USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 36 MET CE :methyl 176:sc= -0.543 (180deg=-0.493) USER MOD Set 1.2: A 72 MET CE :methyl -109:sc= -0.501 (180deg=-0.121) USER MOD Set 2.1: A 24 ASN : amide:sc= -5.12! C(o=-6.5!,f=-20!) USER MOD Set 2.2: A 26 SER OG : rot -63:sc= -1.35! USER MOD Single : A 5 THR OG1 : rot 6:sc= 0.766 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.0976 (180deg=-1.26) USER MOD Single : A 23 ASN : amide:sc= -1.84! C(o=-1.8!,f=-2.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.6 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.133 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 52 MET CE :methyl -141:sc= -3.2 (180deg=-4.86!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 60 ASN : amide:sc= -0.0522 K(o=-0.052,f=-0.84) USER MOD Single : A 61 HIS : no HE2:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 62 GLN : amide:sc= -0.419 K(o=-0.42,f=-3.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0149 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -9.952 -6.416 -14.326 1.00 0.00 N ATOM 59 CA THR A 5 -11.032 -7.444 -14.298 1.00 0.00 C ATOM 60 C THR A 5 -10.973 -8.238 -12.990 1.00 0.00 C ATOM 61 O THR A 5 -10.132 -8.001 -12.146 1.00 0.00 O ATOM 62 CB THR A 5 -10.744 -8.355 -15.492 1.00 0.00 C ATOM 63 OG1 THR A 5 -9.885 -7.682 -16.403 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.056 -8.710 -16.193 1.00 0.00 C ATOM 0 HA THR A 5 -12.026 -7.000 -14.355 1.00 0.00 H new ATOM 0 HB THR A 5 -10.262 -9.269 -15.144 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.604 -6.826 -16.017 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.850 -9.359 -17.044 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.714 -9.226 -15.494 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.541 -7.798 -16.542 1.00 0.00 H new ATOM 72 N GLU A 6 -11.859 -9.179 -12.817 1.00 0.00 N ATOM 73 CA GLU A 6 -11.853 -9.989 -11.564 1.00 0.00 C ATOM 74 C GLU A 6 -10.471 -10.609 -11.342 1.00 0.00 C ATOM 75 O GLU A 6 -9.741 -10.220 -10.452 1.00 0.00 O ATOM 76 CB GLU A 6 -12.901 -11.079 -11.791 1.00 0.00 C ATOM 77 CG GLU A 6 -14.234 -10.641 -11.183 1.00 0.00 C ATOM 78 CD GLU A 6 -14.964 -11.861 -10.617 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.649 -12.523 -11.378 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.824 -12.112 -9.431 1.00 0.00 O ATOM 0 H GLU A 6 -12.587 -9.423 -13.488 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.076 -9.388 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.020 -11.267 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.572 -12.014 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.063 -9.909 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.849 -10.155 -11.941 1.00 0.00 H new ATOM 87 N GLU A 7 -10.106 -11.570 -12.145 1.00 0.00 N ATOM 88 CA GLU A 7 -8.770 -12.213 -11.979 1.00 0.00 C ATOM 89 C GLU A 7 -7.703 -11.149 -11.717 1.00 0.00 C ATOM 90 O GLU A 7 -6.862 -11.299 -10.853 1.00 0.00 O ATOM 91 CB GLU A 7 -8.506 -12.926 -13.306 1.00 0.00 C ATOM 92 CG GLU A 7 -9.073 -14.346 -13.245 1.00 0.00 C ATOM 93 CD GLU A 7 -8.415 -15.110 -12.095 1.00 0.00 C ATOM 94 OE1 GLU A 7 -7.279 -15.523 -12.257 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.060 -15.270 -11.072 1.00 0.00 O ATOM 0 H GLU A 7 -10.674 -11.938 -12.908 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.744 -12.903 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.967 -12.374 -14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.435 -12.959 -13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.153 -14.312 -13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.893 -14.862 -14.188 1.00 0.00 H new ATOM 102 N GLN A 8 -7.728 -10.074 -12.458 1.00 0.00 N ATOM 103 CA GLN A 8 -6.714 -9.002 -12.248 1.00 0.00 C ATOM 104 C GLN A 8 -6.661 -8.612 -10.768 1.00 0.00 C ATOM 105 O GLN A 8 -5.652 -8.775 -10.110 1.00 0.00 O ATOM 106 CB GLN A 8 -7.199 -7.825 -13.096 1.00 0.00 C ATOM 107 CG GLN A 8 -6.014 -7.210 -13.841 1.00 0.00 C ATOM 108 CD GLN A 8 -6.340 -7.115 -15.332 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.683 -6.058 -15.825 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.249 -8.182 -16.076 1.00 0.00 N ATOM 0 H GLN A 8 -8.406 -9.892 -13.198 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.710 -9.320 -12.531 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.954 -8.162 -13.807 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.671 -7.076 -12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.795 -6.219 -13.442 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.122 -7.818 -13.691 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.961 -9.069 -15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.466 -8.130 -17.071 1.00 0.00 H new ATOM 119 N ILE A 9 -7.739 -8.101 -10.239 1.00 0.00 N ATOM 120 CA ILE A 9 -7.748 -7.705 -8.803 1.00 0.00 C ATOM 121 C ILE A 9 -7.191 -8.841 -7.941 1.00 0.00 C ATOM 122 O ILE A 9 -6.514 -8.614 -6.958 1.00 0.00 O ATOM 123 CB ILE A 9 -9.218 -7.451 -8.470 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.740 -6.294 -9.325 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.353 -7.091 -6.990 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.185 -5.979 -8.931 1.00 0.00 C ATOM 0 H ILE A 9 -8.613 -7.941 -10.739 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.131 -6.827 -8.612 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.798 -8.350 -8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.114 -5.413 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.689 -6.557 -10.382 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.402 -6.910 -6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.980 -7.914 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.773 -6.192 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.557 -5.155 -9.540 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.807 -6.860 -9.093 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.222 -5.698 -7.879 1.00 0.00 H new ATOM 138 N ALA A 10 -7.470 -10.063 -8.304 1.00 0.00 N ATOM 139 CA ALA A 10 -6.956 -11.214 -7.508 1.00 0.00 C ATOM 140 C ALA A 10 -5.430 -11.148 -7.412 1.00 0.00 C ATOM 141 O ALA A 10 -4.873 -10.923 -6.355 1.00 0.00 O ATOM 142 CB ALA A 10 -7.393 -12.458 -8.284 1.00 0.00 C ATOM 0 H ALA A 10 -8.032 -10.314 -9.117 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.339 -11.216 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.052 -13.351 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.480 -12.476 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.959 -12.434 -9.284 1.00 0.00 H new ATOM 148 N GLU A 11 -4.748 -11.339 -8.509 1.00 0.00 N ATOM 149 CA GLU A 11 -3.259 -11.284 -8.479 1.00 0.00 C ATOM 150 C GLU A 11 -2.797 -10.023 -7.744 1.00 0.00 C ATOM 151 O GLU A 11 -1.763 -10.006 -7.107 1.00 0.00 O ATOM 152 CB GLU A 11 -2.833 -11.239 -9.946 1.00 0.00 C ATOM 153 CG GLU A 11 -2.632 -12.664 -10.464 1.00 0.00 C ATOM 154 CD GLU A 11 -3.991 -13.291 -10.777 1.00 0.00 C ATOM 155 OE1 GLU A 11 -4.697 -13.626 -9.840 1.00 0.00 O ATOM 156 OE2 GLU A 11 -4.304 -13.425 -11.949 1.00 0.00 O ATOM 0 H GLU A 11 -5.157 -11.530 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.822 -12.136 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.591 -10.729 -10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.909 -10.669 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.010 -12.652 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.107 -13.262 -9.719 1.00 0.00 H new ATOM 163 N PHE A 12 -3.558 -8.966 -7.828 1.00 0.00 N ATOM 164 CA PHE A 12 -3.165 -7.707 -7.134 1.00 0.00 C ATOM 165 C PHE A 12 -3.219 -7.905 -5.617 1.00 0.00 C ATOM 166 O PHE A 12 -2.315 -7.528 -4.899 1.00 0.00 O ATOM 167 CB PHE A 12 -4.199 -6.671 -7.576 1.00 0.00 C ATOM 168 CG PHE A 12 -3.826 -6.137 -8.939 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.596 -7.022 -9.999 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.714 -4.756 -9.143 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.251 -6.526 -11.262 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.370 -4.261 -10.405 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.139 -5.145 -11.466 1.00 0.00 C ATOM 0 H PHE A 12 -4.435 -8.920 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.149 -7.398 -7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.191 -7.122 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.244 -5.856 -6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.685 -8.087 -9.843 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.893 -4.073 -8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.071 -7.209 -12.079 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.282 -3.196 -10.561 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.875 -4.762 -12.441 1.00 0.00 H new ATOM 183 N LYS A 13 -4.274 -8.497 -5.124 1.00 0.00 N ATOM 184 CA LYS A 13 -4.382 -8.722 -3.655 1.00 0.00 C ATOM 185 C LYS A 13 -3.179 -9.526 -3.157 1.00 0.00 C ATOM 186 O LYS A 13 -2.507 -9.142 -2.221 1.00 0.00 O ATOM 187 CB LYS A 13 -5.675 -9.517 -3.468 1.00 0.00 C ATOM 188 CG LYS A 13 -5.884 -9.813 -1.981 1.00 0.00 C ATOM 189 CD LYS A 13 -7.380 -9.814 -1.666 1.00 0.00 C ATOM 190 CE LYS A 13 -7.686 -8.718 -0.640 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.622 -9.352 0.329 1.00 0.00 N ATOM 0 H LYS A 13 -5.064 -8.834 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.396 -7.788 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.521 -8.952 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.626 -10.449 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.448 -10.779 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.375 -9.064 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.955 -9.645 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.680 -10.787 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.777 -8.375 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.138 -7.847 -1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.879 -8.663 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.480 -9.663 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.161 -10.174 0.770 1.00 0.00 H new ATOM 205 N GLU A 14 -2.899 -10.638 -3.780 1.00 0.00 N ATOM 206 CA GLU A 14 -1.735 -11.462 -3.343 1.00 0.00 C ATOM 207 C GLU A 14 -0.470 -10.602 -3.313 1.00 0.00 C ATOM 208 O GLU A 14 0.357 -10.727 -2.431 1.00 0.00 O ATOM 209 CB GLU A 14 -1.612 -12.563 -4.396 1.00 0.00 C ATOM 210 CG GLU A 14 -1.747 -13.930 -3.724 1.00 0.00 C ATOM 211 CD GLU A 14 -0.360 -14.554 -3.551 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.165 -15.062 -4.528 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.151 -14.513 -2.444 1.00 0.00 O ATOM 0 H GLU A 14 -3.424 -11.011 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.867 -11.872 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.384 -12.442 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.650 -12.489 -4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.233 -13.824 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.378 -14.583 -4.327 1.00 0.00 H new ATOM 220 N ALA A 15 -0.315 -9.728 -4.269 1.00 0.00 N ATOM 221 CA ALA A 15 0.894 -8.857 -4.295 1.00 0.00 C ATOM 222 C ALA A 15 0.816 -7.816 -3.175 1.00 0.00 C ATOM 223 O ALA A 15 1.567 -7.858 -2.222 1.00 0.00 O ATOM 224 CB ALA A 15 0.861 -8.174 -5.664 1.00 0.00 C ATOM 0 H ALA A 15 -0.973 -9.579 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 15 1.814 -9.421 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.722 -7.513 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.893 -8.930 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.056 -7.592 -5.758 1.00 0.00 H new ATOM 230 N PHE A 16 -0.092 -6.885 -3.282 1.00 0.00 N ATOM 231 CA PHE A 16 -0.224 -5.841 -2.226 1.00 0.00 C ATOM 232 C PHE A 16 -0.094 -6.471 -0.836 1.00 0.00 C ATOM 233 O PHE A 16 0.653 -6.004 0.000 1.00 0.00 O ATOM 234 CB PHE A 16 -1.624 -5.261 -2.422 1.00 0.00 C ATOM 235 CG PHE A 16 -1.858 -4.154 -1.422 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.506 -2.837 -1.739 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.429 -4.447 -0.178 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.726 -1.811 -0.811 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.648 -3.422 0.751 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.296 -2.104 0.434 1.00 0.00 C ATOM 0 H PHE A 16 -0.750 -6.802 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 16 0.551 -5.078 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.731 -4.877 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.373 -6.043 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.065 -2.612 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.701 -5.464 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.456 -0.794 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.088 -3.648 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.464 -1.313 1.150 1.00 0.00 H new ATOM 250 N ALA A 17 -0.816 -7.529 -0.584 1.00 0.00 N ATOM 251 CA ALA A 17 -0.734 -8.186 0.752 1.00 0.00 C ATOM 252 C ALA A 17 0.625 -8.869 0.928 1.00 0.00 C ATOM 253 O ALA A 17 1.090 -9.070 2.033 1.00 0.00 O ATOM 254 CB ALA A 17 -1.858 -9.224 0.752 1.00 0.00 C ATOM 0 H ALA A 17 -1.458 -7.966 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.836 -7.471 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.865 -9.753 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.816 -8.723 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.696 -9.936 -0.057 1.00 0.00 H new ATOM 260 N LEU A 18 1.265 -9.227 -0.150 1.00 0.00 N ATOM 261 CA LEU A 18 2.593 -9.898 -0.040 1.00 0.00 C ATOM 262 C LEU A 18 3.583 -8.998 0.705 1.00 0.00 C ATOM 263 O LEU A 18 4.608 -9.447 1.177 1.00 0.00 O ATOM 264 CB LEU A 18 3.048 -10.117 -1.484 1.00 0.00 C ATOM 265 CG LEU A 18 3.409 -11.589 -1.687 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.371 -11.923 -3.178 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.817 -11.847 -1.143 1.00 0.00 C ATOM 0 H LEU A 18 0.928 -9.085 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 18 2.537 -10.834 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.256 -9.827 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.909 -9.486 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 18 2.692 -12.216 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.628 -12.972 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.370 -11.738 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.088 -11.297 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.076 -12.896 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.533 -11.220 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.846 -11.609 -0.080 1.00 0.00 H new ATOM 279 N PHE A 19 3.285 -7.732 0.818 1.00 0.00 N ATOM 280 CA PHE A 19 4.212 -6.810 1.535 1.00 0.00 C ATOM 281 C PHE A 19 3.464 -6.063 2.643 1.00 0.00 C ATOM 282 O PHE A 19 4.047 -5.319 3.407 1.00 0.00 O ATOM 283 CB PHE A 19 4.708 -5.830 0.470 1.00 0.00 C ATOM 284 CG PHE A 19 5.088 -6.589 -0.779 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.115 -6.882 -1.742 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.413 -6.996 -0.976 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.467 -7.583 -2.901 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.764 -7.699 -2.135 1.00 0.00 C ATOM 289 CZ PHE A 19 5.790 -7.992 -3.097 1.00 0.00 C ATOM 0 H PHE A 19 2.441 -7.297 0.445 1.00 0.00 H new ATOM 0 HA PHE A 19 5.035 -7.344 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.931 -5.101 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.567 -5.274 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.093 -6.567 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.164 -6.768 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.717 -7.808 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.786 -8.015 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.060 -8.534 -3.991 1.00 0.00 H new ATOM 299 N ASP A 20 2.177 -6.255 2.735 1.00 0.00 N ATOM 300 CA ASP A 20 1.392 -5.555 3.793 1.00 0.00 C ATOM 301 C ASP A 20 2.127 -5.632 5.135 1.00 0.00 C ATOM 302 O ASP A 20 1.983 -6.583 5.878 1.00 0.00 O ATOM 303 CB ASP A 20 0.065 -6.307 3.864 1.00 0.00 C ATOM 304 CG ASP A 20 -0.666 -5.935 5.156 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.326 -4.916 5.733 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.555 -6.674 5.545 1.00 0.00 O ATOM 0 H ASP A 20 1.634 -6.866 2.124 1.00 0.00 H new ATOM 0 HA ASP A 20 1.249 -4.498 3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.552 -6.059 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.242 -7.382 3.831 1.00 0.00 H new ATOM 311 N LYS A 21 2.913 -4.639 5.449 1.00 0.00 N ATOM 312 CA LYS A 21 3.656 -4.656 6.742 1.00 0.00 C ATOM 313 C LYS A 21 2.682 -4.509 7.913 1.00 0.00 C ATOM 314 O LYS A 21 2.813 -5.165 8.929 1.00 0.00 O ATOM 315 CB LYS A 21 4.598 -3.453 6.674 1.00 0.00 C ATOM 316 CG LYS A 21 5.687 -3.596 7.739 1.00 0.00 C ATOM 317 CD LYS A 21 7.062 -3.416 7.092 1.00 0.00 C ATOM 318 CE LYS A 21 7.091 -2.098 6.314 1.00 0.00 C ATOM 319 NZ LYS A 21 6.631 -1.067 7.286 1.00 0.00 N ATOM 0 H LYS A 21 3.073 -3.817 4.867 1.00 0.00 H new ATOM 0 HA LYS A 21 4.198 -5.589 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.049 -3.387 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.039 -2.531 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.543 -2.853 8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.621 -4.576 8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.839 -3.416 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.273 -4.250 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.094 -1.877 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.437 -2.139 5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.006 -0.137 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.592 -1.033 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.973 -1.310 8.238 1.00 0.00 H new ATOM 333 N ASP A 22 1.705 -3.655 7.781 1.00 0.00 N ATOM 334 CA ASP A 22 0.723 -3.468 8.889 1.00 0.00 C ATOM 335 C ASP A 22 -0.074 -4.756 9.112 1.00 0.00 C ATOM 336 O ASP A 22 -0.798 -4.889 10.079 1.00 0.00 O ATOM 337 CB ASP A 22 -0.197 -2.342 8.416 1.00 0.00 C ATOM 338 CG ASP A 22 0.576 -1.021 8.404 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.170 -0.715 7.385 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.560 -0.340 9.417 1.00 0.00 O ATOM 0 H ASP A 22 1.543 -3.079 6.955 1.00 0.00 H new ATOM 0 HA ASP A 22 1.208 -3.228 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.576 -2.563 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.062 -2.264 9.075 1.00 0.00 H new ATOM 345 N ASN A 23 0.052 -5.703 8.224 1.00 0.00 N ATOM 346 CA ASN A 23 -0.699 -6.982 8.387 1.00 0.00 C ATOM 347 C ASN A 23 -2.192 -6.697 8.575 1.00 0.00 C ATOM 348 O ASN A 23 -2.892 -7.424 9.251 1.00 0.00 O ATOM 349 CB ASN A 23 -0.114 -7.628 9.643 1.00 0.00 C ATOM 350 CG ASN A 23 1.277 -8.184 9.331 1.00 0.00 C ATOM 351 OD1 ASN A 23 2.160 -7.453 8.929 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.511 -9.457 9.499 1.00 0.00 N ATOM 0 H ASN A 23 0.641 -5.648 7.393 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.606 -7.630 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.052 -6.894 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.767 -8.428 9.991 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.435 -9.837 9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.770 -10.072 9.837 1.00 0.00 H new ATOM 359 N ASN A 24 -2.684 -5.644 7.983 1.00 0.00 N ATOM 360 CA ASN A 24 -4.131 -5.314 8.128 1.00 0.00 C ATOM 361 C ASN A 24 -4.726 -4.933 6.769 1.00 0.00 C ATOM 362 O ASN A 24 -5.788 -4.348 6.689 1.00 0.00 O ATOM 363 CB ASN A 24 -4.171 -4.123 9.085 1.00 0.00 C ATOM 364 CG ASN A 24 -3.265 -3.010 8.554 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.604 -3.177 7.549 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.206 -1.873 9.193 1.00 0.00 N ATOM 0 H ASN A 24 -2.147 -4.997 7.405 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.712 -6.157 8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.193 -3.758 9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.844 -4.430 10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.605 -1.125 8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.761 -1.733 10.037 1.00 0.00 H new ATOM 373 N GLY A 25 -4.049 -5.258 5.702 1.00 0.00 N ATOM 374 CA GLY A 25 -4.576 -4.915 4.352 1.00 0.00 C ATOM 375 C GLY A 25 -4.008 -3.566 3.908 1.00 0.00 C ATOM 376 O GLY A 25 -4.545 -2.910 3.039 1.00 0.00 O ATOM 0 H GLY A 25 -3.154 -5.746 5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.302 -5.690 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.665 -4.873 4.375 1.00 0.00 H new ATOM 380 N SER A 26 -2.923 -3.145 4.500 1.00 0.00 N ATOM 381 CA SER A 26 -2.320 -1.838 4.111 1.00 0.00 C ATOM 382 C SER A 26 -0.801 -1.975 3.976 1.00 0.00 C ATOM 383 O SER A 26 -0.162 -2.672 4.739 1.00 0.00 O ATOM 384 CB SER A 26 -2.673 -0.885 5.251 1.00 0.00 C ATOM 385 OG SER A 26 -1.937 -1.248 6.412 1.00 0.00 O ATOM 0 H SER A 26 -2.428 -3.649 5.236 1.00 0.00 H new ATOM 0 HA SER A 26 -2.692 -1.481 3.151 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.443 0.142 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.743 -0.926 5.457 1.00 0.00 H new ATOM 0 HG SER A 26 -2.206 -2.145 6.703 1.00 0.00 H new ATOM 391 N ILE A 27 -0.220 -1.316 3.012 1.00 0.00 N ATOM 392 CA ILE A 27 1.257 -1.409 2.829 1.00 0.00 C ATOM 393 C ILE A 27 1.871 -0.010 2.755 1.00 0.00 C ATOM 394 O ILE A 27 1.246 0.929 2.304 1.00 0.00 O ATOM 395 CB ILE A 27 1.445 -2.149 1.504 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.104 -1.211 0.343 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.522 -3.367 1.462 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.357 -1.926 -0.986 1.00 0.00 C ATOM 0 H ILE A 27 -0.703 -0.717 2.343 1.00 0.00 H new ATOM 0 HA ILE A 27 1.744 -1.924 3.657 1.00 0.00 H new ATOM 0 HB ILE A 27 2.481 -2.476 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.061 -0.900 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.710 -0.307 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.657 -3.893 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.764 -4.036 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.514 -3.041 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.114 -1.257 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.406 -2.215 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.732 -2.817 -1.045 1.00 0.00 H new ATOM 410 N SER A 28 3.092 0.138 3.191 1.00 0.00 N ATOM 411 CA SER A 28 3.744 1.477 3.140 1.00 0.00 C ATOM 412 C SER A 28 4.045 1.858 1.688 1.00 0.00 C ATOM 413 O SER A 28 4.266 1.008 0.847 1.00 0.00 O ATOM 414 CB SER A 28 5.040 1.318 3.933 1.00 0.00 C ATOM 415 OG SER A 28 5.294 2.513 4.660 1.00 0.00 O ATOM 0 H SER A 28 3.666 -0.610 3.580 1.00 0.00 H new ATOM 0 HA SER A 28 3.111 2.263 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.961 0.473 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.869 1.106 3.258 1.00 0.00 H new ATOM 0 HG SER A 28 6.124 2.414 5.172 1.00 0.00 H new ATOM 421 N SER A 29 4.052 3.127 1.384 1.00 0.00 N ATOM 422 CA SER A 29 4.338 3.555 -0.015 1.00 0.00 C ATOM 423 C SER A 29 5.530 2.773 -0.575 1.00 0.00 C ATOM 424 O SER A 29 5.472 2.225 -1.658 1.00 0.00 O ATOM 425 CB SER A 29 4.670 5.042 0.086 1.00 0.00 C ATOM 426 OG SER A 29 6.077 5.201 0.217 1.00 0.00 O ATOM 0 H SER A 29 3.872 3.885 2.043 1.00 0.00 H new ATOM 0 HA SER A 29 3.497 3.371 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.314 5.567 -0.800 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.161 5.483 0.943 1.00 0.00 H new ATOM 0 HG SER A 29 6.294 6.155 0.280 1.00 0.00 H new ATOM 432 N SER A 30 6.610 2.717 0.156 1.00 0.00 N ATOM 433 CA SER A 30 7.804 1.970 -0.335 1.00 0.00 C ATOM 434 C SER A 30 7.400 0.557 -0.765 1.00 0.00 C ATOM 435 O SER A 30 7.979 -0.017 -1.668 1.00 0.00 O ATOM 436 CB SER A 30 8.755 1.916 0.858 1.00 0.00 C ATOM 437 OG SER A 30 9.333 0.620 0.940 1.00 0.00 O ATOM 0 H SER A 30 6.718 3.155 1.071 1.00 0.00 H new ATOM 0 HA SER A 30 8.264 2.447 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.536 2.669 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.217 2.145 1.778 1.00 0.00 H new ATOM 0 HG SER A 30 9.945 0.583 1.704 1.00 0.00 H new ATOM 443 N GLU A 31 6.413 -0.009 -0.125 1.00 0.00 N ATOM 444 CA GLU A 31 5.975 -1.386 -0.497 1.00 0.00 C ATOM 445 C GLU A 31 5.135 -1.345 -1.776 1.00 0.00 C ATOM 446 O GLU A 31 5.206 -2.231 -2.606 1.00 0.00 O ATOM 447 CB GLU A 31 5.130 -1.864 0.684 1.00 0.00 C ATOM 448 CG GLU A 31 5.930 -1.713 1.980 1.00 0.00 C ATOM 449 CD GLU A 31 6.695 -3.008 2.262 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.540 -3.361 1.456 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.422 -3.624 3.279 1.00 0.00 O ATOM 0 H GLU A 31 5.891 0.421 0.638 1.00 0.00 H new ATOM 0 HA GLU A 31 6.817 -2.050 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.209 -1.285 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.843 -2.906 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.626 -0.878 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.260 -1.486 2.809 1.00 0.00 H new ATOM 458 N LEU A 32 4.339 -0.324 -1.945 1.00 0.00 N ATOM 459 CA LEU A 32 3.497 -0.231 -3.173 1.00 0.00 C ATOM 460 C LEU A 32 4.380 -0.310 -4.421 1.00 0.00 C ATOM 461 O LEU A 32 4.010 -0.898 -5.418 1.00 0.00 O ATOM 462 CB LEU A 32 2.810 1.132 -3.084 1.00 0.00 C ATOM 463 CG LEU A 32 2.029 1.392 -4.373 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.095 0.213 -4.651 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.201 2.670 -4.217 1.00 0.00 C ATOM 0 H LEU A 32 4.235 0.449 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 32 2.774 -1.044 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.137 1.157 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.551 1.916 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 32 2.726 1.507 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.538 0.398 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.682 -0.699 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.398 0.098 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.644 2.857 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.504 2.553 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.865 3.511 -4.018 1.00 0.00 H new ATOM 477 N ALA A 33 5.546 0.275 -4.373 1.00 0.00 N ATOM 478 CA ALA A 33 6.448 0.224 -5.558 1.00 0.00 C ATOM 479 C ALA A 33 6.730 -1.232 -5.933 1.00 0.00 C ATOM 480 O ALA A 33 6.711 -1.601 -7.090 1.00 0.00 O ATOM 481 CB ALA A 33 7.733 0.923 -5.110 1.00 0.00 C ATOM 0 H ALA A 33 5.912 0.784 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 33 6.012 0.703 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.450 0.926 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.507 1.949 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.158 0.392 -4.259 1.00 0.00 H new ATOM 487 N THR A 34 6.981 -2.065 -4.959 1.00 0.00 N ATOM 488 CA THR A 34 7.255 -3.498 -5.258 1.00 0.00 C ATOM 489 C THR A 34 6.012 -4.147 -5.872 1.00 0.00 C ATOM 490 O THR A 34 6.018 -4.567 -7.012 1.00 0.00 O ATOM 491 CB THR A 34 7.580 -4.134 -3.908 1.00 0.00 C ATOM 492 OG1 THR A 34 8.857 -3.690 -3.471 1.00 0.00 O ATOM 493 CG2 THR A 34 7.588 -5.656 -4.054 1.00 0.00 C ATOM 0 H THR A 34 7.008 -1.814 -3.971 1.00 0.00 H new ATOM 0 HA THR A 34 8.071 -3.625 -5.970 1.00 0.00 H new ATOM 0 HB THR A 34 6.827 -3.844 -3.176 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.066 -4.096 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.820 -6.113 -3.092 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.608 -5.994 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.342 -5.947 -4.785 1.00 0.00 H new ATOM 501 N VAL A 35 4.942 -4.226 -5.126 1.00 0.00 N ATOM 502 CA VAL A 35 3.700 -4.843 -5.674 1.00 0.00 C ATOM 503 C VAL A 35 3.445 -4.316 -7.089 1.00 0.00 C ATOM 504 O VAL A 35 2.940 -5.015 -7.945 1.00 0.00 O ATOM 505 CB VAL A 35 2.583 -4.398 -4.730 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.849 -4.947 -3.328 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.537 -2.869 -4.674 1.00 0.00 C ATOM 0 H VAL A 35 4.875 -3.891 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 35 3.767 -5.929 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 35 1.629 -4.778 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.052 -4.629 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.881 -6.036 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.804 -4.568 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.740 -2.553 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.492 -2.489 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.346 -2.474 -5.672 1.00 0.00 H new ATOM 517 N MET A 36 3.794 -3.082 -7.336 1.00 0.00 N ATOM 518 CA MET A 36 3.578 -2.494 -8.688 1.00 0.00 C ATOM 519 C MET A 36 4.341 -3.294 -9.748 1.00 0.00 C ATOM 520 O MET A 36 3.757 -3.849 -10.657 1.00 0.00 O ATOM 521 CB MET A 36 4.130 -1.070 -8.587 1.00 0.00 C ATOM 522 CG MET A 36 3.600 -0.229 -9.750 1.00 0.00 C ATOM 523 SD MET A 36 1.791 -0.192 -9.694 1.00 0.00 S ATOM 524 CE MET A 36 1.630 1.061 -8.399 1.00 0.00 C ATOM 0 H MET A 36 4.221 -2.454 -6.656 1.00 0.00 H new ATOM 0 HA MET A 36 2.529 -2.508 -8.982 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.836 -0.622 -7.638 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.220 -1.090 -8.606 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.997 0.784 -9.690 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.936 -0.648 -10.698 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.576 1.296 -8.249 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.053 0.680 -7.469 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.164 1.963 -8.697 1.00 0.00 H new ATOM 534 N ARG A 37 5.640 -3.357 -9.641 1.00 0.00 N ATOM 535 CA ARG A 37 6.434 -4.121 -10.648 1.00 0.00 C ATOM 536 C ARG A 37 6.216 -5.627 -10.469 1.00 0.00 C ATOM 537 O ARG A 37 6.509 -6.413 -11.347 1.00 0.00 O ATOM 538 CB ARG A 37 7.890 -3.752 -10.363 1.00 0.00 C ATOM 539 CG ARG A 37 8.068 -2.238 -10.482 1.00 0.00 C ATOM 540 CD ARG A 37 9.257 -1.793 -9.629 1.00 0.00 C ATOM 541 NE ARG A 37 10.402 -2.619 -10.106 1.00 0.00 N ATOM 542 CZ ARG A 37 10.860 -2.460 -11.318 1.00 0.00 C ATOM 543 NH1 ARG A 37 10.791 -1.291 -11.893 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.386 -3.472 -11.953 1.00 0.00 N ATOM 0 H ARG A 37 6.186 -2.914 -8.902 1.00 0.00 H new ATOM 0 HA ARG A 37 6.143 -3.881 -11.671 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.171 -4.084 -9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.549 -4.262 -11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.231 -1.962 -11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.162 -1.728 -10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.458 -0.729 -9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.066 -1.957 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 37 10.828 -3.308 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.379 -0.501 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.149 -1.167 -12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.439 -4.385 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.744 -3.349 -12.900 1.00 0.00 H new ATOM 558 N SER A 38 5.706 -6.035 -9.339 1.00 0.00 N ATOM 559 CA SER A 38 5.474 -7.490 -9.106 1.00 0.00 C ATOM 560 C SER A 38 4.332 -7.996 -9.990 1.00 0.00 C ATOM 561 O SER A 38 4.343 -9.121 -10.448 1.00 0.00 O ATOM 562 CB SER A 38 5.098 -7.600 -7.629 1.00 0.00 C ATOM 563 OG SER A 38 6.233 -8.025 -6.886 1.00 0.00 O ATOM 0 H SER A 38 5.440 -5.424 -8.567 1.00 0.00 H new ATOM 0 HA SER A 38 6.351 -8.090 -9.350 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.746 -6.637 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.280 -8.309 -7.502 1.00 0.00 H new ATOM 0 HG SER A 38 5.996 -8.095 -5.938 1.00 0.00 H new ATOM 569 N LEU A 39 3.350 -7.175 -10.235 1.00 0.00 N ATOM 570 CA LEU A 39 2.210 -7.618 -11.090 1.00 0.00 C ATOM 571 C LEU A 39 2.705 -7.936 -12.504 1.00 0.00 C ATOM 572 O LEU A 39 2.134 -8.749 -13.203 1.00 0.00 O ATOM 573 CB LEU A 39 1.240 -6.435 -11.114 1.00 0.00 C ATOM 574 CG LEU A 39 0.423 -6.409 -9.820 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.680 -5.356 -9.935 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.212 -7.781 -9.585 1.00 0.00 C ATOM 0 H LEU A 39 3.286 -6.220 -9.883 1.00 0.00 H new ATOM 0 HA LEU A 39 1.735 -8.521 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.792 -5.502 -11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.575 -6.516 -11.974 1.00 0.00 H new ATOM 0 HG LEU A 39 1.079 -6.164 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.262 -5.337 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.232 -4.376 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.333 -5.603 -10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.793 -7.760 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.867 -8.027 -10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.571 -8.535 -9.503 1.00 0.00 H new ATOM 588 N GLY A 40 3.765 -7.304 -12.929 1.00 0.00 N ATOM 589 CA GLY A 40 4.294 -7.576 -14.296 1.00 0.00 C ATOM 590 C GLY A 40 4.545 -6.254 -15.025 1.00 0.00 C ATOM 591 O GLY A 40 4.368 -6.153 -16.222 1.00 0.00 O ATOM 0 H GLY A 40 4.287 -6.613 -12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.220 -8.148 -14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.583 -8.183 -14.857 1.00 0.00 H new ATOM 595 N LEU A 41 4.958 -5.241 -14.314 1.00 0.00 N ATOM 596 CA LEU A 41 5.221 -3.929 -14.973 1.00 0.00 C ATOM 597 C LEU A 41 6.504 -3.306 -14.416 1.00 0.00 C ATOM 598 O LEU A 41 7.128 -3.840 -13.521 1.00 0.00 O ATOM 599 CB LEU A 41 4.011 -3.059 -14.631 1.00 0.00 C ATOM 600 CG LEU A 41 3.653 -3.231 -13.155 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.245 -1.879 -12.567 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.487 -4.213 -13.026 1.00 0.00 C ATOM 0 H LEU A 41 5.125 -5.264 -13.308 1.00 0.00 H new ATOM 0 HA LEU A 41 5.357 -4.030 -16.050 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.232 -2.013 -14.842 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.162 -3.338 -15.256 1.00 0.00 H new ATOM 0 HG LEU A 41 4.517 -3.617 -12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.990 -2.002 -11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.074 -1.177 -12.660 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.380 -1.493 -13.107 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.230 -4.337 -11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.624 -3.826 -13.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.775 -5.177 -13.445 1.00 0.00 H new ATOM 614 N SER A 42 6.904 -2.180 -14.941 1.00 0.00 N ATOM 615 CA SER A 42 8.147 -1.524 -14.443 1.00 0.00 C ATOM 616 C SER A 42 8.253 -0.102 -14.998 1.00 0.00 C ATOM 617 O SER A 42 8.862 0.122 -16.026 1.00 0.00 O ATOM 618 CB SER A 42 9.290 -2.391 -14.969 1.00 0.00 C ATOM 619 OG SER A 42 10.523 -1.901 -14.460 1.00 0.00 O ATOM 0 H SER A 42 6.424 -1.686 -15.693 1.00 0.00 H new ATOM 0 HA SER A 42 8.164 -1.443 -13.356 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.145 -3.428 -14.666 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.301 -2.376 -16.059 1.00 0.00 H new ATOM 0 HG SER A 42 11.258 -2.456 -14.794 1.00 0.00 H new ATOM 625 N PRO A 43 7.651 0.816 -14.293 1.00 0.00 N ATOM 626 CA PRO A 43 7.672 2.239 -14.713 1.00 0.00 C ATOM 627 C PRO A 43 9.063 2.841 -14.493 1.00 0.00 C ATOM 628 O PRO A 43 10.035 2.134 -14.311 1.00 0.00 O ATOM 629 CB PRO A 43 6.642 2.897 -13.799 1.00 0.00 C ATOM 630 CG PRO A 43 6.578 2.017 -12.591 1.00 0.00 C ATOM 631 CD PRO A 43 6.901 0.618 -13.047 1.00 0.00 C ATOM 0 HA PRO A 43 7.446 2.378 -15.770 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.941 3.911 -13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.670 2.969 -14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.288 2.349 -11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.587 2.056 -12.138 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.494 0.083 -12.305 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.996 0.034 -13.214 1.00 0.00 H new ATOM 639 N SER A 44 9.166 4.142 -14.508 1.00 0.00 N ATOM 640 CA SER A 44 10.496 4.786 -14.300 1.00 0.00 C ATOM 641 C SER A 44 10.445 5.730 -13.095 1.00 0.00 C ATOM 642 O SER A 44 9.387 6.060 -12.598 1.00 0.00 O ATOM 643 CB SER A 44 10.760 5.571 -15.584 1.00 0.00 C ATOM 644 OG SER A 44 10.012 4.996 -16.647 1.00 0.00 O ATOM 0 H SER A 44 8.389 4.786 -14.655 1.00 0.00 H new ATOM 0 HA SER A 44 11.281 4.057 -14.099 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.479 6.616 -15.450 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.824 5.555 -15.822 1.00 0.00 H new ATOM 0 HG SER A 44 10.177 5.498 -17.472 1.00 0.00 H new ATOM 650 N GLU A 45 11.581 6.165 -12.622 1.00 0.00 N ATOM 651 CA GLU A 45 11.596 7.088 -11.451 1.00 0.00 C ATOM 652 C GLU A 45 10.508 8.154 -11.604 1.00 0.00 C ATOM 653 O GLU A 45 9.564 8.204 -10.840 1.00 0.00 O ATOM 654 CB GLU A 45 12.983 7.731 -11.470 1.00 0.00 C ATOM 655 CG GLU A 45 13.750 7.326 -10.209 1.00 0.00 C ATOM 656 CD GLU A 45 13.412 8.294 -9.073 1.00 0.00 C ATOM 657 OE1 GLU A 45 12.879 9.353 -9.363 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.692 7.960 -7.934 1.00 0.00 O ATOM 0 H GLU A 45 12.499 5.922 -12.995 1.00 0.00 H new ATOM 0 HA GLU A 45 11.401 6.568 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.530 7.415 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.892 8.816 -11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.488 6.307 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.822 7.337 -10.404 1.00 0.00 H new ATOM 665 N ALA A 46 10.630 9.003 -12.587 1.00 0.00 N ATOM 666 CA ALA A 46 9.599 10.061 -12.787 1.00 0.00 C ATOM 667 C ALA A 46 8.198 9.464 -12.637 1.00 0.00 C ATOM 668 O ALA A 46 7.400 9.920 -11.842 1.00 0.00 O ATOM 669 CB ALA A 46 9.819 10.564 -14.215 1.00 0.00 C ATOM 0 H ALA A 46 11.397 9.010 -13.259 1.00 0.00 H new ATOM 0 HA ALA A 46 9.683 10.865 -12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.096 11.348 -14.440 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.829 10.964 -14.308 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.689 9.739 -14.915 1.00 0.00 H new ATOM 675 N GLU A 47 7.894 8.445 -13.394 1.00 0.00 N ATOM 676 CA GLU A 47 6.546 7.817 -13.292 1.00 0.00 C ATOM 677 C GLU A 47 6.240 7.466 -11.833 1.00 0.00 C ATOM 678 O GLU A 47 5.112 7.543 -11.389 1.00 0.00 O ATOM 679 CB GLU A 47 6.634 6.549 -14.141 1.00 0.00 C ATOM 680 CG GLU A 47 5.229 6.119 -14.564 1.00 0.00 C ATOM 681 CD GLU A 47 5.193 5.908 -16.079 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.037 6.473 -16.756 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.322 5.186 -16.537 1.00 0.00 O ATOM 0 H GLU A 47 8.520 8.021 -14.078 1.00 0.00 H new ATOM 0 HA GLU A 47 5.752 8.481 -13.634 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.251 6.730 -15.021 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.114 5.752 -13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.949 5.199 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.502 6.878 -14.275 1.00 0.00 H new ATOM 690 N VAL A 48 7.239 7.085 -11.084 1.00 0.00 N ATOM 691 CA VAL A 48 7.008 6.732 -9.655 1.00 0.00 C ATOM 692 C VAL A 48 6.689 7.993 -8.847 1.00 0.00 C ATOM 693 O VAL A 48 5.713 8.051 -8.127 1.00 0.00 O ATOM 694 CB VAL A 48 8.322 6.111 -9.180 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.092 5.376 -7.858 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.827 5.120 -10.231 1.00 0.00 C ATOM 0 H VAL A 48 8.205 7.003 -11.400 1.00 0.00 H new ATOM 0 HA VAL A 48 6.167 6.050 -9.529 1.00 0.00 H new ATOM 0 HB VAL A 48 9.063 6.897 -9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.029 4.934 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.732 6.080 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.351 4.590 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.764 4.677 -9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.086 4.334 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.992 5.642 -11.174 1.00 0.00 H new ATOM 706 N ASN A 49 7.506 9.005 -8.965 1.00 0.00 N ATOM 707 CA ASN A 49 7.248 10.262 -8.206 1.00 0.00 C ATOM 708 C ASN A 49 5.772 10.651 -8.316 1.00 0.00 C ATOM 709 O ASN A 49 5.131 10.978 -7.337 1.00 0.00 O ATOM 710 CB ASN A 49 8.132 11.316 -8.874 1.00 0.00 C ATOM 711 CG ASN A 49 8.353 12.483 -7.909 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.463 13.281 -7.687 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.511 12.619 -7.323 1.00 0.00 N ATOM 0 H ASN A 49 8.339 9.016 -9.553 1.00 0.00 H new ATOM 0 HA ASN A 49 7.471 10.157 -7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.089 10.877 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.662 11.672 -9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.669 13.394 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.258 11.950 -7.509 1.00 0.00 H new ATOM 720 N ASP A 50 5.227 10.615 -9.501 1.00 0.00 N ATOM 721 CA ASP A 50 3.791 10.981 -9.673 1.00 0.00 C ATOM 722 C ASP A 50 2.897 9.829 -9.207 1.00 0.00 C ATOM 723 O ASP A 50 1.872 10.037 -8.587 1.00 0.00 O ATOM 724 CB ASP A 50 3.620 11.220 -11.173 1.00 0.00 C ATOM 725 CG ASP A 50 2.862 12.530 -11.398 1.00 0.00 C ATOM 726 OD1 ASP A 50 2.042 12.868 -10.561 1.00 0.00 O ATOM 727 OD2 ASP A 50 3.114 13.173 -12.404 1.00 0.00 O ATOM 0 H ASP A 50 5.713 10.348 -10.357 1.00 0.00 H new ATOM 0 HA ASP A 50 3.513 11.858 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.595 11.264 -11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.076 10.390 -11.625 1.00 0.00 H new ATOM 732 N LEU A 51 3.275 8.616 -9.501 1.00 0.00 N ATOM 733 CA LEU A 51 2.447 7.451 -9.074 1.00 0.00 C ATOM 734 C LEU A 51 2.096 7.569 -7.589 1.00 0.00 C ATOM 735 O LEU A 51 0.957 7.411 -7.196 1.00 0.00 O ATOM 736 CB LEU A 51 3.328 6.227 -9.322 1.00 0.00 C ATOM 737 CG LEU A 51 2.818 5.468 -10.548 1.00 0.00 C ATOM 738 CD1 LEU A 51 2.586 6.450 -11.699 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.857 4.427 -10.972 1.00 0.00 C ATOM 0 H LEU A 51 4.122 8.380 -10.019 1.00 0.00 H new ATOM 0 HA LEU A 51 1.505 7.391 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.362 6.536 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.317 5.576 -8.448 1.00 0.00 H new ATOM 0 HG LEU A 51 1.881 4.970 -10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.223 5.908 -12.572 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.847 7.193 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.523 6.949 -11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.494 3.886 -11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.794 4.927 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.024 3.726 -10.154 1.00 0.00 H new ATOM 751 N MET A 52 3.066 7.844 -6.761 1.00 0.00 N ATOM 752 CA MET A 52 2.788 7.972 -5.301 1.00 0.00 C ATOM 753 C MET A 52 2.192 9.348 -4.997 1.00 0.00 C ATOM 754 O MET A 52 1.245 9.473 -4.245 1.00 0.00 O ATOM 755 CB MET A 52 4.149 7.814 -4.624 1.00 0.00 C ATOM 756 CG MET A 52 4.824 6.537 -5.126 1.00 0.00 C ATOM 757 SD MET A 52 3.682 5.143 -4.955 1.00 0.00 S ATOM 758 CE MET A 52 3.600 5.137 -3.147 1.00 0.00 C ATOM 0 H MET A 52 4.039 7.986 -7.031 1.00 0.00 H new ATOM 0 HA MET A 52 2.070 7.231 -4.949 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.777 8.679 -4.840 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.026 7.772 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.118 6.654 -6.169 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.735 6.347 -4.558 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.582 4.108 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.473 5.648 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.696 5.651 -2.822 1.00 0.00 H new ATOM 768 N ASN A 53 2.739 10.383 -5.573 1.00 0.00 N ATOM 769 CA ASN A 53 2.202 11.750 -5.315 1.00 0.00 C ATOM 770 C ASN A 53 0.674 11.743 -5.404 1.00 0.00 C ATOM 771 O ASN A 53 0.004 12.559 -4.802 1.00 0.00 O ATOM 772 CB ASN A 53 2.799 12.625 -6.418 1.00 0.00 C ATOM 773 CG ASN A 53 3.803 13.604 -5.806 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.951 13.263 -5.596 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.419 14.814 -5.510 1.00 0.00 N ATOM 0 H ASN A 53 3.534 10.342 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 53 2.461 12.114 -4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.291 12.002 -7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.008 13.172 -6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.081 15.474 -5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.456 15.101 -5.686 1.00 0.00 H new ATOM 782 N GLU A 54 0.119 10.827 -6.148 1.00 0.00 N ATOM 783 CA GLU A 54 -1.366 10.767 -6.273 1.00 0.00 C ATOM 784 C GLU A 54 -1.989 10.280 -4.962 1.00 0.00 C ATOM 785 O GLU A 54 -3.119 10.595 -4.646 1.00 0.00 O ATOM 786 CB GLU A 54 -1.628 9.763 -7.397 1.00 0.00 C ATOM 787 CG GLU A 54 -2.259 10.484 -8.589 1.00 0.00 C ATOM 788 CD GLU A 54 -2.437 9.498 -9.746 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.008 8.445 -9.518 1.00 0.00 O ATOM 790 OE2 GLU A 54 -2.000 9.814 -10.840 1.00 0.00 O ATOM 0 H GLU A 54 0.628 10.117 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.802 11.743 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.695 9.287 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.290 8.972 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.223 10.905 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.627 11.316 -8.900 1.00 0.00 H new ATOM 797 N ILE A 55 -1.259 9.514 -4.197 1.00 0.00 N ATOM 798 CA ILE A 55 -1.810 9.009 -2.907 1.00 0.00 C ATOM 799 C ILE A 55 -0.917 9.447 -1.743 1.00 0.00 C ATOM 800 O ILE A 55 -1.332 9.462 -0.601 1.00 0.00 O ATOM 801 CB ILE A 55 -1.804 7.486 -3.044 1.00 0.00 C ATOM 802 CG1 ILE A 55 -2.044 6.851 -1.672 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.450 7.028 -3.587 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.798 5.343 -1.757 1.00 0.00 C ATOM 0 H ILE A 55 -0.307 9.217 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.808 9.396 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.593 7.179 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.380 7.297 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.065 7.046 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.446 5.942 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.277 7.481 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.340 7.334 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.969 4.891 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.480 4.903 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.769 5.159 -2.067 1.00 0.00 H new ATOM 816 N ASP A 56 0.307 9.803 -2.023 1.00 0.00 N ATOM 817 CA ASP A 56 1.225 10.239 -0.933 1.00 0.00 C ATOM 818 C ASP A 56 0.774 11.591 -0.372 1.00 0.00 C ATOM 819 O ASP A 56 0.492 12.516 -1.106 1.00 0.00 O ATOM 820 CB ASP A 56 2.597 10.366 -1.596 1.00 0.00 C ATOM 821 CG ASP A 56 3.562 11.073 -0.644 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.268 11.120 0.540 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.578 11.558 -1.114 1.00 0.00 O ATOM 0 H ASP A 56 0.711 9.811 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 56 1.239 9.537 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.981 9.379 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.512 10.927 -2.527 1.00 0.00 H new ATOM 828 N VAL A 57 0.704 11.711 0.926 1.00 0.00 N ATOM 829 CA VAL A 57 0.271 13.002 1.533 1.00 0.00 C ATOM 830 C VAL A 57 1.380 13.565 2.426 1.00 0.00 C ATOM 831 O VAL A 57 1.335 14.706 2.844 1.00 0.00 O ATOM 832 CB VAL A 57 -0.964 12.656 2.364 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.537 11.884 3.615 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.676 13.944 2.779 1.00 0.00 C ATOM 0 H VAL A 57 0.928 10.971 1.592 1.00 0.00 H new ATOM 0 HA VAL A 57 0.055 13.760 0.780 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.641 12.041 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.417 11.637 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.029 10.966 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.140 12.499 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.557 13.698 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.999 14.559 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.980 14.495 1.889 1.00 0.00 H new ATOM 844 N ASP A 58 2.374 12.774 2.723 1.00 0.00 N ATOM 845 CA ASP A 58 3.485 13.265 3.589 1.00 0.00 C ATOM 846 C ASP A 58 4.713 12.362 3.438 1.00 0.00 C ATOM 847 O ASP A 58 5.450 12.138 4.377 1.00 0.00 O ATOM 848 CB ASP A 58 2.937 13.191 5.014 1.00 0.00 C ATOM 849 CG ASP A 58 3.544 14.316 5.855 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.189 15.460 5.623 1.00 0.00 O ATOM 851 OD2 ASP A 58 4.355 14.014 6.715 1.00 0.00 O ATOM 0 H ASP A 58 2.466 11.809 2.404 1.00 0.00 H new ATOM 0 HA ASP A 58 3.800 14.275 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.851 13.278 5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.175 12.224 5.456 1.00 0.00 H new ATOM 856 N GLY A 59 4.936 11.842 2.262 1.00 0.00 N ATOM 857 CA GLY A 59 6.115 10.955 2.052 1.00 0.00 C ATOM 858 C GLY A 59 5.791 9.546 2.550 1.00 0.00 C ATOM 859 O GLY A 59 5.772 8.598 1.791 1.00 0.00 O ATOM 0 H GLY A 59 4.353 11.993 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.378 10.927 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.980 11.350 2.585 1.00 0.00 H new ATOM 863 N ASN A 60 5.534 9.400 3.822 1.00 0.00 N ATOM 864 CA ASN A 60 5.210 8.050 4.367 1.00 0.00 C ATOM 865 C ASN A 60 3.717 7.955 4.693 1.00 0.00 C ATOM 866 O ASN A 60 3.089 8.929 5.055 1.00 0.00 O ATOM 867 CB ASN A 60 6.046 7.927 5.642 1.00 0.00 C ATOM 868 CG ASN A 60 5.908 6.513 6.209 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.909 6.186 6.819 1.00 0.00 O ATOM 870 ND2 ASN A 60 6.876 5.655 6.033 1.00 0.00 N ATOM 0 H ASN A 60 5.534 10.156 4.507 1.00 0.00 H new ATOM 0 HA ASN A 60 5.431 7.254 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.092 8.143 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.715 8.659 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.794 4.710 6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.714 5.930 5.521 1.00 0.00 H new ATOM 877 N HIS A 61 3.146 6.789 4.566 1.00 0.00 N ATOM 878 CA HIS A 61 1.694 6.633 4.868 1.00 0.00 C ATOM 879 C HIS A 61 1.273 5.169 4.708 1.00 0.00 C ATOM 880 O HIS A 61 1.975 4.373 4.117 1.00 0.00 O ATOM 881 CB HIS A 61 0.979 7.513 3.843 1.00 0.00 C ATOM 882 CG HIS A 61 1.066 6.875 2.484 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.972 5.866 2.196 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.365 7.090 1.322 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.795 5.516 0.908 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.828 6.232 0.330 1.00 0.00 N ATOM 0 H HIS A 61 3.621 5.938 4.266 1.00 0.00 H new ATOM 0 HA HIS A 61 1.452 6.921 5.891 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.065 7.646 4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.432 8.504 3.820 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.650 5.462 2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.426 7.815 1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.366 4.750 0.404 1.00 0.00 H new ATOM 894 N GLN A 62 0.132 4.810 5.228 1.00 0.00 N ATOM 895 CA GLN A 62 -0.333 3.399 5.103 1.00 0.00 C ATOM 896 C GLN A 62 -1.276 3.258 3.904 1.00 0.00 C ATOM 897 O GLN A 62 -2.418 3.670 3.949 1.00 0.00 O ATOM 898 CB GLN A 62 -1.077 3.111 6.407 1.00 0.00 C ATOM 899 CG GLN A 62 -0.079 3.062 7.566 1.00 0.00 C ATOM 900 CD GLN A 62 -0.537 4.009 8.675 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.653 4.490 8.659 1.00 0.00 O ATOM 902 NE2 GLN A 62 0.284 4.301 9.648 1.00 0.00 N ATOM 0 H GLN A 62 -0.499 5.432 5.734 1.00 0.00 H new ATOM 0 HA GLN A 62 0.491 2.704 4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.824 3.883 6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.610 2.163 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.002 2.045 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.914 3.347 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.221 3.898 9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.012 4.932 10.393 1.00 0.00 H new ATOM 911 N ILE A 63 -0.805 2.682 2.832 1.00 0.00 N ATOM 912 CA ILE A 63 -1.674 2.518 1.632 1.00 0.00 C ATOM 913 C ILE A 63 -2.720 1.426 1.878 1.00 0.00 C ATOM 914 O ILE A 63 -2.536 0.553 2.703 1.00 0.00 O ATOM 915 CB ILE A 63 -0.723 2.103 0.509 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.294 3.221 0.265 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.522 1.856 -0.772 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.216 2.829 -0.890 1.00 0.00 C ATOM 0 H ILE A 63 0.143 2.318 2.735 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.219 3.431 1.391 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.201 1.189 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.222 4.152 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.879 3.398 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.844 1.560 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.249 1.062 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.043 2.770 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.940 3.625 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.742 1.908 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.624 2.674 -1.792 1.00 0.00 H new ATOM 930 N GLU A 64 -3.812 1.469 1.166 1.00 0.00 N ATOM 931 CA GLU A 64 -4.867 0.433 1.357 1.00 0.00 C ATOM 932 C GLU A 64 -5.110 -0.318 0.045 1.00 0.00 C ATOM 933 O GLU A 64 -5.317 0.278 -0.993 1.00 0.00 O ATOM 934 CB GLU A 64 -6.118 1.212 1.768 1.00 0.00 C ATOM 935 CG GLU A 64 -6.702 0.603 3.044 1.00 0.00 C ATOM 936 CD GLU A 64 -7.247 -0.793 2.741 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.135 -0.893 1.911 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.767 -1.738 3.345 1.00 0.00 O ATOM 0 H GLU A 64 -4.020 2.176 0.461 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.587 -0.310 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.869 2.260 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.857 1.183 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.935 0.546 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.498 1.239 3.432 1.00 0.00 H new ATOM 945 N PHE A 65 -5.083 -1.622 0.083 1.00 0.00 N ATOM 946 CA PHE A 65 -5.310 -2.409 -1.164 1.00 0.00 C ATOM 947 C PHE A 65 -6.465 -1.807 -1.967 1.00 0.00 C ATOM 948 O PHE A 65 -6.435 -1.766 -3.181 1.00 0.00 O ATOM 949 CB PHE A 65 -5.665 -3.817 -0.686 1.00 0.00 C ATOM 950 CG PHE A 65 -5.815 -4.728 -1.880 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.800 -4.796 -2.840 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.971 -5.507 -2.025 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.940 -5.641 -3.948 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.110 -6.352 -3.132 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.094 -6.419 -4.094 1.00 0.00 C ATOM 0 H PHE A 65 -4.914 -2.177 0.922 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.437 -2.409 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.887 -4.194 -0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.591 -3.796 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.909 -4.197 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.754 -5.455 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.157 -5.692 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.001 -6.952 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.201 -7.071 -4.948 1.00 0.00 H new ATOM 965 N SER A 66 -7.485 -1.339 -1.300 1.00 0.00 N ATOM 966 CA SER A 66 -8.641 -0.741 -2.027 1.00 0.00 C ATOM 967 C SER A 66 -8.187 0.487 -2.820 1.00 0.00 C ATOM 968 O SER A 66 -8.058 0.445 -4.028 1.00 0.00 O ATOM 969 CB SER A 66 -9.631 -0.338 -0.935 1.00 0.00 C ATOM 970 OG SER A 66 -10.821 -1.103 -1.075 1.00 0.00 O ATOM 0 H SER A 66 -7.568 -1.345 -0.283 1.00 0.00 H new ATOM 0 HA SER A 66 -9.084 -1.435 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.192 -0.503 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.858 0.726 -1.008 1.00 0.00 H new ATOM 0 HG SER A 66 -11.458 -0.848 -0.375 1.00 0.00 H new ATOM 976 N GLU A 67 -7.944 1.581 -2.151 1.00 0.00 N ATOM 977 CA GLU A 67 -7.499 2.810 -2.868 1.00 0.00 C ATOM 978 C GLU A 67 -6.342 2.479 -3.815 1.00 0.00 C ATOM 979 O GLU A 67 -6.268 2.980 -4.919 1.00 0.00 O ATOM 980 CB GLU A 67 -7.034 3.764 -1.768 1.00 0.00 C ATOM 981 CG GLU A 67 -5.973 3.076 -0.908 1.00 0.00 C ATOM 982 CD GLU A 67 -5.641 3.956 0.298 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.526 4.667 0.749 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.510 3.907 0.751 1.00 0.00 O ATOM 0 H GLU A 67 -8.034 1.677 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.293 3.244 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.625 4.673 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.880 4.063 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.336 2.104 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.074 2.895 -1.497 1.00 0.00 H new ATOM 991 N PHE A 68 -5.438 1.638 -3.392 1.00 0.00 N ATOM 992 CA PHE A 68 -4.289 1.275 -4.268 1.00 0.00 C ATOM 993 C PHE A 68 -4.784 0.928 -5.675 1.00 0.00 C ATOM 994 O PHE A 68 -4.438 1.574 -6.643 1.00 0.00 O ATOM 995 CB PHE A 68 -3.655 0.052 -3.605 1.00 0.00 C ATOM 996 CG PHE A 68 -2.709 -0.618 -4.574 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.079 0.135 -5.573 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.462 -1.992 -4.474 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.202 -0.486 -6.470 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.585 -2.613 -5.370 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.955 -1.860 -6.369 1.00 0.00 C ATOM 0 H PHE A 68 -5.446 1.187 -2.477 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.578 2.094 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.118 0.351 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.430 -0.649 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.270 1.195 -5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.949 -2.573 -3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.716 0.095 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.394 -3.673 -5.291 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.279 -2.340 -7.061 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.592 -0.090 -5.793 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.111 -0.479 -7.137 1.00 0.00 C ATOM 1013 C LEU A 69 -7.196 0.501 -7.588 1.00 0.00 C ATOM 1014 O LEU A 69 -7.188 0.980 -8.705 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.696 -1.878 -6.944 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.623 -2.926 -7.243 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.332 -2.560 -6.510 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.106 -4.298 -6.767 1.00 0.00 C ATOM 0 H LEU A 69 -5.916 -0.669 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.334 -0.464 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.058 -1.994 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.552 -2.020 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.435 -2.957 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.568 -3.307 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.987 -1.582 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.519 -2.529 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.342 -5.046 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.294 -4.265 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.026 -4.561 -7.288 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.130 0.804 -6.729 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.214 1.754 -7.110 1.00 0.00 C ATOM 1032 C ALA A 70 -8.620 2.983 -7.803 1.00 0.00 C ATOM 1033 O ALA A 70 -9.277 3.647 -8.580 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.875 2.151 -5.789 1.00 0.00 C ATOM 0 H ALA A 70 -8.190 0.435 -5.780 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.927 1.310 -7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.687 2.852 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.273 1.262 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.137 2.622 -5.140 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.382 3.290 -7.528 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.748 4.476 -8.172 1.00 0.00 C ATOM 1042 C LEU A 71 -5.761 4.026 -9.253 1.00 0.00 C ATOM 1043 O LEU A 71 -5.494 4.739 -10.200 1.00 0.00 O ATOM 1044 CB LEU A 71 -6.012 5.196 -7.041 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.951 6.211 -6.386 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.283 5.536 -6.057 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.313 6.735 -5.098 1.00 0.00 C ATOM 0 H LEU A 71 -6.782 2.772 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.479 5.122 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.666 4.475 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.128 5.701 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.125 7.041 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.952 6.259 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.737 5.161 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.111 4.706 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.980 7.458 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.140 5.904 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.363 7.216 -5.332 1.00 0.00 H new ATOM 1059 N MET A 72 -5.217 2.847 -9.119 1.00 0.00 N ATOM 1060 CA MET A 72 -4.248 2.352 -10.139 1.00 0.00 C ATOM 1061 C MET A 72 -4.975 2.034 -11.448 1.00 0.00 C ATOM 1062 O MET A 72 -4.369 1.918 -12.495 1.00 0.00 O ATOM 1063 CB MET A 72 -3.650 1.082 -9.534 1.00 0.00 C ATOM 1064 CG MET A 72 -2.170 1.311 -9.222 1.00 0.00 C ATOM 1065 SD MET A 72 -1.290 1.729 -10.748 1.00 0.00 S ATOM 1066 CE MET A 72 -0.349 3.127 -10.091 1.00 0.00 C ATOM 0 H MET A 72 -5.401 2.205 -8.348 1.00 0.00 H new ATOM 0 HA MET A 72 -3.481 3.091 -10.374 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.187 0.813 -8.624 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.761 0.249 -10.228 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.061 2.115 -8.495 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.739 0.416 -8.774 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.738 4.056 -10.509 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.442 3.150 -9.005 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.701 3.019 -10.363 1.00 0.00 H new ATOM 1076 N SER A 73 -6.272 1.892 -11.398 1.00 0.00 N ATOM 1077 CA SER A 73 -7.037 1.581 -12.639 1.00 0.00 C ATOM 1078 C SER A 73 -7.045 2.794 -13.573 1.00 0.00 C ATOM 1079 O SER A 73 -7.502 2.722 -14.697 1.00 0.00 O ATOM 1080 CB SER A 73 -8.453 1.261 -12.163 1.00 0.00 C ATOM 1081 OG SER A 73 -8.949 2.353 -11.400 1.00 0.00 O ATOM 0 H SER A 73 -6.835 1.978 -10.552 1.00 0.00 H new ATOM 0 HA SER A 73 -6.599 0.754 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.103 1.074 -13.018 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.450 0.353 -11.560 1.00 0.00 H new ATOM 0 HG SER A 73 -9.858 2.152 -11.094 1.00 0.00 H new