USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 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 55 SER OG : rot -91:sc= 0.00163 USER MOD Set 1.2: A 56 ASN : amide:sc= 0.00209 K(o=0.0037,f=-1.2) USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0.0434 USER MOD Set 2.2: A 53 TYR OH : rot 2:sc= 0.0432 USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Set 4.1: A 10 HIS :FLIP no HE2:sc= 0.0509 F(o=-0.9,f=0.46) USER MOD Set 4.2: A 113 SER OG : rot 152:sc= 0.407 USER MOD Single : A 13 TYR OH : rot 121:sc= 0.0688 USER MOD Single : A 17 LYS NZ :NH3+ -104:sc= -0.0713 (180deg=-0.482) USER MOD Single : A 18 HIS : no HE2:sc= -0.793 K(o=-0.79,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.001) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 167:sc= -7.64! (180deg=-8.63!) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.188) USER MOD Single : A 47 TYR OH : rot 74:sc= -0.038 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -135:sc= -1.6! (180deg=-3.37!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -167:sc= -0.22 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -135:sc= 0.0509 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -6.47! C(o=-6.5!,f=-13!) USER MOD Single : A 102 HIS : no HD1:sc=-0.00523 X(o=-0.0052,f=0) USER MOD Single : A 105 THR OG1 : rot 40:sc= 0.0867 USER MOD Single : A 107 MET CE :methyl -155:sc= 0 (180deg=-0.446) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00599 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot -160:sc= -1.51 USER MOD Single : A 115 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0102) USER MOD Single : A 117 GLN : amide:sc= -0.96 K(o=-0.96,f=-5.1!) USER MOD Single : A 118 SER OG : rot 80:sc= -2.16! USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -5.357 6.163 -15.352 1.00 0.00 N ATOM 89 CA HIS A 10 -4.601 6.357 -16.585 1.00 0.00 C ATOM 90 C HIS A 10 -4.274 5.018 -17.209 1.00 0.00 C ATOM 91 O HIS A 10 -4.342 3.965 -16.556 1.00 0.00 O ATOM 92 CB HIS A 10 -3.312 7.111 -16.215 1.00 0.00 C ATOM 93 CG HIS A 10 -3.233 8.499 -16.785 1.00 0.00 C ATOM 94 ND1 HIS A 10 -4.347 9.235 -17.161 1.00 0.00 N flip ATOM 95 CD2 HIS A 10 -2.053 9.212 -17.004 1.00 0.00 C flip ATOM 96 CE1 HIS A 10 -3.916 10.448 -17.631 1.00 0.00 C flip ATOM 97 NE2 HIS A 10 -2.564 10.350 -17.508 1.00 0.00 N flip ATOM 0 HA HIS A 10 -5.180 6.927 -17.312 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.236 7.170 -15.129 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.454 6.536 -16.564 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.317 8.927 -17.099 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.026 8.931 -16.822 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.502 11.274 -18.005 1.00 0.00 H new ATOM 105 N GLU A 11 -3.938 5.018 -18.485 1.00 0.00 N ATOM 106 CA GLU A 11 -3.598 3.783 -19.189 1.00 0.00 C ATOM 107 C GLU A 11 -2.538 4.043 -20.231 1.00 0.00 C ATOM 108 O GLU A 11 -2.661 4.942 -21.073 1.00 0.00 O ATOM 109 CB GLU A 11 -4.895 3.202 -19.819 1.00 0.00 C ATOM 110 CG GLU A 11 -5.844 4.201 -20.560 1.00 0.00 C ATOM 111 CD GLU A 11 -7.341 4.158 -20.242 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.787 2.926 -19.872 1.00 0.00 O ATOM 113 OE2 GLU A 11 -8.066 5.141 -20.317 1.00 0.00 O ATOM 0 H GLU A 11 -3.891 5.858 -19.062 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.185 3.053 -18.493 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.607 2.424 -20.526 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.467 2.718 -19.027 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.490 5.211 -20.352 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.728 4.036 -21.631 1.00 0.00 H new ATOM 120 N GLY A 12 -1.462 3.276 -20.184 1.00 0.00 N ATOM 121 CA GLY A 12 -0.308 3.534 -21.040 1.00 0.00 C ATOM 122 C GLY A 12 0.558 2.311 -21.224 1.00 0.00 C ATOM 123 O GLY A 12 0.202 1.182 -20.873 1.00 0.00 O ATOM 0 H GLY A 12 -1.360 2.471 -19.566 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.652 3.882 -22.014 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.289 4.337 -20.608 1.00 0.00 H new ATOM 127 N TYR A 13 1.743 2.532 -21.769 1.00 0.00 N ATOM 128 CA TYR A 13 2.771 1.503 -21.896 1.00 0.00 C ATOM 129 C TYR A 13 4.066 1.965 -21.274 1.00 0.00 C ATOM 130 O TYR A 13 4.714 2.906 -21.767 1.00 0.00 O ATOM 131 CB TYR A 13 3.043 1.175 -23.393 1.00 0.00 C ATOM 132 CG TYR A 13 3.400 -0.274 -23.741 1.00 0.00 C ATOM 133 CD1 TYR A 13 4.224 -1.029 -22.899 1.00 0.00 C ATOM 134 CD2 TYR A 13 2.906 -0.847 -24.917 1.00 0.00 C ATOM 135 CE1 TYR A 13 4.603 -2.318 -23.268 1.00 0.00 C ATOM 136 CE2 TYR A 13 3.250 -2.152 -25.259 1.00 0.00 C ATOM 137 CZ TYR A 13 4.133 -2.869 -24.456 1.00 0.00 C ATOM 138 OH TYR A 13 4.543 -4.116 -24.836 1.00 0.00 O ATOM 0 H TYR A 13 2.025 3.439 -22.141 1.00 0.00 H new ATOM 0 HA TYR A 13 2.406 0.614 -21.382 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.157 1.451 -23.965 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.856 1.815 -23.736 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.566 -0.613 -21.963 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.255 -0.275 -25.562 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.262 -2.890 -22.631 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.833 -2.607 -26.145 1.00 0.00 H new ATOM 0 HH TYR A 13 3.763 -4.701 -24.936 1.00 0.00 H new ATOM 148 N VAL A 14 4.499 1.322 -20.206 1.00 0.00 N ATOM 149 CA VAL A 14 5.656 1.795 -19.445 1.00 0.00 C ATOM 150 C VAL A 14 6.348 0.690 -18.678 1.00 0.00 C ATOM 151 O VAL A 14 6.181 -0.504 -18.942 1.00 0.00 O ATOM 152 CB VAL A 14 5.194 2.925 -18.439 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.157 3.951 -18.976 1.00 0.00 C ATOM 154 CG2 VAL A 14 4.588 2.377 -17.122 1.00 0.00 C ATOM 0 H VAL A 14 4.072 0.471 -19.840 1.00 0.00 H new ATOM 0 HA VAL A 14 6.377 2.186 -20.163 1.00 0.00 H new ATOM 0 HB VAL A 14 6.145 3.431 -18.276 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.921 4.673 -18.194 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.574 4.472 -19.838 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.248 3.428 -19.273 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.294 3.209 -16.483 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.713 1.768 -17.350 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.330 1.767 -16.606 1.00 0.00 H new ATOM 164 N THR A 15 7.132 1.100 -17.691 1.00 0.00 N ATOM 165 CA THR A 15 7.746 0.156 -16.755 1.00 0.00 C ATOM 166 C THR A 15 7.000 0.176 -15.441 1.00 0.00 C ATOM 167 O THR A 15 7.374 0.857 -14.481 1.00 0.00 O ATOM 168 CB THR A 15 9.265 0.464 -16.538 1.00 0.00 C ATOM 169 OG1 THR A 15 9.789 1.197 -17.637 1.00 0.00 O ATOM 170 CG2 THR A 15 10.199 -0.760 -16.410 1.00 0.00 C ATOM 0 H THR A 15 7.361 2.078 -17.514 1.00 0.00 H new ATOM 0 HA THR A 15 7.679 -0.843 -17.186 1.00 0.00 H new ATOM 0 HB THR A 15 9.262 1.004 -15.591 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.739 1.382 -17.484 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.225 -0.421 -16.263 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.891 -1.365 -15.557 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.141 -1.358 -17.319 1.00 0.00 H new ATOM 178 N ARG A 16 5.916 -0.574 -15.387 1.00 0.00 N ATOM 179 CA ARG A 16 4.999 -0.518 -14.253 1.00 0.00 C ATOM 180 C ARG A 16 5.337 -1.503 -13.145 1.00 0.00 C ATOM 181 O ARG A 16 6.315 -2.255 -13.144 1.00 0.00 O ATOM 182 CB ARG A 16 3.555 -0.768 -14.775 1.00 0.00 C ATOM 183 CG ARG A 16 2.510 0.275 -14.294 1.00 0.00 C ATOM 184 CD ARG A 16 1.221 -0.365 -13.763 1.00 0.00 C ATOM 185 NE ARG A 16 0.129 0.635 -13.865 1.00 0.00 N ATOM 186 CZ ARG A 16 -1.001 0.612 -13.170 1.00 0.00 C ATOM 187 NH1 ARG A 16 -1.348 -0.349 -12.366 1.00 0.00 N ATOM 188 NH2 ARG A 16 -1.801 1.610 -13.306 1.00 0.00 N ATOM 0 H ARG A 16 5.644 -1.233 -16.116 1.00 0.00 H new ATOM 0 HA ARG A 16 5.090 0.471 -13.805 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.571 -0.772 -15.865 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.233 -1.760 -14.457 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.953 0.889 -13.510 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.264 0.942 -15.121 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.974 -1.257 -14.339 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.352 -0.680 -12.728 1.00 0.00 H new ATOM 0 HE ARG A 16 0.258 1.403 -14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.734 -1.153 -12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.234 -0.299 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.556 2.379 -13.930 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.681 1.633 -12.790 1.00 0.00 H new ATOM 202 N LYS A 17 4.492 -1.483 -12.126 1.00 0.00 N ATOM 203 CA LYS A 17 4.650 -2.190 -10.859 1.00 0.00 C ATOM 204 C LYS A 17 3.623 -3.264 -10.550 1.00 0.00 C ATOM 205 O LYS A 17 2.895 -3.807 -11.382 1.00 0.00 O ATOM 206 CB LYS A 17 4.507 -1.111 -9.727 1.00 0.00 C ATOM 207 CG LYS A 17 2.999 -0.967 -9.307 1.00 0.00 C ATOM 208 CD LYS A 17 1.928 -0.975 -10.404 1.00 0.00 C ATOM 209 CE LYS A 17 0.644 -1.690 -9.934 1.00 0.00 C ATOM 210 NZ LYS A 17 0.363 -2.842 -10.814 1.00 0.00 N ATOM 0 H LYS A 17 3.627 -0.943 -12.160 1.00 0.00 H new ATOM 0 HA LYS A 17 5.612 -2.699 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.108 -1.397 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.888 -0.152 -10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.769 -1.777 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.898 -0.034 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.691 0.050 -10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.319 -1.472 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.761 -2.027 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.196 -0.996 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.416 -2.603 -11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.213 -3.072 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.093 -3.663 -10.236 1.00 0.00 H new ATOM 224 N HIS A 18 3.549 -3.572 -9.259 1.00 0.00 N ATOM 225 CA HIS A 18 2.481 -4.334 -8.633 1.00 0.00 C ATOM 226 C HIS A 18 2.725 -4.547 -7.151 1.00 0.00 C ATOM 227 O HIS A 18 3.830 -4.392 -6.624 1.00 0.00 O ATOM 228 CB HIS A 18 2.416 -5.694 -9.348 1.00 0.00 C ATOM 229 CG HIS A 18 3.758 -6.359 -9.426 1.00 0.00 C ATOM 230 ND1 HIS A 18 4.925 -5.919 -8.805 1.00 0.00 N ATOM 231 CD2 HIS A 18 3.976 -7.525 -10.148 1.00 0.00 C ATOM 232 CE1 HIS A 18 5.776 -6.882 -9.206 1.00 0.00 C ATOM 233 NE2 HIS A 18 5.295 -7.871 -10.007 1.00 0.00 N ATOM 0 H HIS A 18 4.266 -3.283 -8.593 1.00 0.00 H new ATOM 0 HA HIS A 18 1.544 -3.784 -8.722 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.719 -6.346 -8.821 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.023 -5.555 -10.355 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.088 -5.102 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.236 -8.065 -10.720 1.00 0.00 H new ATOM 0 HE1 HIS A 18 6.812 -6.870 -8.900 1.00 0.00 H new ATOM 445 N TRP A 32 10.125 -5.280 -11.374 1.00 0.00 N ATOM 446 CA TRP A 32 9.121 -4.544 -12.142 1.00 0.00 C ATOM 447 C TRP A 32 8.997 -5.111 -13.536 1.00 0.00 C ATOM 448 O TRP A 32 9.844 -5.892 -13.995 1.00 0.00 O ATOM 449 CB TRP A 32 9.526 -3.045 -12.205 1.00 0.00 C ATOM 450 CG TRP A 32 9.602 -2.340 -10.846 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.054 -2.920 -9.643 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.342 -1.017 -10.554 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.085 -1.981 -8.593 1.00 0.00 N ATOM 454 CE2 TRP A 32 9.641 -0.808 -9.184 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.877 0.053 -11.361 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.489 0.474 -8.613 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.737 1.312 -10.775 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.088 1.532 -9.435 1.00 0.00 C ATOM 0 HA TRP A 32 8.153 -4.640 -11.651 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.497 -2.966 -12.694 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.809 -2.516 -12.833 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.341 -3.956 -9.539 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.368 -2.129 -7.624 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.637 -0.103 -12.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 9.679 0.635 -7.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.352 2.131 -11.364 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.048 2.533 -9.032 1.00 0.00 H new ATOM 469 N ASP A 33 7.934 -4.756 -14.235 1.00 0.00 N ATOM 470 CA ASP A 33 7.637 -5.355 -15.535 1.00 0.00 C ATOM 471 C ASP A 33 7.158 -4.321 -16.527 1.00 0.00 C ATOM 472 O ASP A 33 6.410 -3.394 -16.198 1.00 0.00 O ATOM 473 CB ASP A 33 6.609 -6.506 -15.366 1.00 0.00 C ATOM 474 CG ASP A 33 5.922 -6.618 -13.996 1.00 0.00 C ATOM 475 OD1 ASP A 33 6.520 -6.914 -12.972 1.00 0.00 O ATOM 476 OD2 ASP A 33 4.586 -6.330 -14.048 1.00 0.00 O ATOM 0 H ASP A 33 7.258 -4.056 -13.929 1.00 0.00 H new ATOM 0 HA ASP A 33 8.558 -5.774 -15.940 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.837 -6.388 -16.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.116 -7.449 -15.571 1.00 0.00 H new ATOM 481 N LYS A 34 7.575 -4.480 -17.770 1.00 0.00 N ATOM 482 CA LYS A 34 7.083 -3.652 -18.869 1.00 0.00 C ATOM 483 C LYS A 34 5.794 -4.210 -19.422 1.00 0.00 C ATOM 484 O LYS A 34 5.705 -5.393 -19.786 1.00 0.00 O ATOM 485 CB LYS A 34 8.173 -3.554 -19.972 1.00 0.00 C ATOM 486 CG LYS A 34 8.141 -2.218 -20.756 1.00 0.00 C ATOM 487 CD LYS A 34 8.787 -2.273 -22.144 1.00 0.00 C ATOM 488 CE LYS A 34 10.282 -2.581 -21.992 1.00 0.00 C ATOM 489 NZ LYS A 34 11.011 -1.337 -21.686 1.00 0.00 N ATOM 0 H LYS A 34 8.260 -5.181 -18.051 1.00 0.00 H new ATOM 0 HA LYS A 34 6.871 -2.650 -18.497 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.155 -3.673 -19.513 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.046 -4.380 -20.672 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.104 -1.902 -20.866 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.646 -1.454 -20.165 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.306 -3.039 -22.752 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.650 -1.323 -22.660 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.435 -3.310 -21.196 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.668 -3.025 -22.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.934 -1.348 -22.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.458 -0.520 -22.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.156 -1.263 -20.659 1.00 0.00 H new ATOM 503 N VAL A 35 4.774 -3.379 -19.522 1.00 0.00 N ATOM 504 CA VAL A 35 3.441 -3.843 -19.899 1.00 0.00 C ATOM 505 C VAL A 35 2.533 -2.694 -20.272 1.00 0.00 C ATOM 506 O VAL A 35 2.902 -1.516 -20.223 1.00 0.00 O ATOM 507 CB VAL A 35 2.812 -4.666 -18.704 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.972 -6.211 -18.768 1.00 0.00 C ATOM 509 CG2 VAL A 35 3.350 -4.257 -17.311 1.00 0.00 C ATOM 0 H VAL A 35 4.838 -2.376 -19.348 1.00 0.00 H new ATOM 0 HA VAL A 35 3.540 -4.481 -20.777 1.00 0.00 H new ATOM 0 HB VAL A 35 1.761 -4.407 -18.832 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.501 -6.662 -17.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.496 -6.589 -19.673 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.031 -6.467 -18.781 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.872 -4.865 -16.543 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.428 -4.412 -17.278 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.129 -3.205 -17.130 1.00 0.00 H new ATOM 519 N TYR A 36 1.325 -3.031 -20.680 1.00 0.00 N ATOM 520 CA TYR A 36 0.264 -2.056 -20.918 1.00 0.00 C ATOM 521 C TYR A 36 -0.750 -2.123 -19.798 1.00 0.00 C ATOM 522 O TYR A 36 -1.048 -3.241 -19.307 1.00 0.00 O ATOM 523 CB TYR A 36 -0.475 -2.333 -22.260 1.00 0.00 C ATOM 524 CG TYR A 36 -0.606 -1.174 -23.253 1.00 0.00 C ATOM 525 CD1 TYR A 36 -1.305 -0.013 -22.910 1.00 0.00 C ATOM 526 CD2 TYR A 36 -0.029 -1.280 -24.524 1.00 0.00 C ATOM 527 CE1 TYR A 36 -1.504 0.988 -23.858 1.00 0.00 C ATOM 528 CE2 TYR A 36 -0.231 -0.279 -25.470 1.00 0.00 C ATOM 529 CZ TYR A 36 -0.979 0.849 -25.139 1.00 0.00 C ATOM 530 OH TYR A 36 -1.199 1.820 -26.074 1.00 0.00 O ATOM 0 H TYR A 36 1.044 -3.995 -20.859 1.00 0.00 H new ATOM 0 HA TYR A 36 0.728 -1.071 -20.964 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.041 -3.150 -22.764 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.478 -2.687 -22.023 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.691 0.108 -21.909 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.575 -2.141 -24.771 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.066 1.873 -23.598 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.191 -0.377 -26.459 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.763 1.569 -26.915 1.00 0.00 H new ATOM 540 N MET A 37 -1.281 -1.010 -19.334 1.00 0.00 N ATOM 541 CA MET A 37 -2.151 -1.029 -18.155 1.00 0.00 C ATOM 542 C MET A 37 -3.329 -0.085 -18.290 1.00 0.00 C ATOM 543 O MET A 37 -3.386 0.828 -19.117 1.00 0.00 O ATOM 544 CB MET A 37 -1.352 -0.680 -16.868 1.00 0.00 C ATOM 545 CG MET A 37 0.174 -0.535 -17.051 1.00 0.00 C ATOM 546 SD MET A 37 0.595 1.200 -17.277 1.00 0.00 S ATOM 547 CE MET A 37 1.807 1.020 -18.591 1.00 0.00 C ATOM 0 H MET A 37 -1.134 -0.087 -19.743 1.00 0.00 H new ATOM 0 HA MET A 37 -2.541 -2.044 -18.077 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.742 0.253 -16.461 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.539 -1.454 -16.124 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.694 -0.935 -16.181 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.503 -1.115 -17.913 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.017 1.996 -19.029 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.726 0.600 -18.183 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.414 0.355 -19.360 1.00 0.00 H new ATOM 557 N ALA A 38 -4.295 -0.303 -17.408 1.00 0.00 N ATOM 558 CA ALA A 38 -5.454 0.567 -17.252 1.00 0.00 C ATOM 559 C ALA A 38 -5.923 0.544 -15.809 1.00 0.00 C ATOM 560 O ALA A 38 -6.925 -0.066 -15.423 1.00 0.00 O ATOM 561 CB ALA A 38 -6.536 0.117 -18.247 1.00 0.00 C ATOM 0 H ALA A 38 -4.296 -1.100 -16.772 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.204 1.604 -17.477 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.413 0.757 -18.145 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.149 0.191 -19.263 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.815 -0.916 -18.039 1.00 0.00 H new ATOM 567 N ALA A 39 -5.146 1.206 -14.970 1.00 0.00 N ATOM 568 CA ALA A 39 -5.314 1.190 -13.522 1.00 0.00 C ATOM 569 C ALA A 39 -4.849 2.496 -12.925 1.00 0.00 C ATOM 570 O ALA A 39 -4.383 3.416 -13.623 1.00 0.00 O ATOM 571 CB ALA A 39 -4.532 -0.020 -12.981 1.00 0.00 C ATOM 0 H ALA A 39 -4.364 1.783 -15.280 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.363 1.089 -13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.635 -0.065 -11.897 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.928 -0.935 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.478 0.082 -13.242 1.00 0.00 H new ATOM 577 N LYS A 40 -5.017 2.626 -11.621 1.00 0.00 N ATOM 578 CA LYS A 40 -4.443 3.742 -10.877 1.00 0.00 C ATOM 579 C LYS A 40 -4.590 3.561 -9.386 1.00 0.00 C ATOM 580 O LYS A 40 -3.683 3.865 -8.603 1.00 0.00 O ATOM 581 CB LYS A 40 -5.114 5.072 -11.323 1.00 0.00 C ATOM 582 CG LYS A 40 -6.592 5.237 -10.881 1.00 0.00 C ATOM 583 CD LYS A 40 -7.638 4.514 -11.742 1.00 0.00 C ATOM 584 CE LYS A 40 -8.355 3.431 -10.928 1.00 0.00 C ATOM 585 NZ LYS A 40 -9.749 3.310 -11.393 1.00 0.00 N ATOM 0 H LYS A 40 -5.549 1.970 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.376 3.776 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.535 5.906 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.065 5.140 -12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.686 4.880 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.831 6.300 -10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.365 5.233 -12.120 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.154 4.064 -12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.839 2.477 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.334 3.684 -9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.291 2.731 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.176 4.256 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.765 2.857 -12.329 1.00 0.00 H new ATOM 599 N ALA A 41 -5.747 3.085 -8.969 1.00 0.00 N ATOM 600 CA ALA A 41 -6.082 3.062 -7.545 1.00 0.00 C ATOM 601 C ALA A 41 -7.432 2.410 -7.330 1.00 0.00 C ATOM 602 O ALA A 41 -7.557 1.205 -7.094 1.00 0.00 O ATOM 603 CB ALA A 41 -5.972 4.529 -7.061 1.00 0.00 C ATOM 0 H ALA A 41 -6.470 2.711 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.403 2.451 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.211 4.581 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.956 4.890 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.671 5.150 -7.621 1.00 0.00 H new ATOM 609 N GLY A 42 -8.469 3.225 -7.368 1.00 0.00 N ATOM 610 CA GLY A 42 -9.869 2.831 -7.365 1.00 0.00 C ATOM 611 C GLY A 42 -10.121 1.485 -7.998 1.00 0.00 C ATOM 612 O GLY A 42 -11.062 0.772 -7.611 1.00 0.00 O ATOM 0 H GLY A 42 -8.352 4.238 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.230 2.812 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.451 3.586 -7.894 1.00 0.00 H new ATOM 616 N ARG A 43 -9.333 1.119 -8.990 1.00 0.00 N ATOM 617 CA ARG A 43 -9.363 -0.219 -9.576 1.00 0.00 C ATOM 618 C ARG A 43 -8.085 -0.502 -10.334 1.00 0.00 C ATOM 619 O ARG A 43 -7.212 0.367 -10.474 1.00 0.00 O ATOM 620 CB ARG A 43 -10.601 -0.327 -10.504 1.00 0.00 C ATOM 621 CG ARG A 43 -11.931 -0.705 -9.796 1.00 0.00 C ATOM 622 CD ARG A 43 -13.083 -0.922 -10.786 1.00 0.00 C ATOM 623 NE ARG A 43 -13.690 0.396 -11.103 1.00 0.00 N ATOM 624 CZ ARG A 43 -14.656 0.985 -10.411 1.00 0.00 C ATOM 625 NH1 ARG A 43 -15.205 0.484 -9.344 1.00 0.00 N ATOM 626 NH2 ARG A 43 -15.073 2.127 -10.829 1.00 0.00 N ATOM 0 H ARG A 43 -8.648 1.741 -9.419 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.439 -0.965 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.738 0.628 -11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.394 -1.071 -11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.782 -1.613 -9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.203 0.084 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.716 -1.398 -11.695 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.830 -1.589 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.334 0.890 -11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.896 -0.421 -8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.945 0.996 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.662 2.546 -11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.815 2.614 -10.326 1.00 0.00 H new ATOM 640 N ILE A 44 -7.945 -1.701 -10.870 1.00 0.00 N ATOM 641 CA ILE A 44 -6.838 -2.056 -11.753 1.00 0.00 C ATOM 642 C ILE A 44 -7.311 -2.948 -12.877 1.00 0.00 C ATOM 643 O ILE A 44 -8.267 -3.721 -12.731 1.00 0.00 O ATOM 644 CB ILE A 44 -5.634 -2.724 -10.963 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.424 -1.791 -10.637 1.00 0.00 C ATOM 646 CG2 ILE A 44 -5.056 -3.985 -11.687 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.684 -0.379 -10.079 1.00 0.00 C ATOM 0 H ILE A 44 -8.600 -2.466 -10.706 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.461 -1.129 -12.186 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.116 -2.989 -10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.792 -2.314 -9.920 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.842 -1.679 -11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.236 -4.398 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.840 -4.735 -11.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.689 -3.702 -12.674 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.733 0.127 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.277 0.191 -10.794 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.226 -0.454 -9.136 1.00 0.00 H new ATOM 659 N SER A 45 -6.670 -2.845 -14.026 1.00 0.00 N ATOM 660 CA SER A 45 -6.897 -3.764 -15.138 1.00 0.00 C ATOM 661 C SER A 45 -5.627 -3.953 -15.937 1.00 0.00 C ATOM 662 O SER A 45 -5.071 -2.981 -16.483 1.00 0.00 O ATOM 663 CB SER A 45 -8.068 -3.290 -16.033 1.00 0.00 C ATOM 664 OG SER A 45 -8.041 -3.876 -17.341 1.00 0.00 O ATOM 0 H SER A 45 -5.976 -2.123 -14.220 1.00 0.00 H new ATOM 0 HA SER A 45 -7.182 -4.732 -14.726 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.013 -3.538 -15.549 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.032 -2.205 -16.126 1.00 0.00 H new ATOM 0 HG SER A 45 -8.801 -3.545 -17.864 1.00 0.00 H new ATOM 670 N PHE A 46 -5.124 -5.169 -16.033 1.00 0.00 N ATOM 671 CA PHE A 46 -3.814 -5.413 -16.651 1.00 0.00 C ATOM 672 C PHE A 46 -3.891 -6.049 -18.027 1.00 0.00 C ATOM 673 O PHE A 46 -4.744 -6.891 -18.325 1.00 0.00 O ATOM 674 CB PHE A 46 -2.991 -6.374 -15.739 1.00 0.00 C ATOM 675 CG PHE A 46 -2.518 -5.803 -14.395 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.381 -4.424 -14.210 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.245 -6.672 -13.332 1.00 0.00 C ATOM 678 CE1 PHE A 46 -2.055 -3.917 -12.954 1.00 0.00 C ATOM 679 CE2 PHE A 46 -1.920 -6.165 -12.078 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.874 -4.786 -11.879 1.00 0.00 C ATOM 0 H PHE A 46 -5.594 -6.009 -15.695 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.347 -4.434 -16.762 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.597 -7.258 -15.540 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.115 -6.706 -16.296 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.528 -3.751 -15.042 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.287 -7.740 -13.486 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.943 -2.852 -12.813 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.704 -6.838 -11.261 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.698 -4.390 -10.890 1.00 0.00 H new ATOM 690 N TYR A 47 -2.962 -5.653 -18.881 1.00 0.00 N ATOM 691 CA TYR A 47 -2.773 -6.276 -20.187 1.00 0.00 C ATOM 692 C TYR A 47 -1.396 -5.977 -20.738 1.00 0.00 C ATOM 693 O TYR A 47 -1.165 -4.909 -21.332 1.00 0.00 O ATOM 694 CB TYR A 47 -3.820 -5.751 -21.212 1.00 0.00 C ATOM 695 CG TYR A 47 -4.119 -4.247 -21.186 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.752 -3.684 -20.074 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.775 -3.434 -22.271 1.00 0.00 C ATOM 698 CE1 TYR A 47 -5.040 -2.323 -20.047 1.00 0.00 C ATOM 699 CE2 TYR A 47 -4.093 -2.078 -22.254 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.715 -1.522 -21.139 1.00 0.00 C ATOM 701 OH TYR A 47 -5.003 -0.186 -21.117 1.00 0.00 O ATOM 0 H TYR A 47 -2.314 -4.888 -18.691 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.893 -7.350 -20.044 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.476 -6.012 -22.213 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.755 -6.286 -21.047 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.018 -4.307 -19.233 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.263 -3.858 -23.122 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.515 -1.888 -19.180 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.857 -1.458 -23.106 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.378 0.273 -20.518 1.00 0.00 H new ATOM 711 N LYS A 48 -0.458 -6.896 -20.590 1.00 0.00 N ATOM 712 CA LYS A 48 0.867 -6.745 -21.193 1.00 0.00 C ATOM 713 C LYS A 48 0.746 -6.360 -22.651 1.00 0.00 C ATOM 714 O LYS A 48 1.473 -5.523 -23.194 1.00 0.00 O ATOM 715 CB LYS A 48 1.687 -8.056 -21.037 1.00 0.00 C ATOM 716 CG LYS A 48 3.137 -7.928 -21.575 1.00 0.00 C ATOM 717 CD LYS A 48 3.852 -9.251 -21.859 1.00 0.00 C ATOM 718 CE LYS A 48 4.833 -9.055 -23.023 1.00 0.00 C ATOM 719 NZ LYS A 48 5.285 -10.369 -23.513 1.00 0.00 N ATOM 0 H LYS A 48 -0.583 -7.757 -20.058 1.00 0.00 H new ATOM 0 HA LYS A 48 1.395 -5.946 -20.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.719 -8.336 -19.984 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.178 -8.862 -21.566 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.115 -7.342 -22.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.726 -7.364 -20.852 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.386 -9.588 -20.970 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.125 -10.025 -22.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.351 -8.501 -23.829 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.688 -8.463 -22.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.950 -10.236 -24.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.760 -10.882 -22.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.465 -10.918 -23.841 1.00 0.00 H new ATOM 733 N ASP A 49 -0.226 -6.973 -23.306 1.00 0.00 N ATOM 734 CA ASP A 49 -0.607 -6.643 -24.675 1.00 0.00 C ATOM 735 C ASP A 49 -2.047 -7.023 -24.934 1.00 0.00 C ATOM 736 O ASP A 49 -2.798 -7.436 -24.036 1.00 0.00 O ATOM 737 CB ASP A 49 0.355 -7.319 -25.688 1.00 0.00 C ATOM 738 CG ASP A 49 1.817 -7.510 -25.260 1.00 0.00 C ATOM 739 OD1 ASP A 49 2.659 -6.628 -25.339 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.075 -8.776 -24.808 1.00 0.00 O ATOM 0 H ASP A 49 -0.782 -7.725 -22.899 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.522 -5.565 -24.810 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.053 -8.299 -25.937 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.347 -6.729 -26.604 1.00 0.00 H new ATOM 745 N GLN A 50 -2.479 -6.868 -26.173 1.00 0.00 N ATOM 746 CA GLN A 50 -3.801 -7.335 -26.585 1.00 0.00 C ATOM 747 C GLN A 50 -3.946 -8.835 -26.422 1.00 0.00 C ATOM 748 O GLN A 50 -5.073 -9.347 -26.348 1.00 0.00 O ATOM 749 CB GLN A 50 -4.032 -6.921 -28.055 1.00 0.00 C ATOM 750 CG GLN A 50 -3.181 -7.673 -29.131 1.00 0.00 C ATOM 751 CD GLN A 50 -2.719 -6.914 -30.381 1.00 0.00 C ATOM 752 OE1 GLN A 50 -2.782 -7.423 -31.489 1.00 0.00 O ATOM 753 NE2 GLN A 50 -2.253 -5.695 -30.272 1.00 0.00 N ATOM 0 H GLN A 50 -1.938 -6.423 -26.915 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.553 -6.876 -25.943 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.086 -7.068 -28.290 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.831 -5.854 -28.145 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.291 -8.060 -28.634 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.760 -8.534 -29.465 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.192 -5.252 -29.355 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.951 -5.188 -31.104 1.00 0.00 H new ATOM 762 N LYS A 51 -2.860 -9.574 -26.334 1.00 0.00 N ATOM 763 CA LYS A 51 -2.811 -11.043 -26.340 1.00 0.00 C ATOM 764 C LYS A 51 -4.004 -11.740 -25.713 1.00 0.00 C ATOM 765 O LYS A 51 -4.820 -12.388 -26.384 1.00 0.00 O ATOM 766 CB LYS A 51 -1.521 -11.484 -25.583 1.00 0.00 C ATOM 767 CG LYS A 51 -1.195 -10.593 -24.354 1.00 0.00 C ATOM 768 CD LYS A 51 -1.139 -11.344 -23.021 1.00 0.00 C ATOM 769 CE LYS A 51 -0.131 -12.498 -23.146 1.00 0.00 C ATOM 770 NZ LYS A 51 1.233 -11.985 -22.921 1.00 0.00 N ATOM 0 H LYS A 51 -1.933 -9.156 -26.252 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.820 -11.342 -27.388 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.636 -12.517 -25.254 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.678 -11.462 -26.273 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.236 -10.103 -24.521 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.946 -9.807 -24.282 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.842 -10.668 -22.219 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.125 -11.730 -22.763 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.362 -13.277 -22.420 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.202 -12.952 -24.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.873 -12.372 -23.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.228 -10.947 -22.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.561 -12.273 -21.977 1.00 0.00 H new ATOM 784 N GLY A 52 -4.100 -11.653 -24.400 1.00 0.00 N ATOM 785 CA GLY A 52 -5.165 -12.346 -23.660 1.00 0.00 C ATOM 786 C GLY A 52 -6.491 -11.678 -23.989 1.00 0.00 C ATOM 787 O GLY A 52 -7.500 -12.318 -24.298 1.00 0.00 O ATOM 0 H GLY A 52 -3.461 -11.114 -23.816 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.193 -13.400 -23.935 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.973 -12.301 -22.588 1.00 0.00 H new ATOM 791 N TYR A 53 -6.463 -10.353 -23.939 1.00 0.00 N ATOM 792 CA TYR A 53 -7.588 -9.538 -24.386 1.00 0.00 C ATOM 793 C TYR A 53 -8.112 -10.015 -25.726 1.00 0.00 C ATOM 794 O TYR A 53 -9.290 -9.864 -26.068 1.00 0.00 O ATOM 795 CB TYR A 53 -7.166 -8.049 -24.541 1.00 0.00 C ATOM 796 CG TYR A 53 -7.419 -7.133 -23.337 1.00 0.00 C ATOM 797 CD1 TYR A 53 -6.970 -7.517 -22.069 1.00 0.00 C ATOM 798 CD2 TYR A 53 -8.099 -5.922 -23.493 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.173 -6.682 -20.975 1.00 0.00 C ATOM 800 CE2 TYR A 53 -8.372 -5.128 -22.381 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.902 -5.506 -21.126 1.00 0.00 C ATOM 802 OH TYR A 53 -8.155 -4.714 -20.041 1.00 0.00 O ATOM 0 H TYR A 53 -5.669 -9.816 -23.591 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.367 -9.632 -23.629 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.101 -8.019 -24.773 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.692 -7.634 -25.401 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.465 -8.463 -21.939 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.413 -5.602 -24.475 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.766 -6.946 -20.010 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.947 -4.221 -22.492 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.728 -5.100 -19.248 1.00 0.00 H new ATOM 812 N LYS A 54 -7.229 -10.589 -26.527 1.00 0.00 N ATOM 813 CA LYS A 54 -7.520 -11.024 -27.889 1.00 0.00 C ATOM 814 C LYS A 54 -8.298 -12.319 -27.887 1.00 0.00 C ATOM 815 O LYS A 54 -9.321 -12.473 -28.561 1.00 0.00 O ATOM 816 CB LYS A 54 -6.188 -11.172 -28.679 1.00 0.00 C ATOM 817 CG LYS A 54 -6.345 -10.913 -30.198 1.00 0.00 C ATOM 818 CD LYS A 54 -5.843 -12.031 -31.115 1.00 0.00 C ATOM 819 CE LYS A 54 -6.764 -12.129 -32.339 1.00 0.00 C ATOM 820 NZ LYS A 54 -5.956 -12.063 -33.569 1.00 0.00 N ATOM 0 H LYS A 54 -6.266 -10.771 -26.244 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.140 -10.273 -28.379 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.453 -10.477 -28.273 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.793 -12.177 -28.528 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.400 -10.738 -30.411 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.813 -9.995 -30.449 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.820 -11.828 -31.430 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.829 -12.980 -30.578 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.326 -13.062 -32.310 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.492 -11.318 -32.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.580 -12.129 -34.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.438 -11.161 -33.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.278 -12.852 -33.582 1.00 0.00 H new ATOM 834 N SER A 55 -7.806 -13.282 -27.126 1.00 0.00 N ATOM 835 CA SER A 55 -8.399 -14.616 -27.072 1.00 0.00 C ATOM 836 C SER A 55 -9.352 -14.736 -25.907 1.00 0.00 C ATOM 837 O SER A 55 -10.529 -15.085 -26.058 1.00 0.00 O ATOM 838 CB SER A 55 -7.298 -15.705 -27.023 1.00 0.00 C ATOM 839 OG SER A 55 -7.773 -16.996 -27.420 1.00 0.00 O ATOM 0 H SER A 55 -6.987 -13.166 -26.529 1.00 0.00 H new ATOM 0 HA SER A 55 -8.976 -14.772 -27.983 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.474 -15.411 -27.673 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.899 -15.766 -26.010 1.00 0.00 H new ATOM 0 HG SER A 55 -8.085 -17.487 -26.631 1.00 0.00 H new ATOM 845 N ASN A 56 -8.855 -14.445 -24.718 1.00 0.00 N ATOM 846 CA ASN A 56 -9.645 -14.539 -23.495 1.00 0.00 C ATOM 847 C ASN A 56 -9.576 -13.250 -22.709 1.00 0.00 C ATOM 848 O ASN A 56 -8.662 -13.030 -21.915 1.00 0.00 O ATOM 849 CB ASN A 56 -9.133 -15.733 -22.635 1.00 0.00 C ATOM 850 CG ASN A 56 -9.116 -17.113 -23.303 1.00 0.00 C ATOM 851 OD1 ASN A 56 -8.427 -17.356 -24.283 1.00 0.00 O ATOM 852 ND2 ASN A 56 -9.853 -18.064 -22.797 1.00 0.00 N ATOM 0 H ASN A 56 -7.894 -14.137 -24.569 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.688 -14.711 -23.761 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.120 -15.503 -22.305 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.753 -15.797 -21.740 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.848 -18.993 -23.219 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.434 -17.879 -21.979 1.00 0.00 H new ATOM 859 N PRO A 57 -10.541 -12.375 -22.924 1.00 0.00 N ATOM 860 CA PRO A 57 -10.654 -10.984 -22.299 1.00 0.00 C ATOM 861 C PRO A 57 -10.623 -10.957 -20.789 1.00 0.00 C ATOM 862 O PRO A 57 -10.242 -9.944 -20.174 1.00 0.00 O ATOM 863 CB PRO A 57 -11.987 -10.409 -22.757 1.00 0.00 C ATOM 864 CG PRO A 57 -12.224 -11.138 -24.088 1.00 0.00 C ATOM 865 CD PRO A 57 -11.710 -12.557 -23.818 1.00 0.00 C ATOM 0 HA PRO A 57 -9.784 -10.412 -22.622 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.783 -10.607 -22.039 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.939 -9.328 -22.889 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.279 -11.139 -24.362 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.682 -10.664 -24.907 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.476 -13.172 -23.346 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.425 -13.057 -24.744 1.00 0.00 H new ATOM 873 N GLU A 58 -11.035 -12.033 -20.145 1.00 0.00 N ATOM 874 CA GLU A 58 -10.921 -12.153 -18.694 1.00 0.00 C ATOM 875 C GLU A 58 -9.519 -12.548 -18.294 1.00 0.00 C ATOM 876 O GLU A 58 -8.999 -12.139 -17.249 1.00 0.00 O ATOM 877 CB GLU A 58 -11.966 -13.192 -18.197 1.00 0.00 C ATOM 878 CG GLU A 58 -11.851 -14.652 -18.748 1.00 0.00 C ATOM 879 CD GLU A 58 -12.837 -15.100 -19.829 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.022 -14.429 -19.803 1.00 0.00 O ATOM 881 OE2 GLU A 58 -12.580 -15.979 -20.641 1.00 0.00 O ATOM 0 H GLU A 58 -11.454 -12.843 -20.602 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.124 -11.189 -18.228 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.905 -13.237 -17.110 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.959 -12.816 -18.445 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.843 -14.779 -19.144 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.951 -15.335 -17.904 1.00 0.00 H new ATOM 888 N LEU A 59 -8.888 -13.368 -19.112 1.00 0.00 N ATOM 889 CA LEU A 59 -7.491 -13.746 -18.903 1.00 0.00 C ATOM 890 C LEU A 59 -6.573 -13.066 -19.892 1.00 0.00 C ATOM 891 O LEU A 59 -6.216 -13.623 -20.936 1.00 0.00 O ATOM 892 CB LEU A 59 -7.331 -15.293 -18.979 1.00 0.00 C ATOM 893 CG LEU A 59 -8.378 -16.175 -18.247 1.00 0.00 C ATOM 894 CD1 LEU A 59 -7.956 -17.652 -18.163 1.00 0.00 C ATOM 895 CD2 LEU A 59 -8.633 -15.629 -16.834 1.00 0.00 C ATOM 0 H LEU A 59 -9.318 -13.791 -19.934 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.202 -13.411 -17.907 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.334 -15.577 -20.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.347 -15.546 -18.583 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.294 -16.132 -18.836 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.725 -18.221 -17.641 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.828 -18.052 -19.169 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.015 -17.731 -17.619 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.369 -16.255 -16.329 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.702 -15.636 -16.268 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.010 -14.608 -16.901 1.00 0.00 H new ATOM 907 N THR A 60 -6.166 -11.851 -19.575 1.00 0.00 N ATOM 908 CA THR A 60 -5.159 -11.134 -20.355 1.00 0.00 C ATOM 909 C THR A 60 -3.822 -11.826 -20.248 1.00 0.00 C ATOM 910 O THR A 60 -3.775 -13.042 -19.943 1.00 0.00 O ATOM 911 CB THR A 60 -5.058 -9.642 -19.882 1.00 0.00 C ATOM 912 OG1 THR A 60 -3.964 -9.442 -18.996 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.276 -9.097 -19.101 1.00 0.00 C ATOM 0 H THR A 60 -6.519 -11.329 -18.773 1.00 0.00 H new ATOM 0 HA THR A 60 -5.461 -11.137 -21.402 1.00 0.00 H new ATOM 0 HB THR A 60 -4.963 -9.116 -20.832 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.046 -8.564 -18.568 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.096 -8.058 -18.825 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.166 -9.157 -19.727 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.426 -9.691 -18.200 1.00 0.00 H new ATOM 921 N PHE A 61 -2.728 -11.136 -20.510 1.00 0.00 N ATOM 922 CA PHE A 61 -1.405 -11.703 -20.221 1.00 0.00 C ATOM 923 C PHE A 61 -1.409 -12.273 -18.819 1.00 0.00 C ATOM 924 O PHE A 61 -2.080 -11.669 -17.939 1.00 0.00 O ATOM 925 CB PHE A 61 -0.286 -10.625 -20.321 1.00 0.00 C ATOM 926 CG PHE A 61 0.737 -10.568 -19.173 1.00 0.00 C ATOM 927 CD1 PHE A 61 1.746 -11.536 -19.100 1.00 0.00 C ATOM 928 CD2 PHE A 61 0.680 -9.560 -18.207 1.00 0.00 C ATOM 929 CE1 PHE A 61 2.697 -11.482 -18.087 1.00 0.00 C ATOM 930 CE2 PHE A 61 1.677 -9.463 -17.241 1.00 0.00 C ATOM 931 CZ PHE A 61 2.679 -10.431 -17.173 1.00 0.00 C ATOM 0 H PHE A 61 -2.717 -10.200 -20.914 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.200 -12.480 -20.957 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.258 -10.788 -21.251 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.763 -9.648 -20.398 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.786 -12.328 -19.833 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.139 -8.856 -18.210 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.448 -12.254 -18.009 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.675 -8.638 -16.544 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.442 -10.366 -16.411 1.00 0.00 H new ATOM 941 N ARG A 62 -0.756 -13.375 -18.518 1.00 0.00 N ATOM 942 CA ARG A 62 -0.906 -14.037 -17.218 1.00 0.00 C ATOM 943 C ARG A 62 -0.734 -13.092 -16.054 1.00 0.00 C ATOM 944 O ARG A 62 -1.066 -13.457 -14.903 1.00 0.00 O ATOM 945 CB ARG A 62 0.114 -15.204 -17.137 1.00 0.00 C ATOM 946 CG ARG A 62 -0.225 -16.444 -18.009 1.00 0.00 C ATOM 947 CD ARG A 62 0.857 -17.533 -17.910 1.00 0.00 C ATOM 948 NE ARG A 62 2.179 -16.887 -18.109 1.00 0.00 N ATOM 949 CZ ARG A 62 3.282 -17.137 -17.418 1.00 0.00 C ATOM 950 NH1 ARG A 62 3.369 -18.022 -16.469 1.00 0.00 N ATOM 951 NH2 ARG A 62 4.334 -16.456 -17.709 1.00 0.00 N ATOM 0 H ARG A 62 -0.109 -13.842 -19.154 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.925 -14.417 -17.145 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.094 -14.829 -17.433 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.195 -15.522 -16.098 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.184 -16.856 -17.695 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.335 -16.136 -19.049 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.815 -18.024 -16.938 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.692 -18.303 -18.663 1.00 0.00 H new ATOM 0 HE ARG A 62 2.244 -16.185 -18.846 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.553 -18.578 -16.214 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.253 -18.160 -15.980 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.299 -15.754 -18.448 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.203 -16.618 -17.201 1.00 0.00 H new ATOM 965 N GLY A 63 -0.192 -11.912 -16.260 1.00 0.00 N ATOM 966 CA GLY A 63 -0.236 -10.855 -15.242 1.00 0.00 C ATOM 967 C GLY A 63 -1.529 -10.050 -15.555 1.00 0.00 C ATOM 968 O GLY A 63 -1.540 -8.853 -15.830 1.00 0.00 O ATOM 0 H GLY A 63 0.288 -11.648 -17.121 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.266 -11.276 -14.237 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.648 -10.219 -15.295 1.00 0.00 H new ATOM 972 N GLU A 64 -2.608 -10.802 -15.515 1.00 0.00 N ATOM 973 CA GLU A 64 -3.926 -10.344 -15.959 1.00 0.00 C ATOM 974 C GLU A 64 -4.772 -9.621 -14.930 1.00 0.00 C ATOM 975 O GLU A 64 -5.656 -8.833 -15.310 1.00 0.00 O ATOM 976 CB GLU A 64 -4.680 -11.626 -16.448 1.00 0.00 C ATOM 977 CG GLU A 64 -4.833 -12.785 -15.408 1.00 0.00 C ATOM 978 CD GLU A 64 -5.967 -12.715 -14.383 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.657 -11.718 -14.214 1.00 0.00 O ATOM 980 OE2 GLU A 64 -6.135 -13.868 -13.675 1.00 0.00 O ATOM 0 H GLU A 64 -2.604 -11.762 -15.171 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.765 -9.590 -16.730 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.676 -11.331 -16.779 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.157 -12.017 -17.321 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.950 -13.714 -15.965 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.895 -12.859 -14.857 1.00 0.00 H new ATOM 987 N PRO A 65 -4.580 -9.835 -13.647 1.00 0.00 N ATOM 988 CA PRO A 65 -5.373 -9.329 -12.444 1.00 0.00 C ATOM 989 C PRO A 65 -5.995 -7.943 -12.526 1.00 0.00 C ATOM 990 O PRO A 65 -5.707 -7.083 -13.364 1.00 0.00 O ATOM 991 CB PRO A 65 -4.375 -9.308 -11.294 1.00 0.00 C ATOM 992 CG PRO A 65 -3.576 -10.590 -11.571 1.00 0.00 C ATOM 993 CD PRO A 65 -3.476 -10.680 -13.092 1.00 0.00 C ATOM 0 HA PRO A 65 -6.231 -9.994 -12.347 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.745 -8.418 -11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.867 -9.331 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.588 -10.544 -11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.079 -11.464 -11.157 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.505 -10.324 -13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.574 -11.713 -13.426 1.00 0.00 H new ATOM 1001 N SER A 66 -6.894 -7.696 -11.570 1.00 0.00 N ATOM 1002 CA SER A 66 -7.578 -6.417 -11.413 1.00 0.00 C ATOM 1003 C SER A 66 -7.852 -6.131 -9.953 1.00 0.00 C ATOM 1004 O SER A 66 -7.720 -7.006 -9.086 1.00 0.00 O ATOM 1005 CB SER A 66 -8.877 -6.379 -12.255 1.00 0.00 C ATOM 1006 OG SER A 66 -9.666 -7.567 -12.121 1.00 0.00 O ATOM 0 H SER A 66 -7.169 -8.391 -10.875 1.00 0.00 H new ATOM 0 HA SER A 66 -6.923 -5.629 -11.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.473 -5.518 -11.954 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.619 -6.237 -13.305 1.00 0.00 H new ATOM 0 HG SER A 66 -10.473 -7.488 -12.671 1.00 0.00 H new ATOM 1012 N TYR A 67 -8.261 -4.911 -9.648 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.500 -4.478 -8.271 1.00 0.00 C ATOM 1014 C TYR A 67 -9.640 -3.487 -8.203 1.00 0.00 C ATOM 1015 O TYR A 67 -10.195 -3.041 -9.212 1.00 0.00 O ATOM 1016 CB TYR A 67 -7.237 -3.797 -7.666 1.00 0.00 C ATOM 1017 CG TYR A 67 -6.035 -4.710 -7.396 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -5.184 -5.106 -8.431 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.792 -5.162 -6.093 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -4.144 -5.997 -8.178 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.770 -6.074 -5.848 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.950 -6.495 -6.892 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.955 -7.401 -6.656 1.00 0.00 O ATOM 0 H TYR A 67 -8.438 -4.188 -10.345 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.748 -5.373 -7.701 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.919 -3.004 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.522 -3.320 -6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.333 -4.721 -9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.400 -4.802 -5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.488 -6.302 -8.980 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.613 -6.455 -4.850 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.954 -7.646 -5.707 1.00 0.00 H new ATOM 1033 N ASP A 68 -10.025 -3.151 -6.986 1.00 0.00 N ATOM 1034 CA ASP A 68 -11.002 -2.098 -6.719 1.00 0.00 C ATOM 1035 C ASP A 68 -10.572 -1.286 -5.518 1.00 0.00 C ATOM 1036 O ASP A 68 -11.139 -1.423 -4.418 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.424 -2.692 -6.536 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.572 -1.686 -6.366 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.418 -0.477 -6.457 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.774 -2.289 -6.119 1.00 0.00 O ATOM 0 H ASP A 68 -9.668 -3.602 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.045 -1.430 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.645 -3.319 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.411 -3.345 -5.663 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.596 -0.414 -5.678 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.973 0.285 -4.547 1.00 0.00 C ATOM 1047 C LEU A 69 -9.166 1.789 -4.527 1.00 0.00 C ATOM 1048 O LEU A 69 -8.215 2.560 -4.804 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.446 -0.050 -4.530 1.00 0.00 C ATOM 1050 CG LEU A 69 -7.004 -1.466 -4.079 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -8.042 -2.550 -4.413 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.655 -1.828 -4.717 1.00 0.00 C ATOM 0 H LEU A 69 -9.207 -0.164 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.482 -0.076 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.060 0.113 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.955 0.673 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.908 -1.434 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.678 -3.520 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.982 -2.320 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.203 -2.580 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.355 -2.824 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.750 -1.813 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.901 -1.104 -4.409 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.333 2.285 -4.166 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.528 3.719 -3.930 1.00 0.00 C ATOM 1066 C GLN A 70 -10.169 4.093 -2.506 1.00 0.00 C ATOM 1067 O GLN A 70 -10.484 5.166 -1.983 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.993 4.087 -4.247 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.767 2.984 -5.071 1.00 0.00 C ATOM 1070 CD GLN A 70 -14.049 3.326 -5.825 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -14.427 2.656 -6.776 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.763 4.369 -5.474 1.00 0.00 N ATOM 0 H GLN A 70 -11.171 1.720 -4.027 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.865 4.283 -4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.523 4.266 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.009 5.022 -4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.066 2.578 -5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.009 2.178 -4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.471 4.945 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.611 4.604 -5.990 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.501 3.171 -1.834 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.058 3.291 -0.448 1.00 0.00 C ATOM 1083 C ASN A 71 -7.610 3.712 -0.353 1.00 0.00 C ATOM 1084 O ASN A 71 -7.202 4.473 0.530 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.270 1.914 0.254 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.541 1.765 1.097 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -10.531 1.753 2.319 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -11.689 1.666 0.476 1.00 0.00 N ATOM 0 H ASN A 71 -9.240 2.279 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.644 4.066 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.275 1.138 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.410 1.722 0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.553 1.581 1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.720 1.674 -0.544 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.801 3.194 -1.259 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.350 3.359 -1.233 1.00 0.00 C ATOM 1097 C ALA A 72 -4.938 4.803 -1.027 1.00 0.00 C ATOM 1098 O ALA A 72 -5.676 5.762 -1.272 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.790 2.779 -2.546 1.00 0.00 C ATOM 0 H ALA A 72 -7.133 2.638 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.934 2.821 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.705 2.887 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.050 1.723 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.218 3.316 -3.393 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.701 4.969 -0.582 1.00 0.00 N ATOM 1106 CA ALA A 73 -3.064 6.276 -0.450 1.00 0.00 C ATOM 1107 C ALA A 73 -2.078 6.515 -1.569 1.00 0.00 C ATOM 1108 O ALA A 73 -1.839 5.649 -2.422 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.408 6.334 0.942 1.00 0.00 C ATOM 0 H ALA A 73 -3.103 4.193 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.799 7.076 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.921 7.300 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.171 6.204 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.667 5.539 1.028 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.463 7.684 -1.582 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.520 8.044 -2.641 1.00 0.00 C ATOM 1117 C ILE A 74 0.747 8.647 -2.079 1.00 0.00 C ATOM 1118 O ILE A 74 0.760 9.284 -1.020 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.197 8.993 -3.712 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.727 8.260 -4.985 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.258 10.151 -4.174 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -2.407 9.153 -6.044 1.00 0.00 C ATOM 0 H ILE A 74 -1.596 8.405 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.234 7.125 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.053 9.399 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.892 7.743 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.439 7.496 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.776 10.768 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.016 10.762 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.643 9.732 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.735 8.538 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.269 9.651 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.698 9.901 -6.398 1.00 0.00 H new ATOM 1134 N GLU A 75 1.845 8.431 -2.785 1.00 0.00 N ATOM 1135 CA GLU A 75 3.126 9.043 -2.444 1.00 0.00 C ATOM 1136 C GLU A 75 4.130 8.858 -3.558 1.00 0.00 C ATOM 1137 O GLU A 75 3.801 8.418 -4.665 1.00 0.00 O ATOM 1138 CB GLU A 75 3.634 8.415 -1.116 1.00 0.00 C ATOM 1139 CG GLU A 75 4.560 7.157 -1.215 1.00 0.00 C ATOM 1140 CD GLU A 75 3.910 5.788 -1.430 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.654 5.690 -0.915 1.00 0.00 O ATOM 1142 OE2 GLU A 75 4.472 4.869 -2.011 1.00 0.00 O ATOM 0 H GLU A 75 1.877 7.829 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 75 2.997 10.117 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.173 9.186 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.764 8.145 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.260 7.324 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.148 7.105 -0.299 1.00 0.00 H new ATOM 1149 N ILE A 76 5.373 9.203 -3.284 1.00 0.00 N ATOM 1150 CA ILE A 76 6.468 9.004 -4.229 1.00 0.00 C ATOM 1151 C ILE A 76 7.521 8.086 -3.654 1.00 0.00 C ATOM 1152 O ILE A 76 7.561 7.808 -2.451 1.00 0.00 O ATOM 1153 CB ILE A 76 7.084 10.387 -4.694 1.00 0.00 C ATOM 1154 CG1 ILE A 76 6.087 11.320 -5.454 1.00 0.00 C ATOM 1155 CG2 ILE A 76 8.358 10.217 -5.579 1.00 0.00 C ATOM 1156 CD1 ILE A 76 4.903 11.860 -4.626 1.00 0.00 C ATOM 0 H ILE A 76 5.658 9.629 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 76 6.062 8.518 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 76 7.346 10.865 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.645 12.169 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.688 10.773 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.735 11.199 -5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.124 9.685 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.106 9.648 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.279 12.495 -5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.311 11.025 -4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.282 12.442 -3.786 1.00 0.00 H new ATOM 1168 N ALA A 77 8.402 7.606 -4.513 1.00 0.00 N ATOM 1169 CA ALA A 77 9.528 6.777 -4.092 1.00 0.00 C ATOM 1170 C ALA A 77 10.466 7.546 -3.191 1.00 0.00 C ATOM 1171 O ALA A 77 10.556 8.778 -3.237 1.00 0.00 O ATOM 1172 CB ALA A 77 10.223 6.251 -5.360 1.00 0.00 C ATOM 0 H ALA A 77 8.362 7.776 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 77 9.181 5.931 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.071 5.627 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.516 5.661 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.575 7.092 -5.958 1.00 0.00 H new ATOM 1236 N LYS A 82 17.185 5.492 -9.617 1.00 0.00 N ATOM 1237 CA LYS A 82 16.657 5.405 -10.981 1.00 0.00 C ATOM 1238 C LYS A 82 15.144 5.430 -10.972 1.00 0.00 C ATOM 1239 O LYS A 82 14.501 5.898 -11.924 1.00 0.00 O ATOM 1240 CB LYS A 82 17.195 4.137 -11.708 1.00 0.00 C ATOM 1241 CG LYS A 82 16.267 2.900 -11.689 1.00 0.00 C ATOM 1242 CD LYS A 82 15.848 2.381 -13.069 1.00 0.00 C ATOM 1243 CE LYS A 82 16.999 1.560 -13.667 1.00 0.00 C ATOM 1244 NZ LYS A 82 16.471 0.289 -14.195 1.00 0.00 N ATOM 0 HA LYS A 82 17.004 6.277 -11.536 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.400 4.397 -12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.147 3.859 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.770 2.096 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.369 3.147 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.952 1.766 -12.983 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.600 3.215 -13.725 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.486 2.123 -14.463 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.755 1.365 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.250 -0.269 -14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.025 -0.248 -13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.765 0.486 -14.933 1.00 0.00 H new ATOM 1258 N LYS A 83 14.538 4.913 -9.920 1.00 0.00 N ATOM 1259 CA LYS A 83 13.095 5.003 -9.700 1.00 0.00 C ATOM 1260 C LYS A 83 12.655 6.368 -9.216 1.00 0.00 C ATOM 1261 O LYS A 83 11.480 6.585 -8.886 1.00 0.00 O ATOM 1262 CB LYS A 83 12.680 3.928 -8.656 1.00 0.00 C ATOM 1263 CG LYS A 83 13.263 2.525 -8.948 1.00 0.00 C ATOM 1264 CD LYS A 83 12.654 1.387 -8.125 1.00 0.00 C ATOM 1265 CE LYS A 83 13.747 0.365 -7.786 1.00 0.00 C ATOM 1266 NZ LYS A 83 13.184 -0.995 -7.864 1.00 0.00 N ATOM 0 H LYS A 83 15.033 4.412 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 83 12.606 4.833 -10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.006 4.249 -7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.592 3.862 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.123 2.303 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.338 2.550 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.212 1.781 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.852 0.906 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.582 0.465 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.138 0.552 -6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.492 -1.546 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.146 -0.941 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.517 -1.459 -8.733 1.00 0.00 H new ATOM 1280 N LYS A 84 13.573 7.319 -9.132 1.00 0.00 N ATOM 1281 CA LYS A 84 13.245 8.722 -8.813 1.00 0.00 C ATOM 1282 C LYS A 84 12.416 9.469 -9.851 1.00 0.00 C ATOM 1283 O LYS A 84 12.178 10.674 -9.762 1.00 0.00 O ATOM 1284 CB LYS A 84 14.576 9.493 -8.573 1.00 0.00 C ATOM 1285 CG LYS A 84 14.918 10.533 -9.673 1.00 0.00 C ATOM 1286 CD LYS A 84 16.386 10.542 -10.109 1.00 0.00 C ATOM 1287 CE LYS A 84 17.248 11.097 -8.967 1.00 0.00 C ATOM 1288 NZ LYS A 84 18.546 10.398 -8.948 1.00 0.00 N ATOM 0 H LYS A 84 14.568 7.152 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 84 12.610 8.681 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.518 10.004 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 84 15.392 8.773 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.295 10.337 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.655 11.526 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.708 9.533 -10.366 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.509 11.153 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.401 12.168 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.737 10.964 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.131 10.773 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.390 9.380 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.034 10.547 -9.854 1.00 0.00 H new ATOM 1302 N HIS A 85 11.946 8.728 -10.831 1.00 0.00 N ATOM 1303 CA HIS A 85 10.990 9.205 -11.824 1.00 0.00 C ATOM 1304 C HIS A 85 9.733 8.361 -11.770 1.00 0.00 C ATOM 1305 O HIS A 85 9.071 8.072 -12.770 1.00 0.00 O ATOM 1306 CB HIS A 85 11.682 9.081 -13.192 1.00 0.00 C ATOM 1307 CG HIS A 85 13.020 9.761 -13.215 1.00 0.00 C ATOM 1308 ND1 HIS A 85 13.257 11.075 -13.613 1.00 0.00 N ATOM 1309 CD2 HIS A 85 14.193 9.128 -12.828 1.00 0.00 C ATOM 1310 CE1 HIS A 85 14.589 11.135 -13.429 1.00 0.00 C ATOM 1311 NE2 HIS A 85 15.223 10.022 -12.968 1.00 0.00 N ATOM 0 H HIS A 85 12.220 7.755 -10.968 1.00 0.00 H new ATOM 0 HA HIS A 85 10.695 10.238 -11.639 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.808 8.027 -13.439 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.043 9.515 -13.961 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.279 8.110 -12.478 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.139 12.040 -13.641 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.215 9.887 -12.775 1.00 0.00 H new ATOM 1319 N VAL A 86 9.403 7.928 -10.561 1.00 0.00 N ATOM 1320 CA VAL A 86 8.322 6.977 -10.323 1.00 0.00 C ATOM 1321 C VAL A 86 7.330 7.499 -9.306 1.00 0.00 C ATOM 1322 O VAL A 86 7.651 8.294 -8.415 1.00 0.00 O ATOM 1323 CB VAL A 86 8.933 5.597 -9.850 1.00 0.00 C ATOM 1324 CG1 VAL A 86 9.025 5.379 -8.313 1.00 0.00 C ATOM 1325 CG2 VAL A 86 8.193 4.350 -10.390 1.00 0.00 C ATOM 0 H VAL A 86 9.880 8.228 -9.711 1.00 0.00 H new ATOM 0 HA VAL A 86 7.777 6.834 -11.256 1.00 0.00 H new ATOM 0 HB VAL A 86 9.934 5.688 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.459 4.400 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.654 6.153 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.027 5.431 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.679 3.449 -10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.156 4.369 -10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.222 4.353 -11.480 1.00 0.00 H new ATOM 1335 N LEU A 87 6.099 7.035 -9.414 1.00 0.00 N ATOM 1336 CA LEU A 87 5.043 7.311 -8.441 1.00 0.00 C ATOM 1337 C LEU A 87 4.454 6.028 -7.902 1.00 0.00 C ATOM 1338 O LEU A 87 4.697 4.940 -8.436 1.00 0.00 O ATOM 1339 CB LEU A 87 3.947 8.213 -9.077 1.00 0.00 C ATOM 1340 CG LEU A 87 3.627 7.977 -10.583 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.178 8.330 -10.948 1.00 0.00 C ATOM 1342 CD2 LEU A 87 4.600 8.782 -11.456 1.00 0.00 C ATOM 0 H LEU A 87 5.794 6.447 -10.189 1.00 0.00 H new ATOM 0 HA LEU A 87 5.480 7.848 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.026 8.079 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.249 9.253 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 87 3.750 6.911 -10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.015 8.145 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.495 7.714 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.994 9.382 -10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.371 8.612 -12.508 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.499 9.843 -11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.622 8.463 -11.251 1.00 0.00 H new ATOM 1354 N ARG A 88 3.681 6.125 -6.837 1.00 0.00 N ATOM 1355 CA ARG A 88 3.193 4.935 -6.140 1.00 0.00 C ATOM 1356 C ARG A 88 1.959 5.211 -5.315 1.00 0.00 C ATOM 1357 O ARG A 88 1.927 6.177 -4.526 1.00 0.00 O ATOM 1358 CB ARG A 88 4.344 4.407 -5.234 1.00 0.00 C ATOM 1359 CG ARG A 88 5.717 4.156 -5.911 1.00 0.00 C ATOM 1360 CD ARG A 88 6.888 4.433 -4.949 1.00 0.00 C ATOM 1361 NE ARG A 88 7.980 3.467 -5.223 1.00 0.00 N ATOM 1362 CZ ARG A 88 8.794 2.944 -4.315 1.00 0.00 C ATOM 1363 NH1 ARG A 88 8.742 3.207 -3.042 1.00 0.00 N ATOM 1364 NH2 ARG A 88 9.696 2.124 -4.727 1.00 0.00 N ATOM 0 H ARG A 88 3.375 7.009 -6.431 1.00 0.00 H new ATOM 0 HA ARG A 88 2.903 4.189 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.492 5.121 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.015 3.473 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.768 3.124 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.811 4.793 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.248 5.454 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.555 4.341 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 88 8.117 3.180 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.040 3.855 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.403 2.766 -2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.765 1.898 -5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.342 1.700 -4.061 1.00 0.00 H new ATOM 1378 N VAL A 89 0.912 4.421 -5.463 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.251 4.507 -4.571 1.00 0.00 C ATOM 1380 C VAL A 89 -0.318 3.270 -3.702 1.00 0.00 C ATOM 1381 O VAL A 89 -0.641 2.166 -4.153 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.601 4.705 -5.367 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.685 4.021 -6.760 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.857 4.236 -4.585 1.00 0.00 C ATOM 0 H VAL A 89 0.834 3.709 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.126 5.388 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.590 5.786 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.657 4.228 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.897 4.411 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.560 2.944 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.747 4.402 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.767 3.174 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.940 4.802 -3.657 1.00 0.00 H new ATOM 1394 N LYS A 90 0.011 3.448 -2.435 1.00 0.00 N ATOM 1395 CA LYS A 90 0.149 2.335 -1.499 1.00 0.00 C ATOM 1396 C LYS A 90 -1.196 1.865 -0.993 1.00 0.00 C ATOM 1397 O LYS A 90 -2.221 2.548 -1.095 1.00 0.00 O ATOM 1398 CB LYS A 90 1.063 2.766 -0.318 1.00 0.00 C ATOM 1399 CG LYS A 90 2.378 1.953 -0.227 1.00 0.00 C ATOM 1400 CD LYS A 90 3.547 2.692 0.431 1.00 0.00 C ATOM 1401 CE LYS A 90 3.009 3.596 1.548 1.00 0.00 C ATOM 1402 NZ LYS A 90 4.136 4.241 2.242 1.00 0.00 N ATOM 0 H LYS A 90 0.191 4.363 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 90 0.606 1.495 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.305 3.823 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.512 2.657 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.185 1.038 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.675 1.655 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.262 1.977 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.080 3.288 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.344 4.352 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.421 3.009 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.772 4.854 2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.754 3.512 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.679 4.813 1.564 1.00 0.00 H new ATOM 1416 N LEU A 91 -1.199 0.673 -0.420 1.00 0.00 N ATOM 1417 CA LEU A 91 -2.419 0.030 0.058 1.00 0.00 C ATOM 1418 C LEU A 91 -2.357 -0.206 1.548 1.00 0.00 C ATOM 1419 O LEU A 91 -1.322 -0.007 2.198 1.00 0.00 O ATOM 1420 CB LEU A 91 -2.667 -1.302 -0.706 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.673 -1.298 -1.889 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -4.120 -2.716 -2.290 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -4.902 -0.450 -1.532 1.00 0.00 C ATOM 0 H LEU A 91 -0.355 0.120 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.257 0.698 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.707 -1.650 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.009 -2.042 0.018 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.156 -0.865 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.822 -2.655 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.251 -3.300 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.604 -3.199 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.602 -0.453 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.388 -0.867 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.590 0.573 -1.324 1.00 0.00 H new ATOM 1435 N ALA A 92 -3.458 -0.660 2.119 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.486 -1.062 3.523 1.00 0.00 C ATOM 1437 C ALA A 92 -3.023 -2.491 3.683 1.00 0.00 C ATOM 1438 O ALA A 92 -2.346 -2.854 4.652 1.00 0.00 O ATOM 1439 CB ALA A 92 -4.914 -0.835 4.045 1.00 0.00 C ATOM 0 H ALA A 92 -4.350 -0.762 1.634 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.794 -0.462 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.969 -1.126 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.174 0.219 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.614 -1.436 3.464 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.366 -3.323 2.717 1.00 0.00 N ATOM 1446 CA ASN A 93 -3.020 -4.742 2.760 1.00 0.00 C ATOM 1447 C ASN A 93 -1.552 -4.964 2.479 1.00 0.00 C ATOM 1448 O ASN A 93 -0.981 -6.004 2.861 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.899 -5.520 1.738 1.00 0.00 C ATOM 1450 CG ASN A 93 -4.274 -4.792 0.443 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -3.579 -4.847 -0.560 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -5.386 -4.109 0.405 1.00 0.00 N ATOM 0 H ASN A 93 -3.887 -3.044 1.886 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.216 -5.116 3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.375 -6.438 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.821 -5.814 2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.662 -3.632 -0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.978 -4.053 1.233 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.903 -4.038 1.799 1.00 0.00 N ATOM 1460 CA GLY A 94 0.494 -4.209 1.402 1.00 0.00 C ATOM 1461 C GLY A 94 0.673 -4.151 -0.096 1.00 0.00 C ATOM 1462 O GLY A 94 1.799 -3.965 -0.597 1.00 0.00 O ATOM 0 H GLY A 94 -1.318 -3.153 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.100 -3.433 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.861 -5.166 1.773 1.00 0.00 H new ATOM 1466 N ALA A 95 -0.390 -4.324 -0.857 1.00 0.00 N ATOM 1467 CA ALA A 95 -0.298 -4.370 -2.317 1.00 0.00 C ATOM 1468 C ALA A 95 -0.211 -2.983 -2.910 1.00 0.00 C ATOM 1469 O ALA A 95 -1.218 -2.342 -3.229 1.00 0.00 O ATOM 1470 CB ALA A 95 -1.516 -5.158 -2.829 1.00 0.00 C ATOM 0 H ALA A 95 -1.336 -4.436 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 95 0.618 -4.872 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.482 -5.214 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.498 -6.165 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.432 -4.654 -2.520 1.00 0.00 H new ATOM 1476 N LEU A 96 1.007 -2.506 -3.089 1.00 0.00 N ATOM 1477 CA LEU A 96 1.247 -1.155 -3.592 1.00 0.00 C ATOM 1478 C LEU A 96 1.466 -1.163 -5.086 1.00 0.00 C ATOM 1479 O LEU A 96 1.949 -2.142 -5.668 1.00 0.00 O ATOM 1480 CB LEU A 96 2.453 -0.502 -2.858 1.00 0.00 C ATOM 1481 CG LEU A 96 3.775 -1.306 -2.726 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.651 -1.094 -3.969 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.573 -0.931 -1.464 1.00 0.00 C ATOM 0 H LEU A 96 1.856 -3.036 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 96 0.359 -0.556 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.685 0.432 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.124 -0.240 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 96 3.498 -2.356 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.575 -1.663 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.114 -1.434 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.887 -0.035 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.487 -1.523 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.828 0.128 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.970 -1.132 -0.579 1.00 0.00 H new ATOM 1495 N PHE A 97 1.098 -0.076 -5.743 1.00 0.00 N ATOM 1496 CA PHE A 97 1.177 0.030 -7.196 1.00 0.00 C ATOM 1497 C PHE A 97 2.124 1.145 -7.590 1.00 0.00 C ATOM 1498 O PHE A 97 1.657 2.297 -7.827 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.219 0.352 -7.815 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.323 -0.687 -7.570 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -0.976 -1.996 -7.216 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.671 -0.328 -7.636 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -1.963 -2.958 -7.031 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.659 -1.292 -7.450 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.303 -2.616 -7.197 1.00 0.00 C ATOM 0 H PHE A 97 0.735 0.761 -5.286 1.00 0.00 H new ATOM 0 HA PHE A 97 1.534 -0.929 -7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.556 1.310 -7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.097 0.475 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.063 -2.260 -7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.947 0.698 -7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.691 -3.967 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.701 -1.014 -7.502 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.067 -3.377 -7.130 1.00 0.00 H new ATOM 1515 N LEU A 98 3.428 0.960 -7.665 1.00 0.00 N ATOM 1516 CA LEU A 98 4.357 1.968 -8.186 1.00 0.00 C ATOM 1517 C LEU A 98 4.202 2.178 -9.678 1.00 0.00 C ATOM 1518 O LEU A 98 3.554 1.375 -10.372 1.00 0.00 O ATOM 1519 CB LEU A 98 5.823 1.580 -7.845 1.00 0.00 C ATOM 1520 CG LEU A 98 6.086 0.774 -6.543 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.573 0.751 -6.149 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.256 1.352 -5.388 1.00 0.00 C ATOM 0 H LEU A 98 3.886 0.099 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 98 4.112 2.913 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.217 1.001 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.407 2.499 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 98 5.786 -0.255 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.698 0.174 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.154 0.292 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.922 1.771 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.448 0.780 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.534 2.393 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.196 1.294 -5.637 1.00 0.00 H new ATOM 1534 N LEU A 99 4.791 3.222 -10.245 1.00 0.00 N ATOM 1535 CA LEU A 99 4.580 3.559 -11.655 1.00 0.00 C ATOM 1536 C LEU A 99 5.789 4.243 -12.255 1.00 0.00 C ATOM 1537 O LEU A 99 6.111 5.384 -11.832 1.00 0.00 O ATOM 1538 CB LEU A 99 3.321 4.457 -11.820 1.00 0.00 C ATOM 1539 CG LEU A 99 2.269 4.481 -10.676 1.00 0.00 C ATOM 1540 CD1 LEU A 99 1.245 5.600 -10.946 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.524 3.155 -10.473 1.00 0.00 C ATOM 0 H LEU A 99 5.421 3.855 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 99 4.424 2.624 -12.193 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.663 5.480 -11.977 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.811 4.148 -12.732 1.00 0.00 H new ATOM 0 HG LEU A 99 2.827 4.662 -9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.506 5.618 -10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.758 6.561 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.745 5.414 -11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.810 3.260 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.993 2.892 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.239 2.369 -10.231 1.00 0.00 H new ATOM 1553 N GLN A 100 6.470 3.673 -13.230 1.00 0.00 N ATOM 1554 CA GLN A 100 7.552 4.373 -13.930 1.00 0.00 C ATOM 1555 C GLN A 100 7.125 4.748 -15.328 1.00 0.00 C ATOM 1556 O GLN A 100 7.188 3.922 -16.255 1.00 0.00 O ATOM 1557 CB GLN A 100 8.808 3.475 -13.966 1.00 0.00 C ATOM 1558 CG GLN A 100 10.171 4.212 -14.200 1.00 0.00 C ATOM 1559 CD GLN A 100 11.482 3.428 -14.071 1.00 0.00 C ATOM 1560 OE1 GLN A 100 12.340 3.740 -13.133 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 11.759 2.526 -14.846 1.00 0.00 N flip ATOM 0 H GLN A 100 6.299 2.724 -13.563 1.00 0.00 H new ATOM 0 HA GLN A 100 7.787 5.292 -13.394 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.869 2.931 -13.024 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.678 2.734 -14.754 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.143 4.641 -15.202 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.217 5.045 -13.498 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.103 2.268 -15.584 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.646 2.030 -14.756 1.00 0.00 H new ATOM 1570 N ALA A 101 6.713 5.984 -15.537 1.00 0.00 N ATOM 1571 CA ALA A 101 6.142 6.398 -16.818 1.00 0.00 C ATOM 1572 C ALA A 101 7.225 6.657 -17.842 1.00 0.00 C ATOM 1573 O ALA A 101 8.406 6.822 -17.518 1.00 0.00 O ATOM 1574 CB ALA A 101 5.257 7.628 -16.556 1.00 0.00 C ATOM 0 H ALA A 101 6.761 6.725 -14.838 1.00 0.00 H new ATOM 0 HA ALA A 101 5.529 5.604 -17.245 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.814 7.964 -17.494 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.465 7.364 -15.855 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.863 8.429 -16.134 1.00 0.00 H new ATOM 1580 N HIS A 102 6.828 6.707 -19.098 1.00 0.00 N ATOM 1581 CA HIS A 102 7.768 6.786 -20.214 1.00 0.00 C ATOM 1582 C HIS A 102 8.119 8.209 -20.577 1.00 0.00 C ATOM 1583 O HIS A 102 9.292 8.504 -20.899 1.00 0.00 O ATOM 1584 CB HIS A 102 7.065 6.100 -21.402 1.00 0.00 C ATOM 1585 CG HIS A 102 7.779 6.320 -22.702 1.00 0.00 C ATOM 1586 ND1 HIS A 102 8.989 5.738 -23.076 1.00 0.00 N ATOM 1587 CD2 HIS A 102 7.286 7.151 -23.698 1.00 0.00 C ATOM 1588 CE1 HIS A 102 9.132 6.274 -24.303 1.00 0.00 C ATOM 1589 NE2 HIS A 102 8.167 7.125 -24.748 1.00 0.00 N ATOM 0 H HIS A 102 5.848 6.694 -19.380 1.00 0.00 H new ATOM 0 HA HIS A 102 8.709 6.305 -19.946 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.994 5.030 -21.208 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.046 6.478 -21.483 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.369 7.719 -23.654 1.00 0.00 H new ATOM 0 HE1 HIS A 102 9.988 6.036 -24.917 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.113 7.619 -25.639 1.00 0.00 H new ATOM 1597 N ASP A 103 7.180 9.134 -20.525 1.00 0.00 N ATOM 1598 CA ASP A 103 7.408 10.491 -21.023 1.00 0.00 C ATOM 1599 C ASP A 103 8.054 11.378 -19.980 1.00 0.00 C ATOM 1600 O ASP A 103 8.860 12.260 -20.302 1.00 0.00 O ATOM 1601 CB ASP A 103 6.078 11.096 -21.542 1.00 0.00 C ATOM 1602 CG ASP A 103 6.129 11.800 -22.906 1.00 0.00 C ATOM 1603 OD1 ASP A 103 7.172 11.997 -23.514 1.00 0.00 O ATOM 1604 OD2 ASP A 103 4.892 12.155 -23.367 1.00 0.00 O ATOM 0 H ASP A 103 6.247 8.977 -20.143 1.00 0.00 H new ATOM 0 HA ASP A 103 8.110 10.433 -21.854 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.339 10.297 -21.599 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.718 11.811 -20.803 1.00 0.00 H new ATOM 1609 N ASP A 104 7.691 11.187 -18.728 1.00 0.00 N ATOM 1610 CA ASP A 104 8.091 12.032 -17.600 1.00 0.00 C ATOM 1611 C ASP A 104 7.138 13.192 -17.425 1.00 0.00 C ATOM 1612 O ASP A 104 7.009 13.743 -16.311 1.00 0.00 O ATOM 1613 CB ASP A 104 9.562 12.509 -17.744 1.00 0.00 C ATOM 1614 CG ASP A 104 9.811 13.937 -18.246 1.00 0.00 C ATOM 1615 OD1 ASP A 104 9.024 14.563 -18.938 1.00 0.00 O ATOM 1616 OD2 ASP A 104 11.026 14.431 -17.842 1.00 0.00 O ATOM 0 H ASP A 104 7.088 10.414 -18.449 1.00 0.00 H new ATOM 0 HA ASP A 104 8.038 11.428 -16.694 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.042 12.409 -16.771 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.070 11.823 -18.422 1.00 0.00 H new ATOM 1621 N THR A 105 6.467 13.628 -18.473 1.00 0.00 N ATOM 1622 CA THR A 105 5.407 14.626 -18.353 1.00 0.00 C ATOM 1623 C THR A 105 4.095 13.948 -18.021 1.00 0.00 C ATOM 1624 O THR A 105 3.236 14.443 -17.275 1.00 0.00 O ATOM 1625 CB THR A 105 5.295 15.476 -19.664 1.00 0.00 C ATOM 1626 OG1 THR A 105 6.452 16.287 -19.829 1.00 0.00 O ATOM 1627 CG2 THR A 105 4.113 16.467 -19.740 1.00 0.00 C ATOM 0 H THR A 105 6.634 13.308 -19.427 1.00 0.00 H new ATOM 0 HA THR A 105 5.654 15.309 -17.540 1.00 0.00 H new ATOM 0 HB THR A 105 5.159 14.713 -20.430 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.249 15.775 -19.576 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.142 16.996 -20.693 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.174 15.920 -19.657 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.187 17.185 -18.924 1.00 0.00 H new ATOM 1635 N GLU A 106 3.932 12.754 -18.560 1.00 0.00 N ATOM 1636 CA GLU A 106 2.808 11.882 -18.232 1.00 0.00 C ATOM 1637 C GLU A 106 3.083 11.196 -16.909 1.00 0.00 C ATOM 1638 O GLU A 106 2.164 10.725 -16.230 1.00 0.00 O ATOM 1639 CB GLU A 106 2.614 10.891 -19.425 1.00 0.00 C ATOM 1640 CG GLU A 106 2.812 9.373 -19.106 1.00 0.00 C ATOM 1641 CD GLU A 106 1.806 8.365 -19.665 1.00 0.00 C ATOM 1642 OE1 GLU A 106 0.529 8.569 -19.235 1.00 0.00 O ATOM 1643 OE2 GLU A 106 2.121 7.460 -20.427 1.00 0.00 O ATOM 0 H GLU A 106 4.577 12.355 -19.242 1.00 0.00 H new ATOM 0 HA GLU A 106 1.877 12.433 -18.103 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.609 11.028 -19.823 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.311 11.168 -20.216 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.800 9.087 -19.465 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.822 9.262 -18.022 1.00 0.00 H new ATOM 1650 N MET A 107 4.347 11.097 -16.534 1.00 0.00 N ATOM 1651 CA MET A 107 4.703 10.602 -15.203 1.00 0.00 C ATOM 1652 C MET A 107 3.923 11.352 -14.146 1.00 0.00 C ATOM 1653 O MET A 107 3.375 10.789 -13.193 1.00 0.00 O ATOM 1654 CB MET A 107 6.234 10.733 -14.971 1.00 0.00 C ATOM 1655 CG MET A 107 6.720 10.634 -13.509 1.00 0.00 C ATOM 1656 SD MET A 107 6.957 12.284 -12.829 1.00 0.00 S ATOM 1657 CE MET A 107 8.319 11.918 -11.713 1.00 0.00 C ATOM 0 H MET A 107 5.142 11.349 -17.122 1.00 0.00 H new ATOM 0 HA MET A 107 4.443 9.546 -15.133 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.734 9.957 -15.550 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.559 11.692 -15.375 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.992 10.086 -12.911 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.655 10.075 -13.464 1.00 0.00 H new ATOM 0 HE1 MET A 107 8.330 12.645 -10.901 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.193 10.917 -11.301 1.00 0.00 H new ATOM 0 HE3 MET A 107 9.261 11.970 -12.259 1.00 0.00 H new ATOM 1667 N SER A 108 3.846 12.663 -14.331 1.00 0.00 N ATOM 1668 CA SER A 108 3.015 13.524 -13.498 1.00 0.00 C ATOM 1669 C SER A 108 1.549 13.211 -13.705 1.00 0.00 C ATOM 1670 O SER A 108 0.841 12.798 -12.779 1.00 0.00 O ATOM 1671 CB SER A 108 3.322 15.018 -13.763 1.00 0.00 C ATOM 1672 OG SER A 108 4.702 15.262 -14.060 1.00 0.00 O ATOM 0 H SER A 108 4.357 13.160 -15.061 1.00 0.00 H new ATOM 0 HA SER A 108 3.253 13.325 -12.453 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.710 15.367 -14.595 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.035 15.603 -12.889 1.00 0.00 H new ATOM 0 HG SER A 108 4.838 16.219 -14.220 1.00 0.00 H new ATOM 1678 N GLN A 109 1.088 13.383 -14.929 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.290 13.072 -15.318 1.00 0.00 C ATOM 1680 C GLN A 109 -0.761 11.757 -14.741 1.00 0.00 C ATOM 1681 O GLN A 109 -1.969 11.557 -14.510 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.357 13.048 -16.860 1.00 0.00 C ATOM 1683 CG GLN A 109 0.156 14.332 -17.593 1.00 0.00 C ATOM 1684 CD GLN A 109 -0.853 15.431 -17.955 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -0.728 16.568 -17.531 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -1.883 15.148 -18.711 1.00 0.00 N ATOM 0 H GLN A 109 1.658 13.745 -15.694 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.955 13.837 -14.918 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.223 12.196 -17.215 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.392 12.875 -17.156 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.925 14.784 -16.967 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.642 14.013 -18.515 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.004 14.203 -19.075 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.565 15.873 -18.936 1.00 0.00 H new ATOM 1695 N TRP A 110 0.142 10.829 -14.487 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.197 9.584 -13.800 1.00 0.00 C ATOM 1697 C TRP A 110 -0.486 9.843 -12.338 1.00 0.00 C ATOM 1698 O TRP A 110 -1.581 9.564 -11.839 1.00 0.00 O ATOM 1699 CB TRP A 110 0.983 8.583 -13.945 1.00 0.00 C ATOM 1700 CG TRP A 110 0.868 7.635 -15.144 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.726 7.571 -16.260 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.044 6.608 -15.314 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.375 6.518 -17.129 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.274 5.936 -16.520 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.127 6.169 -14.506 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.503 4.833 -16.938 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.815 5.020 -14.893 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.528 4.375 -16.104 1.00 0.00 C ATOM 0 H TRP A 110 1.125 10.909 -14.746 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.094 9.160 -14.252 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.912 9.146 -14.031 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.053 7.989 -13.034 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.552 8.246 -16.429 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.826 6.247 -18.003 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.410 6.711 -13.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.309 4.352 -17.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.583 4.619 -14.248 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.107 3.512 -16.397 1.00 0.00 H new ATOM 1719 N VAL A 111 0.479 10.404 -11.635 1.00 0.00 N ATOM 1720 CA VAL A 111 0.324 10.784 -10.231 1.00 0.00 C ATOM 1721 C VAL A 111 -0.967 11.536 -10.000 1.00 0.00 C ATOM 1722 O VAL A 111 -1.691 11.332 -9.020 1.00 0.00 O ATOM 1723 CB VAL A 111 1.561 11.654 -9.775 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.395 13.196 -9.877 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.014 11.390 -8.319 1.00 0.00 C ATOM 0 H VAL A 111 1.401 10.613 -12.018 1.00 0.00 H new ATOM 0 HA VAL A 111 0.283 9.874 -9.633 1.00 0.00 H new ATOM 0 HB VAL A 111 2.301 11.319 -10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.308 13.684 -9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.200 13.473 -10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.560 13.514 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.867 12.026 -8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.194 11.615 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.300 10.344 -8.211 1.00 0.00 H new ATOM 1735 N THR A 112 -1.285 12.417 -10.938 1.00 0.00 N ATOM 1736 CA THR A 112 -2.460 13.278 -10.843 1.00 0.00 C ATOM 1737 C THR A 112 -3.722 12.498 -11.133 1.00 0.00 C ATOM 1738 O THR A 112 -4.788 12.777 -10.538 1.00 0.00 O ATOM 1739 CB THR A 112 -2.315 14.510 -11.804 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.351 14.257 -12.814 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.844 15.832 -11.153 1.00 0.00 C ATOM 0 H THR A 112 -0.737 12.557 -11.787 1.00 0.00 H new ATOM 0 HA THR A 112 -2.533 13.654 -9.823 1.00 0.00 H new ATOM 0 HB THR A 112 -3.334 14.634 -12.171 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.044 15.107 -13.194 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.781 16.610 -11.914 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.556 16.133 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.863 15.686 -10.702 1.00 0.00 H new ATOM 1749 N SER A 113 -3.666 11.506 -11.998 1.00 0.00 N ATOM 1750 CA SER A 113 -4.806 10.616 -12.223 1.00 0.00 C ATOM 1751 C SER A 113 -5.072 9.764 -11.003 1.00 0.00 C ATOM 1752 O SER A 113 -6.221 9.582 -10.570 1.00 0.00 O ATOM 1753 CB SER A 113 -4.597 9.760 -13.498 1.00 0.00 C ATOM 1754 OG SER A 113 -5.739 9.766 -14.363 1.00 0.00 O ATOM 0 H SER A 113 -2.845 11.289 -12.562 1.00 0.00 H new ATOM 0 HA SER A 113 -5.693 11.227 -12.389 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.731 10.135 -14.044 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.371 8.734 -13.208 1.00 0.00 H new ATOM 0 HG SER A 113 -5.449 9.627 -15.289 1.00 0.00 H new ATOM 1760 N LEU A 114 -4.019 9.242 -10.404 1.00 0.00 N ATOM 1761 CA LEU A 114 -4.137 8.383 -9.228 1.00 0.00 C ATOM 1762 C LEU A 114 -4.533 9.175 -8.004 1.00 0.00 C ATOM 1763 O LEU A 114 -5.184 8.658 -7.083 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.806 7.618 -8.972 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.962 7.165 -10.195 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -0.512 7.676 -10.133 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -1.958 5.630 -10.286 1.00 0.00 C ATOM 0 H LEU A 114 -3.059 9.397 -10.712 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.925 7.657 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.174 8.252 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.042 6.730 -8.385 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.426 7.597 -11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.033 7.331 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.511 8.766 -10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.030 7.294 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.365 5.318 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.526 5.213 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.980 5.270 -10.401 1.00 0.00 H new ATOM 1779 N LYS A 115 -4.130 10.430 -7.947 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.572 11.325 -6.878 1.00 0.00 C ATOM 1781 C LYS A 115 -6.077 11.455 -6.882 1.00 0.00 C ATOM 1782 O LYS A 115 -6.740 11.464 -5.839 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.897 12.715 -7.035 1.00 0.00 C ATOM 1784 CG LYS A 115 -4.709 13.864 -6.382 1.00 0.00 C ATOM 1785 CD LYS A 115 -4.102 15.261 -6.532 1.00 0.00 C ATOM 1786 CE LYS A 115 -5.174 16.314 -6.221 1.00 0.00 C ATOM 1787 NZ LYS A 115 -5.993 16.550 -7.423 1.00 0.00 N ATOM 0 H LYS A 115 -3.499 10.859 -8.624 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.274 10.901 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.903 12.682 -6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.764 12.930 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.709 13.872 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.824 13.648 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.255 15.377 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.723 15.399 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.804 15.975 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.704 17.243 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.930 16.902 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.526 17.255 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.102 15.660 -7.949 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.644 11.538 -8.073 1.00 0.00 N ATOM 1802 CA ALA A 116 -8.096 11.591 -8.227 1.00 0.00 C ATOM 1803 C ALA A 116 -8.749 10.309 -7.762 1.00 0.00 C ATOM 1804 O ALA A 116 -9.901 10.310 -7.295 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.394 11.905 -9.704 1.00 0.00 C ATOM 0 H ALA A 116 -6.125 11.570 -8.951 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.520 12.374 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.472 11.952 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.948 12.864 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.973 11.122 -10.335 1.00 0.00 H new ATOM 1811 N GLN A 117 -8.054 9.192 -7.874 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.655 7.885 -7.599 1.00 0.00 C ATOM 1813 C GLN A 117 -8.294 7.347 -6.226 1.00 0.00 C ATOM 1814 O GLN A 117 -9.138 7.340 -5.311 1.00 0.00 O ATOM 1815 CB GLN A 117 -8.211 6.911 -8.711 1.00 0.00 C ATOM 1816 CG GLN A 117 -9.196 6.776 -9.919 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.181 7.850 -11.013 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -8.880 9.006 -10.754 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -9.517 7.547 -12.241 1.00 0.00 N ATOM 0 H GLN A 117 -7.073 9.156 -8.153 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.740 7.993 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.242 7.236 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -8.067 5.925 -8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.001 5.816 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.208 6.731 -9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.772 6.588 -12.478 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.524 8.270 -12.961 1.00 0.00 H new ATOM 1828 N SER A 118 -7.083 6.865 -6.039 1.00 0.00 N ATOM 1829 CA SER A 118 -6.601 6.190 -4.830 1.00 0.00 C ATOM 1830 C SER A 118 -7.365 6.591 -3.588 1.00 0.00 C ATOM 1831 O SER A 118 -7.930 5.761 -2.868 1.00 0.00 O ATOM 1832 CB SER A 118 -5.084 6.453 -4.646 1.00 0.00 C ATOM 1833 OG SER A 118 -4.338 6.403 -5.867 1.00 0.00 O ATOM 0 H SER A 118 -6.363 6.932 -6.758 1.00 0.00 H new ATOM 0 HA SER A 118 -6.773 5.123 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.947 7.432 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.678 5.716 -3.952 1.00 0.00 H new ATOM 0 HG SER A 118 -4.446 7.248 -6.351 1.00 0.00 H new