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 30:sc= 0 USER MOD Set 1.2: A 50 MET CE :methyl -162:sc= -0.125 (180deg=-0.215) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Set 3.1: A 15 THR OG1 : rot -76:sc= 0.533 USER MOD Set 3.2: A 42 GLN : amide:sc= 0 K(o=0.53,f=-0.19) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00299 K(o=-0.003,f=-0.56) USER MOD Single : A 6 GLN : amide:sc=-0.00335 X(o=-0.0033,f=-0.0033) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00754 X(o=-0.0075,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc=-0.00921 X(o=-0.0092,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0755 X(o=-0.076,f=-0.076) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.77) 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= -0.0681 K(o=-0.068,f=-0.6) USER MOD Single : A 34 GLN : amide:sc= 0.774 K(o=0.77,f=-0.75) USER MOD Single : A 35 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.078) USER MOD Single : A 40 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.058) USER MOD Single : A 44 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 45 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.18) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 4.686 -1.567 -6.002 1.00 25.00 N ATOM 54 CA LYS A 4 4.855 -0.284 -6.721 1.00 25.00 C ATOM 55 C LYS A 4 4.152 -0.214 -8.079 1.00 25.00 C ATOM 56 O LYS A 4 3.618 0.821 -8.466 1.00 25.00 O ATOM 57 CB LYS A 4 6.358 0.027 -6.886 1.00 25.00 C ATOM 58 CG LYS A 4 7.183 -1.007 -7.679 1.00 25.00 C ATOM 59 CD LYS A 4 8.653 -0.592 -7.763 1.00 25.00 C ATOM 60 CE LYS A 4 9.435 -1.465 -8.760 1.00 25.00 C ATOM 61 NZ LYS A 4 9.587 -2.901 -8.274 1.00 25.00 N ATOM 0 HA LYS A 4 4.368 0.470 -6.102 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.456 0.994 -7.379 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.798 0.129 -5.894 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.104 -1.983 -7.201 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.773 -1.110 -8.684 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.719 0.453 -8.065 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.110 -0.669 -6.776 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.923 -1.461 -9.722 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.422 -1.032 -8.923 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.120 -3.451 -8.978 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.099 -2.909 -7.369 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 8.646 -3.325 -8.144 1.00 25.00 H new ATOM 75 N GLN A 5 4.146 -1.321 -8.804 1.00 25.00 N ATOM 76 CA GLN A 5 3.582 -1.359 -10.144 1.00 25.00 C ATOM 77 C GLN A 5 2.055 -1.231 -10.163 1.00 25.00 C ATOM 78 O GLN A 5 1.497 -0.709 -11.116 1.00 25.00 O ATOM 79 CB GLN A 5 4.030 -2.640 -10.843 1.00 25.00 C ATOM 80 CG GLN A 5 3.902 -2.580 -12.367 1.00 25.00 C ATOM 81 CD GLN A 5 4.595 -3.746 -13.039 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.687 -4.126 -12.659 1.00 25.00 O ATOM 83 NE2 GLN A 5 3.948 -4.340 -14.004 1.00 25.00 N ATOM 0 H GLN A 5 4.528 -2.211 -8.484 1.00 25.00 H new ATOM 0 HA GLN A 5 3.958 -0.489 -10.682 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.068 -2.843 -10.581 1.00 25.00 H new ATOM 0 HB3 GLN A 5 3.438 -3.475 -10.469 1.00 25.00 H new ATOM 0 HG2 GLN A 5 2.847 -2.577 -12.643 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.329 -1.645 -12.731 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.034 -3.992 -14.295 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.356 -5.152 -14.467 1.00 25.00 H new ATOM 92 N GLN A 6 1.383 -1.640 -9.093 1.00 25.00 N ATOM 93 CA GLN A 6 -0.080 -1.498 -9.024 1.00 25.00 C ATOM 94 C GLN A 6 -0.453 -0.022 -9.074 1.00 25.00 C ATOM 95 O GLN A 6 -1.425 0.369 -9.706 1.00 25.00 O ATOM 96 CB GLN A 6 -0.622 -2.057 -7.704 1.00 25.00 C ATOM 97 CG GLN A 6 -0.608 -3.575 -7.587 1.00 25.00 C ATOM 98 CD GLN A 6 -1.647 -4.224 -8.477 1.00 25.00 C ATOM 99 OE1 GLN A 6 -1.355 -4.689 -9.556 1.00 25.00 O ATOM 100 NE2 GLN A 6 -2.866 -4.280 -8.002 1.00 25.00 N ATOM 0 H GLN A 6 1.811 -2.066 -8.271 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.506 -2.045 -9.865 1.00 25.00 H new ATOM 0 HB2 GLN A 6 -0.037 -1.640 -6.884 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.646 -1.708 -7.574 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.381 -3.950 -7.852 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.790 -3.860 -6.551 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -3.076 -3.878 -7.089 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -3.605 -4.726 -8.545 1.00 25.00 H new ATOM 109 N ILE A 7 0.340 0.769 -8.369 1.00 25.00 N ATOM 110 CA ILE A 7 0.087 2.194 -8.245 1.00 25.00 C ATOM 111 C ILE A 7 0.318 2.843 -9.609 1.00 25.00 C ATOM 112 O ILE A 7 -0.479 3.655 -10.063 1.00 25.00 O ATOM 113 CB ILE A 7 1.021 2.828 -7.184 1.00 25.00 C ATOM 114 CG1 ILE A 7 0.878 2.089 -5.830 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.702 4.338 -7.000 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.036 2.311 -4.879 1.00 25.00 C ATOM 0 H ILE A 7 1.169 0.445 -7.871 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.941 2.357 -7.920 1.00 25.00 H new ATOM 0 HB ILE A 7 2.048 2.731 -7.535 1.00 25.00 H new ATOM 0 HG12 ILE A 7 -0.043 2.414 -5.346 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.778 1.020 -6.020 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.370 4.762 -6.250 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.843 4.858 -7.948 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.331 4.454 -6.673 1.00 25.00 H new ATOM 0 HD11 ILE A 7 1.859 1.760 -3.955 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.959 1.959 -5.341 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.125 3.374 -4.656 1.00 25.00 H new ATOM 128 N MET A 8 1.393 2.437 -10.281 1.00 25.00 N ATOM 129 CA MET A 8 1.678 2.956 -11.618 1.00 25.00 C ATOM 130 C MET A 8 0.574 2.567 -12.597 1.00 25.00 C ATOM 131 O MET A 8 0.166 3.374 -13.409 1.00 25.00 O ATOM 132 CB MET A 8 3.026 2.440 -12.117 1.00 25.00 C ATOM 133 CG MET A 8 4.198 2.895 -11.260 1.00 25.00 C ATOM 134 SD MET A 8 5.781 2.383 -11.948 1.00 25.00 S ATOM 135 CE MET A 8 6.110 3.748 -13.109 1.00 25.00 C ATOM 0 H MET A 8 2.072 1.761 -9.930 1.00 25.00 H new ATOM 0 HA MET A 8 1.719 4.043 -11.556 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.004 1.350 -12.142 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.181 2.779 -13.141 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.178 3.981 -11.167 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.091 2.487 -10.255 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.060 3.575 -13.615 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.310 3.798 -13.847 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.157 4.689 -12.561 1.00 25.00 H new ATOM 145 N ALA A 9 0.058 1.352 -12.504 1.00 25.00 N ATOM 146 CA ALA A 9 -1.006 0.912 -13.410 1.00 25.00 C ATOM 147 C ALA A 9 -2.265 1.768 -13.218 1.00 25.00 C ATOM 148 O ALA A 9 -2.931 2.146 -14.184 1.00 25.00 O ATOM 149 CB ALA A 9 -1.320 -0.568 -13.167 1.00 25.00 C ATOM 0 H ALA A 9 0.351 0.655 -11.820 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.665 1.035 -14.438 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.112 -0.888 -13.844 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.425 -1.164 -13.347 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.646 -0.706 -12.136 1.00 25.00 H new ATOM 155 N ALA A 10 -2.578 2.094 -11.970 1.00 25.00 N ATOM 156 CA ALA A 10 -3.737 2.932 -11.681 1.00 25.00 C ATOM 157 C ALA A 10 -3.539 4.363 -12.215 1.00 25.00 C ATOM 158 O ALA A 10 -4.441 4.945 -12.818 1.00 25.00 O ATOM 159 CB ALA A 10 -3.996 2.945 -10.172 1.00 25.00 C ATOM 0 H ALA A 10 -2.052 1.795 -11.149 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.606 2.513 -12.189 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.862 3.571 -9.957 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.188 1.929 -9.827 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.123 3.344 -9.656 1.00 25.00 H new ATOM 165 N LEU A 11 -2.356 4.921 -11.999 1.00 25.00 N ATOM 166 CA LEU A 11 -2.038 6.267 -12.483 1.00 25.00 C ATOM 167 C LEU A 11 -2.057 6.301 -14.007 1.00 25.00 C ATOM 168 O LEU A 11 -2.560 7.255 -14.613 1.00 25.00 O ATOM 169 CB LEU A 11 -0.669 6.696 -11.975 1.00 25.00 C ATOM 170 CG LEU A 11 -0.590 7.016 -10.474 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.859 7.071 -10.047 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.296 8.332 -10.110 1.00 25.00 C ATOM 0 H LEU A 11 -1.597 4.466 -11.492 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.792 6.958 -12.106 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.046 5.904 -12.198 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.353 7.577 -12.534 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.111 6.220 -9.942 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.916 7.298 -8.982 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.332 6.108 -10.239 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.376 7.847 -10.612 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.208 8.507 -9.038 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.831 9.156 -10.652 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.349 8.267 -10.382 1.00 25.00 H new ATOM 184 N ASN A 12 -1.544 5.254 -14.624 1.00 25.00 N ATOM 185 CA ASN A 12 -1.519 5.174 -16.079 1.00 25.00 C ATOM 186 C ASN A 12 -2.936 5.137 -16.615 1.00 25.00 C ATOM 187 O ASN A 12 -3.220 5.725 -17.634 1.00 25.00 O ATOM 188 CB ASN A 12 -0.757 3.937 -16.561 1.00 25.00 C ATOM 189 CG ASN A 12 0.727 4.041 -16.319 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.221 5.036 -15.818 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.442 3.013 -16.673 1.00 25.00 N ATOM 0 H ASN A 12 -1.140 4.448 -14.147 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.003 6.058 -16.454 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.144 3.055 -16.051 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.939 3.795 -17.626 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.452 3.022 -16.534 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.992 2.198 -17.089 1.00 25.00 H new ATOM 198 N SER A 13 -3.848 4.477 -15.913 1.00 25.00 N ATOM 199 CA SER A 13 -5.244 4.409 -16.366 1.00 25.00 C ATOM 200 C SER A 13 -5.907 5.794 -16.339 1.00 25.00 C ATOM 201 O SER A 13 -6.729 6.105 -17.198 1.00 25.00 O ATOM 202 CB SER A 13 -6.047 3.459 -15.478 1.00 25.00 C ATOM 203 OG SER A 13 -7.335 3.250 -16.010 1.00 25.00 O ATOM 0 H SER A 13 -3.657 3.986 -15.040 1.00 25.00 H new ATOM 0 HA SER A 13 -5.236 4.040 -17.392 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.525 2.506 -15.391 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.126 3.872 -14.473 1.00 25.00 H new ATOM 0 HG SER A 13 -7.834 2.638 -15.429 1.00 25.00 H new ATOM 209 N GLN A 14 -5.541 6.619 -15.369 1.00 25.00 N ATOM 210 CA GLN A 14 -6.130 7.962 -15.227 1.00 25.00 C ATOM 211 C GLN A 14 -5.616 8.921 -16.295 1.00 25.00 C ATOM 212 O GLN A 14 -6.263 9.914 -16.611 1.00 25.00 O ATOM 213 CB GLN A 14 -5.785 8.547 -13.851 1.00 25.00 C ATOM 214 CG GLN A 14 -6.380 7.787 -12.673 1.00 25.00 C ATOM 215 CD GLN A 14 -5.866 8.296 -11.344 1.00 25.00 C ATOM 216 OE1 GLN A 14 -6.083 9.445 -10.978 1.00 25.00 O ATOM 217 NE2 GLN A 14 -5.198 7.448 -10.614 1.00 25.00 N ATOM 0 H GLN A 14 -4.840 6.391 -14.664 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.209 7.851 -15.339 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.701 8.570 -13.742 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.131 9.580 -13.813 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.466 7.875 -12.698 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.144 6.727 -12.770 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -5.037 6.499 -10.953 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -4.836 7.733 -9.704 1.00 25.00 H new ATOM 226 N THR A 15 -4.421 8.655 -16.818 1.00 25.00 N ATOM 227 CA THR A 15 -3.751 9.591 -17.725 1.00 25.00 C ATOM 228 C THR A 15 -3.619 9.071 -19.160 1.00 25.00 C ATOM 229 O THR A 15 -3.137 9.794 -20.036 1.00 25.00 O ATOM 230 CB THR A 15 -2.329 9.873 -17.206 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.620 8.636 -17.075 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.372 10.542 -15.830 1.00 25.00 C ATOM 0 H THR A 15 -3.895 7.801 -16.631 1.00 25.00 H new ATOM 0 HA THR A 15 -4.373 10.486 -17.747 1.00 25.00 H new ATOM 0 HB THR A 15 -1.833 10.535 -17.916 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.931 8.164 -16.275 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.355 10.731 -15.485 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.912 11.486 -15.901 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.879 9.886 -15.122 1.00 25.00 H new ATOM 240 N ALA A 16 -4.045 7.838 -19.394 1.00 25.00 N ATOM 241 CA ALA A 16 -3.866 7.189 -20.692 1.00 25.00 C ATOM 242 C ALA A 16 -4.318 8.057 -21.872 1.00 25.00 C ATOM 243 O ALA A 16 -3.520 8.380 -22.738 1.00 25.00 O ATOM 244 CB ALA A 16 -4.612 5.854 -20.705 1.00 25.00 C ATOM 0 H ALA A 16 -4.520 7.261 -18.700 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.796 7.027 -20.821 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.478 5.372 -21.673 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.217 5.209 -19.920 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.674 6.029 -20.531 1.00 25.00 H new ATOM 250 N VAL A 17 -5.593 8.410 -21.919 1.00 25.00 N ATOM 251 CA VAL A 17 -6.111 9.208 -23.038 1.00 25.00 C ATOM 252 C VAL A 17 -5.687 10.684 -22.923 1.00 25.00 C ATOM 253 O VAL A 17 -5.509 11.369 -23.927 1.00 25.00 O ATOM 254 CB VAL A 17 -7.672 9.058 -23.150 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.399 9.752 -21.979 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.169 9.578 -24.509 1.00 25.00 C ATOM 0 H VAL A 17 -6.285 8.165 -21.211 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.672 8.823 -23.959 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.911 7.996 -23.085 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.476 9.626 -22.093 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.079 9.307 -21.037 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.156 10.815 -21.979 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.252 9.466 -24.568 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.907 10.631 -24.614 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.701 9.006 -25.311 1.00 25.00 H new ATOM 266 N GLN A 18 -5.494 11.152 -21.696 1.00 25.00 N ATOM 267 CA GLN A 18 -5.129 12.558 -21.482 1.00 25.00 C ATOM 268 C GLN A 18 -3.767 12.862 -22.096 1.00 25.00 C ATOM 269 O GLN A 18 -3.609 13.805 -22.869 1.00 25.00 O ATOM 270 CB GLN A 18 -5.121 12.875 -19.987 1.00 25.00 C ATOM 271 CG GLN A 18 -5.032 14.373 -19.668 1.00 25.00 C ATOM 272 CD GLN A 18 -4.979 14.635 -18.179 1.00 25.00 C ATOM 273 OE1 GLN A 18 -3.931 14.896 -17.625 1.00 25.00 O ATOM 274 NE2 GLN A 18 -6.112 14.553 -17.526 1.00 25.00 N ATOM 0 H GLN A 18 -5.580 10.596 -20.845 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.871 13.187 -21.973 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.027 12.471 -19.535 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.278 12.364 -19.522 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.144 14.792 -20.141 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.893 14.886 -20.096 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.973 14.331 -18.025 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -6.133 14.711 -16.518 1.00 25.00 H new ATOM 283 N PHE A 19 -2.795 12.007 -21.816 1.00 25.00 N ATOM 284 CA PHE A 19 -1.454 12.174 -22.363 1.00 25.00 C ATOM 285 C PHE A 19 -1.434 11.790 -23.835 1.00 25.00 C ATOM 286 O PHE A 19 -0.605 12.271 -24.581 1.00 25.00 O ATOM 287 CB PHE A 19 -0.433 11.328 -21.591 1.00 25.00 C ATOM 288 CG PHE A 19 -0.185 11.776 -20.169 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.660 13.015 -19.674 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.564 10.954 -19.311 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.395 13.408 -18.332 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.837 11.341 -17.986 1.00 25.00 C ATOM 293 CZ PHE A 19 0.356 12.574 -17.490 1.00 25.00 C ATOM 0 H PHE A 19 -2.908 11.191 -21.214 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.178 13.224 -22.261 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.776 10.293 -21.577 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.513 11.343 -22.132 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.228 13.667 -20.321 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.937 10.008 -19.675 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.773 14.350 -17.961 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.417 10.693 -17.345 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.564 12.871 -16.473 1.00 25.00 H new ATOM 303 N GLN A 20 -2.362 10.954 -24.270 1.00 25.00 N ATOM 304 CA GLN A 20 -2.435 10.558 -25.672 1.00 25.00 C ATOM 305 C GLN A 20 -2.731 11.748 -26.577 1.00 25.00 C ATOM 306 O GLN A 20 -2.141 11.871 -27.637 1.00 25.00 O ATOM 307 CB GLN A 20 -3.496 9.473 -25.872 1.00 25.00 C ATOM 308 CG GLN A 20 -3.498 8.852 -27.260 1.00 25.00 C ATOM 309 CD GLN A 20 -4.533 7.753 -27.389 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.479 7.858 -28.146 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.380 6.708 -26.613 1.00 25.00 N ATOM 0 H GLN A 20 -3.077 10.535 -23.675 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.459 10.158 -25.948 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.339 8.686 -25.134 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.479 9.901 -25.676 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.696 9.625 -28.003 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.510 8.447 -27.477 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.575 6.650 -25.989 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.066 5.953 -26.633 1.00 25.00 H new ATOM 320 N GLN A 21 -3.616 12.648 -26.154 1.00 25.00 N ATOM 321 CA GLN A 21 -3.927 13.827 -26.971 1.00 25.00 C ATOM 322 C GLN A 21 -2.698 14.717 -27.100 1.00 25.00 C ATOM 323 O GLN A 21 -2.391 15.201 -28.175 1.00 25.00 O ATOM 324 CB GLN A 21 -5.086 14.637 -26.366 1.00 25.00 C ATOM 325 CG GLN A 21 -6.384 13.863 -26.246 1.00 25.00 C ATOM 326 CD GLN A 21 -6.868 13.320 -27.572 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.048 14.055 -28.527 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.071 12.030 -27.638 1.00 25.00 N ATOM 0 H GLN A 21 -4.123 12.590 -25.271 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.230 13.476 -27.958 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.792 14.989 -25.377 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.258 15.521 -26.981 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.246 13.036 -25.549 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.151 14.512 -25.823 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.910 11.446 -26.818 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -7.391 11.608 -28.510 1.00 25.00 H new ATOM 337 N TYR A 22 -1.972 14.884 -26.005 1.00 25.00 N ATOM 338 CA TYR A 22 -0.748 15.677 -26.011 1.00 25.00 C ATOM 339 C TYR A 22 0.315 15.015 -26.883 1.00 25.00 C ATOM 340 O TYR A 22 0.994 15.668 -27.668 1.00 25.00 O ATOM 341 CB TYR A 22 -0.222 15.820 -24.584 1.00 25.00 C ATOM 342 CG TYR A 22 1.125 16.493 -24.523 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.266 17.850 -24.869 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.274 15.769 -24.154 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.536 18.482 -24.838 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.546 16.395 -24.106 1.00 25.00 C ATOM 347 CZ TYR A 22 3.661 17.746 -24.448 1.00 25.00 C ATOM 348 OH TYR A 22 4.892 18.351 -24.403 1.00 25.00 O ATOM 0 H TYR A 22 -2.208 14.481 -25.098 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.973 16.662 -26.420 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.937 16.394 -23.994 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.151 14.833 -24.127 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.395 18.418 -25.162 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.186 14.722 -23.904 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.634 19.522 -25.113 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.419 15.833 -23.808 1.00 25.00 H new ATOM 0 HH TYR A 22 5.565 17.701 -24.112 1.00 25.00 H new ATOM 358 N ALA A 23 0.434 13.707 -26.782 1.00 25.00 N ATOM 359 CA ALA A 23 1.415 12.983 -27.565 1.00 25.00 C ATOM 360 C ALA A 23 1.098 13.084 -29.055 1.00 25.00 C ATOM 361 O ALA A 23 1.998 13.201 -29.866 1.00 25.00 O ATOM 362 CB ALA A 23 1.452 11.536 -27.123 1.00 25.00 C ATOM 0 H ALA A 23 -0.135 13.125 -26.167 1.00 25.00 H new ATOM 0 HA ALA A 23 2.396 13.428 -27.401 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.191 10.994 -27.714 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.722 11.485 -26.068 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.470 11.086 -27.268 1.00 25.00 H new ATOM 368 N ALA A 24 -0.184 13.050 -29.406 1.00 25.00 N ATOM 369 CA ALA A 24 -0.605 13.146 -30.801 1.00 25.00 C ATOM 370 C ALA A 24 -0.301 14.543 -31.338 1.00 25.00 C ATOM 371 O ALA A 24 -0.027 14.712 -32.523 1.00 25.00 O ATOM 372 CB ALA A 24 -2.108 12.825 -30.927 1.00 25.00 C ATOM 0 H ALA A 24 -0.952 12.956 -28.741 1.00 25.00 H new ATOM 0 HA ALA A 24 -0.051 12.418 -31.394 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.410 12.900 -31.972 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.295 11.813 -30.567 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.683 13.534 -30.332 1.00 25.00 H new ATOM 378 N GLN A 25 -0.336 15.537 -30.468 1.00 25.00 N ATOM 379 CA GLN A 25 -0.048 16.915 -30.859 1.00 25.00 C ATOM 380 C GLN A 25 1.445 17.101 -31.157 1.00 25.00 C ATOM 381 O GLN A 25 1.836 17.952 -31.954 1.00 25.00 O ATOM 382 CB GLN A 25 -0.484 17.857 -29.730 1.00 25.00 C ATOM 383 CG GLN A 25 -0.452 19.341 -30.076 1.00 25.00 C ATOM 384 CD GLN A 25 -0.958 20.211 -28.937 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.314 19.730 -27.875 1.00 25.00 O ATOM 386 NE2 GLN A 25 -0.986 21.497 -29.162 1.00 25.00 N ATOM 0 H GLN A 25 -0.562 15.419 -29.480 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.601 17.148 -31.769 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.497 17.592 -29.428 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.160 17.687 -28.867 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.568 19.631 -30.326 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.060 19.518 -30.963 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -0.680 21.864 -30.063 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -1.314 22.135 -28.436 1.00 25.00 H new ATOM 395 N GLN A 26 2.263 16.296 -30.498 1.00 25.00 N ATOM 396 CA GLN A 26 3.719 16.393 -30.601 1.00 25.00 C ATOM 397 C GLN A 26 4.289 15.491 -31.695 1.00 25.00 C ATOM 398 O GLN A 26 5.140 15.905 -32.479 1.00 25.00 O ATOM 399 CB GLN A 26 4.340 15.988 -29.257 1.00 25.00 C ATOM 400 CG GLN A 26 4.078 16.970 -28.099 1.00 25.00 C ATOM 401 CD GLN A 26 4.839 18.271 -28.244 1.00 25.00 C ATOM 402 OE1 GLN A 26 4.385 19.208 -28.886 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.991 18.342 -27.630 1.00 25.00 N ATOM 0 H GLN A 26 1.941 15.555 -29.875 1.00 25.00 H new ATOM 0 HA GLN A 26 3.963 17.424 -30.859 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.955 15.007 -28.977 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.417 15.883 -29.388 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.011 17.184 -28.045 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.356 16.496 -27.158 1.00 25.00 H new ATOM 0 HE21 GLN A 26 6.339 17.540 -27.104 1.00 25.00 H new ATOM 0 HE22 GLN A 26 6.542 19.199 -27.677 1.00 25.00 H new ATOM 412 N TYR A 27 3.815 14.253 -31.739 1.00 25.00 N ATOM 413 CA TYR A 27 4.264 13.281 -32.741 1.00 25.00 C ATOM 414 C TYR A 27 3.088 12.750 -33.554 1.00 25.00 C ATOM 415 O TYR A 27 2.728 11.571 -33.453 1.00 25.00 O ATOM 416 CB TYR A 27 4.996 12.123 -32.062 1.00 25.00 C ATOM 417 CG TYR A 27 6.225 12.552 -31.303 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.142 13.470 -31.866 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.491 12.039 -30.017 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.291 13.868 -31.153 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.647 12.441 -29.298 1.00 25.00 C ATOM 422 CZ TYR A 27 8.528 13.354 -29.879 1.00 25.00 C ATOM 423 OH TYR A 27 9.641 13.756 -29.183 1.00 25.00 O ATOM 0 H TYR A 27 3.115 13.892 -31.091 1.00 25.00 H new ATOM 0 HA TYR A 27 4.949 13.788 -33.421 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.312 11.623 -31.377 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.282 11.391 -32.818 1.00 25.00 H new ATOM 0 HD1 TYR A 27 6.960 13.870 -32.852 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.807 11.331 -29.573 1.00 25.00 H new ATOM 0 HE1 TYR A 27 8.985 14.569 -31.592 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.842 12.045 -28.313 1.00 25.00 H new ATOM 0 HH TYR A 27 9.662 13.308 -28.312 1.00 25.00 H new ATOM 433 N PRO A 28 2.451 13.614 -34.372 1.00 25.00 N ATOM 434 CA PRO A 28 1.303 13.079 -35.112 1.00 25.00 C ATOM 435 C PRO A 28 1.719 12.049 -36.165 1.00 25.00 C ATOM 436 O PRO A 28 2.762 12.166 -36.783 1.00 25.00 O ATOM 437 CB PRO A 28 0.694 14.336 -35.739 1.00 25.00 C ATOM 438 CG PRO A 28 1.841 15.225 -35.945 1.00 25.00 C ATOM 439 CD PRO A 28 2.668 15.037 -34.707 1.00 25.00 C ATOM 0 HA PRO A 28 0.603 12.532 -34.480 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.192 14.109 -36.679 1.00 25.00 H new ATOM 0 HB3 PRO A 28 -0.049 14.789 -35.082 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.398 14.957 -36.843 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.527 16.262 -36.062 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.721 15.252 -34.889 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.343 15.695 -33.901 1.00 25.00 H new ATOM 447 N GLY A 29 0.904 11.010 -36.324 1.00 25.00 N ATOM 448 CA GLY A 29 1.190 9.951 -37.286 1.00 25.00 C ATOM 449 C GLY A 29 2.160 8.891 -36.801 1.00 25.00 C ATOM 450 O GLY A 29 2.286 7.835 -37.415 1.00 25.00 O ATOM 0 H GLY A 29 0.040 10.879 -35.798 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.253 9.467 -37.560 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.592 10.403 -38.193 1.00 25.00 H new ATOM 454 N ASN A 30 2.846 9.133 -35.682 1.00 25.00 N ATOM 455 CA ASN A 30 3.830 8.180 -35.160 1.00 25.00 C ATOM 456 C ASN A 30 3.365 7.576 -33.844 1.00 25.00 C ATOM 457 O ASN A 30 3.748 8.039 -32.769 1.00 25.00 O ATOM 458 CB ASN A 30 5.182 8.865 -34.949 1.00 25.00 C ATOM 459 CG ASN A 30 5.966 9.023 -36.228 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.080 10.119 -36.749 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.525 7.950 -36.720 1.00 25.00 N ATOM 0 H ASN A 30 2.739 9.978 -35.121 1.00 25.00 H new ATOM 0 HA ASN A 30 3.936 7.383 -35.896 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.021 9.847 -34.504 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.770 8.285 -34.237 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.082 8.010 -37.572 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.404 7.052 -36.252 1.00 25.00 H new ATOM 468 N TYR A 31 2.577 6.510 -33.918 1.00 25.00 N ATOM 469 CA TYR A 31 2.068 5.825 -32.724 1.00 25.00 C ATOM 470 C TYR A 31 3.194 5.416 -31.779 1.00 25.00 C ATOM 471 O TYR A 31 3.079 5.607 -30.583 1.00 25.00 O ATOM 472 CB TYR A 31 1.277 4.579 -33.137 1.00 25.00 C ATOM 473 CG TYR A 31 1.108 3.575 -32.014 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.161 3.785 -30.987 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.903 2.409 -31.965 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.016 2.838 -29.931 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.755 1.467 -30.920 1.00 25.00 C ATOM 478 CZ TYR A 31 0.813 1.688 -29.912 1.00 25.00 C ATOM 479 OH TYR A 31 0.668 0.780 -28.890 1.00 25.00 O ATOM 0 H TYR A 31 2.272 6.094 -34.798 1.00 25.00 H new ATOM 0 HA TYR A 31 1.420 6.525 -32.196 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.293 4.884 -33.493 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.783 4.096 -33.973 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.458 4.670 -31.002 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.636 2.233 -32.738 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.708 3.008 -29.147 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.369 0.579 -30.901 1.00 25.00 H new ATOM 0 HH TYR A 31 1.293 0.036 -29.022 1.00 25.00 H new ATOM 489 N GLU A 32 4.282 4.882 -32.304 1.00 25.00 N ATOM 490 CA GLU A 32 5.384 4.450 -31.452 1.00 25.00 C ATOM 491 C GLU A 32 6.030 5.596 -30.682 1.00 25.00 C ATOM 492 O GLU A 32 6.269 5.482 -29.495 1.00 25.00 O ATOM 493 CB GLU A 32 6.439 3.720 -32.294 1.00 25.00 C ATOM 494 CG GLU A 32 6.955 4.499 -33.496 1.00 25.00 C ATOM 495 CD GLU A 32 7.855 3.660 -34.382 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.177 2.517 -34.011 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.265 4.177 -35.446 1.00 25.00 O ATOM 0 H GLU A 32 4.429 4.737 -33.303 1.00 25.00 H new ATOM 0 HA GLU A 32 4.963 3.773 -30.709 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.284 3.469 -31.653 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.015 2.779 -32.645 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.110 4.862 -34.081 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.504 5.375 -33.150 1.00 25.00 H new ATOM 504 N GLN A 33 6.254 6.725 -31.339 1.00 25.00 N ATOM 505 CA GLN A 33 6.869 7.886 -30.686 1.00 25.00 C ATOM 506 C GLN A 33 5.920 8.481 -29.675 1.00 25.00 C ATOM 507 O GLN A 33 6.323 8.908 -28.589 1.00 25.00 O ATOM 508 CB GLN A 33 7.212 8.961 -31.707 1.00 25.00 C ATOM 509 CG GLN A 33 8.240 8.538 -32.746 1.00 25.00 C ATOM 510 CD GLN A 33 9.589 8.197 -32.142 1.00 25.00 C ATOM 511 OE1 GLN A 33 9.990 8.751 -31.135 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.290 7.278 -32.760 1.00 25.00 N ATOM 0 H GLN A 33 6.022 6.868 -32.322 1.00 25.00 H new ATOM 0 HA GLN A 33 7.779 7.544 -30.193 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.298 9.262 -32.220 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.586 9.839 -31.180 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.863 7.672 -33.290 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.366 9.341 -33.472 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.921 6.835 -33.602 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.204 7.005 -32.399 1.00 25.00 H new ATOM 521 N GLN A 34 4.637 8.461 -29.998 1.00 25.00 N ATOM 522 CA GLN A 34 3.622 8.925 -29.068 1.00 25.00 C ATOM 523 C GLN A 34 3.703 8.094 -27.782 1.00 25.00 C ATOM 524 O GLN A 34 3.523 8.615 -26.689 1.00 25.00 O ATOM 525 CB GLN A 34 2.225 8.775 -29.676 1.00 25.00 C ATOM 526 CG GLN A 34 1.878 9.798 -30.711 1.00 25.00 C ATOM 527 CD GLN A 34 0.596 9.464 -31.444 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.200 8.660 -30.987 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.405 10.064 -32.582 1.00 25.00 N ATOM 0 H GLN A 34 4.276 8.130 -30.893 1.00 25.00 H new ATOM 0 HA GLN A 34 3.799 9.978 -28.850 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.143 7.784 -30.123 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.488 8.825 -28.875 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.778 10.773 -30.235 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.694 9.876 -31.429 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.095 10.730 -32.929 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.435 9.869 -33.127 1.00 25.00 H new ATOM 538 N GLN A 35 3.993 6.807 -27.906 1.00 25.00 N ATOM 539 CA GLN A 35 4.029 5.925 -26.731 1.00 25.00 C ATOM 540 C GLN A 35 5.288 6.167 -25.909 1.00 25.00 C ATOM 541 O GLN A 35 5.252 6.114 -24.683 1.00 25.00 O ATOM 542 CB GLN A 35 3.973 4.453 -27.161 1.00 25.00 C ATOM 543 CG GLN A 35 2.622 4.021 -27.693 1.00 25.00 C ATOM 544 CD GLN A 35 1.558 4.011 -26.627 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.698 3.385 -25.596 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.490 4.723 -26.873 1.00 25.00 N ATOM 0 H GLN A 35 4.205 6.348 -28.792 1.00 25.00 H new ATOM 0 HA GLN A 35 3.158 6.153 -26.117 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.727 4.280 -27.929 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.235 3.825 -26.309 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.320 4.693 -28.497 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.707 3.024 -28.126 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.410 5.235 -27.751 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.263 4.767 -26.187 1.00 25.00 H new ATOM 555 N ILE A 36 6.390 6.451 -26.573 1.00 25.00 N ATOM 556 CA ILE A 36 7.647 6.740 -25.887 1.00 25.00 C ATOM 557 C ILE A 36 7.452 7.973 -25.009 1.00 25.00 C ATOM 558 O ILE A 36 7.826 7.972 -23.829 1.00 25.00 O ATOM 559 CB ILE A 36 8.792 6.992 -26.919 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.052 5.715 -27.740 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.092 7.458 -26.217 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.891 5.945 -28.990 1.00 25.00 C ATOM 0 H ILE A 36 6.447 6.490 -27.591 1.00 25.00 H new ATOM 0 HA ILE A 36 7.930 5.885 -25.272 1.00 25.00 H new ATOM 0 HB ILE A 36 8.474 7.789 -27.591 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.554 4.984 -27.107 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.095 5.281 -28.031 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.869 7.625 -26.963 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.902 8.386 -25.678 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.421 6.692 -25.515 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.030 4.999 -29.514 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.381 6.651 -29.645 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.863 6.349 -28.707 1.00 25.00 H new ATOM 574 N LEU A 37 6.816 9.002 -25.561 1.00 25.00 N ATOM 575 CA LEU A 37 6.567 10.233 -24.817 1.00 25.00 C ATOM 576 C LEU A 37 5.683 9.981 -23.609 1.00 25.00 C ATOM 577 O LEU A 37 6.047 10.337 -22.500 1.00 25.00 O ATOM 578 CB LEU A 37 5.920 11.262 -25.752 1.00 25.00 C ATOM 579 CG LEU A 37 5.574 12.648 -25.173 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.777 13.327 -24.524 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.044 13.531 -26.303 1.00 25.00 C ATOM 0 H LEU A 37 6.464 9.008 -26.518 1.00 25.00 H new ATOM 0 HA LEU A 37 7.517 10.619 -24.448 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.590 11.411 -26.599 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.002 10.825 -26.145 1.00 25.00 H new ATOM 0 HG LEU A 37 4.823 12.509 -24.395 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.479 14.300 -24.133 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.149 12.706 -23.709 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.564 13.461 -25.266 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.795 14.516 -25.909 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.807 13.632 -27.075 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.152 13.076 -26.733 1.00 25.00 H new ATOM 593 N ILE A 38 4.557 9.320 -23.818 1.00 25.00 N ATOM 594 CA ILE A 38 3.620 9.020 -22.728 1.00 25.00 C ATOM 595 C ILE A 38 4.283 8.251 -21.591 1.00 25.00 C ATOM 596 O ILE A 38 4.083 8.588 -20.423 1.00 25.00 O ATOM 597 CB ILE A 38 2.381 8.220 -23.253 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.577 9.109 -24.219 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.471 7.752 -22.087 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.609 8.357 -25.129 1.00 25.00 C ATOM 0 H ILE A 38 4.261 8.977 -24.732 1.00 25.00 H new ATOM 0 HA ILE A 38 3.287 9.980 -22.335 1.00 25.00 H new ATOM 0 HB ILE A 38 2.740 7.331 -23.772 1.00 25.00 H new ATOM 0 HG12 ILE A 38 1.013 9.837 -23.636 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.275 9.670 -24.840 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.621 7.200 -22.488 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.040 7.106 -21.418 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.112 8.620 -21.535 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.089 9.067 -25.773 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.164 7.648 -25.744 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.118 7.818 -24.521 1.00 25.00 H new ATOM 612 N ARG A 39 5.110 7.261 -21.895 1.00 25.00 N ATOM 613 CA ARG A 39 5.781 6.501 -20.825 1.00 25.00 C ATOM 614 C ARG A 39 6.693 7.406 -20.006 1.00 25.00 C ATOM 615 O ARG A 39 6.742 7.291 -18.780 1.00 25.00 O ATOM 616 CB ARG A 39 6.572 5.335 -21.410 1.00 25.00 C ATOM 617 CG ARG A 39 5.686 4.173 -21.889 1.00 25.00 C ATOM 618 CD ARG A 39 6.518 2.928 -22.173 1.00 25.00 C ATOM 619 NE ARG A 39 7.495 3.135 -23.259 1.00 25.00 N ATOM 620 CZ ARG A 39 7.277 2.913 -24.553 1.00 25.00 C ATOM 621 NH1 ARG A 39 6.122 2.487 -25.002 1.00 25.00 N ATOM 622 NH2 ARG A 39 8.236 3.119 -25.404 1.00 25.00 N ATOM 0 H ARG A 39 5.335 6.963 -22.844 1.00 25.00 H new ATOM 0 HA ARG A 39 5.014 6.101 -20.162 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.170 5.695 -22.247 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.268 4.965 -20.658 1.00 25.00 H new ATOM 0 HG2 ARG A 39 4.936 3.947 -21.131 1.00 25.00 H new ATOM 0 HG3 ARG A 39 5.149 4.469 -22.790 1.00 25.00 H new ATOM 0 HD2 ARG A 39 7.046 2.633 -21.266 1.00 25.00 H new ATOM 0 HD3 ARG A 39 5.855 2.105 -22.438 1.00 25.00 H new ATOM 0 HE ARG A 39 8.418 3.478 -22.995 1.00 25.00 H new ATOM 0 HH11 ARG A 39 5.354 2.315 -24.353 1.00 25.00 H new ATOM 0 HH12 ARG A 39 5.991 2.328 -26.001 1.00 25.00 H new ATOM 0 HH21 ARG A 39 9.145 3.448 -25.078 1.00 25.00 H new ATOM 0 HH22 ARG A 39 8.080 2.952 -26.398 1.00 25.00 H new ATOM 636 N GLN A 40 7.380 8.328 -20.664 1.00 25.00 N ATOM 637 CA GLN A 40 8.273 9.250 -19.971 1.00 25.00 C ATOM 638 C GLN A 40 7.469 10.158 -19.027 1.00 25.00 C ATOM 639 O GLN A 40 7.890 10.430 -17.907 1.00 25.00 O ATOM 640 CB GLN A 40 9.038 10.110 -20.997 1.00 25.00 C ATOM 641 CG GLN A 40 10.222 10.863 -20.403 1.00 25.00 C ATOM 642 CD GLN A 40 11.357 9.937 -20.039 1.00 25.00 C ATOM 643 OE1 GLN A 40 12.102 9.486 -20.896 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.480 9.629 -18.775 1.00 25.00 N ATOM 0 H GLN A 40 7.338 8.459 -21.675 1.00 25.00 H new ATOM 0 HA GLN A 40 8.987 8.673 -19.383 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.394 9.468 -21.803 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.349 10.827 -21.442 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.575 11.605 -21.119 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.898 11.405 -19.515 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.838 10.026 -18.089 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.218 8.992 -18.475 1.00 25.00 H new ATOM 653 N LEU A 41 6.297 10.601 -19.476 1.00 25.00 N ATOM 654 CA LEU A 41 5.445 11.477 -18.657 1.00 25.00 C ATOM 655 C LEU A 41 4.959 10.748 -17.407 1.00 25.00 C ATOM 656 O LEU A 41 4.917 11.309 -16.311 1.00 25.00 O ATOM 657 CB LEU A 41 4.212 11.954 -19.456 1.00 25.00 C ATOM 658 CG LEU A 41 4.423 12.721 -20.768 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.070 12.992 -21.410 1.00 25.00 C ATOM 660 CD2 LEU A 41 5.186 14.005 -20.611 1.00 25.00 C ATOM 0 H LEU A 41 5.913 10.374 -20.393 1.00 25.00 H new ATOM 0 HA LEU A 41 6.050 12.337 -18.370 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.608 11.076 -19.683 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.619 12.588 -18.797 1.00 25.00 H new ATOM 0 HG LEU A 41 5.039 12.088 -21.407 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.213 13.537 -22.343 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.569 12.046 -21.615 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.458 13.587 -20.732 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.292 14.486 -21.583 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.647 14.668 -19.935 1.00 25.00 H new ATOM 0 HD23 LEU A 41 6.173 13.794 -20.201 1.00 25.00 H new ATOM 672 N GLN A 42 4.573 9.494 -17.585 1.00 25.00 N ATOM 673 CA GLN A 42 4.004 8.686 -16.497 1.00 25.00 C ATOM 674 C GLN A 42 5.054 8.359 -15.439 1.00 25.00 C ATOM 675 O GLN A 42 4.743 8.349 -14.243 1.00 25.00 O ATOM 676 CB GLN A 42 3.398 7.414 -17.086 1.00 25.00 C ATOM 677 CG GLN A 42 2.097 7.688 -17.868 1.00 25.00 C ATOM 678 CD GLN A 42 1.558 6.480 -18.609 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.292 5.578 -18.992 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.274 6.497 -18.878 1.00 25.00 N ATOM 0 H GLN A 42 4.641 9.003 -18.477 1.00 25.00 H new ATOM 0 HA GLN A 42 3.222 9.259 -15.999 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.124 6.942 -17.748 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.193 6.707 -16.282 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.336 8.045 -17.174 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.277 8.490 -18.584 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.307 7.265 -18.542 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.143 5.742 -19.423 1.00 25.00 H new ATOM 689 N GLU A 43 6.293 8.150 -15.862 1.00 25.00 N ATOM 690 CA GLU A 43 7.381 7.892 -14.925 1.00 25.00 C ATOM 691 C GLU A 43 7.615 9.115 -14.030 1.00 25.00 C ATOM 692 O GLU A 43 7.753 8.998 -12.808 1.00 25.00 O ATOM 693 CB GLU A 43 8.655 7.538 -15.692 1.00 25.00 C ATOM 694 CG GLU A 43 9.802 7.074 -14.796 1.00 25.00 C ATOM 695 CD GLU A 43 10.974 6.561 -15.609 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.505 7.320 -16.451 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.349 5.387 -15.420 1.00 25.00 O ATOM 0 H GLU A 43 6.571 8.154 -16.843 1.00 25.00 H new ATOM 0 HA GLU A 43 7.109 7.049 -14.289 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.428 6.753 -16.413 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.980 8.409 -16.261 1.00 25.00 H new ATOM 0 HG2 GLU A 43 10.130 7.901 -14.166 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.448 6.287 -14.130 1.00 25.00 H new ATOM 704 N GLN A 44 7.597 10.299 -14.618 1.00 25.00 N ATOM 705 CA GLN A 44 7.777 11.532 -13.852 1.00 25.00 C ATOM 706 C GLN A 44 6.562 11.812 -12.945 1.00 25.00 C ATOM 707 O GLN A 44 6.710 12.305 -11.819 1.00 25.00 O ATOM 708 CB GLN A 44 8.026 12.708 -14.811 1.00 25.00 C ATOM 709 CG GLN A 44 8.441 13.991 -14.105 1.00 25.00 C ATOM 710 CD GLN A 44 9.730 13.834 -13.318 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.785 13.598 -13.871 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.643 13.979 -12.022 1.00 25.00 N ATOM 0 H GLN A 44 7.460 10.438 -15.619 1.00 25.00 H new ATOM 0 HA GLN A 44 8.645 11.412 -13.204 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.802 12.427 -15.523 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.119 12.896 -15.386 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.564 14.784 -14.843 1.00 25.00 H new ATOM 0 HG3 GLN A 44 7.644 14.304 -13.431 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.740 14.177 -11.590 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.478 13.894 -11.442 1.00 25.00 H new ATOM 721 N HIS A 45 5.373 11.485 -13.417 1.00 25.00 N ATOM 722 CA HIS A 45 4.149 11.659 -12.640 1.00 25.00 C ATOM 723 C HIS A 45 4.168 10.770 -11.387 1.00 25.00 C ATOM 724 O HIS A 45 3.662 11.151 -10.325 1.00 25.00 O ATOM 725 CB HIS A 45 2.933 11.309 -13.498 1.00 25.00 C ATOM 726 CG HIS A 45 1.659 11.942 -13.035 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.052 11.693 -11.829 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.860 12.857 -13.649 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.051 12.437 -11.760 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.219 13.159 -12.843 1.00 25.00 N ATOM 0 H HIS A 45 5.223 11.092 -14.346 1.00 25.00 H new ATOM 0 HA HIS A 45 4.087 12.701 -12.327 1.00 25.00 H new ATOM 0 HB2 HIS A 45 3.126 11.615 -14.526 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.807 10.226 -13.506 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.043 13.284 -14.624 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.725 12.445 -10.916 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -0.983 13.804 -13.045 1.00 25.00 H new ATOM 738 N TYR A 46 4.774 9.602 -11.505 1.00 25.00 N ATOM 739 CA TYR A 46 4.882 8.681 -10.369 1.00 25.00 C ATOM 740 C TYR A 46 5.670 9.305 -9.217 1.00 25.00 C ATOM 741 O TYR A 46 5.342 9.100 -8.043 1.00 25.00 O ATOM 742 CB TYR A 46 5.562 7.386 -10.811 1.00 25.00 C ATOM 743 CG TYR A 46 5.518 6.304 -9.760 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.290 5.841 -9.255 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.709 5.732 -9.252 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.237 4.827 -8.279 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.659 4.705 -8.270 1.00 25.00 C ATOM 748 CZ TYR A 46 5.418 4.268 -7.790 1.00 25.00 C ATOM 749 OH TYR A 46 5.377 3.278 -6.839 1.00 25.00 O ATOM 0 H TYR A 46 5.199 9.263 -12.368 1.00 25.00 H new ATOM 0 HA TYR A 46 3.873 8.466 -10.016 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.081 7.022 -11.719 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.601 7.597 -11.064 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.370 6.271 -9.623 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.665 6.079 -9.614 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.283 4.482 -7.909 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.572 4.265 -7.897 1.00 25.00 H new ATOM 0 HH TYR A 46 4.554 2.756 -6.945 1.00 25.00 H new ATOM 759 N GLN A 47 6.673 10.103 -9.540 1.00 25.00 N ATOM 760 CA GLN A 47 7.468 10.776 -8.514 1.00 25.00 C ATOM 761 C GLN A 47 6.613 11.712 -7.658 1.00 25.00 C ATOM 762 O GLN A 47 6.770 11.763 -6.446 1.00 25.00 O ATOM 763 CB GLN A 47 8.618 11.564 -9.169 1.00 25.00 C ATOM 764 CG GLN A 47 10.007 10.992 -8.898 1.00 25.00 C ATOM 765 CD GLN A 47 10.608 11.504 -7.600 1.00 25.00 C ATOM 766 OE1 GLN A 47 9.961 11.537 -6.570 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.850 11.910 -7.656 1.00 25.00 N ATOM 0 H GLN A 47 6.959 10.303 -10.498 1.00 25.00 H new ATOM 0 HA GLN A 47 7.880 10.009 -7.858 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.454 11.594 -10.246 1.00 25.00 H new ATOM 0 HB3 GLN A 47 8.586 12.594 -8.813 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.947 9.904 -8.862 1.00 25.00 H new ATOM 0 HG3 GLN A 47 10.669 11.247 -9.726 1.00 25.00 H new ATOM 0 HE21 GLN A 47 12.361 11.867 -8.538 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.307 12.269 -6.818 1.00 25.00 H new ATOM 776 N GLN A 48 5.674 12.421 -8.288 1.00 25.00 N ATOM 777 CA GLN A 48 4.803 13.326 -7.551 1.00 25.00 C ATOM 778 C GLN A 48 3.948 12.539 -6.564 1.00 25.00 C ATOM 779 O GLN A 48 3.794 12.942 -5.413 1.00 25.00 O ATOM 780 CB GLN A 48 3.879 14.098 -8.502 1.00 25.00 C ATOM 781 CG GLN A 48 3.018 15.158 -7.798 1.00 25.00 C ATOM 782 CD GLN A 48 2.143 15.921 -8.765 1.00 25.00 C ATOM 783 OE1 GLN A 48 1.899 15.489 -9.874 1.00 25.00 O ATOM 784 NE2 GLN A 48 1.659 17.062 -8.338 1.00 25.00 N ATOM 0 H GLN A 48 5.502 12.385 -9.293 1.00 25.00 H new ATOM 0 HA GLN A 48 5.435 14.035 -7.016 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.484 14.583 -9.268 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.225 13.391 -9.013 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.391 14.675 -7.048 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.666 15.857 -7.269 1.00 25.00 H new ATOM 0 HE21 GLN A 48 1.886 17.393 -7.400 1.00 25.00 H new ATOM 0 HE22 GLN A 48 1.056 17.619 -8.944 1.00 25.00 H new ATOM 793 N TYR A 49 3.427 11.409 -6.997 1.00 25.00 N ATOM 794 CA TYR A 49 2.610 10.566 -6.121 1.00 25.00 C ATOM 795 C TYR A 49 3.419 10.026 -4.953 1.00 25.00 C ATOM 796 O TYR A 49 2.939 9.985 -3.825 1.00 25.00 O ATOM 797 CB TYR A 49 2.009 9.413 -6.909 1.00 25.00 C ATOM 798 CG TYR A 49 0.867 8.733 -6.196 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.437 9.267 -6.253 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.072 7.550 -5.464 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.518 8.634 -5.585 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.013 6.915 -4.791 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.286 7.475 -4.855 1.00 25.00 C ATOM 804 OH TYR A 49 -2.313 6.870 -4.183 1.00 25.00 O ATOM 0 H TYR A 49 3.548 11.047 -7.943 1.00 25.00 H new ATOM 0 HA TYR A 49 1.809 11.187 -5.720 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.657 9.784 -7.872 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.788 8.679 -7.116 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.616 10.172 -6.814 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.061 7.118 -5.411 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.513 9.050 -5.644 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.152 6.004 -4.234 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.978 6.071 -3.725 1.00 25.00 H new ATOM 814 N MET A 50 4.660 9.639 -5.212 1.00 25.00 N ATOM 815 CA MET A 50 5.520 9.105 -4.158 1.00 25.00 C ATOM 816 C MET A 50 5.808 10.164 -3.094 1.00 25.00 C ATOM 817 O MET A 50 5.786 9.868 -1.898 1.00 25.00 O ATOM 818 CB MET A 50 6.833 8.590 -4.761 1.00 25.00 C ATOM 819 CG MET A 50 7.402 7.376 -4.041 1.00 25.00 C ATOM 820 SD MET A 50 6.980 5.799 -4.849 1.00 25.00 S ATOM 821 CE MET A 50 5.194 5.678 -4.588 1.00 25.00 C ATOM 0 H MET A 50 5.094 9.683 -6.134 1.00 25.00 H new ATOM 0 HA MET A 50 4.998 8.277 -3.679 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.667 8.336 -5.808 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.571 9.392 -4.741 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.487 7.470 -3.986 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.031 7.362 -3.016 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.873 4.647 -4.739 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.953 5.988 -3.571 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.678 6.326 -5.297 1.00 25.00 H new