USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 664 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 4 GLN : amide:sc= 1.64 K(o=-3.6,f=-14!) USER MOD Set 1.2: A 5 LYS NZ :NH3+ -164:sc= 0.359 (180deg=-0.993) USER MOD Set 1.3: A 71 GLN : amide:sc= -5.55! C(o=-3.6!,f=-14!) USER MOD Set 2.1: A 51 MET CE :methyl -144:sc= -4.64! (180deg=-5.88!) USER MOD Set 2.2: A 52 SER OG : rot -140:sc= -2.2! USER MOD Set 3.1: A 37 LYS NZ :NH3+ -169:sc= -0.135 (180deg=-1.33!) USER MOD Set 3.2: A 56 SER OG : rot 80:sc= 1.36 USER MOD Set 4.1: A 15 GLN : amide:sc= 0.987 K(o=-2.2,f=-5.6) USER MOD Set 4.2: A 57 THR OG1 : rot -137:sc= -3.17! USER MOD Set 5.1: A 3 GLN : amide:sc= -2.63! K(o=-1.5!,f=-2.6) USER MOD Set 5.2: A 66 GLN : amide:sc= 1.13 K(o=-1.5,f=-2.6) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -1.78 (180deg=-2.54) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 24 GLN : amide:sc= -2.59! C(o=-2.6!,f=-3.5!) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.39! C(o=-4.2!,f=-3.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 93:sc= 0.593 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.0511 (180deg=-0.492!) USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= 0.091 (180deg=-0.381) USER MOD Single : A 43 ASN : amide:sc= -5.75! C(o=-5.7!,f=-9.7!) USER MOD Single : A 45 LYS NZ :NH3+ 143:sc= -0.206 (180deg=-0.787!) USER MOD Single : A 46 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 48 MET CE :methyl -150:sc= -0.159 (180deg=-0.96) USER MOD Single : A 59 THR OG1 : rot 67:sc= -2.41! USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 0.724 (180deg=0.462) USER MOD Single : A 80 TYR OH : rot -24:sc= -1.78! USER MOD Single : A 82 GLN : amide:sc= -4.61! C(o=-4.6!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.177 6.432 -2.200 1.00 0.00 N ATOM 2 CA VAL A 2 -17.800 5.300 -1.504 1.00 0.00 C ATOM 3 C VAL A 2 -16.738 4.385 -0.887 1.00 0.00 C ATOM 4 O VAL A 2 -16.161 3.544 -1.568 1.00 0.00 O ATOM 5 CB VAL A 2 -18.718 4.536 -2.462 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.516 3.483 -1.701 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.701 5.495 -3.132 1.00 0.00 C ATOM 0 HA VAL A 2 -18.409 5.682 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.094 4.057 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.165 2.947 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.831 2.780 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.123 3.968 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.347 4.938 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.309 5.983 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.149 6.248 -3.694 1.00 0.00 H new ATOM 19 N GLN A 3 -16.453 4.554 0.404 1.00 0.00 N ATOM 20 CA GLN A 3 -15.376 3.814 1.036 1.00 0.00 C ATOM 21 C GLN A 3 -15.852 2.713 1.974 1.00 0.00 C ATOM 22 O GLN A 3 -16.635 2.970 2.884 1.00 0.00 O ATOM 23 CB GLN A 3 -14.523 4.798 1.835 1.00 0.00 C ATOM 24 CG GLN A 3 -13.181 4.179 2.209 1.00 0.00 C ATOM 25 CD GLN A 3 -12.338 5.180 2.975 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.799 6.108 2.384 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.212 5.009 4.286 1.00 0.00 N ATOM 0 H GLN A 3 -16.952 5.193 1.023 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.814 3.326 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.360 5.702 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.055 5.095 2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.340 3.287 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.655 3.863 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.675 4.225 4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.652 5.662 4.834 1.00 0.00 H new ATOM 36 N GLN A 4 -15.309 1.510 1.799 1.00 0.00 N ATOM 37 CA GLN A 4 -15.529 0.407 2.715 1.00 0.00 C ATOM 38 C GLN A 4 -14.150 -0.180 3.037 1.00 0.00 C ATOM 39 O GLN A 4 -13.201 0.045 2.284 1.00 0.00 O ATOM 40 CB GLN A 4 -16.505 -0.584 2.066 1.00 0.00 C ATOM 41 CG GLN A 4 -16.630 -1.909 2.821 1.00 0.00 C ATOM 42 CD GLN A 4 -17.207 -1.738 4.217 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.652 -1.015 5.038 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.305 -2.427 4.501 1.00 0.00 N ATOM 0 H GLN A 4 -14.702 1.278 1.013 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.992 0.706 3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.489 -0.120 1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.178 -0.787 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.264 -2.588 2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.647 -2.375 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.735 -3.017 3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.719 -2.367 5.431 1.00 0.00 H new ATOM 53 N LYS A 5 -14.002 -0.900 4.149 1.00 0.00 N ATOM 54 CA LYS A 5 -12.739 -1.494 4.525 1.00 0.00 C ATOM 55 C LYS A 5 -12.979 -2.746 5.358 1.00 0.00 C ATOM 56 O LYS A 5 -13.857 -2.758 6.220 1.00 0.00 O ATOM 57 CB LYS A 5 -11.906 -0.487 5.317 1.00 0.00 C ATOM 58 CG LYS A 5 -12.611 -0.037 6.595 1.00 0.00 C ATOM 59 CD LYS A 5 -13.678 1.001 6.268 1.00 0.00 C ATOM 60 CE LYS A 5 -14.683 1.067 7.416 1.00 0.00 C ATOM 61 NZ LYS A 5 -15.401 -0.213 7.561 1.00 0.00 N ATOM 0 H LYS A 5 -14.759 -1.082 4.808 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.194 -1.772 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.945 -0.933 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.699 0.382 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.067 -0.895 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.885 0.383 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.218 1.977 6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.185 0.739 5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.165 1.305 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.397 1.870 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.249 -0.071 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.683 -0.561 6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.778 -0.911 8.016 1.00 0.00 H new ATOM 75 N VAL A 6 -12.194 -3.789 5.108 1.00 0.00 N ATOM 76 CA VAL A 6 -12.243 -5.023 5.869 1.00 0.00 C ATOM 77 C VAL A 6 -10.806 -5.306 6.294 1.00 0.00 C ATOM 78 O VAL A 6 -9.915 -5.349 5.450 1.00 0.00 O ATOM 79 CB VAL A 6 -12.859 -6.146 5.028 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.336 -5.848 4.781 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.171 -6.270 3.673 1.00 0.00 C ATOM 0 H VAL A 6 -11.499 -3.797 4.361 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.880 -4.948 6.751 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.733 -7.078 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.773 -6.647 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.858 -5.782 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.432 -4.902 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.633 -7.076 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.274 -5.333 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.114 -6.490 3.821 1.00 0.00 H new ATOM 91 N GLU A 7 -10.530 -5.405 7.593 1.00 0.00 N ATOM 92 CA GLU A 7 -9.148 -5.550 8.005 1.00 0.00 C ATOM 93 C GLU A 7 -8.627 -6.977 7.875 1.00 0.00 C ATOM 94 O GLU A 7 -9.376 -7.939 7.687 1.00 0.00 O ATOM 95 CB GLU A 7 -8.924 -4.926 9.389 1.00 0.00 C ATOM 96 CG GLU A 7 -9.683 -5.636 10.514 1.00 0.00 C ATOM 97 CD GLU A 7 -8.979 -6.916 10.948 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.737 -6.863 11.082 1.00 0.00 O ATOM 99 OE2 GLU A 7 -9.697 -7.924 11.118 1.00 0.00 O ATOM 0 H GLU A 7 -11.218 -5.388 8.346 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.534 -4.985 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.858 -4.941 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.230 -3.880 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.779 -4.966 11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.693 -5.872 10.179 1.00 0.00 H new ATOM 106 N VAL A 8 -7.306 -7.090 7.950 1.00 0.00 N ATOM 107 CA VAL A 8 -6.593 -8.337 7.799 1.00 0.00 C ATOM 108 C VAL A 8 -5.341 -8.263 8.660 1.00 0.00 C ATOM 109 O VAL A 8 -4.760 -7.186 8.772 1.00 0.00 O ATOM 110 CB VAL A 8 -6.201 -8.508 6.316 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.064 -7.633 5.403 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.734 -8.168 6.045 1.00 0.00 C ATOM 0 H VAL A 8 -6.693 -6.293 8.122 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.209 -9.183 8.105 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.366 -9.563 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.760 -7.779 4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.112 -7.911 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.935 -6.585 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.518 -8.307 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.544 -7.131 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.094 -8.824 6.635 1.00 0.00 H new ATOM 122 N ARG A 9 -4.876 -9.367 9.244 1.00 0.00 N ATOM 123 CA ARG A 9 -3.556 -9.288 9.849 1.00 0.00 C ATOM 124 C ARG A 9 -2.579 -9.555 8.713 1.00 0.00 C ATOM 125 O ARG A 9 -2.124 -10.677 8.492 1.00 0.00 O ATOM 126 CB ARG A 9 -3.382 -10.185 11.074 1.00 0.00 C ATOM 127 CG ARG A 9 -1.904 -10.350 11.438 1.00 0.00 C ATOM 128 CD ARG A 9 -1.489 -11.748 10.995 1.00 0.00 C ATOM 129 NE ARG A 9 -0.061 -11.977 11.215 1.00 0.00 N ATOM 130 CZ ARG A 9 0.839 -12.029 10.225 1.00 0.00 C ATOM 131 NH1 ARG A 9 0.462 -11.783 8.966 1.00 0.00 N ATOM 132 NH2 ARG A 9 2.115 -12.311 10.506 1.00 0.00 N ATOM 0 H ARG A 9 -5.356 -10.265 9.309 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.373 -8.305 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.921 -9.758 11.919 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.821 -11.163 10.877 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.298 -9.592 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.755 -10.225 12.510 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.067 -12.492 11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.721 -11.880 9.938 1.00 0.00 H new ATOM 0 HE ARG A 9 0.266 -12.104 12.173 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.511 -11.556 8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.147 -11.822 8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.398 -12.485 11.470 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.805 -12.352 9.756 1.00 0.00 H new ATOM 146 N LEU A 10 -2.352 -8.472 7.974 1.00 0.00 N ATOM 147 CA LEU A 10 -1.520 -8.287 6.804 1.00 0.00 C ATOM 148 C LEU A 10 -0.453 -9.361 6.646 1.00 0.00 C ATOM 149 O LEU A 10 0.673 -9.195 7.099 1.00 0.00 O ATOM 150 CB LEU A 10 -0.920 -6.899 7.011 1.00 0.00 C ATOM 151 CG LEU A 10 0.039 -6.421 5.934 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.637 -6.417 4.566 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.418 -5.007 6.355 1.00 0.00 C ATOM 0 H LEU A 10 -2.810 -7.595 8.220 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.091 -8.371 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.736 -6.180 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.396 -6.890 7.967 1.00 0.00 H new ATOM 0 HG LEU A 10 0.909 -7.071 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.070 -6.071 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.965 -7.427 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.499 -5.750 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.112 -4.585 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.479 -4.389 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.892 -5.034 7.336 1.00 0.00 H new ATOM 165 N LYS A 11 -0.779 -10.473 5.997 1.00 0.00 N ATOM 166 CA LYS A 11 0.201 -11.524 5.828 1.00 0.00 C ATOM 167 C LYS A 11 0.937 -11.357 4.499 1.00 0.00 C ATOM 168 O LYS A 11 2.041 -11.871 4.341 1.00 0.00 O ATOM 169 CB LYS A 11 -0.459 -12.883 6.057 1.00 0.00 C ATOM 170 CG LYS A 11 0.399 -14.027 5.534 1.00 0.00 C ATOM 171 CD LYS A 11 0.062 -14.098 4.048 1.00 0.00 C ATOM 172 CE LYS A 11 -1.454 -14.077 3.890 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.056 -15.176 4.668 1.00 0.00 N ATOM 0 H LYS A 11 -1.695 -10.663 5.590 1.00 0.00 H new ATOM 0 HA LYS A 11 0.986 -11.457 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.641 -13.023 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.430 -12.903 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.460 -13.834 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.166 -14.964 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.509 -13.257 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.475 -15.006 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.850 -13.120 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.720 -14.177 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.990 -15.409 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.441 -16.013 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.162 -14.882 5.660 1.00 0.00 H new ATOM 187 N THR A 12 0.347 -10.635 3.544 1.00 0.00 N ATOM 188 CA THR A 12 1.039 -10.269 2.324 1.00 0.00 C ATOM 189 C THR A 12 2.281 -9.453 2.687 1.00 0.00 C ATOM 190 O THR A 12 3.284 -9.515 1.973 1.00 0.00 O ATOM 191 CB THR A 12 0.128 -9.407 1.441 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.613 -8.516 2.254 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.858 -10.276 0.668 1.00 0.00 C ATOM 0 H THR A 12 -0.613 -10.295 3.600 1.00 0.00 H new ATOM 0 HA THR A 12 1.317 -11.174 1.784 1.00 0.00 H new ATOM 0 HB THR A 12 0.757 -8.859 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.194 -7.964 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.493 -9.643 0.049 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.310 -10.971 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.477 -10.836 1.369 1.00 0.00 H new ATOM 201 N GLY A 13 2.148 -8.638 3.750 1.00 0.00 N ATOM 202 CA GLY A 13 3.131 -7.698 4.284 1.00 0.00 C ATOM 203 C GLY A 13 3.855 -6.984 3.156 1.00 0.00 C ATOM 204 O GLY A 13 5.057 -6.751 3.207 1.00 0.00 O ATOM 0 H GLY A 13 1.284 -8.624 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.634 -6.969 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.851 -8.230 4.906 1.00 0.00 H new ATOM 208 N LEU A 14 3.088 -6.706 2.102 1.00 0.00 N ATOM 209 CA LEU A 14 3.490 -6.031 0.888 1.00 0.00 C ATOM 210 C LEU A 14 4.876 -6.489 0.438 1.00 0.00 C ATOM 211 O LEU A 14 5.721 -5.691 0.038 1.00 0.00 O ATOM 212 CB LEU A 14 3.303 -4.534 1.051 1.00 0.00 C ATOM 213 CG LEU A 14 1.845 -4.145 0.759 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.574 -3.873 -0.711 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.836 -5.221 1.164 1.00 0.00 C ATOM 0 H LEU A 14 2.103 -6.969 2.082 1.00 0.00 H new ATOM 0 HA LEU A 14 2.844 -6.312 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.570 -4.235 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.971 -4.001 0.375 1.00 0.00 H new ATOM 0 HG LEU A 14 1.716 -3.241 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.526 -3.604 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.205 -3.052 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.796 -4.767 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.173 -4.881 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.045 -6.140 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.916 -5.410 2.235 1.00 0.00 H new ATOM 227 N GLN A 15 5.064 -7.808 0.435 1.00 0.00 N ATOM 228 CA GLN A 15 6.313 -8.457 0.080 1.00 0.00 C ATOM 229 C GLN A 15 6.476 -8.516 -1.441 1.00 0.00 C ATOM 230 O GLN A 15 6.619 -9.585 -2.032 1.00 0.00 O ATOM 231 CB GLN A 15 6.356 -9.824 0.774 1.00 0.00 C ATOM 232 CG GLN A 15 6.441 -9.568 2.283 1.00 0.00 C ATOM 233 CD GLN A 15 5.926 -10.718 3.144 1.00 0.00 C ATOM 234 OE1 GLN A 15 5.198 -10.484 4.105 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.305 -11.956 2.850 1.00 0.00 N ATOM 0 H GLN A 15 4.328 -8.468 0.687 1.00 0.00 H new ATOM 0 HA GLN A 15 7.172 -7.886 0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.466 -10.405 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.216 -10.401 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.479 -9.368 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.872 -8.669 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.910 -12.127 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.991 -12.736 3.427 1.00 0.00 H new ATOM 244 N ALA A 16 6.453 -7.344 -2.077 1.00 0.00 N ATOM 245 CA ALA A 16 6.611 -7.147 -3.509 1.00 0.00 C ATOM 246 C ALA A 16 5.502 -7.830 -4.308 1.00 0.00 C ATOM 247 O ALA A 16 4.542 -7.181 -4.704 1.00 0.00 O ATOM 248 CB ALA A 16 7.997 -7.620 -3.948 1.00 0.00 C ATOM 0 H ALA A 16 6.316 -6.465 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 16 6.525 -6.081 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.109 -7.470 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.761 -7.049 -3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.111 -8.679 -3.716 1.00 0.00 H new ATOM 254 N ARG A 17 5.631 -9.137 -4.524 1.00 0.00 N ATOM 255 CA ARG A 17 4.699 -9.950 -5.292 1.00 0.00 C ATOM 256 C ARG A 17 3.275 -9.825 -4.746 1.00 0.00 C ATOM 257 O ARG A 17 2.401 -9.284 -5.420 1.00 0.00 O ATOM 258 CB ARG A 17 5.166 -11.406 -5.269 1.00 0.00 C ATOM 259 CG ARG A 17 6.571 -11.545 -5.855 1.00 0.00 C ATOM 260 CD ARG A 17 7.368 -12.502 -4.970 1.00 0.00 C ATOM 261 NE ARG A 17 7.489 -11.944 -3.621 1.00 0.00 N ATOM 262 CZ ARG A 17 7.835 -12.620 -2.521 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.150 -13.916 -2.559 1.00 0.00 N ATOM 264 NH2 ARG A 17 7.857 -11.963 -1.364 1.00 0.00 N ATOM 0 H ARG A 17 6.415 -9.675 -4.155 1.00 0.00 H new ATOM 0 HA ARG A 17 4.682 -9.593 -6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.158 -11.777 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.470 -12.023 -5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.521 -11.925 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.061 -10.573 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.873 -13.472 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.358 -12.667 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 17 7.291 -10.949 -3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.131 -14.420 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.410 -14.403 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.614 -10.973 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.117 -12.450 -0.506 1.00 0.00 H new ATOM 278 N PRO A 18 3.030 -10.303 -3.520 1.00 0.00 N ATOM 279 CA PRO A 18 1.721 -10.246 -2.898 1.00 0.00 C ATOM 280 C PRO A 18 1.248 -8.822 -2.697 1.00 0.00 C ATOM 281 O PRO A 18 0.071 -8.510 -2.843 1.00 0.00 O ATOM 282 CB PRO A 18 1.882 -10.953 -1.558 1.00 0.00 C ATOM 283 CG PRO A 18 3.369 -10.795 -1.238 1.00 0.00 C ATOM 284 CD PRO A 18 4.011 -10.877 -2.618 1.00 0.00 C ATOM 0 HA PRO A 18 0.968 -10.719 -3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.257 -10.499 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.596 -12.003 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.580 -9.845 -0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.728 -11.583 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.950 -10.324 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.239 -11.908 -2.887 1.00 0.00 H new ATOM 292 N ALA A 19 2.188 -7.955 -2.349 1.00 0.00 N ATOM 293 CA ALA A 19 1.943 -6.550 -2.165 1.00 0.00 C ATOM 294 C ALA A 19 1.332 -5.918 -3.402 1.00 0.00 C ATOM 295 O ALA A 19 0.326 -5.219 -3.321 1.00 0.00 O ATOM 296 CB ALA A 19 3.301 -5.933 -1.988 1.00 0.00 C ATOM 0 H ALA A 19 3.158 -8.224 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 19 1.262 -6.398 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.196 -4.858 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.789 -6.372 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.905 -6.121 -2.876 1.00 0.00 H new ATOM 302 N ALA A 20 1.987 -6.141 -4.538 1.00 0.00 N ATOM 303 CA ALA A 20 1.563 -5.606 -5.814 1.00 0.00 C ATOM 304 C ALA A 20 0.316 -6.338 -6.257 1.00 0.00 C ATOM 305 O ALA A 20 -0.535 -5.717 -6.869 1.00 0.00 O ATOM 306 CB ALA A 20 2.686 -5.763 -6.834 1.00 0.00 C ATOM 0 H ALA A 20 2.835 -6.705 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 20 1.336 -4.544 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.364 -5.359 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.568 -5.223 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.929 -6.819 -6.948 1.00 0.00 H new ATOM 312 N LEU A 21 0.172 -7.628 -5.943 1.00 0.00 N ATOM 313 CA LEU A 21 -1.068 -8.335 -6.236 1.00 0.00 C ATOM 314 C LEU A 21 -2.208 -7.574 -5.551 1.00 0.00 C ATOM 315 O LEU A 21 -3.216 -7.231 -6.168 1.00 0.00 O ATOM 316 CB LEU A 21 -0.955 -9.779 -5.750 1.00 0.00 C ATOM 317 CG LEU A 21 -2.007 -10.687 -6.390 1.00 0.00 C ATOM 318 CD1 LEU A 21 -3.421 -10.283 -5.985 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.873 -10.631 -7.910 1.00 0.00 C ATOM 0 H LEU A 21 0.891 -8.194 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.269 -8.376 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.040 -10.161 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.065 -9.806 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.835 -11.703 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.140 -10.951 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.523 -10.351 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.612 -9.258 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.623 -11.278 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.022 -9.607 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.878 -10.968 -8.200 1.00 0.00 H new ATOM 331 N PHE A 22 -1.988 -7.264 -4.274 1.00 0.00 N ATOM 332 CA PHE A 22 -2.836 -6.444 -3.431 1.00 0.00 C ATOM 333 C PHE A 22 -3.139 -5.124 -4.143 1.00 0.00 C ATOM 334 O PHE A 22 -4.275 -4.890 -4.556 1.00 0.00 O ATOM 335 CB PHE A 22 -2.059 -6.247 -2.121 1.00 0.00 C ATOM 336 CG PHE A 22 -2.415 -5.063 -1.253 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.445 -5.141 -0.303 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.601 -3.921 -1.305 1.00 0.00 C ATOM 339 CE1 PHE A 22 -3.661 -4.076 0.591 1.00 0.00 C ATOM 340 CE2 PHE A 22 -1.843 -2.840 -0.445 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.862 -2.922 0.519 1.00 0.00 C ATOM 0 H PHE A 22 -1.163 -7.602 -3.778 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.802 -6.904 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.182 -7.149 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.000 -6.172 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.072 -6.019 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.785 -3.874 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.442 -4.145 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.246 -1.944 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.030 -2.102 1.201 1.00 0.00 H new ATOM 351 N VAL A 23 -2.125 -4.275 -4.322 1.00 0.00 N ATOM 352 CA VAL A 23 -2.286 -2.961 -4.907 1.00 0.00 C ATOM 353 C VAL A 23 -2.911 -3.017 -6.305 1.00 0.00 C ATOM 354 O VAL A 23 -3.583 -2.066 -6.679 1.00 0.00 O ATOM 355 CB VAL A 23 -0.928 -2.260 -4.996 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.129 -2.142 -3.686 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.210 -2.907 -6.163 1.00 0.00 C ATOM 0 H VAL A 23 -1.163 -4.491 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.962 -2.404 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.068 -1.195 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.812 -1.628 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.708 -1.577 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.076 -3.138 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.773 -2.451 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.094 -3.974 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.792 -2.762 -7.073 1.00 0.00 H new ATOM 367 N GLN A 24 -2.614 -4.046 -7.106 1.00 0.00 N ATOM 368 CA GLN A 24 -3.071 -4.219 -8.477 1.00 0.00 C ATOM 369 C GLN A 24 -4.532 -4.604 -8.535 1.00 0.00 C ATOM 370 O GLN A 24 -5.262 -4.068 -9.353 1.00 0.00 O ATOM 371 CB GLN A 24 -2.199 -5.203 -9.255 1.00 0.00 C ATOM 372 CG GLN A 24 -2.362 -6.620 -8.723 1.00 0.00 C ATOM 373 CD GLN A 24 -1.637 -7.625 -9.590 1.00 0.00 C ATOM 374 OE1 GLN A 24 -0.418 -7.745 -9.550 1.00 0.00 O ATOM 375 NE2 GLN A 24 -2.403 -8.373 -10.371 1.00 0.00 N ATOM 0 H GLN A 24 -2.019 -4.814 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.970 -3.250 -8.967 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.467 -5.175 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.154 -4.902 -9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.979 -6.673 -7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.421 -6.873 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.414 -8.239 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.981 -9.083 -10.970 1.00 0.00 H new ATOM 384 N GLU A 25 -4.973 -5.530 -7.686 1.00 0.00 N ATOM 385 CA GLU A 25 -6.374 -5.885 -7.643 1.00 0.00 C ATOM 386 C GLU A 25 -7.103 -4.673 -7.114 1.00 0.00 C ATOM 387 O GLU A 25 -8.012 -4.176 -7.772 1.00 0.00 O ATOM 388 CB GLU A 25 -6.609 -7.112 -6.764 1.00 0.00 C ATOM 389 CG GLU A 25 -5.743 -8.277 -7.230 1.00 0.00 C ATOM 390 CD GLU A 25 -5.941 -8.570 -8.708 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.112 -8.583 -9.147 1.00 0.00 O ATOM 392 OE2 GLU A 25 -4.904 -8.758 -9.375 1.00 0.00 O ATOM 0 H GLU A 25 -4.381 -6.038 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.741 -6.156 -8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.379 -6.872 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.661 -7.396 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.694 -8.048 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.985 -9.166 -6.647 1.00 0.00 H new ATOM 399 N ALA A 26 -6.622 -4.162 -5.975 1.00 0.00 N ATOM 400 CA ALA A 26 -7.061 -2.910 -5.391 1.00 0.00 C ATOM 401 C ALA A 26 -7.173 -1.863 -6.489 1.00 0.00 C ATOM 402 O ALA A 26 -8.162 -1.150 -6.553 1.00 0.00 O ATOM 403 CB ALA A 26 -5.997 -2.458 -4.403 1.00 0.00 C ATOM 0 H ALA A 26 -5.898 -4.627 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.025 -3.036 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.301 -1.516 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.876 -3.214 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.051 -2.319 -4.926 1.00 0.00 H new ATOM 409 N ASN A 27 -6.146 -1.804 -7.337 1.00 0.00 N ATOM 410 CA ASN A 27 -6.023 -0.928 -8.487 1.00 0.00 C ATOM 411 C ASN A 27 -7.042 -1.196 -9.583 1.00 0.00 C ATOM 412 O ASN A 27 -7.516 -0.264 -10.224 1.00 0.00 O ATOM 413 CB ASN A 27 -4.676 -1.223 -9.130 1.00 0.00 C ATOM 414 CG ASN A 27 -3.796 0.011 -9.201 1.00 0.00 C ATOM 415 OD1 ASN A 27 -2.956 0.185 -8.189 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 -3.865 0.789 -10.143 1.00 0.00 N flip ATOM 0 H ASN A 27 -5.331 -2.407 -7.226 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.159 0.089 -8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.165 -2.000 -8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.832 -1.615 -10.135 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.526 0.616 -10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.261 1.611 -10.171 1.00 0.00 H new ATOM 423 N ARG A 28 -7.306 -2.476 -9.852 1.00 0.00 N ATOM 424 CA ARG A 28 -8.234 -2.881 -10.904 1.00 0.00 C ATOM 425 C ARG A 28 -9.584 -2.329 -10.509 1.00 0.00 C ATOM 426 O ARG A 28 -10.297 -1.686 -11.278 1.00 0.00 O ATOM 427 CB ARG A 28 -8.296 -4.402 -10.984 1.00 0.00 C ATOM 428 CG ARG A 28 -6.956 -4.928 -11.486 1.00 0.00 C ATOM 429 CD ARG A 28 -6.938 -6.456 -11.505 1.00 0.00 C ATOM 430 NE ARG A 28 -5.680 -6.942 -12.079 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.454 -8.226 -12.383 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.333 -9.165 -12.018 1.00 0.00 N ATOM 433 NH2 ARG A 28 -4.344 -8.564 -13.045 1.00 0.00 N ATOM 0 H ARG A 28 -6.884 -3.256 -9.348 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.921 -2.508 -11.879 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.522 -4.822 -10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.097 -4.711 -11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.764 -4.546 -12.489 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.154 -4.560 -10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.056 -6.841 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.780 -6.829 -12.088 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.937 -6.266 -12.256 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.176 -8.903 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.160 -10.143 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.673 -7.845 -13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.167 -9.541 -13.279 1.00 0.00 H new ATOM 447 N PHE A 29 -9.878 -2.599 -9.246 1.00 0.00 N ATOM 448 CA PHE A 29 -10.958 -2.028 -8.511 1.00 0.00 C ATOM 449 C PHE A 29 -10.869 -0.515 -8.656 1.00 0.00 C ATOM 450 O PHE A 29 -9.922 0.101 -8.179 1.00 0.00 O ATOM 451 CB PHE A 29 -10.691 -2.427 -7.069 1.00 0.00 C ATOM 452 CG PHE A 29 -10.952 -3.884 -6.773 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.023 -4.545 -7.397 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.146 -4.569 -5.851 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.344 -5.863 -7.039 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.441 -5.899 -5.518 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.569 -6.528 -6.074 1.00 0.00 C ATOM 0 H PHE A 29 -9.331 -3.259 -8.692 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.942 -2.356 -8.846 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.653 -2.199 -6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.313 -1.817 -6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.601 -4.037 -8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.300 -4.073 -5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.182 -6.363 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.802 -6.440 -4.835 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.840 -7.525 -5.759 1.00 0.00 H new ATOM 467 N THR A 30 -11.852 0.112 -9.286 1.00 0.00 N ATOM 468 CA THR A 30 -11.826 1.559 -9.471 1.00 0.00 C ATOM 469 C THR A 30 -12.252 2.288 -8.182 1.00 0.00 C ATOM 470 O THR A 30 -13.180 3.089 -8.146 1.00 0.00 O ATOM 471 CB THR A 30 -12.673 1.868 -10.705 1.00 0.00 C ATOM 472 OG1 THR A 30 -11.927 1.545 -11.857 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.177 3.298 -10.778 1.00 0.00 C ATOM 0 H THR A 30 -12.672 -0.352 -9.676 1.00 0.00 H new ATOM 0 HA THR A 30 -10.820 1.934 -9.656 1.00 0.00 H new ATOM 0 HB THR A 30 -13.573 1.256 -10.636 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.460 1.737 -12.657 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.768 3.430 -11.684 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.796 3.510 -9.907 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.329 3.982 -10.796 1.00 0.00 H new ATOM 481 N SER A 31 -11.543 2.000 -7.101 1.00 0.00 N ATOM 482 CA SER A 31 -11.758 2.508 -5.777 1.00 0.00 C ATOM 483 C SER A 31 -10.518 3.181 -5.210 1.00 0.00 C ATOM 484 O SER A 31 -9.390 2.781 -5.496 1.00 0.00 O ATOM 485 CB SER A 31 -12.120 1.320 -4.882 1.00 0.00 C ATOM 486 OG SER A 31 -13.261 0.629 -5.363 1.00 0.00 O ATOM 0 H SER A 31 -10.750 1.360 -7.141 1.00 0.00 H new ATOM 0 HA SER A 31 -12.550 3.256 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.275 0.634 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.309 1.673 -3.868 1.00 0.00 H new ATOM 0 HG SER A 31 -12.976 -0.112 -5.938 1.00 0.00 H new ATOM 492 N ASP A 32 -10.740 4.191 -4.365 1.00 0.00 N ATOM 493 CA ASP A 32 -9.694 4.793 -3.556 1.00 0.00 C ATOM 494 C ASP A 32 -9.341 3.716 -2.542 1.00 0.00 C ATOM 495 O ASP A 32 -9.947 3.634 -1.478 1.00 0.00 O ATOM 496 CB ASP A 32 -10.235 6.037 -2.850 1.00 0.00 C ATOM 497 CG ASP A 32 -10.450 7.192 -3.813 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.429 7.703 -4.319 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.632 7.542 -4.021 1.00 0.00 O ATOM 0 H ASP A 32 -11.659 4.612 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.831 5.110 -4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.178 5.794 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.539 6.342 -2.069 1.00 0.00 H new ATOM 504 N VAL A 33 -8.466 2.801 -2.933 1.00 0.00 N ATOM 505 CA VAL A 33 -8.137 1.661 -2.116 1.00 0.00 C ATOM 506 C VAL A 33 -7.193 2.070 -0.998 1.00 0.00 C ATOM 507 O VAL A 33 -6.294 2.891 -1.181 1.00 0.00 O ATOM 508 CB VAL A 33 -7.617 0.559 -3.029 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.189 -0.664 -2.230 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.764 0.214 -3.975 1.00 0.00 C ATOM 0 H VAL A 33 -7.970 2.835 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.011 1.260 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.735 0.891 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.823 -1.433 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.396 -0.386 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.041 -1.050 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.448 -0.575 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.622 -0.128 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.042 1.099 -4.548 1.00 0.00 H new ATOM 520 N PHE A 34 -7.400 1.493 0.177 1.00 0.00 N ATOM 521 CA PHE A 34 -6.623 1.841 1.344 1.00 0.00 C ATOM 522 C PHE A 34 -6.231 0.617 2.153 1.00 0.00 C ATOM 523 O PHE A 34 -6.660 -0.499 1.873 1.00 0.00 O ATOM 524 CB PHE A 34 -7.377 2.855 2.209 1.00 0.00 C ATOM 525 CG PHE A 34 -7.712 4.152 1.507 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.679 4.954 0.995 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.048 4.558 1.364 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.981 6.147 0.316 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.352 5.753 0.688 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.318 6.545 0.159 1.00 0.00 C ATOM 0 H PHE A 34 -8.107 0.777 0.341 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.698 2.302 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.302 2.397 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.777 3.078 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.650 4.653 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.843 3.952 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.185 6.757 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.381 6.063 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.552 7.458 -0.368 1.00 0.00 H new ATOM 540 N LEU A 35 -5.396 0.836 3.156 1.00 0.00 N ATOM 541 CA LEU A 35 -4.993 -0.194 4.086 1.00 0.00 C ATOM 542 C LEU A 35 -4.725 0.519 5.397 1.00 0.00 C ATOM 543 O LEU A 35 -3.822 1.348 5.462 1.00 0.00 O ATOM 544 CB LEU A 35 -3.772 -0.946 3.569 1.00 0.00 C ATOM 545 CG LEU A 35 -3.643 -2.236 4.372 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.893 -3.087 4.159 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.422 -3.018 3.904 1.00 0.00 C ATOM 0 H LEU A 35 -4.977 1.746 3.345 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.763 -0.954 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.881 -1.167 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.874 -0.337 3.678 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.533 -1.992 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.806 -4.011 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.771 -2.534 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.996 -3.324 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.336 -3.938 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.529 -3.262 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.526 -2.414 4.048 1.00 0.00 H new ATOM 559 N GLU A 36 -5.560 0.266 6.399 1.00 0.00 N ATOM 560 CA GLU A 36 -5.541 0.964 7.667 1.00 0.00 C ATOM 561 C GLU A 36 -4.824 0.103 8.703 1.00 0.00 C ATOM 562 O GLU A 36 -5.482 -0.703 9.357 1.00 0.00 O ATOM 563 CB GLU A 36 -6.993 1.199 8.089 1.00 0.00 C ATOM 564 CG GLU A 36 -7.823 1.704 6.910 1.00 0.00 C ATOM 565 CD GLU A 36 -9.263 1.964 7.316 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.966 0.976 7.612 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.634 3.155 7.325 1.00 0.00 O ATOM 0 H GLU A 36 -6.285 -0.449 6.344 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.016 1.916 7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.421 0.272 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.028 1.924 8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.382 2.621 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.797 0.970 6.104 1.00 0.00 H new ATOM 574 N LYS A 37 -3.510 0.273 8.869 1.00 0.00 N ATOM 575 CA LYS A 37 -2.644 -0.445 9.791 1.00 0.00 C ATOM 576 C LYS A 37 -3.145 -0.338 11.223 1.00 0.00 C ATOM 577 O LYS A 37 -2.714 0.558 11.949 1.00 0.00 O ATOM 578 CB LYS A 37 -1.286 0.229 9.678 1.00 0.00 C ATOM 579 CG LYS A 37 -0.519 -0.259 8.451 1.00 0.00 C ATOM 580 CD LYS A 37 0.245 -1.534 8.801 1.00 0.00 C ATOM 581 CE LYS A 37 1.089 -1.317 10.058 1.00 0.00 C ATOM 582 NZ LYS A 37 2.167 -0.340 9.833 1.00 0.00 N ATOM 0 H LYS A 37 -2.994 0.963 8.324 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.611 -1.506 9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.419 1.309 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.703 0.028 10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.210 -0.450 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.174 0.511 8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.455 -2.354 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.887 -1.822 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.449 -0.971 10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.520 -2.267 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.825 -0.357 10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.680 -0.583 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.759 0.612 9.740 1.00 0.00 H new ATOM 596 N ASP A 38 -4.082 -1.200 11.623 1.00 0.00 N ATOM 597 CA ASP A 38 -4.778 -1.061 12.893 1.00 0.00 C ATOM 598 C ASP A 38 -5.363 0.353 12.965 1.00 0.00 C ATOM 599 O ASP A 38 -5.452 0.940 14.041 1.00 0.00 O ATOM 600 CB ASP A 38 -3.822 -1.279 14.064 1.00 0.00 C ATOM 601 CG ASP A 38 -3.449 -2.742 14.275 1.00 0.00 C ATOM 602 OD1 ASP A 38 -2.874 -3.345 13.342 1.00 0.00 O ATOM 603 OD2 ASP A 38 -3.748 -3.239 15.381 1.00 0.00 O ATOM 0 H ASP A 38 -4.375 -2.009 11.075 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.568 -1.809 12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.914 -0.701 13.895 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.280 -0.893 14.975 1.00 0.00 H new ATOM 608 N GLY A 39 -5.702 0.936 11.809 1.00 0.00 N ATOM 609 CA GLY A 39 -6.135 2.316 11.783 1.00 0.00 C ATOM 610 C GLY A 39 -5.214 3.205 10.941 1.00 0.00 C ATOM 611 O GLY A 39 -5.673 4.207 10.399 1.00 0.00 O ATOM 0 H GLY A 39 -5.682 0.474 10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.148 2.368 11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.173 2.701 12.802 1.00 0.00 H new ATOM 615 N LYS A 40 -3.925 2.867 10.803 1.00 0.00 N ATOM 616 CA LYS A 40 -2.980 3.684 10.055 1.00 0.00 C ATOM 617 C LYS A 40 -3.210 3.442 8.568 1.00 0.00 C ATOM 618 O LYS A 40 -2.448 2.718 7.929 1.00 0.00 O ATOM 619 CB LYS A 40 -1.528 3.339 10.408 1.00 0.00 C ATOM 620 CG LYS A 40 -1.226 3.006 11.871 1.00 0.00 C ATOM 621 CD LYS A 40 -1.563 4.129 12.851 1.00 0.00 C ATOM 622 CE LYS A 40 -2.998 3.973 13.350 1.00 0.00 C ATOM 623 NZ LYS A 40 -3.192 2.665 14.002 1.00 0.00 N ATOM 0 H LYS A 40 -3.517 2.024 11.207 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.143 4.731 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.225 2.488 9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.900 4.181 10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.785 2.114 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.168 2.762 11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.872 4.107 13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.442 5.097 12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.231 4.772 14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.690 4.073 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.085 2.672 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.226 1.918 13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.402 2.481 14.653 1.00 0.00 H new ATOM 637 N LYS A 41 -4.301 3.980 8.036 1.00 0.00 N ATOM 638 CA LYS A 41 -4.685 3.739 6.663 1.00 0.00 C ATOM 639 C LYS A 41 -3.908 4.584 5.667 1.00 0.00 C ATOM 640 O LYS A 41 -3.638 5.764 5.879 1.00 0.00 O ATOM 641 CB LYS A 41 -6.169 4.031 6.516 1.00 0.00 C ATOM 642 CG LYS A 41 -6.663 3.829 5.083 1.00 0.00 C ATOM 643 CD LYS A 41 -7.728 4.867 4.759 1.00 0.00 C ATOM 644 CE LYS A 41 -7.032 5.995 4.006 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.232 6.866 4.886 1.00 0.00 N ATOM 0 H LYS A 41 -4.937 4.592 8.547 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.457 2.697 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.732 3.382 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.367 5.058 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.831 3.917 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.072 2.825 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.521 4.430 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.193 5.241 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.384 5.568 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.781 6.597 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.236 7.836 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.640 6.862 5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.254 6.515 4.926 1.00 0.00 H new ATOM 659 N VAL A 42 -3.642 3.958 4.529 1.00 0.00 N ATOM 660 CA VAL A 42 -2.966 4.555 3.393 1.00 0.00 C ATOM 661 C VAL A 42 -3.638 4.111 2.108 1.00 0.00 C ATOM 662 O VAL A 42 -4.499 3.239 2.136 1.00 0.00 O ATOM 663 CB VAL A 42 -1.512 4.100 3.414 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.477 2.572 3.481 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.724 4.624 2.219 1.00 0.00 C ATOM 0 H VAL A 42 -3.902 2.985 4.369 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.015 5.643 3.448 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.027 4.517 4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.441 2.232 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.983 2.236 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.982 2.158 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.306 4.272 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.177 4.261 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.736 5.714 2.225 1.00 0.00 H new ATOM 675 N ASN A 43 -3.258 4.718 0.984 1.00 0.00 N ATOM 676 CA ASN A 43 -3.720 4.309 -0.326 1.00 0.00 C ATOM 677 C ASN A 43 -3.045 2.983 -0.617 1.00 0.00 C ATOM 678 O ASN A 43 -1.881 2.930 -1.007 1.00 0.00 O ATOM 679 CB ASN A 43 -3.381 5.367 -1.373 1.00 0.00 C ATOM 680 CG ASN A 43 -3.734 4.913 -2.785 1.00 0.00 C ATOM 681 OD1 ASN A 43 -2.919 5.024 -3.694 1.00 0.00 O ATOM 682 ND2 ASN A 43 -4.937 4.392 -2.998 1.00 0.00 N ATOM 0 H ASN A 43 -2.617 5.511 0.965 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.804 4.198 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.918 6.287 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.317 5.598 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.198 4.075 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.600 4.309 -2.228 1.00 0.00 H new ATOM 689 N ALA A 44 -3.829 1.931 -0.418 1.00 0.00 N ATOM 690 CA ALA A 44 -3.446 0.537 -0.515 1.00 0.00 C ATOM 691 C ALA A 44 -2.667 0.250 -1.789 1.00 0.00 C ATOM 692 O ALA A 44 -1.603 -0.362 -1.758 1.00 0.00 O ATOM 693 CB ALA A 44 -4.730 -0.285 -0.557 1.00 0.00 C ATOM 0 H ALA A 44 -4.812 2.041 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.813 0.287 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.482 -1.344 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.305 -0.109 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.322 0.010 -1.423 1.00 0.00 H new ATOM 699 N LYS A 45 -3.213 0.723 -2.906 1.00 0.00 N ATOM 700 CA LYS A 45 -2.636 0.491 -4.218 1.00 0.00 C ATOM 701 C LYS A 45 -1.339 1.268 -4.441 1.00 0.00 C ATOM 702 O LYS A 45 -0.620 0.990 -5.398 1.00 0.00 O ATOM 703 CB LYS A 45 -3.660 0.854 -5.292 1.00 0.00 C ATOM 704 CG LYS A 45 -4.221 2.259 -5.069 1.00 0.00 C ATOM 705 CD LYS A 45 -4.786 2.808 -6.377 1.00 0.00 C ATOM 706 CE LYS A 45 -5.716 1.791 -7.041 1.00 0.00 C ATOM 707 NZ LYS A 45 -6.897 1.488 -6.213 1.00 0.00 N ATOM 0 H LYS A 45 -4.069 1.278 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.380 -0.567 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.194 0.797 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.474 0.129 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.002 2.232 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.437 2.918 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.331 3.732 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.969 3.056 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.042 2.177 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.165 0.871 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.727 1.360 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.728 0.616 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.071 2.275 -5.555 1.00 0.00 H new ATOM 721 N SER A 46 -1.055 2.256 -3.596 1.00 0.00 N ATOM 722 CA SER A 46 0.128 3.073 -3.769 1.00 0.00 C ATOM 723 C SER A 46 1.288 2.637 -2.876 1.00 0.00 C ATOM 724 O SER A 46 1.169 1.754 -2.027 1.00 0.00 O ATOM 725 CB SER A 46 -0.229 4.538 -3.519 1.00 0.00 C ATOM 726 OG SER A 46 0.821 5.382 -3.962 1.00 0.00 O ATOM 0 H SER A 46 -1.629 2.504 -2.790 1.00 0.00 H new ATOM 0 HA SER A 46 0.472 2.944 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.152 4.789 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.411 4.699 -2.456 1.00 0.00 H new ATOM 0 HG SER A 46 0.580 6.318 -3.798 1.00 0.00 H new ATOM 732 N ILE A 47 2.411 3.326 -3.066 1.00 0.00 N ATOM 733 CA ILE A 47 3.669 3.143 -2.359 1.00 0.00 C ATOM 734 C ILE A 47 3.479 3.144 -0.853 1.00 0.00 C ATOM 735 O ILE A 47 3.973 2.271 -0.155 1.00 0.00 O ATOM 736 CB ILE A 47 4.646 4.259 -2.734 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.999 3.922 -2.091 1.00 0.00 C ATOM 738 CG2 ILE A 47 4.101 5.617 -2.256 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.156 4.565 -0.714 1.00 0.00 C ATOM 0 H ILE A 47 2.467 4.071 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 47 4.067 2.173 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 47 4.770 4.333 -3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.097 2.840 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.804 4.261 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.802 6.406 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.138 5.809 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.976 5.598 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.128 4.300 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.085 5.649 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.367 4.206 -0.053 1.00 0.00 H new ATOM 751 N MET A 48 2.783 4.142 -0.326 1.00 0.00 N ATOM 752 CA MET A 48 2.626 4.226 1.103 1.00 0.00 C ATOM 753 C MET A 48 1.754 3.074 1.601 1.00 0.00 C ATOM 754 O MET A 48 1.778 2.748 2.786 1.00 0.00 O ATOM 755 CB MET A 48 2.117 5.618 1.449 1.00 0.00 C ATOM 756 CG MET A 48 1.923 5.753 2.959 1.00 0.00 C ATOM 757 SD MET A 48 1.198 7.324 3.477 1.00 0.00 S ATOM 758 CE MET A 48 2.370 8.437 2.672 1.00 0.00 C ATOM 0 H MET A 48 2.331 4.885 -0.859 1.00 0.00 H new ATOM 0 HA MET A 48 3.574 4.104 1.626 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.825 6.369 1.098 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.174 5.805 0.936 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.285 4.940 3.306 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.889 5.632 3.450 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.452 9.358 3.249 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.347 7.957 2.614 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.020 8.669 1.666 1.00 0.00 H new ATOM 768 N GLY A 49 0.973 2.449 0.721 1.00 0.00 N ATOM 769 CA GLY A 49 0.297 1.242 1.111 1.00 0.00 C ATOM 770 C GLY A 49 1.369 0.155 1.072 1.00 0.00 C ATOM 771 O GLY A 49 1.771 -0.318 2.125 1.00 0.00 O ATOM 0 H GLY A 49 0.804 2.757 -0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.133 1.336 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.523 1.012 0.430 1.00 0.00 H new ATOM 775 N LEU A 50 1.887 -0.179 -0.113 1.00 0.00 N ATOM 776 CA LEU A 50 2.913 -1.197 -0.319 1.00 0.00 C ATOM 777 C LEU A 50 4.074 -1.107 0.667 1.00 0.00 C ATOM 778 O LEU A 50 4.238 -1.928 1.562 1.00 0.00 O ATOM 779 CB LEU A 50 3.559 -0.988 -1.687 1.00 0.00 C ATOM 780 CG LEU A 50 3.908 -2.296 -2.404 1.00 0.00 C ATOM 781 CD1 LEU A 50 4.359 -3.375 -1.417 1.00 0.00 C ATOM 782 CD2 LEU A 50 2.708 -2.794 -3.201 1.00 0.00 C ATOM 0 H LEU A 50 1.592 0.268 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 50 2.399 -2.151 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.882 -0.408 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.466 -0.396 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 50 4.736 -2.091 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.598 -4.289 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.243 -3.030 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.558 -3.576 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.968 -3.724 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.870 -2.969 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.427 -2.045 -3.941 1.00 0.00 H new ATOM 794 N MET A 51 4.921 -0.113 0.419 1.00 0.00 N ATOM 795 CA MET A 51 6.155 0.138 1.109 1.00 0.00 C ATOM 796 C MET A 51 5.897 0.497 2.565 1.00 0.00 C ATOM 797 O MET A 51 6.647 0.091 3.447 1.00 0.00 O ATOM 798 CB MET A 51 6.848 1.323 0.431 1.00 0.00 C ATOM 799 CG MET A 51 8.267 1.468 0.972 1.00 0.00 C ATOM 800 SD MET A 51 8.967 3.112 0.743 1.00 0.00 S ATOM 801 CE MET A 51 7.843 4.026 1.816 1.00 0.00 C ATOM 0 H MET A 51 4.742 0.572 -0.315 1.00 0.00 H new ATOM 0 HA MET A 51 6.774 -0.759 1.073 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.874 1.173 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.284 2.238 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.267 1.228 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.910 0.738 0.480 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.647 5.008 1.386 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.905 3.478 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.296 4.145 2.800 1.00 0.00 H new ATOM 811 N SER A 52 4.903 1.352 2.793 1.00 0.00 N ATOM 812 CA SER A 52 4.653 1.837 4.142 1.00 0.00 C ATOM 813 C SER A 52 3.808 0.918 5.026 1.00 0.00 C ATOM 814 O SER A 52 4.330 0.231 5.900 1.00 0.00 O ATOM 815 CB SER A 52 4.093 3.259 4.110 1.00 0.00 C ATOM 816 OG SER A 52 4.852 4.073 3.233 1.00 0.00 O ATOM 0 H SER A 52 4.272 1.715 2.078 1.00 0.00 H new ATOM 0 HA SER A 52 5.630 1.842 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.052 3.239 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.107 3.684 5.114 1.00 0.00 H new ATOM 0 HG SER A 52 4.964 4.963 3.628 1.00 0.00 H new ATOM 822 N LEU A 53 2.486 0.953 4.860 1.00 0.00 N ATOM 823 CA LEU A 53 1.580 0.279 5.779 1.00 0.00 C ATOM 824 C LEU A 53 1.439 -1.207 5.524 1.00 0.00 C ATOM 825 O LEU A 53 1.743 -2.034 6.382 1.00 0.00 O ATOM 826 CB LEU A 53 0.221 0.979 5.758 1.00 0.00 C ATOM 827 CG LEU A 53 0.355 2.354 6.411 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.493 2.266 7.415 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.719 3.434 5.398 1.00 0.00 C ATOM 0 H LEU A 53 2.022 1.443 4.095 1.00 0.00 H new ATOM 0 HA LEU A 53 2.020 0.353 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.132 1.083 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.518 0.381 6.290 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.599 2.618 6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.622 3.231 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.261 1.508 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.414 1.996 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.804 4.395 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.671 3.186 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.057 3.494 4.635 1.00 0.00 H new ATOM 841 N ALA A 54 0.955 -1.515 4.331 1.00 0.00 N ATOM 842 CA ALA A 54 0.685 -2.841 3.809 1.00 0.00 C ATOM 843 C ALA A 54 1.902 -3.770 3.887 1.00 0.00 C ATOM 844 O ALA A 54 1.741 -4.985 3.910 1.00 0.00 O ATOM 845 CB ALA A 54 0.142 -2.684 2.387 1.00 0.00 C ATOM 0 H ALA A 54 0.724 -0.788 3.653 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.064 -3.333 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.071 -3.668 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.774 -2.094 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.883 -2.179 1.768 1.00 0.00 H new ATOM 851 N VAL A 55 3.119 -3.233 3.954 1.00 0.00 N ATOM 852 CA VAL A 55 4.316 -4.044 4.126 1.00 0.00 C ATOM 853 C VAL A 55 4.412 -4.629 5.542 1.00 0.00 C ATOM 854 O VAL A 55 5.211 -5.524 5.809 1.00 0.00 O ATOM 855 CB VAL A 55 5.549 -3.195 3.812 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.803 -2.190 4.934 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.773 -4.092 3.649 1.00 0.00 C ATOM 0 H VAL A 55 3.299 -2.231 3.891 1.00 0.00 H new ATOM 0 HA VAL A 55 4.262 -4.886 3.436 1.00 0.00 H new ATOM 0 HB VAL A 55 5.368 -2.654 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.684 -1.593 4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.938 -1.535 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.969 -2.724 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.646 -3.479 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.944 -4.645 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.604 -4.794 2.832 1.00 0.00 H new ATOM 867 N SER A 56 3.602 -4.146 6.481 1.00 0.00 N ATOM 868 CA SER A 56 3.736 -4.568 7.859 1.00 0.00 C ATOM 869 C SER A 56 3.043 -5.895 8.146 1.00 0.00 C ATOM 870 O SER A 56 2.008 -5.925 8.815 1.00 0.00 O ATOM 871 CB SER A 56 3.242 -3.458 8.786 1.00 0.00 C ATOM 872 OG SER A 56 3.714 -2.201 8.339 1.00 0.00 O ATOM 0 H SER A 56 2.857 -3.471 6.309 1.00 0.00 H new ATOM 0 HA SER A 56 4.794 -4.747 8.050 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.152 -3.456 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.587 -3.643 9.803 1.00 0.00 H new ATOM 0 HG SER A 56 3.157 -1.888 7.596 1.00 0.00 H new ATOM 878 N THR A 57 3.629 -6.985 7.653 1.00 0.00 N ATOM 879 CA THR A 57 3.162 -8.336 7.893 1.00 0.00 C ATOM 880 C THR A 57 2.830 -8.570 9.368 1.00 0.00 C ATOM 881 O THR A 57 3.704 -8.508 10.230 1.00 0.00 O ATOM 882 CB THR A 57 4.213 -9.329 7.400 1.00 0.00 C ATOM 883 OG1 THR A 57 4.878 -8.799 6.271 1.00 0.00 O ATOM 884 CG2 THR A 57 3.503 -10.622 7.016 1.00 0.00 C ATOM 0 H THR A 57 4.460 -6.945 7.063 1.00 0.00 H new ATOM 0 HA THR A 57 2.236 -8.487 7.338 1.00 0.00 H new ATOM 0 HB THR A 57 4.948 -9.519 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.990 -9.502 5.597 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.235 -11.347 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.986 -11.025 7.887 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.780 -10.419 6.226 1.00 0.00 H new ATOM 892 N GLY A 58 1.555 -8.830 9.653 1.00 0.00 N ATOM 893 CA GLY A 58 1.049 -9.064 10.995 1.00 0.00 C ATOM 894 C GLY A 58 0.227 -7.892 11.518 1.00 0.00 C ATOM 895 O GLY A 58 -0.375 -8.000 12.583 1.00 0.00 O ATOM 0 H GLY A 58 0.831 -8.884 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.435 -9.965 10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.886 -9.247 11.669 1.00 0.00 H new ATOM 899 N THR A 59 0.155 -6.777 10.790 1.00 0.00 N ATOM 900 CA THR A 59 -0.650 -5.667 11.261 1.00 0.00 C ATOM 901 C THR A 59 -2.090 -5.936 10.851 1.00 0.00 C ATOM 902 O THR A 59 -2.334 -6.292 9.698 1.00 0.00 O ATOM 903 CB THR A 59 -0.165 -4.348 10.657 1.00 0.00 C ATOM 904 OG1 THR A 59 1.234 -4.219 10.775 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.816 -3.183 11.392 1.00 0.00 C ATOM 0 H THR A 59 0.631 -6.627 9.900 1.00 0.00 H new ATOM 0 HA THR A 59 -0.569 -5.579 12.344 1.00 0.00 H new ATOM 0 HB THR A 59 -0.437 -4.341 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.673 -4.895 10.218 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.471 -2.243 10.962 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.899 -3.251 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.544 -3.221 12.447 1.00 0.00 H new ATOM 913 N GLU A 60 -3.044 -5.780 11.769 1.00 0.00 N ATOM 914 CA GLU A 60 -4.440 -5.949 11.411 1.00 0.00 C ATOM 915 C GLU A 60 -4.888 -4.652 10.743 1.00 0.00 C ATOM 916 O GLU A 60 -5.413 -3.726 11.360 1.00 0.00 O ATOM 917 CB GLU A 60 -5.272 -6.375 12.619 1.00 0.00 C ATOM 918 CG GLU A 60 -5.238 -5.332 13.733 1.00 0.00 C ATOM 919 CD GLU A 60 -6.049 -5.787 14.933 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.601 -6.755 15.584 1.00 0.00 O ATOM 921 OE2 GLU A 60 -7.103 -5.160 15.172 1.00 0.00 O ATOM 0 H GLU A 60 -2.875 -5.541 12.746 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.587 -6.763 10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.304 -6.540 12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.898 -7.325 13.000 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.206 -5.151 14.035 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.632 -4.386 13.362 1.00 0.00 H new ATOM 928 N VAL A 61 -4.594 -4.566 9.455 1.00 0.00 N ATOM 929 CA VAL A 61 -4.855 -3.386 8.668 1.00 0.00 C ATOM 930 C VAL A 61 -6.125 -3.564 7.849 1.00 0.00 C ATOM 931 O VAL A 61 -6.333 -4.595 7.210 1.00 0.00 O ATOM 932 CB VAL A 61 -3.628 -3.068 7.815 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.364 -3.123 8.664 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.421 -4.120 6.742 1.00 0.00 C ATOM 0 H VAL A 61 -4.163 -5.325 8.928 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.031 -2.529 9.318 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.800 -2.081 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.498 -2.894 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.435 -2.393 9.470 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.253 -4.121 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.541 -3.868 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.277 -5.094 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.296 -4.155 6.093 1.00 0.00 H new ATOM 944 N THR A 62 -6.995 -2.563 7.883 1.00 0.00 N ATOM 945 CA THR A 62 -8.258 -2.631 7.173 1.00 0.00 C ATOM 946 C THR A 62 -8.059 -2.284 5.709 1.00 0.00 C ATOM 947 O THR A 62 -7.704 -1.154 5.382 1.00 0.00 O ATOM 948 CB THR A 62 -9.269 -1.687 7.811 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.079 -1.634 9.208 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.688 -2.172 7.520 1.00 0.00 C ATOM 0 H THR A 62 -6.845 -1.695 8.397 1.00 0.00 H new ATOM 0 HA THR A 62 -8.642 -3.649 7.237 1.00 0.00 H new ATOM 0 HB THR A 62 -9.125 -0.692 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.734 -1.022 9.604 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.406 -1.493 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.850 -2.197 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.822 -3.173 7.931 1.00 0.00 H new ATOM 958 N LEU A 63 -8.271 -3.249 4.824 1.00 0.00 N ATOM 959 CA LEU A 63 -8.160 -2.995 3.411 1.00 0.00 C ATOM 960 C LEU A 63 -9.440 -2.319 2.951 1.00 0.00 C ATOM 961 O LEU A 63 -10.536 -2.872 3.042 1.00 0.00 O ATOM 962 CB LEU A 63 -7.848 -4.281 2.661 1.00 0.00 C ATOM 963 CG LEU A 63 -7.230 -3.919 1.317 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.469 -5.139 0.819 1.00 0.00 C ATOM 965 CD2 LEU A 63 -8.310 -3.522 0.313 1.00 0.00 C ATOM 0 H LEU A 63 -8.519 -4.208 5.067 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.329 -2.324 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.162 -4.900 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.757 -4.864 2.515 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.560 -3.067 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.012 -4.914 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.692 -5.401 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.157 -5.977 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.845 -3.268 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.998 -4.355 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.859 -2.659 0.691 1.00 0.00 H new ATOM 977 N ILE A 64 -9.280 -1.080 2.515 1.00 0.00 N ATOM 978 CA ILE A 64 -10.343 -0.234 2.047 1.00 0.00 C ATOM 979 C ILE A 64 -10.390 -0.246 0.536 1.00 0.00 C ATOM 980 O ILE A 64 -9.386 -0.429 -0.148 1.00 0.00 O ATOM 981 CB ILE A 64 -10.073 1.206 2.490 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.118 1.344 4.005 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.107 2.162 1.901 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.954 2.820 4.347 1.00 0.00 C ATOM 0 H ILE A 64 -8.367 -0.627 2.480 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.285 -0.600 2.456 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.076 1.459 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.063 0.965 4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.324 0.755 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.892 3.178 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.065 2.118 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.103 1.874 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.983 2.948 5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.998 3.178 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.764 3.391 3.893 1.00 0.00 H new ATOM 996 N ALA A 65 -11.580 0.010 0.028 1.00 0.00 N ATOM 997 CA ALA A 65 -11.810 0.293 -1.350 1.00 0.00 C ATOM 998 C ALA A 65 -12.874 1.361 -1.283 1.00 0.00 C ATOM 999 O ALA A 65 -13.975 1.124 -0.789 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.262 -0.947 -2.096 1.00 0.00 C ATOM 0 H ALA A 65 -12.430 0.024 0.591 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.924 0.618 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.430 -0.700 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.493 -1.716 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.189 -1.318 -1.658 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.499 2.573 -1.657 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.431 3.663 -1.671 1.00 0.00 C ATOM 1008 C GLN A 66 -13.670 4.026 -3.121 1.00 0.00 C ATOM 1009 O GLN A 66 -13.314 5.113 -3.578 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.864 4.812 -0.842 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.925 5.899 -0.784 1.00 0.00 C ATOM 1012 CD GLN A 66 -13.334 7.297 -0.822 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.652 8.059 -1.731 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.484 7.654 0.132 1.00 0.00 N ATOM 0 H GLN A 66 -11.554 2.816 -1.953 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.390 3.405 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.608 4.471 0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.948 5.194 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.611 5.776 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.511 5.781 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.242 6.995 0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.072 8.587 0.125 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.199 3.077 -3.879 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.400 3.265 -5.295 1.00 0.00 C ATOM 1025 C GLY A 67 -15.627 2.561 -5.834 1.00 0.00 C ATOM 1026 O GLY A 67 -16.471 2.059 -5.093 1.00 0.00 O ATOM 0 H GLY A 67 -14.496 2.167 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.483 4.332 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.521 2.904 -5.829 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.646 2.488 -7.163 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.638 1.840 -7.990 1.00 0.00 C ATOM 1032 C GLU A 68 -17.050 0.490 -7.413 1.00 0.00 C ATOM 1033 O GLU A 68 -18.231 0.163 -7.361 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.043 1.657 -9.396 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.050 0.492 -9.464 1.00 0.00 C ATOM 1036 CD GLU A 68 -14.980 -0.138 -10.845 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -15.985 -0.036 -11.580 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -13.903 -0.704 -11.128 1.00 0.00 O ATOM 0 H GLU A 68 -14.909 2.915 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.534 2.460 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -16.849 1.485 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.541 2.576 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.059 0.847 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.337 -0.267 -8.737 1.00 0.00 H new ATOM 1045 N ASP A 69 -16.060 -0.320 -7.031 1.00 0.00 N ATOM 1046 CA ASP A 69 -16.340 -1.641 -6.524 1.00 0.00 C ATOM 1047 C ASP A 69 -15.974 -1.730 -5.074 1.00 0.00 C ATOM 1048 O ASP A 69 -15.678 -2.842 -4.664 1.00 0.00 O ATOM 1049 CB ASP A 69 -15.564 -2.715 -7.291 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.171 -2.274 -7.727 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -13.513 -1.540 -6.954 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.787 -2.661 -8.851 1.00 0.00 O ATOM 0 H ASP A 69 -15.070 -0.076 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 69 -17.408 -1.816 -6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.475 -3.602 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.136 -3.004 -8.173 1.00 0.00 H new ATOM 1057 N GLU A 70 -16.062 -0.633 -4.313 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.525 -0.532 -2.979 1.00 0.00 C ATOM 1059 C GLU A 70 -15.635 -1.838 -2.213 1.00 0.00 C ATOM 1060 O GLU A 70 -14.617 -2.510 -2.079 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.164 0.671 -2.278 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.689 0.707 -2.273 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.243 0.458 -0.880 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.056 1.344 -0.021 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.834 -0.629 -0.706 1.00 0.00 O ATOM 0 H GLU A 70 -16.522 0.221 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.451 -0.351 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.816 0.692 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.800 1.581 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.033 1.676 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.075 -0.046 -2.960 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.835 -2.249 -1.805 1.00 0.00 N ATOM 1073 CA GLN A 71 -17.029 -3.471 -1.054 1.00 0.00 C ATOM 1074 C GLN A 71 -16.278 -4.664 -1.645 1.00 0.00 C ATOM 1075 O GLN A 71 -15.539 -5.304 -0.900 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.525 -3.748 -0.897 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.774 -4.914 0.063 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.134 -4.684 1.425 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.767 -4.175 2.345 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -16.864 -5.046 1.569 1.00 0.00 N ATOM 0 H GLN A 71 -17.697 -1.737 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.594 -3.326 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.026 -2.854 -0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.960 -3.976 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.847 -5.057 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.378 -5.832 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.362 -5.467 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.391 -4.903 2.461 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.437 -4.958 -2.942 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.764 -6.088 -3.574 1.00 0.00 C ATOM 1091 C GLU A 72 -14.256 -5.905 -3.525 1.00 0.00 C ATOM 1092 O GLU A 72 -13.517 -6.838 -3.217 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.208 -6.202 -5.035 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.227 -7.075 -5.833 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.708 -7.287 -7.258 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.754 -7.955 -7.412 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -15.019 -6.769 -8.163 1.00 0.00 O ATOM 0 H GLU A 72 -17.032 -4.421 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.031 -6.996 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.208 -6.632 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.266 -5.209 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.245 -6.603 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.111 -8.040 -5.339 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.823 -4.697 -3.868 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.451 -4.301 -3.960 1.00 0.00 C ATOM 1106 C ALA A 73 -11.740 -4.607 -2.651 1.00 0.00 C ATOM 1107 O ALA A 73 -10.816 -5.419 -2.576 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.507 -2.811 -4.256 1.00 0.00 C ATOM 0 H ALA A 73 -14.465 -3.939 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.893 -4.832 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.494 -2.419 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.042 -2.646 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.025 -2.298 -3.446 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.230 -3.954 -1.606 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.694 -4.051 -0.274 1.00 0.00 C ATOM 1116 C LEU A 74 -11.862 -5.452 0.301 1.00 0.00 C ATOM 1117 O LEU A 74 -10.926 -5.958 0.911 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.337 -2.949 0.556 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.843 -3.127 0.659 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.201 -3.657 2.037 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.475 -1.758 0.446 1.00 0.00 C ATOM 0 H LEU A 74 -13.033 -3.328 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.615 -3.898 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.902 -2.946 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.115 -1.980 0.109 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.205 -3.837 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.281 -3.784 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.711 -4.618 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -13.868 -2.950 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.560 -1.844 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.118 -1.069 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.201 -1.380 -0.539 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.009 -6.109 0.090 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.200 -7.452 0.615 1.00 0.00 C ATOM 1135 C GLU A 75 -12.243 -8.450 -0.032 1.00 0.00 C ATOM 1136 O GLU A 75 -11.554 -9.175 0.684 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.657 -7.906 0.484 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.082 -7.974 -0.982 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.584 -8.154 -1.141 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.321 -7.635 -0.274 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.966 -8.783 -2.151 1.00 0.00 O ATOM 0 H GLU A 75 -13.802 -5.735 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.964 -7.419 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.779 -8.885 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.306 -7.216 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.772 -7.061 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.566 -8.801 -1.469 1.00 0.00 H new ATOM 1148 N LYS A 76 -12.174 -8.498 -1.368 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.306 -9.479 -1.998 1.00 0.00 C ATOM 1150 C LYS A 76 -9.852 -9.173 -1.666 1.00 0.00 C ATOM 1151 O LYS A 76 -9.079 -10.078 -1.372 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.588 -9.621 -3.499 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.597 -8.888 -4.404 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.709 -9.461 -5.818 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.701 -8.783 -6.751 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.772 -9.336 -8.113 1.00 0.00 N ATOM 0 H LYS A 76 -12.690 -7.892 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.525 -10.464 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.582 -10.680 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.592 -9.248 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.811 -7.819 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.581 -9.007 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.529 -10.536 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.720 -9.315 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.896 -7.711 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.693 -8.913 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.871 -9.167 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.953 -10.359 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.543 -8.873 -8.636 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.489 -7.892 -1.690 1.00 0.00 N ATOM 1171 CA LEU A 77 -8.160 -7.443 -1.356 1.00 0.00 C ATOM 1172 C LEU A 77 -7.762 -7.830 0.065 1.00 0.00 C ATOM 1173 O LEU A 77 -6.726 -8.463 0.263 1.00 0.00 O ATOM 1174 CB LEU A 77 -8.160 -5.939 -1.564 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.334 -5.621 -2.797 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.902 -5.624 -2.316 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.455 -6.712 -3.857 1.00 0.00 C ATOM 0 H LEU A 77 -10.125 -7.137 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.415 -7.923 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.180 -5.574 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.745 -5.436 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.663 -4.681 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.237 -5.401 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.777 -4.868 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.657 -6.605 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.849 -6.446 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.105 -7.659 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.497 -6.811 -4.160 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.568 -7.442 1.055 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.309 -7.767 2.448 1.00 0.00 C ATOM 1191 C ALA A 78 -8.354 -9.273 2.661 1.00 0.00 C ATOM 1192 O ALA A 78 -7.670 -9.789 3.542 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.312 -7.067 3.350 1.00 0.00 C ATOM 0 H ALA A 78 -9.416 -6.895 0.908 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.310 -7.415 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.105 -7.320 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.231 -5.988 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.321 -7.390 3.092 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.158 -9.991 1.879 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.124 -11.435 1.925 1.00 0.00 C ATOM 1201 C ALA A 79 -7.714 -11.853 1.521 1.00 0.00 C ATOM 1202 O ALA A 79 -6.992 -12.456 2.311 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.161 -11.995 0.955 1.00 0.00 C ATOM 0 H ALA A 79 -9.828 -9.596 1.219 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.360 -11.817 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.138 -13.084 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.153 -11.644 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.934 -11.657 -0.056 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.310 -11.441 0.315 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.030 -11.738 -0.306 1.00 0.00 C ATOM 1211 C TYR A 80 -4.864 -11.554 0.660 1.00 0.00 C ATOM 1212 O TYR A 80 -4.149 -12.505 0.983 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.882 -10.811 -1.514 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.580 -10.994 -2.250 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.252 -12.260 -2.765 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.610 -9.975 -2.217 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.944 -12.518 -3.205 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.301 -10.239 -2.653 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.962 -11.521 -3.113 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.663 -11.812 -3.403 1.00 0.00 O ATOM 0 H TYR A 80 -7.903 -10.862 -0.279 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.008 -12.784 -0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.708 -10.988 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.961 -9.776 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.004 -13.033 -2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.872 -8.991 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.694 -13.485 -3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.557 -9.457 -2.634 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.508 -12.772 -3.281 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.704 -10.315 1.122 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.643 -9.878 2.016 1.00 0.00 C ATOM 1232 C VAL A 81 -3.478 -10.764 3.243 1.00 0.00 C ATOM 1233 O VAL A 81 -2.378 -10.893 3.776 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.957 -8.464 2.486 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.127 -7.570 1.274 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.270 -8.481 3.254 1.00 0.00 C ATOM 0 H VAL A 81 -5.340 -9.559 0.870 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.711 -9.930 1.453 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.150 -8.097 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.352 -6.554 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.206 -7.568 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.945 -7.943 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.505 -7.473 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.068 -8.839 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.180 -9.144 4.115 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.563 -11.344 3.739 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.458 -12.141 4.930 1.00 0.00 C ATOM 1248 C GLN A 82 -4.797 -13.602 4.634 1.00 0.00 C ATOM 1249 O GLN A 82 -5.109 -14.356 5.552 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.414 -11.533 5.948 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.859 -11.858 5.595 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.777 -11.209 6.618 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.752 -11.546 7.796 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.524 -10.209 6.179 1.00 0.00 N ATOM 0 H GLN A 82 -5.499 -11.275 3.339 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.440 -12.139 5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.183 -11.914 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.277 -10.452 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.093 -11.494 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.010 -12.937 5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.515 -9.962 5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.109 -9.685 6.830 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.723 -14.029 3.370 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.208 -15.357 3.052 1.00 0.00 C ATOM 1265 C GLU A 83 -4.164 -16.307 2.471 1.00 0.00 C ATOM 1266 O GLU A 83 -4.237 -17.511 2.704 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.422 -15.198 2.143 1.00 0.00 C ATOM 1268 CG GLU A 83 -5.991 -14.880 0.710 1.00 0.00 C ATOM 1269 CD GLU A 83 -7.177 -14.674 -0.222 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -8.324 -14.770 0.268 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.906 -14.403 -1.412 1.00 0.00 O ATOM 0 H GLU A 83 -4.347 -13.495 2.587 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.482 -15.848 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.013 -16.114 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.062 -14.401 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.373 -13.982 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.372 -15.693 0.331 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.183 -15.806 1.718 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.188 -16.675 1.142 1.00 0.00 C ATOM 1280 C GLU A 84 -0.858 -16.296 1.775 1.00 0.00 C ATOM 1281 O GLU A 84 -0.333 -15.212 1.557 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.190 -16.559 -0.380 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.675 -15.179 -0.753 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.373 -15.060 -2.237 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -2.149 -15.639 -3.025 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -0.388 -14.366 -2.565 1.00 0.00 O ATOM 0 H GLU A 84 -3.067 -14.816 1.502 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.395 -17.725 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.560 -17.332 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.197 -16.707 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.415 -14.429 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.772 -14.964 -0.182 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.378 -17.172 2.639 1.00 0.00 N ATOM 1294 CA VAL A 85 0.855 -17.020 3.400 1.00 0.00 C ATOM 1295 C VAL A 85 2.000 -16.611 2.477 1.00 0.00 C ATOM 1296 O VAL A 85 2.422 -17.398 1.574 1.00 0.00 O ATOM 1297 CB VAL A 85 1.208 -18.348 4.180 1.00 0.00 C ATOM 1298 CG1 VAL A 85 0.229 -18.764 5.313 1.00 0.00 C ATOM 1299 CG2 VAL A 85 1.333 -19.595 3.271 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.538 -15.468 2.613 1.00 0.00 O ATOM 0 H VAL A 85 -0.857 -18.050 2.840 1.00 0.00 H new ATOM 0 HA VAL A 85 0.707 -16.231 4.138 1.00 0.00 H new ATOM 0 HB VAL A 85 2.165 -18.060 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.577 -19.689 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.189 -17.977 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.766 -18.918 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.577 -20.466 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.388 -19.766 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.123 -19.433 2.537 1.00 0.00 H new TER 1310 VAL A 85