USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 451 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 18 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Set 1.2: A 36 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.036) USER MOD Single : A 14 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.5!) USER MOD Single : A 16 SER OG : rot -73:sc= 0.808 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 30 THR OG1 : rot 94:sc= 1.22 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.27) USER MOD Single : A 42 GLN : amide:sc= -0.0611 X(o=-0.061,f=-0.061) USER MOD Single : A 44 ASN : amide:sc= 0.381 K(o=0.38,f=-1.4) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 61 GLN : amide:sc=-0.000661 X(o=-0.00066,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.269 2.789 -2.096 1.00 0.00 N ATOM 2 CA MET A 1 -26.890 2.496 -2.507 1.00 0.00 C ATOM 3 C MET A 1 -25.990 3.605 -1.995 1.00 0.00 C ATOM 4 O MET A 1 -26.186 4.757 -2.367 1.00 0.00 O ATOM 5 CB MET A 1 -26.795 2.371 -4.038 1.00 0.00 C ATOM 6 CG MET A 1 -25.355 2.190 -4.529 1.00 0.00 C ATOM 7 SD MET A 1 -25.212 2.100 -6.331 1.00 0.00 S ATOM 8 CE MET A 1 -23.409 2.015 -6.502 1.00 0.00 C ATOM 0 H1 MET A 1 -28.901 2.037 -2.439 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.319 2.836 -1.058 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.565 3.701 -2.499 1.00 0.00 H new ATOM 0 HA MET A 1 -26.571 1.543 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.396 1.523 -4.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.222 3.262 -4.498 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.749 3.020 -4.165 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.943 1.279 -4.094 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.146 1.955 -7.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.960 2.908 -6.067 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.036 1.132 -5.984 1.00 0.00 H new ATOM 18 N GLU A 2 -25.030 3.279 -1.135 1.00 0.00 N ATOM 19 CA GLU A 2 -24.079 4.224 -0.577 1.00 0.00 C ATOM 20 C GLU A 2 -22.789 3.420 -0.512 1.00 0.00 C ATOM 21 O GLU A 2 -22.741 2.375 0.139 1.00 0.00 O ATOM 22 CB GLU A 2 -24.540 4.753 0.793 1.00 0.00 C ATOM 23 CG GLU A 2 -23.691 5.934 1.304 1.00 0.00 C ATOM 24 CD GLU A 2 -23.802 7.216 0.465 1.00 0.00 C ATOM 25 OE1 GLU A 2 -24.707 7.347 -0.385 1.00 0.00 O ATOM 26 OE2 GLU A 2 -22.953 8.126 0.630 1.00 0.00 O ATOM 0 H GLU A 2 -24.892 2.325 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 2 -23.964 5.130 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -25.582 5.066 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -24.499 3.943 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.987 6.160 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.646 5.626 1.335 1.00 0.00 H new ATOM 33 N GLU A 3 -21.775 3.853 -1.249 1.00 0.00 N ATOM 34 CA GLU A 3 -20.475 3.198 -1.321 1.00 0.00 C ATOM 35 C GLU A 3 -19.416 4.181 -0.797 1.00 0.00 C ATOM 36 O GLU A 3 -19.740 5.312 -0.407 1.00 0.00 O ATOM 37 CB GLU A 3 -20.191 2.827 -2.784 1.00 0.00 C ATOM 38 CG GLU A 3 -21.303 2.106 -3.569 1.00 0.00 C ATOM 39 CD GLU A 3 -21.698 0.724 -3.056 1.00 0.00 C ATOM 40 OE1 GLU A 3 -20.842 -0.015 -2.530 1.00 0.00 O ATOM 41 OE2 GLU A 3 -22.874 0.359 -3.277 1.00 0.00 O ATOM 0 H GLU A 3 -21.835 4.691 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.456 2.290 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.942 3.743 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.303 2.195 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -22.190 2.739 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.983 2.008 -4.606 1.00 0.00 H new ATOM 48 N VAL A 4 -18.155 3.767 -0.744 1.00 0.00 N ATOM 49 CA VAL A 4 -17.030 4.580 -0.294 1.00 0.00 C ATOM 50 C VAL A 4 -15.956 4.548 -1.379 1.00 0.00 C ATOM 51 O VAL A 4 -16.040 3.758 -2.323 1.00 0.00 O ATOM 52 CB VAL A 4 -16.470 4.098 1.070 1.00 0.00 C ATOM 53 CG1 VAL A 4 -17.456 4.311 2.224 1.00 0.00 C ATOM 54 CG2 VAL A 4 -16.033 2.629 1.081 1.00 0.00 C ATOM 0 H VAL A 4 -17.878 2.826 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.368 5.604 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.588 4.722 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.011 3.956 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -17.686 5.373 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.373 3.757 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.654 2.370 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.886 1.994 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.248 2.477 0.340 1.00 0.00 H new ATOM 64 N THR A 5 -14.949 5.404 -1.226 1.00 0.00 N ATOM 65 CA THR A 5 -13.820 5.506 -2.127 1.00 0.00 C ATOM 66 C THR A 5 -12.613 5.530 -1.203 1.00 0.00 C ATOM 67 O THR A 5 -12.396 6.517 -0.495 1.00 0.00 O ATOM 68 CB THR A 5 -13.906 6.730 -3.047 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.204 6.839 -3.607 1.00 0.00 O ATOM 70 CG2 THR A 5 -12.841 6.616 -4.139 1.00 0.00 C ATOM 0 H THR A 5 -14.901 6.061 -0.448 1.00 0.00 H new ATOM 0 HA THR A 5 -13.773 4.675 -2.831 1.00 0.00 H new ATOM 0 HB THR A 5 -13.721 7.635 -2.468 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.244 7.626 -4.190 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.899 7.484 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.853 6.573 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.011 5.710 -4.720 1.00 0.00 H new ATOM 78 N ILE A 6 -11.903 4.412 -1.111 1.00 0.00 N ATOM 79 CA ILE A 6 -10.734 4.275 -0.268 1.00 0.00 C ATOM 80 C ILE A 6 -9.530 4.661 -1.122 1.00 0.00 C ATOM 81 O ILE A 6 -9.287 4.076 -2.178 1.00 0.00 O ATOM 82 CB ILE A 6 -10.670 2.856 0.338 1.00 0.00 C ATOM 83 CG1 ILE A 6 -11.940 2.624 1.196 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.389 2.703 1.170 1.00 0.00 C ATOM 85 CD1 ILE A 6 -11.941 1.349 2.042 1.00 0.00 C ATOM 0 H ILE A 6 -12.132 3.565 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.761 4.935 0.599 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.641 2.105 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.070 3.479 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.805 2.600 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.349 1.700 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.520 2.862 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.388 3.438 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.874 1.285 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.848 0.480 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.102 1.373 2.737 1.00 0.00 H new ATOM 97 N LYS A 7 -8.782 5.666 -0.675 1.00 0.00 N ATOM 98 CA LYS A 7 -7.602 6.174 -1.352 1.00 0.00 C ATOM 99 C LYS A 7 -6.446 5.366 -0.782 1.00 0.00 C ATOM 100 O LYS A 7 -5.992 5.640 0.337 1.00 0.00 O ATOM 101 CB LYS A 7 -7.471 7.693 -1.108 1.00 0.00 C ATOM 102 CG LYS A 7 -6.249 8.266 -1.841 1.00 0.00 C ATOM 103 CD LYS A 7 -6.032 9.775 -1.780 1.00 0.00 C ATOM 104 CE LYS A 7 -6.094 10.331 -0.357 1.00 0.00 C ATOM 105 NZ LYS A 7 -5.865 11.789 -0.323 1.00 0.00 N ATOM 0 H LYS A 7 -8.989 6.160 0.193 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.637 6.062 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.374 8.199 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.382 7.887 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.359 7.782 -1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.322 7.979 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.062 10.015 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.787 10.270 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.068 10.107 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.347 9.832 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.915 12.126 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.925 12.002 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.593 12.268 -0.891 1.00 0.00 H new ATOM 119 N ALA A 8 -6.088 4.277 -1.463 1.00 0.00 N ATOM 120 CA ALA A 8 -4.997 3.425 -1.044 1.00 0.00 C ATOM 121 C ALA A 8 -3.720 3.971 -1.667 1.00 0.00 C ATOM 122 O ALA A 8 -3.479 3.878 -2.873 1.00 0.00 O ATOM 123 CB ALA A 8 -5.275 1.983 -1.463 1.00 0.00 C ATOM 0 H ALA A 8 -6.551 3.969 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.888 3.421 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.450 1.346 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.199 1.640 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.375 1.932 -2.547 1.00 0.00 H new ATOM 129 N ASN A 9 -2.885 4.523 -0.800 1.00 0.00 N ATOM 130 CA ASN A 9 -1.606 5.109 -1.132 1.00 0.00 C ATOM 131 C ASN A 9 -0.598 3.987 -0.977 1.00 0.00 C ATOM 132 O ASN A 9 -0.603 3.308 0.051 1.00 0.00 O ATOM 133 CB ASN A 9 -1.250 6.228 -0.145 1.00 0.00 C ATOM 134 CG ASN A 9 -2.378 7.213 0.117 1.00 0.00 C ATOM 135 OD1 ASN A 9 -2.628 8.135 -0.647 1.00 0.00 O ATOM 136 ND2 ASN A 9 -3.094 7.065 1.213 1.00 0.00 N ATOM 0 H ASN A 9 -3.095 4.574 0.197 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.618 5.537 -2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.948 5.779 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.388 6.774 -0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.851 7.717 1.420 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.891 6.299 1.855 1.00 0.00 H new ATOM 143 N LEU A 10 0.264 3.787 -1.965 1.00 0.00 N ATOM 144 CA LEU A 10 1.289 2.760 -1.961 1.00 0.00 C ATOM 145 C LEU A 10 2.645 3.443 -2.076 1.00 0.00 C ATOM 146 O LEU A 10 2.848 4.283 -2.960 1.00 0.00 O ATOM 147 CB LEU A 10 1.081 1.773 -3.119 1.00 0.00 C ATOM 148 CG LEU A 10 -0.276 1.035 -3.084 1.00 0.00 C ATOM 149 CD1 LEU A 10 -1.242 1.605 -4.132 1.00 0.00 C ATOM 150 CD2 LEU A 10 -0.098 -0.465 -3.339 1.00 0.00 C ATOM 0 H LEU A 10 0.267 4.352 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 10 1.235 2.188 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.164 2.313 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.884 1.036 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.693 1.184 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.189 1.067 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.415 2.662 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.809 1.491 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.070 -0.957 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.354 -0.616 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.549 -0.890 -2.571 1.00 0.00 H new ATOM 162 N ILE A 11 3.579 3.103 -1.198 1.00 0.00 N ATOM 163 CA ILE A 11 4.928 3.646 -1.191 1.00 0.00 C ATOM 164 C ILE A 11 5.833 2.437 -1.288 1.00 0.00 C ATOM 165 O ILE A 11 5.876 1.612 -0.372 1.00 0.00 O ATOM 166 CB ILE A 11 5.222 4.537 0.034 1.00 0.00 C ATOM 167 CG1 ILE A 11 4.264 5.750 0.112 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.678 5.043 -0.014 1.00 0.00 C ATOM 169 CD1 ILE A 11 3.002 5.520 0.943 1.00 0.00 C ATOM 0 H ILE A 11 3.414 2.426 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 11 5.088 4.330 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 11 5.068 3.924 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.807 6.597 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.970 6.028 -0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.874 5.671 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.359 4.192 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.831 5.624 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.394 6.425 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.430 4.696 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.281 5.275 1.968 1.00 0.00 H new ATOM 181 N PHE A 12 6.429 2.258 -2.462 1.00 0.00 N ATOM 182 CA PHE A 12 7.342 1.166 -2.724 1.00 0.00 C ATOM 183 C PHE A 12 8.640 1.448 -1.963 1.00 0.00 C ATOM 184 O PHE A 12 8.886 2.580 -1.543 1.00 0.00 O ATOM 185 CB PHE A 12 7.596 1.073 -4.233 1.00 0.00 C ATOM 186 CG PHE A 12 6.336 0.980 -5.076 1.00 0.00 C ATOM 187 CD1 PHE A 12 5.458 -0.107 -4.916 1.00 0.00 C ATOM 188 CD2 PHE A 12 6.044 1.965 -6.038 1.00 0.00 C ATOM 189 CE1 PHE A 12 4.322 -0.231 -5.732 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.909 1.842 -6.856 1.00 0.00 C ATOM 191 CZ PHE A 12 4.053 0.738 -6.713 1.00 0.00 C ATOM 0 H PHE A 12 6.287 2.875 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 12 6.927 0.214 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.166 1.947 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.217 0.199 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.659 -0.852 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.696 2.819 -6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.655 -1.071 -5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.694 2.598 -7.597 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.191 0.634 -7.355 1.00 0.00 H new ATOM 201 N ALA A 13 9.448 0.426 -1.704 1.00 0.00 N ATOM 202 CA ALA A 13 10.735 0.591 -1.033 1.00 0.00 C ATOM 203 C ALA A 13 11.783 0.981 -2.089 1.00 0.00 C ATOM 204 O ALA A 13 12.898 1.373 -1.755 1.00 0.00 O ATOM 205 CB ALA A 13 11.128 -0.712 -0.333 1.00 0.00 C ATOM 0 H ALA A 13 9.231 -0.539 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 13 10.672 1.373 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.089 -0.582 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.369 -0.972 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.207 -1.511 -1.070 1.00 0.00 H new ATOM 211 N ASN A 14 11.418 0.882 -3.373 1.00 0.00 N ATOM 212 CA ASN A 14 12.261 1.194 -4.509 1.00 0.00 C ATOM 213 C ASN A 14 12.191 2.683 -4.892 1.00 0.00 C ATOM 214 O ASN A 14 12.119 3.005 -6.085 1.00 0.00 O ATOM 215 CB ASN A 14 11.934 0.245 -5.678 1.00 0.00 C ATOM 216 CG ASN A 14 13.064 0.195 -6.705 1.00 0.00 C ATOM 217 OD1 ASN A 14 14.157 0.715 -6.496 1.00 0.00 O ATOM 218 ND2 ASN A 14 12.843 -0.468 -7.825 1.00 0.00 N ATOM 0 H ASN A 14 10.487 0.569 -3.649 1.00 0.00 H new ATOM 0 HA ASN A 14 13.302 1.025 -4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.750 -0.757 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.015 0.572 -6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.582 -0.551 -8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.933 -0.897 -7.992 1.00 0.00 H new ATOM 225 N GLY A 15 12.089 3.586 -3.905 1.00 0.00 N ATOM 226 CA GLY A 15 12.053 5.036 -4.082 1.00 0.00 C ATOM 227 C GLY A 15 11.066 5.503 -5.138 1.00 0.00 C ATOM 228 O GLY A 15 11.434 6.224 -6.067 1.00 0.00 O ATOM 0 H GLY A 15 12.027 3.310 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.799 5.502 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.050 5.384 -4.351 1.00 0.00 H new ATOM 232 N SER A 16 9.820 5.051 -5.032 1.00 0.00 N ATOM 233 CA SER A 16 8.753 5.384 -5.956 1.00 0.00 C ATOM 234 C SER A 16 7.419 5.220 -5.226 1.00 0.00 C ATOM 235 O SER A 16 7.339 4.490 -4.229 1.00 0.00 O ATOM 236 CB SER A 16 8.873 4.470 -7.188 1.00 0.00 C ATOM 237 OG SER A 16 9.357 3.167 -6.869 1.00 0.00 O ATOM 0 H SER A 16 9.522 4.428 -4.281 1.00 0.00 H new ATOM 0 HA SER A 16 8.818 6.415 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.897 4.382 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.542 4.933 -7.913 1.00 0.00 H new ATOM 0 HG SER A 16 10.314 3.215 -6.664 1.00 0.00 H new ATOM 243 N THR A 17 6.353 5.838 -5.734 1.00 0.00 N ATOM 244 CA THR A 17 5.028 5.764 -5.130 1.00 0.00 C ATOM 245 C THR A 17 3.968 5.467 -6.195 1.00 0.00 C ATOM 246 O THR A 17 4.235 5.502 -7.397 1.00 0.00 O ATOM 247 CB THR A 17 4.751 7.062 -4.337 1.00 0.00 C ATOM 248 OG1 THR A 17 5.036 8.221 -5.083 1.00 0.00 O ATOM 249 CG2 THR A 17 5.602 7.162 -3.072 1.00 0.00 C ATOM 0 H THR A 17 6.387 6.406 -6.580 1.00 0.00 H new ATOM 0 HA THR A 17 4.983 4.937 -4.421 1.00 0.00 H new ATOM 0 HB THR A 17 3.690 7.006 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.844 9.014 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.371 8.091 -2.550 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.385 6.316 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.658 7.151 -3.342 1.00 0.00 H new ATOM 257 N GLN A 18 2.761 5.119 -5.751 1.00 0.00 N ATOM 258 CA GLN A 18 1.592 4.811 -6.561 1.00 0.00 C ATOM 259 C GLN A 18 0.377 5.172 -5.704 1.00 0.00 C ATOM 260 O GLN A 18 0.425 5.059 -4.477 1.00 0.00 O ATOM 261 CB GLN A 18 1.616 3.348 -7.019 1.00 0.00 C ATOM 262 CG GLN A 18 0.417 2.975 -7.901 1.00 0.00 C ATOM 263 CD GLN A 18 0.615 1.597 -8.518 1.00 0.00 C ATOM 264 OE1 GLN A 18 0.907 1.466 -9.700 1.00 0.00 O ATOM 265 NE2 GLN A 18 0.501 0.538 -7.731 1.00 0.00 N ATOM 0 H GLN A 18 2.565 5.041 -4.753 1.00 0.00 H new ATOM 0 HA GLN A 18 1.564 5.385 -7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.537 3.161 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.631 2.699 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.496 2.985 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.293 3.718 -8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.257 0.657 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.657 -0.397 -8.108 1.00 0.00 H new ATOM 274 N THR A 19 -0.700 5.643 -6.312 1.00 0.00 N ATOM 275 CA THR A 19 -1.930 6.042 -5.637 1.00 0.00 C ATOM 276 C THR A 19 -3.049 5.409 -6.464 1.00 0.00 C ATOM 277 O THR A 19 -3.020 5.486 -7.695 1.00 0.00 O ATOM 278 CB THR A 19 -1.966 7.574 -5.581 1.00 0.00 C ATOM 279 OG1 THR A 19 -0.664 8.112 -5.357 1.00 0.00 O ATOM 280 CG2 THR A 19 -2.842 8.139 -4.472 1.00 0.00 C ATOM 0 H THR A 19 -0.746 5.763 -7.324 1.00 0.00 H new ATOM 0 HA THR A 19 -2.024 5.709 -4.603 1.00 0.00 H new ATOM 0 HB THR A 19 -2.377 7.860 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.715 9.090 -5.327 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.811 9.228 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.869 7.801 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.474 7.793 -3.506 1.00 0.00 H new ATOM 288 N ALA A 20 -3.955 4.697 -5.806 1.00 0.00 N ATOM 289 CA ALA A 20 -5.085 3.976 -6.389 1.00 0.00 C ATOM 290 C ALA A 20 -6.343 4.172 -5.542 1.00 0.00 C ATOM 291 O ALA A 20 -6.296 3.996 -4.321 1.00 0.00 O ATOM 292 CB ALA A 20 -4.711 2.491 -6.454 1.00 0.00 C ATOM 0 H ALA A 20 -3.921 4.600 -4.791 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.298 4.357 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.537 1.926 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.823 2.366 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.506 2.123 -5.449 1.00 0.00 H new ATOM 298 N GLU A 21 -7.460 4.556 -6.155 1.00 0.00 N ATOM 299 CA GLU A 21 -8.714 4.784 -5.448 1.00 0.00 C ATOM 300 C GLU A 21 -9.649 3.606 -5.704 1.00 0.00 C ATOM 301 O GLU A 21 -10.123 3.405 -6.824 1.00 0.00 O ATOM 302 CB GLU A 21 -9.354 6.119 -5.861 1.00 0.00 C ATOM 303 CG GLU A 21 -8.605 7.348 -5.314 1.00 0.00 C ATOM 304 CD GLU A 21 -7.316 7.634 -6.087 1.00 0.00 C ATOM 305 OE1 GLU A 21 -7.426 8.045 -7.268 1.00 0.00 O ATOM 306 OE2 GLU A 21 -6.216 7.401 -5.538 1.00 0.00 O ATOM 0 H GLU A 21 -7.519 4.718 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.518 4.854 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.387 6.177 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.385 6.144 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.257 8.220 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.367 7.188 -4.262 1.00 0.00 H new ATOM 313 N PHE A 22 -9.879 2.796 -4.675 1.00 0.00 N ATOM 314 CA PHE A 22 -10.751 1.630 -4.720 1.00 0.00 C ATOM 315 C PHE A 22 -12.146 2.117 -4.356 1.00 0.00 C ATOM 316 O PHE A 22 -12.288 2.933 -3.443 1.00 0.00 O ATOM 317 CB PHE A 22 -10.253 0.558 -3.745 1.00 0.00 C ATOM 318 CG PHE A 22 -8.953 -0.072 -4.203 1.00 0.00 C ATOM 319 CD1 PHE A 22 -7.720 0.559 -3.945 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.987 -1.242 -4.984 1.00 0.00 C ATOM 321 CE1 PHE A 22 -6.535 0.037 -4.492 1.00 0.00 C ATOM 322 CE2 PHE A 22 -7.800 -1.773 -5.512 1.00 0.00 C ATOM 323 CZ PHE A 22 -6.578 -1.123 -5.284 1.00 0.00 C ATOM 0 H PHE A 22 -9.450 2.938 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.759 1.171 -5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.112 1.002 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.013 -0.216 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.685 1.444 -3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.929 -1.733 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.591 0.527 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.827 -2.682 -6.094 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.670 -1.514 -5.717 1.00 0.00 H new ATOM 333 N GLN A 23 -13.169 1.630 -5.050 1.00 0.00 N ATOM 334 CA GLN A 23 -14.558 2.014 -4.834 1.00 0.00 C ATOM 335 C GLN A 23 -15.411 0.783 -4.553 1.00 0.00 C ATOM 336 O GLN A 23 -15.070 -0.319 -4.988 1.00 0.00 O ATOM 337 CB GLN A 23 -15.060 2.743 -6.088 1.00 0.00 C ATOM 338 CG GLN A 23 -14.472 4.147 -6.249 1.00 0.00 C ATOM 339 CD GLN A 23 -14.893 4.805 -7.560 1.00 0.00 C ATOM 340 OE1 GLN A 23 -16.024 4.666 -8.024 1.00 0.00 O ATOM 341 NE2 GLN A 23 -13.998 5.539 -8.198 1.00 0.00 N ATOM 0 H GLN A 23 -13.052 0.942 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 23 -14.631 2.674 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.812 2.150 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.147 2.814 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.791 4.770 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.384 4.090 -6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.061 5.652 -7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -14.244 5.992 -9.078 1.00 0.00 H new ATOM 350 N GLY A 24 -16.551 0.986 -3.895 1.00 0.00 N ATOM 351 CA GLY A 24 -17.503 -0.048 -3.525 1.00 0.00 C ATOM 352 C GLY A 24 -17.728 0.006 -2.021 1.00 0.00 C ATOM 353 O GLY A 24 -17.497 1.036 -1.378 1.00 0.00 O ATOM 0 H GLY A 24 -16.844 1.916 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.445 0.100 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.126 -1.029 -3.815 1.00 0.00 H new ATOM 357 N THR A 25 -18.231 -1.081 -1.449 1.00 0.00 N ATOM 358 CA THR A 25 -18.469 -1.160 -0.021 1.00 0.00 C ATOM 359 C THR A 25 -17.116 -1.112 0.694 1.00 0.00 C ATOM 360 O THR A 25 -16.094 -1.526 0.143 1.00 0.00 O ATOM 361 CB THR A 25 -19.275 -2.421 0.324 1.00 0.00 C ATOM 362 OG1 THR A 25 -19.182 -3.408 -0.689 1.00 0.00 O ATOM 363 CG2 THR A 25 -20.757 -2.095 0.510 1.00 0.00 C ATOM 0 H THR A 25 -18.483 -1.926 -1.962 1.00 0.00 H new ATOM 0 HA THR A 25 -19.070 -0.315 0.316 1.00 0.00 H new ATOM 0 HB THR A 25 -18.846 -2.804 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.707 -4.194 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.302 -3.007 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.872 -1.376 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.154 -1.670 -0.412 1.00 0.00 H new ATOM 371 N PHE A 26 -17.115 -0.665 1.949 1.00 0.00 N ATOM 372 CA PHE A 26 -15.912 -0.550 2.757 1.00 0.00 C ATOM 373 C PHE A 26 -15.138 -1.866 2.823 1.00 0.00 C ATOM 374 O PHE A 26 -13.930 -1.876 2.605 1.00 0.00 O ATOM 375 CB PHE A 26 -16.325 -0.060 4.144 1.00 0.00 C ATOM 376 CG PHE A 26 -15.172 0.258 5.065 1.00 0.00 C ATOM 377 CD1 PHE A 26 -14.603 1.543 5.039 1.00 0.00 C ATOM 378 CD2 PHE A 26 -14.710 -0.700 5.987 1.00 0.00 C ATOM 379 CE1 PHE A 26 -13.586 1.874 5.944 1.00 0.00 C ATOM 380 CE2 PHE A 26 -13.688 -0.365 6.892 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.129 0.924 6.876 1.00 0.00 C ATOM 0 H PHE A 26 -17.962 -0.370 2.435 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.229 0.166 2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.941 0.833 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.949 -0.821 4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.949 2.274 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.140 -1.691 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.151 2.862 5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.332 -1.099 7.600 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.350 1.185 7.577 1.00 0.00 H new ATOM 391 N GLU A 27 -15.834 -2.970 3.099 1.00 0.00 N ATOM 392 CA GLU A 27 -15.236 -4.296 3.199 1.00 0.00 C ATOM 393 C GLU A 27 -14.579 -4.695 1.874 1.00 0.00 C ATOM 394 O GLU A 27 -13.462 -5.214 1.894 1.00 0.00 O ATOM 395 CB GLU A 27 -16.314 -5.294 3.651 1.00 0.00 C ATOM 396 CG GLU A 27 -16.617 -5.124 5.146 1.00 0.00 C ATOM 397 CD GLU A 27 -18.083 -5.369 5.503 1.00 0.00 C ATOM 398 OE1 GLU A 27 -18.912 -4.467 5.236 1.00 0.00 O ATOM 399 OE2 GLU A 27 -18.387 -6.381 6.180 1.00 0.00 O ATOM 0 H GLU A 27 -16.841 -2.965 3.261 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.441 -4.296 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.224 -5.142 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.978 -6.313 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.993 -5.812 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.340 -4.115 5.452 1.00 0.00 H new ATOM 406 N GLN A 28 -15.254 -4.434 0.747 1.00 0.00 N ATOM 407 CA GLN A 28 -14.772 -4.732 -0.594 1.00 0.00 C ATOM 408 C GLN A 28 -13.502 -3.924 -0.867 1.00 0.00 C ATOM 409 O GLN A 28 -12.431 -4.507 -0.999 1.00 0.00 O ATOM 410 CB GLN A 28 -15.884 -4.436 -1.627 1.00 0.00 C ATOM 411 CG GLN A 28 -15.457 -4.503 -3.104 1.00 0.00 C ATOM 412 CD GLN A 28 -15.186 -5.924 -3.591 1.00 0.00 C ATOM 413 OE1 GLN A 28 -14.242 -6.596 -3.180 1.00 0.00 O ATOM 414 NE2 GLN A 28 -16.028 -6.444 -4.465 1.00 0.00 N ATOM 0 H GLN A 28 -16.176 -3.997 0.751 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.520 -5.789 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.698 -5.144 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.284 -3.442 -1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.237 -4.058 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.559 -3.901 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.813 -5.890 -4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.894 -7.399 -4.796 1.00 0.00 H new ATOM 423 N ALA A 29 -13.620 -2.594 -0.925 1.00 0.00 N ATOM 424 CA ALA A 29 -12.525 -1.676 -1.206 1.00 0.00 C ATOM 425 C ALA A 29 -11.288 -1.949 -0.342 1.00 0.00 C ATOM 426 O ALA A 29 -10.168 -1.891 -0.848 1.00 0.00 O ATOM 427 CB ALA A 29 -13.032 -0.236 -1.072 1.00 0.00 C ATOM 0 H ALA A 29 -14.509 -2.118 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.190 -1.835 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.217 0.457 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.842 -0.068 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.397 -0.072 -0.058 1.00 0.00 H new ATOM 433 N THR A 30 -11.469 -2.253 0.945 1.00 0.00 N ATOM 434 CA THR A 30 -10.351 -2.542 1.837 1.00 0.00 C ATOM 435 C THR A 30 -9.669 -3.847 1.394 1.00 0.00 C ATOM 436 O THR A 30 -8.450 -3.877 1.198 1.00 0.00 O ATOM 437 CB THR A 30 -10.860 -2.596 3.289 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.508 -1.388 3.625 1.00 0.00 O ATOM 439 CG2 THR A 30 -9.742 -2.793 4.306 1.00 0.00 C ATOM 0 H THR A 30 -12.385 -2.305 1.391 1.00 0.00 H new ATOM 0 HA THR A 30 -9.600 -1.754 1.787 1.00 0.00 H new ATOM 0 HB THR A 30 -11.537 -3.449 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.471 -1.478 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.165 -2.823 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.226 -3.731 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.035 -1.966 4.234 1.00 0.00 H new ATOM 447 N SER A 31 -10.439 -4.918 1.196 1.00 0.00 N ATOM 448 CA SER A 31 -9.917 -6.213 0.781 1.00 0.00 C ATOM 449 C SER A 31 -9.231 -6.115 -0.590 1.00 0.00 C ATOM 450 O SER A 31 -8.206 -6.766 -0.805 1.00 0.00 O ATOM 451 CB SER A 31 -11.069 -7.224 0.804 1.00 0.00 C ATOM 452 OG SER A 31 -10.616 -8.557 0.952 1.00 0.00 O ATOM 0 H SER A 31 -11.451 -4.907 1.321 1.00 0.00 H new ATOM 0 HA SER A 31 -9.145 -6.554 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.746 -6.980 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.642 -7.139 -0.119 1.00 0.00 H new ATOM 0 HG SER A 31 -11.385 -9.164 0.963 1.00 0.00 H new ATOM 458 N GLU A 32 -9.751 -5.284 -1.502 1.00 0.00 N ATOM 459 CA GLU A 32 -9.192 -5.087 -2.834 1.00 0.00 C ATOM 460 C GLU A 32 -7.860 -4.353 -2.737 1.00 0.00 C ATOM 461 O GLU A 32 -6.909 -4.727 -3.423 1.00 0.00 O ATOM 462 CB GLU A 32 -10.132 -4.271 -3.722 1.00 0.00 C ATOM 463 CG GLU A 32 -11.362 -5.053 -4.171 1.00 0.00 C ATOM 464 CD GLU A 32 -12.092 -4.275 -5.255 1.00 0.00 C ATOM 465 OE1 GLU A 32 -12.669 -3.203 -4.964 1.00 0.00 O ATOM 466 OE2 GLU A 32 -12.015 -4.670 -6.440 1.00 0.00 O ATOM 0 H GLU A 32 -10.585 -4.724 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.053 -6.073 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.453 -3.381 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.586 -3.929 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.066 -6.032 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.025 -5.226 -3.323 1.00 0.00 H new ATOM 473 N ALA A 33 -7.762 -3.335 -1.873 1.00 0.00 N ATOM 474 CA ALA A 33 -6.525 -2.589 -1.703 1.00 0.00 C ATOM 475 C ALA A 33 -5.409 -3.551 -1.280 1.00 0.00 C ATOM 476 O ALA A 33 -4.290 -3.478 -1.798 1.00 0.00 O ATOM 477 CB ALA A 33 -6.716 -1.464 -0.682 1.00 0.00 C ATOM 0 H ALA A 33 -8.530 -3.014 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.242 -2.125 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.781 -0.915 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.495 -0.785 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.008 -1.890 0.278 1.00 0.00 H new ATOM 483 N TYR A 34 -5.740 -4.500 -0.401 1.00 0.00 N ATOM 484 CA TYR A 34 -4.806 -5.498 0.097 1.00 0.00 C ATOM 485 C TYR A 34 -4.502 -6.538 -0.988 1.00 0.00 C ATOM 486 O TYR A 34 -3.417 -7.120 -0.993 1.00 0.00 O ATOM 487 CB TYR A 34 -5.401 -6.160 1.352 1.00 0.00 C ATOM 488 CG TYR A 34 -5.724 -5.261 2.543 1.00 0.00 C ATOM 489 CD1 TYR A 34 -5.293 -3.918 2.611 1.00 0.00 C ATOM 490 CD2 TYR A 34 -6.491 -5.788 3.602 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.640 -3.115 3.707 1.00 0.00 C ATOM 492 CE2 TYR A 34 -6.804 -5.001 4.725 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.378 -3.655 4.777 1.00 0.00 C ATOM 494 OH TYR A 34 -6.662 -2.865 5.848 1.00 0.00 O ATOM 0 H TYR A 34 -6.679 -4.593 -0.013 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.864 -5.019 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.318 -6.671 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.703 -6.926 1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.692 -3.507 1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.842 -6.808 3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.340 -2.078 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.367 -5.424 5.544 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.178 -3.377 6.505 1.00 0.00 H new ATOM 504 N ALA A 35 -5.434 -6.804 -1.910 1.00 0.00 N ATOM 505 CA ALA A 35 -5.251 -7.758 -2.998 1.00 0.00 C ATOM 506 C ALA A 35 -4.258 -7.174 -3.998 1.00 0.00 C ATOM 507 O ALA A 35 -3.262 -7.809 -4.338 1.00 0.00 O ATOM 508 CB ALA A 35 -6.588 -8.064 -3.678 1.00 0.00 C ATOM 0 H ALA A 35 -6.349 -6.353 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.861 -8.696 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.430 -8.777 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.278 -8.489 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.009 -7.144 -4.083 1.00 0.00 H new ATOM 514 N TYR A 36 -4.498 -5.937 -4.434 1.00 0.00 N ATOM 515 CA TYR A 36 -3.640 -5.250 -5.382 1.00 0.00 C ATOM 516 C TYR A 36 -2.220 -5.115 -4.830 1.00 0.00 C ATOM 517 O TYR A 36 -1.256 -5.332 -5.562 1.00 0.00 O ATOM 518 CB TYR A 36 -4.256 -3.893 -5.716 1.00 0.00 C ATOM 519 CG TYR A 36 -3.465 -3.099 -6.734 1.00 0.00 C ATOM 520 CD1 TYR A 36 -3.139 -3.678 -7.977 1.00 0.00 C ATOM 521 CD2 TYR A 36 -3.071 -1.779 -6.448 1.00 0.00 C ATOM 522 CE1 TYR A 36 -2.416 -2.946 -8.931 1.00 0.00 C ATOM 523 CE2 TYR A 36 -2.392 -1.025 -7.416 1.00 0.00 C ATOM 524 CZ TYR A 36 -2.061 -1.611 -8.657 1.00 0.00 C ATOM 525 OH TYR A 36 -1.422 -0.877 -9.601 1.00 0.00 O ATOM 0 H TYR A 36 -5.301 -5.385 -4.133 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.564 -5.832 -6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.267 -4.046 -6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.343 -3.308 -4.800 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.447 -4.690 -8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.291 -1.347 -5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.134 -3.403 -9.868 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.123 0.001 -7.213 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.461 0.072 -9.359 1.00 0.00 H new ATOM 535 N ALA A 37 -2.073 -4.797 -3.538 1.00 0.00 N ATOM 536 CA ALA A 37 -0.754 -4.676 -2.933 1.00 0.00 C ATOM 537 C ALA A 37 -0.013 -6.019 -3.020 1.00 0.00 C ATOM 538 O ALA A 37 1.205 -6.041 -3.189 1.00 0.00 O ATOM 539 CB ALA A 37 -0.886 -4.215 -1.481 1.00 0.00 C ATOM 0 H ALA A 37 -2.849 -4.621 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.174 -3.930 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.105 -4.127 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.385 -3.246 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.472 -4.943 -0.920 1.00 0.00 H new ATOM 545 N ASP A 38 -0.735 -7.139 -2.899 1.00 0.00 N ATOM 546 CA ASP A 38 -0.151 -8.476 -2.977 1.00 0.00 C ATOM 547 C ASP A 38 0.317 -8.779 -4.403 1.00 0.00 C ATOM 548 O ASP A 38 1.371 -9.384 -4.593 1.00 0.00 O ATOM 549 CB ASP A 38 -1.116 -9.558 -2.489 1.00 0.00 C ATOM 550 CG ASP A 38 -0.338 -10.848 -2.245 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.117 -11.635 -3.189 1.00 0.00 O ATOM 552 OD2 ASP A 38 0.118 -11.053 -1.099 1.00 0.00 O ATOM 0 H ASP A 38 -1.743 -7.140 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 38 0.712 -8.488 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.608 -9.237 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.899 -9.725 -3.229 1.00 0.00 H new ATOM 557 N THR A 39 -0.411 -8.307 -5.421 1.00 0.00 N ATOM 558 CA THR A 39 -0.071 -8.525 -6.825 1.00 0.00 C ATOM 559 C THR A 39 1.288 -7.896 -7.187 1.00 0.00 C ATOM 560 O THR A 39 1.951 -8.353 -8.116 1.00 0.00 O ATOM 561 CB THR A 39 -1.264 -8.079 -7.707 1.00 0.00 C ATOM 562 OG1 THR A 39 -1.638 -9.120 -8.584 1.00 0.00 O ATOM 563 CG2 THR A 39 -1.072 -6.816 -8.552 1.00 0.00 C ATOM 0 H THR A 39 -1.260 -7.758 -5.288 1.00 0.00 H new ATOM 0 HA THR A 39 0.081 -9.586 -7.022 1.00 0.00 H new ATOM 0 HB THR A 39 -2.031 -7.835 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.394 -8.828 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.981 -6.617 -9.120 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.860 -5.970 -7.899 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.239 -6.961 -9.240 1.00 0.00 H new ATOM 571 N LEU A 40 1.734 -6.881 -6.438 1.00 0.00 N ATOM 572 CA LEU A 40 3.003 -6.186 -6.658 1.00 0.00 C ATOM 573 C LEU A 40 4.084 -6.642 -5.671 1.00 0.00 C ATOM 574 O LEU A 40 5.262 -6.338 -5.865 1.00 0.00 O ATOM 575 CB LEU A 40 2.759 -4.670 -6.550 1.00 0.00 C ATOM 576 CG LEU A 40 1.900 -4.115 -7.705 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.267 -2.777 -7.316 1.00 0.00 C ATOM 578 CD2 LEU A 40 2.732 -3.952 -8.983 1.00 0.00 C ATOM 0 H LEU A 40 1.209 -6.513 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 40 3.372 -6.431 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.267 -4.453 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.718 -4.153 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 40 1.105 -4.835 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.666 -2.404 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.632 -2.916 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.052 -2.057 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.101 -3.559 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.554 -3.260 -8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.134 -4.920 -9.282 1.00 0.00 H new ATOM 590 N LYS A 41 3.709 -7.389 -4.633 1.00 0.00 N ATOM 591 CA LYS A 41 4.557 -7.910 -3.564 1.00 0.00 C ATOM 592 C LYS A 41 5.707 -8.793 -4.043 1.00 0.00 C ATOM 593 O LYS A 41 6.675 -8.968 -3.307 1.00 0.00 O ATOM 594 CB LYS A 41 3.632 -8.682 -2.615 1.00 0.00 C ATOM 595 CG LYS A 41 4.120 -8.811 -1.177 1.00 0.00 C ATOM 596 CD LYS A 41 3.173 -9.664 -0.345 1.00 0.00 C ATOM 597 CE LYS A 41 3.402 -11.150 -0.604 1.00 0.00 C ATOM 598 NZ LYS A 41 2.418 -11.971 0.122 1.00 0.00 N ATOM 0 H LYS A 41 2.735 -7.665 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 41 5.054 -7.074 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.659 -8.191 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.481 -9.683 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.116 -9.254 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.208 -7.821 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.320 -9.449 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.141 -9.405 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.331 -11.351 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.410 -11.426 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.616 -12.978 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.481 -11.769 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.461 -11.746 -0.217 1.00 0.00 H new ATOM 612 N GLN A 42 5.631 -9.346 -5.255 1.00 0.00 N ATOM 613 CA GLN A 42 6.683 -10.192 -5.793 1.00 0.00 C ATOM 614 C GLN A 42 7.994 -9.402 -5.856 1.00 0.00 C ATOM 615 O GLN A 42 9.003 -9.816 -5.279 1.00 0.00 O ATOM 616 CB GLN A 42 6.259 -10.710 -7.181 1.00 0.00 C ATOM 617 CG GLN A 42 7.343 -11.540 -7.881 1.00 0.00 C ATOM 618 CD GLN A 42 7.737 -12.767 -7.067 1.00 0.00 C ATOM 619 OE1 GLN A 42 6.906 -13.632 -6.800 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.988 -12.860 -6.657 1.00 0.00 N ATOM 0 H GLN A 42 4.839 -9.217 -5.885 1.00 0.00 H new ATOM 0 HA GLN A 42 6.845 -11.054 -5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.360 -11.317 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.998 -9.861 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.983 -11.855 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.223 -10.919 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.658 -12.128 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.285 -13.664 -6.104 1.00 0.00 H new ATOM 629 N ASP A 43 7.968 -8.282 -6.576 1.00 0.00 N ATOM 630 CA ASP A 43 9.100 -7.383 -6.796 1.00 0.00 C ATOM 631 C ASP A 43 9.202 -6.271 -5.756 1.00 0.00 C ATOM 632 O ASP A 43 10.303 -5.839 -5.418 1.00 0.00 O ATOM 633 CB ASP A 43 8.901 -6.735 -8.171 1.00 0.00 C ATOM 634 CG ASP A 43 9.954 -5.676 -8.494 1.00 0.00 C ATOM 635 OD1 ASP A 43 11.138 -6.048 -8.671 1.00 0.00 O ATOM 636 OD2 ASP A 43 9.552 -4.499 -8.654 1.00 0.00 O ATOM 0 H ASP A 43 7.120 -7.962 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 43 10.016 -7.970 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.926 -7.509 -8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.912 -6.279 -8.211 1.00 0.00 H new ATOM 641 N ASN A 44 8.064 -5.818 -5.223 1.00 0.00 N ATOM 642 CA ASN A 44 8.026 -4.732 -4.248 1.00 0.00 C ATOM 643 C ASN A 44 8.166 -5.224 -2.809 1.00 0.00 C ATOM 644 O ASN A 44 8.311 -4.397 -1.906 1.00 0.00 O ATOM 645 CB ASN A 44 6.802 -3.829 -4.456 1.00 0.00 C ATOM 646 CG ASN A 44 6.817 -3.189 -5.842 1.00 0.00 C ATOM 647 OD1 ASN A 44 7.342 -2.101 -6.042 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.244 -3.857 -6.829 1.00 0.00 N ATOM 0 H ASN A 44 7.146 -6.195 -5.457 1.00 0.00 H new ATOM 0 HA ASN A 44 8.905 -4.114 -4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.890 -4.414 -4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.787 -3.050 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.236 -3.467 -7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.810 -4.762 -6.648 1.00 0.00 H new ATOM 655 N GLY A 45 8.183 -6.539 -2.586 1.00 0.00 N ATOM 656 CA GLY A 45 8.329 -7.134 -1.271 1.00 0.00 C ATOM 657 C GLY A 45 7.088 -6.981 -0.409 1.00 0.00 C ATOM 658 O GLY A 45 6.053 -6.527 -0.890 1.00 0.00 O ATOM 0 H GLY A 45 8.093 -7.227 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.560 -8.194 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.177 -6.675 -0.763 1.00 0.00 H new ATOM 662 N GLU A 46 7.168 -7.420 0.849 1.00 0.00 N ATOM 663 CA GLU A 46 6.056 -7.332 1.790 1.00 0.00 C ATOM 664 C GLU A 46 5.709 -5.880 2.097 1.00 0.00 C ATOM 665 O GLU A 46 6.459 -4.945 1.795 1.00 0.00 O ATOM 666 CB GLU A 46 6.378 -8.097 3.078 1.00 0.00 C ATOM 667 CG GLU A 46 6.106 -9.599 2.923 1.00 0.00 C ATOM 668 CD GLU A 46 4.625 -9.988 2.958 1.00 0.00 C ATOM 669 OE1 GLU A 46 3.744 -9.180 3.335 1.00 0.00 O ATOM 670 OE2 GLU A 46 4.300 -11.118 2.521 1.00 0.00 O ATOM 0 H GLU A 46 8.007 -7.846 1.241 1.00 0.00 H new ATOM 0 HA GLU A 46 5.184 -7.792 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.424 -7.941 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.779 -7.700 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.534 -9.936 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.627 -10.133 3.718 1.00 0.00 H new ATOM 677 N TRP A 47 4.547 -5.704 2.719 1.00 0.00 N ATOM 678 CA TRP A 47 4.005 -4.416 3.091 1.00 0.00 C ATOM 679 C TRP A 47 3.192 -4.524 4.378 1.00 0.00 C ATOM 680 O TRP A 47 2.892 -5.619 4.857 1.00 0.00 O ATOM 681 CB TRP A 47 3.105 -3.941 1.933 1.00 0.00 C ATOM 682 CG TRP A 47 2.132 -4.965 1.402 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.354 -5.766 0.334 1.00 0.00 C ATOM 684 CD2 TRP A 47 0.828 -5.366 1.926 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.286 -6.621 0.152 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.306 -6.405 1.096 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.034 -4.971 3.026 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.949 -6.991 1.329 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -1.214 -5.570 3.285 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.716 -6.563 2.426 1.00 0.00 C ATOM 0 H TRP A 47 3.943 -6.483 2.983 1.00 0.00 H new ATOM 0 HA TRP A 47 4.812 -3.705 3.271 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.542 -3.070 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.743 -3.612 1.112 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.238 -5.740 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.229 -7.322 -0.586 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.392 -4.192 3.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.321 -7.763 0.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.788 -5.265 4.148 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.688 -6.996 2.609 1.00 0.00 H new ATOM 701 N THR A 48 2.855 -3.370 4.939 1.00 0.00 N ATOM 702 CA THR A 48 2.046 -3.163 6.132 1.00 0.00 C ATOM 703 C THR A 48 1.119 -2.000 5.756 1.00 0.00 C ATOM 704 O THR A 48 1.398 -1.292 4.776 1.00 0.00 O ATOM 705 CB THR A 48 2.887 -2.939 7.406 1.00 0.00 C ATOM 706 OG1 THR A 48 3.865 -1.919 7.260 1.00 0.00 O ATOM 707 CG2 THR A 48 3.599 -4.227 7.826 1.00 0.00 C ATOM 0 H THR A 48 3.165 -2.484 4.539 1.00 0.00 H new ATOM 0 HA THR A 48 1.470 -4.046 6.409 1.00 0.00 H new ATOM 0 HB THR A 48 2.176 -2.625 8.170 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.364 -1.822 8.098 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.185 -4.042 8.726 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.860 -5.002 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.260 -4.555 7.024 1.00 0.00 H new ATOM 715 N VAL A 49 0.033 -1.768 6.497 1.00 0.00 N ATOM 716 CA VAL A 49 -0.893 -0.699 6.150 1.00 0.00 C ATOM 717 C VAL A 49 -1.432 0.027 7.374 1.00 0.00 C ATOM 718 O VAL A 49 -1.846 -0.607 8.350 1.00 0.00 O ATOM 719 CB VAL A 49 -1.993 -1.281 5.233 1.00 0.00 C ATOM 720 CG1 VAL A 49 -2.785 -2.440 5.862 1.00 0.00 C ATOM 721 CG2 VAL A 49 -2.956 -0.185 4.757 1.00 0.00 C ATOM 0 H VAL A 49 -0.221 -2.300 7.329 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.365 0.079 5.598 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.461 -1.698 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.537 -2.792 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.105 -3.256 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.276 -2.094 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.718 -0.625 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.433 0.280 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.401 0.569 4.199 1.00 0.00 H new ATOM 731 N ASP A 50 -1.372 1.359 7.334 1.00 0.00 N ATOM 732 CA ASP A 50 -1.865 2.246 8.383 1.00 0.00 C ATOM 733 C ASP A 50 -3.221 2.729 7.882 1.00 0.00 C ATOM 734 O ASP A 50 -3.294 3.415 6.853 1.00 0.00 O ATOM 735 CB ASP A 50 -0.922 3.432 8.648 1.00 0.00 C ATOM 736 CG ASP A 50 -1.185 4.068 10.013 1.00 0.00 C ATOM 737 OD1 ASP A 50 -2.344 4.139 10.480 1.00 0.00 O ATOM 738 OD2 ASP A 50 -0.198 4.453 10.680 1.00 0.00 O ATOM 0 H ASP A 50 -0.966 1.863 6.546 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.932 1.723 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.113 3.093 8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.050 4.181 7.867 1.00 0.00 H new ATOM 743 N VAL A 51 -4.292 2.297 8.533 1.00 0.00 N ATOM 744 CA VAL A 51 -5.662 2.647 8.202 1.00 0.00 C ATOM 745 C VAL A 51 -5.904 4.008 8.851 1.00 0.00 C ATOM 746 O VAL A 51 -5.673 4.173 10.054 1.00 0.00 O ATOM 747 CB VAL A 51 -6.613 1.555 8.735 1.00 0.00 C ATOM 748 CG1 VAL A 51 -8.083 1.873 8.438 1.00 0.00 C ATOM 749 CG2 VAL A 51 -6.290 0.164 8.163 1.00 0.00 C ATOM 0 H VAL A 51 -4.226 1.670 9.335 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.843 2.709 7.129 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.456 1.542 9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.714 1.076 8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.354 2.817 8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.228 1.951 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.988 -0.568 8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.380 0.187 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.272 -0.114 8.436 1.00 0.00 H new ATOM 759 N ALA A 52 -6.343 4.990 8.071 1.00 0.00 N ATOM 760 CA ALA A 52 -6.595 6.342 8.533 1.00 0.00 C ATOM 761 C ALA A 52 -7.873 6.910 7.927 1.00 0.00 C ATOM 762 O ALA A 52 -8.502 6.294 7.064 1.00 0.00 O ATOM 763 CB ALA A 52 -5.402 7.199 8.085 1.00 0.00 C ATOM 0 H ALA A 52 -6.537 4.861 7.078 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.715 6.343 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.550 8.228 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.486 6.806 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.322 7.172 6.998 1.00 0.00 H new ATOM 769 N ASP A 53 -8.243 8.096 8.406 1.00 0.00 N ATOM 770 CA ASP A 53 -9.383 8.903 7.986 1.00 0.00 C ATOM 771 C ASP A 53 -10.659 8.067 7.817 1.00 0.00 C ATOM 772 O ASP A 53 -11.196 7.953 6.718 1.00 0.00 O ATOM 773 CB ASP A 53 -8.959 9.654 6.703 1.00 0.00 C ATOM 774 CG ASP A 53 -7.933 10.770 6.950 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.927 10.557 7.677 1.00 0.00 O ATOM 776 OD2 ASP A 53 -8.112 11.890 6.421 1.00 0.00 O ATOM 0 H ASP A 53 -7.715 8.549 9.152 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.648 9.627 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.540 8.938 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.845 10.084 6.235 1.00 0.00 H new ATOM 781 N GLN A 54 -11.170 7.488 8.915 1.00 0.00 N ATOM 782 CA GLN A 54 -12.376 6.634 8.953 1.00 0.00 C ATOM 783 C GLN A 54 -12.236 5.392 8.048 1.00 0.00 C ATOM 784 O GLN A 54 -13.222 4.711 7.749 1.00 0.00 O ATOM 785 CB GLN A 54 -13.663 7.413 8.623 1.00 0.00 C ATOM 786 CG GLN A 54 -13.939 8.596 9.553 1.00 0.00 C ATOM 787 CD GLN A 54 -14.398 8.225 10.962 1.00 0.00 C ATOM 788 OE1 GLN A 54 -13.790 8.639 11.950 1.00 0.00 O ATOM 789 NE2 GLN A 54 -15.487 7.491 11.108 1.00 0.00 N ATOM 0 H GLN A 54 -10.743 7.603 9.834 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.464 6.287 9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.600 7.779 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -14.509 6.728 8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.032 9.196 9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.700 9.227 9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.987 7.151 10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.828 7.265 12.042 1.00 0.00 H new ATOM 798 N GLY A 55 -11.007 5.078 7.637 1.00 0.00 N ATOM 799 CA GLY A 55 -10.642 3.981 6.763 1.00 0.00 C ATOM 800 C GLY A 55 -10.714 4.406 5.295 1.00 0.00 C ATOM 801 O GLY A 55 -10.484 3.581 4.417 1.00 0.00 O ATOM 0 H GLY A 55 -10.195 5.622 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.633 3.643 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.309 3.136 6.935 1.00 0.00 H new ATOM 805 N TYR A 56 -11.056 5.664 4.995 1.00 0.00 N ATOM 806 CA TYR A 56 -11.138 6.164 3.631 1.00 0.00 C ATOM 807 C TYR A 56 -9.744 6.406 3.051 1.00 0.00 C ATOM 808 O TYR A 56 -9.633 6.634 1.845 1.00 0.00 O ATOM 809 CB TYR A 56 -11.963 7.455 3.558 1.00 0.00 C ATOM 810 CG TYR A 56 -13.350 7.405 4.176 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.179 6.277 4.011 1.00 0.00 C ATOM 812 CD2 TYR A 56 -13.812 8.507 4.918 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.450 6.244 4.609 1.00 0.00 C ATOM 814 CE2 TYR A 56 -15.091 8.492 5.499 1.00 0.00 C ATOM 815 CZ TYR A 56 -15.907 7.350 5.356 1.00 0.00 C ATOM 816 OH TYR A 56 -17.132 7.307 5.943 1.00 0.00 O ATOM 0 H TYR A 56 -11.284 6.363 5.702 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.639 5.400 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.399 8.249 4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.066 7.736 2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.837 5.437 3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.178 9.372 5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.077 5.372 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.447 9.349 6.051 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.295 8.147 6.421 1.00 0.00 H new ATOM 826 N THR A 57 -8.679 6.351 3.849 1.00 0.00 N ATOM 827 CA THR A 57 -7.318 6.547 3.379 1.00 0.00 C ATOM 828 C THR A 57 -6.470 5.415 3.967 1.00 0.00 C ATOM 829 O THR A 57 -6.512 5.153 5.170 1.00 0.00 O ATOM 830 CB THR A 57 -6.846 7.968 3.732 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.819 8.921 3.328 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.535 8.305 3.021 1.00 0.00 C ATOM 0 H THR A 57 -8.743 6.167 4.850 1.00 0.00 H new ATOM 0 HA THR A 57 -7.230 6.489 2.294 1.00 0.00 H new ATOM 0 HB THR A 57 -6.698 8.004 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.510 9.822 3.558 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.225 9.315 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.764 7.596 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.680 8.244 1.942 1.00 0.00 H new ATOM 840 N LEU A 58 -5.750 4.685 3.113 1.00 0.00 N ATOM 841 CA LEU A 58 -4.893 3.572 3.514 1.00 0.00 C ATOM 842 C LEU A 58 -3.471 3.934 3.154 1.00 0.00 C ATOM 843 O LEU A 58 -3.225 4.359 2.025 1.00 0.00 O ATOM 844 CB LEU A 58 -5.294 2.263 2.812 1.00 0.00 C ATOM 845 CG LEU A 58 -6.653 1.694 3.237 1.00 0.00 C ATOM 846 CD1 LEU A 58 -6.939 0.409 2.454 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.665 1.422 4.736 1.00 0.00 C ATOM 0 H LEU A 58 -5.747 4.855 2.107 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.997 3.405 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.309 2.434 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.526 1.514 3.005 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.433 2.423 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.905 0.006 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.957 0.630 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.159 -0.324 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.635 1.018 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.885 0.702 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.483 2.351 5.276 1.00 0.00 H new ATOM 859 N ASN A 59 -2.536 3.774 4.086 1.00 0.00 N ATOM 860 CA ASN A 59 -1.132 4.090 3.858 1.00 0.00 C ATOM 861 C ASN A 59 -0.380 2.767 3.819 1.00 0.00 C ATOM 862 O ASN A 59 0.001 2.240 4.868 1.00 0.00 O ATOM 863 CB ASN A 59 -0.593 5.028 4.949 1.00 0.00 C ATOM 864 CG ASN A 59 -1.417 6.297 5.120 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.222 7.279 4.409 1.00 0.00 O ATOM 866 ND2 ASN A 59 -2.367 6.302 6.037 1.00 0.00 N ATOM 0 H ASN A 59 -2.732 3.421 5.022 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.999 4.622 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.566 4.491 5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.434 5.301 4.707 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.951 7.129 6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.517 5.479 6.620 1.00 0.00 H new ATOM 873 N ILE A 60 -0.236 2.194 2.628 1.00 0.00 N ATOM 874 CA ILE A 60 0.430 0.923 2.381 1.00 0.00 C ATOM 875 C ILE A 60 1.905 1.219 2.124 1.00 0.00 C ATOM 876 O ILE A 60 2.239 1.892 1.146 1.00 0.00 O ATOM 877 CB ILE A 60 -0.226 0.185 1.185 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.749 -0.011 1.387 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.456 -1.181 0.961 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.498 -0.388 0.106 1.00 0.00 C ATOM 0 H ILE A 60 -0.596 2.622 1.775 1.00 0.00 H new ATOM 0 HA ILE A 60 0.334 0.262 3.242 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.088 0.810 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.910 -0.789 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.174 0.909 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.014 -1.689 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.514 -1.029 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.350 -1.792 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.559 -0.508 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.369 0.400 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.101 -1.324 -0.286 1.00 0.00 H new ATOM 892 N GLN A 61 2.794 0.742 2.995 1.00 0.00 N ATOM 893 CA GLN A 61 4.226 0.951 2.830 1.00 0.00 C ATOM 894 C GLN A 61 4.904 -0.391 2.690 1.00 0.00 C ATOM 895 O GLN A 61 4.758 -1.279 3.534 1.00 0.00 O ATOM 896 CB GLN A 61 4.849 1.800 3.940 1.00 0.00 C ATOM 897 CG GLN A 61 4.343 3.243 3.823 1.00 0.00 C ATOM 898 CD GLN A 61 5.334 4.280 4.350 1.00 0.00 C ATOM 899 OE1 GLN A 61 5.063 4.995 5.311 1.00 0.00 O ATOM 900 NE2 GLN A 61 6.489 4.422 3.717 1.00 0.00 N ATOM 0 H GLN A 61 2.542 0.206 3.825 1.00 0.00 H new ATOM 0 HA GLN A 61 4.381 1.532 1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.589 1.390 4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.936 1.777 3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.124 3.459 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.405 3.337 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.710 3.826 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.157 5.127 4.027 1.00 0.00 H new ATOM 909 N PHE A 62 5.571 -0.540 1.556 1.00 0.00 N ATOM 910 CA PHE A 62 6.326 -1.719 1.187 1.00 0.00 C ATOM 911 C PHE A 62 7.703 -1.608 1.836 1.00 0.00 C ATOM 912 O PHE A 62 8.275 -0.510 1.869 1.00 0.00 O ATOM 913 CB PHE A 62 6.509 -1.768 -0.330 1.00 0.00 C ATOM 914 CG PHE A 62 5.289 -2.170 -1.140 1.00 0.00 C ATOM 915 CD1 PHE A 62 5.045 -3.533 -1.354 1.00 0.00 C ATOM 916 CD2 PHE A 62 4.442 -1.220 -1.739 1.00 0.00 C ATOM 917 CE1 PHE A 62 3.986 -3.961 -2.172 1.00 0.00 C ATOM 918 CE2 PHE A 62 3.383 -1.644 -2.562 1.00 0.00 C ATOM 919 CZ PHE A 62 3.150 -3.013 -2.779 1.00 0.00 C ATOM 0 H PHE A 62 5.600 0.188 0.842 1.00 0.00 H new ATOM 0 HA PHE A 62 5.801 -2.616 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.835 -0.784 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.315 -2.466 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.682 -4.267 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.605 -0.166 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.817 -5.015 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.743 -0.911 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.333 -3.332 -3.409 1.00 0.00 H new ATOM 929 N ALA A 63 8.228 -2.736 2.315 1.00 0.00 N ATOM 930 CA ALA A 63 9.536 -2.838 2.954 1.00 0.00 C ATOM 931 C ALA A 63 10.606 -3.341 1.977 1.00 0.00 C ATOM 932 O ALA A 63 11.802 -3.208 2.258 1.00 0.00 O ATOM 933 CB ALA A 63 9.444 -3.808 4.137 1.00 0.00 C ATOM 0 H ALA A 63 7.738 -3.630 2.267 1.00 0.00 H new ATOM 0 HA ALA A 63 9.825 -1.843 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.419 -3.888 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.714 -3.437 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.134 -4.790 3.779 1.00 0.00 H new ATOM 939 N GLY A 64 10.201 -3.877 0.820 1.00 0.00 N ATOM 940 CA GLY A 64 11.112 -4.409 -0.182 1.00 0.00 C ATOM 941 C GLY A 64 11.608 -5.794 0.233 1.00 0.00 C ATOM 942 O GLY A 64 11.366 -6.254 1.354 1.00 0.00 O ATOM 0 H GLY A 64 9.218 -3.951 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.607 -4.470 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.959 -3.735 -0.308 1.00 0.00 H new TER 946 GLY A 64