USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 59 SER OG : rot -86:sc= 0.047 USER MOD Set 1.2: A 74 CYS SG : rot -148:sc= -0.164 USER MOD Single : A 4 LYS NZ :NH3+ 144:sc= 1.24 (180deg=0.962) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.121 USER MOD Single : A 11 THR OG1 : rot 167:sc= 1.22 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 17 SER OG : rot -40:sc= 0.0117 USER MOD Single : A 20 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.65) USER MOD Single : A 21 GLN : amide:sc= -0.0397 X(o=-0.04,f=-0.37) USER MOD Single : A 26 SER OG : rot 1:sc= 0.585 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0293 K(o=-0.029,f=-0.68) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.357 USER MOD Single : A 36 GLN : amide:sc= 0.332 K(o=0.33,f=-0.76) USER MOD Single : A 38 HIS : +bothHN:sc= -1.76 K(o=-1.8,f=-5.2!) USER MOD Single : A 39 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.71) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -165:sc= -0.7 (180deg=-1.97) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 169:sc= 0 (180deg=-0.145) USER MOD Single : A 65 GLN : amide:sc= 0.196 K(o=0.2,f=-8.2!) USER MOD Single : A 71 ASN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 77 MET CE :methyl 179:sc= 0 (180deg=-0.00435) USER MOD Single : A 80 ASN : amide:sc= 0.915 K(o=0.91,f=-0.43) USER MOD Single : A 83 THR OG1 : rot 11:sc= 1.16 USER MOD Single : A 85 GLN :FLIP amide:sc= -3.97! C(o=-6.9!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -16.557 -0.844 3.386 1.00 0.00 N ATOM 38 CA LYS A 4 -16.586 0.604 3.649 1.00 0.00 C ATOM 39 C LYS A 4 -16.214 1.434 2.427 1.00 0.00 C ATOM 40 O LYS A 4 -16.446 2.644 2.403 1.00 0.00 O ATOM 41 CB LYS A 4 -15.610 0.952 4.788 1.00 0.00 C ATOM 42 CG LYS A 4 -14.141 0.602 4.462 1.00 0.00 C ATOM 43 CD LYS A 4 -13.182 1.039 5.565 1.00 0.00 C ATOM 44 CE LYS A 4 -13.000 2.567 5.625 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.661 2.998 6.992 1.00 0.00 N ATOM 0 HA LYS A 4 -17.612 0.847 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.683 2.017 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.911 0.420 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.051 -0.474 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.855 1.080 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.554 0.684 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.212 0.568 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.212 2.872 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.916 3.060 5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.990 3.791 6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.525 3.302 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.229 2.206 7.509 1.00 0.00 H new ATOM 59 N MET A 5 -15.567 0.800 1.457 1.00 0.00 N ATOM 60 CA MET A 5 -15.109 1.376 0.207 1.00 0.00 C ATOM 61 C MET A 5 -15.118 0.214 -0.799 1.00 0.00 C ATOM 62 O MET A 5 -14.153 0.014 -1.536 1.00 0.00 O ATOM 63 CB MET A 5 -13.724 2.037 0.447 1.00 0.00 C ATOM 64 CG MET A 5 -13.654 3.483 -0.055 1.00 0.00 C ATOM 65 SD MET A 5 -13.132 3.650 -1.779 1.00 0.00 S ATOM 66 CE MET A 5 -13.093 5.453 -1.934 1.00 0.00 C ATOM 0 H MET A 5 -15.336 -0.191 1.531 1.00 0.00 H new ATOM 0 HA MET A 5 -15.735 2.175 -0.190 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.498 2.017 1.513 1.00 0.00 H new ATOM 0 HB3 MET A 5 -12.955 1.448 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 5 -14.635 3.943 0.061 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.963 4.041 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 5 -12.788 5.725 -2.944 1.00 0.00 H new ATOM 0 HE2 MET A 5 -14.085 5.857 -1.734 1.00 0.00 H new ATOM 0 HE3 MET A 5 -12.382 5.865 -1.217 1.00 0.00 H new ATOM 76 N SER A 6 -16.105 -0.685 -0.699 1.00 0.00 N ATOM 77 CA SER A 6 -16.007 -2.047 -1.218 1.00 0.00 C ATOM 78 C SER A 6 -16.053 -2.130 -2.743 1.00 0.00 C ATOM 79 O SER A 6 -15.342 -2.942 -3.340 1.00 0.00 O ATOM 80 CB SER A 6 -16.999 -2.962 -0.502 1.00 0.00 C ATOM 81 OG SER A 6 -18.224 -2.339 -0.137 1.00 0.00 O ATOM 0 H SER A 6 -16.999 -0.482 -0.252 1.00 0.00 H new ATOM 0 HA SER A 6 -15.010 -2.420 -0.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.218 -3.813 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.525 -3.356 0.397 1.00 0.00 H new ATOM 0 HG SER A 6 -18.801 -2.991 0.313 1.00 0.00 H new ATOM 87 N ASP A 7 -16.842 -1.278 -3.383 1.00 0.00 N ATOM 88 CA ASP A 7 -16.838 -1.032 -4.811 1.00 0.00 C ATOM 89 C ASP A 7 -17.362 0.385 -5.002 1.00 0.00 C ATOM 90 O ASP A 7 -18.505 0.719 -4.688 1.00 0.00 O ATOM 91 CB ASP A 7 -17.585 -2.095 -5.621 1.00 0.00 C ATOM 92 CG ASP A 7 -19.102 -2.096 -5.496 1.00 0.00 C ATOM 93 OD1 ASP A 7 -19.629 -2.309 -4.379 1.00 0.00 O ATOM 94 OD2 ASP A 7 -19.767 -2.030 -6.553 1.00 0.00 O ATOM 0 H ASP A 7 -17.535 -0.714 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 7 -15.828 -1.112 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.329 -1.967 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -17.216 -3.076 -5.320 1.00 0.00 H new ATOM 99 N VAL A 8 -16.447 1.253 -5.413 1.00 0.00 N ATOM 100 CA VAL A 8 -16.553 2.710 -5.505 1.00 0.00 C ATOM 101 C VAL A 8 -15.865 3.123 -6.816 1.00 0.00 C ATOM 102 O VAL A 8 -15.502 4.276 -7.015 1.00 0.00 O ATOM 103 CB VAL A 8 -15.928 3.371 -4.245 1.00 0.00 C ATOM 104 CG1 VAL A 8 -16.398 4.809 -3.990 1.00 0.00 C ATOM 105 CG2 VAL A 8 -16.245 2.578 -2.969 1.00 0.00 C ATOM 0 H VAL A 8 -15.529 0.930 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.589 3.049 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.860 3.376 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.915 5.196 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.134 5.435 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.479 4.819 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.790 3.073 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.325 2.529 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.845 1.568 -3.059 1.00 0.00 H new ATOM 115 N LYS A 9 -15.677 2.127 -7.694 1.00 0.00 N ATOM 116 CA LYS A 9 -15.106 2.172 -9.033 1.00 0.00 C ATOM 117 C LYS A 9 -13.661 2.648 -8.942 1.00 0.00 C ATOM 118 O LYS A 9 -13.424 3.849 -8.859 1.00 0.00 O ATOM 119 CB LYS A 9 -15.980 3.036 -9.954 1.00 0.00 C ATOM 120 CG LYS A 9 -17.399 2.457 -10.054 1.00 0.00 C ATOM 121 CD LYS A 9 -17.586 1.578 -11.296 1.00 0.00 C ATOM 122 CE LYS A 9 -18.838 0.733 -11.072 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.145 -0.137 -12.224 1.00 0.00 N ATOM 0 H LYS A 9 -15.952 1.175 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.091 1.178 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.024 4.056 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.532 3.087 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.612 1.869 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.121 3.274 -10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.693 2.193 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.715 0.941 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.703 0.118 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.686 1.390 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.003 -0.690 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.301 0.448 -13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.348 -0.784 -12.393 1.00 0.00 H new ATOM 137 N CYS A 10 -12.717 1.706 -8.844 1.00 0.00 N ATOM 138 CA CYS A 10 -11.251 1.851 -8.810 1.00 0.00 C ATOM 139 C CYS A 10 -10.639 1.701 -7.407 1.00 0.00 C ATOM 140 O CYS A 10 -9.428 1.519 -7.314 1.00 0.00 O ATOM 141 CB CYS A 10 -10.716 3.124 -9.490 1.00 0.00 C ATOM 142 SG CYS A 10 -11.217 3.139 -11.238 1.00 0.00 S ATOM 0 H CYS A 10 -12.983 0.724 -8.780 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.917 1.005 -9.410 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.102 4.009 -8.983 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.629 3.161 -9.412 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.766 4.216 -11.809 1.00 0.00 H new ATOM 148 N THR A 11 -11.437 1.688 -6.337 1.00 0.00 N ATOM 149 CA THR A 11 -11.013 1.488 -4.944 1.00 0.00 C ATOM 150 C THR A 11 -9.876 0.456 -4.810 1.00 0.00 C ATOM 151 O THR A 11 -8.772 0.755 -4.325 1.00 0.00 O ATOM 152 CB THR A 11 -12.259 1.153 -4.094 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.888 0.767 -2.791 1.00 0.00 O ATOM 154 CG2 THR A 11 -13.172 0.049 -4.656 1.00 0.00 C ATOM 0 H THR A 11 -12.445 1.823 -6.419 1.00 0.00 H new ATOM 0 HA THR A 11 -10.574 2.410 -4.562 1.00 0.00 H new ATOM 0 HB THR A 11 -12.830 2.081 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.680 0.763 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.014 -0.105 -3.981 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.542 0.347 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.607 -0.878 -4.748 1.00 0.00 H new ATOM 162 N SER A 12 -10.112 -0.763 -5.292 1.00 0.00 N ATOM 163 CA SER A 12 -9.165 -1.852 -5.177 1.00 0.00 C ATOM 164 C SER A 12 -8.397 -2.052 -6.489 1.00 0.00 C ATOM 165 O SER A 12 -7.921 -3.160 -6.754 1.00 0.00 O ATOM 166 CB SER A 12 -9.994 -3.082 -4.764 1.00 0.00 C ATOM 167 OG SER A 12 -11.243 -3.123 -5.434 1.00 0.00 O ATOM 0 H SER A 12 -10.974 -1.017 -5.775 1.00 0.00 H new ATOM 0 HA SER A 12 -8.393 -1.654 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.433 -3.990 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.160 -3.064 -3.687 1.00 0.00 H new ATOM 0 HG SER A 12 -11.741 -3.917 -5.149 1.00 0.00 H new ATOM 173 N VAL A 13 -8.083 -0.967 -7.207 1.00 0.00 N ATOM 174 CA VAL A 13 -7.187 -0.951 -8.367 1.00 0.00 C ATOM 175 C VAL A 13 -6.007 0.002 -8.155 1.00 0.00 C ATOM 176 O VAL A 13 -4.916 -0.271 -8.647 1.00 0.00 O ATOM 177 CB VAL A 13 -7.943 -0.746 -9.705 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.362 -1.345 -9.680 1.00 0.00 C ATOM 179 CG2 VAL A 13 -7.981 0.700 -10.221 1.00 0.00 C ATOM 0 H VAL A 13 -8.459 -0.045 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.748 -1.945 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.338 -1.301 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.846 -1.173 -10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.301 -2.417 -9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.944 -0.869 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.532 0.737 -11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.475 1.336 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.963 1.055 -10.383 1.00 0.00 H new ATOM 189 N VAL A 14 -6.193 1.101 -7.408 1.00 0.00 N ATOM 190 CA VAL A 14 -5.179 2.153 -7.312 1.00 0.00 C ATOM 191 C VAL A 14 -3.822 1.623 -6.833 1.00 0.00 C ATOM 192 O VAL A 14 -2.772 1.947 -7.388 1.00 0.00 O ATOM 193 CB VAL A 14 -5.683 3.392 -6.566 1.00 0.00 C ATOM 194 CG1 VAL A 14 -7.029 3.901 -7.080 1.00 0.00 C ATOM 195 CG2 VAL A 14 -5.829 3.061 -5.101 1.00 0.00 C ATOM 0 H VAL A 14 -7.037 1.281 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.990 2.505 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.948 4.180 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.328 4.780 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.939 4.166 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.781 3.120 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.188 3.939 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.543 2.246 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.862 2.759 -4.698 1.00 0.00 H new ATOM 205 N LEU A 15 -3.824 0.750 -5.822 1.00 0.00 N ATOM 206 CA LEU A 15 -2.587 0.234 -5.254 1.00 0.00 C ATOM 207 C LEU A 15 -1.980 -0.825 -6.172 1.00 0.00 C ATOM 208 O LEU A 15 -0.758 -0.977 -6.222 1.00 0.00 O ATOM 209 CB LEU A 15 -2.875 -0.318 -3.857 1.00 0.00 C ATOM 210 CG LEU A 15 -1.612 -0.646 -3.055 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.708 0.573 -2.821 1.00 0.00 C ATOM 212 CD2 LEU A 15 -2.032 -1.185 -1.697 1.00 0.00 C ATOM 0 H LEU A 15 -4.671 0.389 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.853 1.035 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.468 0.410 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.481 -1.219 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.043 -1.372 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.168 0.271 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.391 0.980 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.259 1.334 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.145 -1.425 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.621 -0.432 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.632 -2.085 -1.832 1.00 0.00 H new ATOM 224 N LEU A 16 -2.837 -1.506 -6.934 1.00 0.00 N ATOM 225 CA LEU A 16 -2.486 -2.417 -8.013 1.00 0.00 C ATOM 226 C LEU A 16 -1.858 -1.674 -9.194 1.00 0.00 C ATOM 227 O LEU A 16 -1.286 -2.341 -10.043 1.00 0.00 O ATOM 228 CB LEU A 16 -3.726 -3.226 -8.459 1.00 0.00 C ATOM 229 CG LEU A 16 -3.796 -4.670 -7.933 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.635 -4.809 -6.413 1.00 0.00 C ATOM 231 CD2 LEU A 16 -5.158 -5.273 -8.282 1.00 0.00 C ATOM 0 H LEU A 16 -3.846 -1.430 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.737 -3.113 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.621 -2.695 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.749 -3.253 -9.548 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.960 -5.183 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.698 -5.861 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.666 -4.412 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.427 -4.253 -5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.209 -6.296 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.948 -4.679 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.289 -5.273 -9.364 1.00 0.00 H new ATOM 243 N SER A 17 -1.878 -0.338 -9.237 1.00 0.00 N ATOM 244 CA SER A 17 -1.225 0.440 -10.282 1.00 0.00 C ATOM 245 C SER A 17 -0.110 1.343 -9.739 1.00 0.00 C ATOM 246 O SER A 17 0.559 2.035 -10.507 1.00 0.00 O ATOM 247 CB SER A 17 -2.295 1.162 -11.108 1.00 0.00 C ATOM 248 OG SER A 17 -1.808 1.472 -12.405 1.00 0.00 O ATOM 0 H SER A 17 -2.353 0.234 -8.539 1.00 0.00 H new ATOM 0 HA SER A 17 -0.692 -0.228 -10.958 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.183 0.535 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.597 2.078 -10.600 1.00 0.00 H new ATOM 0 HG SER A 17 -0.878 1.773 -12.342 1.00 0.00 H new ATOM 254 N VAL A 18 0.145 1.319 -8.428 1.00 0.00 N ATOM 255 CA VAL A 18 1.198 2.114 -7.802 1.00 0.00 C ATOM 256 C VAL A 18 2.275 1.212 -7.213 1.00 0.00 C ATOM 257 O VAL A 18 3.453 1.429 -7.481 1.00 0.00 O ATOM 258 CB VAL A 18 0.574 3.115 -6.805 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.620 3.801 -5.913 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.225 4.197 -7.556 1.00 0.00 C ATOM 0 H VAL A 18 -0.379 0.743 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 18 1.715 2.718 -8.548 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.085 2.532 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.122 4.493 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.156 3.048 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.326 4.350 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.658 4.894 -6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.439 4.737 -8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.023 3.727 -8.131 1.00 0.00 H new ATOM 270 N LEU A 19 1.920 0.201 -6.417 1.00 0.00 N ATOM 271 CA LEU A 19 2.921 -0.567 -5.684 1.00 0.00 C ATOM 272 C LEU A 19 3.423 -1.715 -6.544 1.00 0.00 C ATOM 273 O LEU A 19 4.561 -1.695 -6.999 1.00 0.00 O ATOM 274 CB LEU A 19 2.359 -1.009 -4.321 1.00 0.00 C ATOM 275 CG LEU A 19 3.117 -0.412 -3.134 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.504 -1.028 -2.946 1.00 0.00 C ATOM 277 CD2 LEU A 19 3.178 1.116 -3.182 1.00 0.00 C ATOM 0 H LEU A 19 0.957 -0.100 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 19 3.789 0.055 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.310 -0.719 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.394 -2.097 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 19 2.535 -0.677 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.994 -0.565 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.406 -2.100 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.102 -0.859 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.727 1.486 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.684 1.431 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.166 1.521 -3.170 1.00 0.00 H new ATOM 289 N GLN A 20 2.575 -2.712 -6.784 1.00 0.00 N ATOM 290 CA GLN A 20 2.915 -3.872 -7.598 1.00 0.00 C ATOM 291 C GLN A 20 3.431 -3.564 -9.003 1.00 0.00 C ATOM 292 O GLN A 20 4.122 -4.380 -9.592 1.00 0.00 O ATOM 293 CB GLN A 20 1.702 -4.785 -7.665 1.00 0.00 C ATOM 294 CG GLN A 20 0.582 -4.303 -8.588 1.00 0.00 C ATOM 295 CD GLN A 20 0.704 -4.826 -10.020 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.924 -4.065 -10.952 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.553 -6.119 -10.241 1.00 0.00 N ATOM 0 H GLN A 20 1.624 -2.736 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 20 3.759 -4.355 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.026 -5.772 -7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.298 -4.903 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.377 -4.616 -8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.581 -3.213 -8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.370 -6.752 -9.462 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.620 -6.485 -11.191 1.00 0.00 H new ATOM 306 N GLN A 21 3.071 -2.397 -9.524 1.00 0.00 N ATOM 307 CA GLN A 21 3.419 -1.897 -10.847 1.00 0.00 C ATOM 308 C GLN A 21 4.903 -2.147 -11.164 1.00 0.00 C ATOM 309 O GLN A 21 5.216 -2.592 -12.271 1.00 0.00 O ATOM 310 CB GLN A 21 3.051 -0.406 -10.869 1.00 0.00 C ATOM 311 CG GLN A 21 3.393 0.344 -12.168 1.00 0.00 C ATOM 312 CD GLN A 21 3.687 1.822 -11.904 1.00 0.00 C ATOM 313 OE1 GLN A 21 4.479 2.152 -11.018 1.00 0.00 O ATOM 314 NE2 GLN A 21 3.086 2.726 -12.657 1.00 0.00 N ATOM 0 H GLN A 21 2.495 -1.736 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 21 2.868 -2.424 -11.626 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.980 -0.312 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.560 0.088 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.258 -0.121 -12.640 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.562 0.257 -12.869 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.434 2.432 -13.385 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.274 3.718 -12.511 1.00 0.00 H new ATOM 323 N LEU A 22 5.795 -1.856 -10.206 1.00 0.00 N ATOM 324 CA LEU A 22 7.236 -2.119 -10.289 1.00 0.00 C ATOM 325 C LEU A 22 7.787 -2.735 -9.006 1.00 0.00 C ATOM 326 O LEU A 22 8.724 -3.529 -9.090 1.00 0.00 O ATOM 327 CB LEU A 22 8.071 -0.841 -10.557 1.00 0.00 C ATOM 328 CG LEU A 22 8.425 -0.479 -12.010 1.00 0.00 C ATOM 329 CD1 LEU A 22 8.979 -1.672 -12.793 1.00 0.00 C ATOM 330 CD2 LEU A 22 7.256 0.159 -12.758 1.00 0.00 C ATOM 0 H LEU A 22 5.524 -1.418 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 22 7.331 -2.812 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.530 0.003 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.005 -0.935 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 22 9.217 0.267 -11.939 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.212 -1.362 -13.812 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.885 -2.037 -12.308 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.235 -2.468 -12.818 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.561 0.394 -13.778 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.416 -0.536 -12.782 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.955 1.075 -12.249 1.00 0.00 H new ATOM 342 N ARG A 23 7.329 -2.326 -7.816 1.00 0.00 N ATOM 343 CA ARG A 23 7.915 -2.794 -6.557 1.00 0.00 C ATOM 344 C ARG A 23 7.539 -4.255 -6.336 1.00 0.00 C ATOM 345 O ARG A 23 8.340 -5.147 -6.610 1.00 0.00 O ATOM 346 CB ARG A 23 7.511 -1.859 -5.407 1.00 0.00 C ATOM 347 CG ARG A 23 8.218 -0.500 -5.512 1.00 0.00 C ATOM 348 CD ARG A 23 7.473 0.584 -4.734 1.00 0.00 C ATOM 349 NE ARG A 23 8.317 1.775 -4.573 1.00 0.00 N ATOM 350 CZ ARG A 23 7.997 2.931 -3.987 1.00 0.00 C ATOM 351 NH1 ARG A 23 6.788 3.135 -3.479 1.00 0.00 N ATOM 352 NH2 ARG A 23 8.918 3.877 -3.899 1.00 0.00 N ATOM 0 H ARG A 23 6.555 -1.672 -7.700 1.00 0.00 H new ATOM 0 HA ARG A 23 9.004 -2.758 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.431 -1.711 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.757 -2.326 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.235 -0.588 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.294 -0.209 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.555 0.850 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.182 0.202 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 23 9.261 1.711 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.082 2.401 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.565 4.026 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.852 3.716 -4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.694 4.767 -3.455 1.00 0.00 H new ATOM 366 N VAL A 24 6.304 -4.519 -5.921 1.00 0.00 N ATOM 367 CA VAL A 24 5.819 -5.877 -5.657 1.00 0.00 C ATOM 368 C VAL A 24 5.227 -6.471 -6.941 1.00 0.00 C ATOM 369 O VAL A 24 4.084 -6.919 -6.981 1.00 0.00 O ATOM 370 CB VAL A 24 4.940 -5.897 -4.384 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.741 -4.946 -4.412 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.494 -7.305 -3.971 1.00 0.00 C ATOM 0 H VAL A 24 5.604 -3.795 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 24 6.629 -6.561 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 24 5.617 -5.517 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.187 -5.032 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.092 -3.921 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.089 -5.207 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.882 -7.243 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.912 -7.753 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.371 -7.921 -3.771 1.00 0.00 H new ATOM 382 N GLU A 25 6.002 -6.413 -8.019 1.00 0.00 N ATOM 383 CA GLU A 25 5.700 -7.123 -9.253 1.00 0.00 C ATOM 384 C GLU A 25 6.121 -8.573 -9.016 1.00 0.00 C ATOM 385 O GLU A 25 7.290 -8.931 -9.186 1.00 0.00 O ATOM 386 CB GLU A 25 6.357 -6.454 -10.466 1.00 0.00 C ATOM 387 CG GLU A 25 5.512 -6.566 -11.747 1.00 0.00 C ATOM 388 CD GLU A 25 5.296 -7.999 -12.244 1.00 0.00 C ATOM 389 OE1 GLU A 25 4.510 -8.747 -11.618 1.00 0.00 O ATOM 390 OE2 GLU A 25 5.820 -8.360 -13.321 1.00 0.00 O ATOM 0 H GLU A 25 6.863 -5.868 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 25 4.639 -7.094 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.531 -5.401 -10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.332 -6.908 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.540 -6.107 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.995 -5.990 -12.537 1.00 0.00 H new ATOM 397 N SER A 26 5.221 -9.391 -8.479 1.00 0.00 N ATOM 398 CA SER A 26 5.436 -10.807 -8.217 1.00 0.00 C ATOM 399 C SER A 26 4.083 -11.520 -8.197 1.00 0.00 C ATOM 400 O SER A 26 3.031 -10.870 -8.137 1.00 0.00 O ATOM 401 CB SER A 26 6.150 -10.974 -6.866 1.00 0.00 C ATOM 402 OG SER A 26 7.415 -10.333 -6.866 1.00 0.00 O ATOM 0 H SER A 26 4.291 -9.074 -8.206 1.00 0.00 H new ATOM 0 HA SER A 26 6.059 -11.243 -8.998 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.530 -10.559 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.278 -12.035 -6.649 1.00 0.00 H new ATOM 0 HG SER A 26 7.562 -9.899 -7.732 1.00 0.00 H new ATOM 408 N SER A 27 4.104 -12.852 -8.199 1.00 0.00 N ATOM 409 CA SER A 27 2.960 -13.665 -7.815 1.00 0.00 C ATOM 410 C SER A 27 2.815 -13.663 -6.284 1.00 0.00 C ATOM 411 O SER A 27 3.588 -13.001 -5.585 1.00 0.00 O ATOM 412 CB SER A 27 3.134 -15.091 -8.359 1.00 0.00 C ATOM 413 OG SER A 27 3.398 -15.082 -9.752 1.00 0.00 O ATOM 0 H SER A 27 4.922 -13.397 -8.470 1.00 0.00 H new ATOM 0 HA SER A 27 2.048 -13.248 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.952 -15.585 -7.835 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.232 -15.671 -8.161 1.00 0.00 H new ATOM 0 HG SER A 27 3.506 -16.003 -10.070 1.00 0.00 H new ATOM 419 N SER A 28 1.868 -14.456 -5.777 1.00 0.00 N ATOM 420 CA SER A 28 1.575 -14.787 -4.388 1.00 0.00 C ATOM 421 C SER A 28 0.476 -13.870 -3.864 1.00 0.00 C ATOM 422 O SER A 28 0.589 -12.644 -3.834 1.00 0.00 O ATOM 423 CB SER A 28 2.823 -14.775 -3.492 1.00 0.00 C ATOM 424 OG SER A 28 2.609 -15.495 -2.293 1.00 0.00 O ATOM 0 H SER A 28 1.218 -14.932 -6.403 1.00 0.00 H new ATOM 0 HA SER A 28 1.216 -15.816 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.664 -15.209 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.093 -13.746 -3.256 1.00 0.00 H new ATOM 0 HG SER A 28 3.422 -15.469 -1.747 1.00 0.00 H new ATOM 430 N LYS A 29 -0.621 -14.474 -3.397 1.00 0.00 N ATOM 431 CA LYS A 29 -1.632 -13.754 -2.628 1.00 0.00 C ATOM 432 C LYS A 29 -1.112 -13.358 -1.240 1.00 0.00 C ATOM 433 O LYS A 29 -1.868 -12.742 -0.502 1.00 0.00 O ATOM 434 CB LYS A 29 -2.952 -14.547 -2.536 1.00 0.00 C ATOM 435 CG LYS A 29 -3.642 -14.795 -3.886 1.00 0.00 C ATOM 436 CD LYS A 29 -4.279 -13.533 -4.492 1.00 0.00 C ATOM 437 CE LYS A 29 -4.999 -13.953 -5.773 1.00 0.00 C ATOM 438 NZ LYS A 29 -5.819 -12.893 -6.393 1.00 0.00 N ATOM 0 H LYS A 29 -0.829 -15.462 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.848 -12.832 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.751 -15.508 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.640 -14.008 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.913 -15.197 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.413 -15.555 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.979 -13.081 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.517 -12.785 -4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.257 -14.291 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.639 -14.807 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.270 -13.262 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.552 -12.584 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.213 -12.085 -6.639 1.00 0.00 H new ATOM 452 N LEU A 30 0.137 -13.665 -0.860 1.00 0.00 N ATOM 453 CA LEU A 30 0.770 -13.143 0.348 1.00 0.00 C ATOM 454 C LEU A 30 0.682 -11.616 0.343 1.00 0.00 C ATOM 455 O LEU A 30 0.110 -11.018 1.251 1.00 0.00 O ATOM 456 CB LEU A 30 2.223 -13.641 0.393 1.00 0.00 C ATOM 457 CG LEU A 30 3.056 -13.086 1.558 1.00 0.00 C ATOM 458 CD1 LEU A 30 2.500 -13.518 2.916 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.491 -13.594 1.419 1.00 0.00 C ATOM 0 H LEU A 30 0.739 -14.292 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 30 0.261 -13.497 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.218 -14.729 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.713 -13.376 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 30 3.019 -11.997 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.119 -13.103 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.479 -13.153 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.505 -14.606 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.095 -13.208 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.496 -14.684 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.907 -13.253 0.471 1.00 0.00 H new ATOM 471 N TRP A 31 1.180 -10.980 -0.719 1.00 0.00 N ATOM 472 CA TRP A 31 1.009 -9.553 -0.941 1.00 0.00 C ATOM 473 C TRP A 31 -0.471 -9.159 -0.964 1.00 0.00 C ATOM 474 O TRP A 31 -0.863 -8.166 -0.343 1.00 0.00 O ATOM 475 CB TRP A 31 1.745 -9.161 -2.224 1.00 0.00 C ATOM 476 CG TRP A 31 1.136 -8.049 -3.007 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.161 -6.735 -2.704 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.378 -8.167 -4.235 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.488 -6.030 -3.681 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.000 -6.865 -4.661 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.014 -9.257 -5.032 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.697 -6.650 -5.855 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.708 -9.055 -6.234 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.025 -7.753 -6.657 1.00 0.00 C ATOM 0 H TRP A 31 1.715 -11.448 -1.450 1.00 0.00 H new ATOM 0 HA TRP A 31 1.445 -8.998 -0.110 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.766 -8.880 -1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.810 -10.039 -2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.633 -6.303 -1.834 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.367 -5.017 -3.678 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.222 -10.262 -4.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.978 -5.651 -6.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.000 -9.903 -6.836 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.523 -7.601 -7.603 1.00 0.00 H new ATOM 495 N ALA A 32 -1.301 -9.922 -1.678 1.00 0.00 N ATOM 496 CA ALA A 32 -2.719 -9.619 -1.828 1.00 0.00 C ATOM 497 C ALA A 32 -3.454 -9.587 -0.478 1.00 0.00 C ATOM 498 O ALA A 32 -4.382 -8.800 -0.310 1.00 0.00 O ATOM 499 CB ALA A 32 -3.401 -10.601 -2.778 1.00 0.00 C ATOM 0 H ALA A 32 -1.005 -10.767 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.777 -8.620 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.457 -10.347 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.930 -10.545 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.303 -11.613 -2.386 1.00 0.00 H new ATOM 505 N GLN A 33 -3.011 -10.369 0.507 1.00 0.00 N ATOM 506 CA GLN A 33 -3.524 -10.389 1.870 1.00 0.00 C ATOM 507 C GLN A 33 -3.366 -9.037 2.579 1.00 0.00 C ATOM 508 O GLN A 33 -4.109 -8.748 3.521 1.00 0.00 O ATOM 509 CB GLN A 33 -2.878 -11.583 2.597 1.00 0.00 C ATOM 510 CG GLN A 33 -2.321 -11.345 4.004 1.00 0.00 C ATOM 511 CD GLN A 33 -1.924 -12.665 4.652 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.672 -13.641 4.579 1.00 0.00 O ATOM 513 NE2 GLN A 33 -0.783 -12.750 5.307 1.00 0.00 N ATOM 0 H GLN A 33 -2.251 -11.034 0.366 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.604 -10.536 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.621 -12.378 2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.065 -11.955 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.456 -10.684 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.069 -10.843 4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.167 -11.939 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.517 -13.626 5.756 1.00 0.00 H new ATOM 522 N CYS A 34 -2.466 -8.188 2.088 1.00 0.00 N ATOM 523 CA CYS A 34 -2.290 -6.815 2.519 1.00 0.00 C ATOM 524 C CYS A 34 -2.881 -5.835 1.517 1.00 0.00 C ATOM 525 O CYS A 34 -3.330 -4.755 1.905 1.00 0.00 O ATOM 526 CB CYS A 34 -0.796 -6.605 2.771 1.00 0.00 C ATOM 527 SG CYS A 34 -0.541 -5.634 4.273 1.00 0.00 S ATOM 0 H CYS A 34 -1.816 -8.455 1.349 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.835 -6.622 3.443 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.297 -7.570 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.345 -6.095 1.920 1.00 0.00 H new ATOM 0 HG CYS A 34 0.733 -5.468 4.471 1.00 0.00 H new ATOM 533 N VAL A 35 -2.968 -6.213 0.241 1.00 0.00 N ATOM 534 CA VAL A 35 -3.673 -5.397 -0.724 1.00 0.00 C ATOM 535 C VAL A 35 -5.144 -5.279 -0.337 1.00 0.00 C ATOM 536 O VAL A 35 -5.633 -4.157 -0.347 1.00 0.00 O ATOM 537 CB VAL A 35 -3.363 -5.845 -2.175 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.476 -6.602 -2.913 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.985 -4.636 -3.033 1.00 0.00 C ATOM 0 H VAL A 35 -2.562 -7.069 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.306 -4.371 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.544 -6.553 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.137 -6.860 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.720 -7.513 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.362 -5.971 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.770 -4.964 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.813 -3.927 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.102 -4.153 -2.613 1.00 0.00 H new ATOM 549 N GLN A 36 -5.814 -6.343 0.112 1.00 0.00 N ATOM 550 CA GLN A 36 -7.202 -6.257 0.573 1.00 0.00 C ATOM 551 C GLN A 36 -7.365 -5.113 1.580 1.00 0.00 C ATOM 552 O GLN A 36 -8.175 -4.218 1.369 1.00 0.00 O ATOM 553 CB GLN A 36 -7.744 -7.595 1.119 1.00 0.00 C ATOM 554 CG GLN A 36 -6.872 -8.288 2.179 1.00 0.00 C ATOM 555 CD GLN A 36 -7.587 -9.354 3.012 1.00 0.00 C ATOM 556 OE1 GLN A 36 -8.795 -9.562 2.931 1.00 0.00 O ATOM 557 NE2 GLN A 36 -6.842 -10.020 3.879 1.00 0.00 N ATOM 0 H GLN A 36 -5.415 -7.280 0.166 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.816 -6.032 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.731 -7.418 1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.878 -8.280 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.020 -8.750 1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.474 -7.529 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.840 -9.838 3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.270 -10.716 4.490 1.00 0.00 H new ATOM 566 N LEU A 37 -6.546 -5.060 2.632 1.00 0.00 N ATOM 567 CA LEU A 37 -6.712 -4.041 3.657 1.00 0.00 C ATOM 568 C LEU A 37 -6.453 -2.640 3.116 1.00 0.00 C ATOM 569 O LEU A 37 -7.116 -1.709 3.572 1.00 0.00 O ATOM 570 CB LEU A 37 -5.872 -4.363 4.906 1.00 0.00 C ATOM 571 CG LEU A 37 -6.723 -4.804 6.115 1.00 0.00 C ATOM 572 CD1 LEU A 37 -7.565 -3.658 6.685 1.00 0.00 C ATOM 573 CD2 LEU A 37 -7.643 -5.993 5.790 1.00 0.00 C ATOM 0 H LEU A 37 -5.772 -5.704 2.791 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.756 -4.053 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.161 -5.152 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.290 -3.483 5.181 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.002 -5.120 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.145 -4.020 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.908 -2.852 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.241 -3.286 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.218 -6.261 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.324 -5.717 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.039 -6.845 5.478 1.00 0.00 H new ATOM 585 N HIS A 38 -5.603 -2.452 2.096 1.00 0.00 N ATOM 586 CA HIS A 38 -5.445 -1.118 1.513 1.00 0.00 C ATOM 587 C HIS A 38 -6.799 -0.536 1.090 1.00 0.00 C ATOM 588 O HIS A 38 -6.979 0.676 1.181 1.00 0.00 O ATOM 589 CB HIS A 38 -4.481 -1.082 0.328 1.00 0.00 C ATOM 590 CG HIS A 38 -5.131 -0.953 -1.048 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.517 -1.999 -1.846 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.558 0.197 -1.667 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.153 -1.508 -2.909 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.236 -0.168 -2.818 1.00 0.00 N ATOM 0 H HIS A 38 -5.032 -3.183 1.671 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.010 -0.505 2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.795 -0.246 0.466 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.881 -1.992 0.343 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.346 -2.987 -1.658 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.394 1.206 -1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.544 -2.099 -3.724 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.707 0.458 -3.471 1.00 0.00 H new ATOM 603 N ASN A 39 -7.711 -1.368 0.555 1.00 0.00 N ATOM 604 CA ASN A 39 -8.974 -0.867 0.019 1.00 0.00 C ATOM 605 C ASN A 39 -9.937 -0.471 1.136 1.00 0.00 C ATOM 606 O ASN A 39 -10.916 0.225 0.882 1.00 0.00 O ATOM 607 CB ASN A 39 -9.614 -1.759 -1.063 1.00 0.00 C ATOM 608 CG ASN A 39 -9.987 -3.186 -0.683 1.00 0.00 C ATOM 609 OD1 ASN A 39 -9.639 -4.113 -1.412 1.00 0.00 O ATOM 610 ND2 ASN A 39 -10.734 -3.416 0.380 1.00 0.00 N ATOM 0 H ASN A 39 -7.592 -2.379 0.486 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.725 0.044 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.517 -1.260 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.926 -1.807 -1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.027 -4.368 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.019 -2.642 0.980 1.00 0.00 H new ATOM 617 N ASP A 40 -9.684 -0.867 2.380 1.00 0.00 N ATOM 618 CA ASP A 40 -10.352 -0.358 3.561 1.00 0.00 C ATOM 619 C ASP A 40 -9.690 0.955 3.987 1.00 0.00 C ATOM 620 O ASP A 40 -10.384 1.924 4.296 1.00 0.00 O ATOM 621 CB ASP A 40 -10.250 -1.414 4.673 1.00 0.00 C ATOM 622 CG ASP A 40 -11.500 -2.278 4.751 1.00 0.00 C ATOM 623 OD1 ASP A 40 -11.800 -2.976 3.758 1.00 0.00 O ATOM 624 OD2 ASP A 40 -12.153 -2.279 5.819 1.00 0.00 O ATOM 0 H ASP A 40 -8.983 -1.576 2.595 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.404 -0.160 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.381 -2.048 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.091 -0.919 5.631 1.00 0.00 H new ATOM 629 N ILE A 41 -8.355 1.024 3.981 1.00 0.00 N ATOM 630 CA ILE A 41 -7.591 2.185 4.406 1.00 0.00 C ATOM 631 C ILE A 41 -7.987 3.478 3.663 1.00 0.00 C ATOM 632 O ILE A 41 -7.782 4.525 4.256 1.00 0.00 O ATOM 633 CB ILE A 41 -6.063 1.874 4.389 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.567 1.198 5.697 1.00 0.00 C ATOM 635 CG2 ILE A 41 -5.208 3.131 4.301 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.883 -0.281 5.865 1.00 0.00 C ATOM 0 H ILE A 41 -7.767 0.250 3.671 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.852 2.397 5.443 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.954 1.228 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.486 1.324 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.997 1.736 6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.154 2.854 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.449 3.671 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.409 3.769 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.484 -0.633 6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.963 -0.426 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.429 -0.845 5.050 1.00 0.00 H new ATOM 648 N LEU A 42 -8.617 3.486 2.474 1.00 0.00 N ATOM 649 CA LEU A 42 -8.976 4.745 1.792 1.00 0.00 C ATOM 650 C LEU A 42 -9.846 5.685 2.618 1.00 0.00 C ATOM 651 O LEU A 42 -9.925 6.868 2.295 1.00 0.00 O ATOM 652 CB LEU A 42 -9.719 4.519 0.459 1.00 0.00 C ATOM 653 CG LEU A 42 -8.925 3.999 -0.746 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.429 4.294 -0.665 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.120 2.498 -0.883 1.00 0.00 C ATOM 0 H LEU A 42 -8.887 2.642 1.968 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.002 5.205 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.531 3.817 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.176 5.465 0.170 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.313 4.528 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.932 3.898 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.273 5.372 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.013 3.824 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.554 2.134 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.768 2.001 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.178 2.280 -1.028 1.00 0.00 H new ATOM 667 N LEU A 43 -10.497 5.176 3.659 1.00 0.00 N ATOM 668 CA LEU A 43 -11.241 5.972 4.615 1.00 0.00 C ATOM 669 C LEU A 43 -10.591 5.782 5.977 1.00 0.00 C ATOM 670 O LEU A 43 -11.221 5.288 6.912 1.00 0.00 O ATOM 671 CB LEU A 43 -12.746 5.622 4.487 1.00 0.00 C ATOM 672 CG LEU A 43 -13.629 6.759 3.949 1.00 0.00 C ATOM 673 CD1 LEU A 43 -13.970 7.707 5.091 1.00 0.00 C ATOM 674 CD2 LEU A 43 -13.004 7.495 2.759 1.00 0.00 C ATOM 0 H LEU A 43 -10.519 4.177 3.861 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.205 7.046 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.849 4.759 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.120 5.323 5.466 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.547 6.320 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.597 8.517 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.506 7.162 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.051 8.121 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.677 8.286 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.052 7.932 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.838 6.792 1.943 1.00 0.00 H new ATOM 686 N ALA A 44 -9.302 6.122 6.088 1.00 0.00 N ATOM 687 CA ALA A 44 -8.580 6.031 7.349 1.00 0.00 C ATOM 688 C ALA A 44 -8.396 7.470 7.809 1.00 0.00 C ATOM 689 O ALA A 44 -7.361 8.088 7.575 1.00 0.00 O ATOM 690 CB ALA A 44 -7.280 5.234 7.185 1.00 0.00 C ATOM 0 H ALA A 44 -8.739 6.465 5.309 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.120 5.474 8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.762 5.182 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.512 4.225 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.641 5.727 6.453 1.00 0.00 H new ATOM 696 N LYS A 45 -9.466 8.019 8.393 1.00 0.00 N ATOM 697 CA LYS A 45 -9.639 9.427 8.741 1.00 0.00 C ATOM 698 C LYS A 45 -9.746 10.293 7.495 1.00 0.00 C ATOM 699 O LYS A 45 -10.831 10.790 7.197 1.00 0.00 O ATOM 700 CB LYS A 45 -8.559 9.886 9.742 1.00 0.00 C ATOM 701 CG LYS A 45 -9.007 11.038 10.650 1.00 0.00 C ATOM 702 CD LYS A 45 -9.057 12.402 9.962 1.00 0.00 C ATOM 703 CE LYS A 45 -9.343 13.497 10.993 1.00 0.00 C ATOM 704 NZ LYS A 45 -9.343 14.827 10.363 1.00 0.00 N ATOM 0 H LYS A 45 -10.279 7.458 8.649 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.590 9.550 9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.268 9.038 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.672 10.195 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.996 10.808 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.329 11.099 11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.110 12.601 9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.830 12.403 9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.308 13.314 11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.591 13.464 11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.539 15.552 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.413 15.008 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.077 14.862 9.627 1.00 0.00 H new ATOM 718 N ASP A 46 -8.668 10.435 6.749 1.00 0.00 N ATOM 719 CA ASP A 46 -8.463 11.407 5.679 1.00 0.00 C ATOM 720 C ASP A 46 -8.388 10.659 4.352 1.00 0.00 C ATOM 721 O ASP A 46 -8.757 9.484 4.290 1.00 0.00 O ATOM 722 CB ASP A 46 -7.188 12.217 5.983 1.00 0.00 C ATOM 723 CG ASP A 46 -7.429 13.395 6.922 1.00 0.00 C ATOM 724 OD1 ASP A 46 -8.588 13.780 7.186 1.00 0.00 O ATOM 725 OD2 ASP A 46 -6.431 13.987 7.378 1.00 0.00 O ATOM 0 H ASP A 46 -7.853 9.836 6.879 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.289 12.115 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.443 11.556 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.770 12.587 5.047 1.00 0.00 H new ATOM 730 N THR A 47 -7.964 11.328 3.280 1.00 0.00 N ATOM 731 CA THR A 47 -7.490 10.661 2.076 1.00 0.00 C ATOM 732 C THR A 47 -5.966 10.529 2.135 1.00 0.00 C ATOM 733 O THR A 47 -5.437 9.522 1.675 1.00 0.00 O ATOM 734 CB THR A 47 -7.878 11.444 0.811 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.173 12.016 0.890 1.00 0.00 O ATOM 736 CG2 THR A 47 -7.824 10.517 -0.404 1.00 0.00 C ATOM 0 H THR A 47 -7.941 12.346 3.226 1.00 0.00 H new ATOM 0 HA THR A 47 -7.956 9.677 2.028 1.00 0.00 H new ATOM 0 HB THR A 47 -7.161 12.260 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.367 12.502 0.062 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.099 11.074 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.814 10.124 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.521 9.691 -0.262 1.00 0.00 H new ATOM 744 N THR A 48 -5.264 11.529 2.679 1.00 0.00 N ATOM 745 CA THR A 48 -3.814 11.599 2.624 1.00 0.00 C ATOM 746 C THR A 48 -3.207 10.525 3.513 1.00 0.00 C ATOM 747 O THR A 48 -2.713 9.536 2.982 1.00 0.00 O ATOM 748 CB THR A 48 -3.322 13.020 2.940 1.00 0.00 C ATOM 749 OG1 THR A 48 -3.960 13.903 2.028 1.00 0.00 O ATOM 750 CG2 THR A 48 -1.799 13.094 2.796 1.00 0.00 C ATOM 0 H THR A 48 -5.695 12.312 3.170 1.00 0.00 H new ATOM 0 HA THR A 48 -3.473 11.391 1.610 1.00 0.00 H new ATOM 0 HB THR A 48 -3.567 13.298 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.668 14.822 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.461 14.105 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.334 12.392 3.488 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.517 12.837 1.775 1.00 0.00 H new ATOM 758 N GLU A 49 -3.278 10.679 4.838 1.00 0.00 N ATOM 759 CA GLU A 49 -2.615 9.763 5.769 1.00 0.00 C ATOM 760 C GLU A 49 -3.144 8.335 5.608 1.00 0.00 C ATOM 761 O GLU A 49 -2.424 7.377 5.852 1.00 0.00 O ATOM 762 CB GLU A 49 -2.798 10.250 7.208 1.00 0.00 C ATOM 763 CG GLU A 49 -2.045 11.561 7.465 1.00 0.00 C ATOM 764 CD GLU A 49 -2.273 12.020 8.898 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.274 12.724 9.144 1.00 0.00 O ATOM 766 OE2 GLU A 49 -1.475 11.674 9.802 1.00 0.00 O ATOM 0 H GLU A 49 -3.791 11.435 5.292 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.550 9.750 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.859 10.394 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.443 9.485 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.979 11.419 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.386 12.328 6.770 1.00 0.00 H new ATOM 773 N ALA A 50 -4.375 8.206 5.120 1.00 0.00 N ATOM 774 CA ALA A 50 -5.015 7.011 4.647 1.00 0.00 C ATOM 775 C ALA A 50 -4.230 6.385 3.512 1.00 0.00 C ATOM 776 O ALA A 50 -3.571 5.373 3.727 1.00 0.00 O ATOM 777 CB ALA A 50 -6.440 7.377 4.216 1.00 0.00 C ATOM 0 H ALA A 50 -4.993 9.014 5.045 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.054 6.265 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.950 6.485 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.985 7.784 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.400 8.122 3.422 1.00 0.00 H new ATOM 783 N PHE A 51 -4.309 6.940 2.301 1.00 0.00 N ATOM 784 CA PHE A 51 -3.614 6.339 1.171 1.00 0.00 C ATOM 785 C PHE A 51 -2.133 6.124 1.511 1.00 0.00 C ATOM 786 O PHE A 51 -1.615 5.063 1.212 1.00 0.00 O ATOM 787 CB PHE A 51 -3.858 7.076 -0.162 1.00 0.00 C ATOM 788 CG PHE A 51 -2.587 7.566 -0.851 1.00 0.00 C ATOM 789 CD1 PHE A 51 -1.879 8.663 -0.332 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.007 6.813 -1.892 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.575 8.938 -0.788 1.00 0.00 C ATOM 792 CE2 PHE A 51 -0.732 7.132 -2.389 1.00 0.00 C ATOM 793 CZ PHE A 51 0.000 8.179 -1.815 1.00 0.00 C ATOM 0 H PHE A 51 -4.836 7.786 2.084 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.047 5.354 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.391 6.409 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.510 7.930 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.334 9.295 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.550 5.980 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.012 9.744 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.317 6.570 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.999 8.399 -2.161 1.00 0.00 H new ATOM 803 N GLU A 52 -1.479 7.041 2.219 1.00 0.00 N ATOM 804 CA GLU A 52 -0.097 6.942 2.683 1.00 0.00 C ATOM 805 C GLU A 52 0.089 5.719 3.581 1.00 0.00 C ATOM 806 O GLU A 52 0.974 4.908 3.304 1.00 0.00 O ATOM 807 CB GLU A 52 0.242 8.285 3.373 1.00 0.00 C ATOM 808 CG GLU A 52 0.470 9.307 2.239 1.00 0.00 C ATOM 809 CD GLU A 52 1.070 10.689 2.505 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.995 11.226 3.627 1.00 0.00 O ATOM 811 OE2 GLU A 52 1.556 11.260 1.489 1.00 0.00 O ATOM 0 H GLU A 52 -1.920 7.917 2.499 1.00 0.00 H new ATOM 0 HA GLU A 52 0.599 6.786 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.571 8.603 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.132 8.189 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.111 8.822 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.497 9.470 1.763 1.00 0.00 H new ATOM 818 N LYS A 53 -0.799 5.468 4.542 1.00 0.00 N ATOM 819 CA LYS A 53 -0.806 4.225 5.304 1.00 0.00 C ATOM 820 C LYS A 53 -0.932 3.037 4.344 1.00 0.00 C ATOM 821 O LYS A 53 -0.276 2.023 4.571 1.00 0.00 O ATOM 822 CB LYS A 53 -1.928 4.300 6.361 1.00 0.00 C ATOM 823 CG LYS A 53 -1.911 3.199 7.425 1.00 0.00 C ATOM 824 CD LYS A 53 -3.058 3.381 8.438 1.00 0.00 C ATOM 825 CE LYS A 53 -2.616 3.176 9.896 1.00 0.00 C ATOM 826 NZ LYS A 53 -1.923 4.358 10.459 1.00 0.00 N ATOM 0 H LYS A 53 -1.533 6.122 4.813 1.00 0.00 H new ATOM 0 HA LYS A 53 0.130 4.078 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.866 5.266 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.889 4.269 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.999 2.225 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.955 3.211 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.475 4.382 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.856 2.676 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.490 2.948 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.954 2.312 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.648 4.163 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.073 4.563 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.561 5.179 10.434 1.00 0.00 H new ATOM 840 N MET A 54 -1.694 3.141 3.249 1.00 0.00 N ATOM 841 CA MET A 54 -2.021 2.046 2.345 1.00 0.00 C ATOM 842 C MET A 54 -0.805 1.738 1.452 1.00 0.00 C ATOM 843 O MET A 54 -0.649 0.617 0.966 1.00 0.00 O ATOM 844 CB MET A 54 -3.262 2.382 1.495 1.00 0.00 C ATOM 845 CG MET A 54 -2.997 2.661 0.012 1.00 0.00 C ATOM 846 SD MET A 54 -4.338 3.457 -0.859 1.00 0.00 S ATOM 847 CE MET A 54 -3.562 3.524 -2.474 1.00 0.00 C ATOM 0 H MET A 54 -2.113 4.026 2.963 1.00 0.00 H new ATOM 0 HA MET A 54 -2.261 1.160 2.933 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.966 1.553 1.570 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.751 3.255 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.108 3.286 -0.071 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.771 1.718 -0.485 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.110 4.217 -3.113 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.532 3.865 -2.369 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.572 2.531 -2.924 1.00 0.00 H new ATOM 857 N VAL A 55 0.034 2.740 1.185 1.00 0.00 N ATOM 858 CA VAL A 55 1.298 2.594 0.483 1.00 0.00 C ATOM 859 C VAL A 55 2.408 2.166 1.448 1.00 0.00 C ATOM 860 O VAL A 55 3.404 1.581 1.017 1.00 0.00 O ATOM 861 CB VAL A 55 1.578 3.858 -0.365 1.00 0.00 C ATOM 862 CG1 VAL A 55 0.764 3.749 -1.657 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.354 5.254 0.131 1.00 0.00 C ATOM 0 H VAL A 55 -0.159 3.703 1.462 1.00 0.00 H new ATOM 0 HA VAL A 55 1.252 1.779 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 55 2.666 3.803 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.943 4.629 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.066 2.855 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.297 3.686 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.624 5.965 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.304 5.383 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.971 5.430 1.012 1.00 0.00 H new ATOM 873 N SER A 56 2.201 2.372 2.747 1.00 0.00 N ATOM 874 CA SER A 56 3.123 1.994 3.803 1.00 0.00 C ATOM 875 C SER A 56 3.136 0.492 4.029 1.00 0.00 C ATOM 876 O SER A 56 4.189 -0.133 3.898 1.00 0.00 O ATOM 877 CB SER A 56 2.849 2.781 5.087 1.00 0.00 C ATOM 878 OG SER A 56 3.807 2.434 6.051 1.00 0.00 O ATOM 0 H SER A 56 1.357 2.822 3.100 1.00 0.00 H new ATOM 0 HA SER A 56 4.128 2.262 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.887 3.852 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.847 2.561 5.456 1.00 0.00 H new ATOM 0 HG SER A 56 3.638 2.936 6.876 1.00 0.00 H new ATOM 884 N LEU A 57 1.965 -0.091 4.298 1.00 0.00 N ATOM 885 CA LEU A 57 1.771 -1.524 4.499 1.00 0.00 C ATOM 886 C LEU A 57 2.549 -2.326 3.474 1.00 0.00 C ATOM 887 O LEU A 57 3.328 -3.198 3.838 1.00 0.00 O ATOM 888 CB LEU A 57 0.288 -1.943 4.487 1.00 0.00 C ATOM 889 CG LEU A 57 -0.722 -1.108 3.669 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.387 -1.913 2.541 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.904 -0.700 4.558 1.00 0.00 C ATOM 0 H LEU A 57 1.099 0.441 4.384 1.00 0.00 H new ATOM 0 HA LEU A 57 2.155 -1.743 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.239 -2.969 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.058 -1.957 5.521 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.146 -0.271 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.086 -1.274 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.623 -2.276 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.924 -2.760 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.612 -0.112 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.400 -1.594 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.541 -0.104 5.396 1.00 0.00 H new ATOM 903 N LEU A 58 2.360 -2.028 2.189 1.00 0.00 N ATOM 904 CA LEU A 58 3.056 -2.802 1.158 1.00 0.00 C ATOM 905 C LEU A 58 4.572 -2.632 1.137 1.00 0.00 C ATOM 906 O LEU A 58 5.232 -3.541 0.641 1.00 0.00 O ATOM 907 CB LEU A 58 2.477 -2.569 -0.232 1.00 0.00 C ATOM 908 CG LEU A 58 1.036 -3.063 -0.398 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.773 -3.287 -1.888 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.645 -4.321 0.390 1.00 0.00 C ATOM 0 H LEU A 58 1.754 -1.284 1.843 1.00 0.00 H new ATOM 0 HA LEU A 58 2.875 -3.837 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.513 -1.503 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.109 -3.069 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 58 0.411 -2.280 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.249 -3.639 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.911 -2.349 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.470 -4.032 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.397 -4.568 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.280 -5.153 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.774 -4.137 1.457 1.00 0.00 H new ATOM 922 N SER A 59 5.134 -1.541 1.660 1.00 0.00 N ATOM 923 CA SER A 59 6.580 -1.480 1.873 1.00 0.00 C ATOM 924 C SER A 59 7.025 -2.538 2.878 1.00 0.00 C ATOM 925 O SER A 59 7.890 -3.357 2.588 1.00 0.00 O ATOM 926 CB SER A 59 7.045 -0.068 2.271 1.00 0.00 C ATOM 927 OG SER A 59 8.138 0.314 1.456 1.00 0.00 O ATOM 0 H SER A 59 4.622 -0.704 1.939 1.00 0.00 H new ATOM 0 HA SER A 59 7.066 -1.704 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.226 0.642 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.337 -0.052 3.321 1.00 0.00 H new ATOM 0 HG SER A 59 8.971 -0.019 1.849 1.00 0.00 H new ATOM 933 N VAL A 60 6.408 -2.553 4.051 1.00 0.00 N ATOM 934 CA VAL A 60 6.834 -3.458 5.119 1.00 0.00 C ATOM 935 C VAL A 60 6.504 -4.916 4.751 1.00 0.00 C ATOM 936 O VAL A 60 7.323 -5.811 4.949 1.00 0.00 O ATOM 937 CB VAL A 60 6.317 -2.965 6.489 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.791 -2.953 6.641 1.00 0.00 C ATOM 939 CG2 VAL A 60 6.942 -3.755 7.643 1.00 0.00 C ATOM 0 H VAL A 60 5.617 -1.956 4.290 1.00 0.00 H new ATOM 0 HA VAL A 60 7.919 -3.446 5.225 1.00 0.00 H new ATOM 0 HB VAL A 60 6.635 -1.923 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.527 -2.592 7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.356 -2.295 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.404 -3.963 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.556 -3.381 8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.691 -4.811 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.025 -3.636 7.621 1.00 0.00 H new ATOM 949 N LEU A 61 5.351 -5.167 4.123 1.00 0.00 N ATOM 950 CA LEU A 61 4.945 -6.468 3.601 1.00 0.00 C ATOM 951 C LEU A 61 5.919 -6.956 2.526 1.00 0.00 C ATOM 952 O LEU A 61 6.077 -8.166 2.375 1.00 0.00 O ATOM 953 CB LEU A 61 3.484 -6.338 3.120 1.00 0.00 C ATOM 954 CG LEU A 61 2.890 -7.289 2.065 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.523 -7.096 0.679 1.00 0.00 C ATOM 956 CD2 LEU A 61 2.839 -8.747 2.520 1.00 0.00 C ATOM 0 H LEU A 61 4.653 -4.442 3.960 1.00 0.00 H new ATOM 0 HA LEU A 61 4.982 -7.239 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.853 -6.415 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.368 -5.326 2.733 1.00 0.00 H new ATOM 0 HG LEU A 61 1.845 -7.001 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.069 -7.790 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.355 -6.073 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.594 -7.287 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.410 -9.361 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.848 -9.095 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.223 -8.827 3.416 1.00 0.00 H new ATOM 968 N LEU A 62 6.610 -6.072 1.792 1.00 0.00 N ATOM 969 CA LEU A 62 7.560 -6.534 0.784 1.00 0.00 C ATOM 970 C LEU A 62 8.674 -7.380 1.412 1.00 0.00 C ATOM 971 O LEU A 62 9.235 -8.229 0.728 1.00 0.00 O ATOM 972 CB LEU A 62 8.106 -5.387 -0.085 1.00 0.00 C ATOM 973 CG LEU A 62 7.469 -5.386 -1.485 1.00 0.00 C ATOM 974 CD1 LEU A 62 7.710 -4.050 -2.189 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.023 -6.532 -2.346 1.00 0.00 C ATOM 0 H LEU A 62 6.529 -5.059 1.877 1.00 0.00 H new ATOM 0 HA LEU A 62 7.011 -7.184 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.910 -4.433 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.188 -5.482 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 62 6.396 -5.532 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.251 -4.072 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.269 -3.245 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.782 -3.880 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.555 -6.507 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.102 -6.417 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.806 -7.486 -1.865 1.00 0.00 H new ATOM 987 N SER A 63 8.936 -7.223 2.716 1.00 0.00 N ATOM 988 CA SER A 63 9.915 -7.977 3.486 1.00 0.00 C ATOM 989 C SER A 63 9.633 -9.478 3.397 1.00 0.00 C ATOM 990 O SER A 63 10.426 -10.238 2.837 1.00 0.00 O ATOM 991 CB SER A 63 9.891 -7.453 4.925 1.00 0.00 C ATOM 992 OG SER A 63 10.961 -7.946 5.708 1.00 0.00 O ATOM 0 H SER A 63 8.444 -6.532 3.283 1.00 0.00 H new ATOM 0 HA SER A 63 10.917 -7.838 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.930 -6.364 4.910 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.947 -7.732 5.392 1.00 0.00 H new ATOM 0 HG SER A 63 10.899 -7.580 6.615 1.00 0.00 H new ATOM 998 N MET A 64 8.484 -9.915 3.909 1.00 0.00 N ATOM 999 CA MET A 64 8.084 -11.317 3.851 1.00 0.00 C ATOM 1000 C MET A 64 7.938 -11.782 2.407 1.00 0.00 C ATOM 1001 O MET A 64 8.169 -12.945 2.089 1.00 0.00 O ATOM 1002 CB MET A 64 6.781 -11.573 4.618 1.00 0.00 C ATOM 1003 CG MET A 64 5.593 -10.803 4.031 1.00 0.00 C ATOM 1004 SD MET A 64 4.024 -10.973 4.916 1.00 0.00 S ATOM 1005 CE MET A 64 4.427 -10.034 6.408 1.00 0.00 C ATOM 0 H MET A 64 7.808 -9.309 4.374 1.00 0.00 H new ATOM 0 HA MET A 64 8.875 -11.893 4.331 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.560 -12.640 4.606 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.915 -11.287 5.661 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.854 -9.745 3.993 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.445 -11.132 3.002 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.519 -9.863 6.987 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.141 -10.596 7.010 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.864 -9.076 6.128 1.00 0.00 H new ATOM 1015 N GLN A 65 7.562 -10.861 1.520 1.00 0.00 N ATOM 1016 CA GLN A 65 7.404 -11.163 0.120 1.00 0.00 C ATOM 1017 C GLN A 65 8.745 -11.431 -0.580 1.00 0.00 C ATOM 1018 O GLN A 65 8.717 -11.808 -1.752 1.00 0.00 O ATOM 1019 CB GLN A 65 6.686 -10.003 -0.576 1.00 0.00 C ATOM 1020 CG GLN A 65 5.211 -10.266 -0.883 1.00 0.00 C ATOM 1021 CD GLN A 65 4.914 -11.363 -1.910 1.00 0.00 C ATOM 1022 OE1 GLN A 65 3.753 -11.720 -2.071 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.900 -11.904 -2.612 1.00 0.00 N ATOM 0 H GLN A 65 7.362 -9.891 1.763 1.00 0.00 H new ATOM 0 HA GLN A 65 6.812 -12.076 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.761 -9.116 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.204 -9.778 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.709 -10.526 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.765 -9.337 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.861 -11.594 -2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.698 -12.630 -3.300 1.00 0.00 H new ATOM 1032 N GLY A 66 9.898 -11.201 0.060 1.00 0.00 N ATOM 1033 CA GLY A 66 11.214 -11.390 -0.537 1.00 0.00 C ATOM 1034 C GLY A 66 12.093 -10.139 -0.533 1.00 0.00 C ATOM 1035 O GLY A 66 12.953 -9.992 -1.409 1.00 0.00 O ATOM 0 H GLY A 66 9.937 -10.872 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.732 -12.185 -0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.088 -11.728 -1.566 1.00 0.00 H new ATOM 1039 N ALA A 67 11.893 -9.213 0.407 1.00 0.00 N ATOM 1040 CA ALA A 67 12.819 -8.097 0.596 1.00 0.00 C ATOM 1041 C ALA A 67 13.530 -8.240 1.937 1.00 0.00 C ATOM 1042 O ALA A 67 13.027 -8.880 2.861 1.00 0.00 O ATOM 1043 CB ALA A 67 12.091 -6.757 0.463 1.00 0.00 C ATOM 0 H ALA A 67 11.099 -9.215 1.048 1.00 0.00 H new ATOM 0 HA ALA A 67 13.577 -8.119 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.800 -5.942 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.648 -6.681 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.306 -6.693 1.217 1.00 0.00 H new ATOM 1049 N VAL A 68 14.709 -7.644 2.054 1.00 0.00 N ATOM 1050 CA VAL A 68 15.421 -7.495 3.321 1.00 0.00 C ATOM 1051 C VAL A 68 15.666 -6.010 3.619 1.00 0.00 C ATOM 1052 O VAL A 68 15.630 -5.592 4.783 1.00 0.00 O ATOM 1053 CB VAL A 68 16.654 -8.425 3.329 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.597 -8.210 2.133 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.404 -8.345 4.664 1.00 0.00 C ATOM 0 H VAL A 68 15.208 -7.243 1.260 1.00 0.00 H new ATOM 0 HA VAL A 68 14.823 -7.830 4.169 1.00 0.00 H new ATOM 0 HB VAL A 68 16.267 -9.438 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.440 -8.898 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.056 -8.396 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.964 -7.184 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.266 -9.011 4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.741 -7.322 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.739 -8.645 5.474 1.00 0.00 H new ATOM 1065 N ASP A 69 15.818 -5.196 2.569 1.00 0.00 N ATOM 1066 CA ASP A 69 15.839 -3.747 2.654 1.00 0.00 C ATOM 1067 C ASP A 69 14.385 -3.275 2.574 1.00 0.00 C ATOM 1068 O ASP A 69 13.639 -3.469 3.531 1.00 0.00 O ATOM 1069 CB ASP A 69 16.750 -3.174 1.557 1.00 0.00 C ATOM 1070 CG ASP A 69 18.232 -3.496 1.729 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.732 -4.539 1.236 1.00 0.00 O ATOM 1072 OD2 ASP A 69 18.935 -2.650 2.316 1.00 0.00 O ATOM 0 H ASP A 69 15.932 -5.543 1.617 1.00 0.00 H new ATOM 0 HA ASP A 69 16.262 -3.386 3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.418 -3.556 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.628 -2.091 1.530 1.00 0.00 H new ATOM 1077 N ILE A 70 13.963 -2.702 1.443 1.00 0.00 N ATOM 1078 CA ILE A 70 12.726 -2.008 1.094 1.00 0.00 C ATOM 1079 C ILE A 70 12.311 -0.977 2.139 1.00 0.00 C ATOM 1080 O ILE A 70 11.170 -0.524 2.178 1.00 0.00 O ATOM 1081 CB ILE A 70 11.613 -2.960 0.607 1.00 0.00 C ATOM 1082 CG1 ILE A 70 10.548 -2.250 -0.274 1.00 0.00 C ATOM 1083 CG2 ILE A 70 10.986 -3.708 1.795 1.00 0.00 C ATOM 1084 CD1 ILE A 70 11.054 -1.843 -1.666 1.00 0.00 C ATOM 0 H ILE A 70 14.580 -2.720 0.631 1.00 0.00 H new ATOM 0 HA ILE A 70 12.938 -1.404 0.211 1.00 0.00 H new ATOM 0 HB ILE A 70 12.080 -3.697 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.689 -2.911 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.196 -1.360 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.203 -4.375 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.753 -4.292 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.556 -2.989 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.250 -1.354 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.893 -1.155 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.378 -2.731 -2.209 1.00 0.00 H new ATOM 1096 N ASN A 71 13.260 -0.592 2.982 1.00 0.00 N ATOM 1097 CA ASN A 71 13.029 0.282 4.088 1.00 0.00 C ATOM 1098 C ASN A 71 13.891 1.498 3.881 1.00 0.00 C ATOM 1099 O ASN A 71 13.390 2.453 3.315 1.00 0.00 O ATOM 1100 CB ASN A 71 13.177 -0.443 5.424 1.00 0.00 C ATOM 1101 CG ASN A 71 11.906 -1.200 5.776 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.949 -0.616 6.258 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.863 -2.503 5.571 1.00 0.00 N ATOM 0 H ASN A 71 14.230 -0.895 2.900 1.00 0.00 H new ATOM 0 HA ASN A 71 11.996 0.628 4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.016 -1.137 5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.405 0.277 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.025 -3.030 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.668 -2.983 5.168 1.00 0.00 H new ATOM 1110 N ARG A 72 15.184 1.463 4.211 1.00 0.00 N ATOM 1111 CA ARG A 72 16.006 2.679 4.170 1.00 0.00 C ATOM 1112 C ARG A 72 16.107 3.282 2.764 1.00 0.00 C ATOM 1113 O ARG A 72 15.702 4.407 2.539 1.00 0.00 O ATOM 1114 CB ARG A 72 17.365 2.414 4.787 1.00 0.00 C ATOM 1115 CG ARG A 72 17.264 1.990 6.258 1.00 0.00 C ATOM 1116 CD ARG A 72 16.094 2.500 7.116 1.00 0.00 C ATOM 1117 NE ARG A 72 16.236 2.003 8.491 1.00 0.00 N ATOM 1118 CZ ARG A 72 15.283 1.834 9.414 1.00 0.00 C ATOM 1119 NH1 ARG A 72 14.017 2.148 9.198 1.00 0.00 N ATOM 1120 NH2 ARG A 72 15.615 1.321 10.586 1.00 0.00 N ATOM 0 H ARG A 72 15.680 0.622 4.505 1.00 0.00 H new ATOM 0 HA ARG A 72 15.505 3.438 4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.873 1.634 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.977 3.313 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.236 0.901 6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.187 2.296 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.076 3.590 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.147 2.164 6.694 1.00 0.00 H new ATOM 0 HE ARG A 72 17.183 1.755 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.734 2.536 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.323 2.002 9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.584 1.062 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.903 1.184 11.303 1.00 0.00 H new ATOM 1134 N LEU A 73 16.508 2.519 1.754 1.00 0.00 N ATOM 1135 CA LEU A 73 16.509 2.936 0.353 1.00 0.00 C ATOM 1136 C LEU A 73 15.096 3.162 -0.232 1.00 0.00 C ATOM 1137 O LEU A 73 14.955 3.406 -1.432 1.00 0.00 O ATOM 1138 CB LEU A 73 17.344 1.908 -0.425 1.00 0.00 C ATOM 1139 CG LEU A 73 16.672 0.551 -0.675 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.741 -0.496 -1.009 1.00 0.00 C ATOM 1141 CD2 LEU A 73 15.792 -0.017 0.442 1.00 0.00 C ATOM 0 H LEU A 73 16.851 1.568 1.888 1.00 0.00 H new ATOM 0 HA LEU A 73 16.962 3.923 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.613 2.341 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.273 1.737 0.119 1.00 0.00 H new ATOM 0 HG LEU A 73 15.988 0.758 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.264 -1.460 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.283 -0.190 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.437 -0.584 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.383 -0.978 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.390 -0.153 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.976 0.675 0.650 1.00 0.00 H new ATOM 1153 N CYS A 74 14.037 2.985 0.570 1.00 0.00 N ATOM 1154 CA CYS A 74 12.645 3.246 0.228 1.00 0.00 C ATOM 1155 C CYS A 74 12.102 4.444 1.013 1.00 0.00 C ATOM 1156 O CYS A 74 11.155 5.070 0.540 1.00 0.00 O ATOM 1157 CB CYS A 74 11.785 1.989 0.399 1.00 0.00 C ATOM 1158 SG CYS A 74 10.354 2.130 -0.717 1.00 0.00 S ATOM 0 H CYS A 74 14.141 2.637 1.523 1.00 0.00 H new ATOM 0 HA CYS A 74 12.596 3.513 -0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.365 1.096 0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.454 1.892 1.433 1.00 0.00 H new ATOM 0 HG CYS A 74 9.328 1.534 -0.185 1.00 0.00 H new ATOM 1164 N GLU A 75 12.693 4.830 2.152 1.00 0.00 N ATOM 1165 CA GLU A 75 12.284 5.978 2.954 1.00 0.00 C ATOM 1166 C GLU A 75 12.465 7.265 2.146 1.00 0.00 C ATOM 1167 O GLU A 75 11.774 8.258 2.346 1.00 0.00 O ATOM 1168 CB GLU A 75 13.048 5.987 4.289 1.00 0.00 C ATOM 1169 CG GLU A 75 14.515 6.412 4.215 1.00 0.00 C ATOM 1170 CD GLU A 75 14.877 7.695 4.947 1.00 0.00 C ATOM 1171 OE1 GLU A 75 14.508 7.851 6.134 1.00 0.00 O ATOM 1172 OE2 GLU A 75 15.643 8.482 4.348 1.00 0.00 O ATOM 0 H GLU A 75 13.492 4.334 2.547 1.00 0.00 H new ATOM 0 HA GLU A 75 11.225 5.907 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.530 6.655 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.001 4.987 4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.127 5.604 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.786 6.527 3.166 1.00 0.00 H new ATOM 1179 N GLU A 76 13.302 7.191 1.120 1.00 0.00 N ATOM 1180 CA GLU A 76 13.536 8.251 0.161 1.00 0.00 C ATOM 1181 C GLU A 76 12.301 8.495 -0.726 1.00 0.00 C ATOM 1182 O GLU A 76 12.270 9.470 -1.475 1.00 0.00 O ATOM 1183 CB GLU A 76 14.753 7.880 -0.700 1.00 0.00 C ATOM 1184 CG GLU A 76 16.077 7.938 0.071 1.00 0.00 C ATOM 1185 CD GLU A 76 17.250 7.567 -0.841 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.677 8.431 -1.648 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.728 6.418 -0.760 1.00 0.00 O ATOM 0 H GLU A 76 13.856 6.356 0.930 1.00 0.00 H new ATOM 0 HA GLU A 76 13.731 9.178 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.615 6.875 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.807 8.556 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.226 8.940 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.040 7.255 0.920 1.00 0.00 H new ATOM 1194 N MET A 77 11.278 7.633 -0.676 1.00 0.00 N ATOM 1195 CA MET A 77 9.927 7.855 -1.196 1.00 0.00 C ATOM 1196 C MET A 77 8.840 7.731 -0.138 1.00 0.00 C ATOM 1197 O MET A 77 7.697 8.047 -0.451 1.00 0.00 O ATOM 1198 CB MET A 77 9.592 6.899 -2.346 1.00 0.00 C ATOM 1199 CG MET A 77 10.718 6.698 -3.362 1.00 0.00 C ATOM 1200 SD MET A 77 11.822 5.336 -2.912 1.00 0.00 S ATOM 1201 CE MET A 77 13.349 5.951 -3.646 1.00 0.00 C ATOM 0 H MET A 77 11.378 6.713 -0.248 1.00 0.00 H new ATOM 0 HA MET A 77 9.939 8.884 -1.556 1.00 0.00 H new ATOM 0 HB2 MET A 77 9.322 5.930 -1.927 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.713 7.276 -2.869 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.287 6.503 -4.344 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.296 7.618 -3.445 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.156 5.244 -3.453 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.216 6.064 -4.722 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.600 6.917 -3.208 1.00 0.00 H new ATOM 1211 N LEU A 78 9.126 7.218 1.057 1.00 0.00 N ATOM 1212 CA LEU A 78 8.112 7.061 2.094 1.00 0.00 C ATOM 1213 C LEU A 78 8.253 8.233 3.031 1.00 0.00 C ATOM 1214 O LEU A 78 7.362 9.061 3.105 1.00 0.00 O ATOM 1215 CB LEU A 78 8.209 5.740 2.856 1.00 0.00 C ATOM 1216 CG LEU A 78 8.255 4.496 1.944 1.00 0.00 C ATOM 1217 CD1 LEU A 78 9.211 3.448 2.509 1.00 0.00 C ATOM 1218 CD2 LEU A 78 6.868 3.906 1.711 1.00 0.00 C ATOM 0 H LEU A 78 10.057 6.903 1.331 1.00 0.00 H new ATOM 0 HA LEU A 78 7.130 7.037 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.103 5.756 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.355 5.655 3.527 1.00 0.00 H new ATOM 0 HG LEU A 78 8.631 4.817 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.229 2.579 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.213 3.870 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.874 3.145 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.948 3.033 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.433 3.611 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.230 4.652 1.236 1.00 0.00 H new ATOM 1230 N ASP A 79 9.395 8.382 3.683 1.00 0.00 N ATOM 1231 CA ASP A 79 9.627 9.540 4.526 1.00 0.00 C ATOM 1232 C ASP A 79 9.513 10.790 3.678 1.00 0.00 C ATOM 1233 O ASP A 79 8.681 11.647 3.920 1.00 0.00 O ATOM 1234 CB ASP A 79 10.976 9.460 5.234 1.00 0.00 C ATOM 1235 CG ASP A 79 10.756 10.015 6.629 1.00 0.00 C ATOM 1236 OD1 ASP A 79 10.151 9.251 7.423 1.00 0.00 O ATOM 1237 OD2 ASP A 79 11.089 11.197 6.861 1.00 0.00 O ATOM 0 H ASP A 79 10.170 7.720 3.644 1.00 0.00 H new ATOM 0 HA ASP A 79 8.873 9.569 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.333 8.431 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.731 10.037 4.700 1.00 0.00 H new ATOM 1242 N ASN A 80 10.205 10.816 2.549 1.00 0.00 N ATOM 1243 CA ASN A 80 10.120 11.864 1.537 1.00 0.00 C ATOM 1244 C ASN A 80 8.763 11.936 0.810 1.00 0.00 C ATOM 1245 O ASN A 80 8.626 12.651 -0.183 1.00 0.00 O ATOM 1246 CB ASN A 80 11.199 11.528 0.531 1.00 0.00 C ATOM 1247 CG ASN A 80 11.621 12.655 -0.400 1.00 0.00 C ATOM 1248 OD1 ASN A 80 11.443 13.845 -0.148 1.00 0.00 O ATOM 1249 ND2 ASN A 80 12.279 12.297 -1.484 1.00 0.00 N ATOM 0 H ASN A 80 10.867 10.081 2.301 1.00 0.00 H new ATOM 0 HA ASN A 80 10.239 12.835 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.079 11.184 1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.853 10.692 -0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.643 13.008 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.424 11.308 -1.689 1.00 0.00 H new ATOM 1256 N ARG A 81 7.756 11.150 1.202 1.00 0.00 N ATOM 1257 CA ARG A 81 6.375 11.374 0.771 1.00 0.00 C ATOM 1258 C ARG A 81 5.831 12.602 1.481 1.00 0.00 C ATOM 1259 O ARG A 81 5.270 13.492 0.842 1.00 0.00 O ATOM 1260 CB ARG A 81 5.464 10.168 1.096 1.00 0.00 C ATOM 1261 CG ARG A 81 4.374 10.024 0.039 1.00 0.00 C ATOM 1262 CD ARG A 81 4.947 9.157 -1.079 1.00 0.00 C ATOM 1263 NE ARG A 81 4.235 9.326 -2.359 1.00 0.00 N ATOM 1264 CZ ARG A 81 4.808 9.291 -3.571 1.00 0.00 C ATOM 1265 NH1 ARG A 81 6.133 9.271 -3.701 1.00 0.00 N ATOM 1266 NH2 ARG A 81 4.063 9.279 -4.676 1.00 0.00 N ATOM 0 H ARG A 81 7.874 10.348 1.821 1.00 0.00 H new ATOM 0 HA ARG A 81 6.379 11.513 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.059 9.256 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.011 10.301 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.482 9.564 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.077 11.000 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.000 9.403 -1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.902 8.110 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 81 3.228 9.482 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.727 9.282 -2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.554 9.244 -4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.046 9.297 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.510 9.252 -5.592 1.00 0.00 H new ATOM 1280 N ALA A 82 5.936 12.587 2.808 1.00 0.00 N ATOM 1281 CA ALA A 82 5.165 13.443 3.704 1.00 0.00 C ATOM 1282 C ALA A 82 5.931 13.840 4.968 1.00 0.00 C ATOM 1283 O ALA A 82 5.341 14.381 5.900 1.00 0.00 O ATOM 1284 CB ALA A 82 3.878 12.698 4.077 1.00 0.00 C ATOM 0 H ALA A 82 6.575 11.964 3.301 1.00 0.00 H new ATOM 0 HA ALA A 82 4.948 14.375 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.281 13.316 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.306 12.485 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.131 11.762 4.575 1.00 0.00 H new ATOM 1290 N THR A 83 7.221 13.526 5.051 1.00 0.00 N ATOM 1291 CA THR A 83 8.024 13.487 6.276 1.00 0.00 C ATOM 1292 C THR A 83 7.417 12.601 7.379 1.00 0.00 C ATOM 1293 O THR A 83 7.752 12.753 8.553 1.00 0.00 O ATOM 1294 CB THR A 83 8.435 14.916 6.680 1.00 0.00 C ATOM 1295 OG1 THR A 83 7.336 15.789 6.917 1.00 0.00 O ATOM 1296 CG2 THR A 83 9.245 15.551 5.539 1.00 0.00 C ATOM 0 H THR A 83 7.765 13.279 4.225 1.00 0.00 H new ATOM 0 HA THR A 83 8.959 12.963 6.079 1.00 0.00 H new ATOM 0 HB THR A 83 9.000 14.807 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.506 15.269 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.538 16.562 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.137 14.954 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.635 15.588 4.636 1.00 0.00 H new ATOM 1304 N LEU A 84 6.512 11.688 7.006 1.00 0.00 N ATOM 1305 CA LEU A 84 5.729 10.874 7.927 1.00 0.00 C ATOM 1306 C LEU A 84 5.418 9.521 7.277 1.00 0.00 C ATOM 1307 O LEU A 84 6.063 8.529 7.625 1.00 0.00 O ATOM 1308 CB LEU A 84 4.458 11.651 8.342 1.00 0.00 C ATOM 1309 CG LEU A 84 3.979 11.375 9.780 1.00 0.00 C ATOM 1310 CD1 LEU A 84 3.998 9.900 10.194 1.00 0.00 C ATOM 1311 CD2 LEU A 84 4.794 12.206 10.766 1.00 0.00 C ATOM 0 H LEU A 84 6.303 11.494 6.027 1.00 0.00 H new ATOM 0 HA LEU A 84 6.292 10.668 8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.650 12.719 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.653 11.401 7.651 1.00 0.00 H new ATOM 0 HG LEU A 84 2.929 11.667 9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.644 9.806 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.348 9.328 9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.016 9.515 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.451 12.006 11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.848 11.941 10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.667 13.265 10.542 1.00 0.00 H new ATOM 1323 N GLN A 85 4.524 9.526 6.277 1.00 0.00 N ATOM 1324 CA GLN A 85 3.892 8.428 5.546 1.00 0.00 C ATOM 1325 C GLN A 85 3.382 7.294 6.433 1.00 0.00 C ATOM 1326 O GLN A 85 2.931 6.262 5.904 1.00 0.00 O ATOM 1327 CB GLN A 85 4.873 7.979 4.457 1.00 0.00 C ATOM 1328 CG GLN A 85 4.295 7.193 3.273 1.00 0.00 C ATOM 1329 CD GLN A 85 4.435 5.681 3.459 1.00 0.00 C ATOM 1330 OE1 GLN A 85 3.733 4.925 2.650 1.00 0.00 O flip ATOM 1331 NE2 GLN A 85 5.199 5.145 4.257 1.00 0.00 N flip ATOM 0 H GLN A 85 4.187 10.420 5.919 1.00 0.00 H new ATOM 0 HA GLN A 85 2.971 8.783 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.370 8.866 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.642 7.365 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.242 7.446 3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.804 7.493 2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.754 5.716 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.279 4.128 4.282 1.00 0.00 H new