0.997 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.339 -7.658 -0.254 1.00 0.00 C ATOM 554 CD1 ILE A 34 8.559 -5.967 0.632 1.00 0.00 C ATOM 0 H ILE A 34 9.149 -9.411 0.691 1.00 0.00 H new ATOM 0 HA ILE A 34 6.432 -9.132 1.745 1.00 0.00 H new ATOM 0 HB ILE A 34 7.407 -7.731 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.451 -5.774 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.228 -6.856 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.158 -6.720 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.082 -8.494 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.723 -7.696 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.779 -5.122 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.329 -6.729 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.541 -5.630 -0.404 1.00 0.00 H new ATOM 566 N ASN A 35 5.894 -11.112 0.345 1.00 0.00 N ATOM 567 CA ASN A 35 5.533 -12.272 -0.463 1.00 0.00 C ATOM 568 C ASN A 35 4.067 -12.206 -0.878 1.00 0.00 C ATOM 569 O ASN A 35 3.745 -12.241 -2.065 1.00 0.00 O ATOM 570 CB ASN A 35 5.804 -13.569 0.306 1.00 0.00 C ATOM 571 CG ASN A 35 5.400 -13.478 1.765 1.00 0.00 C ATOM 572 OD1 ASN A 35 5.962 -12.692 2.529 1.00 0.00 O ATOM 573 ND2 ASN A 35 4.423 -14.285 2.160 1.00 0.00 N ATOM 0 H ASN A 35 5.389 -11.039 1.228 1.00 0.00 H new ATOM 0 HA ASN A 35 6.149 -12.262 -1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.261 -14.387 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.865 -13.810 0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.110 -14.270 3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.985 -14.920 1.493 1.00 0.00 H new ATOM 580 N GLN A 36 3.182 -12.103 0.110 1.00 0.00 N ATOM 581 CA GLN A 36 1.750 -12.025 -0.154 1.00 0.00 C ATOM 582 C GLN A 36 1.145 -10.801 0.523 1.00 0.00 C ATOM 583 O GLN A 36 1.149 -10.694 1.750 1.00 0.00 O ATOM 584 CB GLN A 36 1.046 -13.291 0.338 1.00 0.00 C ATOM 585 CG GLN A 36 -0.454 -13.288 0.092 1.00 0.00 C ATOM 586 CD GLN A 36 -0.986 -14.659 -0.274 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.576 -15.351 0.558 1.00 0.00 O ATOM 588 NE2 GLN A 36 -0.782 -15.060 -1.523 1.00 0.00 N ATOM 0 H GLN A 36 3.432 -12.072 1.098 1.00 0.00 H new ATOM 0 HA GLN A 36 1.608 -11.936 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.485 -14.157 -0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.230 -13.407 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.965 -12.931 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.686 -12.586 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.288 -14.454 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.119 -15.974 -1.827 1.00 0.00 H new ATOM 597 N VAL A 37 0.626 -9.881 -0.281 1.00 0.00 N ATOM 598 CA VAL A 37 0.017 -8.666 0.246 1.00 0.00 C ATOM 599 C VAL A 37 -1.403 -8.493 -0.275 1.00 0.00 C ATOM 600 O VAL A 37 -1.662 -8.660 -1.467 1.00 0.00 O ATOM 601 CB VAL A 37 0.838 -7.415 -0.126 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.413 -6.226 0.723 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.329 -7.682 0.027 1.00 0.00 C ATOM 0 H VAL A 37 0.615 -9.953 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.003 -8.771 1.331 1.00 0.00 H new ATOM 0 HB VAL A 37 0.643 -7.176 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.003 -5.352 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.644 -6.018 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.575 -6.455 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.888 -6.786 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.546 -7.950 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.621 -8.502 -0.629 1.00 0.00 H new ATOM 613 N TYR A 38 -2.319 -8.149 0.622 1.00 0.00 N ATOM 614 CA TYR A 38 -3.712 -7.942 0.251 1.00 0.00 C ATOM 615 C TYR A 38 -4.223 -6.611 0.792 1.00 0.00 C ATOM 616 O TYR A 38 -4.055 -6.300 1.972 1.00 0.00 O ATOM 617 CB TYR A 38 -4.592 -9.100 0.744 1.00 0.00 C ATOM 618 CG TYR A 38 -4.151 -9.711 2.057 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.939 -10.386 2.163 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.952 -9.623 3.188 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.539 -10.953 3.358 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.559 -10.186 4.387 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.352 -10.849 4.467 1.00 0.00 C ATOM 624 OH TYR A 38 -2.958 -11.411 5.660 1.00 0.00 O ATOM 0 H TYR A 38 -2.121 -8.008 1.613 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.769 -7.915 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.616 -8.741 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.605 -9.879 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.300 -10.468 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.898 -9.106 3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.595 -11.474 3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.194 -10.107 5.257 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.085 -11.841 5.546 1.00 0.00 H new ATOM 634 N VAL A 39 -4.835 -5.826 -0.088 1.00 0.00 N ATOM 635 CA VAL A 39 -5.361 -4.517 0.285 1.00 0.00 C ATOM 636 C VAL A 39 -6.878 -4.462 0.134 1.00 0.00 C ATOM 637 O VAL A 39 -7.447 -5.098 -0.755 1.00 0.00 O ATOM 638 CB VAL A 39 -4.731 -3.401 -0.571 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.176 -2.030 -0.083 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.213 -3.513 -0.557 1.00 0.00 C ATOM 0 H VAL A 39 -4.979 -6.074 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.102 -4.360 1.332 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.075 -3.521 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.719 -1.258 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.261 -1.954 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.867 -1.895 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.784 -2.718 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.851 -3.421 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.916 -4.480 -0.962 1.00 0.00 H new ATOM 650 N VAL A 40 -7.524 -3.690 1.001 1.00 0.00 N ATOM 651 CA VAL A 40 -8.973 -3.540 0.962 1.00 0.00 C ATOM 652 C VAL A 40 -9.375 -2.119 1.320 1.00 0.00 C ATOM 653 O VAL A 40 -8.910 -1.555 2.310 1.00 0.00 O ATOM 654 CB VAL A 40 -9.674 -4.523 1.917 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.182 -4.482 1.718 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.141 -5.934 1.719 1.00 0.00 C ATOM 0 H VAL A 40 -7.066 -3.158 1.740 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.290 -3.763 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.459 -4.219 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.659 -5.184 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.548 -3.475 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.421 -4.758 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.649 -6.614 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.322 -6.250 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.070 -5.950 1.920 1.00 0.00 H new ATOM 666 N LEU A 41 -10.225 -1.541 0.486 1.00 0.00 N ATOM 667 CA LEU A 41 -10.680 -0.175 0.681 1.00 0.00 C ATOM 668 C LEU A 41 -12.198 -0.063 0.568 1.00 0.00 C ATOM 669 O LEU A 41 -12.801 -0.534 -0.395 1.00 0.00 O ATOM 670 CB LEU A 41 -9.996 0.747 -0.334 1.00 0.00 C ATOM 671 CG LEU A 41 -9.691 0.116 -1.702 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.663 -0.999 -1.571 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.965 -0.398 -2.358 1.00 0.00 C ATOM 0 H LEU A 41 -10.615 -2.000 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.407 0.132 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.629 1.620 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.061 1.104 0.098 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.268 0.890 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.465 -1.429 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.738 -0.595 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.048 -1.773 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.724 -0.840 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.425 -1.152 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.660 0.429 -2.501 1.00 0.00 H new ATOM 685 N LYS A 42 -12.809 0.575 1.561 1.00 0.00 N ATOM 686 CA LYS A 42 -14.255 0.764 1.579 1.00 0.00 C ATOM 687 C LYS A 42 -14.604 2.210 1.238 1.00 0.00 C ATOM 688 O LYS A 42 -14.030 3.146 1.795 1.00 0.00 O ATOM 689 CB LYS A 42 -14.828 0.381 2.947 1.00 0.00 C ATOM 690 CG LYS A 42 -16.284 0.780 3.139 1.00 0.00 C ATOM 691 CD LYS A 42 -16.842 0.248 4.448 1.00 0.00 C ATOM 692 CE LYS A 42 -16.073 0.786 5.643 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.568 0.216 6.926 1.00 0.00 N ATOM 0 H LYS A 42 -12.323 0.971 2.366 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.700 0.114 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.736 -0.697 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.227 0.850 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.369 1.867 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.879 0.400 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.893 0.525 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.799 -0.841 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.014 0.554 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.160 1.872 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.017 0.609 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.572 0.459 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.462 -0.818 6.910 1.00 0.00 H new ATOM 707 N VAL A 43 -15.548 2.382 0.316 1.00 0.00 N ATOM 708 CA VAL A 43 -15.969 3.712 -0.103 1.00 0.00 C ATOM 709 C VAL A 43 -17.419 3.985 0.284 1.00 0.00 C ATOM 710 O VAL A 43 -18.340 3.348 -0.228 1.00 0.00 O ATOM 711 CB VAL A 43 -15.817 3.892 -1.626 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.082 5.336 -2.023 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.434 3.453 -2.079 1.00 0.00 C ATOM 0 H VAL A 43 -16.034 1.618 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.321 4.422 0.411 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.555 3.262 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.970 5.443 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.096 5.612 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.370 5.989 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.345 3.587 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.678 4.055 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.286 2.402 -1.831 1.00 0.00 H new ATOM 723 N GLU A 44 -17.611 4.940 1.187 1.00 0.00 N ATOM 724 CA GLU A 44 -18.946 5.305 1.641 1.00 0.00 C ATOM 725 C GLU A 44 -19.095 6.823 1.703 1.00 0.00 C ATOM 726 O GLU A 44 -18.117 7.547 1.886 1.00 0.00 O ATOM 727 CB GLU A 44 -19.237 4.690 3.014 1.00 0.00 C ATOM 728 CG GLU A 44 -18.071 4.779 3.982 1.00 0.00 C ATOM 729 CD GLU A 44 -18.371 4.127 5.317 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.566 3.954 5.638 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.412 3.790 6.042 1.00 0.00 O ATOM 0 H GLU A 44 -16.858 5.475 1.619 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.667 4.912 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.100 5.192 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.510 3.643 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.197 4.303 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.816 5.827 4.143 1.00 0.00 H new ATOM 738 N LYS A 45 -20.326 7.296 1.540 1.00 0.00 N ATOM 739 CA LYS A 45 -20.611 8.728 1.565 1.00 0.00 C ATOM 740 C LYS A 45 -20.095 9.388 2.844 1.00 0.00 C ATOM 741 O LYS A 45 -19.922 10.606 2.890 1.00 0.00 O ATOM 742 CB LYS A 45 -22.117 8.966 1.433 1.00 0.00 C ATOM 743 CG LYS A 45 -22.488 10.430 1.259 1.00 0.00 C ATOM 744 CD LYS A 45 -23.655 10.821 2.153 1.00 0.00 C ATOM 745 CE LYS A 45 -24.629 11.737 1.429 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.776 12.125 2.296 1.00 0.00 N ATOM 0 H LYS A 45 -21.145 6.707 1.389 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.091 9.181 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.492 8.401 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.617 8.576 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.626 11.055 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.747 10.619 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.177 9.924 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.279 11.321 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.106 12.634 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.002 11.236 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.417 12.749 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.291 11.272 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.422 12.625 3.136 1.00 0.00 H new ATOM 760 N VAL A 46 -19.857 8.591 3.881 1.00 0.00 N ATOM 761 CA VAL A 46 -19.367 9.126 5.151 1.00 0.00 C ATOM 762 C VAL A 46 -17.843 9.260 5.162 1.00 0.00 C ATOM 763 O VAL A 46 -17.309 10.339 4.903 1.00 0.00 O ATOM 764 CB VAL A 46 -19.813 8.276 6.366 1.00 0.00 C ATOM 765 CG1 VAL A 46 -21.062 8.869 6.999 1.00 0.00 C ATOM 766 CG2 VAL A 46 -20.053 6.825 5.973 1.00 0.00 C ATOM 0 H VAL A 46 -19.993 7.580 3.870 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.814 10.116 5.243 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.006 8.293 7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.362 8.260 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.853 9.885 7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.868 8.888 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.365 6.257 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.834 6.778 5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.133 6.399 5.573 1.00 0.00 H new ATOM 776 N THR A 47 -17.148 8.166 5.467 1.00 0.00 N ATOM 777 CA THR A 47 -15.688 8.182 5.515 1.00 0.00 C ATOM 778 C THR A 47 -15.090 7.048 4.689 1.00 0.00 C ATOM 779 O THR A 47 -15.700 5.991 4.530 1.00 0.00 O ATOM 780 CB THR A 47 -15.206 8.081 6.962 1.00 0.00 C ATOM 781 OG1 THR A 47 -16.107 8.735 7.837 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.835 8.684 7.179 1.00 0.00 C ATOM 0 H THR A 47 -17.569 7.263 5.683 1.00 0.00 H new ATOM 0 HA THR A 47 -15.352 9.126 5.087 1.00 0.00 H new ATOM 0 HB THR A 47 -15.153 7.013 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.782 8.658 8.758 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.553 8.579 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.107 8.167 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.856 9.741 6.913 1.00 0.00 H new ATOM 790 N HIS A 48 -13.882 7.268 4.179 1.00 0.00 N ATOM 791 CA HIS A 48 -13.190 6.259 3.383 1.00 0.00 C ATOM 792 C HIS A 48 -12.160 5.528 4.237 1.00 0.00 C ATOM 793 O HIS A 48 -11.398 6.154 4.975 1.00 0.00 O ATOM 794 CB HIS A 48 -12.507 6.908 2.178 1.00 0.00 C ATOM 795 CG HIS A 48 -13.438 7.713 1.325 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.791 7.347 0.043 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.091 8.874 1.577 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.620 8.246 -0.457 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.817 9.182 0.454 1.00 0.00 N ATOM 0 H HIS A 48 -13.362 8.136 4.303 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.924 5.538 3.023 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.701 7.552 2.530 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.049 6.130 1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.048 9.449 2.490 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.061 8.220 -1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.413 10.002 0.341 1.00 0.00 H new ATOM 808 N THR A 49 -12.146 4.201 4.146 1.00 0.00 N ATOM 809 CA THR A 49 -11.210 3.402 4.929 1.00 0.00 C ATOM 810 C THR A 49 -10.443 2.411 4.058 1.00 0.00 C ATOM 811 O THR A 49 -11.003 1.796 3.150 1.00 0.00 O ATOM 812 CB THR A 49 -11.953 2.653 6.035 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.690 3.553 6.843 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.036 1.863 6.945 1.00 0.00 C ATOM 0 H THR A 49 -12.767 3.661 3.543 1.00 0.00 H new ATOM 0 HA THR A 49 -10.487 4.086 5.373 1.00 0.00 H new ATOM 0 HB THR A 49 -12.613 1.956 5.518 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.160 3.054 7.544 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.628 1.356 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.490 1.124 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.329 2.539 7.425 1.00 0.00 H new ATOM 822 N SER A 50 -9.157 2.261 4.356 1.00 0.00 N ATOM 823 CA SER A 50 -8.294 1.343 3.620 1.00 0.00 C ATOM 824 C SER A 50 -7.438 0.527 4.583 1.00 0.00 C ATOM 825 O SER A 50 -7.013 1.028 5.623 1.00 0.00 O ATOM 826 CB SER A 50 -7.398 2.117 2.651 1.00 0.00 C ATOM 827 OG SER A 50 -6.749 3.193 3.305 1.00 0.00 O ATOM 0 H SER A 50 -8.687 2.767 5.107 1.00 0.00 H new ATOM 0 HA SER A 50 -8.925 0.662 3.049 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.654 1.445 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.996 2.498 1.823 1.00 0.00 H new ATOM 0 HG SER A 50 -6.974 3.180 4.259 1.00 0.00 H new ATOM 833 N ASP A 51 -7.189 -0.732 4.236 1.00 0.00 N ATOM 834 CA ASP A 51 -6.384 -1.611 5.079 1.00 0.00 C ATOM 835 C ASP A 51 -5.389 -2.405 4.241 1.00 0.00 C ATOM 836 O ASP A 51 -5.641 -2.693 3.073 1.00 0.00 O ATOM 837 CB ASP A 51 -7.287 -2.566 5.863 1.00 0.00 C ATOM 838 CG ASP A 51 -8.052 -3.518 4.963 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.404 -4.243 4.180 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.299 -3.537 5.044 1.00 0.00 O ATOM 0 H ASP A 51 -7.532 -1.166 3.379 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.826 -0.991 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.680 -3.142 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.994 -1.986 6.457 1.00 0.00 H new ATOM 845 N ALA A 52 -4.254 -2.757 4.843 1.00 0.00 N ATOM 846 CA ALA A 52 -3.230 -3.518 4.136 1.00 0.00 C ATOM 847 C ALA A 52 -2.451 -4.428 5.079 1.00 0.00 C ATOM 848 O ALA A 52 -1.753 -3.965 5.983 1.00 0.00 O ATOM 849 CB ALA A 52 -2.285 -2.579 3.404 1.00 0.00 C ATOM 0 H ALA A 52 -4.023 -2.529 5.810 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.734 -4.153 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.526 -3.161 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.848 -1.986 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.802 -1.916 4.122 1.00 0.00 H new ATOM 855 N THR A 53 -2.580 -5.732 4.849 1.00 0.00 N ATOM 856 CA THR A 53 -1.893 -6.730 5.659 1.00 0.00 C ATOM 857 C THR A 53 -0.672 -7.271 4.917 1.00 0.00 C ATOM 858 O THR A 53 -0.806 -7.965 3.910 1.00 0.00 O ATOM 859 CB THR A 53 -2.841 -7.875 6.006 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.085 -7.377 6.464 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.297 -8.803 7.072 1.00 0.00 C ATOM 0 H THR A 53 -3.157 -6.122 4.104 1.00 0.00 H new ATOM 0 HA THR A 53 -1.561 -6.255 6.582 1.00 0.00 H new ATOM 0 HB THR A 53 -2.959 -8.440 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.678 -8.127 6.679 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.021 -9.593 7.270 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.362 -9.245 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.116 -8.239 7.987 1.00 0.00 H new ATOM 869 N LEU A 54 0.515 -6.942 5.417 1.00 0.00 N ATOM 870 CA LEU A 54 1.755 -7.391 4.790 1.00 0.00 C ATOM 871 C LEU A 54 2.355 -8.580 5.534 1.00 0.00 C ATOM 872 O LEU A 54 2.249 -8.683 6.756 1.00 0.00 O ATOM 873 CB LEU A 54 2.766 -6.244 4.740 1.00 0.00 C ATOM 874 CG LEU A 54 2.481 -5.178 3.678 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.069 -4.636 3.833 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.500 -4.052 3.769 1.00 0.00 C ATOM 0 H LEU A 54 0.645 -6.369 6.251 1.00 0.00 H new ATOM 0 HA LEU A 54 1.520 -7.710 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.796 -5.763 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.757 -6.660 4.559 1.00 0.00 H new ATOM 0 HG LEU A 54 2.565 -5.639 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.884 -3.880 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.352 -5.449 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.957 -4.190 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.283 -3.303 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.447 -3.592 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.501 -4.453 3.609 1.00 0.00 H new ATOM 888 N HIS A 55 2.989 -9.475 4.782 1.00 0.00 N ATOM 889 CA HIS A 55 3.615 -10.660 5.359 1.00 0.00 C ATOM 890 C HIS A 55 5.134 -10.516 5.374 1.00 0.00 C ATOM 891 O HIS A 55 5.732 -10.062 4.400 1.00 0.00 O ATOM 892 CB HIS A 55 3.216 -11.908 4.569 1.00 0.00 C ATOM 893 CG HIS A 55 1.821 -12.373 4.849 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.533 -13.606 5.397 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.627 -11.762 4.656 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.225 -13.734 5.526 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.348 -12.629 5.085 1.00 0.00 N ATOM 0 H HIS A 55 3.083 -9.402 3.769 1.00 0.00 H new ATOM 0 HA HIS A 55 3.267 -10.763 6.387 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.314 -11.700 3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.912 -12.714 4.802 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.223 -14.309 5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.471 -10.777 4.242 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.289 -14.596 5.925 1.00 0.00 H new ATOM 906 N VAL A 56 5.754 -10.908 6.484 1.00 0.00 N ATOM 907 CA VAL A 56 7.205 -10.820 6.616 1.00 0.00 C ATOM 908 C VAL A 56 7.773 -12.036 7.345 1.00 0.00 C ATOM 909 O VAL A 56 7.466 -12.269 8.512 1.00 0.00 O ATOM 910 CB VAL A 56 7.620 -9.540 7.370 1.00 0.00 C ATOM 911 CG1 VAL A 56 7.013 -9.518 8.765 1.00 0.00 C ATOM 912 CG2 VAL A 56 9.138 -9.420 7.436 1.00 0.00 C ATOM 0 H VAL A 56 5.277 -11.288 7.301 1.00 0.00 H new ATOM 0 HA VAL A 56 7.612 -10.789 5.605 1.00 0.00 H new ATOM 0 HB VAL A 56 7.237 -8.680 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.318 -8.607 9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.926 -9.546 8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.360 -10.386 9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.408 -8.510 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.549 -10.284 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.544 -9.380 6.425 1.00 0.00 H new ATOM 922 N ASN A 57 8.615 -12.798 6.646 1.00 0.00 N ATOM 923 CA ASN A 57 9.248 -13.991 7.210 1.00 0.00 C ATOM 924 C ASN A 57 8.280 -14.791 8.093 1.00 0.00 C ATOM 925 O ASN A 57 7.517 -15.618 7.596 1.00 0.00 O ATOM 926 CB ASN A 57 10.500 -13.600 8.000 1.00 0.00 C ATOM 927 CG ASN A 57 11.667 -13.252 7.098 1.00 0.00 C ATOM 928 OD1 ASN A 57 11.481 -12.855 5.949 1.00 0.00 O ATOM 929 ND2 ASN A 57 12.881 -13.403 7.616 1.00 0.00 N ATOM 0 H ASN A 57 8.876 -12.607 5.679 1.00 0.00 H new ATOM 0 HA ASN A 57 9.536 -14.637 6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.271 -12.747 8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.784 -14.423 8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.705 -13.187 7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.989 -13.735 8.574 1.00 0.00 H new ATOM 936 N GLY A 58 8.320 -14.545 9.405 1.00 0.00 N ATOM 937 CA GLY A 58 7.445 -15.254 10.320 1.00 0.00 C ATOM 938 C GLY A 58 6.514 -14.327 11.073 1.00 0.00 C ATOM 939 O GLY A 58 6.172 -14.582 12.228 1.00 0.00 O ATOM 0 H GLY A 58 8.943 -13.868 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.855 -15.981 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.049 -15.814 11.034 1.00 0.00 H new ATOM 943 N GLY A 59 6.101 -13.251 10.416 1.00 0.00 N ATOM 944 CA GLY A 59 5.206 -12.295 11.040 1.00 0.00 C ATOM 945 C GLY A 59 4.276 -11.644 10.038 1.00 0.00 C ATOM 946 O GLY A 59 4.534 -11.673 8.833 1.00 0.00 O ATOM 0 H GLY A 59 6.371 -13.022 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.617 -12.798 11.807 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.792 -11.526 11.543 1.00 0.00 H new ATOM 950 N GLU A 60 3.189 -11.060 10.529 1.00 0.00 N ATOM 951 CA GLU A 60 2.221 -10.406 9.658 1.00 0.00 C ATOM 952 C GLU A 60 1.709 -9.111 10.279 1.00 0.00 C ATOM 953 O GLU A 60 1.166 -9.111 11.383 1.00 0.00 O ATOM 954 CB GLU A 60 1.048 -11.344 9.370 1.00 0.00 C ATOM 955 CG GLU A 60 1.427 -12.549 8.523 1.00 0.00 C ATOM 956 CD GLU A 60 1.040 -13.864 9.171 1.00 0.00 C ATOM 957 OE1 GLU A 60 0.074 -13.874 9.965 1.00 0.00 O ATOM 958 OE2 GLU A 60 1.700 -14.885 8.885 1.00 0.00 O ATOM 0 H GLU A 60 2.957 -11.026 11.522 1.00 0.00 H new ATOM 0 HA GLU A 60 2.724 -10.162 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.631 -11.691 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.263 -10.785 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.942 -12.471 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.502 -12.539 8.345 1.00 0.00 H new ATOM 965 N ILE A 61 1.879 -8.010 9.556 1.00 0.00 N ATOM 966 CA ILE A 61 1.428 -6.708 10.028 1.00 0.00 C ATOM 967 C ILE A 61 0.125 -6.315 9.341 1.00 0.00 C ATOM 968 O ILE A 61 -0.057 -6.571 8.151 1.00 0.00 O ATOM 969 CB ILE A 61 2.484 -5.616 9.768 1.00 0.00 C ATOM 970 CG1 ILE A 61 3.860 -6.074 10.260 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.078 -4.314 10.445 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.956 -5.911 9.228 1.00 0.00 C ATOM 0 H ILE A 61 2.327 -7.994 8.640 1.00 0.00 H new ATOM 0 HA ILE A 61 1.268 -6.791 11.103 1.00 0.00 H new ATOM 0 HB ILE A 61 2.545 -5.441 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.125 -5.507 11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.802 -7.122 10.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.834 -3.553 10.252 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.119 -3.982 10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.991 -4.475 11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.902 -6.255 9.645 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.714 -6.500 8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.042 -4.860 8.952 1.00 0.00 H new ATOM 984 N HIS A 62 -0.777 -5.696 10.093 1.00 0.00 N ATOM 985 CA HIS A 62 -2.060 -5.272 9.549 1.00 0.00 C ATOM 986 C HIS A 62 -2.378 -3.839 9.961 1.00 0.00 C ATOM 987 O HIS A 62 -2.619 -3.564 11.136 1.00 0.00 O ATOM 988 CB HIS A 62 -3.166 -6.216 10.029 1.00 0.00 C ATOM 989 CG HIS A 62 -4.531 -5.855 9.524 1.00 0.00 C ATOM 990 ND1 HIS A 62 -5.688 -6.394 10.044 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.919 -5.008 8.543 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.729 -5.895 9.404 1.00 0.00 C ATOM 993 NE2 HIS A 62 -6.290 -5.050 8.490 1.00 0.00 N ATOM 0 H HIS A 62 -0.643 -5.477 11.080 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.003 -5.309 8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.928 -7.231 9.711 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.181 -6.219 11.119 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.733 -7.072 10.804 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.271 -4.411 7.918 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.764 -6.137 9.596 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.377 -2.927 8.994 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.671 -1.527 9.277 1.00 0.00 C ATOM 1004 C ALA A 63 -3.834 -1.026 8.427 1.00 0.00 C ATOM 1005 O ALA A 63 -4.098 -1.558 7.348 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.434 -0.673 9.046 1.00 0.00 C ATOM 0 H ALA A 63 -2.177 -3.130 8.015 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.964 -1.446 10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.667 0.370 9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.632 -1.009 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.115 -0.767 8.008 1.00 0.00 H new ATOM 1012 N SER A 64 -4.521 0.005 8.913 1.00 0.00 N ATOM 1013 CA SER A 64 -5.648 0.583 8.193 1.00 0.00 C ATOM 1014 C SER A 64 -5.645 2.102 8.334 1.00 0.00 C ATOM 1015 O SER A 64 -5.750 2.629 9.442 1.00 0.00 O ATOM 1016 CB SER A 64 -6.967 0.010 8.716 1.00 0.00 C ATOM 1017 OG SER A 64 -7.120 0.267 10.102 1.00 0.00 O ATOM 0 H SER A 64 -4.315 0.457 9.804 1.00 0.00 H new ATOM 0 HA SER A 64 -5.550 0.328 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.801 0.448 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.997 -1.065 8.537 1.00 0.00 H new ATOM 0 HG SER A 64 -6.685 1.116 10.327 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.514 2.803 7.213 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.489 4.261 7.228 1.00 0.00 C ATOM 1025 C ALA A 65 -6.689 4.849 6.497 1.00 0.00 C ATOM 1026 O ALA A 65 -7.297 4.194 5.649 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.196 4.773 6.613 1.00 0.00 C ATOM 0 H ALA A 65 -5.424 2.387 6.286 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.542 4.583 8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.191 5.863 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.347 4.397 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.121 4.427 5.582 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.019 6.092 6.830 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.140 6.783 6.210 1.00 0.00 C ATOM 1035 C GLU A 66 -7.756 8.217 5.861 1.00 0.00 C ATOM 1036 O GLU A 66 -6.788 8.756 6.399 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.351 6.781 7.145 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.046 7.309 8.536 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.010 6.787 9.583 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.225 6.729 9.295 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -9.553 6.438 10.690 1.00 0.00 O ATOM 0 H GLU A 66 -6.522 6.643 7.530 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.402 6.256 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.143 7.385 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.734 5.764 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.029 7.029 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.084 8.398 8.523 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.514 8.830 4.960 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.230 10.195 4.562 1.00 0.00 C ATOM 1050 C GLY A 67 -9.486 10.969 4.219 1.00 0.00 C ATOM 1051 O GLY A 67 -10.265 11.323 5.104 1.00 0.00 O ATOM 0 H GLY A 67 -9.319 8.407 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.702 10.703 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.564 10.188 3.699 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.688 11.227 2.932 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.863 11.957 2.470 1.00 0.00 C ATOM 1057 C GLN A 68 -11.536 11.236 1.299 1.00 0.00 C ATOM 1058 O GLN A 68 -12.692 11.511 0.973 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.474 13.376 2.052 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.667 14.282 1.791 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.275 14.828 3.068 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -11.979 15.950 3.479 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -13.130 14.035 3.702 1.00 0.00 N ATOM 0 H GLN A 68 -9.052 10.941 2.188 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.573 12.007 3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.856 13.819 2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.862 13.326 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.356 15.112 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.426 13.727 1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.346 13.112 3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.571 14.348 4.567 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.811 10.312 0.671 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.334 9.551 -0.457 1.00 0.00 C ATOM 1074 C ASP A 69 -10.559 8.248 -0.621 1.00 0.00 C ATOM 1075 O ASP A 69 -9.601 7.992 0.109 1.00 0.00 O ATOM 1076 CB ASP A 69 -11.252 10.377 -1.742 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.848 10.881 -2.017 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -9.452 11.896 -1.405 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -9.145 10.262 -2.842 1.00 0.00 O ATOM 0 H ASP A 69 -9.853 10.073 0.928 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.380 9.315 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.588 9.770 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.932 11.226 -1.669 1.00 0.00 H new ATOM 1084 N MET A 70 -10.974 7.425 -1.578 1.00 0.00 N ATOM 1085 CA MET A 70 -10.313 6.148 -1.828 1.00 0.00 C ATOM 1086 C MET A 70 -8.810 6.335 -2.032 1.00 0.00 C ATOM 1087 O MET A 70 -8.001 5.746 -1.316 1.00 0.00 O ATOM 1088 CB MET A 70 -10.923 5.464 -3.054 1.00 0.00 C ATOM 1089 CG MET A 70 -10.671 3.968 -3.102 1.00 0.00 C ATOM 1090 SD MET A 70 -9.064 3.555 -3.806 1.00 0.00 S ATOM 1091 CE MET A 70 -9.425 1.976 -4.573 1.00 0.00 C ATOM 0 H MET A 70 -11.764 7.619 -2.193 1.00 0.00 H new ATOM 0 HA MET A 70 -10.464 5.517 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.998 5.644 -3.063 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.516 5.922 -3.956 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.737 3.560 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.454 3.491 -3.691 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.646 1.259 -4.313 1.00 0.00 H new ATOM 0 HE2 MET A 70 -10.388 1.611 -4.217 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.460 2.097 -5.656 1.00 0.00 H new ATOM 1101 N TYR A 71 -8.447 7.154 -3.014 1.00 0.00 N ATOM 1102 CA TYR A 71 -7.044 7.418 -3.317 1.00 0.00 C ATOM 1103 C TYR A 71 -6.284 7.889 -2.077 1.00 0.00 C ATOM 1104 O TYR A 71 -5.160 7.453 -1.822 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.934 8.471 -4.424 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.309 7.953 -5.700 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.624 6.691 -6.190 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -5.406 8.727 -6.415 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.054 6.216 -7.358 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -4.832 8.261 -7.583 1.00 0.00 C ATOM 1111 CZ TYR A 71 -5.161 7.006 -8.050 1.00 0.00 C ATOM 1112 OH TYR A 71 -4.592 6.538 -9.213 1.00 0.00 O ATOM 0 H TYR A 71 -9.107 7.648 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.594 6.485 -3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.929 8.855 -4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.344 9.311 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.325 6.071 -5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.147 9.711 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.307 5.232 -7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.130 8.876 -8.126 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.621 6.472 -9.099 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.904 8.782 -1.312 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.284 9.316 -0.104 1.00 0.00 C ATOM 1124 C ALA A 72 -5.991 8.209 0.906 1.00 0.00 C ATOM 1125 O ALA A 72 -4.889 8.125 1.445 1.00 0.00 O ATOM 1126 CB ALA A 72 -7.177 10.380 0.518 1.00 0.00 C ATOM 0 H ALA A 72 -7.835 9.151 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.334 9.770 -0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.704 10.771 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.327 11.191 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.141 9.941 0.776 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.986 7.366 1.160 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.840 6.267 2.109 1.00 0.00 C ATOM 1134 C ALA A 73 -5.608 5.418 1.800 1.00 0.00 C ATOM 1135 O ALA A 73 -4.976 4.875 2.704 1.00 0.00 O ATOM 1136 CB ALA A 73 -8.090 5.401 2.106 1.00 0.00 C ATOM 0 H ALA A 73 -7.905 7.423 0.721 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.706 6.699 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.969 4.585 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.952 6.005 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.247 4.992 1.108 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.278 5.305 0.517 1.00 0.00 N ATOM 1143 CA ILE A 74 -4.125 4.518 0.093 1.00 0.00 C ATOM 1144 C ILE A 74 -2.814 5.202 0.468 1.00 0.00 C ATOM 1145 O ILE A 74 -1.930 4.583 1.058 1.00 0.00 O ATOM 1146 CB ILE A 74 -4.145 4.268 -1.428 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.492 3.678 -1.852 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -3.007 3.340 -1.830 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.765 2.311 -1.265 1.00 0.00 C ATOM 0 H ILE A 74 -5.791 5.747 -0.245 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.190 3.563 0.614 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.008 5.221 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.288 4.359 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.524 3.610 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.036 3.174 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.054 3.794 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.115 2.387 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.736 1.955 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.989 1.616 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.766 2.376 -0.177 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.690 6.477 0.115 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.479 7.240 0.409 1.00 0.00 C ATOM 1163 C ASP A 75 -1.087 7.127 1.882 1.00 0.00 C ATOM 1164 O ASP A 75 0.045 6.769 2.208 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.676 8.710 0.036 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.378 9.492 0.058 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.532 9.155 -0.729 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.271 10.442 0.863 1.00 0.00 O ATOM 0 H ASP A 75 -3.412 7.005 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.671 6.819 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.118 8.773 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.383 9.166 0.729 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.028 7.439 2.765 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.759 7.371 4.190 1.00 0.00 C ATOM 1175 C GLY A 76 -1.365 5.980 4.648 1.00 0.00 C ATOM 1176 O GLY A 76 -0.402 5.817 5.398 1.00 0.00 O ATOM 0 H GLY A 76 -2.972 7.738 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.960 8.070 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.645 7.692 4.738 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.115 4.978 4.206 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.845 3.596 4.584 1.00 0.00 C ATOM 1182 C LEU A 77 -0.469 3.146 4.096 1.00 0.00 C ATOM 1183 O LEU A 77 0.264 2.471 4.817 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.930 2.671 4.021 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.079 1.318 4.727 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.017 0.343 4.250 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -3.009 1.482 6.239 1.00 0.00 C ATOM 0 H LEU A 77 -2.915 5.096 3.585 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.854 3.539 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.886 3.192 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.717 2.489 2.968 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.059 0.913 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.141 -0.610 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.118 0.192 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.028 0.747 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.117 0.508 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.048 1.916 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.812 2.140 6.571 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.119 3.529 2.873 1.00 0.00 N ATOM 1200 CA ILE A 78 1.173 3.162 2.305 1.00 0.00 C ATOM 1201 C ILE A 78 2.313 3.892 3.012 1.00 0.00 C ATOM 1202 O ILE A 78 3.466 3.464 2.955 1.00 0.00 O ATOM 1203 CB ILE A 78 1.230 3.463 0.791 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.189 2.623 0.048 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.624 3.193 0.239 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.461 1.138 0.110 1.00 0.00 C ATOM 0 H ILE A 78 -0.708 4.091 2.259 1.00 0.00 H new ATOM 0 HA ILE A 78 1.292 2.089 2.453 1.00 0.00 H new ATOM 0 HB ILE A 78 1.003 4.518 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.796 2.822 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.158 2.936 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.641 3.412 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.347 3.828 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.882 2.146 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.315 0.603 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.432 0.927 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.463 0.812 1.150 1.00 0.00 H new ATOM 1218 N ASP A 79 1.984 4.987 3.692 1.00 0.00 N ATOM 1219 CA ASP A 79 2.987 5.756 4.415 1.00 0.00 C ATOM 1220 C ASP A 79 3.362 5.056 5.716 1.00 0.00 C ATOM 1221 O ASP A 79 4.538 4.790 5.975 1.00 0.00 O ATOM 1222 CB ASP A 79 2.467 7.165 4.709 1.00 0.00 C ATOM 1223 CG ASP A 79 3.548 8.220 4.574 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.462 8.031 3.745 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.480 9.237 5.297 1.00 0.00 O ATOM 0 H ASP A 79 1.036 5.358 3.756 1.00 0.00 H new ATOM 0 HA ASP A 79 3.877 5.832 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.649 7.397 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.058 7.195 5.719 1.00 0.00 H new ATOM 1230 N LYS A 80 2.356 4.757 6.530 1.00 0.00 N ATOM 1231 CA LYS A 80 2.576 4.082 7.805 1.00 0.00 C ATOM 1232 C LYS A 80 3.165 2.692 7.587 1.00 0.00 C ATOM 1233 O LYS A 80 4.051 2.261 8.325 1.00 0.00 O ATOM 1234 CB LYS A 80 1.263 3.976 8.585 1.00 0.00 C ATOM 1235 CG LYS A 80 0.560 5.307 8.779 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.883 5.115 9.220 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.743 6.318 8.860 1.00 0.00 C ATOM 1238 NZ LYS A 80 -2.095 7.126 10.060 1.00 0.00 N ATOM 0 H LYS A 80 1.379 4.971 6.330 1.00 0.00 H new ATOM 0 HA LYS A 80 3.286 4.673 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.593 3.294 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.465 3.536 9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.094 5.897 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.585 5.872 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.292 4.221 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.916 4.952 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.211 6.944 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.656 5.979 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.681 7.936 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.625 6.536 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.225 7.471 10.513 1.00 0.00 H new ATOM 1252 N LEU A 81 2.667 1.994 6.570 1.00 0.00 N ATOM 1253 CA LEU A 81 3.145 0.652 6.258 1.00 0.00 C ATOM 1254 C LEU A 81 4.639 0.662 5.952 1.00 0.00 C ATOM 1255 O LEU A 81 5.394 -0.155 6.480 1.00 0.00 O ATOM 1256 CB LEU A 81 2.371 0.073 5.068 1.00 0.00 C ATOM 1257 CG LEU A 81 1.050 -0.623 5.412 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.288 -2.093 5.714 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.362 0.057 6.588 1.00 0.00 C ATOM 0 H LEU A 81 1.933 2.336 5.949 1.00 0.00 H new ATOM 0 HA LEU A 81 2.977 0.023 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.163 0.880 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.013 -0.641 4.553 1.00 0.00 H new ATOM 0 HG LEU A 81 0.392 -0.546 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.340 -2.573 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.727 -2.577 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.968 -2.185 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.573 -0.458 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.013 0.020 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.153 1.096 6.336 1.00 0.00 H new ATOM 1271 N ALA A 82 5.063 1.592 5.100 1.00 0.00 N ATOM 1272 CA ALA A 82 6.471 1.700 4.733 1.00 0.00 C ATOM 1273 C ALA A 82 7.350 1.843 5.972 1.00 0.00 C ATOM 1274 O ALA A 82 8.184 0.986 6.256 1.00 0.00 O ATOM 1275 CB ALA A 82 6.685 2.876 3.791 1.00 0.00 C ATOM 0 H ALA A 82 4.455 2.278 4.653 1.00 0.00 H new ATOM 0 HA ALA A 82 6.758 0.783 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.740 2.943 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.093 2.731 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.375 3.798 4.283 1.00 0.00 H new ATOM 1281 N ARG A 83 7.152 2.935 6.707 1.00 0.00 N ATOM 1282 CA ARG A 83 7.926 3.194 7.919 1.00 0.00 C ATOM 1283 C ARG A 83 7.937 1.973 8.835 1.00 0.00 C ATOM 1284 O ARG A 83 8.905 1.734 9.560 1.00 0.00 O ATOM 1285 CB ARG A 83 7.352 4.400 8.665 1.00 0.00 C ATOM 1286 CG ARG A 83 7.856 5.736 8.145 1.00 0.00 C ATOM 1287 CD ARG A 83 9.292 5.997 8.576 1.00 0.00 C ATOM 1288 NE ARG A 83 9.365 6.943 9.687 1.00 0.00 N ATOM 1289 CZ ARG A 83 9.266 8.262 9.545 1.00 0.00 C ATOM 1290 NH1 ARG A 83 9.086 8.795 8.343 1.00 0.00 N ATOM 1291 NH2 ARG A 83 9.348 9.052 10.608 1.00 0.00 N ATOM 0 H ARG A 83 6.463 3.654 6.485 1.00 0.00 H new ATOM 0 HA ARG A 83 8.953 3.410 7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.265 4.378 8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.601 4.314 9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.793 5.751 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.214 6.536 8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.760 5.057 8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.860 6.386 7.731 1.00 0.00 H new ATOM 0 HE ARG A 83 9.500 6.570 10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.023 8.193 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.011 9.807 8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.487 8.648 11.534 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.272 10.063 10.499 1.00 0.00 H new ATOM 1305 N GLN A 84 6.859 1.195 8.791 1.00 0.00 N ATOM 1306 CA GLN A 84 6.749 -0.005 9.612 1.00 0.00 C ATOM 1307 C GLN A 84 7.656 -1.106 9.078 1.00 0.00 C ATOM 1308 O GLN A 84 8.285 -1.835 9.846 1.00 0.00 O ATOM 1309 CB GLN A 84 5.300 -0.492 9.649 1.00 0.00 C ATOM 1310 CG GLN A 84 4.471 0.143 10.754 1.00 0.00 C ATOM 1311 CD GLN A 84 4.518 -0.649 12.046 1.00 0.00 C ATOM 1312 OE1 GLN A 84 4.854 -0.116 13.103 1.00 0.00 O ATOM 1313 NE2 GLN A 84 4.181 -1.931 11.966 1.00 0.00 N ATOM 0 H GLN A 84 6.050 1.375 8.196 1.00 0.00 H new ATOM 0 HA GLN A 84 7.064 0.244 10.625 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.831 -0.282 8.688 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.293 -1.574 9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.832 1.155 10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.436 0.230 10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.909 -2.332 11.068 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.194 -2.515 12.802 1.00 0.00 H new ATOM 1322 N LEU A 85 7.722 -1.219 7.755 1.00 0.00 N ATOM 1323 CA LEU A 85 8.556 -2.230 7.118 1.00 0.00 C ATOM 1324 C LEU A 85 10.022 -2.034 7.488 1.00 0.00 C ATOM 1325 O LEU A 85 10.732 -2.997 7.775 1.00 0.00 O ATOM 1326 CB LEU A 85 8.387 -2.191 5.596 1.00 0.00 C ATOM 1327 CG LEU A 85 7.218 -3.018 5.055 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.045 -2.122 4.689 1.00 0.00 C ATOM 1329 CD2 LEU A 85 7.658 -3.841 3.852 1.00 0.00 C ATOM 0 H LEU A 85 7.209 -0.624 7.105 1.00 0.00 H new ATOM 0 HA LEU A 85 8.235 -3.207 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.253 -1.154 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.308 -2.545 5.134 1.00 0.00 H new ATOM 0 HG LEU A 85 6.892 -3.700 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.226 -2.732 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.711 -1.580 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.355 -1.411 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.814 -4.423 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.014 -3.175 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.462 -4.516 4.147 1.00 0.00 H new ATOM 1341 N THR A 86 10.469 -0.783 7.485 1.00 0.00 N ATOM 1342 CA THR A 86 11.852 -0.467 7.826 1.00 0.00 C ATOM 1343 C THR A 86 12.139 -0.806 9.285 1.00 0.00 C ATOM 1344 O THR A 86 13.216 -1.302 9.619 1.00 0.00 O ATOM 1345 CB THR A 86 12.139 1.012 7.570 1.00 0.00 C ATOM 1346 OG1 THR A 86 11.630 1.413 6.311 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.615 1.349 7.596 1.00 0.00 C ATOM 0 H THR A 86 9.896 0.027 7.251 1.00 0.00 H new ATOM 0 HA THR A 86 12.504 -1.070 7.193 1.00 0.00 H new ATOM 0 HB THR A 86 11.646 1.545 8.383 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.504 0.624 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.748 2.414 7.407 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.028 1.099 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.133 0.777 6.826 1.00 0.00 H new ATOM 1355 N LYS A 87 11.166 -0.534 10.151 1.00 0.00 N ATOM 1356 CA LYS A 87 11.311 -0.806 11.578 1.00 0.00 C ATOM 1357 C LYS A 87 11.686 -2.265 11.829 1.00 0.00 C ATOM 1358 O LYS A 87 12.747 -2.555 12.383 1.00 0.00 O ATOM 1359 CB LYS A 87 10.014 -0.467 12.315 1.00 0.00 C ATOM 1360 CG LYS A 87 10.173 -0.396 13.825 1.00 0.00 C ATOM 1361 CD LYS A 87 10.995 0.813 14.242 1.00 0.00 C ATOM 1362 CE LYS A 87 11.344 0.765 15.720 1.00 0.00 C ATOM 1363 NZ LYS A 87 12.638 0.068 15.964 1.00 0.00 N ATOM 0 H LYS A 87 10.269 -0.125 9.889 1.00 0.00 H new ATOM 0 HA LYS A 87 12.116 -0.178 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.639 0.490 11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.261 -1.217 12.072 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.190 -0.348 14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.654 -1.306 14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.911 0.853 13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.438 1.725 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.399 1.780 16.113 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.549 0.255 16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.839 0.057 16.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.578 -0.909 15.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.401 0.569 15.466 1.00 0.00 H new ATOM 1377 N HIS A 88 10.808 -3.178 11.429 1.00 0.00 N ATOM 1378 CA HIS A 88 11.049 -4.604 11.621 1.00 0.00 C ATOM 1379 C HIS A 88 12.209 -5.095 10.756 1.00 0.00 C ATOM 1380 O HIS A 88 12.854 -6.092 11.077 1.00 0.00 O ATOM 1381 CB HIS A 88 9.776 -5.411 11.323 1.00 0.00 C ATOM 1382 CG HIS A 88 9.516 -5.650 9.865 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.376 -5.213 9.223 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.249 -6.297 8.927 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.420 -5.581 7.954 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.545 -6.238 7.750 1.00 0.00 N ATOM 0 H HIS A 88 9.924 -2.957 10.970 1.00 0.00 H new ATOM 0 HA HIS A 88 11.324 -4.757 12.665 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.845 -6.374 11.829 1.00 0.00 H new ATOM 0 HB3 HIS A 88 8.921 -4.887 11.750 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.208 -6.771 9.077 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.663 -5.378 7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 88 9.844 -6.638 6.861 1.00 0.00 H new ATOM 1395 N LYS A 89 12.469 -4.392 9.658 1.00 0.00 N ATOM 1396 CA LYS A 89 13.552 -4.765 8.752 1.00 0.00 C ATOM 1397 C LYS A 89 14.914 -4.383 9.330 1.00 0.00 C ATOM 1398 O LYS A 89 15.950 -4.862 8.866 1.00 0.00 O ATOM 1399 CB LYS A 89 13.358 -4.096 7.390 1.00 0.00 C ATOM 1400 CG LYS A 89 14.331 -4.581 6.326 1.00 0.00 C ATOM 1401 CD LYS A 89 14.881 -3.426 5.501 1.00 0.00 C ATOM 1402 CE LYS A 89 14.687 -3.661 4.012 1.00 0.00 C ATOM 1403 NZ LYS A 89 15.667 -4.646 3.473 1.00 0.00 N ATOM 0 H LYS A 89 11.947 -3.563 9.374 1.00 0.00 H new ATOM 0 HA LYS A 89 13.526 -5.848 8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.339 -4.278 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.468 -3.018 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.155 -5.114 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.829 -5.291 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.384 -2.501 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.942 -3.298 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.674 -4.020 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.791 -2.716 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.739 -4.535 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.599 -4.481 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.348 -5.610 3.696 1.00 0.00 H new ATOM 1417 N ASP A 90 14.913 -3.523 10.346 1.00 0.00 N ATOM 1418 CA ASP A 90 16.152 -3.086 10.979 1.00 0.00 C ATOM 1419 C ASP A 90 16.751 -4.197 11.835 1.00 0.00 C ATOM 1420 O ASP A 90 17.966 -4.397 11.850 1.00 0.00 O ATOM 1421 CB ASP A 90 15.903 -1.845 11.836 1.00 0.00 C ATOM 1422 CG ASP A 90 15.713 -0.594 11.001 1.00 0.00 C ATOM 1423 OD1 ASP A 90 16.392 -0.466 9.960 1.00 0.00 O ATOM 1424 OD2 ASP A 90 14.887 0.259 11.388 1.00 0.00 O ATOM 0 H ASP A 90 14.068 -3.116 10.747 1.00 0.00 H new ATOM 0 HA ASP A 90 16.862 -2.838 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.019 -2.004 12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.744 -1.701 12.515 1.00 0.00 H new