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 180:sc=-0.00304 USER MOD Set 1.2: A 50 MET CE :methyl -167:sc= -0.311 (180deg=-0.473) USER MOD Set 2.1: A 12 ASN : amide:sc= 1.28 K(o=0.99,f=-0.27) USER MOD Set 2.2: A 15 THR OG1 : rot 103:sc= 0.023 USER MOD Set 2.3: A 42 GLN : amide:sc= -0.313 X(o=0.99,f=0.99) USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00438) USER MOD Single : A 5 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.7) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.2) 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= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 26 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.032) 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= -0.0346 X(o=-0.035,f=-0.35) USER MOD Single : A 34 GLN : amide:sc= 1.02 K(o=1,f=-0.76) USER MOD Single : A 35 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.21) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.029) USER MOD Single : A 48 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 5.795 -0.518 -6.133 1.00 25.00 N ATOM 54 CA LYS A 4 5.556 0.724 -6.874 1.00 25.00 C ATOM 55 C LYS A 4 4.898 0.530 -8.248 1.00 25.00 C ATOM 56 O LYS A 4 4.111 1.352 -8.693 1.00 25.00 O ATOM 57 CB LYS A 4 6.870 1.493 -7.047 1.00 25.00 C ATOM 58 CG LYS A 4 7.446 2.023 -5.740 1.00 25.00 C ATOM 59 CD LYS A 4 8.563 3.038 -5.989 1.00 25.00 C ATOM 60 CE LYS A 4 9.107 3.595 -4.663 1.00 25.00 C ATOM 61 NZ LYS A 4 9.882 2.567 -3.876 1.00 25.00 N ATOM 0 HA LYS A 4 4.846 1.290 -6.272 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.604 0.839 -7.519 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.705 2.329 -7.726 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.653 2.489 -5.155 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.833 1.193 -5.149 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.371 2.565 -6.548 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.186 3.855 -6.604 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.751 4.450 -4.869 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.277 3.960 -4.058 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.255 3.003 -3.008 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 9.254 1.777 -3.624 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.672 2.212 -4.452 1.00 25.00 H new ATOM 75 N GLN A 5 5.220 -0.563 -8.915 1.00 25.00 N ATOM 76 CA GLN A 5 4.678 -0.838 -10.242 1.00 25.00 C ATOM 77 C GLN A 5 3.157 -1.019 -10.240 1.00 25.00 C ATOM 78 O GLN A 5 2.497 -0.689 -11.213 1.00 25.00 O ATOM 79 CB GLN A 5 5.339 -2.072 -10.834 1.00 25.00 C ATOM 80 CG GLN A 5 6.610 -1.751 -11.624 1.00 25.00 C ATOM 81 CD GLN A 5 7.630 -0.959 -10.815 1.00 25.00 C ATOM 82 OE1 GLN A 5 7.939 -1.289 -9.675 1.00 25.00 O ATOM 83 NE2 GLN A 5 8.143 0.087 -11.397 1.00 25.00 N ATOM 0 H GLN A 5 5.855 -1.279 -8.562 1.00 25.00 H new ATOM 0 HA GLN A 5 4.898 0.036 -10.856 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.583 -2.767 -10.031 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.630 -2.578 -11.489 1.00 25.00 H new ATOM 0 HG2 GLN A 5 7.066 -2.682 -11.962 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.343 -1.185 -12.516 1.00 25.00 H new ATOM 0 HE21 GLN A 5 7.862 0.331 -12.347 1.00 25.00 H new ATOM 0 HE22 GLN A 5 8.826 0.662 -10.903 1.00 25.00 H new ATOM 92 N GLN A 6 2.582 -1.467 -9.128 1.00 25.00 N ATOM 93 CA GLN A 6 1.115 -1.587 -9.051 1.00 25.00 C ATOM 94 C GLN A 6 0.474 -0.205 -9.127 1.00 25.00 C ATOM 95 O GLN A 6 -0.550 -0.005 -9.771 1.00 25.00 O ATOM 96 CB GLN A 6 0.704 -2.215 -7.728 1.00 25.00 C ATOM 97 CG GLN A 6 1.093 -3.686 -7.547 1.00 25.00 C ATOM 98 CD GLN A 6 0.116 -4.645 -8.201 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.100 -4.614 -9.398 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.475 -5.507 -7.413 1.00 25.00 N ATOM 0 H GLN A 6 3.085 -1.748 -8.286 1.00 25.00 H new ATOM 0 HA GLN A 6 0.785 -2.209 -9.883 1.00 25.00 H new ATOM 0 HB2 GLN A 6 1.149 -1.637 -6.918 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.378 -2.128 -7.625 1.00 25.00 H new ATOM 0 HG2 GLN A 6 2.086 -3.847 -7.966 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.156 -3.911 -6.482 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.272 -5.507 -6.413 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.139 -6.179 -7.799 1.00 25.00 H new ATOM 109 N ILE A 7 1.095 0.753 -8.458 1.00 25.00 N ATOM 110 CA ILE A 7 0.586 2.107 -8.390 1.00 25.00 C ATOM 111 C ILE A 7 0.691 2.740 -9.773 1.00 25.00 C ATOM 112 O ILE A 7 -0.233 3.397 -10.237 1.00 25.00 O ATOM 113 CB ILE A 7 1.393 2.940 -7.368 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.388 2.216 -5.992 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.781 4.347 -7.214 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.401 2.752 -5.011 1.00 25.00 C ATOM 0 H ILE A 7 1.967 0.610 -7.948 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.455 2.086 -8.067 1.00 25.00 H new ATOM 0 HB ILE A 7 2.417 3.042 -7.727 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.394 2.299 -5.553 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.578 1.155 -6.151 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.362 4.919 -6.491 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.796 4.858 -8.177 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.248 4.260 -6.865 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.333 2.194 -4.077 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.403 2.644 -5.427 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.200 3.806 -4.819 1.00 25.00 H new ATOM 128 N MET A 8 1.792 2.460 -10.453 1.00 25.00 N ATOM 129 CA MET A 8 1.984 2.955 -11.811 1.00 25.00 C ATOM 130 C MET A 8 0.950 2.333 -12.764 1.00 25.00 C ATOM 131 O MET A 8 0.457 3.017 -13.664 1.00 25.00 O ATOM 132 CB MET A 8 3.407 2.632 -12.305 1.00 25.00 C ATOM 133 CG MET A 8 4.479 3.362 -11.522 1.00 25.00 C ATOM 134 SD MET A 8 6.136 3.036 -12.155 1.00 25.00 S ATOM 135 CE MET A 8 6.252 4.263 -13.521 1.00 25.00 C ATOM 0 H MET A 8 2.562 1.897 -10.092 1.00 25.00 H new ATOM 0 HA MET A 8 1.848 4.036 -11.801 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.577 1.558 -12.231 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.490 2.896 -13.359 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.284 4.434 -11.557 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.428 3.063 -10.475 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.225 4.178 -14.005 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.466 4.070 -14.251 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.134 5.269 -13.118 1.00 25.00 H new ATOM 145 N ALA A 9 0.615 1.059 -12.567 1.00 25.00 N ATOM 146 CA ALA A 9 -0.371 0.415 -13.409 1.00 25.00 C ATOM 147 C ALA A 9 -1.752 1.033 -13.203 1.00 25.00 C ATOM 148 O ALA A 9 -2.493 1.239 -14.168 1.00 25.00 O ATOM 149 CB ALA A 9 -0.407 -1.103 -13.105 1.00 25.00 C ATOM 0 H ALA A 9 1.011 0.465 -11.839 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.089 0.564 -14.451 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.150 -1.584 -13.741 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.574 -1.537 -13.301 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -0.670 -1.258 -12.059 1.00 25.00 H new ATOM 155 N ALA A 10 -2.085 1.373 -11.965 1.00 25.00 N ATOM 156 CA ALA A 10 -3.374 1.998 -11.669 1.00 25.00 C ATOM 157 C ALA A 10 -3.467 3.364 -12.369 1.00 25.00 C ATOM 158 O ALA A 10 -4.478 3.690 -12.986 1.00 25.00 O ATOM 159 CB ALA A 10 -3.520 2.168 -10.148 1.00 25.00 C ATOM 0 H ALA A 10 -1.487 1.229 -11.152 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.180 1.363 -12.037 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.480 2.634 -9.924 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.469 1.192 -9.666 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.714 2.800 -9.773 1.00 25.00 H new ATOM 165 N LEU A 11 -2.393 4.146 -12.287 1.00 25.00 N ATOM 166 CA LEU A 11 -2.362 5.469 -12.915 1.00 25.00 C ATOM 167 C LEU A 11 -2.412 5.385 -14.451 1.00 25.00 C ATOM 168 O LEU A 11 -3.033 6.238 -15.087 1.00 25.00 O ATOM 169 CB LEU A 11 -1.110 6.242 -12.481 1.00 25.00 C ATOM 170 CG LEU A 11 -1.114 6.791 -11.038 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.267 7.344 -10.690 1.00 25.00 C ATOM 172 CD2 LEU A 11 -2.147 7.886 -10.861 1.00 25.00 C ATOM 0 H LEU A 11 -1.536 3.891 -11.796 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.253 6.000 -12.580 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.246 5.587 -12.596 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.969 7.079 -13.165 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.368 5.967 -10.371 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.258 7.730 -9.671 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.008 6.549 -10.770 1.00 25.00 H new ATOM 0 HD13 LEU A 11 0.521 8.148 -11.380 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -2.121 8.248 -9.833 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.926 8.708 -11.541 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -3.138 7.490 -11.081 1.00 25.00 H new ATOM 184 N ASN A 12 -1.815 4.351 -15.037 1.00 25.00 N ATOM 185 CA ASN A 12 -1.826 4.154 -16.500 1.00 25.00 C ATOM 186 C ASN A 12 -3.258 4.129 -17.024 1.00 25.00 C ATOM 187 O ASN A 12 -3.551 4.697 -18.061 1.00 25.00 O ATOM 188 CB ASN A 12 -1.153 2.827 -16.869 1.00 25.00 C ATOM 189 CG ASN A 12 0.256 3.004 -17.359 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.518 3.017 -18.560 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.176 3.119 -16.458 1.00 25.00 N ATOM 0 H ASN A 12 -1.312 3.627 -14.525 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.280 4.983 -16.951 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.150 2.172 -15.998 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.741 2.329 -17.640 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.152 3.224 -16.736 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.926 3.104 -15.469 1.00 25.00 H new ATOM 198 N SER A 13 -4.151 3.460 -16.305 1.00 25.00 N ATOM 199 CA SER A 13 -5.524 3.336 -16.766 1.00 25.00 C ATOM 200 C SER A 13 -6.220 4.692 -16.781 1.00 25.00 C ATOM 201 O SER A 13 -7.045 4.970 -17.636 1.00 25.00 O ATOM 202 CB SER A 13 -6.293 2.361 -15.868 1.00 25.00 C ATOM 203 OG SER A 13 -7.570 2.066 -16.418 1.00 25.00 O ATOM 0 H SER A 13 -3.952 3.003 -15.415 1.00 25.00 H new ATOM 0 HA SER A 13 -5.508 2.950 -17.785 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.721 1.440 -15.751 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.411 2.792 -14.874 1.00 25.00 H new ATOM 0 HG SER A 13 -8.043 1.441 -15.830 1.00 25.00 H new ATOM 209 N GLN A 14 -5.875 5.547 -15.820 1.00 25.00 N ATOM 210 CA GLN A 14 -6.510 6.849 -15.702 1.00 25.00 C ATOM 211 C GLN A 14 -6.027 7.851 -16.745 1.00 25.00 C ATOM 212 O GLN A 14 -6.813 8.605 -17.311 1.00 25.00 O ATOM 213 CB GLN A 14 -6.256 7.438 -14.306 1.00 25.00 C ATOM 214 CG GLN A 14 -6.720 6.545 -13.148 1.00 25.00 C ATOM 215 CD GLN A 14 -8.191 6.138 -13.238 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.519 4.974 -13.280 1.00 25.00 O ATOM 217 NE2 GLN A 14 -9.064 7.105 -13.247 1.00 25.00 N ATOM 0 H GLN A 14 -5.161 5.358 -15.116 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.574 6.681 -15.868 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.189 7.631 -14.195 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.763 8.400 -14.233 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -6.104 5.646 -13.125 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.554 7.070 -12.207 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -8.751 8.075 -13.210 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -10.061 6.892 -13.291 1.00 25.00 H new ATOM 226 N THR A 15 -4.715 7.908 -16.957 1.00 25.00 N ATOM 227 CA THR A 15 -4.128 8.924 -17.836 1.00 25.00 C ATOM 228 C THR A 15 -4.081 8.535 -19.313 1.00 25.00 C ATOM 229 O THR A 15 -3.597 9.306 -20.143 1.00 25.00 O ATOM 230 CB THR A 15 -2.670 9.239 -17.405 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.915 8.025 -17.300 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.642 9.909 -16.036 1.00 25.00 C ATOM 0 H THR A 15 -4.040 7.269 -16.537 1.00 25.00 H new ATOM 0 HA THR A 15 -4.787 9.786 -17.732 1.00 25.00 H new ATOM 0 HB THR A 15 -2.242 9.901 -18.158 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.337 7.930 -18.086 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.610 10.120 -15.755 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.205 10.841 -16.076 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.091 9.245 -15.297 1.00 25.00 H new ATOM 240 N ALA A 16 -4.548 7.333 -19.628 1.00 25.00 N ATOM 241 CA ALA A 16 -4.417 6.743 -20.970 1.00 25.00 C ATOM 242 C ALA A 16 -4.715 7.698 -22.142 1.00 25.00 C ATOM 243 O ALA A 16 -3.819 8.107 -22.877 1.00 25.00 O ATOM 244 CB ALA A 16 -5.317 5.504 -21.057 1.00 25.00 C ATOM 0 H ALA A 16 -5.032 6.731 -18.962 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.364 6.485 -21.084 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.228 5.058 -22.048 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -5.011 4.778 -20.304 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.353 5.794 -20.881 1.00 25.00 H new ATOM 250 N VAL A 17 -5.977 8.063 -22.315 1.00 25.00 N ATOM 251 CA VAL A 17 -6.360 8.927 -23.444 1.00 25.00 C ATOM 252 C VAL A 17 -5.935 10.369 -23.198 1.00 25.00 C ATOM 253 O VAL A 17 -5.742 11.144 -24.148 1.00 25.00 O ATOM 254 CB VAL A 17 -7.881 8.814 -23.766 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.736 9.567 -22.737 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.180 9.341 -25.171 1.00 25.00 C ATOM 0 H VAL A 17 -6.747 7.786 -21.706 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.826 8.576 -24.327 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.141 7.757 -23.718 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.790 9.465 -22.995 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.563 9.149 -21.745 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.462 10.622 -22.739 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.247 9.252 -25.373 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.884 10.388 -25.238 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.622 8.759 -25.904 1.00 25.00 H new ATOM 266 N GLN A 18 -5.777 10.728 -21.929 1.00 25.00 N ATOM 267 CA GLN A 18 -5.408 12.096 -21.577 1.00 25.00 C ATOM 268 C GLN A 18 -4.020 12.439 -22.100 1.00 25.00 C ATOM 269 O GLN A 18 -3.823 13.458 -22.774 1.00 25.00 O ATOM 270 CB GLN A 18 -5.450 12.256 -20.067 1.00 25.00 C ATOM 271 CG GLN A 18 -5.284 13.697 -19.602 1.00 25.00 C ATOM 272 CD GLN A 18 -5.408 13.833 -18.097 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.999 12.957 -17.330 1.00 25.00 O ATOM 274 NE2 GLN A 18 -6.025 14.924 -17.664 1.00 25.00 N ATOM 0 H GLN A 18 -5.897 10.100 -21.134 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.120 12.780 -22.039 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.399 11.870 -19.695 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.663 11.647 -19.623 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.310 14.069 -19.919 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.036 14.321 -20.084 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.348 15.625 -18.330 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -6.176 15.062 -16.665 1.00 25.00 H new ATOM 283 N PHE A 19 -3.050 11.568 -21.820 1.00 25.00 N ATOM 284 CA PHE A 19 -1.673 11.822 -22.250 1.00 25.00 C ATOM 285 C PHE A 19 -1.534 11.542 -23.738 1.00 25.00 C ATOM 286 O PHE A 19 -0.662 12.097 -24.397 1.00 25.00 O ATOM 287 CB PHE A 19 -0.680 10.972 -21.437 1.00 25.00 C ATOM 288 CG PHE A 19 -0.459 11.450 -19.991 1.00 25.00 C ATOM 289 CD1 PHE A 19 -1.070 12.622 -19.473 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.400 10.708 -19.147 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.811 13.044 -18.145 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.651 11.120 -17.818 1.00 25.00 C ATOM 293 CZ PHE A 19 0.046 12.288 -17.319 1.00 25.00 C ATOM 0 H PHE A 19 -3.186 10.697 -21.308 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.438 12.871 -22.069 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.037 9.942 -21.414 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.280 10.965 -21.954 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.738 13.197 -20.097 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.872 9.812 -19.524 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.270 13.945 -17.766 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.307 10.539 -17.187 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.238 12.605 -16.305 1.00 25.00 H new ATOM 303 N GLN A 20 -2.431 10.732 -24.294 1.00 25.00 N ATOM 304 CA GLN A 20 -2.418 10.449 -25.729 1.00 25.00 C ATOM 305 C GLN A 20 -2.651 11.720 -26.555 1.00 25.00 C ATOM 306 O GLN A 20 -2.010 11.913 -27.577 1.00 25.00 O ATOM 307 CB GLN A 20 -3.477 9.401 -26.058 1.00 25.00 C ATOM 308 CG GLN A 20 -3.404 8.829 -27.461 1.00 25.00 C ATOM 309 CD GLN A 20 -4.512 7.813 -27.698 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.488 8.096 -28.356 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.364 6.648 -27.142 1.00 25.00 N ATOM 0 H GLN A 20 -3.173 10.261 -23.777 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.433 10.063 -25.990 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.389 8.582 -25.344 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.462 9.845 -25.915 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.484 9.635 -28.190 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.434 8.356 -27.614 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.527 6.447 -26.595 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.085 5.935 -27.253 1.00 25.00 H new ATOM 320 N GLN A 21 -3.531 12.596 -26.084 1.00 25.00 N ATOM 321 CA GLN A 21 -3.791 13.864 -26.781 1.00 25.00 C ATOM 322 C GLN A 21 -2.535 14.749 -26.763 1.00 25.00 C ATOM 323 O GLN A 21 -2.198 15.387 -27.755 1.00 25.00 O ATOM 324 CB GLN A 21 -4.949 14.603 -26.121 1.00 25.00 C ATOM 325 CG GLN A 21 -6.288 13.894 -26.269 1.00 25.00 C ATOM 326 CD GLN A 21 -7.373 14.533 -25.417 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.671 15.705 -25.546 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.950 13.757 -24.534 1.00 25.00 N ATOM 0 H GLN A 21 -4.075 12.460 -25.232 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.055 13.641 -27.815 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.730 14.731 -25.061 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.026 15.601 -26.553 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.593 13.911 -27.315 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.176 12.847 -25.987 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.672 12.779 -24.456 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.677 14.131 -23.924 1.00 25.00 H new ATOM 337 N TYR A 22 -1.828 14.747 -25.643 1.00 25.00 N ATOM 338 CA TYR A 22 -0.582 15.508 -25.543 1.00 25.00 C ATOM 339 C TYR A 22 0.441 14.911 -26.507 1.00 25.00 C ATOM 340 O TYR A 22 1.154 15.625 -27.200 1.00 25.00 O ATOM 341 CB TYR A 22 -0.041 15.458 -24.112 1.00 25.00 C ATOM 342 CG TYR A 22 1.234 16.258 -23.919 1.00 25.00 C ATOM 343 CD1 TYR A 22 2.491 15.699 -24.233 1.00 25.00 C ATOM 344 CD2 TYR A 22 1.188 17.573 -23.441 1.00 25.00 C ATOM 345 CE1 TYR A 22 3.700 16.448 -24.062 1.00 25.00 C ATOM 346 CE2 TYR A 22 2.395 18.333 -23.272 1.00 25.00 C ATOM 347 CZ TYR A 22 3.626 17.754 -23.584 1.00 25.00 C ATOM 348 OH TYR A 22 4.771 18.492 -23.426 1.00 25.00 O ATOM 0 H TYR A 22 -2.087 14.236 -24.799 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.772 16.549 -25.803 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.804 15.835 -23.430 1.00 25.00 H new ATOM 0 HB3 TYR A 22 0.146 14.420 -23.839 1.00 25.00 H new ATOM 0 HD1 TYR A 22 2.542 14.688 -24.609 1.00 25.00 H new ATOM 0 HD2 TYR A 22 0.236 18.020 -23.197 1.00 25.00 H new ATOM 0 HE1 TYR A 22 4.656 16.006 -24.301 1.00 25.00 H new ATOM 0 HE2 TYR A 22 2.350 19.348 -22.905 1.00 25.00 H new ATOM 0 HH TYR A 22 4.542 19.382 -23.085 1.00 25.00 H new ATOM 358 N ALA A 23 0.528 13.592 -26.540 1.00 25.00 N ATOM 359 CA ALA A 23 1.526 12.940 -27.371 1.00 25.00 C ATOM 360 C ALA A 23 1.247 13.229 -28.852 1.00 25.00 C ATOM 361 O ALA A 23 2.170 13.442 -29.628 1.00 25.00 O ATOM 362 CB ALA A 23 1.537 11.466 -27.097 1.00 25.00 C ATOM 0 H ALA A 23 -0.071 12.959 -26.009 1.00 25.00 H new ATOM 0 HA ALA A 23 2.512 13.336 -27.130 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.288 10.985 -27.724 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.776 11.293 -26.048 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.556 11.047 -27.320 1.00 25.00 H new ATOM 368 N ALA A 24 -0.027 13.256 -29.223 1.00 25.00 N ATOM 369 CA ALA A 24 -0.418 13.548 -30.605 1.00 25.00 C ATOM 370 C ALA A 24 -0.076 14.994 -30.995 1.00 25.00 C ATOM 371 O ALA A 24 0.150 15.275 -32.165 1.00 25.00 O ATOM 372 CB ALA A 24 -1.902 13.266 -30.788 1.00 25.00 C ATOM 0 H ALA A 24 -0.808 13.080 -28.591 1.00 25.00 H new ATOM 0 HA ALA A 24 0.150 12.897 -31.270 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.190 13.484 -31.816 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.103 12.217 -30.570 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.478 13.895 -30.109 1.00 25.00 H new ATOM 378 N GLN A 25 -0.006 15.907 -30.032 1.00 25.00 N ATOM 379 CA GLN A 25 0.372 17.294 -30.298 1.00 25.00 C ATOM 380 C GLN A 25 1.872 17.412 -30.568 1.00 25.00 C ATOM 381 O GLN A 25 2.327 18.428 -31.061 1.00 25.00 O ATOM 382 CB GLN A 25 0.034 18.173 -29.086 1.00 25.00 C ATOM 383 CG GLN A 25 -1.348 18.813 -29.130 1.00 25.00 C ATOM 384 CD GLN A 25 -1.583 19.703 -27.909 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.676 19.970 -27.128 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.810 20.113 -27.715 1.00 25.00 N ATOM 0 H GLN A 25 -0.208 15.711 -29.052 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.183 17.624 -31.176 1.00 25.00 H new ATOM 0 HB2 GLN A 25 0.111 17.568 -28.183 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.782 18.961 -29.006 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -1.449 19.405 -30.040 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.111 18.035 -29.169 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.540 19.872 -28.385 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.037 20.673 -26.893 1.00 25.00 H new ATOM 395 N GLN A 26 2.634 16.393 -30.194 1.00 25.00 N ATOM 396 CA GLN A 26 4.095 16.432 -30.314 1.00 25.00 C ATOM 397 C GLN A 26 4.618 15.550 -31.440 1.00 25.00 C ATOM 398 O GLN A 26 5.438 15.983 -32.248 1.00 25.00 O ATOM 399 CB GLN A 26 4.722 15.984 -29.000 1.00 25.00 C ATOM 400 CG GLN A 26 4.374 16.887 -27.793 1.00 25.00 C ATOM 401 CD GLN A 26 4.855 18.308 -27.955 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.050 18.570 -27.967 1.00 25.00 O ATOM 403 NE2 GLN A 26 3.928 19.236 -28.092 1.00 25.00 N ATOM 0 H GLN A 26 2.268 15.525 -29.803 1.00 25.00 H new ATOM 0 HA GLN A 26 4.371 17.460 -30.548 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.398 14.966 -28.784 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.805 15.955 -29.118 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.293 16.890 -27.650 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.814 16.462 -26.891 1.00 25.00 H new ATOM 0 HE21 GLN A 26 2.941 18.978 -28.077 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.198 20.212 -28.213 1.00 25.00 H new ATOM 412 N TYR A 27 4.129 14.321 -31.500 1.00 25.00 N ATOM 413 CA TYR A 27 4.506 13.381 -32.565 1.00 25.00 C ATOM 414 C TYR A 27 3.273 12.921 -33.354 1.00 25.00 C ATOM 415 O TYR A 27 2.859 11.753 -33.259 1.00 25.00 O ATOM 416 CB TYR A 27 5.231 12.152 -31.975 1.00 25.00 C ATOM 417 CG TYR A 27 6.503 12.476 -31.218 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.454 13.382 -31.764 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.777 11.877 -29.978 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.652 13.692 -31.062 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.981 12.200 -29.269 1.00 25.00 C ATOM 422 CZ TYR A 27 8.896 13.108 -29.817 1.00 25.00 C ATOM 423 OH TYR A 27 10.061 13.418 -29.125 1.00 25.00 O ATOM 0 H TYR A 27 3.466 13.942 -30.824 1.00 25.00 H new ATOM 0 HA TYR A 27 5.182 13.903 -33.243 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.548 11.630 -31.305 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.471 11.464 -32.786 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.264 13.840 -32.723 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.078 11.170 -29.556 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.370 14.376 -31.490 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.182 11.743 -28.312 1.00 25.00 H new ATOM 0 HH TYR A 27 10.077 12.929 -28.276 1.00 25.00 H new ATOM 433 N PRO A 28 2.645 13.823 -34.129 1.00 25.00 N ATOM 434 CA PRO A 28 1.435 13.360 -34.819 1.00 25.00 C ATOM 435 C PRO A 28 1.730 12.264 -35.850 1.00 25.00 C ATOM 436 O PRO A 28 2.729 12.299 -36.554 1.00 25.00 O ATOM 437 CB PRO A 28 0.891 14.650 -35.467 1.00 25.00 C ATOM 438 CG PRO A 28 2.076 15.510 -35.630 1.00 25.00 C ATOM 439 CD PRO A 28 2.915 15.244 -34.416 1.00 25.00 C ATOM 0 HA PRO A 28 0.718 12.888 -34.147 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.416 14.443 -36.426 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.140 15.125 -34.836 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.617 15.268 -36.545 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.796 16.561 -35.694 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.973 15.422 -34.610 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.631 15.885 -33.581 1.00 25.00 H new ATOM 447 N GLY A 29 0.845 11.279 -35.924 1.00 25.00 N ATOM 448 CA GLY A 29 1.015 10.189 -36.871 1.00 25.00 C ATOM 449 C GLY A 29 1.941 9.084 -36.431 1.00 25.00 C ATOM 450 O GLY A 29 1.829 7.959 -36.905 1.00 25.00 O ATOM 0 H GLY A 29 0.009 11.213 -35.344 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.036 9.757 -37.080 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.389 10.601 -37.808 1.00 25.00 H new ATOM 454 N ASN A 30 2.834 9.366 -35.487 1.00 25.00 N ATOM 455 CA ASN A 30 3.810 8.372 -35.031 1.00 25.00 C ATOM 456 C ASN A 30 3.320 7.688 -33.772 1.00 25.00 C ATOM 457 O ASN A 30 3.704 8.078 -32.683 1.00 25.00 O ATOM 458 CB ASN A 30 5.172 9.034 -34.746 1.00 25.00 C ATOM 459 CG ASN A 30 5.883 9.430 -36.005 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.849 10.588 -36.388 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.526 8.490 -36.649 1.00 25.00 N ATOM 0 H ASN A 30 2.905 10.271 -35.022 1.00 25.00 H new ATOM 0 HA ASN A 30 3.929 7.634 -35.824 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.022 9.915 -34.123 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.798 8.345 -34.179 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.027 8.712 -37.509 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.527 7.535 -36.291 1.00 25.00 H new ATOM 468 N TYR A 31 2.479 6.679 -33.927 1.00 25.00 N ATOM 469 CA TYR A 31 1.923 5.958 -32.777 1.00 25.00 C ATOM 470 C TYR A 31 3.009 5.454 -31.820 1.00 25.00 C ATOM 471 O TYR A 31 2.895 5.627 -30.613 1.00 25.00 O ATOM 472 CB TYR A 31 1.072 4.773 -33.246 1.00 25.00 C ATOM 473 CG TYR A 31 0.753 3.776 -32.134 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.140 4.089 -31.091 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.385 2.511 -32.104 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.411 3.151 -30.046 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.118 1.586 -31.079 1.00 25.00 C ATOM 478 CZ TYR A 31 0.225 1.915 -30.048 1.00 25.00 C ATOM 479 OH TYR A 31 0.005 1.025 -29.036 1.00 25.00 O ATOM 0 H TYR A 31 2.162 6.335 -34.834 1.00 25.00 H new ATOM 0 HA TYR A 31 1.302 6.670 -32.234 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.139 5.149 -33.665 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.596 4.255 -34.049 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.628 5.052 -31.080 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.086 2.251 -32.883 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.107 3.402 -29.259 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.601 0.620 -31.085 1.00 25.00 H new ATOM 0 HH TYR A 31 0.528 0.212 -29.196 1.00 25.00 H new ATOM 489 N GLU A 32 4.066 4.859 -32.353 1.00 25.00 N ATOM 490 CA GLU A 32 5.114 4.302 -31.490 1.00 25.00 C ATOM 491 C GLU A 32 5.783 5.409 -30.673 1.00 25.00 C ATOM 492 O GLU A 32 5.979 5.263 -29.477 1.00 25.00 O ATOM 493 CB GLU A 32 6.146 3.527 -32.315 1.00 25.00 C ATOM 494 CG GLU A 32 6.774 4.321 -33.463 1.00 25.00 C ATOM 495 CD GLU A 32 7.754 3.510 -34.280 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.270 2.486 -33.779 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.064 3.950 -35.402 1.00 25.00 O ATOM 0 H GLU A 32 4.226 4.747 -33.354 1.00 25.00 H new ATOM 0 HA GLU A 32 4.649 3.602 -30.796 1.00 25.00 H new ATOM 0 HB2 GLU A 32 6.940 3.186 -31.651 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.669 2.637 -32.725 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.983 4.690 -34.117 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.285 5.194 -33.056 1.00 25.00 H new ATOM 504 N GLN A 33 6.127 6.531 -31.292 1.00 25.00 N ATOM 505 CA GLN A 33 6.812 7.622 -30.592 1.00 25.00 C ATOM 506 C GLN A 33 5.889 8.267 -29.595 1.00 25.00 C ATOM 507 O GLN A 33 6.306 8.647 -28.507 1.00 25.00 O ATOM 508 CB GLN A 33 7.267 8.700 -31.572 1.00 25.00 C ATOM 509 CG GLN A 33 8.296 8.222 -32.600 1.00 25.00 C ATOM 510 CD GLN A 33 9.595 7.778 -31.960 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.073 8.383 -31.032 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.182 6.720 -32.479 1.00 25.00 N ATOM 0 H GLN A 33 5.945 6.714 -32.279 1.00 25.00 H new ATOM 0 HA GLN A 33 7.676 7.190 -30.088 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.395 9.086 -32.100 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.692 9.531 -31.009 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.876 7.395 -33.172 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.500 9.027 -33.306 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.751 6.231 -33.264 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.068 6.389 -32.096 1.00 25.00 H new ATOM 521 N GLN A 34 4.607 8.335 -29.931 1.00 25.00 N ATOM 522 CA GLN A 34 3.619 8.816 -28.997 1.00 25.00 C ATOM 523 C GLN A 34 3.635 7.965 -27.729 1.00 25.00 C ATOM 524 O GLN A 34 3.514 8.479 -26.633 1.00 25.00 O ATOM 525 CB GLN A 34 2.215 8.799 -29.618 1.00 25.00 C ATOM 526 CG GLN A 34 1.976 9.918 -30.594 1.00 25.00 C ATOM 527 CD GLN A 34 0.644 9.742 -31.310 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.251 9.079 -30.806 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.524 10.308 -32.494 1.00 25.00 N ATOM 0 H GLN A 34 4.236 8.062 -30.841 1.00 25.00 H new ATOM 0 HA GLN A 34 3.869 9.846 -28.744 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.063 7.846 -30.125 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.473 8.858 -28.821 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.987 10.873 -30.068 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.785 9.947 -31.324 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.295 10.853 -32.879 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.340 10.201 -33.025 1.00 25.00 H new ATOM 538 N GLN A 35 3.821 6.668 -27.874 1.00 25.00 N ATOM 539 CA GLN A 35 3.807 5.759 -26.706 1.00 25.00 C ATOM 540 C GLN A 35 5.080 5.946 -25.887 1.00 25.00 C ATOM 541 O GLN A 35 5.046 5.956 -24.651 1.00 25.00 O ATOM 542 CB GLN A 35 3.662 4.293 -27.126 1.00 25.00 C ATOM 543 CG GLN A 35 2.296 3.937 -27.667 1.00 25.00 C ATOM 544 CD GLN A 35 1.240 3.990 -26.600 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.366 3.383 -25.551 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.190 4.734 -26.859 1.00 25.00 N ATOM 0 H GLN A 35 3.983 6.208 -28.770 1.00 25.00 H new ATOM 0 HA GLN A 35 2.940 6.014 -26.097 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.411 4.068 -27.885 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.878 3.657 -26.267 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.034 4.624 -28.472 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.326 2.937 -28.099 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.121 5.227 -27.749 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.557 4.819 -26.170 1.00 25.00 H new ATOM 555 N ILE A 36 6.204 6.158 -26.570 1.00 25.00 N ATOM 556 CA ILE A 36 7.477 6.403 -25.892 1.00 25.00 C ATOM 557 C ILE A 36 7.386 7.679 -25.059 1.00 25.00 C ATOM 558 O ILE A 36 7.800 7.696 -23.902 1.00 25.00 O ATOM 559 CB ILE A 36 8.632 6.500 -26.929 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.781 5.167 -27.673 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.967 6.871 -26.236 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.618 5.271 -28.952 1.00 25.00 C ATOM 0 H ILE A 36 6.260 6.165 -27.588 1.00 25.00 H new ATOM 0 HA ILE A 36 7.691 5.568 -25.224 1.00 25.00 H new ATOM 0 HB ILE A 36 8.386 7.286 -27.643 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.240 4.437 -27.006 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.791 4.789 -27.926 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.759 6.933 -26.982 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.862 7.834 -25.737 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.220 6.107 -25.501 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.681 4.292 -29.426 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.148 5.976 -29.638 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.620 5.619 -28.703 1.00 25.00 H new ATOM 574 N LEU A 37 6.780 8.718 -25.619 1.00 25.00 N ATOM 575 CA LEU A 37 6.572 9.978 -24.898 1.00 25.00 C ATOM 576 C LEU A 37 5.634 9.772 -23.705 1.00 25.00 C ATOM 577 O LEU A 37 5.927 10.221 -22.614 1.00 25.00 O ATOM 578 CB LEU A 37 5.996 11.026 -25.856 1.00 25.00 C ATOM 579 CG LEU A 37 5.723 12.431 -25.282 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.924 13.048 -24.576 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.291 13.335 -26.428 1.00 25.00 C ATOM 0 H LEU A 37 6.421 8.718 -26.574 1.00 25.00 H new ATOM 0 HA LEU A 37 7.531 10.329 -24.515 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.684 11.132 -26.695 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.060 10.638 -26.258 1.00 25.00 H new ATOM 0 HG LEU A 37 4.944 12.331 -24.526 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.657 14.035 -24.199 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.224 12.411 -23.744 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.752 13.140 -25.279 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.092 14.336 -26.046 1.00 25.00 H new ATOM 0 HD22 LEU A 37 6.085 13.382 -27.173 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.387 12.935 -26.886 1.00 25.00 H new ATOM 593 N ILE A 38 4.526 9.066 -23.899 1.00 25.00 N ATOM 594 CA ILE A 38 3.579 8.795 -22.807 1.00 25.00 C ATOM 595 C ILE A 38 4.293 8.053 -21.684 1.00 25.00 C ATOM 596 O ILE A 38 4.051 8.340 -20.511 1.00 25.00 O ATOM 597 CB ILE A 38 2.337 8.008 -23.316 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.510 8.926 -24.220 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.439 7.544 -22.131 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.551 8.206 -25.141 1.00 25.00 C ATOM 0 H ILE A 38 4.255 8.668 -24.798 1.00 25.00 H new ATOM 0 HA ILE A 38 3.210 9.744 -22.417 1.00 25.00 H new ATOM 0 HB ILE A 38 2.684 7.128 -23.858 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.943 9.616 -23.594 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.190 9.528 -24.823 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.579 6.997 -22.518 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.014 6.895 -21.471 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.094 8.415 -21.573 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.008 8.935 -25.743 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.109 7.537 -25.796 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.157 7.626 -24.548 1.00 25.00 H new ATOM 612 N ARG A 39 5.191 7.129 -22.009 1.00 25.00 N ATOM 613 CA ARG A 39 5.943 6.419 -20.967 1.00 25.00 C ATOM 614 C ARG A 39 6.715 7.429 -20.132 1.00 25.00 C ATOM 615 O ARG A 39 6.707 7.344 -18.895 1.00 25.00 O ATOM 616 CB ARG A 39 6.875 5.396 -21.619 1.00 25.00 C ATOM 617 CG ARG A 39 7.553 4.391 -20.633 1.00 25.00 C ATOM 618 CD ARG A 39 8.948 4.873 -20.195 1.00 25.00 C ATOM 619 NE ARG A 39 9.724 3.799 -19.544 1.00 25.00 N ATOM 620 CZ ARG A 39 10.970 3.919 -19.084 1.00 25.00 C ATOM 621 NH1 ARG A 39 11.617 5.054 -19.121 1.00 25.00 N ATOM 622 NH2 ARG A 39 11.567 2.864 -18.580 1.00 25.00 N ATOM 0 H ARG A 39 5.417 6.854 -22.965 1.00 25.00 H new ATOM 0 HA ARG A 39 5.263 5.880 -20.307 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.307 4.829 -22.357 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.655 5.932 -22.160 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.921 4.261 -19.755 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.639 3.415 -21.111 1.00 25.00 H new ATOM 0 HD2 ARG A 39 9.494 5.240 -21.064 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.842 5.712 -19.507 1.00 25.00 H new ATOM 0 HE ARG A 39 9.270 2.892 -19.437 1.00 25.00 H new ATOM 0 HH11 ARG A 39 11.170 5.884 -19.511 1.00 25.00 H new ATOM 0 HH12 ARG A 39 12.569 5.110 -18.760 1.00 25.00 H new ATOM 0 HH21 ARG A 39 11.078 1.970 -18.545 1.00 25.00 H new ATOM 0 HH22 ARG A 39 12.520 2.939 -18.224 1.00 25.00 H new ATOM 636 N GLN A 40 7.357 8.386 -20.778 1.00 25.00 N ATOM 637 CA GLN A 40 8.085 9.436 -20.065 1.00 25.00 C ATOM 638 C GLN A 40 7.133 10.360 -19.270 1.00 25.00 C ATOM 639 O GLN A 40 7.422 10.721 -18.132 1.00 25.00 O ATOM 640 CB GLN A 40 8.877 10.284 -21.053 1.00 25.00 C ATOM 641 CG GLN A 40 9.816 11.310 -20.407 1.00 25.00 C ATOM 642 CD GLN A 40 10.481 12.206 -21.432 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.020 12.332 -22.553 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.576 12.833 -21.046 1.00 25.00 N ATOM 0 H GLN A 40 7.393 8.463 -21.794 1.00 25.00 H new ATOM 0 HA GLN A 40 8.756 8.943 -19.362 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.466 9.622 -21.689 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.177 10.810 -21.702 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.252 11.923 -19.703 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.581 10.788 -19.833 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.932 12.702 -20.099 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.067 13.448 -21.695 1.00 25.00 H new ATOM 653 N LEU A 41 5.992 10.708 -19.853 1.00 25.00 N ATOM 654 CA LEU A 41 5.025 11.593 -19.192 1.00 25.00 C ATOM 655 C LEU A 41 4.507 10.934 -17.922 1.00 25.00 C ATOM 656 O LEU A 41 4.385 11.572 -16.899 1.00 25.00 O ATOM 657 CB LEU A 41 3.824 11.883 -20.119 1.00 25.00 C ATOM 658 CG LEU A 41 4.085 12.680 -21.406 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.813 12.686 -22.265 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.537 14.094 -21.108 1.00 25.00 C ATOM 0 H LEU A 41 5.709 10.394 -20.781 1.00 25.00 H new ATOM 0 HA LEU A 41 5.531 12.528 -18.954 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.381 10.928 -20.401 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.076 12.422 -19.538 1.00 25.00 H new ATOM 0 HG LEU A 41 4.893 12.196 -21.954 1.00 25.00 H new ATOM 0 HD11 LEU A 41 2.994 13.251 -23.179 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.541 11.662 -22.519 1.00 25.00 H new ATOM 0 HD13 LEU A 41 1.999 13.150 -21.707 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.711 14.625 -22.044 1.00 25.00 H new ATOM 0 HD22 LEU A 41 3.765 14.610 -20.536 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.460 14.067 -20.529 1.00 25.00 H new ATOM 672 N GLN A 42 4.246 9.640 -17.992 1.00 25.00 N ATOM 673 CA GLN A 42 3.772 8.903 -16.831 1.00 25.00 C ATOM 674 C GLN A 42 4.874 8.737 -15.793 1.00 25.00 C ATOM 675 O GLN A 42 4.597 8.778 -14.610 1.00 25.00 O ATOM 676 CB GLN A 42 3.219 7.539 -17.254 1.00 25.00 C ATOM 677 CG GLN A 42 1.930 7.665 -18.081 1.00 25.00 C ATOM 678 CD GLN A 42 1.345 6.345 -18.488 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.148 6.187 -18.484 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.168 5.411 -18.857 1.00 25.00 N ATOM 0 H GLN A 42 4.353 9.079 -18.837 1.00 25.00 H new ATOM 0 HA GLN A 42 2.968 9.479 -16.372 1.00 25.00 H new ATOM 0 HB2 GLN A 42 3.972 7.009 -17.837 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.022 6.938 -16.366 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.190 8.218 -17.502 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.138 8.252 -18.976 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.173 5.584 -18.846 1.00 25.00 H new ATOM 0 HE22 GLN A 42 1.809 4.505 -19.158 1.00 25.00 H new ATOM 689 N GLU A 43 6.116 8.609 -16.222 1.00 25.00 N ATOM 690 CA GLU A 43 7.246 8.550 -15.291 1.00 25.00 C ATOM 691 C GLU A 43 7.390 9.894 -14.566 1.00 25.00 C ATOM 692 O GLU A 43 7.583 9.953 -13.349 1.00 25.00 O ATOM 693 CB GLU A 43 8.521 8.188 -16.057 1.00 25.00 C ATOM 694 CG GLU A 43 9.707 7.866 -15.190 1.00 25.00 C ATOM 695 CD GLU A 43 10.929 7.505 -16.023 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.799 6.655 -16.937 1.00 25.00 O ATOM 697 OE2 GLU A 43 12.017 8.062 -15.767 1.00 25.00 O ATOM 0 H GLU A 43 6.376 8.543 -17.206 1.00 25.00 H new ATOM 0 HA GLU A 43 7.070 7.780 -14.540 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.313 7.330 -16.697 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.783 9.019 -16.713 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.938 8.722 -14.556 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.460 7.036 -14.528 1.00 25.00 H new ATOM 704 N GLN A 44 7.246 10.979 -15.297 1.00 25.00 N ATOM 705 CA GLN A 44 7.333 12.332 -14.727 1.00 25.00 C ATOM 706 C GLN A 44 6.159 12.603 -13.782 1.00 25.00 C ATOM 707 O GLN A 44 6.336 13.148 -12.683 1.00 25.00 O ATOM 708 CB GLN A 44 7.331 13.348 -15.868 1.00 25.00 C ATOM 709 CG GLN A 44 7.540 14.782 -15.430 1.00 25.00 C ATOM 710 CD GLN A 44 7.525 15.730 -16.605 1.00 25.00 C ATOM 711 OE1 GLN A 44 6.612 15.706 -17.414 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.523 16.561 -16.702 1.00 25.00 N ATOM 0 H GLN A 44 7.066 10.962 -16.301 1.00 25.00 H new ATOM 0 HA GLN A 44 8.254 12.419 -14.151 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.114 13.080 -16.578 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.382 13.278 -16.399 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.759 15.065 -14.724 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.491 14.868 -14.905 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.267 16.549 -16.004 1.00 25.00 H new ATOM 0 HE22 GLN A 44 8.561 17.224 -17.476 1.00 25.00 H new ATOM 721 N HIS A 45 4.973 12.201 -14.206 1.00 25.00 N ATOM 722 CA HIS A 45 3.775 12.350 -13.395 1.00 25.00 C ATOM 723 C HIS A 45 3.933 11.528 -12.123 1.00 25.00 C ATOM 724 O HIS A 45 3.592 11.977 -11.035 1.00 25.00 O ATOM 725 CB HIS A 45 2.544 11.867 -14.165 1.00 25.00 C ATOM 726 CG HIS A 45 1.277 11.982 -13.385 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.248 11.085 -13.468 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.859 12.913 -12.469 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.717 11.482 -12.649 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.399 12.585 -12.010 1.00 25.00 N ATOM 0 H HIS A 45 4.813 11.766 -15.114 1.00 25.00 H new ATOM 0 HA HIS A 45 3.640 13.403 -13.147 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.450 12.444 -15.085 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.691 10.827 -14.455 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.430 13.774 -12.154 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.654 10.960 -12.522 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -0.961 13.089 -11.324 1.00 25.00 H new ATOM 738 N TYR A 46 4.485 10.330 -12.245 1.00 25.00 N ATOM 739 CA TYR A 46 4.696 9.477 -11.086 1.00 25.00 C ATOM 740 C TYR A 46 5.640 10.119 -10.081 1.00 25.00 C ATOM 741 O TYR A 46 5.480 9.945 -8.889 1.00 25.00 O ATOM 742 CB TYR A 46 5.235 8.118 -11.503 1.00 25.00 C ATOM 743 CG TYR A 46 5.179 7.114 -10.370 1.00 25.00 C ATOM 744 CD1 TYR A 46 3.946 6.556 -9.977 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.338 6.719 -9.691 1.00 25.00 C ATOM 746 CE1 TYR A 46 3.870 5.629 -8.929 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.276 5.764 -8.643 1.00 25.00 C ATOM 748 CZ TYR A 46 5.031 5.236 -8.266 1.00 25.00 C ATOM 749 OH TYR A 46 4.960 4.319 -7.238 1.00 25.00 O ATOM 0 H TYR A 46 4.793 9.928 -13.130 1.00 25.00 H new ATOM 0 HA TYR A 46 3.726 9.343 -10.607 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.658 7.743 -12.349 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.265 8.225 -11.842 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.043 6.848 -10.493 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.290 7.146 -9.968 1.00 25.00 H new ATOM 0 HE1 TYR A 46 2.914 5.220 -8.636 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.178 5.447 -8.140 1.00 25.00 H new ATOM 0 HH TYR A 46 5.859 4.154 -6.884 1.00 25.00 H new ATOM 759 N GLN A 47 6.605 10.886 -10.556 1.00 25.00 N ATOM 760 CA GLN A 47 7.510 11.586 -9.654 1.00 25.00 C ATOM 761 C GLN A 47 6.729 12.608 -8.817 1.00 25.00 C ATOM 762 O GLN A 47 6.908 12.705 -7.602 1.00 25.00 O ATOM 763 CB GLN A 47 8.630 12.274 -10.448 1.00 25.00 C ATOM 764 CG GLN A 47 10.008 12.157 -9.799 1.00 25.00 C ATOM 765 CD GLN A 47 10.036 12.740 -8.399 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.267 12.031 -7.439 1.00 25.00 O ATOM 767 NE2 GLN A 47 9.816 14.022 -8.292 1.00 25.00 N ATOM 0 H GLN A 47 6.783 11.041 -11.548 1.00 25.00 H new ATOM 0 HA GLN A 47 7.968 10.862 -8.979 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.672 11.842 -11.448 1.00 25.00 H new ATOM 0 HB3 GLN A 47 8.383 13.329 -10.567 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.301 11.108 -9.759 1.00 25.00 H new ATOM 0 HG3 GLN A 47 10.744 12.670 -10.419 1.00 25.00 H new ATOM 0 HE21 GLN A 47 9.626 14.578 -9.126 1.00 25.00 H new ATOM 0 HE22 GLN A 47 9.834 14.468 -7.375 1.00 25.00 H new ATOM 776 N GLN A 48 5.817 13.322 -9.462 1.00 25.00 N ATOM 777 CA GLN A 48 4.943 14.278 -8.759 1.00 25.00 C ATOM 778 C GLN A 48 4.034 13.524 -7.788 1.00 25.00 C ATOM 779 O GLN A 48 3.839 13.934 -6.656 1.00 25.00 O ATOM 780 CB GLN A 48 4.136 15.092 -9.763 1.00 25.00 C ATOM 781 CG GLN A 48 3.291 16.226 -9.146 1.00 25.00 C ATOM 782 CD GLN A 48 1.873 15.793 -8.758 1.00 25.00 C ATOM 783 OE1 GLN A 48 1.506 15.785 -7.599 1.00 25.00 O ATOM 784 NE2 GLN A 48 1.070 15.481 -9.736 1.00 25.00 N ATOM 0 H GLN A 48 5.656 13.265 -10.468 1.00 25.00 H new ATOM 0 HA GLN A 48 5.553 14.975 -8.184 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.820 15.524 -10.493 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.473 14.419 -10.307 1.00 25.00 H new ATOM 0 HG2 GLN A 48 3.800 16.607 -8.261 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.229 17.050 -9.857 1.00 25.00 H new ATOM 0 HE21 GLN A 48 1.408 15.497 -10.698 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.104 15.221 -9.539 1.00 25.00 H new ATOM 793 N TYR A 49 3.521 12.385 -8.228 1.00 25.00 N ATOM 794 CA TYR A 49 2.667 11.556 -7.397 1.00 25.00 C ATOM 795 C TYR A 49 3.417 11.055 -6.153 1.00 25.00 C ATOM 796 O TYR A 49 2.856 10.982 -5.068 1.00 25.00 O ATOM 797 CB TYR A 49 2.156 10.371 -8.227 1.00 25.00 C ATOM 798 CG TYR A 49 0.922 9.705 -7.666 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.357 10.298 -7.822 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.007 8.468 -7.008 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.517 9.674 -7.309 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.164 7.831 -6.497 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.402 8.438 -6.643 1.00 25.00 C ATOM 804 OH TYR A 49 -2.531 7.806 -6.161 1.00 25.00 O ATOM 0 H TYR A 49 3.684 12.013 -9.164 1.00 25.00 H new ATOM 0 HA TYR A 49 1.824 12.154 -7.052 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.940 10.717 -9.238 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.950 9.629 -8.307 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.446 11.241 -8.341 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.969 7.993 -6.887 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.484 10.141 -7.427 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.086 6.877 -5.997 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.276 6.964 -5.730 1.00 25.00 H new ATOM 814 N MET A 50 4.709 10.794 -6.299 1.00 25.00 N ATOM 815 CA MET A 50 5.535 10.386 -5.179 1.00 25.00 C ATOM 816 C MET A 50 5.697 11.519 -4.177 1.00 25.00 C ATOM 817 O MET A 50 5.655 11.295 -2.966 1.00 25.00 O ATOM 818 CB MET A 50 6.906 9.916 -5.685 1.00 25.00 C ATOM 819 CG MET A 50 7.589 8.922 -4.759 1.00 25.00 C ATOM 820 SD MET A 50 7.348 7.202 -5.343 1.00 25.00 S ATOM 821 CE MET A 50 5.543 6.955 -5.153 1.00 25.00 C ATOM 0 H MET A 50 5.206 10.859 -7.187 1.00 25.00 H new ATOM 0 HA MET A 50 5.041 9.559 -4.670 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.784 9.460 -6.668 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.553 10.784 -5.814 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.655 9.145 -4.704 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.189 9.026 -3.750 1.00 25.00 H new ATOM 0 HE1 MET A 50 5.308 5.895 -5.251 1.00 25.00 H new ATOM 0 HE2 MET A 50 5.229 7.307 -4.170 1.00 25.00 H new ATOM 0 HE3 MET A 50 5.016 7.516 -5.925 1.00 25.00 H new