USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 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 46 TYR OH : rot -130:sc= 0.259 USER MOD Set 1.2: A 50 MET CE :methyl -170:sc= -0.398 (180deg=-0.538) USER MOD Set 2.1: A 22 TYR OH : rot 165:sc= 0.278 USER MOD Set 2.2: A 26 GLN : amide:sc= 0.294 X(o=0.57,f=0.47) USER MOD Set 3.1: A 15 THR OG1 : rot -69:sc= 1.17 USER MOD Set 3.2: A 42 GLN : amide:sc= -0.562 X(o=0.6,f=0.12) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= 0.879 (180deg=0.679) USER MOD Single : A 5 GLN : amide:sc= -0.0599 K(o=-0.06,f=-2.6!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 179:sc= 0 (180deg=-0.000492) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00982 X(o=-0.0098,f=-0.0098) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 21 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.057) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.387 K(o=0.39,f=-0.21) USER MOD Single : A 34 GLN : amide:sc= 0.911 K(o=0.91,f=-0.39) USER MOD Single : A 35 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.12) USER MOD Single : A 40 GLN : amide:sc= 0.0653 X(o=0.065,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.914 X(o=-0.91,f=-1.3) USER MOD Single : A 45 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=-0.13) USER MOD Single : A 47 GLN : amide:sc= 0.85 K(o=0.85,f=-0.33) USER MOD Single : A 48 GLN : amide:sc= -0.849 K(o=-0.85,f=-1.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 5.352 -0.661 -6.125 1.00 25.00 N ATOM 54 CA LYS A 4 5.469 0.543 -6.968 1.00 25.00 C ATOM 55 C LYS A 4 4.653 0.422 -8.251 1.00 25.00 C ATOM 56 O LYS A 4 3.952 1.348 -8.645 1.00 25.00 O ATOM 57 CB LYS A 4 6.950 0.753 -7.307 1.00 25.00 C ATOM 58 CG LYS A 4 7.268 1.958 -8.215 1.00 25.00 C ATOM 59 CD LYS A 4 8.765 2.022 -8.553 1.00 25.00 C ATOM 60 CE LYS A 4 9.166 3.351 -9.242 1.00 25.00 C ATOM 61 NZ LYS A 4 8.496 3.580 -10.574 1.00 25.00 N ATOM 0 HA LYS A 4 5.074 1.396 -6.417 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.503 0.869 -6.375 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.324 -0.150 -7.790 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.688 1.886 -9.135 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.965 2.880 -7.719 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.345 1.902 -7.638 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.022 1.187 -9.205 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.923 4.180 -8.578 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.247 3.363 -9.384 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 8.562 4.586 -10.827 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 8.968 3.008 -11.303 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 7.495 3.304 -10.511 1.00 25.00 H new ATOM 75 N GLN A 5 4.740 -0.737 -8.884 1.00 25.00 N ATOM 76 CA GLN A 5 4.053 -0.990 -10.151 1.00 25.00 C ATOM 77 C GLN A 5 2.528 -0.853 -10.042 1.00 25.00 C ATOM 78 O GLN A 5 1.887 -0.371 -10.967 1.00 25.00 O ATOM 79 CB GLN A 5 4.436 -2.393 -10.642 1.00 25.00 C ATOM 80 CG GLN A 5 3.924 -2.748 -12.044 1.00 25.00 C ATOM 81 CD GLN A 5 2.686 -3.634 -12.021 1.00 25.00 C ATOM 82 OE1 GLN A 5 1.948 -3.670 -11.051 1.00 25.00 O ATOM 83 NE2 GLN A 5 2.476 -4.367 -13.081 1.00 25.00 N ATOM 0 H GLN A 5 5.284 -1.528 -8.541 1.00 25.00 H new ATOM 0 HA GLN A 5 4.372 -0.233 -10.868 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.522 -2.481 -10.635 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.052 -3.127 -9.934 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.696 -1.829 -12.584 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.716 -3.254 -12.596 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.115 -4.311 -13.874 1.00 25.00 H new ATOM 0 HE22 GLN A 5 1.673 -4.996 -13.116 1.00 25.00 H new ATOM 92 N GLN A 6 1.958 -1.236 -8.909 1.00 25.00 N ATOM 93 CA GLN A 6 0.507 -1.169 -8.724 1.00 25.00 C ATOM 94 C GLN A 6 0.025 0.273 -8.734 1.00 25.00 C ATOM 95 O GLN A 6 -1.007 0.599 -9.314 1.00 25.00 O ATOM 96 CB GLN A 6 0.125 -1.812 -7.390 1.00 25.00 C ATOM 97 CG GLN A 6 0.403 -3.312 -7.345 1.00 25.00 C ATOM 98 CD GLN A 6 0.049 -3.926 -6.011 1.00 25.00 C ATOM 99 OE1 GLN A 6 0.920 -4.248 -5.223 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.221 -4.099 -5.757 1.00 25.00 N ATOM 0 H GLN A 6 2.471 -1.596 -8.104 1.00 25.00 H new ATOM 0 HA GLN A 6 0.035 -1.706 -9.547 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.676 -1.323 -6.587 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.934 -1.639 -7.201 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -0.166 -3.807 -8.132 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.458 -3.489 -7.554 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.921 -3.816 -6.443 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.512 -4.517 -4.873 1.00 25.00 H new ATOM 109 N ILE A 7 0.790 1.140 -8.093 1.00 25.00 N ATOM 110 CA ILE A 7 0.436 2.552 -8.005 1.00 25.00 C ATOM 111 C ILE A 7 0.563 3.171 -9.396 1.00 25.00 C ATOM 112 O ILE A 7 -0.283 3.950 -9.829 1.00 25.00 O ATOM 113 CB ILE A 7 1.373 3.295 -7.022 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.348 2.638 -5.628 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.969 4.784 -6.889 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.704 2.673 -4.933 1.00 25.00 C ATOM 0 H ILE A 7 1.662 0.894 -7.624 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.586 2.643 -7.637 1.00 25.00 H new ATOM 0 HB ILE A 7 2.382 3.232 -7.428 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.612 3.147 -5.005 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.022 1.603 -5.725 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.643 5.283 -6.193 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.032 5.267 -7.864 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.053 4.852 -6.516 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.625 2.196 -3.956 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.437 2.140 -5.538 1.00 25.00 H new ATOM 0 HD13 ILE A 7 3.022 3.708 -4.807 1.00 25.00 H new ATOM 128 N MET A 8 1.604 2.783 -10.119 1.00 25.00 N ATOM 129 CA MET A 8 1.806 3.286 -11.476 1.00 25.00 C ATOM 130 C MET A 8 0.674 2.847 -12.393 1.00 25.00 C ATOM 131 O MET A 8 0.240 3.613 -13.238 1.00 25.00 O ATOM 132 CB MET A 8 3.127 2.786 -12.052 1.00 25.00 C ATOM 133 CG MET A 8 4.340 3.314 -11.327 1.00 25.00 C ATOM 134 SD MET A 8 5.842 2.725 -12.093 1.00 25.00 S ATOM 135 CE MET A 8 6.019 3.942 -13.397 1.00 25.00 C ATOM 0 H MET A 8 2.317 2.129 -9.796 1.00 25.00 H new ATOM 0 HA MET A 8 1.824 4.374 -11.417 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.139 1.697 -12.018 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.188 3.073 -13.102 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.327 4.404 -11.332 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.311 3.000 -10.284 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.924 3.734 -13.968 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.154 3.895 -14.058 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.087 4.938 -12.959 1.00 25.00 H new ATOM 145 N ALA A 9 0.181 1.630 -12.214 1.00 25.00 N ATOM 146 CA ALA A 9 -0.914 1.125 -13.036 1.00 25.00 C ATOM 147 C ALA A 9 -2.169 1.984 -12.844 1.00 25.00 C ATOM 148 O ALA A 9 -2.899 2.251 -13.797 1.00 25.00 O ATOM 149 CB ALA A 9 -1.202 -0.341 -12.688 1.00 25.00 C ATOM 0 H ALA A 9 0.519 0.974 -11.510 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.621 1.181 -14.084 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.021 -0.708 -13.307 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.311 -0.941 -12.873 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.480 -0.418 -11.637 1.00 25.00 H new ATOM 155 N ALA A 10 -2.400 2.444 -11.621 1.00 25.00 N ATOM 156 CA ALA A 10 -3.541 3.312 -11.346 1.00 25.00 C ATOM 157 C ALA A 10 -3.383 4.643 -12.093 1.00 25.00 C ATOM 158 O ALA A 10 -4.323 5.123 -12.725 1.00 25.00 O ATOM 159 CB ALA A 10 -3.674 3.549 -9.834 1.00 25.00 C ATOM 0 H ALA A 10 -1.819 2.234 -10.809 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.450 2.825 -11.698 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.528 4.198 -9.641 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.821 2.595 -9.328 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.767 4.023 -9.459 1.00 25.00 H new ATOM 165 N LEU A 11 -2.188 5.218 -12.052 1.00 25.00 N ATOM 166 CA LEU A 11 -1.925 6.477 -12.758 1.00 25.00 C ATOM 167 C LEU A 11 -2.059 6.285 -14.265 1.00 25.00 C ATOM 168 O LEU A 11 -2.578 7.149 -14.961 1.00 25.00 O ATOM 169 CB LEU A 11 -0.516 7.006 -12.452 1.00 25.00 C ATOM 170 CG LEU A 11 -0.182 7.378 -10.996 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.256 7.873 -10.941 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.108 8.456 -10.434 1.00 25.00 C ATOM 0 H LEU A 11 -1.388 4.841 -11.544 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.661 7.201 -12.410 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.201 6.252 -12.776 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.350 7.890 -13.068 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.320 6.487 -10.384 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.509 8.141 -9.915 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.925 7.085 -11.286 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.364 8.748 -11.582 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.826 8.678 -9.405 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.022 9.360 -11.037 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.138 8.100 -10.459 1.00 25.00 H new ATOM 184 N ASN A 12 -1.601 5.145 -14.766 1.00 25.00 N ATOM 185 CA ASN A 12 -1.667 4.855 -16.202 1.00 25.00 C ATOM 186 C ASN A 12 -3.126 4.773 -16.636 1.00 25.00 C ATOM 187 O ASN A 12 -3.489 5.257 -17.695 1.00 25.00 O ATOM 188 CB ASN A 12 -0.969 3.521 -16.538 1.00 25.00 C ATOM 189 CG ASN A 12 0.544 3.646 -16.666 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.138 4.533 -15.915 1.00 25.00 O flip ATOM 191 ND2 ASN A 12 1.165 2.923 -17.427 1.00 25.00 N flip ATOM 0 H ASN A 12 -1.180 4.404 -14.205 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.155 5.658 -16.733 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.202 2.792 -15.762 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.374 3.132 -17.472 1.00 25.00 H new ATOM 0 HD21 ASN A 12 0.669 2.240 -18.000 1.00 25.00 H new ATOM 0 HD22 ASN A 12 2.180 3.001 -17.490 1.00 25.00 H new ATOM 198 N SER A 13 -3.966 4.181 -15.801 1.00 25.00 N ATOM 199 CA SER A 13 -5.391 4.057 -16.110 1.00 25.00 C ATOM 200 C SER A 13 -6.046 5.436 -16.211 1.00 25.00 C ATOM 201 O SER A 13 -6.838 5.698 -17.111 1.00 25.00 O ATOM 202 CB SER A 13 -6.083 3.227 -15.025 1.00 25.00 C ATOM 203 OG SER A 13 -7.449 3.016 -15.330 1.00 25.00 O ATOM 0 H SER A 13 -3.691 3.778 -14.905 1.00 25.00 H new ATOM 0 HA SER A 13 -5.497 3.556 -17.072 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.579 2.266 -14.923 1.00 25.00 H new ATOM 0 HB3 SER A 13 -5.997 3.736 -14.065 1.00 25.00 H new ATOM 0 HG SER A 13 -7.864 2.482 -14.621 1.00 25.00 H new ATOM 209 N GLN A 14 -5.683 6.327 -15.298 1.00 25.00 N ATOM 210 CA GLN A 14 -6.243 7.680 -15.276 1.00 25.00 C ATOM 211 C GLN A 14 -5.772 8.540 -16.451 1.00 25.00 C ATOM 212 O GLN A 14 -6.524 9.364 -16.965 1.00 25.00 O ATOM 213 CB GLN A 14 -5.829 8.385 -13.976 1.00 25.00 C ATOM 214 CG GLN A 14 -6.455 7.797 -12.713 1.00 25.00 C ATOM 215 CD GLN A 14 -7.944 8.050 -12.635 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.390 9.181 -12.606 1.00 25.00 O ATOM 217 NE2 GLN A 14 -8.716 6.996 -12.587 1.00 25.00 N ATOM 0 H GLN A 14 -5.003 6.141 -14.561 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.325 7.570 -15.348 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.744 8.342 -13.883 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.101 9.438 -14.045 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -6.270 6.723 -12.685 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.970 8.227 -11.837 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -8.306 6.062 -12.614 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -9.728 7.107 -12.523 1.00 25.00 H new ATOM 226 N THR A 15 -4.515 8.390 -16.841 1.00 25.00 N ATOM 227 CA THR A 15 -3.903 9.313 -17.800 1.00 25.00 C ATOM 228 C THR A 15 -3.697 8.783 -19.215 1.00 25.00 C ATOM 229 O THR A 15 -3.235 9.526 -20.065 1.00 25.00 O ATOM 230 CB THR A 15 -2.531 9.792 -17.282 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.670 8.668 -17.074 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.675 10.529 -15.957 1.00 25.00 C ATOM 0 H THR A 15 -3.899 7.646 -16.514 1.00 25.00 H new ATOM 0 HA THR A 15 -4.635 10.118 -17.875 1.00 25.00 H new ATOM 0 HB THR A 15 -2.111 10.465 -18.029 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.993 8.146 -16.310 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.693 10.856 -15.614 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.320 11.397 -16.092 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.115 9.862 -15.216 1.00 25.00 H new ATOM 240 N ALA A 16 -4.053 7.535 -19.487 1.00 25.00 N ATOM 241 CA ALA A 16 -3.821 6.934 -20.810 1.00 25.00 C ATOM 242 C ALA A 16 -4.300 7.805 -21.990 1.00 25.00 C ATOM 243 O ALA A 16 -3.492 8.310 -22.768 1.00 25.00 O ATOM 244 CB ALA A 16 -4.486 5.545 -20.872 1.00 25.00 C ATOM 0 H ALA A 16 -4.503 6.913 -18.816 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.740 6.848 -20.923 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.313 5.102 -21.853 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.058 4.902 -20.103 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.558 5.647 -20.704 1.00 25.00 H new ATOM 250 N VAL A 17 -5.608 7.977 -22.127 1.00 25.00 N ATOM 251 CA VAL A 17 -6.153 8.754 -23.247 1.00 25.00 C ATOM 252 C VAL A 17 -5.822 10.242 -23.089 1.00 25.00 C ATOM 253 O VAL A 17 -5.675 10.965 -24.072 1.00 25.00 O ATOM 254 CB VAL A 17 -7.697 8.527 -23.401 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.485 9.139 -22.230 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.203 9.089 -24.742 1.00 25.00 C ATOM 0 H VAL A 17 -6.308 7.597 -21.490 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.679 8.400 -24.163 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.867 7.450 -23.387 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.550 8.960 -22.375 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.164 8.679 -21.295 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.300 10.212 -22.189 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.277 8.920 -24.826 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.000 10.159 -24.788 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.691 8.587 -25.563 1.00 25.00 H new ATOM 266 N GLN A 18 -5.665 10.690 -21.852 1.00 25.00 N ATOM 267 CA GLN A 18 -5.361 12.091 -21.572 1.00 25.00 C ATOM 268 C GLN A 18 -4.003 12.465 -22.163 1.00 25.00 C ATOM 269 O GLN A 18 -3.859 13.472 -22.856 1.00 25.00 O ATOM 270 CB GLN A 18 -5.350 12.309 -20.055 1.00 25.00 C ATOM 271 CG GLN A 18 -5.242 13.760 -19.624 1.00 25.00 C ATOM 272 CD GLN A 18 -5.150 13.888 -18.120 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.180 13.472 -17.515 1.00 25.00 O ATOM 274 NE2 GLN A 18 -6.165 14.446 -17.513 1.00 25.00 N ATOM 0 H GLN A 18 -5.743 10.103 -21.021 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.123 12.724 -22.027 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.262 11.886 -19.634 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.515 11.754 -19.628 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.363 14.212 -20.083 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.109 14.313 -19.985 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.961 14.783 -18.055 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -6.161 14.544 -16.498 1.00 25.00 H new ATOM 283 N PHE A 19 -3.010 11.629 -21.908 1.00 25.00 N ATOM 284 CA PHE A 19 -1.663 11.867 -22.397 1.00 25.00 C ATOM 285 C PHE A 19 -1.568 11.541 -23.878 1.00 25.00 C ATOM 286 O PHE A 19 -0.730 12.090 -24.571 1.00 25.00 O ATOM 287 CB PHE A 19 -0.654 11.022 -21.614 1.00 25.00 C ATOM 288 CG PHE A 19 -0.403 11.495 -20.185 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.992 12.674 -19.655 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.460 10.749 -19.361 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.718 13.085 -18.326 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.746 11.162 -18.034 1.00 25.00 C ATOM 293 CZ PHE A 19 0.157 12.331 -17.521 1.00 25.00 C ATOM 0 H PHE A 19 -3.113 10.774 -21.361 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.430 12.922 -22.253 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.008 9.992 -21.585 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.293 11.018 -22.153 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.655 13.263 -20.271 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.912 9.847 -19.745 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.181 13.977 -17.931 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.415 10.579 -17.419 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.375 12.650 -16.512 1.00 25.00 H new ATOM 303 N GLN A 20 -2.451 10.688 -24.380 1.00 25.00 N ATOM 304 CA GLN A 20 -2.462 10.369 -25.808 1.00 25.00 C ATOM 305 C GLN A 20 -2.744 11.613 -26.647 1.00 25.00 C ATOM 306 O GLN A 20 -2.139 11.805 -27.698 1.00 25.00 O ATOM 307 CB GLN A 20 -3.507 9.290 -26.111 1.00 25.00 C ATOM 308 CG GLN A 20 -3.396 8.709 -27.516 1.00 25.00 C ATOM 309 CD GLN A 20 -4.505 7.726 -27.820 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.946 6.985 -26.961 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.967 7.728 -29.043 1.00 25.00 N ATOM 0 H GLN A 20 -3.163 10.207 -23.830 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.474 9.991 -26.071 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.405 8.484 -25.385 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.503 9.714 -25.980 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.422 9.519 -28.245 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.432 8.212 -27.626 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -4.572 8.364 -29.736 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.722 7.094 -29.304 1.00 25.00 H new ATOM 320 N GLN A 21 -3.634 12.477 -26.173 1.00 25.00 N ATOM 321 CA GLN A 21 -3.954 13.706 -26.906 1.00 25.00 C ATOM 322 C GLN A 21 -2.721 14.607 -26.979 1.00 25.00 C ATOM 323 O GLN A 21 -2.398 15.154 -28.028 1.00 25.00 O ATOM 324 CB GLN A 21 -5.107 14.458 -26.226 1.00 25.00 C ATOM 325 CG GLN A 21 -6.413 13.661 -26.153 1.00 25.00 C ATOM 326 CD GLN A 21 -6.920 13.240 -27.513 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.040 14.042 -28.420 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.218 11.974 -27.658 1.00 25.00 N ATOM 0 H GLN A 21 -4.143 12.357 -25.297 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.263 13.434 -27.915 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.803 14.731 -25.216 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.290 15.387 -26.766 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.258 12.775 -25.538 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.174 14.264 -25.658 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.105 11.330 -26.875 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -7.564 11.631 -28.554 1.00 25.00 H new ATOM 337 N TYR A 22 -2.008 14.716 -25.869 1.00 25.00 N ATOM 338 CA TYR A 22 -0.783 15.512 -25.816 1.00 25.00 C ATOM 339 C TYR A 22 0.312 14.892 -26.682 1.00 25.00 C ATOM 340 O TYR A 22 1.040 15.588 -27.379 1.00 25.00 O ATOM 341 CB TYR A 22 -0.293 15.599 -24.372 1.00 25.00 C ATOM 342 CG TYR A 22 1.046 16.283 -24.242 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.137 17.687 -24.164 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.237 15.530 -24.205 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.398 18.328 -24.036 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.499 16.166 -24.071 1.00 25.00 C ATOM 347 CZ TYR A 22 3.564 17.558 -23.985 1.00 25.00 C ATOM 348 OH TYR A 22 4.782 18.172 -23.849 1.00 25.00 O ATOM 0 H TYR A 22 -2.254 14.264 -24.989 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.006 16.508 -26.198 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.029 16.139 -23.777 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.223 14.593 -23.957 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.237 18.283 -24.202 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.189 14.454 -24.280 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.456 19.405 -23.978 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.403 15.577 -24.036 1.00 25.00 H new ATOM 0 HH TYR A 22 5.456 17.509 -23.591 1.00 25.00 H new ATOM 358 N ALA A 23 0.424 13.575 -26.649 1.00 25.00 N ATOM 359 CA ALA A 23 1.445 12.889 -27.420 1.00 25.00 C ATOM 360 C ALA A 23 1.222 13.099 -28.913 1.00 25.00 C ATOM 361 O ALA A 23 2.171 13.285 -29.664 1.00 25.00 O ATOM 362 CB ALA A 23 1.449 11.416 -27.085 1.00 25.00 C ATOM 0 H ALA A 23 -0.177 12.962 -26.099 1.00 25.00 H new ATOM 0 HA ALA A 23 2.417 13.308 -27.160 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.219 10.912 -27.669 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.656 11.285 -26.023 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.475 10.987 -27.321 1.00 25.00 H new ATOM 368 N ALA A 24 -0.033 13.093 -29.334 1.00 25.00 N ATOM 369 CA ALA A 24 -0.371 13.311 -30.735 1.00 25.00 C ATOM 370 C ALA A 24 -0.086 14.761 -31.140 1.00 25.00 C ATOM 371 O ALA A 24 0.167 15.041 -32.300 1.00 25.00 O ATOM 372 CB ALA A 24 -1.843 12.968 -30.972 1.00 25.00 C ATOM 0 H ALA A 24 -0.837 12.939 -28.726 1.00 25.00 H new ATOM 0 HA ALA A 24 0.248 12.660 -31.352 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.091 13.133 -32.021 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.019 11.923 -30.717 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.470 13.604 -30.347 1.00 25.00 H new ATOM 378 N GLN A 25 -0.117 15.669 -30.176 1.00 25.00 N ATOM 379 CA GLN A 25 0.157 17.081 -30.435 1.00 25.00 C ATOM 380 C GLN A 25 1.663 17.313 -30.634 1.00 25.00 C ATOM 381 O GLN A 25 2.074 18.278 -31.268 1.00 25.00 O ATOM 382 CB GLN A 25 -0.366 17.911 -29.253 1.00 25.00 C ATOM 383 CG GLN A 25 -0.455 19.404 -29.506 1.00 25.00 C ATOM 384 CD GLN A 25 -1.115 20.130 -28.351 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.670 20.056 -27.218 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.191 20.817 -28.634 1.00 25.00 N ATOM 0 H GLN A 25 -0.330 15.455 -29.202 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.349 17.389 -31.350 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.356 17.544 -28.981 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.284 17.742 -28.394 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.545 19.806 -29.665 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.020 19.585 -30.420 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.534 20.856 -29.594 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.688 21.314 -27.895 1.00 25.00 H new ATOM 395 N GLN A 26 2.470 16.407 -30.094 1.00 25.00 N ATOM 396 CA GLN A 26 3.933 16.505 -30.177 1.00 25.00 C ATOM 397 C GLN A 26 4.506 15.671 -31.320 1.00 25.00 C ATOM 398 O GLN A 26 5.346 16.140 -32.080 1.00 25.00 O ATOM 399 CB GLN A 26 4.551 16.017 -28.866 1.00 25.00 C ATOM 400 CG GLN A 26 4.484 17.031 -27.731 1.00 25.00 C ATOM 401 CD GLN A 26 5.730 17.895 -27.659 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.249 18.349 -28.661 1.00 25.00 O ATOM 403 NE2 GLN A 26 6.225 18.106 -26.468 1.00 25.00 N ATOM 0 H GLN A 26 2.137 15.586 -29.588 1.00 25.00 H new ATOM 0 HA GLN A 26 4.176 17.551 -30.362 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.042 15.105 -28.554 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.594 15.755 -29.044 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.610 17.668 -27.866 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.353 16.506 -26.785 1.00 25.00 H new ATOM 0 HE21 GLN A 26 5.766 17.711 -25.647 1.00 25.00 H new ATOM 0 HE22 GLN A 26 7.071 18.666 -26.359 1.00 25.00 H new ATOM 412 N TYR A 27 4.056 14.429 -31.428 1.00 25.00 N ATOM 413 CA TYR A 27 4.528 13.514 -32.470 1.00 25.00 C ATOM 414 C TYR A 27 3.343 13.038 -33.316 1.00 25.00 C ATOM 415 O TYR A 27 2.920 11.877 -33.218 1.00 25.00 O ATOM 416 CB TYR A 27 5.241 12.306 -31.836 1.00 25.00 C ATOM 417 CG TYR A 27 6.448 12.649 -30.974 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.330 13.697 -31.327 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.733 11.906 -29.807 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.458 14.001 -30.523 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.867 12.205 -29.012 1.00 25.00 C ATOM 422 CZ TYR A 27 8.712 13.251 -29.373 1.00 25.00 C ATOM 423 OH TYR A 27 9.803 13.539 -28.594 1.00 25.00 O ATOM 0 H TYR A 27 3.358 14.025 -30.803 1.00 25.00 H new ATOM 0 HA TYR A 27 5.236 14.041 -33.109 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.522 11.758 -31.226 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.562 11.634 -32.632 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.142 14.273 -32.221 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.077 11.099 -29.517 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.118 14.810 -30.799 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.076 11.622 -28.127 1.00 25.00 H new ATOM 0 HH TYR A 27 9.832 12.923 -27.832 1.00 25.00 H new ATOM 433 N PRO A 28 2.757 13.932 -34.131 1.00 25.00 N ATOM 434 CA PRO A 28 1.563 13.474 -34.849 1.00 25.00 C ATOM 435 C PRO A 28 1.862 12.391 -35.878 1.00 25.00 C ATOM 436 O PRO A 28 2.878 12.418 -36.555 1.00 25.00 O ATOM 437 CB PRO A 28 1.048 14.757 -35.504 1.00 25.00 C ATOM 438 CG PRO A 28 2.264 15.586 -35.693 1.00 25.00 C ATOM 439 CD PRO A 28 3.063 15.340 -34.445 1.00 25.00 C ATOM 0 HA PRO A 28 0.837 13.000 -34.188 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.557 14.549 -36.455 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.317 15.261 -34.871 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.815 15.290 -36.586 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.015 16.641 -35.807 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.129 15.495 -34.611 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.766 16.008 -33.637 1.00 25.00 H new ATOM 447 N GLY A 29 0.983 11.401 -35.952 1.00 25.00 N ATOM 448 CA GLY A 29 1.168 10.289 -36.875 1.00 25.00 C ATOM 449 C GLY A 29 2.132 9.212 -36.399 1.00 25.00 C ATOM 450 O GLY A 29 2.035 8.062 -36.822 1.00 25.00 O ATOM 0 H GLY A 29 0.137 11.345 -35.386 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.198 9.829 -37.065 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.527 10.682 -37.826 1.00 25.00 H new ATOM 454 N ASN A 30 3.060 9.553 -35.516 1.00 25.00 N ATOM 455 CA ASN A 30 4.062 8.595 -35.064 1.00 25.00 C ATOM 456 C ASN A 30 3.557 7.861 -33.842 1.00 25.00 C ATOM 457 O ASN A 30 3.869 8.240 -32.721 1.00 25.00 O ATOM 458 CB ASN A 30 5.368 9.306 -34.708 1.00 25.00 C ATOM 459 CG ASN A 30 6.144 9.739 -35.919 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.240 10.911 -36.211 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.720 8.794 -36.615 1.00 25.00 N ATOM 0 H ASN A 30 3.141 10.481 -35.100 1.00 25.00 H new ATOM 0 HA ASN A 30 4.247 7.889 -35.874 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.146 10.178 -34.094 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.986 8.641 -34.105 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.275 9.032 -37.437 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.615 7.819 -36.336 1.00 25.00 H new ATOM 468 N TYR A 31 2.788 6.806 -34.056 1.00 25.00 N ATOM 469 CA TYR A 31 2.231 6.035 -32.947 1.00 25.00 C ATOM 470 C TYR A 31 3.324 5.551 -31.999 1.00 25.00 C ATOM 471 O TYR A 31 3.201 5.687 -30.794 1.00 25.00 O ATOM 472 CB TYR A 31 1.449 4.831 -33.472 1.00 25.00 C ATOM 473 CG TYR A 31 1.013 3.898 -32.363 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.111 4.197 -31.565 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.739 2.720 -32.086 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.504 3.329 -30.507 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.348 1.854 -31.031 1.00 25.00 C ATOM 478 CZ TYR A 31 0.232 2.168 -30.254 1.00 25.00 C ATOM 479 OH TYR A 31 -0.132 1.333 -29.230 1.00 25.00 O ATOM 0 H TYR A 31 2.534 6.462 -34.982 1.00 25.00 H new ATOM 0 HA TYR A 31 1.561 6.695 -32.397 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.571 5.180 -34.015 1.00 25.00 H new ATOM 0 HB3 TYR A 31 2.066 4.282 -34.183 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.680 5.094 -31.759 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.604 2.474 -32.685 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.367 3.567 -29.903 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.912 0.955 -30.830 1.00 25.00 H new ATOM 0 HH TYR A 31 0.485 0.572 -29.193 1.00 25.00 H new ATOM 489 N GLU A 32 4.408 5.017 -32.537 1.00 25.00 N ATOM 490 CA GLU A 32 5.494 4.519 -31.694 1.00 25.00 C ATOM 491 C GLU A 32 6.064 5.619 -30.787 1.00 25.00 C ATOM 492 O GLU A 32 6.245 5.408 -29.598 1.00 25.00 O ATOM 493 CB GLU A 32 6.606 3.910 -32.563 1.00 25.00 C ATOM 494 CG GLU A 32 7.093 4.825 -33.685 1.00 25.00 C ATOM 495 CD GLU A 32 8.270 4.260 -34.433 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.160 3.161 -35.004 1.00 25.00 O ATOM 497 OE2 GLU A 32 9.310 4.953 -34.469 1.00 25.00 O ATOM 0 H GLU A 32 4.563 4.916 -33.540 1.00 25.00 H new ATOM 0 HA GLU A 32 5.081 3.744 -31.048 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.452 3.654 -31.925 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.243 2.980 -32.999 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.275 5.001 -34.384 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.367 5.793 -33.265 1.00 25.00 H new ATOM 504 N GLN A 33 6.315 6.800 -31.333 1.00 25.00 N ATOM 505 CA GLN A 33 6.919 7.878 -30.561 1.00 25.00 C ATOM 506 C GLN A 33 5.940 8.455 -29.576 1.00 25.00 C ATOM 507 O GLN A 33 6.306 8.824 -28.463 1.00 25.00 O ATOM 508 CB GLN A 33 7.411 8.987 -31.470 1.00 25.00 C ATOM 509 CG GLN A 33 8.442 8.550 -32.493 1.00 25.00 C ATOM 510 CD GLN A 33 9.710 7.995 -31.866 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.221 8.539 -30.901 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.209 6.910 -32.401 1.00 25.00 N ATOM 0 H GLN A 33 6.111 7.036 -32.304 1.00 25.00 H new ATOM 0 HA GLN A 33 7.763 7.450 -30.020 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.557 9.416 -31.994 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.840 9.779 -30.856 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.003 7.791 -33.141 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.699 9.399 -33.126 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.754 6.483 -33.208 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.053 6.491 -32.011 1.00 25.00 H new ATOM 521 N GLN A 34 4.678 8.482 -29.967 1.00 25.00 N ATOM 522 CA GLN A 34 3.621 8.920 -29.074 1.00 25.00 C ATOM 523 C GLN A 34 3.647 8.050 -27.822 1.00 25.00 C ATOM 524 O GLN A 34 3.454 8.538 -26.719 1.00 25.00 O ATOM 525 CB GLN A 34 2.259 8.792 -29.765 1.00 25.00 C ATOM 526 CG GLN A 34 1.918 9.929 -30.686 1.00 25.00 C ATOM 527 CD GLN A 34 0.691 9.636 -31.518 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.190 8.890 -31.114 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.633 10.203 -32.689 1.00 25.00 N ATOM 0 H GLN A 34 4.361 8.206 -30.896 1.00 25.00 H new ATOM 0 HA GLN A 34 3.778 9.965 -28.806 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.240 7.862 -30.334 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.485 8.714 -29.002 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.751 10.833 -30.100 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.763 10.128 -31.345 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.386 10.820 -32.995 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.165 10.030 -33.300 1.00 25.00 H new ATOM 538 N GLN A 35 3.928 6.767 -27.987 1.00 25.00 N ATOM 539 CA GLN A 35 3.925 5.847 -26.845 1.00 25.00 C ATOM 540 C GLN A 35 5.168 6.028 -25.983 1.00 25.00 C ATOM 541 O GLN A 35 5.090 5.989 -24.756 1.00 25.00 O ATOM 542 CB GLN A 35 3.828 4.397 -27.317 1.00 25.00 C ATOM 543 CG GLN A 35 2.504 4.068 -27.992 1.00 25.00 C ATOM 544 CD GLN A 35 1.317 4.224 -27.068 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.305 3.713 -25.962 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.323 4.948 -27.513 1.00 25.00 N ATOM 0 H GLN A 35 4.158 6.338 -28.883 1.00 25.00 H new ATOM 0 HA GLN A 35 3.050 6.082 -26.240 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.642 4.194 -28.013 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.966 3.735 -26.462 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.372 4.717 -28.857 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.536 3.044 -28.364 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.369 5.360 -28.445 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.499 5.101 -26.928 1.00 25.00 H new ATOM 555 N ILE A 36 6.304 6.272 -26.616 1.00 25.00 N ATOM 556 CA ILE A 36 7.552 6.533 -25.900 1.00 25.00 C ATOM 557 C ILE A 36 7.386 7.796 -25.056 1.00 25.00 C ATOM 558 O ILE A 36 7.826 7.852 -23.907 1.00 25.00 O ATOM 559 CB ILE A 36 8.725 6.714 -26.909 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.920 5.420 -27.723 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.047 7.076 -26.182 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.717 5.615 -29.016 1.00 25.00 C ATOM 0 H ILE A 36 6.392 6.296 -27.632 1.00 25.00 H new ATOM 0 HA ILE A 36 7.783 5.687 -25.253 1.00 25.00 H new ATOM 0 HB ILE A 36 8.468 7.536 -27.578 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.430 4.684 -27.101 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.942 5.006 -27.969 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.845 7.195 -26.915 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.917 8.009 -25.633 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.310 6.279 -25.486 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.812 4.660 -29.533 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.198 6.326 -29.659 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.709 5.999 -28.778 1.00 25.00 H new ATOM 574 N LEU A 37 6.716 8.799 -25.605 1.00 25.00 N ATOM 575 CA LEU A 37 6.476 10.037 -24.875 1.00 25.00 C ATOM 576 C LEU A 37 5.565 9.793 -23.671 1.00 25.00 C ATOM 577 O LEU A 37 5.924 10.136 -22.558 1.00 25.00 O ATOM 578 CB LEU A 37 5.867 11.083 -25.811 1.00 25.00 C ATOM 579 CG LEU A 37 5.592 12.479 -25.228 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.811 13.086 -24.524 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.164 13.388 -26.367 1.00 25.00 C ATOM 0 H LEU A 37 6.330 8.781 -26.549 1.00 25.00 H new ATOM 0 HA LEU A 37 7.429 10.411 -24.501 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.534 11.200 -26.665 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.926 10.686 -26.193 1.00 25.00 H new ATOM 0 HG LEU A 37 4.812 12.381 -24.473 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.553 14.071 -24.134 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.116 12.439 -23.702 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.632 13.181 -25.235 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.962 14.387 -25.979 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.960 13.441 -27.109 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.262 12.990 -26.831 1.00 25.00 H new ATOM 593 N ILE A 38 4.427 9.146 -23.884 1.00 25.00 N ATOM 594 CA ILE A 38 3.483 8.836 -22.794 1.00 25.00 C ATOM 595 C ILE A 38 4.174 8.027 -21.698 1.00 25.00 C ATOM 596 O ILE A 38 3.978 8.286 -20.511 1.00 25.00 O ATOM 597 CB ILE A 38 2.243 8.047 -23.336 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.439 8.942 -24.291 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.317 7.576 -22.184 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.523 8.184 -25.244 1.00 25.00 C ATOM 0 H ILE A 38 4.125 8.820 -24.802 1.00 25.00 H new ATOM 0 HA ILE A 38 3.138 9.780 -22.372 1.00 25.00 H new ATOM 0 HB ILE A 38 2.613 7.166 -23.861 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.837 9.633 -23.701 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.134 9.544 -24.876 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.468 7.033 -22.599 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.874 6.922 -21.514 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.957 8.442 -21.629 1.00 25.00 H new ATOM 0 HD11 ILE A 38 -0.006 8.893 -25.881 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.118 7.513 -25.864 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.199 7.603 -24.670 1.00 25.00 H new ATOM 612 N ARG A 39 5.031 7.094 -22.080 1.00 25.00 N ATOM 613 CA ARG A 39 5.786 6.297 -21.110 1.00 25.00 C ATOM 614 C ARG A 39 6.606 7.191 -20.176 1.00 25.00 C ATOM 615 O ARG A 39 6.649 6.958 -18.970 1.00 25.00 O ATOM 616 CB ARG A 39 6.696 5.321 -21.860 1.00 25.00 C ATOM 617 CG ARG A 39 7.426 4.334 -20.977 1.00 25.00 C ATOM 618 CD ARG A 39 8.222 3.362 -21.832 1.00 25.00 C ATOM 619 NE ARG A 39 8.938 2.373 -21.010 1.00 25.00 N ATOM 620 CZ ARG A 39 9.682 1.380 -21.484 1.00 25.00 C ATOM 621 NH1 ARG A 39 9.841 1.177 -22.770 1.00 25.00 N ATOM 622 NH2 ARG A 39 10.277 0.574 -20.649 1.00 25.00 N ATOM 0 H ARG A 39 5.226 6.865 -23.055 1.00 25.00 H new ATOM 0 HA ARG A 39 5.084 5.737 -20.491 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.096 4.767 -22.582 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.430 5.893 -22.427 1.00 25.00 H new ATOM 0 HG2 ARG A 39 8.093 4.865 -20.298 1.00 25.00 H new ATOM 0 HG3 ARG A 39 6.712 3.788 -20.360 1.00 25.00 H new ATOM 0 HD2 ARG A 39 7.550 2.847 -22.518 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.937 3.915 -22.441 1.00 25.00 H new ATOM 0 HE ARG A 39 8.856 2.457 -19.997 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.385 1.793 -23.444 1.00 25.00 H new ATOM 0 HH12 ARG A 39 10.420 0.404 -23.096 1.00 25.00 H new ATOM 0 HH21 ARG A 39 10.168 0.710 -19.644 1.00 25.00 H new ATOM 0 HH22 ARG A 39 10.851 -0.192 -21.001 1.00 25.00 H new ATOM 636 N GLN A 40 7.217 8.230 -20.724 1.00 25.00 N ATOM 637 CA GLN A 40 8.002 9.170 -19.922 1.00 25.00 C ATOM 638 C GLN A 40 7.099 10.064 -19.075 1.00 25.00 C ATOM 639 O GLN A 40 7.399 10.321 -17.912 1.00 25.00 O ATOM 640 CB GLN A 40 8.863 10.052 -20.830 1.00 25.00 C ATOM 641 CG GLN A 40 9.919 9.289 -21.609 1.00 25.00 C ATOM 642 CD GLN A 40 10.610 10.164 -22.625 1.00 25.00 C ATOM 643 OE1 GLN A 40 11.506 10.919 -22.299 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.187 10.073 -23.855 1.00 25.00 N ATOM 0 H GLN A 40 7.188 8.448 -21.720 1.00 25.00 H new ATOM 0 HA GLN A 40 8.640 8.584 -19.260 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.214 10.575 -21.533 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.353 10.813 -20.222 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.657 8.883 -20.918 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.456 8.442 -22.115 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.433 9.427 -24.088 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.610 10.648 -24.584 1.00 25.00 H new ATOM 653 N LEU A 41 5.987 10.519 -19.642 1.00 25.00 N ATOM 654 CA LEU A 41 5.061 11.403 -18.920 1.00 25.00 C ATOM 655 C LEU A 41 4.517 10.701 -17.684 1.00 25.00 C ATOM 656 O LEU A 41 4.397 11.295 -16.622 1.00 25.00 O ATOM 657 CB LEU A 41 3.871 11.806 -19.807 1.00 25.00 C ATOM 658 CG LEU A 41 4.135 12.556 -21.122 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.822 12.747 -21.861 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.810 13.893 -20.923 1.00 25.00 C ATOM 0 H LEU A 41 5.700 10.295 -20.595 1.00 25.00 H new ATOM 0 HA LEU A 41 5.619 12.295 -18.635 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.322 10.897 -20.053 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.207 12.426 -19.204 1.00 25.00 H new ATOM 0 HG LEU A 41 4.823 11.946 -21.707 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.004 13.279 -22.795 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.381 11.774 -22.078 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.137 13.326 -21.242 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.967 14.369 -21.891 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.179 14.530 -20.303 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.771 13.746 -20.431 1.00 25.00 H new ATOM 672 N GLN A 42 4.196 9.425 -17.823 1.00 25.00 N ATOM 673 CA GLN A 42 3.644 8.651 -16.715 1.00 25.00 C ATOM 674 C GLN A 42 4.677 8.416 -15.612 1.00 25.00 C ATOM 675 O GLN A 42 4.329 8.415 -14.435 1.00 25.00 O ATOM 676 CB GLN A 42 3.106 7.321 -17.239 1.00 25.00 C ATOM 677 CG GLN A 42 1.866 7.497 -18.134 1.00 25.00 C ATOM 678 CD GLN A 42 1.377 6.201 -18.744 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.193 5.929 -18.762 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.282 5.402 -19.242 1.00 25.00 N ATOM 0 H GLN A 42 4.307 8.900 -18.691 1.00 25.00 H new ATOM 0 HA GLN A 42 2.830 9.225 -16.273 1.00 25.00 H new ATOM 0 HB2 GLN A 42 3.888 6.814 -17.804 1.00 25.00 H new ATOM 0 HB3 GLN A 42 2.853 6.678 -16.396 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.062 7.939 -17.546 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.100 8.200 -18.933 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.267 5.664 -19.209 1.00 25.00 H new ATOM 0 HE22 GLN A 42 2.004 4.516 -19.664 1.00 25.00 H new ATOM 689 N GLU A 43 5.943 8.253 -15.969 1.00 25.00 N ATOM 690 CA GLU A 43 6.988 8.109 -14.950 1.00 25.00 C ATOM 691 C GLU A 43 7.207 9.449 -14.250 1.00 25.00 C ATOM 692 O GLU A 43 7.309 9.502 -13.035 1.00 25.00 O ATOM 693 CB GLU A 43 8.304 7.625 -15.567 1.00 25.00 C ATOM 694 CG GLU A 43 8.803 6.283 -14.998 1.00 25.00 C ATOM 695 CD GLU A 43 9.123 6.335 -13.495 1.00 25.00 C ATOM 696 OE1 GLU A 43 9.723 7.323 -13.038 1.00 25.00 O ATOM 697 OE2 GLU A 43 8.803 5.355 -12.776 1.00 25.00 O ATOM 0 H GLU A 43 6.273 8.217 -16.933 1.00 25.00 H new ATOM 0 HA GLU A 43 6.660 7.363 -14.226 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.174 7.526 -16.645 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.070 8.384 -15.407 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.046 5.519 -15.174 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.697 5.977 -15.541 1.00 25.00 H new ATOM 704 N GLN A 44 7.223 10.538 -15.007 1.00 25.00 N ATOM 705 CA GLN A 44 7.386 11.871 -14.421 1.00 25.00 C ATOM 706 C GLN A 44 6.235 12.155 -13.452 1.00 25.00 C ATOM 707 O GLN A 44 6.450 12.645 -12.340 1.00 25.00 O ATOM 708 CB GLN A 44 7.433 12.930 -15.532 1.00 25.00 C ATOM 709 CG GLN A 44 7.890 14.320 -15.066 1.00 25.00 C ATOM 710 CD GLN A 44 6.819 15.079 -14.300 1.00 25.00 C ATOM 711 OE1 GLN A 44 5.662 15.094 -14.677 1.00 25.00 O ATOM 712 NE2 GLN A 44 7.209 15.716 -13.227 1.00 25.00 N ATOM 0 H GLN A 44 7.126 10.530 -16.022 1.00 25.00 H new ATOM 0 HA GLN A 44 8.324 11.910 -13.868 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.105 12.585 -16.318 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.441 13.017 -15.976 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.771 14.212 -14.434 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.190 14.906 -15.934 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.187 15.681 -12.941 1.00 25.00 H new ATOM 0 HE22 GLN A 44 6.535 16.248 -12.676 1.00 25.00 H new ATOM 721 N HIS A 45 5.028 11.792 -13.856 1.00 25.00 N ATOM 722 CA HIS A 45 3.846 11.950 -13.017 1.00 25.00 C ATOM 723 C HIS A 45 4.004 11.119 -11.744 1.00 25.00 C ATOM 724 O HIS A 45 3.687 11.578 -10.654 1.00 25.00 O ATOM 725 CB HIS A 45 2.602 11.516 -13.804 1.00 25.00 C ATOM 726 CG HIS A 45 1.305 11.803 -13.109 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.092 11.307 -13.516 1.00 25.00 N ATOM 728 CD2 HIS A 45 1.025 12.570 -12.016 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.843 11.770 -12.693 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.330 12.539 -11.756 1.00 25.00 N ATOM 0 H HIS A 45 4.838 11.381 -14.770 1.00 25.00 H new ATOM 0 HA HIS A 45 3.730 12.996 -12.731 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.603 12.020 -14.770 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.666 10.446 -14.002 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.755 13.120 -11.440 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.895 11.543 -12.782 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -0.827 13.011 -11.000 1.00 25.00 H new ATOM 738 N TYR A 46 4.550 9.917 -11.867 1.00 25.00 N ATOM 739 CA TYR A 46 4.795 9.079 -10.698 1.00 25.00 C ATOM 740 C TYR A 46 5.819 9.700 -9.747 1.00 25.00 C ATOM 741 O TYR A 46 5.645 9.651 -8.533 1.00 25.00 O ATOM 742 CB TYR A 46 5.276 7.687 -11.105 1.00 25.00 C ATOM 743 CG TYR A 46 5.395 6.783 -9.907 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.254 6.173 -9.359 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.640 6.563 -9.282 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.347 5.364 -8.216 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.730 5.754 -8.120 1.00 25.00 C ATOM 748 CZ TYR A 46 5.575 5.164 -7.601 1.00 25.00 C ATOM 749 OH TYR A 46 5.629 4.378 -6.478 1.00 25.00 O ATOM 0 H TYR A 46 4.830 9.502 -12.755 1.00 25.00 H new ATOM 0 HA TYR A 46 3.841 8.998 -10.177 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.580 7.254 -11.823 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.242 7.764 -11.604 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.292 6.329 -9.824 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.532 7.014 -9.691 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.461 4.896 -7.814 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.684 5.595 -7.640 1.00 25.00 H new ATOM 0 HH TYR A 46 6.112 4.852 -5.770 1.00 25.00 H new ATOM 759 N GLN A 47 6.875 10.297 -10.280 1.00 25.00 N ATOM 760 CA GLN A 47 7.876 10.939 -9.428 1.00 25.00 C ATOM 761 C GLN A 47 7.233 12.095 -8.666 1.00 25.00 C ATOM 762 O GLN A 47 7.465 12.264 -7.470 1.00 25.00 O ATOM 763 CB GLN A 47 9.064 11.461 -10.250 1.00 25.00 C ATOM 764 CG GLN A 47 9.890 10.372 -10.943 1.00 25.00 C ATOM 765 CD GLN A 47 10.466 9.356 -9.976 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.864 9.685 -8.868 1.00 25.00 O ATOM 767 NE2 GLN A 47 10.516 8.121 -10.391 1.00 25.00 N ATOM 0 H GLN A 47 7.063 10.353 -11.281 1.00 25.00 H new ATOM 0 HA GLN A 47 8.252 10.193 -8.728 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.690 12.151 -11.006 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.720 12.033 -9.593 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.263 9.857 -11.671 1.00 25.00 H new ATOM 0 HG3 GLN A 47 10.704 10.839 -11.497 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.175 7.882 -11.322 1.00 25.00 H new ATOM 0 HE22 GLN A 47 10.896 7.394 -9.785 1.00 25.00 H new ATOM 776 N GLN A 48 6.387 12.860 -9.342 1.00 25.00 N ATOM 777 CA GLN A 48 5.681 13.967 -8.701 1.00 25.00 C ATOM 778 C GLN A 48 4.755 13.425 -7.608 1.00 25.00 C ATOM 779 O GLN A 48 4.709 13.963 -6.505 1.00 25.00 O ATOM 780 CB GLN A 48 4.889 14.759 -9.751 1.00 25.00 C ATOM 781 CG GLN A 48 4.345 16.105 -9.256 1.00 25.00 C ATOM 782 CD GLN A 48 3.122 15.965 -8.364 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.237 15.173 -8.624 1.00 25.00 O ATOM 784 NE2 GLN A 48 3.068 16.748 -7.319 1.00 25.00 N ATOM 0 H GLN A 48 6.171 12.737 -10.331 1.00 25.00 H new ATOM 0 HA GLN A 48 6.402 14.641 -8.238 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.531 14.936 -10.614 1.00 25.00 H new ATOM 0 HB3 GLN A 48 4.054 14.148 -10.095 1.00 25.00 H new ATOM 0 HG2 GLN A 48 5.129 16.627 -8.707 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.091 16.725 -10.116 1.00 25.00 H new ATOM 0 HE21 GLN A 48 3.829 17.401 -7.131 1.00 25.00 H new ATOM 0 HE22 GLN A 48 2.265 16.706 -6.691 1.00 25.00 H new ATOM 793 N TYR A 49 4.066 12.331 -7.900 1.00 25.00 N ATOM 794 CA TYR A 49 3.178 11.683 -6.935 1.00 25.00 C ATOM 795 C TYR A 49 3.942 11.229 -5.698 1.00 25.00 C ATOM 796 O TYR A 49 3.476 11.386 -4.573 1.00 25.00 O ATOM 797 CB TYR A 49 2.482 10.487 -7.595 1.00 25.00 C ATOM 798 CG TYR A 49 1.359 9.909 -6.768 1.00 25.00 C ATOM 799 CD1 TYR A 49 0.214 10.680 -6.476 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.421 8.585 -6.275 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.846 10.145 -5.700 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.353 8.048 -5.509 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.765 8.834 -5.227 1.00 25.00 C ATOM 804 OH TYR A 49 -1.785 8.313 -4.477 1.00 25.00 O ATOM 0 H TYR A 49 4.104 11.866 -8.807 1.00 25.00 H new ATOM 0 HA TYR A 49 2.430 12.409 -6.617 1.00 25.00 H new ATOM 0 HB2 TYR A 49 2.087 10.796 -8.563 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.220 9.708 -7.786 1.00 25.00 H new ATOM 0 HD1 TYR A 49 0.144 11.691 -6.848 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.289 7.977 -6.483 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.712 10.750 -5.476 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.406 7.033 -5.145 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.570 7.389 -4.229 1.00 25.00 H new ATOM 814 N MET A 50 5.138 10.699 -5.892 1.00 25.00 N ATOM 815 CA MET A 50 5.947 10.248 -4.770 1.00 25.00 C ATOM 816 C MET A 50 6.405 11.414 -3.904 1.00 25.00 C ATOM 817 O MET A 50 6.377 11.335 -2.673 1.00 25.00 O ATOM 818 CB MET A 50 7.155 9.455 -5.274 1.00 25.00 C ATOM 819 CG MET A 50 7.652 8.425 -4.272 1.00 25.00 C ATOM 820 SD MET A 50 7.016 6.758 -4.620 1.00 25.00 S ATOM 821 CE MET A 50 5.203 6.944 -4.383 1.00 25.00 C ATOM 0 H MET A 50 5.568 10.571 -6.808 1.00 25.00 H new ATOM 0 HA MET A 50 5.326 9.600 -4.152 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.889 8.951 -6.203 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.965 10.147 -5.507 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.742 8.405 -4.285 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.351 8.724 -3.268 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.732 5.961 -4.393 1.00 25.00 H new ATOM 0 HE2 MET A 50 5.009 7.429 -3.427 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.791 7.552 -5.189 1.00 25.00 H new