USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=9 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 -85:sc= 0.465 USER MOD Set 1.2: A 50 MET CE :methyl -133:sc= -0.138 (180deg=-1.4) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 15 THR OG1 : rot 134:sc= 1.06 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 21 GLN : amide:sc= -0.047 X(o=-0.047,f=-0.047) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 26 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.34) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.17) USER MOD Single : A 34 GLN : amide:sc= 0.38 K(o=0.38,f=-0.99) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0396 K(o=-0.04,f=-1.5!) USER MOD Single : A 44 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.23) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 4.405 -1.682 -6.372 1.00 25.00 N ATOM 54 CA LYS A 4 4.481 -0.370 -7.018 1.00 25.00 C ATOM 55 C LYS A 4 3.769 -0.187 -8.339 1.00 25.00 C ATOM 56 O LYS A 4 3.263 0.904 -8.625 1.00 25.00 O ATOM 57 CB LYS A 4 5.994 -0.009 -7.208 1.00 25.00 C ATOM 58 CG LYS A 4 6.821 -1.095 -7.898 1.00 25.00 C ATOM 59 CD LYS A 4 8.303 -0.813 -7.899 1.00 25.00 C ATOM 60 CE LYS A 4 8.707 0.159 -9.041 1.00 25.00 C ATOM 61 NZ LYS A 4 10.235 0.311 -9.070 1.00 25.00 N ATOM 0 HA LYS A 4 3.941 0.294 -6.343 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.065 0.910 -7.790 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.431 0.198 -6.231 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.641 -2.048 -7.401 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.479 -1.202 -8.927 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.592 -0.385 -6.939 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.851 -1.749 -8.008 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.351 -0.221 -9.999 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.237 1.131 -8.889 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.505 0.962 -9.835 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.563 0.692 -8.160 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.673 -0.618 -9.235 1.00 25.00 H new ATOM 75 N GLN A 5 3.722 -1.206 -9.175 1.00 25.00 N ATOM 76 CA GLN A 5 3.037 -1.069 -10.470 1.00 25.00 C ATOM 77 C GLN A 5 1.558 -0.769 -10.356 1.00 25.00 C ATOM 78 O GLN A 5 0.991 -0.090 -11.208 1.00 25.00 O ATOM 79 CB GLN A 5 3.247 -2.344 -11.345 1.00 25.00 C ATOM 80 CG GLN A 5 4.762 -2.585 -11.613 1.00 25.00 C ATOM 81 CD GLN A 5 5.028 -3.713 -12.631 1.00 25.00 C ATOM 82 OE1 GLN A 5 4.554 -4.819 -12.474 1.00 25.00 O ATOM 83 NE2 GLN A 5 5.765 -3.441 -13.656 1.00 25.00 N ATOM 0 H GLN A 5 4.135 -2.122 -8.999 1.00 25.00 H new ATOM 0 HA GLN A 5 3.495 -0.204 -10.950 1.00 25.00 H new ATOM 0 HB2 GLN A 5 2.819 -3.211 -10.841 1.00 25.00 H new ATOM 0 HB3 GLN A 5 2.718 -2.232 -12.292 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.211 -1.661 -11.979 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.256 -2.829 -10.673 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.154 -2.505 -13.770 1.00 25.00 H new ATOM 0 HE22 GLN A 5 5.958 -4.162 -14.351 1.00 25.00 H new ATOM 92 N GLN A 6 0.914 -1.165 -9.242 1.00 25.00 N ATOM 93 CA GLN A 6 -0.507 -0.880 -9.041 1.00 25.00 C ATOM 94 C GLN A 6 -0.696 0.608 -8.900 1.00 25.00 C ATOM 95 O GLN A 6 -1.684 1.132 -9.350 1.00 25.00 O ATOM 96 CB GLN A 6 -0.956 -1.571 -7.716 1.00 25.00 C ATOM 97 CG GLN A 6 -1.142 -3.117 -7.791 1.00 25.00 C ATOM 98 CD GLN A 6 -1.442 -3.695 -6.454 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.832 -3.311 -5.471 1.00 25.00 O ATOM 100 NE2 GLN A 6 -2.269 -4.697 -6.393 1.00 25.00 N ATOM 0 H GLN A 6 1.355 -1.678 -8.478 1.00 25.00 H new ATOM 0 HA GLN A 6 -1.092 -1.247 -9.885 1.00 25.00 H new ATOM 0 HB2 GLN A 6 -0.219 -1.349 -6.944 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.898 -1.125 -7.396 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -1.952 -3.354 -8.481 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.237 -3.574 -8.192 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -2.767 -4.999 -7.230 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -2.419 -5.181 -5.508 1.00 25.00 H new ATOM 109 N ILE A 7 0.207 1.257 -8.194 1.00 25.00 N ATOM 110 CA ILE A 7 0.127 2.696 -7.949 1.00 25.00 C ATOM 111 C ILE A 7 0.274 3.392 -9.309 1.00 25.00 C ATOM 112 O ILE A 7 -0.556 4.224 -9.617 1.00 25.00 O ATOM 113 CB ILE A 7 1.222 3.151 -6.890 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.032 2.406 -5.537 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.094 4.672 -6.624 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.214 2.533 -4.546 1.00 25.00 C ATOM 0 H ILE A 7 1.020 0.809 -7.771 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.830 2.975 -7.507 1.00 25.00 H new ATOM 0 HB ILE A 7 2.203 2.913 -7.302 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.131 2.785 -5.055 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.862 1.349 -5.743 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.847 4.979 -5.898 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.244 5.218 -7.555 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.101 4.890 -6.232 1.00 25.00 H new ATOM 0 HD11 ILE A 7 1.986 1.980 -3.635 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.116 2.125 -5.002 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.374 3.583 -4.303 1.00 25.00 H new ATOM 128 N MET A 8 1.262 3.004 -10.115 1.00 25.00 N ATOM 129 CA MET A 8 1.436 3.626 -11.388 1.00 25.00 C ATOM 130 C MET A 8 0.184 3.465 -12.256 1.00 25.00 C ATOM 131 O MET A 8 -0.316 4.425 -12.828 1.00 25.00 O ATOM 132 CB MET A 8 2.625 2.994 -12.106 1.00 25.00 C ATOM 133 CG MET A 8 3.934 3.150 -11.358 1.00 25.00 C ATOM 134 SD MET A 8 5.365 2.664 -12.353 1.00 25.00 S ATOM 135 CE MET A 8 5.557 4.133 -13.584 1.00 25.00 C ATOM 0 H MET A 8 1.936 2.270 -9.896 1.00 25.00 H new ATOM 0 HA MET A 8 1.614 4.689 -11.226 1.00 25.00 H new ATOM 0 HB2 MET A 8 2.426 1.933 -12.257 1.00 25.00 H new ATOM 0 HB3 MET A 8 2.724 3.444 -13.094 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.049 4.188 -11.046 1.00 25.00 H new ATOM 0 HG3 MET A 8 3.904 2.546 -10.451 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.404 3.946 -14.245 1.00 25.00 H new ATOM 0 HE2 MET A 8 4.648 4.231 -14.178 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.728 5.054 -13.027 1.00 25.00 H new ATOM 145 N ALA A 9 -0.345 2.257 -12.311 1.00 25.00 N ATOM 146 CA ALA A 9 -1.511 1.991 -13.132 1.00 25.00 C ATOM 147 C ALA A 9 -2.764 2.822 -12.736 1.00 25.00 C ATOM 148 O ALA A 9 -3.483 3.337 -13.587 1.00 25.00 O ATOM 149 CB ALA A 9 -1.815 0.509 -13.123 1.00 25.00 C ATOM 0 H ALA A 9 0.011 1.449 -11.800 1.00 25.00 H new ATOM 0 HA ALA A 9 -1.262 2.311 -14.144 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.691 0.314 -13.741 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.961 -0.040 -13.520 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -2.012 0.184 -12.101 1.00 25.00 H new ATOM 155 N ALA A 10 -2.952 3.022 -11.442 1.00 25.00 N ATOM 156 CA ALA A 10 -4.059 3.847 -10.919 1.00 25.00 C ATOM 157 C ALA A 10 -3.872 5.278 -11.315 1.00 25.00 C ATOM 158 O ALA A 10 -4.835 5.921 -11.724 1.00 25.00 O ATOM 159 CB ALA A 10 -4.116 3.771 -9.353 1.00 25.00 C ATOM 0 H ALA A 10 -2.353 2.625 -10.718 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.988 3.461 -11.339 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.939 4.386 -8.989 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.271 2.737 -9.044 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.177 4.137 -8.937 1.00 25.00 H new ATOM 165 N LEU A 11 -2.667 5.766 -11.169 1.00 25.00 N ATOM 166 CA LEU A 11 -2.365 7.144 -11.473 1.00 25.00 C ATOM 167 C LEU A 11 -2.481 7.393 -12.966 1.00 25.00 C ATOM 168 O LEU A 11 -2.974 8.434 -13.402 1.00 25.00 O ATOM 169 CB LEU A 11 -0.916 7.472 -11.063 1.00 25.00 C ATOM 170 CG LEU A 11 -0.510 7.481 -9.580 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.973 7.666 -9.473 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.220 8.615 -8.825 1.00 25.00 C ATOM 0 H LEU A 11 -1.869 5.223 -10.838 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.072 7.768 -10.926 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.268 6.757 -11.570 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.682 8.457 -11.467 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.803 6.531 -9.134 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.264 7.673 -8.423 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.480 6.848 -9.985 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.256 8.612 -9.934 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.917 8.601 -7.778 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.949 9.573 -9.268 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.299 8.477 -8.892 1.00 25.00 H new ATOM 184 N ASN A 12 -1.984 6.432 -13.760 1.00 25.00 N ATOM 185 CA ASN A 12 -1.953 6.575 -15.196 1.00 25.00 C ATOM 186 C ASN A 12 -3.341 6.530 -15.772 1.00 25.00 C ATOM 187 O ASN A 12 -3.612 7.147 -16.822 1.00 25.00 O ATOM 188 CB ASN A 12 -1.155 5.401 -15.817 1.00 25.00 C ATOM 189 CG ASN A 12 0.338 5.443 -15.510 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.872 6.450 -15.092 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.028 4.383 -15.821 1.00 25.00 N ATOM 0 H ASN A 12 -1.601 5.551 -13.416 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.488 7.534 -15.424 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.566 4.460 -15.450 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.295 5.410 -16.898 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.043 4.386 -15.715 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.554 3.550 -16.170 1.00 25.00 H new ATOM 198 N SER A 13 -4.245 5.848 -15.101 1.00 25.00 N ATOM 199 CA SER A 13 -5.633 5.712 -15.606 1.00 25.00 C ATOM 200 C SER A 13 -6.380 7.056 -15.589 1.00 25.00 C ATOM 201 O SER A 13 -7.297 7.250 -16.383 1.00 25.00 O ATOM 202 CB SER A 13 -6.384 4.685 -14.765 1.00 25.00 C ATOM 203 OG SER A 13 -7.200 3.884 -15.599 1.00 25.00 O ATOM 0 H SER A 13 -4.067 5.377 -14.214 1.00 25.00 H new ATOM 0 HA SER A 13 -5.584 5.377 -16.642 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.676 4.058 -14.223 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.997 5.191 -14.019 1.00 25.00 H new ATOM 0 HG SER A 13 -7.678 3.225 -15.053 1.00 25.00 H new ATOM 209 N GLN A 14 -5.940 7.991 -14.754 1.00 25.00 N ATOM 210 CA GLN A 14 -6.531 9.319 -14.750 1.00 25.00 C ATOM 211 C GLN A 14 -6.081 10.178 -15.945 1.00 25.00 C ATOM 212 O GLN A 14 -6.741 11.149 -16.279 1.00 25.00 O ATOM 213 CB GLN A 14 -6.140 10.071 -13.491 1.00 25.00 C ATOM 214 CG GLN A 14 -6.171 9.243 -12.184 1.00 25.00 C ATOM 215 CD GLN A 14 -7.532 8.597 -11.974 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.538 9.254 -11.920 1.00 25.00 O ATOM 217 NE2 GLN A 14 -7.535 7.295 -11.766 1.00 25.00 N ATOM 0 H GLN A 14 -5.186 7.855 -14.081 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.608 9.161 -14.807 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.134 10.470 -13.624 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.808 10.924 -13.376 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -5.401 8.472 -12.221 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.937 9.887 -11.337 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -6.663 6.768 -11.820 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -8.409 6.815 -11.552 1.00 25.00 H new ATOM 226 N THR A 15 -4.957 9.808 -16.571 1.00 25.00 N ATOM 227 CA THR A 15 -4.357 10.632 -17.577 1.00 25.00 C ATOM 228 C THR A 15 -4.125 9.873 -18.907 1.00 25.00 C ATOM 229 O THR A 15 -3.488 10.366 -19.821 1.00 25.00 O ATOM 230 CB THR A 15 -3.018 11.204 -17.062 1.00 25.00 C ATOM 231 OG1 THR A 15 -2.179 10.140 -16.588 1.00 25.00 O ATOM 232 CG2 THR A 15 -3.241 12.168 -15.904 1.00 25.00 C ATOM 0 H THR A 15 -4.459 8.938 -16.384 1.00 25.00 H new ATOM 0 HA THR A 15 -5.055 11.443 -17.784 1.00 25.00 H new ATOM 0 HB THR A 15 -2.547 11.729 -17.893 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.272 10.256 -16.942 1.00 25.00 H new ATOM 0 HG21 THR A 15 -2.281 12.555 -15.562 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.868 12.996 -16.235 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.734 11.645 -15.085 1.00 25.00 H new ATOM 240 N ALA A 16 -4.708 8.675 -19.021 1.00 25.00 N ATOM 241 CA ALA A 16 -4.527 7.790 -20.183 1.00 25.00 C ATOM 242 C ALA A 16 -4.809 8.509 -21.492 1.00 25.00 C ATOM 243 O ALA A 16 -3.887 8.771 -22.291 1.00 25.00 O ATOM 244 CB ALA A 16 -5.385 6.505 -20.058 1.00 25.00 C ATOM 0 H ALA A 16 -5.323 8.287 -18.306 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.479 7.492 -20.194 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.226 5.875 -20.933 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -5.094 5.959 -19.161 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.439 6.776 -19.992 1.00 25.00 H new ATOM 250 N VAL A 17 -6.058 8.914 -21.683 1.00 25.00 N ATOM 251 CA VAL A 17 -6.409 9.574 -22.916 1.00 25.00 C ATOM 252 C VAL A 17 -5.873 11.001 -22.967 1.00 25.00 C ATOM 253 O VAL A 17 -5.587 11.558 -24.035 1.00 25.00 O ATOM 254 CB VAL A 17 -7.970 9.470 -23.190 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.812 10.406 -22.278 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.285 9.755 -24.682 1.00 25.00 C ATOM 0 H VAL A 17 -6.820 8.798 -21.015 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.918 9.052 -23.737 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.256 8.447 -22.946 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.870 10.289 -22.514 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.642 10.145 -21.233 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.515 11.441 -22.447 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.360 9.679 -24.848 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.949 10.759 -24.939 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.768 9.028 -25.308 1.00 25.00 H new ATOM 266 N GLN A 18 -5.679 11.585 -21.781 1.00 25.00 N ATOM 267 CA GLN A 18 -5.173 12.946 -21.689 1.00 25.00 C ATOM 268 C GLN A 18 -3.770 13.062 -22.277 1.00 25.00 C ATOM 269 O GLN A 18 -3.468 13.949 -23.052 1.00 25.00 O ATOM 270 CB GLN A 18 -5.097 13.378 -20.265 1.00 25.00 C ATOM 271 CG GLN A 18 -4.790 14.860 -20.141 1.00 25.00 C ATOM 272 CD GLN A 18 -4.683 15.227 -18.701 1.00 25.00 C ATOM 273 OE1 GLN A 18 -5.526 14.898 -17.915 1.00 25.00 O ATOM 274 NE2 GLN A 18 -3.634 15.915 -18.339 1.00 25.00 N ATOM 0 H GLN A 18 -5.864 11.137 -20.883 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.863 13.576 -22.250 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.042 13.160 -19.768 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.327 12.803 -19.751 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.859 15.094 -20.657 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.575 15.446 -20.619 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -2.934 16.180 -19.032 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -3.515 16.188 -17.363 1.00 25.00 H new ATOM 283 N PHE A 19 -2.947 12.085 -21.966 1.00 25.00 N ATOM 284 CA PHE A 19 -1.581 12.017 -22.503 1.00 25.00 C ATOM 285 C PHE A 19 -1.583 11.521 -23.924 1.00 25.00 C ATOM 286 O PHE A 19 -0.650 11.876 -24.655 1.00 25.00 O ATOM 287 CB PHE A 19 -0.693 11.068 -21.661 1.00 25.00 C ATOM 288 CG PHE A 19 -0.345 11.574 -20.283 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.485 12.917 -19.909 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.153 10.623 -19.322 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.175 13.350 -18.599 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.485 11.059 -18.017 1.00 25.00 C ATOM 293 CZ PHE A 19 0.341 12.431 -17.649 1.00 25.00 C ATOM 0 H PHE A 19 -3.190 11.316 -21.341 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.177 13.029 -22.464 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.204 10.110 -21.561 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.232 10.881 -22.207 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.836 13.635 -20.635 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.272 9.585 -19.595 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.331 14.382 -18.321 1.00 25.00 H new ATOM 0 HE2 PHE A 19 0.851 10.347 -17.292 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.621 12.765 -16.661 1.00 25.00 H new ATOM 303 N GLN A 20 -2.603 10.741 -24.333 1.00 25.00 N ATOM 304 CA GLN A 20 -2.670 10.232 -25.700 1.00 25.00 C ATOM 305 C GLN A 20 -2.908 11.395 -26.659 1.00 25.00 C ATOM 306 O GLN A 20 -2.280 11.503 -27.726 1.00 25.00 O ATOM 307 CB GLN A 20 -3.800 9.237 -25.826 1.00 25.00 C ATOM 308 CG GLN A 20 -3.927 8.619 -27.168 1.00 25.00 C ATOM 309 CD GLN A 20 -5.154 7.676 -27.261 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.662 7.205 -26.277 1.00 25.00 O ATOM 311 NE2 GLN A 20 -5.610 7.418 -28.441 1.00 25.00 N ATOM 0 H GLN A 20 -3.380 10.457 -23.737 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.731 9.737 -25.946 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.656 8.448 -25.088 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.737 9.737 -25.580 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -4.014 9.402 -27.921 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -3.021 8.058 -27.396 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -5.164 7.828 -29.261 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -6.417 6.804 -28.553 1.00 25.00 H new ATOM 320 N GLN A 21 -3.839 12.249 -26.270 1.00 25.00 N ATOM 321 CA GLN A 21 -4.146 13.421 -27.050 1.00 25.00 C ATOM 322 C GLN A 21 -2.944 14.352 -27.099 1.00 25.00 C ATOM 323 O GLN A 21 -2.591 14.919 -28.122 1.00 25.00 O ATOM 324 CB GLN A 21 -5.319 14.186 -26.491 1.00 25.00 C ATOM 325 CG GLN A 21 -6.674 13.454 -26.561 1.00 25.00 C ATOM 326 CD GLN A 21 -7.171 13.259 -27.981 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.007 12.222 -28.554 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.808 14.265 -28.528 1.00 25.00 N ATOM 0 H GLN A 21 -4.391 12.147 -25.419 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.402 13.073 -28.051 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -5.110 14.430 -25.450 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.406 15.130 -27.029 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.580 12.481 -26.078 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.416 14.020 -25.997 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.929 15.135 -28.009 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.183 14.178 -29.473 1.00 25.00 H new ATOM 337 N TYR A 22 -2.257 14.500 -25.962 1.00 25.00 N ATOM 338 CA TYR A 22 -1.053 15.340 -25.954 1.00 25.00 C ATOM 339 C TYR A 22 0.041 14.774 -26.835 1.00 25.00 C ATOM 340 O TYR A 22 0.702 15.517 -27.552 1.00 25.00 O ATOM 341 CB TYR A 22 -0.530 15.461 -24.530 1.00 25.00 C ATOM 342 CG TYR A 22 0.717 16.327 -24.427 1.00 25.00 C ATOM 343 CD1 TYR A 22 0.654 17.733 -24.534 1.00 25.00 C ATOM 344 CD2 TYR A 22 1.984 15.749 -24.286 1.00 25.00 C ATOM 345 CE1 TYR A 22 1.826 18.539 -24.499 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.160 16.537 -24.192 1.00 25.00 C ATOM 347 CZ TYR A 22 3.097 17.902 -24.303 1.00 25.00 C ATOM 348 OH TYR A 22 4.267 18.612 -24.174 1.00 25.00 O ATOM 0 H TYR A 22 -2.499 14.070 -25.069 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.331 16.318 -26.347 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.311 15.881 -23.896 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.308 14.466 -24.145 1.00 25.00 H new ATOM 0 HD1 TYR A 22 -0.309 18.209 -24.645 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.069 14.673 -24.248 1.00 25.00 H new ATOM 0 HE1 TYR A 22 1.760 19.610 -24.618 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.114 16.057 -24.031 1.00 25.00 H new ATOM 0 HH TYR A 22 5.014 17.991 -24.048 1.00 25.00 H new ATOM 358 N ALA A 23 0.234 13.466 -26.781 1.00 25.00 N ATOM 359 CA ALA A 23 1.273 12.817 -27.527 1.00 25.00 C ATOM 360 C ALA A 23 1.104 13.064 -29.021 1.00 25.00 C ATOM 361 O ALA A 23 2.097 13.303 -29.713 1.00 25.00 O ATOM 362 CB ALA A 23 1.301 11.286 -27.225 1.00 25.00 C ATOM 0 H ALA A 23 -0.332 12.833 -26.215 1.00 25.00 H new ATOM 0 HA ALA A 23 2.226 13.244 -27.216 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.097 10.816 -27.802 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.482 11.128 -26.162 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.344 10.843 -27.500 1.00 25.00 H new ATOM 368 N ALA A 24 -0.139 12.994 -29.456 1.00 25.00 N ATOM 369 CA ALA A 24 -0.452 13.160 -30.876 1.00 25.00 C ATOM 370 C ALA A 24 -0.195 14.588 -31.338 1.00 25.00 C ATOM 371 O ALA A 24 0.025 14.828 -32.524 1.00 25.00 O ATOM 372 CB ALA A 24 -1.921 12.747 -31.106 1.00 25.00 C ATOM 0 H ALA A 24 -0.948 12.825 -28.858 1.00 25.00 H new ATOM 0 HA ALA A 24 0.201 12.521 -31.470 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.171 12.865 -32.160 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.056 11.705 -30.815 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.575 13.379 -30.505 1.00 25.00 H new ATOM 378 N GLN A 25 -0.273 15.546 -30.393 1.00 25.00 N ATOM 379 CA GLN A 25 -0.069 16.954 -30.663 1.00 25.00 C ATOM 380 C GLN A 25 1.441 17.258 -30.854 1.00 25.00 C ATOM 381 O GLN A 25 1.785 18.243 -31.506 1.00 25.00 O ATOM 382 CB GLN A 25 -0.605 17.735 -29.464 1.00 25.00 C ATOM 383 CG GLN A 25 -1.480 18.897 -29.794 1.00 25.00 C ATOM 384 CD GLN A 25 -2.176 19.377 -28.544 1.00 25.00 C ATOM 385 OE1 GLN A 25 -3.089 18.736 -28.059 1.00 25.00 O ATOM 386 NE2 GLN A 25 -1.764 20.526 -28.024 1.00 25.00 N ATOM 0 H GLN A 25 -0.483 15.345 -29.415 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.588 17.240 -31.578 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.165 17.050 -28.827 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.241 18.094 -28.879 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -0.885 19.703 -30.223 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.216 18.609 -30.545 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -0.995 21.036 -28.459 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.216 20.900 -27.190 1.00 25.00 H new ATOM 395 N GLN A 26 2.283 16.423 -30.269 1.00 25.00 N ATOM 396 CA GLN A 26 3.730 16.527 -30.345 1.00 25.00 C ATOM 397 C GLN A 26 4.375 15.648 -31.452 1.00 25.00 C ATOM 398 O GLN A 26 5.259 16.152 -32.172 1.00 25.00 O ATOM 399 CB GLN A 26 4.274 16.105 -28.991 1.00 25.00 C ATOM 400 CG GLN A 26 4.115 17.129 -27.862 1.00 25.00 C ATOM 401 CD GLN A 26 4.926 18.417 -28.118 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.050 18.386 -28.673 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.395 19.538 -27.740 1.00 25.00 N ATOM 0 H GLN A 26 1.968 15.629 -29.711 1.00 25.00 H new ATOM 0 HA GLN A 26 3.980 17.556 -30.605 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.777 15.182 -28.692 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.334 15.875 -29.101 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.061 17.383 -27.751 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.436 16.682 -26.921 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.480 19.543 -27.290 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.893 20.415 -27.893 1.00 25.00 H new ATOM 412 N TYR A 27 3.935 14.406 -31.585 1.00 25.00 N ATOM 413 CA TYR A 27 4.506 13.515 -32.605 1.00 25.00 C ATOM 414 C TYR A 27 3.414 12.930 -33.503 1.00 25.00 C ATOM 415 O TYR A 27 3.089 11.744 -33.459 1.00 25.00 O ATOM 416 CB TYR A 27 5.281 12.352 -31.925 1.00 25.00 C ATOM 417 CG TYR A 27 6.463 12.789 -31.088 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.342 13.826 -31.501 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.740 12.148 -29.824 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.474 14.207 -30.759 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.885 12.551 -29.036 1.00 25.00 C ATOM 422 CZ TYR A 27 8.722 13.574 -29.531 1.00 25.00 C ATOM 423 OH TYR A 27 9.843 13.955 -28.835 1.00 25.00 O ATOM 0 H TYR A 27 3.198 13.990 -31.015 1.00 25.00 H new ATOM 0 HA TYR A 27 5.186 14.106 -33.219 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.591 11.794 -31.292 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.632 11.667 -32.696 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.132 14.344 -32.425 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.090 11.364 -29.465 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.141 14.973 -31.127 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.095 12.078 -28.088 1.00 25.00 H new ATOM 0 HH TYR A 27 9.900 13.443 -28.001 1.00 25.00 H new ATOM 433 N PRO A 28 2.784 13.782 -34.333 1.00 25.00 N ATOM 434 CA PRO A 28 1.659 13.233 -35.112 1.00 25.00 C ATOM 435 C PRO A 28 2.117 12.287 -36.229 1.00 25.00 C ATOM 436 O PRO A 28 3.188 12.455 -36.814 1.00 25.00 O ATOM 437 CB PRO A 28 1.035 14.485 -35.708 1.00 25.00 C ATOM 438 CG PRO A 28 2.172 15.463 -35.825 1.00 25.00 C ATOM 439 CD PRO A 28 2.995 15.223 -34.578 1.00 25.00 C ATOM 0 HA PRO A 28 0.985 12.634 -34.500 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.588 14.280 -36.681 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.242 14.874 -35.069 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.757 15.288 -36.728 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.811 16.490 -35.873 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.048 15.459 -34.734 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.652 15.832 -33.741 1.00 25.00 H new ATOM 447 N GLY A 29 1.329 11.240 -36.458 1.00 25.00 N ATOM 448 CA GLY A 29 1.719 10.243 -37.455 1.00 25.00 C ATOM 449 C GLY A 29 2.807 9.270 -36.970 1.00 25.00 C ATOM 450 O GLY A 29 3.074 8.247 -37.669 1.00 25.00 O ATOM 0 H GLY A 29 0.443 11.061 -35.985 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.838 9.671 -37.747 1.00 25.00 H new ATOM 0 HA3 GLY A 29 2.076 10.756 -38.348 1.00 25.00 H new ATOM 454 N ASN A 30 3.319 9.472 -35.756 1.00 25.00 N ATOM 455 CA ASN A 30 4.303 8.532 -35.201 1.00 25.00 C ATOM 456 C ASN A 30 3.776 7.855 -33.939 1.00 25.00 C ATOM 457 O ASN A 30 4.056 8.248 -32.845 1.00 25.00 O ATOM 458 CB ASN A 30 5.636 9.221 -34.919 1.00 25.00 C ATOM 459 CG ASN A 30 6.458 9.383 -36.167 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.729 10.468 -36.586 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.891 8.299 -36.739 1.00 25.00 N ATOM 0 H ASN A 30 3.079 10.256 -35.148 1.00 25.00 H new ATOM 0 HA ASN A 30 4.472 7.763 -35.955 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.452 10.200 -34.476 1.00 25.00 H new ATOM 0 HB3 ASN A 30 6.197 8.640 -34.187 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.480 8.361 -37.570 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.642 7.387 -36.357 1.00 25.00 H new ATOM 468 N TYR A 31 3.020 6.766 -34.121 1.00 25.00 N ATOM 469 CA TYR A 31 2.487 5.989 -32.984 1.00 25.00 C ATOM 470 C TYR A 31 3.555 5.531 -32.021 1.00 25.00 C ATOM 471 O TYR A 31 3.432 5.701 -30.829 1.00 25.00 O ATOM 472 CB TYR A 31 1.714 4.776 -33.534 1.00 25.00 C ATOM 473 CG TYR A 31 1.502 3.665 -32.486 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.490 3.753 -31.481 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.298 2.492 -32.497 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.299 2.682 -30.557 1.00 25.00 C ATOM 477 CE2 TYR A 31 2.119 1.447 -31.529 1.00 25.00 C ATOM 478 CZ TYR A 31 1.099 1.538 -30.596 1.00 25.00 C ATOM 479 OH TYR A 31 0.939 0.553 -29.669 1.00 25.00 O ATOM 0 H TYR A 31 2.762 6.400 -35.038 1.00 25.00 H new ATOM 0 HA TYR A 31 1.828 6.646 -32.416 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.744 5.108 -33.903 1.00 25.00 H new ATOM 0 HB3 TYR A 31 2.255 4.364 -34.386 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.133 4.633 -31.420 1.00 25.00 H new ATOM 0 HD2 TYR A 31 3.060 2.381 -33.254 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.480 2.758 -29.813 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.778 0.592 -31.528 1.00 25.00 H new ATOM 0 HH TYR A 31 1.577 -0.169 -29.846 1.00 25.00 H new ATOM 489 N GLU A 32 4.659 5.025 -32.542 1.00 25.00 N ATOM 490 CA GLU A 32 5.748 4.529 -31.671 1.00 25.00 C ATOM 491 C GLU A 32 6.385 5.619 -30.783 1.00 25.00 C ATOM 492 O GLU A 32 6.533 5.469 -29.562 1.00 25.00 O ATOM 493 CB GLU A 32 6.831 3.861 -32.526 1.00 25.00 C ATOM 494 CG GLU A 32 7.457 4.800 -33.555 1.00 25.00 C ATOM 495 CD GLU A 32 7.933 4.105 -34.794 1.00 25.00 C ATOM 496 OE1 GLU A 32 9.002 3.493 -34.750 1.00 25.00 O ATOM 497 OE2 GLU A 32 7.227 4.233 -35.826 1.00 25.00 O ATOM 0 H GLU A 32 4.838 4.941 -33.543 1.00 25.00 H new ATOM 0 HA GLU A 32 5.292 3.809 -30.992 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.614 3.477 -31.872 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.398 3.004 -33.043 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.726 5.559 -33.833 1.00 25.00 H new ATOM 0 HG3 GLU A 32 8.297 5.320 -33.095 1.00 25.00 H new ATOM 504 N GLN A 33 6.618 6.794 -31.371 1.00 25.00 N ATOM 505 CA GLN A 33 7.140 7.931 -30.613 1.00 25.00 C ATOM 506 C GLN A 33 6.116 8.438 -29.604 1.00 25.00 C ATOM 507 O GLN A 33 6.490 8.853 -28.485 1.00 25.00 O ATOM 508 CB GLN A 33 7.532 9.058 -31.545 1.00 25.00 C ATOM 509 CG GLN A 33 8.744 8.770 -32.411 1.00 25.00 C ATOM 510 CD GLN A 33 10.027 8.615 -31.598 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.337 9.447 -30.759 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.771 7.583 -31.865 1.00 25.00 N ATOM 0 H GLN A 33 6.455 6.982 -32.360 1.00 25.00 H new ATOM 0 HA GLN A 33 8.022 7.588 -30.072 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.686 9.287 -32.192 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.730 9.950 -30.951 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.569 7.858 -32.982 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.871 9.578 -33.131 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.476 6.911 -32.573 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.650 7.445 -31.366 1.00 25.00 H new ATOM 521 N GLN A 34 4.859 8.371 -29.959 1.00 25.00 N ATOM 522 CA GLN A 34 3.783 8.786 -29.064 1.00 25.00 C ATOM 523 C GLN A 34 3.749 7.908 -27.802 1.00 25.00 C ATOM 524 O GLN A 34 3.463 8.352 -26.715 1.00 25.00 O ATOM 525 CB GLN A 34 2.444 8.675 -29.800 1.00 25.00 C ATOM 526 CG GLN A 34 2.129 9.827 -30.780 1.00 25.00 C ATOM 527 CD GLN A 34 0.847 9.530 -31.538 1.00 25.00 C ATOM 528 OE1 GLN A 34 0.044 8.717 -31.133 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.643 10.227 -32.619 1.00 25.00 N ATOM 0 H GLN A 34 4.542 8.032 -30.867 1.00 25.00 H new ATOM 0 HA GLN A 34 3.960 9.818 -28.761 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.430 7.736 -30.353 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.645 8.621 -29.060 1.00 25.00 H new ATOM 0 HG2 GLN A 34 2.028 10.764 -30.232 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.954 9.955 -31.481 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.341 10.902 -32.930 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.215 10.098 -33.155 1.00 25.00 H new ATOM 538 N GLN A 35 4.054 6.617 -27.965 1.00 25.00 N ATOM 539 CA GLN A 35 4.057 5.692 -26.801 1.00 25.00 C ATOM 540 C GLN A 35 5.266 6.064 -25.908 1.00 25.00 C ATOM 541 O GLN A 35 5.144 6.089 -24.714 1.00 25.00 O ATOM 542 CB GLN A 35 4.135 4.233 -27.243 1.00 25.00 C ATOM 543 CG GLN A 35 2.879 3.727 -28.054 1.00 25.00 C ATOM 544 CD GLN A 35 1.714 3.299 -27.169 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.746 2.285 -26.501 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.667 4.085 -27.189 1.00 25.00 N ATOM 0 H GLN A 35 4.297 6.187 -28.858 1.00 25.00 H new ATOM 0 HA GLN A 35 3.126 5.797 -26.245 1.00 25.00 H new ATOM 0 HB2 GLN A 35 5.026 4.100 -27.857 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.259 3.605 -26.361 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.545 4.521 -28.722 1.00 25.00 H new ATOM 0 HG3 GLN A 35 3.176 2.886 -28.681 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.674 4.929 -27.761 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.155 3.853 -26.632 1.00 25.00 H new ATOM 555 N ILE A 36 6.413 6.328 -26.537 1.00 25.00 N ATOM 556 CA ILE A 36 7.624 6.631 -25.802 1.00 25.00 C ATOM 557 C ILE A 36 7.410 7.874 -24.936 1.00 25.00 C ATOM 558 O ILE A 36 7.764 7.937 -23.760 1.00 25.00 O ATOM 559 CB ILE A 36 8.832 6.847 -26.713 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.095 5.555 -27.510 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.067 7.308 -25.935 1.00 25.00 C ATOM 562 CD1 ILE A 36 10.020 5.772 -28.769 1.00 25.00 C ATOM 0 H ILE A 36 6.520 6.336 -27.551 1.00 25.00 H new ATOM 0 HA ILE A 36 7.840 5.765 -25.177 1.00 25.00 H new ATOM 0 HB ILE A 36 8.609 7.654 -27.411 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.557 4.819 -26.852 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.142 5.138 -27.836 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.900 7.448 -26.624 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.849 8.250 -25.432 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.332 6.554 -25.194 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.163 4.822 -29.283 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.550 6.484 -29.447 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.987 6.160 -28.448 1.00 25.00 H new ATOM 574 N LEU A 37 6.698 8.851 -25.519 1.00 25.00 N ATOM 575 CA LEU A 37 6.436 10.093 -24.849 1.00 25.00 C ATOM 576 C LEU A 37 5.574 9.905 -23.617 1.00 25.00 C ATOM 577 O LEU A 37 5.965 10.266 -22.535 1.00 25.00 O ATOM 578 CB LEU A 37 5.757 11.107 -25.795 1.00 25.00 C ATOM 579 CG LEU A 37 5.572 12.512 -25.198 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.912 13.143 -24.620 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.056 13.475 -26.277 1.00 25.00 C ATOM 0 H LEU A 37 6.301 8.785 -26.456 1.00 25.00 H new ATOM 0 HA LEU A 37 7.405 10.483 -24.537 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.350 11.188 -26.706 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.781 10.718 -26.084 1.00 25.00 H new ATOM 0 HG LEU A 37 4.865 12.388 -24.378 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.703 14.134 -24.216 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.303 12.504 -23.829 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.650 13.225 -25.418 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.927 14.468 -25.847 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.775 13.524 -27.095 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.099 13.117 -26.656 1.00 25.00 H new ATOM 593 N ILE A 38 4.437 9.254 -23.801 1.00 25.00 N ATOM 594 CA ILE A 38 3.516 8.918 -22.719 1.00 25.00 C ATOM 595 C ILE A 38 4.248 8.158 -21.599 1.00 25.00 C ATOM 596 O ILE A 38 4.050 8.477 -20.421 1.00 25.00 O ATOM 597 CB ILE A 38 2.305 8.046 -23.238 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.458 8.849 -24.262 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.399 7.615 -22.089 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.569 7.938 -25.182 1.00 25.00 C ATOM 0 H ILE A 38 4.120 8.938 -24.718 1.00 25.00 H new ATOM 0 HA ILE A 38 3.125 9.856 -22.326 1.00 25.00 H new ATOM 0 HB ILE A 38 2.725 7.160 -23.714 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.816 9.547 -23.724 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.124 9.444 -24.886 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.576 7.017 -22.480 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.972 7.022 -21.376 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.001 8.498 -21.589 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.003 8.562 -25.874 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.207 7.257 -25.746 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.121 7.362 -24.566 1.00 25.00 H new ATOM 612 N ARG A 39 5.120 7.216 -21.947 1.00 25.00 N ATOM 613 CA ARG A 39 5.896 6.485 -20.953 1.00 25.00 C ATOM 614 C ARG A 39 6.653 7.454 -20.058 1.00 25.00 C ATOM 615 O ARG A 39 6.640 7.318 -18.816 1.00 25.00 O ATOM 616 CB ARG A 39 6.905 5.544 -21.637 1.00 25.00 C ATOM 617 CG ARG A 39 7.562 4.473 -20.763 1.00 25.00 C ATOM 618 CD ARG A 39 8.885 4.005 -21.426 1.00 25.00 C ATOM 619 NE ARG A 39 8.762 3.495 -22.805 1.00 25.00 N ATOM 620 CZ ARG A 39 9.787 3.319 -23.632 1.00 25.00 C ATOM 621 NH1 ARG A 39 10.967 3.667 -23.287 1.00 25.00 N ATOM 622 NH2 ARG A 39 9.597 2.815 -24.815 1.00 25.00 N ATOM 0 H ARG A 39 5.306 6.941 -22.912 1.00 25.00 H new ATOM 0 HA ARG A 39 5.203 5.896 -20.353 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.396 5.043 -22.461 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.695 6.155 -22.075 1.00 25.00 H new ATOM 0 HG2 ARG A 39 7.762 4.872 -19.769 1.00 25.00 H new ATOM 0 HG3 ARG A 39 6.887 3.627 -20.637 1.00 25.00 H new ATOM 0 HD2 ARG A 39 9.585 4.841 -21.428 1.00 25.00 H new ATOM 0 HD3 ARG A 39 9.324 3.223 -20.806 1.00 25.00 H new ATOM 0 HE ARG A 39 7.829 3.262 -23.146 1.00 25.00 H new ATOM 0 HH11 ARG A 39 11.128 4.084 -22.370 1.00 25.00 H new ATOM 0 HH12 ARG A 39 11.748 3.528 -23.928 1.00 25.00 H new ATOM 0 HH21 ARG A 39 8.657 2.552 -25.113 1.00 25.00 H new ATOM 0 HH22 ARG A 39 10.388 2.682 -25.446 1.00 25.00 H new ATOM 636 N GLN A 40 7.284 8.440 -20.664 1.00 25.00 N ATOM 637 CA GLN A 40 8.016 9.468 -19.914 1.00 25.00 C ATOM 638 C GLN A 40 7.121 10.354 -19.047 1.00 25.00 C ATOM 639 O GLN A 40 7.512 10.715 -17.951 1.00 25.00 O ATOM 640 CB GLN A 40 8.845 10.365 -20.840 1.00 25.00 C ATOM 641 CG GLN A 40 9.980 9.632 -21.568 1.00 25.00 C ATOM 642 CD GLN A 40 10.646 10.545 -22.544 1.00 25.00 C ATOM 643 OE1 GLN A 40 11.424 11.399 -22.207 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.302 10.396 -23.803 1.00 25.00 N ATOM 0 H GLN A 40 7.311 8.560 -21.677 1.00 25.00 H new ATOM 0 HA GLN A 40 8.673 8.906 -19.251 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.184 10.815 -21.580 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.270 11.180 -20.254 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.709 9.268 -20.845 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.584 8.760 -22.088 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.641 9.666 -24.068 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.696 11.010 -24.515 1.00 25.00 H new ATOM 653 N LEU A 41 5.975 10.737 -19.556 1.00 25.00 N ATOM 654 CA LEU A 41 5.079 11.596 -18.755 1.00 25.00 C ATOM 655 C LEU A 41 4.575 10.796 -17.514 1.00 25.00 C ATOM 656 O LEU A 41 4.439 11.333 -16.406 1.00 25.00 O ATOM 657 CB LEU A 41 3.905 12.089 -19.580 1.00 25.00 C ATOM 658 CG LEU A 41 4.214 12.861 -20.885 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.943 13.015 -21.675 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.836 14.211 -20.600 1.00 25.00 C ATOM 0 H LEU A 41 5.632 10.489 -20.484 1.00 25.00 H new ATOM 0 HA LEU A 41 5.637 12.472 -18.424 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.291 11.226 -19.839 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.297 12.734 -18.945 1.00 25.00 H new ATOM 0 HG LEU A 41 4.941 12.293 -21.466 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.151 13.558 -22.597 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.543 12.030 -21.916 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.213 13.568 -21.085 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.039 14.724 -21.540 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.149 14.809 -20.001 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.769 14.074 -20.053 1.00 25.00 H new ATOM 672 N GLN A 42 4.269 9.541 -17.723 1.00 25.00 N ATOM 673 CA GLN A 42 3.875 8.672 -16.621 1.00 25.00 C ATOM 674 C GLN A 42 4.983 8.529 -15.580 1.00 25.00 C ATOM 675 O GLN A 42 4.700 8.408 -14.403 1.00 25.00 O ATOM 676 CB GLN A 42 3.526 7.318 -17.165 1.00 25.00 C ATOM 677 CG GLN A 42 2.263 7.375 -17.991 1.00 25.00 C ATOM 678 CD GLN A 42 2.036 6.059 -18.655 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.938 5.295 -18.875 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.806 5.788 -18.970 1.00 25.00 N ATOM 0 H GLN A 42 4.282 9.091 -18.638 1.00 25.00 H new ATOM 0 HA GLN A 42 3.014 9.123 -16.128 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.348 6.945 -17.776 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.395 6.614 -16.343 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.413 7.624 -17.356 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.343 8.162 -18.741 1.00 25.00 H new ATOM 0 HE21 GLN A 42 0.067 6.462 -18.767 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.578 4.901 -19.420 1.00 25.00 H new ATOM 689 N GLU A 43 6.235 8.554 -15.984 1.00 25.00 N ATOM 690 CA GLU A 43 7.341 8.480 -15.033 1.00 25.00 C ATOM 691 C GLU A 43 7.438 9.705 -14.159 1.00 25.00 C ATOM 692 O GLU A 43 7.617 9.617 -12.934 1.00 25.00 O ATOM 693 CB GLU A 43 8.623 8.229 -15.783 1.00 25.00 C ATOM 694 CG GLU A 43 9.807 7.933 -14.863 1.00 25.00 C ATOM 695 CD GLU A 43 11.079 7.913 -15.641 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.382 8.947 -16.245 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.690 6.845 -15.749 1.00 25.00 O ATOM 0 H GLU A 43 6.520 8.625 -16.961 1.00 25.00 H new ATOM 0 HA GLU A 43 7.152 7.649 -14.353 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.481 7.390 -16.464 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.855 9.100 -16.396 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.865 8.689 -14.080 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.660 6.972 -14.369 1.00 25.00 H new ATOM 704 N GLN A 44 7.266 10.894 -14.781 1.00 25.00 N ATOM 705 CA GLN A 44 7.277 12.170 -14.052 1.00 25.00 C ATOM 706 C GLN A 44 6.140 12.191 -13.024 1.00 25.00 C ATOM 707 O GLN A 44 6.342 12.515 -11.849 1.00 25.00 O ATOM 708 CB GLN A 44 7.167 13.328 -15.041 1.00 25.00 C ATOM 709 CG GLN A 44 8.330 13.482 -16.019 1.00 25.00 C ATOM 710 CD GLN A 44 9.680 13.628 -15.310 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.317 12.669 -14.974 1.00 25.00 O ATOM 712 NE2 GLN A 44 10.088 14.835 -15.065 1.00 25.00 N ATOM 0 H GLN A 44 7.118 10.990 -15.786 1.00 25.00 H new ATOM 0 HA GLN A 44 8.217 12.280 -13.511 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.249 13.204 -15.615 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.067 14.255 -14.476 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.362 12.615 -16.679 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.158 14.355 -16.648 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.527 15.633 -15.362 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.970 14.986 -14.576 1.00 25.00 H new ATOM 721 N HIS A 45 4.920 11.839 -13.484 1.00 25.00 N ATOM 722 CA HIS A 45 3.755 11.859 -12.584 1.00 25.00 C ATOM 723 C HIS A 45 3.921 10.840 -11.450 1.00 25.00 C ATOM 724 O HIS A 45 3.558 11.154 -10.305 1.00 25.00 O ATOM 725 CB HIS A 45 2.484 11.573 -13.373 1.00 25.00 C ATOM 726 CG HIS A 45 1.233 12.001 -12.662 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.619 13.221 -12.856 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.457 11.347 -11.774 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.458 13.261 -12.089 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.608 12.139 -11.408 1.00 25.00 N ATOM 0 H HIS A 45 4.722 11.547 -14.441 1.00 25.00 H new ATOM 0 HA HIS A 45 3.681 12.851 -12.137 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.539 12.083 -14.335 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.427 10.505 -13.582 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.643 10.349 -11.405 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.130 14.104 -12.027 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.354 11.909 -10.751 1.00 25.00 H new ATOM 738 N TYR A 46 4.472 9.650 -11.721 1.00 25.00 N ATOM 739 CA TYR A 46 4.722 8.689 -10.650 1.00 25.00 C ATOM 740 C TYR A 46 5.718 9.163 -9.626 1.00 25.00 C ATOM 741 O TYR A 46 5.482 9.085 -8.437 1.00 25.00 O ATOM 742 CB TYR A 46 5.153 7.371 -11.204 1.00 25.00 C ATOM 743 CG TYR A 46 5.441 6.317 -10.125 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.438 5.985 -9.179 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.710 5.698 -10.029 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.709 5.031 -8.208 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.970 4.756 -9.041 1.00 25.00 C ATOM 748 CZ TYR A 46 5.993 4.407 -8.133 1.00 25.00 C ATOM 749 OH TYR A 46 6.289 3.444 -7.199 1.00 25.00 O ATOM 0 H TYR A 46 4.747 9.338 -12.652 1.00 25.00 H new ATOM 0 HA TYR A 46 3.769 8.579 -10.132 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.377 6.995 -11.870 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.049 7.515 -11.808 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.473 6.469 -9.214 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.486 5.961 -10.732 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.940 4.757 -7.500 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.944 4.294 -8.984 1.00 25.00 H new ATOM 0 HH TYR A 46 6.564 3.873 -6.362 1.00 25.00 H new ATOM 759 N GLN A 47 6.804 9.798 -10.090 1.00 25.00 N ATOM 760 CA GLN A 47 7.798 10.339 -9.157 1.00 25.00 C ATOM 761 C GLN A 47 7.215 11.450 -8.285 1.00 25.00 C ATOM 762 O GLN A 47 7.590 11.591 -7.121 1.00 25.00 O ATOM 763 CB GLN A 47 9.016 10.873 -9.911 1.00 25.00 C ATOM 764 CG GLN A 47 9.919 9.848 -10.520 1.00 25.00 C ATOM 765 CD GLN A 47 11.024 10.530 -11.293 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.934 10.541 -12.595 1.00 25.00 O flip ATOM 767 NE2 GLN A 47 11.935 11.083 -10.683 1.00 25.00 N flip ATOM 0 H GLN A 47 7.012 9.946 -11.077 1.00 25.00 H new ATOM 0 HA GLN A 47 8.103 9.518 -8.509 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.665 11.534 -10.703 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.604 11.482 -9.224 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.345 9.217 -9.740 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.349 9.196 -11.182 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.962 11.047 -9.664 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.665 11.579 -11.195 1.00 25.00 H new ATOM 776 N GLN A 48 6.319 12.246 -8.823 1.00 25.00 N ATOM 777 CA GLN A 48 5.698 13.308 -8.019 1.00 25.00 C ATOM 778 C GLN A 48 4.936 12.704 -6.833 1.00 25.00 C ATOM 779 O GLN A 48 4.989 13.229 -5.732 1.00 25.00 O ATOM 780 CB GLN A 48 4.765 14.121 -8.940 1.00 25.00 C ATOM 781 CG GLN A 48 4.280 15.438 -8.306 1.00 25.00 C ATOM 782 CD GLN A 48 5.233 16.607 -8.525 1.00 25.00 C ATOM 783 OE1 GLN A 48 6.128 16.862 -7.735 1.00 25.00 O ATOM 784 NE2 GLN A 48 4.982 17.377 -9.580 1.00 25.00 N ATOM 0 H GLN A 48 6.000 12.193 -9.790 1.00 25.00 H new ATOM 0 HA GLN A 48 6.459 13.969 -7.604 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.288 14.344 -9.870 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.900 13.511 -9.200 1.00 25.00 H new ATOM 0 HG2 GLN A 48 3.304 15.693 -8.720 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.143 15.287 -7.235 1.00 25.00 H new ATOM 0 HE21 GLN A 48 4.226 17.134 -10.220 1.00 25.00 H new ATOM 0 HE22 GLN A 48 5.546 18.210 -9.749 1.00 25.00 H new ATOM 793 N TYR A 49 4.221 11.596 -7.093 1.00 25.00 N ATOM 794 CA TYR A 49 3.411 10.935 -6.066 1.00 25.00 C ATOM 795 C TYR A 49 4.303 10.232 -5.060 1.00 25.00 C ATOM 796 O TYR A 49 4.078 10.267 -3.848 1.00 25.00 O ATOM 797 CB TYR A 49 2.529 9.924 -6.763 1.00 25.00 C ATOM 798 CG TYR A 49 1.380 9.449 -5.889 1.00 25.00 C ATOM 799 CD1 TYR A 49 0.297 10.310 -5.548 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.368 8.127 -5.355 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.790 9.884 -4.709 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.275 7.710 -4.535 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.755 8.577 -4.233 1.00 25.00 C ATOM 804 OH TYR A 49 -1.712 8.047 -3.424 1.00 25.00 O ATOM 0 H TYR A 49 4.190 11.143 -8.006 1.00 25.00 H new ATOM 0 HA TYR A 49 2.810 11.669 -5.529 1.00 25.00 H new ATOM 0 HB2 TYR A 49 2.128 10.365 -7.675 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.132 9.066 -7.062 1.00 25.00 H new ATOM 0 HD1 TYR A 49 0.293 11.319 -5.934 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.179 7.446 -5.569 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.601 10.552 -4.458 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.255 6.703 -4.146 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.485 7.117 -3.215 1.00 25.00 H new ATOM 814 N MET A 50 5.373 9.641 -5.565 1.00 25.00 N ATOM 815 CA MET A 50 6.381 9.028 -4.703 1.00 25.00 C ATOM 816 C MET A 50 6.985 10.065 -3.757 1.00 25.00 C ATOM 817 O MET A 50 7.343 9.713 -2.670 1.00 25.00 O ATOM 818 CB MET A 50 7.471 8.378 -5.507 1.00 25.00 C ATOM 819 CG MET A 50 7.070 7.088 -6.169 1.00 25.00 C ATOM 820 SD MET A 50 7.040 5.797 -4.929 1.00 25.00 S ATOM 821 CE MET A 50 5.186 5.628 -4.602 1.00 25.00 C ATOM 0 H MET A 50 5.570 9.570 -6.563 1.00 25.00 H new ATOM 0 HA MET A 50 5.882 8.257 -4.117 1.00 25.00 H new ATOM 0 HB2 MET A 50 7.806 9.077 -6.274 1.00 25.00 H new ATOM 0 HB3 MET A 50 8.323 8.188 -4.854 1.00 25.00 H new ATOM 0 HG2 MET A 50 6.089 7.190 -6.633 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.773 6.835 -6.962 1.00 25.00 H new ATOM 0 HE1 MET A 50 5.006 5.611 -3.527 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.660 6.474 -5.045 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.821 4.701 -5.045 1.00 25.00 H new