USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=8 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 -106:sc= 0.126 USER MOD Set 1.2: A 50 MET CE :methyl -168:sc= 0 (180deg=-0.00398) USER MOD Set 2.1: A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Set 2.2: A 48 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Set 3.1: A 44 GLN : amide:sc= 0.0254 K(o=0.93,f=-0.42) USER MOD Set 3.2: A 47 GLN : amide:sc= 0.907 K(o=0.93,f=-0.42) USER MOD Set 4.1: A 20 GLN : amide:sc= 0.526 K(o=1.9,f=0.59) USER MOD Set 4.2: A 34 GLN : amide:sc= 1.49 K(o=1.9,f=-0.38) USER MOD Set 4.3: A 35 GLN : amide:sc= -0.0957 X(o=1.9,f=1.8) USER MOD Set 5.1: A 12 ASN : amide:sc= 0.488 K(o=1.8,f=-0.075) USER MOD Set 5.2: A 15 THR OG1 : rot -67:sc= 1.04 USER MOD Set 5.3: A 42 GLN : amide:sc= 0.272 K(o=1.8,f=0.022) 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 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 21 GLN : amide:sc= -0.0455 X(o=-0.046,f=-0.046) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.011) 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=-1.5!) USER MOD Single : A 40 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 4.786 -1.594 -6.835 1.00 25.00 N ATOM 54 CA LYS A 4 5.077 -0.356 -7.576 1.00 25.00 C ATOM 55 C LYS A 4 4.423 -0.300 -8.956 1.00 25.00 C ATOM 56 O LYS A 4 3.873 0.715 -9.343 1.00 25.00 O ATOM 57 CB LYS A 4 6.581 -0.184 -7.756 1.00 25.00 C ATOM 58 CG LYS A 4 7.351 0.108 -6.454 1.00 25.00 C ATOM 59 CD LYS A 4 8.854 0.281 -6.770 1.00 25.00 C ATOM 60 CE LYS A 4 9.709 0.588 -5.525 1.00 25.00 C ATOM 61 NZ LYS A 4 9.434 1.961 -4.970 1.00 25.00 N ATOM 0 HA LYS A 4 4.657 0.449 -6.973 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.986 -1.090 -8.207 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.759 0.630 -8.459 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.961 1.011 -5.984 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.209 -0.708 -5.745 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.226 -0.629 -7.242 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.975 1.088 -7.493 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.510 -0.159 -4.757 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.765 0.507 -5.783 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.031 2.124 -4.134 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 9.648 2.677 -5.693 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 8.432 2.032 -4.699 1.00 25.00 H new ATOM 75 N GLN A 5 4.487 -1.386 -9.707 1.00 25.00 N ATOM 76 CA GLN A 5 3.947 -1.386 -11.054 1.00 25.00 C ATOM 77 C GLN A 5 2.416 -1.387 -11.072 1.00 25.00 C ATOM 78 O GLN A 5 1.832 -0.911 -12.024 1.00 25.00 O ATOM 79 CB GLN A 5 4.527 -2.558 -11.856 1.00 25.00 C ATOM 80 CG GLN A 5 6.038 -2.435 -12.086 1.00 25.00 C ATOM 81 CD GLN A 5 6.573 -3.511 -12.981 1.00 25.00 C ATOM 82 OE1 GLN A 5 6.890 -4.586 -12.544 1.00 25.00 O ATOM 83 NE2 GLN A 5 6.710 -3.202 -14.230 1.00 25.00 N ATOM 0 H GLN A 5 4.903 -2.269 -9.411 1.00 25.00 H new ATOM 0 HA GLN A 5 4.251 -0.455 -11.533 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.320 -3.490 -11.330 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.022 -2.617 -12.820 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.257 -1.461 -12.523 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.553 -2.476 -11.126 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.429 -2.279 -14.561 1.00 25.00 H new ATOM 0 HE22 GLN A 5 7.099 -3.881 -14.884 1.00 25.00 H new ATOM 92 N GLN A 6 1.762 -1.852 -10.010 1.00 25.00 N ATOM 93 CA GLN A 6 0.295 -1.800 -9.942 1.00 25.00 C ATOM 94 C GLN A 6 -0.155 -0.346 -9.875 1.00 25.00 C ATOM 95 O GLN A 6 -1.145 0.039 -10.468 1.00 25.00 O ATOM 96 CB GLN A 6 -0.213 -2.521 -8.693 1.00 25.00 C ATOM 97 CG GLN A 6 -0.018 -4.030 -8.720 1.00 25.00 C ATOM 98 CD GLN A 6 -1.315 -4.777 -8.466 1.00 25.00 C ATOM 99 OE1 GLN A 6 -2.225 -4.754 -9.279 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.401 -5.428 -7.339 1.00 25.00 N ATOM 0 H GLN A 6 2.212 -2.264 -9.193 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.109 -2.287 -10.829 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.299 -2.116 -7.820 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.274 -2.305 -8.569 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.387 -4.326 -9.688 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.717 -4.314 -7.967 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.618 -5.423 -6.686 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -2.252 -5.943 -7.111 1.00 25.00 H new ATOM 109 N ILE A 7 0.620 0.463 -9.167 1.00 25.00 N ATOM 110 CA ILE A 7 0.306 1.885 -9.035 1.00 25.00 C ATOM 111 C ILE A 7 0.448 2.534 -10.405 1.00 25.00 C ATOM 112 O ILE A 7 -0.395 3.321 -10.818 1.00 25.00 O ATOM 113 CB ILE A 7 1.255 2.572 -8.014 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.147 1.887 -6.633 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.938 4.079 -7.887 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.370 2.096 -5.735 1.00 25.00 C ATOM 0 H ILE A 7 1.464 0.166 -8.678 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.713 2.001 -8.666 1.00 25.00 H new ATOM 0 HB ILE A 7 2.276 2.468 -8.382 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.263 2.266 -6.119 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.996 0.818 -6.780 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.617 4.534 -7.166 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.063 4.560 -8.857 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.090 4.207 -7.548 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.216 1.584 -4.785 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.255 1.691 -6.226 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.511 3.162 -5.554 1.00 25.00 H new ATOM 128 N MET A 8 1.496 2.195 -11.142 1.00 25.00 N ATOM 129 CA MET A 8 1.694 2.769 -12.469 1.00 25.00 C ATOM 130 C MET A 8 0.627 2.293 -13.461 1.00 25.00 C ATOM 131 O MET A 8 0.241 3.022 -14.355 1.00 25.00 O ATOM 132 CB MET A 8 3.090 2.451 -13.004 1.00 25.00 C ATOM 133 CG MET A 8 4.203 3.045 -12.147 1.00 25.00 C ATOM 134 SD MET A 8 5.819 2.906 -12.918 1.00 25.00 S ATOM 135 CE MET A 8 5.870 4.406 -13.893 1.00 25.00 C ATOM 0 H MET A 8 2.216 1.534 -10.850 1.00 25.00 H new ATOM 0 HA MET A 8 1.597 3.850 -12.365 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.216 1.370 -13.056 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.179 2.832 -14.021 1.00 25.00 H new ATOM 0 HG2 MET A 8 3.986 4.096 -11.954 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.221 2.540 -11.181 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.817 4.459 -14.430 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.047 4.403 -14.608 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.777 5.271 -13.236 1.00 25.00 H new ATOM 145 N ALA A 9 0.099 1.093 -13.255 1.00 25.00 N ATOM 146 CA ALA A 9 -0.968 0.573 -14.110 1.00 25.00 C ATOM 147 C ALA A 9 -2.252 1.368 -13.859 1.00 25.00 C ATOM 148 O ALA A 9 -3.002 1.680 -14.782 1.00 25.00 O ATOM 149 CB ALA A 9 -1.192 -0.918 -13.847 1.00 25.00 C ATOM 0 H ALA A 9 0.388 0.462 -12.508 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.678 0.686 -15.155 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.989 -1.286 -14.493 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.274 -1.466 -14.057 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.473 -1.065 -12.804 1.00 25.00 H new ATOM 155 N ALA A 10 -2.489 1.704 -12.605 1.00 25.00 N ATOM 156 CA ALA A 10 -3.661 2.499 -12.235 1.00 25.00 C ATOM 157 C ALA A 10 -3.567 3.909 -12.831 1.00 25.00 C ATOM 158 O ALA A 10 -4.536 4.425 -13.402 1.00 25.00 O ATOM 159 CB ALA A 10 -3.777 2.564 -10.689 1.00 25.00 C ATOM 0 H ALA A 10 -1.891 1.443 -11.821 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.555 2.024 -12.638 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.650 3.156 -10.414 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.882 1.555 -10.289 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.880 3.026 -10.276 1.00 25.00 H new ATOM 165 N LEU A 11 -2.384 4.506 -12.750 1.00 25.00 N ATOM 166 CA LEU A 11 -2.170 5.846 -13.331 1.00 25.00 C ATOM 167 C LEU A 11 -2.321 5.802 -14.839 1.00 25.00 C ATOM 168 O LEU A 11 -2.799 6.744 -15.457 1.00 25.00 O ATOM 169 CB LEU A 11 -0.769 6.364 -12.981 1.00 25.00 C ATOM 170 CG LEU A 11 -0.494 6.699 -11.497 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.958 7.088 -11.338 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.370 7.824 -10.980 1.00 25.00 C ATOM 0 H LEU A 11 -1.565 4.100 -12.298 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.920 6.518 -12.913 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.042 5.617 -13.300 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.583 7.261 -13.571 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.727 5.809 -10.913 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.159 7.326 -10.293 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.593 6.259 -11.650 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.171 7.960 -11.956 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.134 8.017 -9.933 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.188 8.725 -11.565 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.418 7.539 -11.069 1.00 25.00 H new ATOM 184 N ASN A 12 -1.931 4.686 -15.437 1.00 25.00 N ATOM 185 CA ASN A 12 -2.042 4.521 -16.881 1.00 25.00 C ATOM 186 C ASN A 12 -3.503 4.576 -17.311 1.00 25.00 C ATOM 187 O ASN A 12 -3.833 5.183 -18.321 1.00 25.00 O ATOM 188 CB ASN A 12 -1.449 3.179 -17.316 1.00 25.00 C ATOM 189 CG ASN A 12 -0.180 3.332 -18.083 1.00 25.00 C ATOM 190 OD1 ASN A 12 -0.194 3.571 -19.266 1.00 25.00 O ATOM 191 ND2 ASN A 12 0.929 3.211 -17.413 1.00 25.00 N ATOM 0 H ASN A 12 -1.536 3.883 -14.948 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.490 5.333 -17.354 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.264 2.565 -16.434 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -2.177 2.646 -17.928 1.00 25.00 H new ATOM 0 HD21 ASN A 12 1.826 3.319 -17.887 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.902 3.009 -16.414 1.00 25.00 H new ATOM 198 N SER A 13 -4.376 3.956 -16.531 1.00 25.00 N ATOM 199 CA SER A 13 -5.804 3.958 -16.849 1.00 25.00 C ATOM 200 C SER A 13 -6.367 5.381 -16.733 1.00 25.00 C ATOM 201 O SER A 13 -7.134 5.826 -17.589 1.00 25.00 O ATOM 202 CB SER A 13 -6.555 3.020 -15.917 1.00 25.00 C ATOM 203 OG SER A 13 -7.930 2.987 -16.245 1.00 25.00 O ATOM 0 H SER A 13 -4.129 3.449 -15.681 1.00 25.00 H new ATOM 0 HA SER A 13 -5.934 3.609 -17.873 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.135 2.017 -15.987 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.430 3.347 -14.885 1.00 25.00 H new ATOM 0 HG SER A 13 -8.397 2.377 -15.636 1.00 25.00 H new ATOM 209 N GLN A 14 -5.944 6.103 -15.698 1.00 25.00 N ATOM 210 CA GLN A 14 -6.426 7.469 -15.462 1.00 25.00 C ATOM 211 C GLN A 14 -5.973 8.477 -16.515 1.00 25.00 C ATOM 212 O GLN A 14 -6.633 9.485 -16.718 1.00 25.00 O ATOM 213 CB GLN A 14 -5.932 7.962 -14.102 1.00 25.00 C ATOM 214 CG GLN A 14 -6.525 7.224 -12.910 1.00 25.00 C ATOM 215 CD GLN A 14 -5.947 7.708 -11.594 1.00 25.00 C ATOM 216 OE1 GLN A 14 -4.882 8.296 -11.544 1.00 25.00 O ATOM 217 NE2 GLN A 14 -6.659 7.481 -10.532 1.00 25.00 N ATOM 0 H GLN A 14 -5.270 5.769 -15.009 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.513 7.409 -15.507 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.847 7.868 -14.068 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.163 9.023 -14.008 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.607 7.359 -12.902 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.338 6.155 -13.016 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -7.547 6.985 -10.610 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -6.330 7.798 -9.620 1.00 25.00 H new ATOM 226 N THR A 15 -4.829 8.230 -17.149 1.00 25.00 N ATOM 227 CA THR A 15 -4.227 9.218 -18.062 1.00 25.00 C ATOM 228 C THR A 15 -4.140 8.747 -19.508 1.00 25.00 C ATOM 229 O THR A 15 -3.510 9.411 -20.327 1.00 25.00 O ATOM 230 CB THR A 15 -2.805 9.617 -17.605 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.983 8.458 -17.529 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.833 10.266 -16.237 1.00 25.00 C ATOM 0 H THR A 15 -4.299 7.364 -17.054 1.00 25.00 H new ATOM 0 HA THR A 15 -4.901 10.074 -18.021 1.00 25.00 H new ATOM 0 HB THR A 15 -2.408 10.325 -18.332 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.303 7.877 -16.808 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.819 10.536 -15.942 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.452 11.163 -16.272 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.248 9.567 -15.511 1.00 25.00 H new ATOM 240 N ALA A 16 -4.751 7.606 -19.816 1.00 25.00 N ATOM 241 CA ALA A 16 -4.621 6.975 -21.137 1.00 25.00 C ATOM 242 C ALA A 16 -4.829 7.948 -22.320 1.00 25.00 C ATOM 243 O ALA A 16 -3.879 8.341 -22.998 1.00 25.00 O ATOM 244 CB ALA A 16 -5.621 5.786 -21.221 1.00 25.00 C ATOM 0 H ALA A 16 -5.347 7.092 -19.167 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.593 6.625 -21.231 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.536 5.307 -22.197 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -5.391 5.061 -20.440 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.638 6.155 -21.085 1.00 25.00 H new ATOM 250 N VAL A 17 -6.071 8.357 -22.551 1.00 25.00 N ATOM 251 CA VAL A 17 -6.358 9.253 -23.665 1.00 25.00 C ATOM 252 C VAL A 17 -5.882 10.676 -23.345 1.00 25.00 C ATOM 253 O VAL A 17 -5.561 11.453 -24.245 1.00 25.00 O ATOM 254 CB VAL A 17 -7.881 9.219 -24.034 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.735 9.887 -22.953 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.136 9.886 -25.387 1.00 25.00 C ATOM 0 H VAL A 17 -6.882 8.089 -21.994 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.807 8.907 -24.540 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.171 8.170 -24.101 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.785 9.845 -23.242 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.598 9.364 -22.006 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.431 10.928 -22.840 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.201 9.847 -25.617 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.811 10.926 -25.347 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.578 9.361 -26.162 1.00 25.00 H new ATOM 266 N GLN A 18 -5.801 10.987 -22.054 1.00 25.00 N ATOM 267 CA GLN A 18 -5.385 12.312 -21.613 1.00 25.00 C ATOM 268 C GLN A 18 -3.983 12.644 -22.124 1.00 25.00 C ATOM 269 O GLN A 18 -3.729 13.735 -22.623 1.00 25.00 O ATOM 270 CB GLN A 18 -5.431 12.394 -20.089 1.00 25.00 C ATOM 271 CG GLN A 18 -5.259 13.817 -19.554 1.00 25.00 C ATOM 272 CD GLN A 18 -5.208 13.864 -18.031 1.00 25.00 C ATOM 273 OE1 GLN A 18 -5.916 13.139 -17.345 1.00 25.00 O ATOM 274 NE2 GLN A 18 -4.352 14.703 -17.503 1.00 25.00 N ATOM 0 H GLN A 18 -6.018 10.339 -21.297 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.076 13.046 -22.028 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.383 11.994 -19.739 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.647 11.760 -19.674 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.342 14.246 -19.959 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.084 14.437 -19.906 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -3.778 15.292 -18.106 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -4.260 14.767 -16.489 1.00 25.00 H new ATOM 283 N PHE A 19 -3.077 11.688 -21.998 1.00 25.00 N ATOM 284 CA PHE A 19 -1.711 11.881 -22.476 1.00 25.00 C ATOM 285 C PHE A 19 -1.588 11.513 -23.948 1.00 25.00 C ATOM 286 O PHE A 19 -0.724 12.035 -24.623 1.00 25.00 O ATOM 287 CB PHE A 19 -0.716 11.081 -21.630 1.00 25.00 C ATOM 288 CG PHE A 19 -0.496 11.644 -20.217 1.00 25.00 C ATOM 289 CD1 PHE A 19 -1.112 12.846 -19.765 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.368 10.973 -19.335 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.872 13.340 -18.462 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.628 11.475 -18.020 1.00 25.00 C ATOM 293 CZ PHE A 19 0.002 12.644 -17.588 1.00 25.00 C ATOM 0 H PHE A 19 -3.256 10.778 -21.574 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.469 12.939 -22.373 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.069 10.053 -21.549 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.242 11.049 -22.149 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.772 13.388 -20.427 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.846 10.059 -19.656 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.355 14.248 -18.132 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.307 10.950 -17.364 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.182 13.018 -16.591 1.00 25.00 H new ATOM 303 N GLN A 20 -2.475 10.674 -24.466 1.00 25.00 N ATOM 304 CA GLN A 20 -2.462 10.333 -25.888 1.00 25.00 C ATOM 305 C GLN A 20 -2.686 11.582 -26.731 1.00 25.00 C ATOM 306 O GLN A 20 -2.000 11.789 -27.736 1.00 25.00 O ATOM 307 CB GLN A 20 -3.528 9.289 -26.235 1.00 25.00 C ATOM 308 CG GLN A 20 -3.312 8.575 -27.580 1.00 25.00 C ATOM 309 CD GLN A 20 -2.264 7.463 -27.501 1.00 25.00 C ATOM 310 OE1 GLN A 20 -2.278 6.638 -26.601 1.00 25.00 O ATOM 311 NE2 GLN A 20 -1.375 7.436 -28.454 1.00 25.00 N ATOM 0 H GLN A 20 -3.211 10.217 -23.928 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.484 9.906 -26.109 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.557 8.541 -25.442 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.503 9.776 -26.250 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -4.258 8.152 -27.918 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -3.004 9.305 -28.328 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -1.394 8.142 -29.190 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -0.660 6.709 -28.464 1.00 25.00 H new ATOM 320 N GLN A 21 -3.622 12.435 -26.327 1.00 25.00 N ATOM 321 CA GLN A 21 -3.873 13.678 -27.069 1.00 25.00 C ATOM 322 C GLN A 21 -2.636 14.585 -27.047 1.00 25.00 C ATOM 323 O GLN A 21 -2.275 15.160 -28.064 1.00 25.00 O ATOM 324 CB GLN A 21 -5.069 14.422 -26.449 1.00 25.00 C ATOM 325 CG GLN A 21 -6.417 13.730 -26.623 1.00 25.00 C ATOM 326 CD GLN A 21 -6.834 13.641 -28.072 1.00 25.00 C ATOM 327 OE1 GLN A 21 -6.795 12.580 -28.670 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.244 14.746 -28.638 1.00 25.00 N ATOM 0 H GLN A 21 -4.212 12.298 -25.506 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.098 13.421 -28.104 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.881 14.557 -25.384 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.128 15.417 -26.891 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.365 12.727 -26.200 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.177 14.273 -26.061 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.263 15.615 -28.105 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -7.545 14.739 -29.612 1.00 25.00 H new ATOM 337 N TYR A 22 -1.983 14.678 -25.897 1.00 25.00 N ATOM 338 CA TYR A 22 -0.754 15.476 -25.781 1.00 25.00 C ATOM 339 C TYR A 22 0.362 14.886 -26.643 1.00 25.00 C ATOM 340 O TYR A 22 1.106 15.597 -27.304 1.00 25.00 O ATOM 341 CB TYR A 22 -0.289 15.489 -24.321 1.00 25.00 C ATOM 342 CG TYR A 22 1.050 16.181 -24.136 1.00 25.00 C ATOM 343 CD1 TYR A 22 2.251 15.455 -24.231 1.00 25.00 C ATOM 344 CD2 TYR A 22 1.121 17.565 -23.872 1.00 25.00 C ATOM 345 CE1 TYR A 22 3.509 16.102 -24.059 1.00 25.00 C ATOM 346 CE2 TYR A 22 2.386 18.215 -23.693 1.00 25.00 C ATOM 347 CZ TYR A 22 3.559 17.468 -23.785 1.00 25.00 C ATOM 348 OH TYR A 22 4.777 18.092 -23.613 1.00 25.00 O ATOM 0 H TYR A 22 -2.274 14.218 -25.034 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.971 16.488 -26.122 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.039 15.990 -23.710 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.216 14.464 -23.959 1.00 25.00 H new ATOM 0 HD1 TYR A 22 2.219 14.395 -24.437 1.00 25.00 H new ATOM 0 HD2 TYR A 22 0.211 18.142 -23.804 1.00 25.00 H new ATOM 0 HE1 TYR A 22 4.424 15.534 -24.141 1.00 25.00 H new ATOM 0 HE2 TYR A 22 2.430 19.275 -23.489 1.00 25.00 H new ATOM 0 HH TYR A 22 4.634 19.044 -23.430 1.00 25.00 H new ATOM 358 N ALA A 23 0.479 13.574 -26.647 1.00 25.00 N ATOM 359 CA ALA A 23 1.499 12.915 -27.433 1.00 25.00 C ATOM 360 C ALA A 23 1.263 13.115 -28.934 1.00 25.00 C ATOM 361 O ALA A 23 2.228 13.260 -29.701 1.00 25.00 O ATOM 362 CB ALA A 23 1.549 11.457 -27.083 1.00 25.00 C ATOM 0 H ALA A 23 -0.120 12.944 -26.114 1.00 25.00 H new ATOM 0 HA ALA A 23 2.463 13.365 -27.196 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.319 10.966 -27.678 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.782 11.345 -26.024 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.582 10.999 -27.292 1.00 25.00 H new ATOM 368 N ALA A 24 0.008 13.143 -29.362 1.00 25.00 N ATOM 369 CA ALA A 24 -0.311 13.384 -30.769 1.00 25.00 C ATOM 370 C ALA A 24 0.047 14.823 -31.170 1.00 25.00 C ATOM 371 O ALA A 24 0.308 15.113 -32.336 1.00 25.00 O ATOM 372 CB ALA A 24 -1.810 13.127 -30.989 1.00 25.00 C ATOM 0 H ALA A 24 -0.804 13.003 -28.761 1.00 25.00 H new ATOM 0 HA ALA A 24 0.275 12.708 -31.392 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.060 13.304 -32.035 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.044 12.095 -30.729 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.391 13.800 -30.359 1.00 25.00 H new ATOM 378 N GLN A 25 0.088 15.721 -30.193 1.00 25.00 N ATOM 379 CA GLN A 25 0.451 17.119 -30.439 1.00 25.00 C ATOM 380 C GLN A 25 1.954 17.285 -30.731 1.00 25.00 C ATOM 381 O GLN A 25 2.394 18.295 -31.242 1.00 25.00 O ATOM 382 CB GLN A 25 0.078 17.957 -29.212 1.00 25.00 C ATOM 383 CG GLN A 25 -0.095 19.445 -29.478 1.00 25.00 C ATOM 384 CD GLN A 25 -0.551 20.182 -28.238 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.366 19.718 -27.112 1.00 25.00 O ATOM 386 NE2 GLN A 25 -1.143 21.331 -28.430 1.00 25.00 N ATOM 0 H GLN A 25 -0.126 15.509 -29.218 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.096 17.457 -31.319 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.850 17.568 -28.793 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.849 17.826 -28.453 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.849 19.865 -29.826 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -0.822 19.590 -30.277 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -1.278 21.683 -29.378 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -1.470 21.876 -27.632 1.00 25.00 H new ATOM 395 N GLN A 26 2.727 16.261 -30.396 1.00 25.00 N ATOM 396 CA GLN A 26 4.178 16.264 -30.593 1.00 25.00 C ATOM 397 C GLN A 26 4.617 15.330 -31.711 1.00 25.00 C ATOM 398 O GLN A 26 5.454 15.683 -32.536 1.00 25.00 O ATOM 399 CB GLN A 26 4.859 15.823 -29.306 1.00 25.00 C ATOM 400 CG GLN A 26 4.801 16.854 -28.186 1.00 25.00 C ATOM 401 CD GLN A 26 5.855 17.941 -28.319 1.00 25.00 C ATOM 402 OE1 GLN A 26 7.034 17.668 -28.334 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.428 19.166 -28.416 1.00 25.00 N ATOM 0 H GLN A 26 2.369 15.402 -29.979 1.00 25.00 H new ATOM 0 HA GLN A 26 4.464 17.279 -30.868 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.394 14.900 -28.960 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.903 15.594 -29.520 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.813 17.314 -28.175 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.928 16.349 -27.229 1.00 25.00 H new ATOM 0 HE21 GLN A 26 4.427 19.360 -28.400 1.00 25.00 H new ATOM 0 HE22 GLN A 26 6.094 19.933 -28.508 1.00 25.00 H new ATOM 412 N TYR A 27 4.041 14.134 -31.742 1.00 25.00 N ATOM 413 CA TYR A 27 4.372 13.129 -32.750 1.00 25.00 C ATOM 414 C TYR A 27 3.121 12.698 -33.524 1.00 25.00 C ATOM 415 O TYR A 27 2.656 11.544 -33.395 1.00 25.00 O ATOM 416 CB TYR A 27 5.004 11.909 -32.052 1.00 25.00 C ATOM 417 CG TYR A 27 6.317 12.218 -31.351 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.359 12.888 -32.025 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.522 11.835 -30.007 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.587 13.182 -31.355 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.751 12.123 -29.336 1.00 25.00 C ATOM 422 CZ TYR A 27 8.762 12.789 -30.022 1.00 25.00 C ATOM 423 OH TYR A 27 9.955 13.065 -29.390 1.00 25.00 O ATOM 0 H TYR A 27 3.333 13.832 -31.072 1.00 25.00 H new ATOM 0 HA TYR A 27 5.077 13.559 -33.461 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.298 11.513 -31.323 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.172 11.126 -32.791 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.228 13.181 -33.056 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.737 11.316 -29.477 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.376 13.705 -31.874 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.893 11.827 -28.307 1.00 25.00 H new ATOM 0 HH TYR A 27 9.922 12.731 -28.469 1.00 25.00 H new ATOM 433 N PRO A 28 2.547 13.597 -34.335 1.00 25.00 N ATOM 434 CA PRO A 28 1.317 13.176 -35.005 1.00 25.00 C ATOM 435 C PRO A 28 1.549 12.052 -36.022 1.00 25.00 C ATOM 436 O PRO A 28 2.521 12.053 -36.754 1.00 25.00 O ATOM 437 CB PRO A 28 0.849 14.461 -35.687 1.00 25.00 C ATOM 438 CG PRO A 28 2.064 15.259 -35.894 1.00 25.00 C ATOM 439 CD PRO A 28 2.908 14.990 -34.689 1.00 25.00 C ATOM 0 HA PRO A 28 0.588 12.755 -34.313 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.355 14.245 -36.634 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.129 14.995 -35.067 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.578 14.967 -36.810 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.830 16.320 -35.984 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.971 15.088 -34.910 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.686 15.683 -33.878 1.00 25.00 H new ATOM 447 N GLY A 29 0.673 11.056 -36.014 1.00 25.00 N ATOM 448 CA GLY A 29 0.799 9.920 -36.919 1.00 25.00 C ATOM 449 C GLY A 29 1.765 8.832 -36.462 1.00 25.00 C ATOM 450 O GLY A 29 1.710 7.717 -36.974 1.00 25.00 O ATOM 0 H GLY A 29 -0.133 11.011 -35.391 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.186 9.475 -37.057 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.123 10.286 -37.893 1.00 25.00 H new ATOM 454 N ASN A 30 2.619 9.123 -35.490 1.00 25.00 N ATOM 455 CA ASN A 30 3.621 8.169 -35.025 1.00 25.00 C ATOM 456 C ASN A 30 3.205 7.539 -33.707 1.00 25.00 C ATOM 457 O ASN A 30 3.607 8.002 -32.643 1.00 25.00 O ATOM 458 CB ASN A 30 4.966 8.853 -34.838 1.00 25.00 C ATOM 459 CG ASN A 30 5.680 9.095 -36.133 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.449 10.081 -36.791 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.558 8.191 -36.507 1.00 25.00 N ATOM 0 H ASN A 30 2.639 10.019 -35.004 1.00 25.00 H new ATOM 0 HA ASN A 30 3.707 7.391 -35.784 1.00 25.00 H new ATOM 0 HB2 ASN A 30 4.817 9.804 -34.328 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.594 8.240 -34.192 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.072 8.310 -37.380 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.726 7.371 -35.924 1.00 25.00 H new ATOM 468 N TYR A 31 2.416 6.476 -33.773 1.00 25.00 N ATOM 469 CA TYR A 31 1.909 5.814 -32.567 1.00 25.00 C ATOM 470 C TYR A 31 3.036 5.358 -31.641 1.00 25.00 C ATOM 471 O TYR A 31 2.961 5.557 -30.434 1.00 25.00 O ATOM 472 CB TYR A 31 1.051 4.610 -32.974 1.00 25.00 C ATOM 473 CG TYR A 31 0.783 3.655 -31.827 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.133 3.993 -30.810 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.469 2.421 -31.737 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.359 3.117 -29.720 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.251 1.539 -30.646 1.00 25.00 C ATOM 478 CZ TYR A 31 0.338 1.892 -29.648 1.00 25.00 C ATOM 479 OH TYR A 31 0.121 1.052 -28.591 1.00 25.00 O ATOM 0 H TYR A 31 2.110 6.049 -34.647 1.00 25.00 H new ATOM 0 HA TYR A 31 1.309 6.538 -32.015 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.101 4.967 -33.372 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.551 4.071 -33.779 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.668 4.930 -30.863 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.170 2.145 -32.511 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.063 3.386 -28.946 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.786 0.603 -30.588 1.00 25.00 H new ATOM 0 HH TYR A 31 0.676 0.251 -28.690 1.00 25.00 H new ATOM 489 N GLU A 32 4.083 4.764 -32.191 1.00 25.00 N ATOM 490 CA GLU A 32 5.212 4.289 -31.386 1.00 25.00 C ATOM 491 C GLU A 32 5.888 5.445 -30.633 1.00 25.00 C ATOM 492 O GLU A 32 6.156 5.339 -29.444 1.00 25.00 O ATOM 493 CB GLU A 32 6.219 3.564 -32.291 1.00 25.00 C ATOM 494 CG GLU A 32 6.704 4.375 -33.495 1.00 25.00 C ATOM 495 CD GLU A 32 7.464 3.538 -34.482 1.00 25.00 C ATOM 496 OE1 GLU A 32 6.840 2.637 -35.081 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.678 3.777 -34.672 1.00 25.00 O ATOM 0 H GLU A 32 4.180 4.596 -33.192 1.00 25.00 H new ATOM 0 HA GLU A 32 4.836 3.591 -30.638 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.084 3.278 -31.692 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.763 2.642 -32.652 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.847 4.829 -33.992 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.340 5.190 -33.148 1.00 25.00 H new ATOM 504 N GLN A 33 6.126 6.559 -31.301 1.00 25.00 N ATOM 505 CA GLN A 33 6.784 7.709 -30.666 1.00 25.00 C ATOM 506 C GLN A 33 5.865 8.307 -29.620 1.00 25.00 C ATOM 507 O GLN A 33 6.309 8.715 -28.531 1.00 25.00 O ATOM 508 CB GLN A 33 7.127 8.790 -31.688 1.00 25.00 C ATOM 509 CG GLN A 33 8.235 8.433 -32.653 1.00 25.00 C ATOM 510 CD GLN A 33 9.602 8.865 -32.139 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.165 8.246 -31.263 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.119 9.938 -32.669 1.00 25.00 N ATOM 0 H GLN A 33 5.878 6.701 -32.280 1.00 25.00 H new ATOM 0 HA GLN A 33 7.707 7.353 -30.208 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.230 9.025 -32.260 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.410 9.697 -31.153 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.235 7.356 -32.822 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.044 8.907 -33.616 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.618 10.435 -33.405 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.025 10.280 -32.348 1.00 25.00 H new ATOM 521 N GLN A 34 4.581 8.327 -29.924 1.00 25.00 N ATOM 522 CA GLN A 34 3.599 8.799 -28.959 1.00 25.00 C ATOM 523 C GLN A 34 3.685 7.964 -27.678 1.00 25.00 C ATOM 524 O GLN A 34 3.583 8.503 -26.590 1.00 25.00 O ATOM 525 CB GLN A 34 2.186 8.713 -29.546 1.00 25.00 C ATOM 526 CG GLN A 34 1.870 9.809 -30.553 1.00 25.00 C ATOM 527 CD GLN A 34 0.528 9.602 -31.221 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.348 8.954 -30.686 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.384 10.108 -32.417 1.00 25.00 N ATOM 0 H GLN A 34 4.194 8.027 -30.819 1.00 25.00 H new ATOM 0 HA GLN A 34 3.814 9.841 -28.723 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.062 7.743 -30.028 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.462 8.760 -28.733 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.878 10.776 -30.050 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.651 9.838 -31.312 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.141 10.648 -32.837 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.485 9.963 -32.931 1.00 25.00 H new ATOM 538 N GLN A 35 3.924 6.666 -27.791 1.00 25.00 N ATOM 539 CA GLN A 35 3.981 5.812 -26.601 1.00 25.00 C ATOM 540 C GLN A 35 5.255 6.058 -25.794 1.00 25.00 C ATOM 541 O GLN A 35 5.244 6.031 -24.557 1.00 25.00 O ATOM 542 CB GLN A 35 3.885 4.338 -27.002 1.00 25.00 C ATOM 543 CG GLN A 35 2.498 3.916 -27.462 1.00 25.00 C ATOM 544 CD GLN A 35 1.472 3.956 -26.334 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.711 3.447 -25.247 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.362 4.621 -26.572 1.00 25.00 N ATOM 0 H GLN A 35 4.080 6.182 -28.675 1.00 25.00 H new ATOM 0 HA GLN A 35 3.131 6.067 -25.968 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.598 4.142 -27.802 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.180 3.720 -26.154 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.171 4.571 -28.269 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.545 2.906 -27.870 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.200 5.031 -27.492 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.337 4.727 -25.836 1.00 25.00 H new ATOM 555 N ILE A 36 6.356 6.311 -26.490 1.00 25.00 N ATOM 556 CA ILE A 36 7.617 6.628 -25.834 1.00 25.00 C ATOM 557 C ILE A 36 7.429 7.901 -25.009 1.00 25.00 C ATOM 558 O ILE A 36 7.852 7.987 -23.843 1.00 25.00 O ATOM 559 CB ILE A 36 8.722 6.828 -26.879 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.938 5.520 -27.673 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.052 7.260 -26.204 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.689 5.711 -28.969 1.00 25.00 C ATOM 0 H ILE A 36 6.401 6.303 -27.509 1.00 25.00 H new ATOM 0 HA ILE A 36 7.913 5.806 -25.182 1.00 25.00 H new ATOM 0 HB ILE A 36 8.410 7.619 -27.561 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.484 4.813 -27.048 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.968 5.072 -27.889 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.820 7.395 -26.966 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.901 8.198 -25.670 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.370 6.490 -25.501 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.802 4.749 -29.469 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.134 6.393 -29.614 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.674 6.129 -28.761 1.00 25.00 H new ATOM 574 N LEU A 37 6.743 8.868 -25.592 1.00 25.00 N ATOM 575 CA LEU A 37 6.515 10.142 -24.916 1.00 25.00 C ATOM 576 C LEU A 37 5.604 9.995 -23.692 1.00 25.00 C ATOM 577 O LEU A 37 5.925 10.477 -22.612 1.00 25.00 O ATOM 578 CB LEU A 37 5.920 11.132 -25.911 1.00 25.00 C ATOM 579 CG LEU A 37 5.645 12.559 -25.415 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.891 13.171 -24.754 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.211 13.417 -26.583 1.00 25.00 C ATOM 0 H LEU A 37 6.335 8.801 -26.525 1.00 25.00 H new ATOM 0 HA LEU A 37 7.473 10.511 -24.549 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.595 11.197 -26.765 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.981 10.717 -26.278 1.00 25.00 H new ATOM 0 HG LEU A 37 4.854 12.519 -24.666 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.663 14.181 -24.414 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.188 12.560 -23.902 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.706 13.207 -25.477 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.014 14.431 -26.236 1.00 25.00 H new ATOM 0 HD22 LEU A 37 6.001 13.437 -27.333 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.304 13.002 -27.022 1.00 25.00 H new ATOM 593 N ILE A 38 4.490 9.296 -23.858 1.00 25.00 N ATOM 594 CA ILE A 38 3.527 9.078 -22.772 1.00 25.00 C ATOM 595 C ILE A 38 4.188 8.408 -21.553 1.00 25.00 C ATOM 596 O ILE A 38 3.942 8.821 -20.406 1.00 25.00 O ATOM 597 CB ILE A 38 2.319 8.207 -23.272 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.477 9.022 -24.279 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.391 7.765 -22.094 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.588 8.185 -25.205 1.00 25.00 C ATOM 0 H ILE A 38 4.223 8.863 -24.742 1.00 25.00 H new ATOM 0 HA ILE A 38 3.159 10.056 -22.462 1.00 25.00 H new ATOM 0 HB ILE A 38 2.732 7.314 -23.741 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.846 9.716 -23.724 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.150 9.622 -24.891 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.569 7.165 -22.484 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.965 7.174 -21.381 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.991 8.648 -21.595 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.037 8.845 -25.875 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.209 7.509 -25.792 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.115 7.605 -24.608 1.00 25.00 H new ATOM 612 N ARG A 39 5.071 7.438 -21.764 1.00 25.00 N ATOM 613 CA ARG A 39 5.786 6.803 -20.630 1.00 25.00 C ATOM 614 C ARG A 39 6.599 7.811 -19.829 1.00 25.00 C ATOM 615 O ARG A 39 6.646 7.739 -18.611 1.00 25.00 O ATOM 616 CB ARG A 39 6.725 5.708 -21.132 1.00 25.00 C ATOM 617 CG ARG A 39 6.033 4.471 -21.683 1.00 25.00 C ATOM 618 CD ARG A 39 7.077 3.542 -22.278 1.00 25.00 C ATOM 619 NE ARG A 39 6.475 2.347 -22.895 1.00 25.00 N ATOM 620 CZ ARG A 39 6.376 2.131 -24.210 1.00 25.00 C ATOM 621 NH1 ARG A 39 6.796 2.993 -25.106 1.00 25.00 N ATOM 622 NH2 ARG A 39 5.864 1.016 -24.624 1.00 25.00 N ATOM 0 H ARG A 39 5.315 7.071 -22.684 1.00 25.00 H new ATOM 0 HA ARG A 39 5.022 6.376 -19.980 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.363 6.126 -21.911 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.378 5.406 -20.313 1.00 25.00 H new ATOM 0 HG2 ARG A 39 5.485 3.962 -20.890 1.00 25.00 H new ATOM 0 HG3 ARG A 39 5.305 4.754 -22.443 1.00 25.00 H new ATOM 0 HD2 ARG A 39 7.656 4.082 -23.027 1.00 25.00 H new ATOM 0 HD3 ARG A 39 7.773 3.234 -21.498 1.00 25.00 H new ATOM 0 HE ARG A 39 6.106 1.630 -22.271 1.00 25.00 H new ATOM 0 HH11 ARG A 39 7.219 3.872 -24.809 1.00 25.00 H new ATOM 0 HH12 ARG A 39 6.699 2.784 -26.100 1.00 25.00 H new ATOM 0 HH21 ARG A 39 5.544 0.320 -23.950 1.00 25.00 H new ATOM 0 HH22 ARG A 39 5.780 0.833 -25.624 1.00 25.00 H new ATOM 636 N GLN A 40 7.220 8.756 -20.506 1.00 25.00 N ATOM 637 CA GLN A 40 8.007 9.777 -19.827 1.00 25.00 C ATOM 638 C GLN A 40 7.117 10.673 -18.953 1.00 25.00 C ATOM 639 O GLN A 40 7.463 11.010 -17.820 1.00 25.00 O ATOM 640 CB GLN A 40 8.759 10.636 -20.858 1.00 25.00 C ATOM 641 CG GLN A 40 9.816 11.535 -20.231 1.00 25.00 C ATOM 642 CD GLN A 40 10.191 12.685 -21.159 1.00 25.00 C ATOM 643 OE1 GLN A 40 9.993 13.844 -20.824 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.694 12.364 -22.336 1.00 25.00 N ATOM 0 H GLN A 40 7.198 8.842 -21.522 1.00 25.00 H new ATOM 0 HA GLN A 40 8.726 9.274 -19.180 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.234 9.982 -21.589 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.042 11.252 -21.400 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.443 11.934 -19.288 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.705 10.948 -20.000 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.844 11.384 -22.577 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.933 13.096 -23.005 1.00 25.00 H new ATOM 653 N LEU A 41 5.969 11.063 -19.484 1.00 25.00 N ATOM 654 CA LEU A 41 5.036 11.948 -18.756 1.00 25.00 C ATOM 655 C LEU A 41 4.530 11.265 -17.493 1.00 25.00 C ATOM 656 O LEU A 41 4.417 11.882 -16.425 1.00 25.00 O ATOM 657 CB LEU A 41 3.817 12.282 -19.637 1.00 25.00 C ATOM 658 CG LEU A 41 4.087 12.905 -21.013 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.756 12.997 -21.743 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.752 14.255 -20.932 1.00 25.00 C ATOM 0 H LEU A 41 5.650 10.789 -20.413 1.00 25.00 H new ATOM 0 HA LEU A 41 5.576 12.859 -18.498 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.250 11.364 -19.789 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.175 12.964 -19.079 1.00 25.00 H new ATOM 0 HG LEU A 41 4.789 12.271 -21.555 1.00 25.00 H new ATOM 0 HD11 LEU A 41 2.911 13.437 -22.728 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.332 11.999 -21.854 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.070 13.621 -21.171 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.915 14.641 -21.938 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.113 14.943 -20.379 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.710 14.159 -20.420 1.00 25.00 H new ATOM 672 N GLN A 42 4.211 9.992 -17.634 1.00 25.00 N ATOM 673 CA GLN A 42 3.718 9.218 -16.520 1.00 25.00 C ATOM 674 C GLN A 42 4.813 9.026 -15.483 1.00 25.00 C ATOM 675 O GLN A 42 4.557 9.154 -14.299 1.00 25.00 O ATOM 676 CB GLN A 42 3.216 7.855 -16.997 1.00 25.00 C ATOM 677 CG GLN A 42 1.948 7.957 -17.891 1.00 25.00 C ATOM 678 CD GLN A 42 1.547 6.628 -18.481 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.355 5.719 -18.597 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.312 6.520 -18.883 1.00 25.00 N ATOM 0 H GLN A 42 4.286 9.476 -18.511 1.00 25.00 H new ATOM 0 HA GLN A 42 2.890 9.762 -16.066 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.009 7.356 -17.555 1.00 25.00 H new ATOM 0 HB3 GLN A 42 2.995 7.231 -16.131 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.122 8.352 -17.300 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.132 8.668 -18.697 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.332 7.303 -18.768 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.011 5.653 -19.313 1.00 25.00 H new ATOM 689 N GLU A 43 6.039 8.759 -15.911 1.00 25.00 N ATOM 690 CA GLU A 43 7.136 8.545 -14.961 1.00 25.00 C ATOM 691 C GLU A 43 7.471 9.837 -14.191 1.00 25.00 C ATOM 692 O GLU A 43 7.571 9.822 -12.968 1.00 25.00 O ATOM 693 CB GLU A 43 8.381 8.058 -15.705 1.00 25.00 C ATOM 694 CG GLU A 43 9.190 7.015 -14.931 1.00 25.00 C ATOM 695 CD GLU A 43 9.709 7.526 -13.597 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.403 8.568 -13.590 1.00 25.00 O ATOM 697 OE2 GLU A 43 9.439 6.877 -12.560 1.00 25.00 O ATOM 0 H GLU A 43 6.303 8.685 -16.893 1.00 25.00 H new ATOM 0 HA GLU A 43 6.815 7.791 -14.243 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.079 7.634 -16.662 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.021 8.913 -15.923 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.567 6.137 -14.759 1.00 25.00 H new ATOM 0 HG3 GLU A 43 10.033 6.693 -15.542 1.00 25.00 H new ATOM 704 N GLN A 44 7.546 10.956 -14.896 1.00 25.00 N ATOM 705 CA GLN A 44 7.825 12.244 -14.255 1.00 25.00 C ATOM 706 C GLN A 44 6.783 12.519 -13.182 1.00 25.00 C ATOM 707 O GLN A 44 7.096 12.994 -12.096 1.00 25.00 O ATOM 708 CB GLN A 44 7.817 13.375 -15.280 1.00 25.00 C ATOM 709 CG GLN A 44 9.030 13.383 -16.221 1.00 25.00 C ATOM 710 CD GLN A 44 10.238 14.035 -15.598 1.00 25.00 C ATOM 711 OE1 GLN A 44 11.045 13.396 -14.957 1.00 25.00 O ATOM 712 NE2 GLN A 44 10.374 15.320 -15.802 1.00 25.00 N ATOM 0 H GLN A 44 7.419 11.004 -15.907 1.00 25.00 H new ATOM 0 HA GLN A 44 8.815 12.196 -13.802 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.909 13.301 -15.878 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.775 14.328 -14.752 1.00 25.00 H new ATOM 0 HG2 GLN A 44 9.277 12.358 -16.499 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.770 13.909 -17.140 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.676 15.827 -16.346 1.00 25.00 H new ATOM 0 HE22 GLN A 44 11.178 15.815 -15.417 1.00 25.00 H new ATOM 721 N HIS A 45 5.531 12.193 -13.454 1.00 25.00 N ATOM 722 CA HIS A 45 4.487 12.431 -12.461 1.00 25.00 C ATOM 723 C HIS A 45 4.372 11.319 -11.415 1.00 25.00 C ATOM 724 O HIS A 45 3.796 11.533 -10.346 1.00 25.00 O ATOM 725 CB HIS A 45 3.151 12.684 -13.136 1.00 25.00 C ATOM 726 CG HIS A 45 2.296 13.667 -12.388 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.280 13.305 -11.499 1.00 25.00 N ATOM 728 CD2 HIS A 45 2.313 15.024 -12.364 1.00 25.00 C ATOM 729 CE1 HIS A 45 0.750 14.412 -10.987 1.00 25.00 C ATOM 730 NE2 HIS A 45 1.360 15.453 -11.491 1.00 25.00 N ATOM 0 H HIS A 45 5.214 11.774 -14.328 1.00 25.00 H new ATOM 0 HA HIS A 45 4.785 13.326 -11.914 1.00 25.00 H new ATOM 0 HB2 HIS A 45 3.324 13.055 -14.146 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.613 11.741 -13.231 1.00 25.00 H new ATOM 0 HD2 HIS A 45 2.972 15.657 -12.940 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.056 14.446 -10.269 1.00 25.00 H new ATOM 0 HE2 HIS A 45 1.156 16.427 -11.267 1.00 25.00 H new ATOM 738 N TYR A 46 4.958 10.170 -11.698 1.00 25.00 N ATOM 739 CA TYR A 46 5.006 9.063 -10.752 1.00 25.00 C ATOM 740 C TYR A 46 5.995 9.420 -9.655 1.00 25.00 C ATOM 741 O TYR A 46 5.755 9.129 -8.479 1.00 25.00 O ATOM 742 CB TYR A 46 5.453 7.778 -11.449 1.00 25.00 C ATOM 743 CG TYR A 46 5.550 6.586 -10.537 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.404 5.994 -9.984 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.815 6.036 -10.223 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.514 4.864 -9.141 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.922 4.906 -9.379 1.00 25.00 C ATOM 748 CZ TYR A 46 5.769 4.329 -8.862 1.00 25.00 C ATOM 749 OH TYR A 46 5.867 3.234 -8.065 1.00 25.00 O ATOM 0 H TYR A 46 5.415 9.975 -12.589 1.00 25.00 H new ATOM 0 HA TYR A 46 4.013 8.895 -10.334 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.753 7.551 -12.253 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.425 7.948 -11.912 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.430 6.405 -10.204 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.709 6.484 -10.632 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.628 4.417 -8.715 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.892 4.495 -9.139 1.00 25.00 H new ATOM 0 HH TYR A 46 6.217 3.498 -7.188 1.00 25.00 H new ATOM 759 N GLN A 47 7.047 10.147 -10.019 1.00 25.00 N ATOM 760 CA GLN A 47 8.018 10.619 -9.034 1.00 25.00 C ATOM 761 C GLN A 47 7.300 11.496 -8.015 1.00 25.00 C ATOM 762 O GLN A 47 7.463 11.318 -6.813 1.00 25.00 O ATOM 763 CB GLN A 47 9.123 11.451 -9.703 1.00 25.00 C ATOM 764 CG GLN A 47 10.005 10.698 -10.683 1.00 25.00 C ATOM 765 CD GLN A 47 10.818 11.642 -11.545 1.00 25.00 C ATOM 766 OE1 GLN A 47 11.174 12.730 -11.109 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.111 11.244 -12.743 1.00 25.00 N ATOM 0 H GLN A 47 7.249 10.421 -10.980 1.00 25.00 H new ATOM 0 HA GLN A 47 8.472 9.753 -8.553 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.658 12.286 -10.227 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.756 11.876 -8.924 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.676 10.037 -10.135 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.385 10.067 -11.320 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.795 10.330 -13.068 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.657 11.844 -13.361 1.00 25.00 H new ATOM 776 N GLN A 48 6.469 12.412 -8.504 1.00 25.00 N ATOM 777 CA GLN A 48 5.720 13.313 -7.629 1.00 25.00 C ATOM 778 C GLN A 48 4.742 12.518 -6.751 1.00 25.00 C ATOM 779 O GLN A 48 4.587 12.782 -5.563 1.00 25.00 O ATOM 780 CB GLN A 48 4.933 14.332 -8.462 1.00 25.00 C ATOM 781 CG GLN A 48 4.419 15.519 -7.645 1.00 25.00 C ATOM 782 CD GLN A 48 3.310 16.277 -8.354 1.00 25.00 C ATOM 783 OE1 GLN A 48 3.403 16.581 -9.533 1.00 25.00 O ATOM 784 NE2 GLN A 48 2.239 16.557 -7.639 1.00 25.00 N ATOM 0 H GLN A 48 6.296 12.551 -9.500 1.00 25.00 H new ATOM 0 HA GLN A 48 6.433 13.837 -6.992 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.570 14.702 -9.265 1.00 25.00 H new ATOM 0 HB3 GLN A 48 4.087 13.830 -8.931 1.00 25.00 H new ATOM 0 HG2 GLN A 48 4.053 15.162 -6.682 1.00 25.00 H new ATOM 0 HG3 GLN A 48 5.245 16.199 -7.439 1.00 25.00 H new ATOM 0 HE21 GLN A 48 2.197 16.287 -6.656 1.00 25.00 H new ATOM 0 HE22 GLN A 48 1.452 17.043 -8.068 1.00 25.00 H new ATOM 793 N TYR A 49 4.101 11.515 -7.338 1.00 25.00 N ATOM 794 CA TYR A 49 3.167 10.671 -6.602 1.00 25.00 C ATOM 795 C TYR A 49 3.880 9.940 -5.462 1.00 25.00 C ATOM 796 O TYR A 49 3.379 9.865 -4.334 1.00 25.00 O ATOM 797 CB TYR A 49 2.545 9.660 -7.562 1.00 25.00 C ATOM 798 CG TYR A 49 1.302 9.005 -7.019 1.00 25.00 C ATOM 799 CD1 TYR A 49 0.054 9.653 -7.116 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.349 7.726 -6.430 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.107 9.044 -6.617 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.168 7.108 -5.926 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.040 7.783 -6.017 1.00 25.00 C ATOM 804 OH TYR A 49 -2.174 7.194 -5.521 1.00 25.00 O ATOM 0 H TYR A 49 4.210 11.266 -8.321 1.00 25.00 H new ATOM 0 HA TYR A 49 2.387 11.297 -6.168 1.00 25.00 H new ATOM 0 HB2 TYR A 49 2.303 10.161 -8.499 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.281 8.890 -7.794 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.009 10.627 -7.579 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.293 7.207 -6.359 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.057 9.552 -6.697 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.213 6.126 -5.479 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.949 6.320 -5.140 1.00 25.00 H new ATOM 814 N MET A 50 5.092 9.475 -5.724 1.00 25.00 N ATOM 815 CA MET A 50 5.900 8.795 -4.721 1.00 25.00 C ATOM 816 C MET A 50 6.381 9.765 -3.640 1.00 25.00 C ATOM 817 O MET A 50 6.395 9.422 -2.462 1.00 25.00 O ATOM 818 CB MET A 50 7.101 8.114 -5.377 1.00 25.00 C ATOM 819 CG MET A 50 7.563 6.842 -4.658 1.00 25.00 C ATOM 820 SD MET A 50 7.096 5.314 -5.525 1.00 25.00 S ATOM 821 CE MET A 50 5.264 5.443 -5.545 1.00 25.00 C ATOM 0 H MET A 50 5.543 9.558 -6.635 1.00 25.00 H new ATOM 0 HA MET A 50 5.272 8.040 -4.247 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.847 7.865 -6.407 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.931 8.820 -5.415 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.647 6.870 -4.545 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.138 6.826 -3.654 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.835 4.488 -5.849 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.906 5.700 -4.548 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.961 6.218 -6.250 1.00 25.00 H new