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 30:sc= 0 USER MOD Set 1.2: A 50 MET CE :methyl -179:sc= 0 (180deg=-0.000249) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.328 K(o=1.8,f=-0.35) USER MOD Set 2.2: A 15 THR OG1 : rot -71:sc= 1.22 USER MOD Set 2.3: A 42 GLN : amide:sc= 0.235 K(o=1.8,f=-0.35!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.26) USER MOD Single : A 6 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.53) USER MOD Single : A 8 MET CE :methyl -178:sc= 0 (180deg=-0.00319) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0462 X(o=-0.046,f=-0.066) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0044 X(o=-0.0044,f=-0.036) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 26 GLN : amide:sc=-0.00457 X(o=-0.0046,f=-0.0046) 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 K(o=0,f=-0.79) USER MOD Single : A 34 GLN : amide:sc= 0.83 K(o=0.83,f=-0.72) USER MOD Single : A 35 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.029) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.05 K(o=-1,f=-1.6) USER MOD Single : A 45 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,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 6.025 -0.541 -6.223 1.00 25.00 N ATOM 54 CA LYS A 4 5.981 0.695 -7.023 1.00 25.00 C ATOM 55 C LYS A 4 5.306 0.484 -8.376 1.00 25.00 C ATOM 56 O LYS A 4 4.649 1.379 -8.901 1.00 25.00 O ATOM 57 CB LYS A 4 7.396 1.254 -7.235 1.00 25.00 C ATOM 58 CG LYS A 4 8.067 1.689 -5.925 1.00 25.00 C ATOM 59 CD LYS A 4 9.461 2.298 -6.142 1.00 25.00 C ATOM 60 CE LYS A 4 9.391 3.718 -6.708 1.00 25.00 C ATOM 61 NZ LYS A 4 10.750 4.348 -6.893 1.00 25.00 N ATOM 0 HA LYS A 4 5.385 1.413 -6.460 1.00 25.00 H new ATOM 0 HB2 LYS A 4 8.012 0.496 -7.719 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.347 2.106 -7.913 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.432 2.418 -5.422 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.151 0.828 -5.262 1.00 25.00 H new ATOM 0 HD2 LYS A 4 10.000 2.313 -5.195 1.00 25.00 H new ATOM 0 HD3 LYS A 4 10.030 1.665 -6.823 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.874 3.696 -7.667 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.796 4.341 -6.040 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.638 5.307 -7.278 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 11.237 4.398 -5.976 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 11.312 3.773 -7.553 1.00 25.00 H new ATOM 75 N GLN A 5 5.434 -0.718 -8.918 1.00 25.00 N ATOM 76 CA GLN A 5 4.822 -1.046 -10.206 1.00 25.00 C ATOM 77 C GLN A 5 3.291 -1.062 -10.144 1.00 25.00 C ATOM 78 O GLN A 5 2.633 -0.731 -11.118 1.00 25.00 O ATOM 79 CB GLN A 5 5.348 -2.396 -10.704 1.00 25.00 C ATOM 80 CG GLN A 5 4.835 -2.810 -12.075 1.00 25.00 C ATOM 81 CD GLN A 5 5.043 -1.756 -13.155 1.00 25.00 C ATOM 82 OE1 GLN A 5 6.053 -1.067 -13.190 1.00 25.00 O ATOM 83 NE2 GLN A 5 4.087 -1.637 -14.036 1.00 25.00 N ATOM 0 H GLN A 5 5.954 -1.484 -8.490 1.00 25.00 H new ATOM 0 HA GLN A 5 5.102 -0.260 -10.907 1.00 25.00 H new ATOM 0 HB2 GLN A 5 6.437 -2.358 -10.735 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.076 -3.166 -9.982 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.336 -3.730 -12.377 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.771 -3.036 -12.001 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.259 -2.230 -13.974 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.168 -0.951 -14.787 1.00 25.00 H new ATOM 92 N GLN A 6 2.720 -1.399 -8.994 1.00 25.00 N ATOM 93 CA GLN A 6 1.261 -1.408 -8.850 1.00 25.00 C ATOM 94 C GLN A 6 0.730 -0.004 -9.023 1.00 25.00 C ATOM 95 O GLN A 6 -0.314 0.218 -9.631 1.00 25.00 O ATOM 96 CB GLN A 6 0.853 -1.925 -7.462 1.00 25.00 C ATOM 97 CG GLN A 6 1.267 -3.369 -7.173 1.00 25.00 C ATOM 98 CD GLN A 6 0.622 -4.375 -8.104 1.00 25.00 C ATOM 99 OE1 GLN A 6 1.028 -4.525 -9.236 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.363 -5.078 -7.614 1.00 25.00 N ATOM 0 H GLN A 6 3.233 -1.667 -8.154 1.00 25.00 H new ATOM 0 HA GLN A 6 0.844 -2.068 -9.611 1.00 25.00 H new ATOM 0 HB2 GLN A 6 1.292 -1.276 -6.704 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.229 -1.844 -7.363 1.00 25.00 H new ATOM 0 HG2 GLN A 6 2.351 -3.452 -7.254 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.005 -3.616 -6.144 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.675 -4.921 -6.656 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -0.821 -5.785 -8.190 1.00 25.00 H new ATOM 109 N ILE A 7 1.498 0.951 -8.520 1.00 25.00 N ATOM 110 CA ILE A 7 1.130 2.355 -8.605 1.00 25.00 C ATOM 111 C ILE A 7 1.255 2.814 -10.061 1.00 25.00 C ATOM 112 O ILE A 7 0.358 3.434 -10.589 1.00 25.00 O ATOM 113 CB ILE A 7 2.033 3.227 -7.687 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.941 2.718 -6.237 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.623 4.725 -7.761 1.00 25.00 C ATOM 116 CD1 ILE A 7 3.111 3.115 -5.370 1.00 25.00 C ATOM 0 H ILE A 7 2.384 0.777 -8.046 1.00 25.00 H new ATOM 0 HA ILE A 7 0.101 2.473 -8.266 1.00 25.00 H new ATOM 0 HB ILE A 7 3.063 3.145 -8.033 1.00 25.00 H new ATOM 0 HG12 ILE A 7 1.024 3.098 -5.787 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.864 1.631 -6.249 1.00 25.00 H new ATOM 0 HG21 ILE A 7 2.270 5.312 -7.110 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.723 5.079 -8.787 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.588 4.835 -7.438 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.970 2.718 -4.365 1.00 25.00 H new ATOM 0 HD12 ILE A 7 4.031 2.712 -5.794 1.00 25.00 H new ATOM 0 HD13 ILE A 7 3.178 4.202 -5.325 1.00 25.00 H new ATOM 128 N MET A 8 2.333 2.423 -10.720 1.00 25.00 N ATOM 129 CA MET A 8 2.539 2.748 -12.140 1.00 25.00 C ATOM 130 C MET A 8 1.447 2.159 -13.036 1.00 25.00 C ATOM 131 O MET A 8 1.033 2.789 -14.016 1.00 25.00 O ATOM 132 CB MET A 8 3.901 2.223 -12.634 1.00 25.00 C ATOM 133 CG MET A 8 5.084 2.979 -12.064 1.00 25.00 C ATOM 134 SD MET A 8 5.099 4.692 -12.599 1.00 25.00 S ATOM 135 CE MET A 8 5.659 4.615 -14.278 1.00 25.00 C ATOM 0 H MET A 8 3.087 1.878 -10.301 1.00 25.00 H new ATOM 0 HA MET A 8 2.504 3.835 -12.208 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.992 1.169 -12.370 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.932 2.283 -13.722 1.00 25.00 H new ATOM 0 HG2 MET A 8 5.051 2.938 -10.975 1.00 25.00 H new ATOM 0 HG3 MET A 8 6.009 2.493 -12.373 1.00 25.00 H new ATOM 0 HE1 MET A 8 5.735 5.624 -14.683 1.00 25.00 H new ATOM 0 HE2 MET A 8 6.637 4.135 -14.314 1.00 25.00 H new ATOM 0 HE3 MET A 8 4.950 4.039 -14.872 1.00 25.00 H new ATOM 145 N ALA A 9 0.953 0.975 -12.705 1.00 25.00 N ATOM 146 CA ALA A 9 -0.122 0.351 -13.472 1.00 25.00 C ATOM 147 C ALA A 9 -1.421 1.145 -13.277 1.00 25.00 C ATOM 148 O ALA A 9 -2.161 1.378 -14.220 1.00 25.00 O ATOM 149 CB ALA A 9 -0.303 -1.106 -13.038 1.00 25.00 C ATOM 0 H ALA A 9 1.278 0.424 -11.910 1.00 25.00 H new ATOM 0 HA ALA A 9 0.137 0.359 -14.531 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.107 -1.561 -13.617 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.623 -1.655 -13.210 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -0.554 -1.141 -11.978 1.00 25.00 H new ATOM 155 N ALA A 10 -1.685 1.572 -12.046 1.00 25.00 N ATOM 156 CA ALA A 10 -2.892 2.335 -11.739 1.00 25.00 C ATOM 157 C ALA A 10 -2.848 3.696 -12.445 1.00 25.00 C ATOM 158 O ALA A 10 -3.830 4.127 -13.055 1.00 25.00 O ATOM 159 CB ALA A 10 -3.024 2.513 -10.219 1.00 25.00 C ATOM 0 H ALA A 10 -1.079 1.403 -11.243 1.00 25.00 H new ATOM 0 HA ALA A 10 -3.764 1.790 -12.101 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -3.926 3.083 -9.996 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.086 1.535 -9.742 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.154 3.048 -9.838 1.00 25.00 H new ATOM 165 N LEU A 11 -1.695 4.353 -12.392 1.00 25.00 N ATOM 166 CA LEU A 11 -1.516 5.654 -13.032 1.00 25.00 C ATOM 167 C LEU A 11 -1.642 5.540 -14.550 1.00 25.00 C ATOM 168 O LEU A 11 -2.090 6.480 -15.200 1.00 25.00 O ATOM 169 CB LEU A 11 -0.150 6.245 -12.681 1.00 25.00 C ATOM 170 CG LEU A 11 0.062 6.661 -11.221 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.499 7.097 -11.021 1.00 25.00 C ATOM 172 CD2 LEU A 11 -0.893 7.777 -10.811 1.00 25.00 C ATOM 0 H LEU A 11 -0.866 4.005 -11.910 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.300 6.313 -12.660 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.615 5.514 -12.942 1.00 25.00 H new ATOM 0 HB3 LEU A 11 0.016 7.118 -13.312 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.150 5.800 -10.587 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.648 7.393 -9.983 1.00 25.00 H new ATOM 0 HD12 LEU A 11 2.167 6.270 -11.263 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.717 7.942 -11.674 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.713 8.045 -9.770 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.727 8.649 -11.444 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -1.922 7.436 -10.925 1.00 25.00 H new ATOM 184 N ASN A 12 -1.273 4.402 -15.102 1.00 25.00 N ATOM 185 CA ASN A 12 -1.375 4.190 -16.551 1.00 25.00 C ATOM 186 C ASN A 12 -2.824 4.329 -17.009 1.00 25.00 C ATOM 187 O ASN A 12 -3.107 5.001 -17.988 1.00 25.00 O ATOM 188 CB ASN A 12 -0.845 2.802 -16.932 1.00 25.00 C ATOM 189 CG ASN A 12 0.354 2.889 -17.813 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.241 2.964 -19.021 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.504 2.938 -17.213 1.00 25.00 N ATOM 0 H ASN A 12 -0.901 3.608 -14.582 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.770 4.948 -17.048 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.592 2.249 -16.027 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.629 2.241 -17.440 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.360 3.043 -17.758 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.552 2.871 -16.196 1.00 25.00 H new ATOM 198 N SER A 13 -3.736 3.744 -16.257 1.00 25.00 N ATOM 199 CA SER A 13 -5.160 3.835 -16.584 1.00 25.00 C ATOM 200 C SER A 13 -5.685 5.247 -16.389 1.00 25.00 C ATOM 201 O SER A 13 -6.532 5.700 -17.153 1.00 25.00 O ATOM 202 CB SER A 13 -5.960 2.869 -15.701 1.00 25.00 C ATOM 203 OG SER A 13 -5.461 1.553 -15.827 1.00 25.00 O ATOM 0 H SER A 13 -3.526 3.202 -15.419 1.00 25.00 H new ATOM 0 HA SER A 13 -5.279 3.566 -17.634 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.903 3.187 -14.660 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.012 2.894 -15.985 1.00 25.00 H new ATOM 0 HG SER A 13 -5.981 0.950 -15.256 1.00 25.00 H new ATOM 209 N GLN A 14 -5.201 5.934 -15.368 1.00 25.00 N ATOM 210 CA GLN A 14 -5.679 7.285 -15.057 1.00 25.00 C ATOM 211 C GLN A 14 -5.205 8.341 -16.056 1.00 25.00 C ATOM 212 O GLN A 14 -5.807 9.395 -16.183 1.00 25.00 O ATOM 213 CB GLN A 14 -5.215 7.697 -13.658 1.00 25.00 C ATOM 214 CG GLN A 14 -5.828 6.890 -12.521 1.00 25.00 C ATOM 215 CD GLN A 14 -7.333 7.047 -12.437 1.00 25.00 C ATOM 216 OE1 GLN A 14 -7.856 8.149 -12.432 1.00 25.00 O ATOM 217 NE2 GLN A 14 -8.036 5.938 -12.415 1.00 25.00 N ATOM 0 H GLN A 14 -4.479 5.586 -14.737 1.00 25.00 H new ATOM 0 HA GLN A 14 -6.767 7.240 -15.113 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.130 7.604 -13.608 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -5.452 8.750 -13.507 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -5.584 5.836 -12.656 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.381 7.202 -11.577 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -7.563 5.034 -12.420 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -9.055 5.980 -12.393 1.00 25.00 H new ATOM 226 N THR A 15 -4.102 8.073 -16.734 1.00 25.00 N ATOM 227 CA THR A 15 -3.480 9.070 -17.603 1.00 25.00 C ATOM 228 C THR A 15 -3.519 8.708 -19.082 1.00 25.00 C ATOM 229 O THR A 15 -3.068 9.494 -19.905 1.00 25.00 O ATOM 230 CB THR A 15 -1.998 9.278 -17.228 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.305 8.029 -17.321 1.00 25.00 O ATOM 232 CG2 THR A 15 -1.842 9.797 -15.806 1.00 25.00 C ATOM 0 H THR A 15 -3.616 7.177 -16.703 1.00 25.00 H new ATOM 0 HA THR A 15 -4.067 9.975 -17.449 1.00 25.00 H new ATOM 0 HB THR A 15 -1.585 10.013 -17.919 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.590 7.442 -16.590 1.00 25.00 H new ATOM 0 HG21 THR A 15 -0.784 9.930 -15.581 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.357 10.753 -15.709 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.274 9.080 -15.108 1.00 25.00 H new ATOM 240 N ALA A 16 -4.040 7.530 -19.420 1.00 25.00 N ATOM 241 CA ALA A 16 -3.986 7.005 -20.795 1.00 25.00 C ATOM 242 C ALA A 16 -4.418 7.995 -21.883 1.00 25.00 C ATOM 243 O ALA A 16 -3.592 8.484 -22.632 1.00 25.00 O ATOM 244 CB ALA A 16 -4.825 5.715 -20.894 1.00 25.00 C ATOM 0 H ALA A 16 -4.510 6.912 -18.758 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.933 6.803 -20.990 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.782 5.330 -21.913 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.427 4.968 -20.207 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.860 5.933 -20.632 1.00 25.00 H new ATOM 250 N VAL A 17 -5.704 8.302 -21.963 1.00 25.00 N ATOM 251 CA VAL A 17 -6.196 9.190 -23.027 1.00 25.00 C ATOM 252 C VAL A 17 -5.729 10.629 -22.792 1.00 25.00 C ATOM 253 O VAL A 17 -5.500 11.382 -23.728 1.00 25.00 O ATOM 254 CB VAL A 17 -7.760 9.102 -23.168 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.491 9.767 -21.984 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.220 9.716 -24.504 1.00 25.00 C ATOM 0 H VAL A 17 -6.420 7.962 -21.322 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.770 8.854 -23.972 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.025 8.045 -23.156 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.568 9.681 -22.127 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.207 9.271 -21.056 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.215 10.820 -21.931 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.305 9.645 -24.582 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.921 10.763 -24.545 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.760 9.174 -25.331 1.00 25.00 H new ATOM 266 N GLN A 18 -5.527 10.978 -21.530 1.00 25.00 N ATOM 267 CA GLN A 18 -5.080 12.322 -21.169 1.00 25.00 C ATOM 268 C GLN A 18 -3.726 12.630 -21.802 1.00 25.00 C ATOM 269 O GLN A 18 -3.526 13.681 -22.407 1.00 25.00 O ATOM 270 CB GLN A 18 -4.970 12.437 -19.642 1.00 25.00 C ATOM 271 CG GLN A 18 -5.921 13.451 -19.026 1.00 25.00 C ATOM 272 CD GLN A 18 -7.367 13.030 -19.146 1.00 25.00 C ATOM 273 OE1 GLN A 18 -8.070 13.449 -20.042 1.00 25.00 O ATOM 274 NE2 GLN A 18 -7.808 12.203 -18.237 1.00 25.00 N ATOM 0 H GLN A 18 -5.665 10.352 -20.737 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.810 13.041 -21.541 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.162 11.459 -19.200 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.947 12.709 -19.382 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -5.671 13.587 -17.974 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.785 14.416 -19.514 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -7.184 11.875 -17.500 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -8.777 11.885 -18.264 1.00 25.00 H new ATOM 283 N PHE A 19 -2.790 11.707 -21.664 1.00 25.00 N ATOM 284 CA PHE A 19 -1.455 11.898 -22.212 1.00 25.00 C ATOM 285 C PHE A 19 -1.427 11.591 -23.701 1.00 25.00 C ATOM 286 O PHE A 19 -0.598 12.124 -24.419 1.00 25.00 O ATOM 287 CB PHE A 19 -0.441 11.022 -21.478 1.00 25.00 C ATOM 288 CG PHE A 19 -0.102 11.490 -20.070 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.486 12.764 -19.589 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.645 10.651 -19.218 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.144 13.178 -18.280 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.992 11.067 -17.904 1.00 25.00 C ATOM 293 CZ PHE A 19 0.599 12.329 -17.436 1.00 25.00 C ATOM 0 H PHE A 19 -2.927 10.820 -21.179 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.184 12.944 -22.071 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.830 10.005 -21.425 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.477 10.982 -22.064 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.047 13.429 -20.229 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.958 9.679 -19.569 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.454 14.150 -17.926 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.560 10.409 -17.264 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.863 12.647 -16.438 1.00 25.00 H new ATOM 303 N GLN A 20 -2.351 10.779 -24.188 1.00 25.00 N ATOM 304 CA GLN A 20 -2.436 10.484 -25.626 1.00 25.00 C ATOM 305 C GLN A 20 -2.703 11.755 -26.441 1.00 25.00 C ATOM 306 O GLN A 20 -2.099 11.956 -27.496 1.00 25.00 O ATOM 307 CB GLN A 20 -3.541 9.456 -25.884 1.00 25.00 C ATOM 308 CG GLN A 20 -3.541 8.886 -27.293 1.00 25.00 C ATOM 309 CD GLN A 20 -4.672 7.899 -27.514 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.874 6.978 -26.738 1.00 25.00 O ATOM 311 NE2 GLN A 20 -5.411 8.089 -28.569 1.00 25.00 N ATOM 0 H GLN A 20 -3.055 10.309 -23.618 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.477 10.074 -25.944 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.434 8.637 -25.172 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.508 9.921 -25.692 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.627 9.701 -28.012 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.588 8.392 -27.483 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -5.214 8.869 -29.196 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -6.187 7.458 -28.768 1.00 25.00 H new ATOM 320 N GLN A 21 -3.554 12.621 -25.924 1.00 25.00 N ATOM 321 CA GLN A 21 -3.848 13.892 -26.597 1.00 25.00 C ATOM 322 C GLN A 21 -2.582 14.723 -26.730 1.00 25.00 C ATOM 323 O GLN A 21 -2.279 15.238 -27.790 1.00 25.00 O ATOM 324 CB GLN A 21 -4.905 14.698 -25.819 1.00 25.00 C ATOM 325 CG GLN A 21 -6.294 14.060 -25.783 1.00 25.00 C ATOM 326 CD GLN A 21 -7.065 14.275 -27.065 1.00 25.00 C ATOM 327 OE1 GLN A 21 -6.834 13.616 -28.071 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.989 15.192 -27.040 1.00 25.00 N ATOM 0 H GLN A 21 -4.055 12.478 -25.047 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.240 13.661 -27.588 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.557 14.836 -24.795 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -4.987 15.690 -26.264 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.194 12.990 -25.598 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.859 14.476 -24.949 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.157 15.724 -26.186 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.545 15.379 -27.875 1.00 25.00 H new ATOM 337 N TYR A 22 -1.823 14.818 -25.655 1.00 25.00 N ATOM 338 CA TYR A 22 -0.562 15.565 -25.678 1.00 25.00 C ATOM 339 C TYR A 22 0.471 14.905 -26.584 1.00 25.00 C ATOM 340 O TYR A 22 1.253 15.580 -27.247 1.00 25.00 O ATOM 341 CB TYR A 22 0.003 15.680 -24.265 1.00 25.00 C ATOM 342 CG TYR A 22 1.332 16.417 -24.242 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.374 17.831 -24.218 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.546 15.712 -24.273 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.621 18.512 -24.211 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.786 16.382 -24.264 1.00 25.00 C ATOM 347 CZ TYR A 22 3.822 17.780 -24.233 1.00 25.00 C ATOM 348 OH TYR A 22 5.022 18.438 -24.244 1.00 25.00 O ATOM 0 H TYR A 22 -2.048 14.393 -24.756 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.777 16.557 -26.075 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.712 16.202 -23.630 1.00 25.00 H new ATOM 0 HB3 TYR A 22 0.134 14.683 -23.845 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.453 18.396 -24.205 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.529 14.633 -24.304 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.647 19.591 -24.189 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.706 15.817 -24.281 1.00 25.00 H new ATOM 0 HH TYR A 22 5.753 17.785 -24.258 1.00 25.00 H new ATOM 358 N ALA A 23 0.488 13.585 -26.607 1.00 25.00 N ATOM 359 CA ALA A 23 1.453 12.861 -27.424 1.00 25.00 C ATOM 360 C ALA A 23 1.211 13.146 -28.898 1.00 25.00 C ATOM 361 O ALA A 23 2.153 13.313 -29.649 1.00 25.00 O ATOM 362 CB ALA A 23 1.363 11.364 -27.140 1.00 25.00 C ATOM 0 H ALA A 23 -0.149 12.993 -26.074 1.00 25.00 H new ATOM 0 HA ALA A 23 2.458 13.199 -27.170 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.088 10.833 -27.756 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.577 11.180 -26.087 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.359 11.009 -27.374 1.00 25.00 H new ATOM 368 N ALA A 24 -0.048 13.245 -29.288 1.00 25.00 N ATOM 369 CA ALA A 24 -0.391 13.577 -30.676 1.00 25.00 C ATOM 370 C ALA A 24 -0.038 15.039 -30.971 1.00 25.00 C ATOM 371 O ALA A 24 0.295 15.386 -32.091 1.00 25.00 O ATOM 372 CB ALA A 24 -1.878 13.317 -30.914 1.00 25.00 C ATOM 0 H ALA A 24 -0.850 13.103 -28.675 1.00 25.00 H new ATOM 0 HA ALA A 24 0.185 12.946 -31.352 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.130 13.564 -31.945 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.098 12.266 -30.729 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.468 13.935 -30.238 1.00 25.00 H new ATOM 378 N GLN A 25 -0.084 15.879 -29.940 1.00 25.00 N ATOM 379 CA GLN A 25 0.291 17.296 -30.056 1.00 25.00 C ATOM 380 C GLN A 25 1.801 17.487 -30.251 1.00 25.00 C ATOM 381 O GLN A 25 2.253 18.557 -30.639 1.00 25.00 O ATOM 382 CB GLN A 25 -0.166 18.036 -28.787 1.00 25.00 C ATOM 383 CG GLN A 25 -0.278 19.554 -28.918 1.00 25.00 C ATOM 384 CD GLN A 25 -0.626 20.214 -27.601 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.474 19.745 -26.856 1.00 25.00 O ATOM 386 NE2 GLN A 25 0.032 21.304 -27.302 1.00 25.00 N ATOM 0 H GLN A 25 -0.380 15.604 -29.003 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.200 17.704 -30.940 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.137 17.642 -28.487 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.533 17.808 -27.982 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.666 19.956 -29.287 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.040 19.799 -29.658 1.00 25.00 H new ATOM 0 HE21 GLN A 25 0.734 21.669 -27.946 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -0.156 21.789 -26.425 1.00 25.00 H new ATOM 395 N GLN A 26 2.576 16.445 -29.961 1.00 25.00 N ATOM 396 CA GLN A 26 4.037 16.483 -30.124 1.00 25.00 C ATOM 397 C GLN A 26 4.510 15.672 -31.331 1.00 25.00 C ATOM 398 O GLN A 26 5.297 16.164 -32.136 1.00 25.00 O ATOM 399 CB GLN A 26 4.712 15.914 -28.872 1.00 25.00 C ATOM 400 CG GLN A 26 4.647 16.823 -27.652 1.00 25.00 C ATOM 401 CD GLN A 26 5.581 18.012 -27.783 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.790 17.864 -27.808 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.022 19.189 -27.889 1.00 25.00 N ATOM 0 H GLN A 26 2.219 15.556 -29.610 1.00 25.00 H new ATOM 0 HA GLN A 26 4.311 17.526 -30.280 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.245 14.961 -28.624 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.758 15.707 -29.100 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.625 17.177 -27.517 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.907 16.253 -26.760 1.00 25.00 H new ATOM 0 HE21 GLN A 26 4.006 19.275 -27.864 1.00 25.00 H new ATOM 0 HE22 GLN A 26 5.602 20.021 -27.997 1.00 25.00 H new ATOM 412 N TYR A 27 4.063 14.428 -31.439 1.00 25.00 N ATOM 413 CA TYR A 27 4.496 13.529 -32.513 1.00 25.00 C ATOM 414 C TYR A 27 3.296 13.047 -33.329 1.00 25.00 C ATOM 415 O TYR A 27 2.899 11.875 -33.238 1.00 25.00 O ATOM 416 CB TYR A 27 5.249 12.318 -31.924 1.00 25.00 C ATOM 417 CG TYR A 27 6.428 12.658 -31.034 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.259 13.769 -31.296 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.735 11.849 -29.906 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.352 14.089 -30.452 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.842 12.159 -29.074 1.00 25.00 C ATOM 422 CZ TYR A 27 8.631 13.280 -29.349 1.00 25.00 C ATOM 423 OH TYR A 27 9.687 13.570 -28.524 1.00 25.00 O ATOM 0 H TYR A 27 3.394 14.011 -30.792 1.00 25.00 H new ATOM 0 HA TYR A 27 5.167 14.081 -33.171 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.544 11.717 -31.351 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.603 11.696 -32.746 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.058 14.388 -32.158 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.120 10.990 -29.680 1.00 25.00 H new ATOM 0 HE1 TYR A 27 8.965 14.953 -30.661 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.075 11.529 -28.228 1.00 25.00 H new ATOM 0 HH TYR A 27 9.734 12.904 -27.807 1.00 25.00 H new ATOM 433 N PRO A 28 2.668 13.948 -34.116 1.00 25.00 N ATOM 434 CA PRO A 28 1.490 13.453 -34.834 1.00 25.00 C ATOM 435 C PRO A 28 1.845 12.433 -35.915 1.00 25.00 C ATOM 436 O PRO A 28 2.862 12.541 -36.574 1.00 25.00 O ATOM 437 CB PRO A 28 0.904 14.727 -35.441 1.00 25.00 C ATOM 438 CG PRO A 28 2.089 15.626 -35.602 1.00 25.00 C ATOM 439 CD PRO A 28 2.905 15.375 -34.387 1.00 25.00 C ATOM 0 HA PRO A 28 0.798 12.919 -34.182 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.420 14.528 -36.397 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.151 15.171 -34.789 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.645 15.393 -36.510 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.789 16.672 -35.671 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.961 15.583 -34.560 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.590 16.002 -33.553 1.00 25.00 H new ATOM 447 N GLY A 29 1.005 11.410 -36.062 1.00 25.00 N ATOM 448 CA GLY A 29 1.251 10.368 -37.043 1.00 25.00 C ATOM 449 C GLY A 29 2.150 9.253 -36.548 1.00 25.00 C ATOM 450 O GLY A 29 2.119 8.149 -37.090 1.00 25.00 O ATOM 0 H GLY A 29 0.153 11.285 -35.515 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.297 9.941 -37.351 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.700 10.817 -37.929 1.00 25.00 H new ATOM 454 N ASN A 30 2.962 9.495 -35.533 1.00 25.00 N ATOM 455 CA ASN A 30 3.920 8.484 -35.085 1.00 25.00 C ATOM 456 C ASN A 30 3.425 7.750 -33.852 1.00 25.00 C ATOM 457 O ASN A 30 3.763 8.117 -32.737 1.00 25.00 O ATOM 458 CB ASN A 30 5.276 9.124 -34.770 1.00 25.00 C ATOM 459 CG ASN A 30 6.043 9.472 -36.016 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.841 10.509 -36.600 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.931 8.597 -36.430 1.00 25.00 N ATOM 0 H ASN A 30 2.982 10.368 -35.006 1.00 25.00 H new ATOM 0 HA ASN A 30 4.030 7.768 -35.900 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.121 10.025 -34.177 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.866 8.439 -34.161 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.477 8.784 -37.271 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.074 7.731 -35.910 1.00 25.00 H new ATOM 468 N TYR A 31 2.637 6.704 -34.062 1.00 25.00 N ATOM 469 CA TYR A 31 2.068 5.933 -32.948 1.00 25.00 C ATOM 470 C TYR A 31 3.145 5.430 -31.992 1.00 25.00 C ATOM 471 O TYR A 31 3.017 5.583 -30.787 1.00 25.00 O ATOM 472 CB TYR A 31 1.275 4.728 -33.473 1.00 25.00 C ATOM 473 CG TYR A 31 0.829 3.808 -32.359 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.316 4.104 -31.599 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.559 2.632 -32.057 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.733 3.248 -30.546 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.152 1.775 -31.010 1.00 25.00 C ATOM 478 CZ TYR A 31 0.011 2.096 -30.259 1.00 25.00 C ATOM 479 OH TYR A 31 -0.381 1.269 -29.239 1.00 25.00 O ATOM 0 H TYR A 31 2.374 6.365 -34.987 1.00 25.00 H new ATOM 0 HA TYR A 31 1.407 6.609 -32.406 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.402 5.081 -34.022 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.890 4.170 -34.178 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.886 4.995 -31.819 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.438 2.387 -32.635 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.616 3.483 -29.971 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.715 0.880 -30.789 1.00 25.00 H new ATOM 0 HH TYR A 31 0.241 0.515 -29.172 1.00 25.00 H new ATOM 489 N GLU A 32 4.210 4.853 -32.518 1.00 25.00 N ATOM 490 CA GLU A 32 5.274 4.331 -31.673 1.00 25.00 C ATOM 491 C GLU A 32 5.898 5.434 -30.792 1.00 25.00 C ATOM 492 O GLU A 32 6.071 5.246 -29.595 1.00 25.00 O ATOM 493 CB GLU A 32 6.340 3.650 -32.535 1.00 25.00 C ATOM 494 CG GLU A 32 6.907 4.508 -33.668 1.00 25.00 C ATOM 495 CD GLU A 32 7.873 3.755 -34.542 1.00 25.00 C ATOM 496 OE1 GLU A 32 7.494 2.694 -35.073 1.00 25.00 O ATOM 497 OE2 GLU A 32 9.009 4.243 -34.731 1.00 25.00 O ATOM 0 H GLU A 32 4.363 4.733 -33.519 1.00 25.00 H new ATOM 0 HA GLU A 32 4.839 3.592 -31.000 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.162 3.339 -31.890 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.912 2.744 -32.965 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.086 4.882 -34.280 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.410 5.377 -33.243 1.00 25.00 H new ATOM 504 N GLN A 33 6.203 6.590 -31.370 1.00 25.00 N ATOM 505 CA GLN A 33 6.840 7.670 -30.622 1.00 25.00 C ATOM 506 C GLN A 33 5.879 8.271 -29.621 1.00 25.00 C ATOM 507 O GLN A 33 6.271 8.652 -28.523 1.00 25.00 O ATOM 508 CB GLN A 33 7.320 8.766 -31.552 1.00 25.00 C ATOM 509 CG GLN A 33 8.463 8.324 -32.453 1.00 25.00 C ATOM 510 CD GLN A 33 8.866 9.384 -33.453 1.00 25.00 C ATOM 511 OE1 GLN A 33 8.372 10.492 -33.433 1.00 25.00 O ATOM 512 NE2 GLN A 33 9.746 9.034 -34.350 1.00 25.00 N ATOM 0 H GLN A 33 6.021 6.804 -32.350 1.00 25.00 H new ATOM 0 HA GLN A 33 7.693 7.240 -30.098 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.487 9.101 -32.170 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.642 9.622 -30.959 1.00 25.00 H new ATOM 0 HG2 GLN A 33 9.325 8.065 -31.838 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.170 7.420 -32.987 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.141 8.094 -34.337 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.039 9.701 -35.064 1.00 25.00 H new ATOM 521 N GLN A 34 4.607 8.295 -29.979 1.00 25.00 N ATOM 522 CA GLN A 34 3.576 8.751 -29.054 1.00 25.00 C ATOM 523 C GLN A 34 3.580 7.856 -27.816 1.00 25.00 C ATOM 524 O GLN A 34 3.406 8.341 -26.712 1.00 25.00 O ATOM 525 CB GLN A 34 2.194 8.710 -29.711 1.00 25.00 C ATOM 526 CG GLN A 34 1.921 9.860 -30.662 1.00 25.00 C ATOM 527 CD GLN A 34 0.663 9.647 -31.468 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.173 8.837 -31.115 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.537 10.346 -32.555 1.00 25.00 N ATOM 0 H GLN A 34 4.262 8.007 -30.895 1.00 25.00 H new ATOM 0 HA GLN A 34 3.791 9.782 -28.772 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.091 7.771 -30.255 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.433 8.711 -28.930 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.834 10.786 -30.094 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.768 9.979 -31.338 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.260 11.016 -32.817 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.285 10.225 -33.146 1.00 25.00 H new ATOM 538 N GLN A 35 3.807 6.562 -27.989 1.00 25.00 N ATOM 539 CA GLN A 35 3.801 5.622 -26.865 1.00 25.00 C ATOM 540 C GLN A 35 5.041 5.826 -25.994 1.00 25.00 C ATOM 541 O GLN A 35 4.964 5.778 -24.764 1.00 25.00 O ATOM 542 CB GLN A 35 3.750 4.160 -27.347 1.00 25.00 C ATOM 543 CG GLN A 35 2.441 3.754 -28.038 1.00 25.00 C ATOM 544 CD GLN A 35 1.263 3.747 -27.099 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.247 3.043 -26.107 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.270 4.535 -27.404 1.00 25.00 N ATOM 0 H GLN A 35 3.998 6.134 -28.895 1.00 25.00 H new ATOM 0 HA GLN A 35 2.904 5.822 -26.279 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.576 3.991 -28.038 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.911 3.504 -26.491 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.241 4.442 -28.860 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.558 2.762 -28.474 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.316 5.112 -28.244 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.553 4.574 -26.803 1.00 25.00 H new ATOM 555 N ILE A 36 6.177 6.079 -26.618 1.00 25.00 N ATOM 556 CA ILE A 36 7.427 6.324 -25.898 1.00 25.00 C ATOM 557 C ILE A 36 7.279 7.594 -25.055 1.00 25.00 C ATOM 558 O ILE A 36 7.686 7.644 -23.883 1.00 25.00 O ATOM 559 CB ILE A 36 8.601 6.514 -26.896 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.810 5.223 -27.709 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.911 6.893 -26.151 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.676 5.408 -28.963 1.00 25.00 C ATOM 0 H ILE A 36 6.266 6.122 -27.633 1.00 25.00 H new ATOM 0 HA ILE A 36 7.640 5.467 -25.259 1.00 25.00 H new ATOM 0 HB ILE A 36 8.348 7.330 -27.573 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.273 4.473 -27.068 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.837 4.832 -28.006 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.717 7.020 -26.874 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.763 7.825 -25.605 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.174 6.100 -25.450 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.776 4.454 -29.480 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.205 6.133 -29.627 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.663 5.769 -28.674 1.00 25.00 H new ATOM 574 N LEU A 37 6.670 8.609 -25.647 1.00 25.00 N ATOM 575 CA LEU A 37 6.455 9.866 -24.955 1.00 25.00 C ATOM 576 C LEU A 37 5.526 9.678 -23.763 1.00 25.00 C ATOM 577 O LEU A 37 5.841 10.096 -22.667 1.00 25.00 O ATOM 578 CB LEU A 37 5.874 10.901 -25.919 1.00 25.00 C ATOM 579 CG LEU A 37 5.603 12.301 -25.362 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.833 12.921 -24.701 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.122 13.172 -26.509 1.00 25.00 C ATOM 0 H LEU A 37 6.317 8.586 -26.604 1.00 25.00 H new ATOM 0 HA LEU A 37 7.416 10.223 -24.584 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.558 10.999 -26.762 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.937 10.507 -26.313 1.00 25.00 H new ATOM 0 HG LEU A 37 4.846 12.227 -24.581 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.583 13.913 -24.324 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.158 12.290 -23.874 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.637 13.003 -25.433 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.920 14.178 -26.142 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.891 13.215 -27.281 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.209 12.749 -26.929 1.00 25.00 H new ATOM 593 N ILE A 38 4.401 9.000 -23.966 1.00 25.00 N ATOM 594 CA ILE A 38 3.460 8.726 -22.871 1.00 25.00 C ATOM 595 C ILE A 38 4.154 7.985 -21.731 1.00 25.00 C ATOM 596 O ILE A 38 3.919 8.292 -20.560 1.00 25.00 O ATOM 597 CB ILE A 38 2.219 7.932 -23.400 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.381 8.855 -24.299 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.338 7.413 -22.234 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.452 8.145 -25.249 1.00 25.00 C ATOM 0 H ILE A 38 4.114 8.629 -24.872 1.00 25.00 H new ATOM 0 HA ILE A 38 3.104 9.677 -22.474 1.00 25.00 H new ATOM 0 HB ILE A 38 2.576 7.070 -23.963 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.792 9.518 -23.665 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.056 9.485 -24.878 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.486 6.866 -22.637 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.927 6.750 -21.600 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.981 8.257 -21.644 1.00 25.00 H new ATOM 0 HD11 ILE A 38 -0.095 8.880 -25.840 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.031 7.504 -25.913 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.253 7.537 -24.682 1.00 25.00 H new ATOM 612 N ARG A 39 5.070 7.071 -22.047 1.00 25.00 N ATOM 613 CA ARG A 39 5.817 6.357 -21.001 1.00 25.00 C ATOM 614 C ARG A 39 6.592 7.396 -20.165 1.00 25.00 C ATOM 615 O ARG A 39 6.546 7.377 -18.935 1.00 25.00 O ATOM 616 CB ARG A 39 6.766 5.322 -21.657 1.00 25.00 C ATOM 617 CG ARG A 39 7.292 4.215 -20.734 1.00 25.00 C ATOM 618 CD ARG A 39 8.278 4.761 -19.693 1.00 25.00 C ATOM 619 NE ARG A 39 9.060 3.699 -19.046 1.00 25.00 N ATOM 620 CZ ARG A 39 8.642 2.955 -18.026 1.00 25.00 C ATOM 621 NH1 ARG A 39 7.438 3.073 -17.510 1.00 25.00 N ATOM 622 NH2 ARG A 39 9.465 2.085 -17.511 1.00 25.00 N ATOM 0 H ARG A 39 5.314 6.807 -23.002 1.00 25.00 H new ATOM 0 HA ARG A 39 5.142 5.811 -20.342 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.242 4.855 -22.491 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.620 5.855 -22.076 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.454 3.737 -20.226 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.783 3.447 -21.331 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.957 5.465 -20.175 1.00 25.00 H new ATOM 0 HD3 ARG A 39 7.728 5.317 -18.933 1.00 25.00 H new ATOM 0 HE ARG A 39 9.997 3.518 -19.407 1.00 25.00 H new ATOM 0 HH11 ARG A 39 6.784 3.756 -17.892 1.00 25.00 H new ATOM 0 HH12 ARG A 39 7.158 2.482 -16.727 1.00 25.00 H new ATOM 0 HH21 ARG A 39 10.406 1.987 -17.891 1.00 25.00 H new ATOM 0 HH22 ARG A 39 9.167 1.503 -16.728 1.00 25.00 H new ATOM 636 N GLN A 40 7.274 8.308 -20.841 1.00 25.00 N ATOM 637 CA GLN A 40 8.057 9.353 -20.163 1.00 25.00 C ATOM 638 C GLN A 40 7.150 10.271 -19.339 1.00 25.00 C ATOM 639 O GLN A 40 7.487 10.634 -18.211 1.00 25.00 O ATOM 640 CB GLN A 40 8.836 10.182 -21.197 1.00 25.00 C ATOM 641 CG GLN A 40 9.856 11.148 -20.585 1.00 25.00 C ATOM 642 CD GLN A 40 10.535 11.991 -21.642 1.00 25.00 C ATOM 643 OE1 GLN A 40 9.894 12.771 -22.326 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.834 11.846 -21.772 1.00 25.00 N ATOM 0 H GLN A 40 7.307 8.353 -21.859 1.00 25.00 H new ATOM 0 HA GLN A 40 8.759 8.866 -19.486 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.355 9.504 -21.874 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.127 10.752 -21.798 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.356 11.798 -19.867 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.607 10.582 -20.033 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.335 11.183 -21.181 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.342 12.397 -22.464 1.00 25.00 H new ATOM 653 N LEU A 41 5.988 10.620 -19.874 1.00 25.00 N ATOM 654 CA LEU A 41 5.045 11.493 -19.174 1.00 25.00 C ATOM 655 C LEU A 41 4.544 10.829 -17.890 1.00 25.00 C ATOM 656 O LEU A 41 4.399 11.488 -16.866 1.00 25.00 O ATOM 657 CB LEU A 41 3.846 11.831 -20.085 1.00 25.00 C ATOM 658 CG LEU A 41 4.120 12.576 -21.401 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.856 12.616 -22.235 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.642 13.975 -21.185 1.00 25.00 C ATOM 0 H LEU A 41 5.672 10.313 -20.794 1.00 25.00 H new ATOM 0 HA LEU A 41 5.567 12.414 -18.914 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.341 10.897 -20.330 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.145 12.429 -19.504 1.00 25.00 H new ATOM 0 HG LEU A 41 4.901 12.027 -21.927 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.052 13.145 -23.168 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.533 11.599 -22.456 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.072 13.134 -21.683 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.817 14.451 -22.150 1.00 25.00 H new ATOM 0 HD22 LEU A 41 3.910 14.554 -20.622 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.577 13.932 -20.627 1.00 25.00 H new ATOM 672 N GLN A 42 4.341 9.526 -17.927 1.00 25.00 N ATOM 673 CA GLN A 42 3.900 8.778 -16.752 1.00 25.00 C ATOM 674 C GLN A 42 5.012 8.707 -15.701 1.00 25.00 C ATOM 675 O GLN A 42 4.743 8.782 -14.502 1.00 25.00 O ATOM 676 CB GLN A 42 3.472 7.374 -17.166 1.00 25.00 C ATOM 677 CG GLN A 42 2.181 7.373 -17.961 1.00 25.00 C ATOM 678 CD GLN A 42 1.913 6.048 -18.625 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.778 5.186 -18.693 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.716 5.879 -19.111 1.00 25.00 N ATOM 0 H GLN A 42 4.474 8.955 -18.762 1.00 25.00 H new ATOM 0 HA GLN A 42 3.050 9.296 -16.309 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.262 6.917 -17.762 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.347 6.758 -16.275 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.350 7.619 -17.299 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.225 8.154 -18.720 1.00 25.00 H new ATOM 0 HE21 GLN A 42 0.024 6.624 -19.033 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.471 5.001 -19.570 1.00 25.00 H new ATOM 689 N GLU A 43 6.254 8.594 -16.136 1.00 25.00 N ATOM 690 CA GLU A 43 7.386 8.564 -15.208 1.00 25.00 C ATOM 691 C GLU A 43 7.563 9.938 -14.547 1.00 25.00 C ATOM 692 O GLU A 43 7.855 10.018 -13.344 1.00 25.00 O ATOM 693 CB GLU A 43 8.665 8.124 -15.932 1.00 25.00 C ATOM 694 CG GLU A 43 8.649 6.636 -16.247 1.00 25.00 C ATOM 695 CD GLU A 43 9.919 6.157 -16.945 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.367 6.820 -17.905 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.414 5.056 -16.592 1.00 25.00 O ATOM 0 H GLU A 43 6.511 8.521 -17.120 1.00 25.00 H new ATOM 0 HA GLU A 43 7.182 7.834 -14.424 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.773 8.691 -16.857 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.532 8.356 -15.313 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.518 6.076 -15.321 1.00 25.00 H new ATOM 0 HG3 GLU A 43 7.789 6.414 -16.879 1.00 25.00 H new ATOM 704 N GLN A 44 7.307 11.004 -15.286 1.00 25.00 N ATOM 705 CA GLN A 44 7.338 12.351 -14.715 1.00 25.00 C ATOM 706 C GLN A 44 6.174 12.522 -13.735 1.00 25.00 C ATOM 707 O GLN A 44 6.357 13.027 -12.622 1.00 25.00 O ATOM 708 CB GLN A 44 7.245 13.395 -15.831 1.00 25.00 C ATOM 709 CG GLN A 44 7.502 14.842 -15.389 1.00 25.00 C ATOM 710 CD GLN A 44 6.343 15.455 -14.636 1.00 25.00 C ATOM 711 OE1 GLN A 44 5.190 15.256 -14.990 1.00 25.00 O ATOM 712 NE2 GLN A 44 6.642 16.209 -13.609 1.00 25.00 N ATOM 0 H GLN A 44 7.076 10.970 -16.279 1.00 25.00 H new ATOM 0 HA GLN A 44 8.277 12.493 -14.181 1.00 25.00 H new ATOM 0 HB2 GLN A 44 7.962 13.136 -16.610 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.253 13.339 -16.279 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.390 14.869 -14.758 1.00 25.00 H new ATOM 0 HG3 GLN A 44 7.717 15.450 -16.268 1.00 25.00 H new ATOM 0 HE21 GLN A 44 7.618 16.350 -13.346 1.00 25.00 H new ATOM 0 HE22 GLN A 44 5.900 16.656 -13.071 1.00 25.00 H new ATOM 721 N HIS A 45 4.997 12.068 -14.140 1.00 25.00 N ATOM 722 CA HIS A 45 3.786 12.166 -13.323 1.00 25.00 C ATOM 723 C HIS A 45 3.942 11.446 -11.995 1.00 25.00 C ATOM 724 O HIS A 45 3.398 11.874 -10.972 1.00 25.00 O ATOM 725 CB HIS A 45 2.608 11.566 -14.093 1.00 25.00 C ATOM 726 CG HIS A 45 1.296 11.696 -13.379 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.473 12.778 -13.499 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.671 10.869 -12.491 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.596 12.575 -12.730 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.528 11.422 -12.096 1.00 25.00 N ATOM 0 H HIS A 45 4.850 11.620 -15.044 1.00 25.00 H new ATOM 0 HA HIS A 45 3.605 13.220 -13.112 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.533 12.054 -15.065 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.807 10.511 -14.281 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.059 9.921 -12.148 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.417 13.270 -12.638 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.213 11.025 -11.453 1.00 25.00 H new ATOM 738 N TYR A 46 4.734 10.380 -11.989 1.00 25.00 N ATOM 739 CA TYR A 46 5.007 9.626 -10.771 1.00 25.00 C ATOM 740 C TYR A 46 5.618 10.513 -9.684 1.00 25.00 C ATOM 741 O TYR A 46 5.326 10.329 -8.500 1.00 25.00 O ATOM 742 CB TYR A 46 5.970 8.478 -11.073 1.00 25.00 C ATOM 743 CG TYR A 46 6.018 7.417 -9.996 1.00 25.00 C ATOM 744 CD1 TYR A 46 5.036 6.419 -9.936 1.00 25.00 C ATOM 745 CD2 TYR A 46 7.047 7.400 -9.038 1.00 25.00 C ATOM 746 CE1 TYR A 46 5.079 5.403 -8.954 1.00 25.00 C ATOM 747 CE2 TYR A 46 7.095 6.382 -8.038 1.00 25.00 C ATOM 748 CZ TYR A 46 6.102 5.397 -8.016 1.00 25.00 C ATOM 749 OH TYR A 46 6.123 4.401 -7.068 1.00 25.00 O ATOM 0 H TYR A 46 5.201 10.017 -12.820 1.00 25.00 H new ATOM 0 HA TYR A 46 4.057 9.236 -10.407 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.680 8.012 -12.015 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.972 8.885 -11.213 1.00 25.00 H new ATOM 0 HD1 TYR A 46 4.230 6.426 -10.655 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.809 8.165 -9.059 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.320 4.635 -8.934 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.889 6.373 -7.306 1.00 25.00 H new ATOM 0 HH TYR A 46 5.718 3.589 -7.438 1.00 25.00 H new ATOM 759 N GLN A 47 6.438 11.476 -10.075 1.00 25.00 N ATOM 760 CA GLN A 47 7.070 12.374 -9.104 1.00 25.00 C ATOM 761 C GLN A 47 5.995 13.222 -8.429 1.00 25.00 C ATOM 762 O GLN A 47 5.996 13.383 -7.210 1.00 25.00 O ATOM 763 CB GLN A 47 8.087 13.301 -9.774 1.00 25.00 C ATOM 764 CG GLN A 47 9.220 12.580 -10.482 1.00 25.00 C ATOM 765 CD GLN A 47 10.225 13.553 -11.061 1.00 25.00 C ATOM 766 OE1 GLN A 47 9.878 14.421 -11.842 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.460 13.424 -10.665 1.00 25.00 N ATOM 0 H GLN A 47 6.684 11.660 -11.048 1.00 25.00 H new ATOM 0 HA GLN A 47 7.595 11.762 -8.370 1.00 25.00 H new ATOM 0 HB2 GLN A 47 7.566 13.931 -10.495 1.00 25.00 H new ATOM 0 HB3 GLN A 47 8.510 13.963 -9.019 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.721 11.912 -9.781 1.00 25.00 H new ATOM 0 HG3 GLN A 47 8.814 11.958 -11.280 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.711 12.684 -10.010 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.176 14.063 -11.010 1.00 25.00 H new ATOM 776 N GLN A 48 5.066 13.739 -9.215 1.00 25.00 N ATOM 777 CA GLN A 48 3.967 14.555 -8.686 1.00 25.00 C ATOM 778 C GLN A 48 3.054 13.713 -7.805 1.00 25.00 C ATOM 779 O GLN A 48 2.644 14.138 -6.739 1.00 25.00 O ATOM 780 CB GLN A 48 3.161 15.181 -9.835 1.00 25.00 C ATOM 781 CG GLN A 48 2.073 16.143 -9.355 1.00 25.00 C ATOM 782 CD GLN A 48 1.306 16.780 -10.503 1.00 25.00 C ATOM 783 OE1 GLN A 48 1.657 17.837 -10.986 1.00 25.00 O ATOM 784 NE2 GLN A 48 0.265 16.125 -10.942 1.00 25.00 N ATOM 0 H GLN A 48 5.044 13.612 -10.227 1.00 25.00 H new ATOM 0 HA GLN A 48 4.395 15.355 -8.082 1.00 25.00 H new ATOM 0 HB2 GLN A 48 3.841 15.715 -10.499 1.00 25.00 H new ATOM 0 HB3 GLN A 48 2.701 14.386 -10.422 1.00 25.00 H new ATOM 0 HG2 GLN A 48 1.376 15.606 -8.712 1.00 25.00 H new ATOM 0 HG3 GLN A 48 2.528 16.926 -8.748 1.00 25.00 H new ATOM 0 HE21 GLN A 48 0.001 15.239 -10.511 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -0.284 16.499 -11.716 1.00 25.00 H new ATOM 793 N TYR A 49 2.774 12.497 -8.240 1.00 25.00 N ATOM 794 CA TYR A 49 1.937 11.588 -7.464 1.00 25.00 C ATOM 795 C TYR A 49 2.588 11.258 -6.114 1.00 25.00 C ATOM 796 O TYR A 49 1.919 11.239 -5.086 1.00 25.00 O ATOM 797 CB TYR A 49 1.647 10.323 -8.271 1.00 25.00 C ATOM 798 CG TYR A 49 0.480 9.535 -7.701 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.838 10.035 -7.787 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.679 8.289 -7.066 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.929 9.307 -7.254 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.421 7.561 -6.533 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.712 8.083 -6.630 1.00 25.00 C ATOM 804 OH TYR A 49 -2.783 7.396 -6.124 1.00 25.00 O ATOM 0 H TYR A 49 3.111 12.114 -9.123 1.00 25.00 H new ATOM 0 HA TYR A 49 0.988 12.081 -7.252 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.430 10.595 -9.304 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.536 9.692 -8.287 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -1.016 10.986 -8.266 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.677 7.885 -6.984 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.931 9.703 -7.332 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.258 6.607 -6.054 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.473 6.559 -5.720 1.00 25.00 H new ATOM 814 N MET A 50 3.898 11.056 -6.109 1.00 25.00 N ATOM 815 CA MET A 50 4.607 10.775 -4.865 1.00 25.00 C ATOM 816 C MET A 50 4.609 11.973 -3.932 1.00 25.00 C ATOM 817 O MET A 50 4.449 11.831 -2.723 1.00 25.00 O ATOM 818 CB MET A 50 6.045 10.337 -5.160 1.00 25.00 C ATOM 819 CG MET A 50 6.574 9.344 -4.138 1.00 25.00 C ATOM 820 SD MET A 50 6.651 7.649 -4.794 1.00 25.00 S ATOM 821 CE MET A 50 4.916 7.272 -5.138 1.00 25.00 C ATOM 0 H MET A 50 4.487 11.080 -6.941 1.00 25.00 H new ATOM 0 HA MET A 50 4.078 9.965 -4.363 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.088 9.889 -6.153 1.00 25.00 H new ATOM 0 HB3 MET A 50 6.692 11.214 -5.178 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.569 9.652 -3.817 1.00 25.00 H new ATOM 0 HG3 MET A 50 5.935 9.360 -3.255 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.834 6.257 -5.526 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.336 7.357 -4.219 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.531 7.975 -5.877 1.00 25.00 H new