USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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 Single : A 7 GLN : amide:sc= 0.26 K(o=0.26,f=-1.4) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.61 K(o=0.61,f=-6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 50:sc= 1.32 USER MOD Single : A 37 ASN : amide:sc= -1.18 K(o=-1.2,f=-4!) USER MOD Single : A 40 GLN : amide:sc=-0.00865 X(o=-0.0087,f=-0.47) USER MOD Single : A 44 HIS :FLIP no HD1:sc= 0.197 F(o=-1.8!,f=0.2) USER MOD Single : A 45 SER OG : rot 28:sc= 1.22 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= -0.895 (180deg=-0.977) USER MOD Single : A 49 MET CE :methyl -140:sc= -0.0418 (180deg=-0.762) USER MOD Single : A 54 GLN : amide:sc= -0.325 K(o=-0.33,f=-1.5!) USER MOD Single : A 56 HIS :FLIP no HE2:sc= 0.0636 F(o=-0.47,f=0.064) USER MOD Single : A 59 TYR OH : rot 130:sc= -0.127 USER MOD Single : A 60 GLN : amide:sc= 0.57 K(o=0.57,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.839 K(o=-0.84,f=-6.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0212) USER MOD Single : A 79 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.2) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -10:sc= 0.821 USER MOD Single : A 85 SER OG : rot -34:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -21.982 12.071 7.717 1.00 0.00 N ATOM 58 CA GLU A 5 -22.604 10.859 8.284 1.00 0.00 C ATOM 59 C GLU A 5 -24.039 10.629 7.751 1.00 0.00 C ATOM 60 O GLU A 5 -24.515 11.376 6.897 1.00 0.00 O ATOM 61 CB GLU A 5 -22.543 10.938 9.821 1.00 0.00 C ATOM 62 CG GLU A 5 -23.374 12.025 10.530 1.00 0.00 C ATOM 63 CD GLU A 5 -22.913 13.477 10.334 1.00 0.00 C ATOM 64 OE1 GLU A 5 -21.725 13.694 9.995 1.00 0.00 O ATOM 65 OE2 GLU A 5 -23.792 14.359 10.401 1.00 0.00 O ATOM 0 HA GLU A 5 -22.041 9.984 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.854 9.971 10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.500 11.078 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -24.405 11.945 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.377 11.809 11.598 1.00 0.00 H new ATOM 72 N ALA A 6 -24.718 9.618 8.296 1.00 0.00 N ATOM 73 CA ALA A 6 -26.054 9.125 7.882 1.00 0.00 C ATOM 74 C ALA A 6 -26.020 8.478 6.485 1.00 0.00 C ATOM 75 O ALA A 6 -25.951 7.255 6.408 1.00 0.00 O ATOM 76 CB ALA A 6 -27.163 10.180 8.028 1.00 0.00 C ATOM 0 H ALA A 6 -24.340 9.086 9.080 1.00 0.00 H new ATOM 0 HA ALA A 6 -26.320 8.336 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -28.114 9.755 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -27.236 10.489 9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.926 11.045 7.409 1.00 0.00 H new ATOM 82 N GLN A 7 -25.857 9.300 5.443 1.00 0.00 N ATOM 83 CA GLN A 7 -25.685 8.940 4.012 1.00 0.00 C ATOM 84 C GLN A 7 -26.596 7.896 3.329 1.00 0.00 C ATOM 85 O GLN A 7 -27.238 8.219 2.333 1.00 0.00 O ATOM 86 CB GLN A 7 -24.207 8.717 3.637 1.00 0.00 C ATOM 87 CG GLN A 7 -23.430 7.751 4.542 1.00 0.00 C ATOM 88 CD GLN A 7 -22.005 7.521 4.040 1.00 0.00 C ATOM 89 OE1 GLN A 7 -21.625 6.422 3.655 1.00 0.00 O ATOM 90 NE2 GLN A 7 -21.143 8.493 4.231 1.00 0.00 N ATOM 0 H GLN A 7 -25.839 10.311 5.576 1.00 0.00 H new ATOM 0 HA GLN A 7 -26.086 9.854 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -24.163 8.343 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -23.699 9.682 3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -23.398 8.150 5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -23.956 6.797 4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -21.466 9.406 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -20.150 8.335 4.059 1.00 0.00 H new ATOM 99 N TYR A 8 -26.646 6.683 3.884 1.00 0.00 N ATOM 100 CA TYR A 8 -27.388 5.517 3.348 1.00 0.00 C ATOM 101 C TYR A 8 -27.303 4.307 4.301 1.00 0.00 C ATOM 102 O TYR A 8 -28.299 3.924 4.901 1.00 0.00 O ATOM 103 CB TYR A 8 -26.909 5.132 1.935 1.00 0.00 C ATOM 104 CG TYR A 8 -27.849 4.119 1.271 1.00 0.00 C ATOM 105 CD1 TYR A 8 -29.148 4.494 0.944 1.00 0.00 C ATOM 106 CD2 TYR A 8 -27.439 2.805 1.082 1.00 0.00 C ATOM 107 CE1 TYR A 8 -30.046 3.551 0.464 1.00 0.00 C ATOM 108 CE2 TYR A 8 -28.332 1.862 0.590 1.00 0.00 C ATOM 109 CZ TYR A 8 -29.640 2.234 0.298 1.00 0.00 C ATOM 110 OH TYR A 8 -30.538 1.304 -0.114 1.00 0.00 O ATOM 0 H TYR A 8 -26.156 6.468 4.752 1.00 0.00 H new ATOM 0 HA TYR A 8 -28.434 5.816 3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.844 6.027 1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.905 4.712 1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -29.458 5.521 1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.425 2.517 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -31.057 3.841 0.220 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -28.012 0.842 0.435 1.00 0.00 H new ATOM 0 HH TYR A 8 -30.097 0.431 -0.182 1.00 0.00 H new ATOM 120 N VAL A 9 -26.085 3.780 4.462 1.00 0.00 N ATOM 121 CA VAL A 9 -25.733 2.621 5.326 1.00 0.00 C ATOM 122 C VAL A 9 -26.517 1.337 4.960 1.00 0.00 C ATOM 123 O VAL A 9 -27.621 1.104 5.442 1.00 0.00 O ATOM 124 CB VAL A 9 -25.883 2.900 6.844 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.142 1.843 7.672 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.421 4.290 7.296 1.00 0.00 C ATOM 0 H VAL A 9 -25.272 4.159 3.976 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.675 2.458 5.122 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.958 2.854 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -25.263 2.062 8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -25.553 0.857 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.082 1.858 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.565 4.389 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.365 4.418 7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.004 5.053 6.780 1.00 0.00 H new ATOM 136 N ALA A 10 -25.895 0.486 4.146 1.00 0.00 N ATOM 137 CA ALA A 10 -26.448 -0.853 3.839 1.00 0.00 C ATOM 138 C ALA A 10 -25.512 -2.004 4.282 1.00 0.00 C ATOM 139 O ALA A 10 -24.707 -2.493 3.484 1.00 0.00 O ATOM 140 CB ALA A 10 -26.794 -0.929 2.347 1.00 0.00 C ATOM 0 H ALA A 10 -25.009 0.689 3.683 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.360 -0.988 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.201 -1.914 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.533 -0.165 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.894 -0.762 1.756 1.00 0.00 H new ATOM 146 N PRO A 11 -25.542 -2.380 5.572 1.00 0.00 N ATOM 147 CA PRO A 11 -24.672 -3.441 6.119 1.00 0.00 C ATOM 148 C PRO A 11 -25.022 -4.829 5.567 1.00 0.00 C ATOM 149 O PRO A 11 -26.138 -5.066 5.111 1.00 0.00 O ATOM 150 CB PRO A 11 -24.850 -3.353 7.635 1.00 0.00 C ATOM 151 CG PRO A 11 -26.277 -2.830 7.795 1.00 0.00 C ATOM 152 CD PRO A 11 -26.439 -1.858 6.625 1.00 0.00 C ATOM 0 HA PRO A 11 -23.632 -3.297 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.723 -4.325 8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.122 -2.679 8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.007 -3.638 7.749 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.415 -2.330 8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.473 -1.822 6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.163 -0.844 6.913 1.00 0.00 H new ATOM 160 N THR A 12 -23.985 -5.650 5.441 1.00 0.00 N ATOM 161 CA THR A 12 -24.139 -7.038 4.947 1.00 0.00 C ATOM 162 C THR A 12 -23.820 -8.068 6.049 1.00 0.00 C ATOM 163 O THR A 12 -24.715 -8.574 6.715 1.00 0.00 O ATOM 164 CB THR A 12 -23.268 -7.319 3.707 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.975 -6.117 2.987 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.955 -8.330 2.784 1.00 0.00 C ATOM 0 H THR A 12 -23.025 -5.391 5.670 1.00 0.00 H new ATOM 0 HA THR A 12 -25.184 -7.141 4.656 1.00 0.00 H new ATOM 0 HB THR A 12 -22.326 -7.741 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.420 -6.329 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.325 -8.515 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.115 -9.264 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.915 -7.931 2.458 1.00 0.00 H new ATOM 174 N ASN A 13 -22.528 -8.310 6.256 1.00 0.00 N ATOM 175 CA ASN A 13 -22.005 -9.336 7.185 1.00 0.00 C ATOM 176 C ASN A 13 -21.248 -8.716 8.377 1.00 0.00 C ATOM 177 O ASN A 13 -21.084 -7.498 8.445 1.00 0.00 O ATOM 178 CB ASN A 13 -21.106 -10.291 6.381 1.00 0.00 C ATOM 179 CG ASN A 13 -19.960 -9.576 5.649 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.183 -8.823 6.218 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.934 -9.708 4.343 1.00 0.00 N ATOM 0 H ASN A 13 -21.791 -7.793 5.777 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.839 -9.885 7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.687 -11.038 7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.716 -10.825 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.260 -9.179 3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.588 -10.340 3.881 1.00 0.00 H new ATOM 188 N ALA A 14 -20.686 -9.586 9.218 1.00 0.00 N ATOM 189 CA ALA A 14 -19.866 -9.202 10.389 1.00 0.00 C ATOM 190 C ALA A 14 -18.763 -8.179 10.060 1.00 0.00 C ATOM 191 O ALA A 14 -18.879 -7.037 10.497 1.00 0.00 O ATOM 192 CB ALA A 14 -19.268 -10.456 11.035 1.00 0.00 C ATOM 0 H ALA A 14 -20.784 -10.596 9.111 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.533 -8.703 11.092 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.665 -10.169 11.897 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.072 -11.117 11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.641 -10.975 10.310 1.00 0.00 H new ATOM 198 N VAL A 15 -17.922 -8.499 9.072 1.00 0.00 N ATOM 199 CA VAL A 15 -16.823 -7.621 8.595 1.00 0.00 C ATOM 200 C VAL A 15 -17.378 -6.244 8.174 1.00 0.00 C ATOM 201 O VAL A 15 -17.099 -5.248 8.838 1.00 0.00 O ATOM 202 CB VAL A 15 -16.038 -8.308 7.453 1.00 0.00 C ATOM 203 CG1 VAL A 15 -14.905 -7.436 6.896 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.428 -9.634 7.925 1.00 0.00 C ATOM 0 H VAL A 15 -17.977 -9.384 8.568 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.122 -7.452 9.412 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.767 -8.480 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.392 -7.973 6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.320 -6.509 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.197 -7.206 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.882 -10.096 7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.746 -9.446 8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.223 -10.303 8.254 1.00 0.00 H new ATOM 214 N GLU A 16 -18.363 -6.279 7.279 1.00 0.00 N ATOM 215 CA GLU A 16 -19.103 -5.092 6.794 1.00 0.00 C ATOM 216 C GLU A 16 -19.611 -4.182 7.931 1.00 0.00 C ATOM 217 O GLU A 16 -19.115 -3.068 8.095 1.00 0.00 O ATOM 218 CB GLU A 16 -20.276 -5.566 5.928 1.00 0.00 C ATOM 219 CG GLU A 16 -19.883 -5.851 4.474 1.00 0.00 C ATOM 220 CD GLU A 16 -19.996 -4.611 3.575 1.00 0.00 C ATOM 221 OE1 GLU A 16 -20.932 -3.813 3.808 1.00 0.00 O ATOM 222 OE2 GLU A 16 -19.154 -4.499 2.664 1.00 0.00 O ATOM 0 H GLU A 16 -18.684 -7.149 6.854 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.410 -4.485 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.699 -6.470 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.059 -4.808 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.859 -6.223 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.521 -6.641 4.078 1.00 0.00 H new ATOM 229 N SER A 17 -20.442 -4.756 8.801 1.00 0.00 N ATOM 230 CA SER A 17 -21.103 -4.037 9.910 1.00 0.00 C ATOM 231 C SER A 17 -20.135 -3.572 11.013 1.00 0.00 C ATOM 232 O SER A 17 -20.010 -2.373 11.251 1.00 0.00 O ATOM 233 CB SER A 17 -22.219 -4.904 10.504 1.00 0.00 C ATOM 234 OG SER A 17 -22.964 -4.150 11.463 1.00 0.00 O ATOM 0 H SER A 17 -20.684 -5.746 8.762 1.00 0.00 H new ATOM 0 HA SER A 17 -21.525 -3.128 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.880 -5.254 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.792 -5.788 10.977 1.00 0.00 H new ATOM 0 HG SER A 17 -23.676 -4.710 11.837 1.00 0.00 H new ATOM 240 N LYS A 18 -19.310 -4.493 11.511 1.00 0.00 N ATOM 241 CA LYS A 18 -18.346 -4.240 12.605 1.00 0.00 C ATOM 242 C LYS A 18 -17.259 -3.224 12.207 1.00 0.00 C ATOM 243 O LYS A 18 -16.953 -2.306 12.969 1.00 0.00 O ATOM 244 CB LYS A 18 -17.740 -5.582 13.028 1.00 0.00 C ATOM 245 CG LYS A 18 -16.952 -5.515 14.338 1.00 0.00 C ATOM 246 CD LYS A 18 -16.548 -6.926 14.762 1.00 0.00 C ATOM 247 CE LYS A 18 -15.782 -6.915 16.084 1.00 0.00 C ATOM 248 NZ LYS A 18 -15.509 -8.286 16.536 1.00 0.00 N ATOM 0 H LYS A 18 -19.285 -5.453 11.167 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.871 -3.788 13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.540 -6.315 13.132 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.082 -5.939 12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.065 -4.894 14.210 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.557 -5.049 15.116 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.439 -7.546 14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.930 -7.378 13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.844 -6.373 15.962 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.360 -6.385 16.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.988 -8.258 17.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.407 -8.792 16.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.938 -8.780 15.821 1.00 0.00 H new ATOM 262 N LEU A 19 -16.767 -3.334 10.974 1.00 0.00 N ATOM 263 CA LEU A 19 -15.850 -2.330 10.407 1.00 0.00 C ATOM 264 C LEU A 19 -16.522 -0.965 10.198 1.00 0.00 C ATOM 265 O LEU A 19 -15.996 0.026 10.692 1.00 0.00 O ATOM 266 CB LEU A 19 -15.186 -2.820 9.116 1.00 0.00 C ATOM 267 CG LEU A 19 -13.880 -3.626 9.241 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.761 -2.756 9.808 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.033 -4.924 10.039 1.00 0.00 C ATOM 0 H LEU A 19 -16.984 -4.106 10.344 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.065 -2.189 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.909 -3.435 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.984 -1.949 8.492 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.612 -3.932 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.847 -3.345 9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.589 -1.907 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.047 -2.394 10.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.073 -5.438 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.369 -4.692 11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.766 -5.567 9.551 1.00 0.00 H new ATOM 281 N ALA A 20 -17.747 -0.939 9.665 1.00 0.00 N ATOM 282 CA ALA A 20 -18.549 0.305 9.575 1.00 0.00 C ATOM 283 C ALA A 20 -18.788 0.955 10.953 1.00 0.00 C ATOM 284 O ALA A 20 -18.639 2.168 11.106 1.00 0.00 O ATOM 285 CB ALA A 20 -19.885 0.031 8.880 1.00 0.00 C ATOM 0 H ALA A 20 -18.214 -1.763 9.286 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.971 1.013 8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.461 0.954 8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.701 -0.346 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.445 -0.711 9.448 1.00 0.00 H new ATOM 291 N GLU A 21 -19.027 0.111 11.959 1.00 0.00 N ATOM 292 CA GLU A 21 -19.093 0.477 13.388 1.00 0.00 C ATOM 293 C GLU A 21 -17.791 1.152 13.865 1.00 0.00 C ATOM 294 O GLU A 21 -17.826 2.311 14.280 1.00 0.00 O ATOM 295 CB GLU A 21 -19.411 -0.790 14.195 1.00 0.00 C ATOM 296 CG GLU A 21 -19.533 -0.569 15.709 1.00 0.00 C ATOM 297 CD GLU A 21 -19.631 -1.885 16.493 1.00 0.00 C ATOM 298 OE1 GLU A 21 -18.917 -2.846 16.125 1.00 0.00 O ATOM 299 OE2 GLU A 21 -20.423 -1.898 17.458 1.00 0.00 O ATOM 0 H GLU A 21 -19.187 -0.884 11.802 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.882 1.213 13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.345 -1.215 13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.630 -1.528 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.669 -0.005 16.061 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.415 0.038 15.914 1.00 0.00 H new ATOM 306 N ILE A 22 -16.650 0.478 13.711 1.00 0.00 N ATOM 307 CA ILE A 22 -15.352 1.080 14.093 1.00 0.00 C ATOM 308 C ILE A 22 -15.008 2.340 13.277 1.00 0.00 C ATOM 309 O ILE A 22 -14.620 3.343 13.867 1.00 0.00 O ATOM 310 CB ILE A 22 -14.178 0.081 14.199 1.00 0.00 C ATOM 311 CG1 ILE A 22 -13.777 -0.623 12.899 1.00 0.00 C ATOM 312 CG2 ILE A 22 -14.447 -0.943 15.307 1.00 0.00 C ATOM 313 CD1 ILE A 22 -12.804 0.207 12.055 1.00 0.00 C ATOM 0 H ILE A 22 -16.587 -0.467 13.333 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.504 1.415 15.119 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.315 0.698 14.448 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.318 -1.583 13.137 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.672 -0.834 12.313 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.611 -1.640 15.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.561 -0.426 16.260 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.361 -1.492 15.081 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.553 -0.340 11.146 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.270 1.156 11.791 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.895 0.395 12.627 1.00 0.00 H new ATOM 325 N TRP A 23 -15.355 2.342 11.989 1.00 0.00 N ATOM 326 CA TRP A 23 -15.228 3.516 11.099 1.00 0.00 C ATOM 327 C TRP A 23 -15.986 4.736 11.640 1.00 0.00 C ATOM 328 O TRP A 23 -15.350 5.690 12.077 1.00 0.00 O ATOM 329 CB TRP A 23 -15.695 3.198 9.671 1.00 0.00 C ATOM 330 CG TRP A 23 -14.724 2.320 8.875 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.062 1.244 8.166 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.341 2.411 8.848 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.963 0.633 7.727 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.892 1.313 8.129 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.439 3.369 9.301 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.536 1.150 7.888 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.085 3.217 9.045 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.635 2.102 8.348 1.00 0.00 C ATOM 0 H TRP A 23 -15.738 1.521 11.520 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.167 3.763 11.070 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.663 2.699 9.720 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.846 4.134 9.133 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.074 0.917 7.976 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.945 -0.222 7.170 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.793 4.229 9.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.182 0.286 7.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.382 3.963 9.386 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.579 1.975 8.163 1.00 0.00 H new ATOM 349 N GLU A 24 -17.292 4.575 11.844 1.00 0.00 N ATOM 350 CA GLU A 24 -18.164 5.643 12.383 1.00 0.00 C ATOM 351 C GLU A 24 -17.778 6.163 13.780 1.00 0.00 C ATOM 352 O GLU A 24 -18.162 7.277 14.135 1.00 0.00 O ATOM 353 CB GLU A 24 -19.639 5.228 12.319 1.00 0.00 C ATOM 354 CG GLU A 24 -20.049 4.018 13.168 1.00 0.00 C ATOM 355 CD GLU A 24 -21.410 3.419 12.788 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.859 3.662 11.643 1.00 0.00 O ATOM 357 OE2 GLU A 24 -21.988 2.754 13.672 1.00 0.00 O ATOM 0 H GLU A 24 -17.785 3.705 11.644 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.004 6.499 11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.246 6.080 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.888 5.015 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.285 3.246 13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.075 4.315 14.216 1.00 0.00 H new ATOM 364 N ARG A 25 -17.187 5.273 14.576 1.00 0.00 N ATOM 365 CA ARG A 25 -16.576 5.576 15.885 1.00 0.00 C ATOM 366 C ARG A 25 -15.261 6.376 15.740 1.00 0.00 C ATOM 367 O ARG A 25 -15.231 7.563 16.057 1.00 0.00 O ATOM 368 CB ARG A 25 -16.381 4.231 16.595 1.00 0.00 C ATOM 369 CG ARG A 25 -15.999 4.339 18.071 1.00 0.00 C ATOM 370 CD ARG A 25 -15.892 2.931 18.661 1.00 0.00 C ATOM 371 NE ARG A 25 -15.594 2.998 20.101 1.00 0.00 N ATOM 372 CZ ARG A 25 -14.551 2.444 20.725 1.00 0.00 C ATOM 373 NH1 ARG A 25 -13.615 1.757 20.084 1.00 0.00 N ATOM 374 NH2 ARG A 25 -14.431 2.572 22.038 1.00 0.00 N ATOM 0 H ARG A 25 -17.114 4.287 14.326 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.222 6.223 16.478 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.303 3.655 16.513 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.607 3.669 16.073 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.050 4.865 18.177 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.747 4.918 18.612 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.825 2.391 18.501 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.109 2.373 18.147 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.251 3.520 20.681 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.675 1.635 19.073 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.836 1.351 20.602 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.133 3.091 22.566 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.637 2.151 22.521 1.00 0.00 H new ATOM 388 N VAL A 26 -14.264 5.769 15.093 1.00 0.00 N ATOM 389 CA VAL A 26 -12.897 6.316 14.898 1.00 0.00 C ATOM 390 C VAL A 26 -12.878 7.642 14.105 1.00 0.00 C ATOM 391 O VAL A 26 -12.132 8.552 14.455 1.00 0.00 O ATOM 392 CB VAL A 26 -11.984 5.228 14.281 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.571 5.720 13.936 1.00 0.00 C ATOM 394 CG2 VAL A 26 -11.828 4.042 15.241 1.00 0.00 C ATOM 0 H VAL A 26 -14.379 4.848 14.670 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.498 6.583 15.876 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.484 4.939 13.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.994 4.900 13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.635 6.533 13.213 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.079 6.077 14.841 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.183 3.289 14.788 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.384 4.386 16.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.807 3.607 15.443 1.00 0.00 H new ATOM 404 N LEU A 27 -13.757 7.753 13.108 1.00 0.00 N ATOM 405 CA LEU A 27 -13.982 8.980 12.304 1.00 0.00 C ATOM 406 C LEU A 27 -14.388 10.206 13.152 1.00 0.00 C ATOM 407 O LEU A 27 -14.175 11.346 12.741 1.00 0.00 O ATOM 408 CB LEU A 27 -15.053 8.632 11.259 1.00 0.00 C ATOM 409 CG LEU A 27 -15.279 9.652 10.138 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.635 8.894 8.859 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.440 10.594 10.473 1.00 0.00 C ATOM 0 H LEU A 27 -14.354 6.977 12.821 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.048 9.280 11.830 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.786 7.679 10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.999 8.483 11.779 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.370 10.241 10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.800 9.604 8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.817 8.224 8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.542 8.312 9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.577 11.307 9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.353 10.014 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.217 11.133 11.394 1.00 0.00 H new ATOM 423 N GLY A 28 -14.941 9.928 14.340 1.00 0.00 N ATOM 424 CA GLY A 28 -15.484 10.940 15.266 1.00 0.00 C ATOM 425 C GLY A 28 -16.975 10.682 15.506 1.00 0.00 C ATOM 426 O GLY A 28 -17.820 11.363 14.929 1.00 0.00 O ATOM 0 H GLY A 28 -15.027 8.975 14.695 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.944 10.907 16.212 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.341 11.938 14.852 1.00 0.00 H new ATOM 430 N VAL A 29 -17.227 9.626 16.282 1.00 0.00 N ATOM 431 CA VAL A 29 -18.546 9.064 16.670 1.00 0.00 C ATOM 432 C VAL A 29 -19.790 9.764 16.077 1.00 0.00 C ATOM 433 O VAL A 29 -20.476 10.569 16.705 1.00 0.00 O ATOM 434 CB VAL A 29 -18.563 8.826 18.198 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.481 10.106 19.040 1.00 0.00 C ATOM 436 CG2 VAL A 29 -19.726 7.925 18.624 1.00 0.00 C ATOM 0 H VAL A 29 -16.462 9.091 16.694 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.649 8.096 16.180 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.637 8.293 18.413 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.499 9.847 20.099 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.555 10.633 18.811 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.331 10.748 18.809 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.700 7.784 19.705 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.670 8.391 18.341 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.637 6.958 18.130 1.00 0.00 H new ATOM 446 N SER A 30 -20.039 9.397 14.821 1.00 0.00 N ATOM 447 CA SER A 30 -21.068 10.045 13.973 1.00 0.00 C ATOM 448 C SER A 30 -22.158 9.143 13.374 1.00 0.00 C ATOM 449 O SER A 30 -23.317 9.547 13.312 1.00 0.00 O ATOM 450 CB SER A 30 -20.409 10.826 12.831 1.00 0.00 C ATOM 451 OG SER A 30 -19.819 12.039 13.301 1.00 0.00 O ATOM 0 H SER A 30 -19.539 8.642 14.352 1.00 0.00 H new ATOM 0 HA SER A 30 -21.589 10.691 14.680 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.646 10.208 12.359 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.153 11.054 12.067 1.00 0.00 H new ATOM 0 HG SER A 30 -19.249 11.847 14.075 1.00 0.00 H new ATOM 457 N GLY A 31 -21.737 8.011 12.789 1.00 0.00 N ATOM 458 CA GLY A 31 -22.663 7.065 12.127 1.00 0.00 C ATOM 459 C GLY A 31 -22.581 7.180 10.599 1.00 0.00 C ATOM 460 O GLY A 31 -23.335 7.936 9.991 1.00 0.00 O ATOM 0 H GLY A 31 -20.759 7.723 12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.423 6.046 12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.684 7.263 12.454 1.00 0.00 H new ATOM 464 N ILE A 32 -21.719 6.367 9.995 1.00 0.00 N ATOM 465 CA ILE A 32 -21.437 6.448 8.543 1.00 0.00 C ATOM 466 C ILE A 32 -21.786 5.129 7.837 1.00 0.00 C ATOM 467 O ILE A 32 -21.872 4.079 8.473 1.00 0.00 O ATOM 468 CB ILE A 32 -19.989 6.863 8.195 1.00 0.00 C ATOM 469 CG1 ILE A 32 -18.937 5.867 8.705 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.711 8.298 8.662 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.702 5.818 7.798 1.00 0.00 C ATOM 0 H ILE A 32 -21.196 5.638 10.480 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.081 7.248 8.177 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.900 6.840 7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.634 6.145 9.714 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.380 4.873 8.768 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.687 8.571 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.402 8.981 8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.846 8.362 9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.985 5.101 8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.999 5.513 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.242 6.805 7.756 1.00 0.00 H new ATOM 483 N GLY A 33 -21.818 5.201 6.503 1.00 0.00 N ATOM 484 CA GLY A 33 -22.207 4.056 5.662 1.00 0.00 C ATOM 485 C GLY A 33 -21.022 3.269 5.100 1.00 0.00 C ATOM 486 O GLY A 33 -19.870 3.693 5.110 1.00 0.00 O ATOM 0 H GLY A 33 -21.579 6.042 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.832 3.383 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.817 4.417 4.834 1.00 0.00 H new ATOM 490 N ILE A 34 -21.406 2.124 4.551 1.00 0.00 N ATOM 491 CA ILE A 34 -20.561 1.166 3.799 1.00 0.00 C ATOM 492 C ILE A 34 -19.701 1.851 2.711 1.00 0.00 C ATOM 493 O ILE A 34 -18.583 1.424 2.428 1.00 0.00 O ATOM 494 CB ILE A 34 -21.519 0.110 3.195 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.440 -0.538 4.248 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.838 -0.942 2.307 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.797 -1.148 5.502 1.00 0.00 C ATOM 0 H ILE A 34 -22.373 1.807 4.615 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.838 0.701 4.469 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.152 0.687 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.154 0.218 4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.011 -1.323 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.586 -1.639 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.346 -0.448 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.097 -1.487 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.574 -1.563 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.107 -1.939 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.253 -0.375 6.044 1.00 0.00 H new ATOM 509 N LEU A 35 -20.294 2.867 2.086 1.00 0.00 N ATOM 510 CA LEU A 35 -19.660 3.746 1.080 1.00 0.00 C ATOM 511 C LEU A 35 -18.556 4.663 1.644 1.00 0.00 C ATOM 512 O LEU A 35 -17.738 5.196 0.894 1.00 0.00 O ATOM 513 CB LEU A 35 -20.726 4.613 0.385 1.00 0.00 C ATOM 514 CG LEU A 35 -21.785 3.906 -0.486 1.00 0.00 C ATOM 515 CD1 LEU A 35 -21.169 2.944 -1.507 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.898 3.253 0.341 1.00 0.00 C ATOM 0 H LEU A 35 -21.266 3.118 2.267 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.177 3.074 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.251 5.177 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -20.208 5.338 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 35 -22.265 4.695 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.962 2.476 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.506 3.496 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.601 2.174 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.613 2.772 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.466 2.507 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -23.408 4.015 0.930 1.00 0.00 H new ATOM 528 N ASP A 36 -18.579 4.874 2.962 1.00 0.00 N ATOM 529 CA ASP A 36 -17.664 5.762 3.710 1.00 0.00 C ATOM 530 C ASP A 36 -17.773 7.205 3.168 1.00 0.00 C ATOM 531 O ASP A 36 -18.862 7.633 2.792 1.00 0.00 O ATOM 532 CB ASP A 36 -16.240 5.175 3.675 1.00 0.00 C ATOM 533 CG ASP A 36 -16.140 3.833 4.415 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.408 2.787 3.781 1.00 0.00 O ATOM 535 OD2 ASP A 36 -15.850 3.892 5.628 1.00 0.00 O ATOM 0 H ASP A 36 -19.260 4.416 3.568 1.00 0.00 H new ATOM 0 HA ASP A 36 -17.945 5.819 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.932 5.039 2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.546 5.886 4.123 1.00 0.00 H new ATOM 540 N ASN A 37 -16.737 8.015 3.349 1.00 0.00 N ATOM 541 CA ASN A 37 -16.667 9.331 2.677 1.00 0.00 C ATOM 542 C ASN A 37 -15.453 9.477 1.734 1.00 0.00 C ATOM 543 O ASN A 37 -15.233 10.546 1.174 1.00 0.00 O ATOM 544 CB ASN A 37 -16.759 10.409 3.768 1.00 0.00 C ATOM 545 CG ASN A 37 -16.560 11.851 3.287 1.00 0.00 C ATOM 546 OD1 ASN A 37 -15.507 12.439 3.485 1.00 0.00 O ATOM 547 ND2 ASN A 37 -17.532 12.407 2.597 1.00 0.00 N ATOM 0 H ASN A 37 -15.938 7.799 3.945 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.507 9.447 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.736 10.335 4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.013 10.193 4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.415 13.346 2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.403 11.899 2.443 1.00 0.00 H new ATOM 554 N PHE A 38 -14.799 8.352 1.429 1.00 0.00 N ATOM 555 CA PHE A 38 -13.567 8.277 0.601 1.00 0.00 C ATOM 556 C PHE A 38 -12.540 9.424 0.768 1.00 0.00 C ATOM 557 O PHE A 38 -11.774 9.759 -0.132 1.00 0.00 O ATOM 558 CB PHE A 38 -13.936 8.003 -0.868 1.00 0.00 C ATOM 559 CG PHE A 38 -14.959 8.974 -1.464 1.00 0.00 C ATOM 560 CD1 PHE A 38 -14.534 10.174 -2.022 1.00 0.00 C ATOM 561 CD2 PHE A 38 -16.316 8.672 -1.406 1.00 0.00 C ATOM 562 CE1 PHE A 38 -15.468 11.074 -2.519 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.249 9.576 -1.899 1.00 0.00 C ATOM 564 CZ PHE A 38 -16.824 10.776 -2.457 1.00 0.00 C ATOM 0 H PHE A 38 -15.111 7.437 1.755 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.008 7.431 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.028 8.040 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.329 6.989 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.480 10.406 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.644 7.736 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.140 12.006 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.303 9.347 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.549 11.478 -2.843 1.00 0.00 H new ATOM 574 N PHE A 39 -12.468 9.904 2.009 1.00 0.00 N ATOM 575 CA PHE A 39 -11.649 11.055 2.433 1.00 0.00 C ATOM 576 C PHE A 39 -11.268 10.905 3.924 1.00 0.00 C ATOM 577 O PHE A 39 -10.276 10.254 4.251 1.00 0.00 O ATOM 578 CB PHE A 39 -12.469 12.324 2.137 1.00 0.00 C ATOM 579 CG PHE A 39 -11.688 13.633 2.273 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.017 14.136 1.165 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.787 14.395 3.432 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.451 15.403 1.211 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.213 15.659 3.480 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.548 16.166 2.370 1.00 0.00 C ATOM 0 H PHE A 39 -12.995 9.492 2.779 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.706 11.115 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.866 12.256 1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.324 12.354 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.936 13.541 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.309 14.005 4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.936 15.796 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.284 16.249 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.107 17.151 2.407 1.00 0.00 H new ATOM 594 N GLN A 40 -12.199 11.280 4.803 1.00 0.00 N ATOM 595 CA GLN A 40 -12.059 11.275 6.280 1.00 0.00 C ATOM 596 C GLN A 40 -12.025 9.902 7.006 1.00 0.00 C ATOM 597 O GLN A 40 -12.362 9.802 8.183 1.00 0.00 O ATOM 598 CB GLN A 40 -13.157 12.197 6.838 1.00 0.00 C ATOM 599 CG GLN A 40 -14.554 11.632 6.559 1.00 0.00 C ATOM 600 CD GLN A 40 -15.698 12.646 6.582 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.572 13.829 6.300 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.867 12.148 6.905 1.00 0.00 N ATOM 0 H GLN A 40 -13.116 11.612 4.503 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.052 11.635 6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.020 12.320 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.066 13.186 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.541 11.149 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.766 10.857 7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.953 11.159 7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.690 12.750 6.924 1.00 0.00 H new ATOM 611 N ILE A 41 -11.521 8.874 6.328 1.00 0.00 N ATOM 612 CA ILE A 41 -11.373 7.516 6.911 1.00 0.00 C ATOM 613 C ILE A 41 -9.901 7.121 7.136 1.00 0.00 C ATOM 614 O ILE A 41 -9.577 6.475 8.131 1.00 0.00 O ATOM 615 CB ILE A 41 -12.146 6.391 6.181 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.672 6.019 4.761 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.660 6.611 6.284 1.00 0.00 C ATOM 618 CD1 ILE A 41 -11.737 7.112 3.687 1.00 0.00 C ATOM 0 H ILE A 41 -11.201 8.944 5.362 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.856 7.609 7.884 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.886 5.486 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.640 5.675 4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.268 5.173 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.181 5.807 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.956 6.616 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.921 7.567 5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.374 6.713 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.768 7.446 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.115 7.955 3.988 1.00 0.00 H new ATOM 630 N GLY A 42 -9.046 7.471 6.161 1.00 0.00 N ATOM 631 CA GLY A 42 -7.576 7.429 6.328 1.00 0.00 C ATOM 632 C GLY A 42 -7.057 8.412 7.389 1.00 0.00 C ATOM 633 O GLY A 42 -6.183 8.073 8.185 1.00 0.00 O ATOM 0 H GLY A 42 -9.347 7.789 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.277 6.417 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.102 7.653 5.372 1.00 0.00 H new ATOM 637 N GLY A 43 -7.666 9.607 7.375 1.00 0.00 N ATOM 638 CA GLY A 43 -7.345 10.712 8.301 1.00 0.00 C ATOM 639 C GLY A 43 -5.942 11.303 8.106 1.00 0.00 C ATOM 640 O GLY A 43 -4.956 10.605 7.877 1.00 0.00 O ATOM 0 H GLY A 43 -8.406 9.840 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.083 11.504 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.437 10.352 9.326 1.00 0.00 H new ATOM 644 N HIS A 44 -5.860 12.591 8.414 1.00 0.00 N ATOM 645 CA HIS A 44 -4.611 13.378 8.304 1.00 0.00 C ATOM 646 C HIS A 44 -3.821 13.407 9.631 1.00 0.00 C ATOM 647 O HIS A 44 -3.354 14.449 10.095 1.00 0.00 O ATOM 648 CB HIS A 44 -4.937 14.783 7.764 1.00 0.00 C ATOM 649 CG HIS A 44 -5.786 15.678 8.683 1.00 0.00 C ATOM 650 ND1 HIS A 44 -6.909 15.353 9.321 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -5.542 16.961 8.931 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -7.350 16.424 9.968 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -6.504 17.422 9.725 1.00 0.00 N flip ATOM 0 H HIS A 44 -6.655 13.134 8.750 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.946 12.890 7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.999 15.297 7.555 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.459 14.673 6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.706 17.531 8.553 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.237 16.476 10.582 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.580 18.373 10.085 1.00 0.00 H new ATOM 662 N SER A 45 -3.700 12.219 10.228 1.00 0.00 N ATOM 663 CA SER A 45 -3.123 11.966 11.573 1.00 0.00 C ATOM 664 C SER A 45 -3.037 10.455 11.873 1.00 0.00 C ATOM 665 O SER A 45 -3.177 9.641 10.960 1.00 0.00 O ATOM 666 CB SER A 45 -3.941 12.686 12.662 1.00 0.00 C ATOM 667 OG SER A 45 -3.582 14.065 12.720 1.00 0.00 O ATOM 0 H SER A 45 -4.013 11.360 9.775 1.00 0.00 H new ATOM 0 HA SER A 45 -2.109 12.367 11.578 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.006 12.589 12.450 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.764 12.216 13.630 1.00 0.00 H new ATOM 0 HG SER A 45 -3.262 14.357 11.841 1.00 0.00 H new ATOM 673 N LEU A 46 -2.939 10.092 13.156 1.00 0.00 N ATOM 674 CA LEU A 46 -2.806 8.700 13.651 1.00 0.00 C ATOM 675 C LEU A 46 -3.909 7.687 13.279 1.00 0.00 C ATOM 676 O LEU A 46 -3.744 6.491 13.521 1.00 0.00 O ATOM 677 CB LEU A 46 -2.566 8.679 15.171 1.00 0.00 C ATOM 678 CG LEU A 46 -3.752 9.114 16.044 1.00 0.00 C ATOM 679 CD1 LEU A 46 -3.612 8.478 17.428 1.00 0.00 C ATOM 680 CD2 LEU A 46 -3.810 10.637 16.210 1.00 0.00 C ATOM 0 H LEU A 46 -2.950 10.776 13.912 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.938 8.341 13.098 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.279 7.668 15.460 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.719 9.327 15.394 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.668 8.788 15.551 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.451 8.782 18.055 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.606 7.392 17.331 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.679 8.806 17.886 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.663 10.903 16.834 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.892 10.987 16.682 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.916 11.106 15.232 1.00 0.00 H new ATOM 692 N LYS A 47 -4.979 8.146 12.625 1.00 0.00 N ATOM 693 CA LYS A 47 -6.059 7.285 12.096 1.00 0.00 C ATOM 694 C LYS A 47 -5.484 6.162 11.215 1.00 0.00 C ATOM 695 O LYS A 47 -5.602 4.992 11.574 1.00 0.00 O ATOM 696 CB LYS A 47 -7.088 8.075 11.271 1.00 0.00 C ATOM 697 CG LYS A 47 -7.889 9.145 12.023 1.00 0.00 C ATOM 698 CD LYS A 47 -7.128 10.466 12.179 1.00 0.00 C ATOM 699 CE LYS A 47 -8.053 11.545 12.742 1.00 0.00 C ATOM 700 NZ LYS A 47 -7.366 12.834 12.914 1.00 0.00 N ATOM 0 H LYS A 47 -5.129 9.138 12.442 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.562 6.861 12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.566 8.557 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.791 7.367 10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.823 9.331 11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.153 8.766 13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.274 10.326 12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.733 10.783 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.904 11.676 12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.449 11.216 13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.045 13.547 13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.601 12.729 13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.966 13.138 12.004 1.00 0.00 H new ATOM 714 N ALA A 48 -4.654 6.544 10.240 1.00 0.00 N ATOM 715 CA ALA A 48 -3.883 5.609 9.393 1.00 0.00 C ATOM 716 C ALA A 48 -3.025 4.587 10.166 1.00 0.00 C ATOM 717 O ALA A 48 -2.967 3.426 9.774 1.00 0.00 O ATOM 718 CB ALA A 48 -3.000 6.412 8.433 1.00 0.00 C ATOM 0 H ALA A 48 -4.492 7.524 10.008 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.620 5.014 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.429 5.728 7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.627 7.043 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.315 7.037 9.006 1.00 0.00 H new ATOM 724 N MET A 49 -2.457 5.002 11.302 1.00 0.00 N ATOM 725 CA MET A 49 -1.695 4.120 12.217 1.00 0.00 C ATOM 726 C MET A 49 -2.584 3.087 12.931 1.00 0.00 C ATOM 727 O MET A 49 -2.309 1.888 12.883 1.00 0.00 O ATOM 728 CB MET A 49 -0.917 4.947 13.248 1.00 0.00 C ATOM 729 CG MET A 49 0.226 5.772 12.640 1.00 0.00 C ATOM 730 SD MET A 49 1.613 4.769 11.988 1.00 0.00 S ATOM 731 CE MET A 49 1.215 4.697 10.254 1.00 0.00 C ATOM 0 H MET A 49 -2.509 5.969 11.624 1.00 0.00 H new ATOM 0 HA MET A 49 -0.993 3.565 11.595 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.607 5.619 13.758 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.508 4.277 14.004 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.174 6.386 11.833 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.611 6.453 13.399 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.428 3.698 9.873 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.158 4.921 10.114 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.816 5.428 9.712 1.00 0.00 H new ATOM 741 N ALA A 50 -3.705 3.557 13.478 1.00 0.00 N ATOM 742 CA ALA A 50 -4.759 2.691 14.053 1.00 0.00 C ATOM 743 C ALA A 50 -5.340 1.721 13.004 1.00 0.00 C ATOM 744 O ALA A 50 -5.586 0.547 13.289 1.00 0.00 O ATOM 745 CB ALA A 50 -5.870 3.566 14.639 1.00 0.00 C ATOM 0 H ALA A 50 -3.918 4.553 13.540 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.311 2.085 14.840 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.648 2.931 15.063 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.457 4.204 15.420 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.298 4.187 13.852 1.00 0.00 H new ATOM 751 N VAL A 51 -5.485 2.219 11.778 1.00 0.00 N ATOM 752 CA VAL A 51 -5.861 1.400 10.607 1.00 0.00 C ATOM 753 C VAL A 51 -4.766 0.366 10.281 1.00 0.00 C ATOM 754 O VAL A 51 -5.077 -0.816 10.204 1.00 0.00 O ATOM 755 CB VAL A 51 -6.244 2.254 9.384 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.712 1.367 8.225 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.379 3.230 9.712 1.00 0.00 C ATOM 0 H VAL A 51 -5.346 3.205 11.558 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.762 0.849 10.875 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.350 2.810 9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.977 1.992 7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.909 0.687 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.583 0.790 8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.623 3.816 8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.259 2.671 10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.064 3.898 10.513 1.00 0.00 H new ATOM 767 N ALA A 52 -3.499 0.770 10.224 1.00 0.00 N ATOM 768 CA ALA A 52 -2.364 -0.164 10.045 1.00 0.00 C ATOM 769 C ALA A 52 -2.387 -1.313 11.072 1.00 0.00 C ATOM 770 O ALA A 52 -2.376 -2.479 10.685 1.00 0.00 O ATOM 771 CB ALA A 52 -1.038 0.597 10.135 1.00 0.00 C ATOM 0 H ALA A 52 -3.219 1.748 10.299 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.463 -0.611 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.209 -0.099 10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.002 1.358 9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.958 1.074 11.112 1.00 0.00 H new ATOM 777 N ALA A 53 -2.681 -0.960 12.325 1.00 0.00 N ATOM 778 CA ALA A 53 -2.879 -1.919 13.432 1.00 0.00 C ATOM 779 C ALA A 53 -4.040 -2.913 13.201 1.00 0.00 C ATOM 780 O ALA A 53 -3.820 -4.124 13.252 1.00 0.00 O ATOM 781 CB ALA A 53 -3.065 -1.135 14.732 1.00 0.00 C ATOM 0 H ALA A 53 -2.791 0.013 12.611 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.988 -2.544 13.490 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.212 -1.830 15.558 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.179 -0.529 14.921 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.936 -0.486 14.644 1.00 0.00 H new ATOM 787 N GLN A 54 -5.232 -2.406 12.876 1.00 0.00 N ATOM 788 CA GLN A 54 -6.392 -3.263 12.529 1.00 0.00 C ATOM 789 C GLN A 54 -6.197 -4.082 11.235 1.00 0.00 C ATOM 790 O GLN A 54 -6.506 -5.269 11.191 1.00 0.00 O ATOM 791 CB GLN A 54 -7.721 -2.486 12.509 1.00 0.00 C ATOM 792 CG GLN A 54 -7.809 -1.416 11.417 1.00 0.00 C ATOM 793 CD GLN A 54 -9.149 -0.687 11.360 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.058 -1.052 10.631 1.00 0.00 O ATOM 795 NE2 GLN A 54 -9.258 0.404 12.084 1.00 0.00 N ATOM 0 H GLN A 54 -5.429 -1.406 12.843 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.451 -3.988 13.340 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.540 -3.193 12.375 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.865 -2.011 13.479 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.017 -0.684 11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.621 -1.883 10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.489 0.694 12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.112 0.961 12.042 1.00 0.00 H new ATOM 804 N VAL A 55 -5.574 -3.472 10.231 1.00 0.00 N ATOM 805 CA VAL A 55 -5.234 -4.114 8.942 1.00 0.00 C ATOM 806 C VAL A 55 -4.157 -5.211 9.102 1.00 0.00 C ATOM 807 O VAL A 55 -4.101 -6.152 8.314 1.00 0.00 O ATOM 808 CB VAL A 55 -4.922 -3.036 7.881 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.493 -3.603 6.527 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.176 -2.203 7.606 1.00 0.00 C ATOM 0 H VAL A 55 -5.280 -2.496 10.281 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.100 -4.661 8.569 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.101 -2.455 8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.292 -2.784 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.591 -4.202 6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.290 -4.228 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.951 -1.444 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.970 -2.852 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.501 -1.719 8.527 1.00 0.00 H new ATOM 820 N HIS A 56 -3.293 -5.062 10.104 1.00 0.00 N ATOM 821 CA HIS A 56 -2.395 -6.144 10.550 1.00 0.00 C ATOM 822 C HIS A 56 -3.189 -7.312 11.171 1.00 0.00 C ATOM 823 O HIS A 56 -3.327 -8.349 10.531 1.00 0.00 O ATOM 824 CB HIS A 56 -1.357 -5.551 11.516 1.00 0.00 C ATOM 825 CG HIS A 56 -0.090 -6.392 11.715 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.541 -7.115 10.792 1.00 0.00 N flip ATOM 827 CD2 HIS A 56 0.718 -6.313 12.770 1.00 0.00 C flip ATOM 828 CE1 HIS A 56 1.741 -7.445 11.255 1.00 0.00 C flip ATOM 829 NE2 HIS A 56 1.848 -6.955 12.485 1.00 0.00 N flip ATOM 0 H HIS A 56 -3.190 -4.195 10.632 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.869 -6.569 9.695 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.066 -4.566 11.150 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.831 -5.403 12.486 1.00 0.00 H new ATOM 0 HD1 HIS A 56 0.165 -7.373 9.880 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.494 -5.812 13.700 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.494 -8.010 10.727 1.00 0.00 H new ATOM 838 N ARG A 57 -3.944 -7.021 12.232 1.00 0.00 N ATOM 839 CA ARG A 57 -4.664 -8.044 13.030 1.00 0.00 C ATOM 840 C ARG A 57 -5.900 -8.719 12.386 1.00 0.00 C ATOM 841 O ARG A 57 -6.032 -9.938 12.405 1.00 0.00 O ATOM 842 CB ARG A 57 -5.006 -7.467 14.415 1.00 0.00 C ATOM 843 CG ARG A 57 -6.092 -6.385 14.388 1.00 0.00 C ATOM 844 CD ARG A 57 -6.383 -5.757 15.748 1.00 0.00 C ATOM 845 NE ARG A 57 -5.403 -4.694 16.025 1.00 0.00 N ATOM 846 CZ ARG A 57 -5.483 -3.799 17.011 1.00 0.00 C ATOM 847 NH1 ARG A 57 -6.475 -3.799 17.891 1.00 0.00 N ATOM 848 NH2 ARG A 57 -4.537 -2.884 17.153 1.00 0.00 N ATOM 0 H ARG A 57 -4.081 -6.069 12.572 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.959 -8.872 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.332 -8.279 15.065 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.101 -7.049 14.857 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.790 -5.600 13.695 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.012 -6.819 13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.393 -5.346 15.761 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.338 -6.518 16.527 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.592 -4.637 15.409 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.213 -4.501 17.828 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.500 -3.097 18.631 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.747 -2.863 16.508 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.598 -2.200 17.907 1.00 0.00 H new ATOM 862 N GLU A 58 -6.771 -7.903 11.794 1.00 0.00 N ATOM 863 CA GLU A 58 -8.107 -8.288 11.290 1.00 0.00 C ATOM 864 C GLU A 58 -8.124 -8.508 9.766 1.00 0.00 C ATOM 865 O GLU A 58 -9.026 -9.161 9.246 1.00 0.00 O ATOM 866 CB GLU A 58 -9.073 -7.153 11.672 1.00 0.00 C ATOM 867 CG GLU A 58 -10.565 -7.475 11.515 1.00 0.00 C ATOM 868 CD GLU A 58 -11.112 -8.439 12.575 1.00 0.00 C ATOM 869 OE1 GLU A 58 -10.732 -8.282 13.758 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.008 -9.229 12.205 1.00 0.00 O ATOM 0 H GLU A 58 -6.566 -6.915 11.642 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.401 -9.238 11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.886 -6.874 12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.841 -6.281 11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.133 -6.545 11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.731 -7.906 10.527 1.00 0.00 H new ATOM 877 N TYR A 59 -7.263 -7.769 9.069 1.00 0.00 N ATOM 878 CA TYR A 59 -7.121 -7.867 7.603 1.00 0.00 C ATOM 879 C TYR A 59 -6.001 -8.817 7.139 1.00 0.00 C ATOM 880 O TYR A 59 -6.045 -9.299 6.011 1.00 0.00 O ATOM 881 CB TYR A 59 -6.880 -6.478 6.997 1.00 0.00 C ATOM 882 CG TYR A 59 -8.070 -5.510 6.918 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.997 -5.365 7.946 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.136 -4.652 5.827 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.958 -4.367 7.891 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.098 -3.653 5.764 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.006 -3.503 6.804 1.00 0.00 C ATOM 888 OH TYR A 59 -10.917 -2.498 6.777 1.00 0.00 O ATOM 0 H TYR A 59 -6.641 -7.083 9.497 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.061 -8.290 7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.093 -5.993 7.575 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.494 -6.617 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.968 -6.035 8.793 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.430 -4.764 5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.671 -4.261 8.695 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.140 -2.995 4.909 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.467 -1.654 6.562 1.00 0.00 H new ATOM 898 N GLN A 60 -4.943 -8.925 7.951 1.00 0.00 N ATOM 899 CA GLN A 60 -3.713 -9.720 7.722 1.00 0.00 C ATOM 900 C GLN A 60 -2.903 -9.367 6.448 1.00 0.00 C ATOM 901 O GLN A 60 -1.933 -10.039 6.098 1.00 0.00 O ATOM 902 CB GLN A 60 -4.061 -11.214 7.803 1.00 0.00 C ATOM 903 CG GLN A 60 -2.868 -12.046 8.282 1.00 0.00 C ATOM 904 CD GLN A 60 -2.612 -13.231 7.349 1.00 0.00 C ATOM 905 OE1 GLN A 60 -2.961 -14.374 7.610 1.00 0.00 O ATOM 906 NE2 GLN A 60 -1.943 -12.964 6.250 1.00 0.00 N ATOM 0 H GLN A 60 -4.913 -8.432 8.843 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.021 -9.449 8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.901 -11.356 8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.381 -11.567 6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.978 -11.418 8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.056 -12.409 9.292 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.659 -12.006 6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.708 -13.715 5.601 1.00 0.00 H new ATOM 915 N VAL A 61 -3.233 -8.232 5.832 1.00 0.00 N ATOM 916 CA VAL A 61 -2.522 -7.737 4.626 1.00 0.00 C ATOM 917 C VAL A 61 -1.806 -6.385 4.891 1.00 0.00 C ATOM 918 O VAL A 61 -1.216 -5.791 3.992 1.00 0.00 O ATOM 919 CB VAL A 61 -3.481 -7.660 3.406 1.00 0.00 C ATOM 920 CG1 VAL A 61 -2.716 -7.556 2.081 1.00 0.00 C ATOM 921 CG2 VAL A 61 -4.435 -8.856 3.274 1.00 0.00 C ATOM 0 H VAL A 61 -3.992 -7.625 6.142 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.742 -8.458 4.383 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.066 -6.761 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.425 -7.505 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.099 -6.657 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.079 -8.432 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.068 -8.721 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.856 -9.773 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.059 -8.924 4.165 1.00 0.00 H new ATOM 931 N GLU A 62 -1.706 -6.006 6.167 1.00 0.00 N ATOM 932 CA GLU A 62 -1.094 -4.765 6.710 1.00 0.00 C ATOM 933 C GLU A 62 -0.617 -3.653 5.742 1.00 0.00 C ATOM 934 O GLU A 62 0.536 -3.223 5.751 1.00 0.00 O ATOM 935 CB GLU A 62 -0.013 -5.116 7.751 1.00 0.00 C ATOM 936 CG GLU A 62 1.127 -6.048 7.296 1.00 0.00 C ATOM 937 CD GLU A 62 0.809 -7.553 7.267 1.00 0.00 C ATOM 938 OE1 GLU A 62 -0.285 -7.945 7.743 1.00 0.00 O ATOM 939 OE2 GLU A 62 1.670 -8.288 6.742 1.00 0.00 O ATOM 0 H GLU A 62 -2.075 -6.595 6.914 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.953 -4.269 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.432 -4.185 8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.505 -5.578 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.438 -5.745 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.980 -5.892 7.956 1.00 0.00 H new ATOM 946 N LEU A 63 -1.590 -3.070 5.045 1.00 0.00 N ATOM 947 CA LEU A 63 -1.342 -1.986 4.070 1.00 0.00 C ATOM 948 C LEU A 63 -2.089 -0.666 4.379 1.00 0.00 C ATOM 949 O LEU A 63 -3.208 -0.445 3.903 1.00 0.00 O ATOM 950 CB LEU A 63 -1.532 -2.494 2.624 1.00 0.00 C ATOM 951 CG LEU A 63 -2.946 -2.802 2.096 1.00 0.00 C ATOM 952 CD1 LEU A 63 -2.849 -3.196 0.621 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.671 -3.917 2.851 1.00 0.00 C ATOM 0 H LEU A 63 -2.573 -3.328 5.133 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.295 -1.703 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.092 -1.751 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.942 -3.404 2.520 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.531 -1.894 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.845 -3.416 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.415 -2.374 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.218 -4.079 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.658 -4.069 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.096 -4.840 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.776 -3.638 3.899 1.00 0.00 H new ATOM 965 N PRO A 64 -1.487 0.212 5.200 1.00 0.00 N ATOM 966 CA PRO A 64 -2.047 1.546 5.503 1.00 0.00 C ATOM 967 C PRO A 64 -2.069 2.436 4.253 1.00 0.00 C ATOM 968 O PRO A 64 -1.336 2.196 3.295 1.00 0.00 O ATOM 969 CB PRO A 64 -1.145 2.119 6.599 1.00 0.00 C ATOM 970 CG PRO A 64 0.201 1.444 6.341 1.00 0.00 C ATOM 971 CD PRO A 64 -0.190 0.036 5.883 1.00 0.00 C ATOM 0 HA PRO A 64 -3.084 1.490 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.070 3.204 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.526 1.888 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.775 1.970 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.816 1.418 7.240 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.558 -0.384 5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.277 -0.646 6.729 1.00 0.00 H new ATOM 979 N LEU A 65 -2.989 3.401 4.272 1.00 0.00 N ATOM 980 CA LEU A 65 -3.310 4.339 3.170 1.00 0.00 C ATOM 981 C LEU A 65 -3.935 3.671 1.929 1.00 0.00 C ATOM 982 O LEU A 65 -4.998 4.101 1.492 1.00 0.00 O ATOM 983 CB LEU A 65 -2.104 5.230 2.815 1.00 0.00 C ATOM 984 CG LEU A 65 -2.417 6.371 1.835 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.564 7.590 2.185 1.00 0.00 C ATOM 986 CD2 LEU A 65 -2.124 5.962 0.388 1.00 0.00 C ATOM 0 H LEU A 65 -3.567 3.567 5.096 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.097 4.986 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.702 5.658 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.321 4.605 2.386 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.478 6.607 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.785 8.400 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.789 7.912 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.508 7.328 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.356 6.792 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.070 5.702 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.737 5.101 0.122 1.00 0.00 H new ATOM 998 N LYS A 66 -3.389 2.538 1.491 1.00 0.00 N ATOM 999 CA LYS A 66 -3.881 1.802 0.308 1.00 0.00 C ATOM 1000 C LYS A 66 -5.379 1.467 0.396 1.00 0.00 C ATOM 1001 O LYS A 66 -6.178 2.154 -0.238 1.00 0.00 O ATOM 1002 CB LYS A 66 -3.028 0.554 0.070 1.00 0.00 C ATOM 1003 CG LYS A 66 -2.585 0.496 -1.393 1.00 0.00 C ATOM 1004 CD LYS A 66 -1.513 1.555 -1.687 1.00 0.00 C ATOM 1005 CE LYS A 66 -1.527 2.023 -3.146 1.00 0.00 C ATOM 1006 NZ LYS A 66 -1.251 0.944 -4.104 1.00 0.00 N ATOM 0 H LYS A 66 -2.589 2.095 1.943 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.778 2.460 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.155 0.570 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.598 -0.340 0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.193 -0.496 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.445 0.654 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.667 2.413 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.530 1.147 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.500 2.460 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.786 2.812 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.275 1.324 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.311 0.542 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.972 0.201 -4.007 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.742 0.690 1.417 1.00 0.00 N ATOM 1021 CA VAL A 67 -7.155 0.368 1.746 1.00 0.00 C ATOM 1022 C VAL A 67 -8.062 1.556 2.137 1.00 0.00 C ATOM 1023 O VAL A 67 -9.285 1.447 2.122 1.00 0.00 O ATOM 1024 CB VAL A 67 -7.268 -0.763 2.786 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.855 -2.104 2.174 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -6.500 -0.488 4.085 1.00 0.00 C ATOM 0 H VAL A 67 -5.069 0.258 2.050 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.548 0.027 0.788 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.319 -0.810 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.942 -2.889 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.506 -2.335 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.823 -2.044 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.627 -1.328 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.441 -0.359 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.886 0.419 4.551 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.442 2.718 2.318 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.080 3.960 2.799 1.00 0.00 C ATOM 1038 C LEU A 68 -8.330 5.022 1.713 1.00 0.00 C ATOM 1039 O LEU A 68 -9.041 5.991 1.971 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.192 4.569 3.889 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.087 3.689 5.136 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -5.932 4.186 6.007 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -8.403 3.710 5.918 1.00 0.00 C ATOM 0 H LEU A 68 -6.446 2.835 2.130 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.064 3.674 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.194 4.737 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.590 5.544 4.171 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.892 2.659 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.853 3.562 6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.001 4.132 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.118 5.218 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.311 3.079 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.628 4.732 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.208 3.334 5.286 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.537 4.952 0.646 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.666 5.830 -0.534 1.00 0.00 C ATOM 1057 C PHE A 69 -7.986 5.087 -1.843 1.00 0.00 C ATOM 1058 O PHE A 69 -8.855 5.525 -2.592 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.388 6.666 -0.678 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.267 7.734 0.416 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.773 7.412 1.676 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.686 9.033 0.157 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.702 8.377 2.672 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.611 10.002 1.150 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.121 9.676 2.409 1.00 0.00 C ATOM 0 H PHE A 69 -6.775 4.279 0.567 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.528 6.474 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.520 6.008 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.379 7.148 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.442 6.404 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.071 9.290 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.322 8.119 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.934 11.011 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.066 10.430 3.181 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.350 3.934 -2.060 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.573 3.087 -3.254 1.00 0.00 C ATOM 1077 C ALA A 70 -8.862 2.251 -3.160 1.00 0.00 C ATOM 1078 O ALA A 70 -9.635 2.198 -4.116 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.355 2.189 -3.497 1.00 0.00 C ATOM 0 H ALA A 70 -6.660 3.551 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.703 3.756 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.529 1.570 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.473 2.808 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.196 1.549 -2.629 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.052 1.561 -2.034 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.336 0.889 -1.732 1.00 0.00 C ATOM 1087 C GLN A 71 -11.026 1.346 -0.417 1.00 0.00 C ATOM 1088 O GLN A 71 -11.490 0.499 0.351 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.213 -0.643 -1.872 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.166 -1.354 -1.003 1.00 0.00 C ATOM 1091 CD GLN A 71 -7.760 -1.260 -1.599 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -6.994 -0.344 -1.340 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.396 -2.222 -2.414 1.00 0.00 N ATOM 0 H GLN A 71 -8.340 1.448 -1.312 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.034 1.228 -2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.187 -1.080 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.993 -0.868 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.166 -0.915 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.442 -2.403 -0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.041 -2.983 -2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.468 -2.209 -2.836 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.348 2.649 -0.300 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.816 3.285 0.954 1.00 0.00 C ATOM 1104 C PRO A 72 -13.272 2.995 1.380 1.00 0.00 C ATOM 1105 O PRO A 72 -13.825 3.680 2.243 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.633 4.776 0.675 1.00 0.00 C ATOM 1107 CG PRO A 72 -11.985 4.901 -0.803 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.404 3.624 -1.409 1.00 0.00 C ATOM 0 HA PRO A 72 -11.250 2.884 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.288 5.385 1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.612 5.100 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.062 4.966 -0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.546 5.794 -1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.029 3.257 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.412 3.803 -1.824 1.00 0.00 H new ATOM 1116 N THR A 73 -13.844 1.926 0.837 1.00 0.00 N ATOM 1117 CA THR A 73 -15.246 1.533 1.087 1.00 0.00 C ATOM 1118 C THR A 73 -15.239 0.127 1.690 1.00 0.00 C ATOM 1119 O THR A 73 -14.532 -0.755 1.202 1.00 0.00 O ATOM 1120 CB THR A 73 -16.112 1.522 -0.189 1.00 0.00 C ATOM 1121 OG1 THR A 73 -15.622 0.581 -1.153 1.00 0.00 O ATOM 1122 CG2 THR A 73 -16.235 2.916 -0.809 1.00 0.00 C ATOM 0 H THR A 73 -13.352 1.295 0.204 1.00 0.00 H new ATOM 0 HA THR A 73 -15.684 2.270 1.760 1.00 0.00 H new ATOM 0 HB THR A 73 -17.110 1.205 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.195 0.599 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.853 2.862 -1.705 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.696 3.594 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.244 3.285 -1.073 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.068 -0.083 2.707 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.160 -1.412 3.351 1.00 0.00 C ATOM 1132 C ILE A 74 -16.669 -2.526 2.408 1.00 0.00 C ATOM 1133 O ILE A 74 -16.311 -3.685 2.588 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.798 -1.310 4.752 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -15.975 -2.080 5.797 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.288 -1.650 4.825 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.821 -3.600 5.622 1.00 0.00 C ATOM 0 H ILE A 74 -16.681 0.628 3.106 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.152 -1.773 3.554 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.765 -0.248 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -14.976 -1.644 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.425 -1.901 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.635 -1.546 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.848 -0.970 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.444 -2.676 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.216 -4.000 6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.805 -4.069 5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.333 -3.809 4.670 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.352 -2.122 1.336 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.661 -2.970 0.164 1.00 0.00 C ATOM 1151 C LYS A 75 -16.359 -3.611 -0.369 1.00 0.00 C ATOM 1152 O LYS A 75 -16.058 -4.763 -0.055 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.377 -2.056 -0.850 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.861 -2.672 -2.171 1.00 0.00 C ATOM 1155 CD LYS A 75 -17.746 -2.799 -3.218 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.269 -3.118 -4.619 1.00 0.00 C ATOM 1157 NZ LYS A 75 -18.898 -1.942 -5.243 1.00 0.00 N ATOM 0 H LYS A 75 -17.718 -1.174 1.248 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.316 -3.809 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.242 -1.619 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.701 -1.236 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.280 -3.659 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.666 -2.059 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.180 -1.868 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.053 -3.582 -2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.447 -3.467 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.993 -3.931 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.180 -2.175 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.738 -1.666 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.220 -1.153 -5.259 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.476 -2.756 -0.884 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.168 -3.168 -1.429 1.00 0.00 C ATOM 1173 C ALA A 76 -13.234 -3.779 -0.367 1.00 0.00 C ATOM 1174 O ALA A 76 -12.600 -4.798 -0.628 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.517 -1.971 -2.116 1.00 0.00 C ATOM 0 H ALA A 76 -15.642 -1.751 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.343 -3.963 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.549 -2.266 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.159 -1.622 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.377 -1.168 -1.392 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.274 -3.241 0.853 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.546 -3.802 2.013 1.00 0.00 C ATOM 1183 C LEU A 77 -12.943 -5.259 2.314 1.00 0.00 C ATOM 1184 O LEU A 77 -12.076 -6.130 2.375 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.747 -2.928 3.262 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.220 -1.493 3.110 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.609 -0.646 4.322 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.701 -1.470 2.947 1.00 0.00 C ATOM 0 H LEU A 77 -13.811 -2.402 1.074 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.490 -3.804 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.810 -2.891 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.247 -3.400 4.108 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.674 -1.075 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.227 0.367 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.695 -0.616 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.183 -1.085 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.362 -0.439 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.234 -1.918 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.422 -2.036 2.058 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.247 -5.540 2.293 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.789 -6.909 2.427 1.00 0.00 C ATOM 1202 C ALA A 78 -14.334 -7.833 1.283 1.00 0.00 C ATOM 1203 O ALA A 78 -13.913 -8.952 1.554 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.317 -6.884 2.514 1.00 0.00 C ATOM 0 H ALA A 78 -14.967 -4.826 2.182 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.388 -7.317 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.693 -7.903 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.623 -6.299 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.726 -6.432 1.610 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.318 -7.328 0.051 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.747 -8.056 -1.107 1.00 0.00 C ATOM 1212 C GLN A 79 -12.239 -8.352 -0.984 1.00 0.00 C ATOM 1213 O GLN A 79 -11.778 -9.435 -1.333 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.040 -7.307 -2.413 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.431 -7.616 -2.986 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.594 -7.136 -2.112 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.143 -6.057 -2.277 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.019 -7.965 -1.184 1.00 0.00 N ATOM 0 H GLN A 79 -14.695 -6.410 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.242 -9.027 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.956 -6.235 -2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.283 -7.568 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.517 -7.154 -3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.521 -8.693 -3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.556 -8.864 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.812 -7.709 -0.596 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.499 -7.380 -0.461 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.057 -7.505 -0.174 1.00 0.00 C ATOM 1229 C TYR A 80 -9.664 -8.409 1.008 1.00 0.00 C ATOM 1230 O TYR A 80 -8.553 -8.936 1.029 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.436 -6.111 -0.035 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.929 -5.608 -1.389 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.812 -5.180 -2.376 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.574 -5.700 -1.678 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.345 -4.837 -3.635 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -7.103 -5.356 -2.937 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.985 -4.910 -3.913 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.492 -4.318 -5.027 1.00 0.00 O ATOM 0 H TYR A 80 -11.881 -6.466 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.647 -8.033 -1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.175 -5.416 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.612 -6.144 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.868 -5.115 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.884 -6.041 -0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.037 -4.514 -4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.049 -5.435 -3.158 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.524 -4.462 -5.073 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.527 -8.517 2.019 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.209 -9.373 3.189 1.00 0.00 C ATOM 1250 C VAL A 81 -11.114 -10.584 3.466 1.00 0.00 C ATOM 1251 O VAL A 81 -10.611 -11.700 3.564 1.00 0.00 O ATOM 1252 CB VAL A 81 -9.923 -8.568 4.469 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.684 -7.703 4.238 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.101 -7.717 4.963 1.00 0.00 C ATOM 0 H VAL A 81 -11.429 -8.043 2.064 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.283 -9.841 2.854 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.750 -9.289 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.470 -7.127 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.832 -8.342 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.865 -7.023 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.811 -7.184 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.379 -6.998 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.951 -8.364 5.179 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.420 -10.408 3.312 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.411 -11.479 3.548 1.00 0.00 C ATOM 1266 C ALA A 82 -13.828 -12.101 2.198 1.00 0.00 C ATOM 1267 O ALA A 82 -14.989 -12.107 1.785 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.592 -10.884 4.323 1.00 0.00 C ATOM 0 H ALA A 82 -12.834 -9.523 3.020 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.990 -12.286 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.335 -11.660 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.239 -10.486 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.043 -10.081 3.739 1.00 0.00 H new ATOM 1274 N THR A 83 -12.799 -12.585 1.505 1.00 0.00 N ATOM 1275 CA THR A 83 -12.861 -13.152 0.133 1.00 0.00 C ATOM 1276 C THR A 83 -11.555 -13.921 -0.158 1.00 0.00 C ATOM 1277 O THR A 83 -11.615 -15.113 -0.439 1.00 0.00 O ATOM 1278 CB THR A 83 -13.143 -12.079 -0.944 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.392 -11.431 -0.682 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.184 -12.639 -2.372 1.00 0.00 C ATOM 0 H THR A 83 -11.854 -12.600 1.888 1.00 0.00 H new ATOM 0 HA THR A 83 -13.704 -13.842 0.087 1.00 0.00 H new ATOM 0 HB THR A 83 -12.312 -11.376 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.867 -11.911 0.028 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.386 -11.830 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.224 -13.096 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.971 -13.389 -2.446 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.413 -13.227 -0.128 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.095 -13.893 -0.271 1.00 0.00 C ATOM 1290 C ARG A 84 -8.231 -13.973 1.007 1.00 0.00 C ATOM 1291 O ARG A 84 -7.404 -14.872 1.135 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.279 -13.327 -1.450 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.716 -11.908 -1.274 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.759 -10.795 -1.417 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.182 -10.577 -2.812 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.450 -10.046 -3.797 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.291 -9.439 -3.574 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.952 -9.978 -5.020 1.00 0.00 N ATOM 0 H ARG A 84 -10.364 -12.215 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.366 -14.927 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.446 -14.003 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.911 -13.336 -2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.253 -11.832 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.928 -11.748 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.632 -11.043 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.349 -9.867 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.132 -10.861 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.929 -9.365 -2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.763 -9.047 -4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.891 -10.329 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.399 -9.574 -5.776 1.00 0.00 H new ATOM 1312 N SER A 85 -8.363 -12.979 1.890 1.00 0.00 N ATOM 1313 CA SER A 85 -7.672 -12.905 3.208 1.00 0.00 C ATOM 1314 C SER A 85 -6.129 -12.860 3.134 1.00 0.00 C ATOM 1315 O SER A 85 -5.474 -13.109 4.172 1.00 0.00 O ATOM 1316 CB SER A 85 -8.124 -14.041 4.144 1.00 0.00 C ATOM 1317 OG SER A 85 -9.544 -14.017 4.324 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.637 -12.386 2.084 1.00 99.99 O ATOM 0 H SER A 85 -8.967 -12.175 1.716 1.00 0.00 H new ATOM 0 HA SER A 85 -7.978 -11.943 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.822 -15.002 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.629 -13.941 5.110 1.00 0.00 H new ATOM 0 HG SER A 85 -9.859 -13.089 4.315 1.00 0.00 H new