USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 111:sc= 0.915 USER MOD Single : A 6 SER OG : rot 72:sc= 1.23 USER MOD Single : A 8 MET CE :methyl 141:sc= -0.134 (180deg=-0.658) USER MOD Single : A 9 GLN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 13 MET CE :methyl 158:sc= -0.108 (180deg=-1.04) USER MOD Single : A 20 CYS SG : rot 77:sc= -4.11! USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -1.22! (180deg=-3.05!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 13:sc= -1.34! USER MOD Single : A 29 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.56) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.22 K(o=1.2,f=-0.03) USER MOD Single : A 42 HIS : no HE2:sc= -0.0277 K(o=-0.028,f=-1.4) USER MOD Single : A 43 MET CE :methyl 140:sc= -0.407 (180deg=-1.45!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 86 THR OG1 : rot 59:sc= 0.115 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 94 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 97 GLN : amide:sc=-0.00785 K(o=-0.0079,f=-0.99) USER MOD Single : A 102 THR OG1 : rot 146:sc= -1.31! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.771 X(o=-0.77,f=-0.55) USER MOD Single : A 105 ASN : amide:sc= -3.58! C(o=-3.6!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -44.247 10.868 1.141 1.00 5.46 N ATOM 16 CA ILE A 2 -43.511 9.686 0.718 1.00 4.94 C ATOM 17 C ILE A 2 -42.019 10.002 0.595 1.00 4.60 C ATOM 18 O ILE A 2 -41.534 10.393 -0.467 1.00 4.72 O ATOM 19 CB ILE A 2 -44.047 9.120 -0.616 1.00 4.98 C ATOM 20 CG1 ILE A 2 -45.557 8.873 -0.514 1.00 5.40 C ATOM 21 CG2 ILE A 2 -43.318 7.830 -0.963 1.00 4.52 C ATOM 22 CD1 ILE A 2 -46.172 8.327 -1.784 1.00 5.69 C ATOM 0 HA ILE A 2 -43.654 8.922 1.482 1.00 4.94 H new ATOM 0 HB ILE A 2 -43.868 9.846 -1.409 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -45.748 8.174 0.301 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -46.052 9.809 -0.254 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -43.702 7.437 -1.905 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -42.251 8.030 -1.061 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -43.479 7.097 -0.172 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -47.241 8.178 -1.635 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -46.014 9.034 -2.598 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -45.704 7.375 -2.035 1.00 5.69 H new ATOM 34 N ASP A 3 -41.307 9.842 1.704 1.00 4.29 N ATOM 35 CA ASP A 3 -39.882 10.147 1.760 1.00 4.07 C ATOM 36 C ASP A 3 -39.082 9.211 0.858 1.00 3.76 C ATOM 37 O ASP A 3 -38.683 8.118 1.263 1.00 3.50 O ATOM 38 CB ASP A 3 -39.367 10.050 3.198 1.00 3.99 C ATOM 39 CG ASP A 3 -37.880 10.334 3.301 1.00 4.25 C ATOM 40 OD1 ASP A 3 -37.504 11.520 3.411 1.00 4.60 O ATOM 41 OD2 ASP A 3 -37.082 9.373 3.276 1.00 4.39 O ATOM 0 H ASP A 3 -41.696 9.500 2.583 1.00 4.29 H new ATOM 0 HA ASP A 3 -39.748 11.168 1.402 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -39.913 10.755 3.825 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -39.571 9.053 3.588 1.00 3.99 H new ATOM 46 N GLU A 4 -38.873 9.638 -0.377 1.00 3.88 N ATOM 47 CA GLU A 4 -38.068 8.883 -1.325 1.00 3.72 C ATOM 48 C GLU A 4 -36.587 8.946 -0.977 1.00 3.64 C ATOM 49 O GLU A 4 -35.768 8.272 -1.597 1.00 3.58 O ATOM 50 CB GLU A 4 -38.315 9.375 -2.749 1.00 4.04 C ATOM 51 CG GLU A 4 -39.710 9.043 -3.244 1.00 4.23 C ATOM 52 CD GLU A 4 -39.912 9.358 -4.711 1.00 4.68 C ATOM 53 OE1 GLU A 4 -39.056 8.967 -5.533 1.00 4.67 O ATOM 54 OE2 GLU A 4 -40.943 9.975 -5.052 1.00 5.13 O ATOM 0 H GLU A 4 -39.252 10.509 -0.748 1.00 3.88 H new ATOM 0 HA GLU A 4 -38.373 7.838 -1.263 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -38.166 10.454 -2.788 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -37.580 8.927 -3.417 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -39.906 7.984 -3.076 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -40.440 9.599 -2.656 1.00 4.23 H new ATOM 61 N SER A 5 -36.246 9.743 0.023 1.00 3.76 N ATOM 62 CA SER A 5 -34.874 9.812 0.493 1.00 3.85 C ATOM 63 C SER A 5 -34.421 8.428 0.954 1.00 3.61 C ATOM 64 O SER A 5 -33.290 8.012 0.712 1.00 3.72 O ATOM 65 CB SER A 5 -34.770 10.812 1.645 1.00 4.10 C ATOM 66 OG SER A 5 -35.572 11.960 1.396 1.00 4.17 O ATOM 0 H SER A 5 -36.898 10.348 0.522 1.00 3.76 H new ATOM 0 HA SER A 5 -34.229 10.145 -0.320 1.00 3.85 H new ATOM 0 HB2 SER A 5 -35.087 10.337 2.574 1.00 4.10 H new ATOM 0 HB3 SER A 5 -33.731 11.112 1.779 1.00 4.10 H new ATOM 0 HG SER A 5 -36.333 11.968 2.014 1.00 4.17 H new ATOM 72 N SER A 6 -35.335 7.710 1.593 1.00 3.37 N ATOM 73 CA SER A 6 -35.062 6.374 2.096 1.00 3.21 C ATOM 74 C SER A 6 -34.775 5.391 0.954 1.00 3.07 C ATOM 75 O SER A 6 -33.763 4.679 0.970 1.00 3.14 O ATOM 76 CB SER A 6 -36.255 5.903 2.925 1.00 3.12 C ATOM 77 OG SER A 6 -36.548 6.835 3.957 1.00 3.42 O ATOM 0 H SER A 6 -36.283 8.038 1.776 1.00 3.37 H new ATOM 0 HA SER A 6 -34.170 6.408 2.721 1.00 3.21 H new ATOM 0 HB2 SER A 6 -37.126 5.780 2.281 1.00 3.12 H new ATOM 0 HB3 SER A 6 -36.040 4.927 3.360 1.00 3.12 H new ATOM 0 HG SER A 6 -36.949 7.640 3.567 1.00 3.42 H new ATOM 83 N VAL A 7 -35.650 5.367 -0.049 1.00 2.98 N ATOM 84 CA VAL A 7 -35.486 4.440 -1.162 1.00 2.91 C ATOM 85 C VAL A 7 -34.240 4.766 -1.968 1.00 3.12 C ATOM 86 O VAL A 7 -33.492 3.873 -2.356 1.00 3.14 O ATOM 87 CB VAL A 7 -36.718 4.403 -2.096 1.00 2.96 C ATOM 88 CG1 VAL A 7 -37.137 5.791 -2.543 1.00 3.24 C ATOM 89 CG2 VAL A 7 -36.430 3.532 -3.306 1.00 2.98 C ATOM 0 H VAL A 7 -36.469 5.971 -0.113 1.00 2.98 H new ATOM 0 HA VAL A 7 -35.379 3.450 -0.718 1.00 2.91 H new ATOM 0 HB VAL A 7 -37.545 3.978 -1.528 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -38.006 5.716 -3.197 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -37.391 6.393 -1.671 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -36.316 6.263 -3.083 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -37.304 3.513 -3.957 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -35.579 3.939 -3.853 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -36.200 2.518 -2.978 1.00 2.98 H new ATOM 99 N MET A 8 -34.009 6.047 -2.200 1.00 3.37 N ATOM 100 CA MET A 8 -32.833 6.484 -2.936 1.00 3.71 C ATOM 101 C MET A 8 -31.552 6.075 -2.217 1.00 3.85 C ATOM 102 O MET A 8 -30.528 5.835 -2.852 1.00 4.12 O ATOM 103 CB MET A 8 -32.869 7.995 -3.151 1.00 4.00 C ATOM 104 CG MET A 8 -34.009 8.433 -4.052 1.00 4.07 C ATOM 105 SD MET A 8 -34.060 10.219 -4.310 1.00 4.46 S ATOM 106 CE MET A 8 -32.460 10.505 -5.063 1.00 5.17 C ATOM 0 H MET A 8 -34.619 6.803 -1.890 1.00 3.37 H new ATOM 0 HA MET A 8 -32.842 5.994 -3.910 1.00 3.71 H new ATOM 0 HB2 MET A 8 -32.963 8.493 -2.186 1.00 4.00 H new ATOM 0 HB3 MET A 8 -31.923 8.318 -3.586 1.00 4.00 H new ATOM 0 HG2 MET A 8 -33.914 7.935 -5.017 1.00 4.07 H new ATOM 0 HG3 MET A 8 -34.954 8.107 -3.617 1.00 4.07 H new ATOM 0 HE1 MET A 8 -32.557 11.251 -5.852 1.00 5.17 H new ATOM 0 HE2 MET A 8 -31.761 10.864 -4.307 1.00 5.17 H new ATOM 0 HE3 MET A 8 -32.087 9.574 -5.489 1.00 5.17 H new ATOM 116 N GLN A 9 -31.612 5.991 -0.890 1.00 3.77 N ATOM 117 CA GLN A 9 -30.473 5.524 -0.110 1.00 4.01 C ATOM 118 C GLN A 9 -30.229 4.035 -0.334 1.00 3.96 C ATOM 119 O GLN A 9 -29.084 3.591 -0.333 1.00 4.33 O ATOM 120 CB GLN A 9 -30.668 5.826 1.376 1.00 4.00 C ATOM 121 CG GLN A 9 -30.513 7.300 1.706 1.00 4.36 C ATOM 122 CD GLN A 9 -30.798 7.612 3.159 1.00 4.96 C ATOM 123 OE1 GLN A 9 -29.904 7.578 4.002 1.00 5.38 O ATOM 124 NE2 GLN A 9 -32.045 7.930 3.458 1.00 5.37 N ATOM 0 H GLN A 9 -32.432 6.239 -0.337 1.00 3.77 H new ATOM 0 HA GLN A 9 -29.590 6.064 -0.452 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -31.660 5.493 1.682 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -29.946 5.251 1.956 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -29.498 7.616 1.464 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -31.187 7.881 1.076 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -32.756 7.946 2.727 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -32.296 8.159 4.420 1.00 5.37 H new ATOM 133 N LEU A 10 -31.298 3.260 -0.524 1.00 3.56 N ATOM 134 CA LEU A 10 -31.130 1.862 -0.931 1.00 3.52 C ATOM 135 C LEU A 10 -30.552 1.817 -2.336 1.00 3.65 C ATOM 136 O LEU A 10 -29.588 1.109 -2.618 1.00 3.90 O ATOM 137 CB LEU A 10 -32.452 1.090 -0.999 1.00 3.15 C ATOM 138 CG LEU A 10 -33.454 1.249 0.136 1.00 3.03 C ATOM 139 CD1 LEU A 10 -34.581 0.261 -0.061 1.00 2.85 C ATOM 140 CD2 LEU A 10 -32.815 1.038 1.493 1.00 3.23 C ATOM 0 H LEU A 10 -32.265 3.564 -0.407 1.00 3.56 H new ATOM 0 HA LEU A 10 -30.483 1.406 -0.182 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -32.953 1.375 -1.924 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -32.211 0.030 -1.080 1.00 3.15 H new ATOM 0 HG LEU A 10 -33.835 2.270 0.113 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -35.304 0.368 0.748 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -35.072 0.455 -1.015 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -34.181 -0.753 -0.058 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -33.567 1.161 2.272 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -32.398 0.032 1.547 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -32.019 1.769 1.638 1.00 3.23 H new ATOM 152 N ALA A 11 -31.161 2.621 -3.196 1.00 3.56 N ATOM 153 CA ALA A 11 -30.921 2.586 -4.630 1.00 3.74 C ATOM 154 C ALA A 11 -29.481 2.922 -4.985 1.00 4.22 C ATOM 155 O ALA A 11 -28.855 2.230 -5.787 1.00 4.46 O ATOM 156 CB ALA A 11 -31.877 3.550 -5.321 1.00 3.71 C ATOM 0 H ALA A 11 -31.844 3.324 -2.913 1.00 3.56 H new ATOM 0 HA ALA A 11 -31.100 1.568 -4.977 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -31.702 3.528 -6.397 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -32.905 3.253 -5.115 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -31.709 4.560 -4.947 1.00 3.71 H new ATOM 162 N GLU A 12 -28.957 3.976 -4.371 1.00 4.41 N ATOM 163 CA GLU A 12 -27.600 4.438 -4.659 1.00 4.92 C ATOM 164 C GLU A 12 -26.573 3.345 -4.398 1.00 5.14 C ATOM 165 O GLU A 12 -25.579 3.216 -5.115 1.00 5.60 O ATOM 166 CB GLU A 12 -27.267 5.667 -3.811 1.00 5.13 C ATOM 167 CG GLU A 12 -27.027 5.378 -2.337 1.00 5.27 C ATOM 168 CD GLU A 12 -26.355 6.529 -1.618 1.00 5.79 C ATOM 169 OE1 GLU A 12 -27.059 7.489 -1.241 1.00 5.95 O ATOM 170 OE2 GLU A 12 -25.119 6.484 -1.429 1.00 6.27 O ATOM 0 H GLU A 12 -29.450 4.529 -3.670 1.00 4.41 H new ATOM 0 HA GLU A 12 -27.559 4.702 -5.716 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -26.378 6.145 -4.223 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -28.084 6.384 -3.898 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -27.979 5.160 -1.854 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -26.409 4.485 -2.242 1.00 5.27 H new ATOM 177 N MET A 13 -26.828 2.565 -3.370 1.00 4.88 N ATOM 178 CA MET A 13 -25.909 1.512 -2.962 1.00 5.14 C ATOM 179 C MET A 13 -26.344 0.141 -3.474 1.00 4.89 C ATOM 180 O MET A 13 -25.755 -0.874 -3.096 1.00 5.03 O ATOM 181 CB MET A 13 -25.764 1.480 -1.438 1.00 5.20 C ATOM 182 CG MET A 13 -27.051 1.135 -0.714 1.00 4.86 C ATOM 183 SD MET A 13 -26.827 0.954 1.067 1.00 5.10 S ATOM 184 CE MET A 13 -28.505 0.583 1.574 1.00 5.16 C ATOM 0 H MET A 13 -27.668 2.637 -2.795 1.00 4.88 H new ATOM 0 HA MET A 13 -24.942 1.742 -3.409 1.00 5.14 H new ATOM 0 HB2 MET A 13 -24.999 0.752 -1.169 1.00 5.20 H new ATOM 0 HB3 MET A 13 -25.413 2.453 -1.094 1.00 5.20 H new ATOM 0 HG2 MET A 13 -27.789 1.914 -0.905 1.00 4.86 H new ATOM 0 HG3 MET A 13 -27.453 0.207 -1.121 1.00 4.86 H new ATOM 0 HE1 MET A 13 -28.490 0.072 2.536 1.00 5.16 H new ATOM 0 HE2 MET A 13 -29.071 1.510 1.665 1.00 5.16 H new ATOM 0 HE3 MET A 13 -28.977 -0.059 0.830 1.00 5.16 H new ATOM 194 N GLY A 14 -27.369 0.094 -4.321 1.00 4.62 N ATOM 195 CA GLY A 14 -27.771 -1.179 -4.891 1.00 4.51 C ATOM 196 C GLY A 14 -29.216 -1.233 -5.357 1.00 4.38 C ATOM 197 O GLY A 14 -30.130 -1.359 -4.544 1.00 4.75 O ATOM 0 H GLY A 14 -27.920 0.900 -4.618 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -27.121 -1.405 -5.736 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -27.613 -1.961 -4.149 1.00 4.51 H new ATOM 201 N PHE A 15 -29.398 -1.142 -6.681 1.00 4.09 N ATOM 202 CA PHE A 15 -30.680 -1.411 -7.352 1.00 4.04 C ATOM 203 C PHE A 15 -31.738 -0.329 -7.104 1.00 3.73 C ATOM 204 O PHE A 15 -31.898 0.171 -5.992 1.00 3.48 O ATOM 205 CB PHE A 15 -31.233 -2.781 -6.939 1.00 4.10 C ATOM 206 CG PHE A 15 -30.341 -3.932 -7.314 1.00 4.27 C ATOM 207 CD1 PHE A 15 -30.196 -4.311 -8.639 1.00 4.60 C ATOM 208 CD2 PHE A 15 -29.645 -4.632 -6.341 1.00 4.36 C ATOM 209 CE1 PHE A 15 -29.375 -5.365 -8.986 1.00 5.01 C ATOM 210 CE2 PHE A 15 -28.821 -5.687 -6.682 1.00 4.78 C ATOM 211 CZ PHE A 15 -28.686 -6.055 -8.009 1.00 5.09 C ATOM 0 H PHE A 15 -28.652 -0.877 -7.325 1.00 4.09 H new ATOM 0 HA PHE A 15 -30.464 -1.405 -8.420 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -31.388 -2.790 -5.860 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -32.209 -2.924 -7.403 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -30.732 -3.776 -9.409 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -29.748 -4.349 -5.304 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -29.272 -5.650 -10.023 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -28.283 -6.224 -5.914 1.00 4.78 H new ATOM 0 HZ PHE A 15 -28.043 -6.880 -8.280 1.00 5.09 H new ATOM 221 N PRO A 16 -32.484 0.041 -8.164 1.00 3.83 N ATOM 222 CA PRO A 16 -33.590 1.001 -8.072 1.00 3.69 C ATOM 223 C PRO A 16 -34.794 0.395 -7.357 1.00 3.43 C ATOM 224 O PRO A 16 -35.732 -0.090 -7.992 1.00 3.52 O ATOM 225 CB PRO A 16 -33.926 1.282 -9.537 1.00 4.05 C ATOM 226 CG PRO A 16 -33.564 0.018 -10.230 1.00 4.25 C ATOM 227 CD PRO A 16 -32.320 -0.466 -9.542 1.00 4.22 C ATOM 0 HA PRO A 16 -33.328 1.894 -7.504 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -34.981 1.522 -9.667 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -33.357 2.128 -9.923 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -34.366 -0.716 -10.155 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -33.386 0.188 -11.292 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -32.243 -1.553 -9.566 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -31.419 -0.072 -10.013 1.00 4.22 H new ATOM 235 N LEU A 17 -34.764 0.418 -6.038 1.00 3.19 N ATOM 236 CA LEU A 17 -35.785 -0.246 -5.245 1.00 3.02 C ATOM 237 C LEU A 17 -37.059 0.589 -5.130 1.00 3.04 C ATOM 238 O LEU A 17 -37.465 0.962 -4.035 1.00 2.93 O ATOM 239 CB LEU A 17 -35.227 -0.612 -3.863 1.00 2.86 C ATOM 240 CG LEU A 17 -34.033 -1.569 -3.906 1.00 2.99 C ATOM 241 CD1 LEU A 17 -33.553 -1.891 -2.504 1.00 3.21 C ATOM 242 CD2 LEU A 17 -34.395 -2.846 -4.653 1.00 3.29 C ATOM 0 H LEU A 17 -34.044 0.889 -5.491 1.00 3.19 H new ATOM 0 HA LEU A 17 -36.064 -1.165 -5.761 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -34.928 0.302 -3.350 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -36.022 -1.065 -3.270 1.00 2.86 H new ATOM 0 HG LEU A 17 -33.221 -1.076 -4.441 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -32.704 -2.573 -2.558 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -33.249 -0.972 -2.003 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -34.360 -2.361 -1.942 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -33.533 -3.513 -4.672 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -35.225 -3.340 -4.148 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -34.687 -2.600 -5.674 1.00 3.29 H new ATOM 254 N GLU A 18 -37.699 0.875 -6.267 1.00 3.30 N ATOM 255 CA GLU A 18 -38.989 1.553 -6.284 1.00 3.51 C ATOM 256 C GLU A 18 -40.013 0.786 -5.441 1.00 3.51 C ATOM 257 O GLU A 18 -41.019 1.341 -5.004 1.00 3.70 O ATOM 258 CB GLU A 18 -39.463 1.691 -7.725 1.00 3.90 C ATOM 259 CG GLU A 18 -40.202 2.983 -8.017 1.00 4.24 C ATOM 260 CD GLU A 18 -41.698 2.894 -7.762 1.00 4.90 C ATOM 261 OE1 GLU A 18 -42.413 2.280 -8.582 1.00 5.48 O ATOM 262 OE2 GLU A 18 -42.173 3.440 -6.741 1.00 5.09 O ATOM 0 H GLU A 18 -37.338 0.644 -7.192 1.00 3.30 H new ATOM 0 HA GLU A 18 -38.882 2.546 -5.848 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -38.600 1.622 -8.387 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -40.116 0.851 -7.963 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -39.783 3.779 -7.402 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -40.034 3.262 -9.057 1.00 4.24 H new ATOM 269 N ALA A 19 -39.744 -0.496 -5.217 1.00 3.41 N ATOM 270 CA ALA A 19 -40.529 -1.295 -4.286 1.00 3.49 C ATOM 271 C ALA A 19 -40.483 -0.671 -2.903 1.00 3.32 C ATOM 272 O ALA A 19 -41.455 -0.697 -2.157 1.00 3.54 O ATOM 273 CB ALA A 19 -39.997 -2.711 -4.240 1.00 3.45 C ATOM 0 H ALA A 19 -38.985 -1.005 -5.670 1.00 3.41 H new ATOM 0 HA ALA A 19 -41.564 -1.322 -4.626 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -40.591 -3.300 -3.541 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -40.059 -3.155 -5.233 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -38.957 -2.699 -3.912 1.00 3.45 H new ATOM 279 N CYS A 20 -39.336 -0.099 -2.577 1.00 3.03 N ATOM 280 CA CYS A 20 -39.163 0.629 -1.334 1.00 2.94 C ATOM 281 C CYS A 20 -39.875 1.964 -1.415 1.00 3.13 C ATOM 282 O CYS A 20 -40.412 2.438 -0.435 1.00 3.27 O ATOM 283 CB CYS A 20 -37.691 0.885 -1.031 1.00 2.73 C ATOM 284 SG CYS A 20 -37.405 1.543 0.629 1.00 2.75 S ATOM 0 H CYS A 20 -38.503 -0.127 -3.165 1.00 3.03 H new ATOM 0 HA CYS A 20 -39.585 0.016 -0.537 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -37.137 -0.046 -1.145 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -37.293 1.585 -1.765 1.00 2.73 H new ATOM 0 HG CYS A 20 -37.499 0.582 1.499 1.00 2.75 H new ATOM 290 N ARG A 21 -39.854 2.572 -2.591 1.00 3.24 N ATOM 291 CA ARG A 21 -40.538 3.844 -2.798 1.00 3.55 C ATOM 292 C ARG A 21 -42.024 3.689 -2.447 1.00 3.89 C ATOM 293 O ARG A 21 -42.591 4.478 -1.678 1.00 4.07 O ATOM 294 CB ARG A 21 -40.346 4.305 -4.250 1.00 3.75 C ATOM 295 CG ARG A 21 -40.445 5.809 -4.448 1.00 4.17 C ATOM 296 CD ARG A 21 -41.883 6.298 -4.466 1.00 4.74 C ATOM 297 NE ARG A 21 -42.574 5.923 -5.697 1.00 5.08 N ATOM 298 CZ ARG A 21 -43.246 6.779 -6.460 1.00 5.56 C ATOM 299 NH1 ARG A 21 -43.264 8.074 -6.162 1.00 5.80 N ATOM 300 NH2 ARG A 21 -43.876 6.353 -7.544 1.00 6.10 N ATOM 0 H ARG A 21 -39.374 2.209 -3.415 1.00 3.24 H new ATOM 0 HA ARG A 21 -40.113 4.607 -2.146 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -39.370 3.968 -4.600 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -41.094 3.818 -4.875 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -39.902 6.314 -3.649 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -39.960 6.082 -5.385 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -42.417 5.885 -3.610 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -41.898 7.383 -4.358 1.00 4.74 H new ATOM 0 HE ARG A 21 -42.539 4.946 -5.988 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -42.760 8.416 -5.344 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -43.782 8.726 -6.752 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -43.847 5.365 -7.796 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -44.391 7.013 -8.127 1.00 6.10 H new ATOM 314 N LYS A 22 -42.638 2.640 -2.972 1.00 4.03 N ATOM 315 CA LYS A 22 -44.027 2.341 -2.649 1.00 4.43 C ATOM 316 C LYS A 22 -44.132 1.763 -1.232 1.00 4.38 C ATOM 317 O LYS A 22 -45.162 1.895 -0.577 1.00 4.73 O ATOM 318 CB LYS A 22 -44.631 1.391 -3.693 1.00 4.63 C ATOM 319 CG LYS A 22 -43.985 0.017 -3.731 1.00 4.60 C ATOM 320 CD LYS A 22 -44.350 -0.759 -4.992 1.00 4.73 C ATOM 321 CE LYS A 22 -43.509 -0.338 -6.195 1.00 4.49 C ATOM 322 NZ LYS A 22 -43.837 1.032 -6.676 1.00 4.77 N ATOM 0 H LYS A 22 -42.201 1.984 -3.620 1.00 4.03 H new ATOM 0 HA LYS A 22 -44.602 3.266 -2.675 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -45.695 1.274 -3.489 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -44.543 1.849 -4.678 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -42.902 0.125 -3.674 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -44.295 -0.552 -2.854 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -44.214 -1.825 -4.812 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -45.405 -0.606 -5.218 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -42.453 -0.381 -5.928 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -43.662 -1.050 -7.006 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -43.465 1.160 -7.639 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -44.869 1.159 -6.684 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -43.407 1.735 -6.042 1.00 4.77 H new ATOM 336 N ALA A 23 -43.049 1.152 -0.756 1.00 4.00 N ATOM 337 CA ALA A 23 -42.975 0.659 0.620 1.00 4.00 C ATOM 338 C ALA A 23 -42.992 1.817 1.605 1.00 4.05 C ATOM 339 O ALA A 23 -43.583 1.730 2.673 1.00 4.34 O ATOM 340 CB ALA A 23 -41.722 -0.168 0.822 1.00 3.66 C ATOM 0 H ALA A 23 -42.206 0.985 -1.305 1.00 4.00 H new ATOM 0 HA ALA A 23 -43.846 0.030 0.801 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -41.684 -0.526 1.851 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -41.735 -1.020 0.142 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -40.844 0.446 0.619 1.00 3.66 H new ATOM 346 N VAL A 24 -42.312 2.893 1.242 1.00 3.82 N ATOM 347 CA VAL A 24 -42.355 4.128 2.008 1.00 3.90 C ATOM 348 C VAL A 24 -43.788 4.644 2.079 1.00 4.37 C ATOM 349 O VAL A 24 -44.224 5.169 3.105 1.00 4.58 O ATOM 350 CB VAL A 24 -41.440 5.211 1.393 1.00 3.69 C ATOM 351 CG1 VAL A 24 -41.606 6.539 2.106 1.00 3.86 C ATOM 352 CG2 VAL A 24 -39.985 4.774 1.435 1.00 3.33 C ATOM 0 H VAL A 24 -41.718 2.935 0.414 1.00 3.82 H new ATOM 0 HA VAL A 24 -41.991 3.911 3.012 1.00 3.90 H new ATOM 0 HB VAL A 24 -41.737 5.342 0.352 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -40.950 7.281 1.651 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -42.641 6.870 2.022 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -41.347 6.422 3.158 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -39.359 5.551 0.997 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -39.685 4.606 2.469 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -39.866 3.850 0.869 1.00 3.33 H new ATOM 362 N TYR A 25 -44.520 4.490 0.984 1.00 4.58 N ATOM 363 CA TYR A 25 -45.948 4.784 0.988 1.00 5.10 C ATOM 364 C TYR A 25 -46.681 3.885 1.997 1.00 5.36 C ATOM 365 O TYR A 25 -47.558 4.349 2.725 1.00 5.71 O ATOM 366 CB TYR A 25 -46.536 4.611 -0.416 1.00 5.32 C ATOM 367 CG TYR A 25 -48.030 4.825 -0.481 1.00 5.87 C ATOM 368 CD1 TYR A 25 -48.576 6.102 -0.424 1.00 6.18 C ATOM 369 CD2 TYR A 25 -48.893 3.748 -0.601 1.00 6.12 C ATOM 370 CE1 TYR A 25 -49.941 6.295 -0.485 1.00 6.71 C ATOM 371 CE2 TYR A 25 -50.257 3.932 -0.664 1.00 6.65 C ATOM 372 CZ TYR A 25 -50.775 5.229 -0.597 1.00 6.94 C ATOM 373 OH TYR A 25 -52.140 5.392 -0.664 1.00 7.48 O ATOM 0 H TYR A 25 -44.154 4.166 0.089 1.00 4.58 H new ATOM 0 HA TYR A 25 -46.085 5.822 1.291 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -46.048 5.312 -1.093 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -46.306 3.608 -0.775 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -47.922 6.956 -0.331 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -48.490 2.747 -0.646 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -50.347 7.295 -0.444 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -50.918 3.084 -0.764 1.00 6.65 H new ATOM 0 HH TYR A 25 -52.571 4.515 -0.743 1.00 7.48 H new ATOM 383 N PHE A 26 -46.303 2.605 2.045 1.00 5.24 N ATOM 384 CA PHE A 26 -46.869 1.666 3.018 1.00 5.55 C ATOM 385 C PHE A 26 -46.501 2.059 4.446 1.00 5.56 C ATOM 386 O PHE A 26 -47.355 2.071 5.333 1.00 5.98 O ATOM 387 CB PHE A 26 -46.383 0.231 2.763 1.00 5.42 C ATOM 388 CG PHE A 26 -46.978 -0.428 1.552 1.00 5.81 C ATOM 389 CD1 PHE A 26 -48.329 -0.712 1.500 1.00 6.32 C ATOM 390 CD2 PHE A 26 -46.188 -0.743 0.458 1.00 5.81 C ATOM 391 CE1 PHE A 26 -48.885 -1.302 0.385 1.00 6.79 C ATOM 392 CE2 PHE A 26 -46.738 -1.329 -0.663 1.00 6.37 C ATOM 393 CZ PHE A 26 -48.062 -1.686 -0.671 1.00 6.84 C ATOM 0 H PHE A 26 -45.608 2.195 1.422 1.00 5.24 H new ATOM 0 HA PHE A 26 -47.951 1.707 2.896 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -45.298 0.243 2.657 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -46.611 -0.376 3.639 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -48.958 -0.469 2.344 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -45.130 -0.527 0.483 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -49.951 -1.465 0.331 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -46.126 -1.507 -1.535 1.00 6.37 H new ATOM 0 HZ PHE A 26 -48.464 -2.262 -1.491 1.00 6.84 H new ATOM 403 N THR A 27 -45.228 2.378 4.658 1.00 5.14 N ATOM 404 CA THR A 27 -44.727 2.713 5.987 1.00 5.20 C ATOM 405 C THR A 27 -45.252 4.069 6.464 1.00 5.47 C ATOM 406 O THR A 27 -45.123 4.421 7.635 1.00 5.71 O ATOM 407 CB THR A 27 -43.186 2.724 6.027 1.00 4.75 C ATOM 408 OG1 THR A 27 -42.669 3.551 4.981 1.00 4.44 O ATOM 409 CG2 THR A 27 -42.627 1.318 5.880 1.00 4.59 C ATOM 0 H THR A 27 -44.522 2.412 3.923 1.00 5.14 H new ATOM 0 HA THR A 27 -45.094 1.936 6.658 1.00 5.20 H new ATOM 0 HB THR A 27 -42.880 3.124 6.994 1.00 4.75 H new ATOM 0 HG1 THR A 27 -43.395 4.088 4.599 1.00 4.44 H new ATOM 0 HG21 THR A 27 -41.538 1.354 5.912 1.00 4.59 H new ATOM 0 HG22 THR A 27 -42.993 0.694 6.695 1.00 4.59 H new ATOM 0 HG23 THR A 27 -42.949 0.896 4.928 1.00 4.59 H new ATOM 417 N GLY A 28 -45.851 4.823 5.547 1.00 5.48 N ATOM 418 CA GLY A 28 -46.358 6.140 5.882 1.00 5.75 C ATOM 419 C GLY A 28 -45.235 7.145 6.025 1.00 5.44 C ATOM 420 O GLY A 28 -45.272 7.999 6.911 1.00 5.64 O ATOM 0 H GLY A 28 -45.994 4.544 4.576 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -47.050 6.473 5.108 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -46.922 6.088 6.813 1.00 5.75 H new ATOM 424 N ASN A 29 -44.236 7.019 5.142 1.00 5.01 N ATOM 425 CA ASN A 29 -43.021 7.846 5.155 1.00 4.73 C ATOM 426 C ASN A 29 -42.463 8.018 6.564 1.00 4.74 C ATOM 427 O ASN A 29 -42.135 9.126 6.991 1.00 4.97 O ATOM 428 CB ASN A 29 -43.212 9.211 4.450 1.00 4.95 C ATOM 429 CG ASN A 29 -44.434 10.000 4.887 1.00 4.86 C ATOM 430 OD1 ASN A 29 -45.509 9.874 4.297 1.00 4.99 O ATOM 431 ND2 ASN A 29 -44.277 10.843 5.895 1.00 5.06 N ATOM 0 H ASN A 29 -44.248 6.331 4.389 1.00 5.01 H new ATOM 0 HA ASN A 29 -42.280 7.298 4.572 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -42.325 9.820 4.625 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -43.275 9.041 3.375 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -45.061 11.416 6.208 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -43.372 10.920 6.359 1.00 5.06 H new ATOM 438 N MET A 30 -42.354 6.902 7.276 1.00 4.58 N ATOM 439 CA MET A 30 -41.747 6.885 8.601 1.00 4.71 C ATOM 440 C MET A 30 -40.275 7.271 8.523 1.00 4.46 C ATOM 441 O MET A 30 -39.864 8.305 9.049 1.00 4.65 O ATOM 442 CB MET A 30 -41.882 5.497 9.230 1.00 4.89 C ATOM 443 CG MET A 30 -43.209 5.267 9.930 1.00 5.35 C ATOM 444 SD MET A 30 -43.326 3.619 10.650 1.00 5.80 S ATOM 445 CE MET A 30 -44.964 3.684 11.374 1.00 6.28 C ATOM 0 H MET A 30 -42.681 5.991 6.954 1.00 4.58 H new ATOM 0 HA MET A 30 -42.269 7.612 9.223 1.00 4.71 H new ATOM 0 HB2 MET A 30 -41.756 4.743 8.453 1.00 4.89 H new ATOM 0 HB3 MET A 30 -41.074 5.353 9.947 1.00 4.89 H new ATOM 0 HG2 MET A 30 -43.338 6.013 10.714 1.00 5.35 H new ATOM 0 HG3 MET A 30 -44.022 5.409 9.218 1.00 5.35 H new ATOM 0 HE1 MET A 30 -45.185 2.734 11.860 1.00 6.28 H new ATOM 0 HE2 MET A 30 -45.005 4.486 12.111 1.00 6.28 H new ATOM 0 HE3 MET A 30 -45.700 3.872 10.592 1.00 6.28 H new ATOM 455 N GLY A 31 -39.495 6.438 7.850 1.00 4.17 N ATOM 456 CA GLY A 31 -38.075 6.687 7.720 1.00 4.03 C ATOM 457 C GLY A 31 -37.371 5.548 7.023 1.00 3.77 C ATOM 458 O GLY A 31 -38.002 4.555 6.654 1.00 3.68 O ATOM 0 H GLY A 31 -39.823 5.589 7.389 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -37.917 7.609 7.161 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -37.639 6.834 8.708 1.00 4.03 H new ATOM 462 N ALA A 32 -36.064 5.687 6.858 1.00 3.73 N ATOM 463 CA ALA A 32 -35.264 4.695 6.155 1.00 3.58 C ATOM 464 C ALA A 32 -35.236 3.367 6.898 1.00 3.72 C ATOM 465 O ALA A 32 -35.207 2.310 6.279 1.00 3.56 O ATOM 466 CB ALA A 32 -33.850 5.213 5.949 1.00 3.73 C ATOM 0 H ALA A 32 -35.531 6.485 7.205 1.00 3.73 H new ATOM 0 HA ALA A 32 -35.728 4.521 5.184 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -33.261 4.462 5.422 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -33.881 6.130 5.360 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -33.393 5.419 6.917 1.00 3.73 H new ATOM 472 N GLU A 33 -35.265 3.429 8.225 1.00 4.10 N ATOM 473 CA GLU A 33 -35.162 2.231 9.063 1.00 4.38 C ATOM 474 C GLU A 33 -36.202 1.178 8.680 1.00 4.28 C ATOM 475 O GLU A 33 -35.860 0.080 8.233 1.00 4.30 O ATOM 476 CB GLU A 33 -35.332 2.599 10.539 1.00 4.91 C ATOM 477 CG GLU A 33 -34.285 3.573 11.051 1.00 5.11 C ATOM 478 CD GLU A 33 -32.881 3.015 10.969 1.00 5.12 C ATOM 479 OE1 GLU A 33 -32.457 2.322 11.916 1.00 5.46 O ATOM 480 OE2 GLU A 33 -32.190 3.281 9.966 1.00 5.09 O ATOM 0 H GLU A 33 -35.359 4.299 8.749 1.00 4.10 H new ATOM 0 HA GLU A 33 -34.171 1.807 8.900 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -36.321 3.033 10.684 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -35.292 1.689 11.138 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -34.339 4.496 10.473 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -34.510 3.831 12.086 1.00 5.11 H new ATOM 487 N VAL A 34 -37.472 1.520 8.840 1.00 4.27 N ATOM 488 CA VAL A 34 -38.545 0.581 8.605 1.00 4.34 C ATOM 489 C VAL A 34 -38.680 0.215 7.127 1.00 4.01 C ATOM 490 O VAL A 34 -39.064 -0.902 6.798 1.00 4.11 O ATOM 491 CB VAL A 34 -39.879 1.117 9.151 1.00 4.54 C ATOM 492 CG1 VAL A 34 -39.851 1.198 10.672 1.00 4.83 C ATOM 493 CG2 VAL A 34 -40.187 2.466 8.553 1.00 4.88 C ATOM 0 H VAL A 34 -37.780 2.447 9.133 1.00 4.27 H new ATOM 0 HA VAL A 34 -38.289 -0.331 9.145 1.00 4.34 H new ATOM 0 HB VAL A 34 -40.669 0.422 8.865 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -40.806 1.580 11.034 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -39.677 0.205 11.086 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -39.050 1.867 10.986 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -41.134 2.832 8.949 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -39.392 3.167 8.808 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -40.258 2.376 7.469 1.00 4.88 H new ATOM 503 N ALA A 35 -38.339 1.138 6.237 1.00 3.68 N ATOM 504 CA ALA A 35 -38.460 0.875 4.813 1.00 3.42 C ATOM 505 C ALA A 35 -37.312 0.012 4.291 1.00 3.28 C ATOM 506 O ALA A 35 -37.509 -0.812 3.396 1.00 3.21 O ATOM 507 CB ALA A 35 -38.561 2.156 4.020 1.00 3.22 C ATOM 0 H ALA A 35 -37.981 2.063 6.474 1.00 3.68 H new ATOM 0 HA ALA A 35 -39.385 0.315 4.677 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -38.650 1.921 2.959 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -39.439 2.716 4.343 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -37.667 2.757 4.185 1.00 3.22 H new ATOM 513 N PHE A 36 -36.112 0.212 4.831 1.00 3.36 N ATOM 514 CA PHE A 36 -34.977 -0.643 4.502 1.00 3.45 C ATOM 515 C PHE A 36 -35.320 -2.085 4.863 1.00 3.68 C ATOM 516 O PHE A 36 -35.093 -3.014 4.088 1.00 3.69 O ATOM 517 CB PHE A 36 -33.717 -0.189 5.254 1.00 3.70 C ATOM 518 CG PHE A 36 -32.545 -1.115 5.087 1.00 3.98 C ATOM 519 CD1 PHE A 36 -31.884 -1.207 3.872 1.00 3.93 C ATOM 520 CD2 PHE A 36 -32.105 -1.897 6.145 1.00 4.38 C ATOM 521 CE1 PHE A 36 -30.808 -2.058 3.716 1.00 4.29 C ATOM 522 CE2 PHE A 36 -31.029 -2.750 5.993 1.00 4.71 C ATOM 523 CZ PHE A 36 -30.373 -2.823 4.783 1.00 4.66 C ATOM 0 H PHE A 36 -35.902 0.956 5.496 1.00 3.36 H new ATOM 0 HA PHE A 36 -34.772 -0.572 3.434 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -33.436 0.805 4.906 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -33.950 -0.101 6.315 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -32.215 -0.606 3.038 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -32.609 -1.838 7.098 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -30.307 -2.126 2.762 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -30.702 -3.360 6.822 1.00 4.71 H new ATOM 0 HZ PHE A 36 -29.521 -3.476 4.668 1.00 4.66 H new ATOM 533 N ASN A 37 -35.903 -2.258 6.042 1.00 3.94 N ATOM 534 CA ASN A 37 -36.359 -3.567 6.485 1.00 4.25 C ATOM 535 C ASN A 37 -37.492 -4.077 5.606 1.00 4.16 C ATOM 536 O ASN A 37 -37.598 -5.279 5.346 1.00 4.35 O ATOM 537 CB ASN A 37 -36.830 -3.505 7.937 1.00 4.57 C ATOM 538 CG ASN A 37 -35.680 -3.521 8.926 1.00 5.25 C ATOM 539 OD1 ASN A 37 -35.225 -4.587 9.342 1.00 5.69 O ATOM 540 ND2 ASN A 37 -35.205 -2.351 9.318 1.00 5.66 N ATOM 0 H ASN A 37 -36.071 -1.505 6.710 1.00 3.94 H new ATOM 0 HA ASN A 37 -35.518 -4.256 6.407 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -37.419 -2.600 8.085 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -37.488 -4.350 8.138 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -34.436 -2.311 9.987 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -35.608 -1.488 8.951 1.00 5.66 H new ATOM 547 N TRP A 38 -38.332 -3.158 5.139 1.00 3.97 N ATOM 548 CA TRP A 38 -39.490 -3.515 4.338 1.00 4.01 C ATOM 549 C TRP A 38 -39.053 -4.098 2.996 1.00 3.81 C ATOM 550 O TRP A 38 -39.674 -5.030 2.471 1.00 4.02 O ATOM 551 CB TRP A 38 -40.382 -2.284 4.124 1.00 3.96 C ATOM 552 CG TRP A 38 -41.794 -2.630 3.755 1.00 4.29 C ATOM 553 CD1 TRP A 38 -42.253 -3.002 2.525 1.00 4.58 C ATOM 554 CD2 TRP A 38 -42.932 -2.626 4.623 1.00 4.67 C ATOM 555 NE1 TRP A 38 -43.604 -3.236 2.576 1.00 4.88 N ATOM 556 CE2 TRP A 38 -44.045 -3.011 3.854 1.00 4.93 C ATOM 557 CE3 TRP A 38 -43.114 -2.338 5.977 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -45.325 -3.108 4.393 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -44.383 -2.438 6.512 1.00 5.81 C ATOM 560 CH2 TRP A 38 -45.474 -2.822 5.724 1.00 5.87 C ATOM 0 H TRP A 38 -38.228 -2.157 5.305 1.00 3.97 H new ATOM 0 HA TRP A 38 -40.063 -4.274 4.870 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -40.388 -1.686 5.035 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -39.950 -1.664 3.339 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -41.642 -3.098 1.640 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -44.185 -3.530 1.791 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -42.278 -2.043 6.594 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -46.169 -3.398 3.784 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -44.536 -2.216 7.558 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -46.453 -2.894 6.175 1.00 5.87 H new ATOM 571 N ILE A 39 -37.973 -3.561 2.448 1.00 3.49 N ATOM 572 CA ILE A 39 -37.497 -3.996 1.146 1.00 3.34 C ATOM 573 C ILE A 39 -36.772 -5.328 1.238 1.00 3.60 C ATOM 574 O ILE A 39 -36.961 -6.204 0.399 1.00 3.69 O ATOM 575 CB ILE A 39 -36.582 -2.931 0.483 1.00 3.04 C ATOM 576 CG1 ILE A 39 -36.558 -3.133 -1.027 1.00 2.98 C ATOM 577 CG2 ILE A 39 -35.157 -2.973 1.028 1.00 3.21 C ATOM 578 CD1 ILE A 39 -37.926 -3.070 -1.656 1.00 3.10 C ATOM 0 H ILE A 39 -37.413 -2.827 2.883 1.00 3.49 H new ATOM 0 HA ILE A 39 -38.377 -4.125 0.515 1.00 3.34 H new ATOM 0 HB ILE A 39 -36.999 -1.953 0.722 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -35.922 -2.372 -1.479 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -36.106 -4.100 -1.251 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -34.556 -2.210 0.534 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -35.172 -2.784 2.101 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -34.724 -3.955 0.839 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -37.839 -3.221 -2.732 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -38.559 -3.849 -1.230 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -38.371 -2.094 -1.462 1.00 3.10 H new ATOM 590 N ILE A 40 -35.960 -5.490 2.265 1.00 3.82 N ATOM 591 CA ILE A 40 -35.161 -6.694 2.398 1.00 4.18 C ATOM 592 C ILE A 40 -36.038 -7.899 2.725 1.00 4.46 C ATOM 593 O ILE A 40 -35.680 -9.036 2.433 1.00 4.72 O ATOM 594 CB ILE A 40 -34.033 -6.519 3.437 1.00 4.46 C ATOM 595 CG1 ILE A 40 -34.582 -6.275 4.846 1.00 4.61 C ATOM 596 CG2 ILE A 40 -33.116 -5.379 3.016 1.00 4.32 C ATOM 597 CD1 ILE A 40 -34.819 -7.548 5.626 1.00 5.04 C ATOM 0 H ILE A 40 -35.836 -4.809 3.014 1.00 3.82 H new ATOM 0 HA ILE A 40 -34.684 -6.879 1.436 1.00 4.18 H new ATOM 0 HB ILE A 40 -33.464 -7.448 3.472 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -33.883 -5.645 5.396 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -35.519 -5.723 4.772 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -32.322 -5.260 3.753 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -32.678 -5.604 2.044 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -33.691 -4.455 2.950 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -35.208 -7.302 6.614 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -35.541 -8.170 5.097 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -33.880 -8.091 5.730 1.00 5.04 H new ATOM 609 N VAL A 41 -37.184 -7.646 3.344 1.00 4.47 N ATOM 610 CA VAL A 41 -38.156 -8.703 3.576 1.00 4.80 C ATOM 611 C VAL A 41 -38.986 -8.964 2.316 1.00 4.72 C ATOM 612 O VAL A 41 -39.384 -10.099 2.056 1.00 5.04 O ATOM 613 CB VAL A 41 -39.076 -8.406 4.788 1.00 4.99 C ATOM 614 CG1 VAL A 41 -40.013 -7.242 4.523 1.00 5.34 C ATOM 615 CG2 VAL A 41 -39.863 -9.646 5.177 1.00 5.37 C ATOM 0 H VAL A 41 -37.460 -6.727 3.691 1.00 4.47 H new ATOM 0 HA VAL A 41 -37.593 -9.604 3.818 1.00 4.80 H new ATOM 0 HB VAL A 41 -38.432 -8.120 5.620 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -40.638 -7.071 5.400 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -39.429 -6.346 4.313 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -40.646 -7.472 3.666 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -40.503 -9.418 6.029 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -40.479 -9.965 4.336 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -39.173 -10.446 5.445 1.00 5.37 H new ATOM 625 N HIS A 42 -39.226 -7.925 1.508 1.00 4.36 N ATOM 626 CA HIS A 42 -40.028 -8.089 0.295 1.00 4.38 C ATOM 627 C HIS A 42 -39.157 -8.199 -0.952 1.00 4.19 C ATOM 628 O HIS A 42 -39.647 -8.081 -2.073 1.00 4.21 O ATOM 629 CB HIS A 42 -41.024 -6.938 0.141 1.00 4.29 C ATOM 630 CG HIS A 42 -42.234 -7.080 1.008 1.00 4.59 C ATOM 631 ND1 HIS A 42 -42.426 -6.356 2.165 1.00 4.88 N ATOM 632 CD2 HIS A 42 -43.320 -7.874 0.878 1.00 5.00 C ATOM 633 CE1 HIS A 42 -43.580 -6.705 2.710 1.00 5.32 C ATOM 634 NE2 HIS A 42 -44.140 -7.622 1.947 1.00 5.35 N ATOM 0 H HIS A 42 -38.882 -6.978 1.669 1.00 4.36 H new ATOM 0 HA HIS A 42 -40.580 -9.023 0.400 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -40.523 -6.000 0.380 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -41.338 -6.876 -0.901 1.00 4.29 H new ATOM 0 HD1 HIS A 42 -41.781 -5.661 2.541 1.00 4.88 H new ATOM 0 HD2 HIS A 42 -43.507 -8.577 0.080 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -43.993 -6.306 3.625 1.00 5.32 H new ATOM 643 N MET A 43 -37.868 -8.433 -0.752 1.00 4.14 N ATOM 644 CA MET A 43 -36.935 -8.616 -1.862 1.00 4.14 C ATOM 645 C MET A 43 -37.275 -9.863 -2.676 1.00 4.46 C ATOM 646 O MET A 43 -36.909 -9.974 -3.846 1.00 4.53 O ATOM 647 CB MET A 43 -35.491 -8.683 -1.338 1.00 4.26 C ATOM 648 CG MET A 43 -35.199 -9.875 -0.432 1.00 4.64 C ATOM 649 SD MET A 43 -34.798 -11.382 -1.343 1.00 4.92 S ATOM 650 CE MET A 43 -33.373 -10.843 -2.284 1.00 5.73 C ATOM 0 H MET A 43 -37.440 -8.501 0.171 1.00 4.14 H new ATOM 0 HA MET A 43 -37.026 -7.756 -2.526 1.00 4.14 H new ATOM 0 HB2 MET A 43 -34.811 -8.715 -2.189 1.00 4.26 H new ATOM 0 HB3 MET A 43 -35.274 -7.766 -0.791 1.00 4.26 H new ATOM 0 HG2 MET A 43 -34.368 -9.626 0.228 1.00 4.64 H new ATOM 0 HG3 MET A 43 -36.066 -10.062 0.202 1.00 4.64 H new ATOM 0 HE1 MET A 43 -32.630 -11.640 -2.308 1.00 5.73 H new ATOM 0 HE2 MET A 43 -33.679 -10.602 -3.302 1.00 5.73 H new ATOM 0 HE3 MET A 43 -32.941 -9.958 -1.816 1.00 5.73 H new ATOM 1066 N GLN A 76 22.593 -0.859 3.271 1.00 5.05 N ATOM 1067 CA GLN A 76 23.752 -1.249 4.060 1.00 4.93 C ATOM 1068 C GLN A 76 24.460 -2.437 3.419 1.00 4.67 C ATOM 1069 O GLN A 76 23.815 -3.333 2.874 1.00 4.88 O ATOM 1070 CB GLN A 76 23.313 -1.627 5.474 1.00 5.47 C ATOM 1071 CG GLN A 76 24.472 -1.909 6.412 1.00 5.74 C ATOM 1072 CD GLN A 76 24.085 -2.843 7.541 1.00 6.61 C ATOM 1073 OE1 GLN A 76 22.943 -2.851 8.000 1.00 7.14 O ATOM 1074 NE2 GLN A 76 25.031 -3.656 7.985 1.00 7.04 N ATOM 0 HA GLN A 76 24.441 -0.405 4.102 1.00 4.93 H new ATOM 0 HB2 GLN A 76 22.710 -0.818 5.887 1.00 5.47 H new ATOM 0 HB3 GLN A 76 22.673 -2.508 5.424 1.00 5.47 H new ATOM 0 HG2 GLN A 76 25.295 -2.347 5.847 1.00 5.74 H new ATOM 0 HG3 GLN A 76 24.836 -0.970 6.829 1.00 5.74 H new ATOM 0 HE21 GLN A 76 25.966 -3.620 7.579 1.00 7.04 H new ATOM 0 HE22 GLN A 76 24.825 -4.318 8.733 1.00 7.04 H new ATOM 1083 N PRO A 77 25.801 -2.441 3.450 1.00 4.45 N ATOM 1084 CA PRO A 77 26.607 -3.594 3.038 1.00 4.52 C ATOM 1085 C PRO A 77 26.337 -4.820 3.904 1.00 5.11 C ATOM 1086 O PRO A 77 25.773 -4.707 4.995 1.00 5.41 O ATOM 1087 CB PRO A 77 28.042 -3.122 3.266 1.00 4.27 C ATOM 1088 CG PRO A 77 27.963 -1.651 3.229 1.00 4.17 C ATOM 1089 CD PRO A 77 26.650 -1.314 3.860 1.00 4.44 C ATOM 0 HA PRO A 77 26.389 -3.894 2.013 1.00 4.52 H new ATOM 0 HB2 PRO A 77 28.427 -3.474 4.223 1.00 4.27 H new ATOM 0 HB3 PRO A 77 28.711 -3.502 2.494 1.00 4.27 H new ATOM 0 HG2 PRO A 77 28.790 -1.198 3.775 1.00 4.17 H new ATOM 0 HG3 PRO A 77 28.015 -1.279 2.206 1.00 4.17 H new ATOM 0 HD2 PRO A 77 26.729 -1.239 4.945 1.00 4.44 H new ATOM 0 HD3 PRO A 77 26.260 -0.361 3.502 1.00 4.44 H new ATOM 1097 N PRO A 78 26.761 -6.003 3.439 1.00 5.63 N ATOM 1098 CA PRO A 78 26.607 -7.249 4.182 1.00 6.52 C ATOM 1099 C PRO A 78 27.451 -7.244 5.449 1.00 6.80 C ATOM 1100 O PRO A 78 28.685 -7.232 5.388 1.00 6.74 O ATOM 1101 CB PRO A 78 27.100 -8.316 3.202 1.00 7.14 C ATOM 1102 CG PRO A 78 28.026 -7.584 2.301 1.00 6.55 C ATOM 1103 CD PRO A 78 27.442 -6.216 2.153 1.00 5.69 C ATOM 0 HA PRO A 78 25.582 -7.416 4.513 1.00 6.52 H new ATOM 0 HB2 PRO A 78 27.609 -9.129 3.721 1.00 7.14 H new ATOM 0 HB3 PRO A 78 26.273 -8.760 2.648 1.00 7.14 H new ATOM 0 HG2 PRO A 78 29.030 -7.538 2.723 1.00 6.55 H new ATOM 0 HG3 PRO A 78 28.109 -8.082 1.335 1.00 6.55 H new ATOM 0 HD2 PRO A 78 28.213 -5.466 1.976 1.00 5.69 H new ATOM 0 HD3 PRO A 78 26.747 -6.163 1.315 1.00 5.69 H new ATOM 1111 N GLU A 79 26.774 -7.232 6.590 1.00 7.24 N ATOM 1112 CA GLU A 79 27.428 -7.225 7.890 1.00 7.85 C ATOM 1113 C GLU A 79 28.377 -8.407 8.023 1.00 8.62 C ATOM 1114 O GLU A 79 29.377 -8.330 8.729 1.00 8.98 O ATOM 1115 CB GLU A 79 26.381 -7.265 8.999 1.00 8.51 C ATOM 1116 CG GLU A 79 25.574 -8.547 9.014 1.00 9.18 C ATOM 1117 CD GLU A 79 24.315 -8.441 9.840 1.00 9.68 C ATOM 1118 OE1 GLU A 79 23.324 -7.868 9.345 1.00 9.76 O ATOM 1119 OE2 GLU A 79 24.304 -8.936 10.985 1.00 10.13 O ATOM 0 H GLU A 79 25.755 -7.227 6.639 1.00 7.24 H new ATOM 0 HA GLU A 79 28.010 -6.307 7.980 1.00 7.85 H new ATOM 0 HB2 GLU A 79 26.877 -7.145 9.962 1.00 8.51 H new ATOM 0 HB3 GLU A 79 25.704 -6.419 8.881 1.00 8.51 H new ATOM 0 HG2 GLU A 79 25.310 -8.815 7.991 1.00 9.18 H new ATOM 0 HG3 GLU A 79 26.192 -9.355 9.406 1.00 9.18 H new ATOM 1126 N GLU A 80 28.052 -9.496 7.340 1.00 9.00 N ATOM 1127 CA GLU A 80 28.932 -10.646 7.279 1.00 9.80 C ATOM 1128 C GLU A 80 30.294 -10.240 6.735 1.00 9.30 C ATOM 1129 O GLU A 80 31.329 -10.509 7.341 1.00 9.74 O ATOM 1130 CB GLU A 80 28.304 -11.728 6.395 1.00 10.33 C ATOM 1131 CG GLU A 80 29.321 -12.619 5.701 1.00 10.80 C ATOM 1132 CD GLU A 80 28.681 -13.665 4.817 1.00 11.40 C ATOM 1133 OE1 GLU A 80 28.101 -14.629 5.353 1.00 11.78 O ATOM 1134 OE2 GLU A 80 28.763 -13.534 3.579 1.00 11.61 O ATOM 0 H GLU A 80 27.181 -9.603 6.820 1.00 9.00 H new ATOM 0 HA GLU A 80 29.070 -11.045 8.284 1.00 9.80 H new ATOM 0 HB2 GLU A 80 27.648 -12.348 7.006 1.00 10.33 H new ATOM 0 HB3 GLU A 80 27.679 -11.250 5.641 1.00 10.33 H new ATOM 0 HG2 GLU A 80 29.987 -12.001 5.100 1.00 10.80 H new ATOM 0 HG3 GLU A 80 29.936 -13.113 6.453 1.00 10.80 H new ATOM 1141 N ILE A 81 30.280 -9.556 5.604 1.00 8.42 N ATOM 1142 CA ILE A 81 31.503 -9.189 4.928 1.00 7.96 C ATOM 1143 C ILE A 81 32.204 -8.037 5.619 1.00 7.34 C ATOM 1144 O ILE A 81 33.423 -8.059 5.757 1.00 7.45 O ATOM 1145 CB ILE A 81 31.250 -8.839 3.457 1.00 7.44 C ATOM 1146 CG1 ILE A 81 30.827 -10.087 2.688 1.00 8.39 C ATOM 1147 CG2 ILE A 81 32.495 -8.223 2.848 1.00 6.94 C ATOM 1148 CD1 ILE A 81 30.496 -9.813 1.241 1.00 8.28 C ATOM 0 H ILE A 81 29.429 -9.244 5.136 1.00 8.42 H new ATOM 0 HA ILE A 81 32.155 -10.061 4.970 1.00 7.96 H new ATOM 0 HB ILE A 81 30.442 -8.110 3.396 1.00 7.44 H new ATOM 0 HG12 ILE A 81 31.628 -10.824 2.737 1.00 8.39 H new ATOM 0 HG13 ILE A 81 29.957 -10.528 3.175 1.00 8.39 H new ATOM 0 HG21 ILE A 81 32.306 -7.978 1.803 1.00 6.94 H new ATOM 0 HG22 ILE A 81 32.755 -7.315 3.392 1.00 6.94 H new ATOM 0 HG23 ILE A 81 33.320 -8.933 2.910 1.00 6.94 H new ATOM 0 HD11 ILE A 81 30.203 -10.742 0.752 1.00 8.28 H new ATOM 0 HD12 ILE A 81 29.674 -9.099 1.185 1.00 8.28 H new ATOM 0 HD13 ILE A 81 31.371 -9.400 0.740 1.00 8.28 H new ATOM 1160 N VAL A 82 31.446 -7.037 6.064 1.00 6.83 N ATOM 1161 CA VAL A 82 32.042 -5.919 6.777 1.00 6.55 C ATOM 1162 C VAL A 82 32.815 -6.462 7.974 1.00 7.54 C ATOM 1163 O VAL A 82 33.908 -5.994 8.288 1.00 7.57 O ATOM 1164 CB VAL A 82 30.999 -4.871 7.249 1.00 6.32 C ATOM 1165 CG1 VAL A 82 30.074 -4.473 6.115 1.00 5.50 C ATOM 1166 CG2 VAL A 82 30.200 -5.369 8.437 1.00 7.25 C ATOM 0 H VAL A 82 30.435 -6.981 5.944 1.00 6.83 H new ATOM 0 HA VAL A 82 32.706 -5.400 6.086 1.00 6.55 H new ATOM 0 HB VAL A 82 31.553 -3.988 7.568 1.00 6.32 H new ATOM 0 HG11 VAL A 82 29.354 -3.738 6.474 1.00 5.50 H new ATOM 0 HG12 VAL A 82 30.659 -4.041 5.303 1.00 5.50 H new ATOM 0 HG13 VAL A 82 29.544 -5.353 5.752 1.00 5.50 H new ATOM 0 HG21 VAL A 82 29.481 -4.607 8.737 1.00 7.25 H new ATOM 0 HG22 VAL A 82 29.669 -6.280 8.162 1.00 7.25 H new ATOM 0 HG23 VAL A 82 30.875 -5.578 9.267 1.00 7.25 H new ATOM 1176 N ALA A 83 32.237 -7.491 8.593 1.00 8.43 N ATOM 1177 CA ALA A 83 32.842 -8.205 9.702 1.00 9.53 C ATOM 1178 C ALA A 83 34.145 -8.864 9.271 1.00 9.70 C ATOM 1179 O ALA A 83 35.155 -8.774 9.967 1.00 10.09 O ATOM 1180 CB ALA A 83 31.863 -9.249 10.196 1.00 10.39 C ATOM 0 H ALA A 83 31.321 -7.853 8.329 1.00 8.43 H new ATOM 0 HA ALA A 83 33.073 -7.504 10.504 1.00 9.53 H new ATOM 0 HB1 ALA A 83 32.303 -9.795 11.030 1.00 10.39 H new ATOM 0 HB2 ALA A 83 30.946 -8.761 10.525 1.00 10.39 H new ATOM 0 HB3 ALA A 83 31.634 -9.944 9.388 1.00 10.39 H new ATOM 1186 N ILE A 84 34.109 -9.519 8.118 1.00 9.53 N ATOM 1187 CA ILE A 84 35.282 -10.175 7.558 1.00 9.80 C ATOM 1188 C ILE A 84 36.379 -9.159 7.252 1.00 9.04 C ATOM 1189 O ILE A 84 37.553 -9.391 7.529 1.00 9.43 O ATOM 1190 CB ILE A 84 34.911 -10.940 6.267 1.00 9.84 C ATOM 1191 CG1 ILE A 84 33.957 -12.084 6.605 1.00 10.78 C ATOM 1192 CG2 ILE A 84 36.160 -11.466 5.568 1.00 10.13 C ATOM 1193 CD1 ILE A 84 32.999 -12.433 5.494 1.00 10.71 C ATOM 0 H ILE A 84 33.269 -9.610 7.547 1.00 9.53 H new ATOM 0 HA ILE A 84 35.654 -10.882 8.299 1.00 9.80 H new ATOM 0 HB ILE A 84 34.413 -10.254 5.582 1.00 9.84 H new ATOM 0 HG12 ILE A 84 34.542 -12.968 6.858 1.00 10.78 H new ATOM 0 HG13 ILE A 84 33.385 -11.816 7.493 1.00 10.78 H new ATOM 0 HG21 ILE A 84 35.872 -12.000 4.663 1.00 10.13 H new ATOM 0 HG22 ILE A 84 36.809 -10.631 5.306 1.00 10.13 H new ATOM 0 HG23 ILE A 84 36.692 -12.143 6.236 1.00 10.13 H new ATOM 0 HD11 ILE A 84 32.356 -13.254 5.812 1.00 10.71 H new ATOM 0 HD12 ILE A 84 32.386 -11.564 5.255 1.00 10.71 H new ATOM 0 HD13 ILE A 84 33.561 -12.734 4.610 1.00 10.71 H new ATOM 1205 N ILE A 85 35.979 -8.024 6.705 1.00 8.01 N ATOM 1206 CA ILE A 85 36.919 -6.987 6.322 1.00 7.27 C ATOM 1207 C ILE A 85 37.616 -6.382 7.537 1.00 7.66 C ATOM 1208 O ILE A 85 38.838 -6.227 7.546 1.00 7.73 O ATOM 1209 CB ILE A 85 36.220 -5.886 5.522 1.00 6.22 C ATOM 1210 CG1 ILE A 85 35.582 -6.492 4.273 1.00 6.07 C ATOM 1211 CG2 ILE A 85 37.207 -4.791 5.152 1.00 5.61 C ATOM 1212 CD1 ILE A 85 34.669 -5.551 3.520 1.00 5.25 C ATOM 0 H ILE A 85 35.003 -7.797 6.516 1.00 8.01 H new ATOM 0 HA ILE A 85 37.676 -7.456 5.694 1.00 7.27 H new ATOM 0 HB ILE A 85 35.438 -5.436 6.133 1.00 6.22 H new ATOM 0 HG12 ILE A 85 36.373 -6.827 3.602 1.00 6.07 H new ATOM 0 HG13 ILE A 85 35.014 -7.376 4.562 1.00 6.07 H new ATOM 0 HG21 ILE A 85 36.694 -4.016 4.583 1.00 5.61 H new ATOM 0 HG22 ILE A 85 37.627 -4.358 6.060 1.00 5.61 H new ATOM 0 HG23 ILE A 85 38.009 -5.214 4.547 1.00 5.61 H new ATOM 0 HD11 ILE A 85 34.259 -6.061 2.648 1.00 5.25 H new ATOM 0 HD12 ILE A 85 33.854 -5.235 4.172 1.00 5.25 H new ATOM 0 HD13 ILE A 85 35.234 -4.677 3.196 1.00 5.25 H new ATOM 1224 N THR A 86 36.852 -6.048 8.568 1.00 8.07 N ATOM 1225 CA THR A 86 37.458 -5.534 9.788 1.00 8.77 C ATOM 1226 C THR A 86 38.231 -6.642 10.512 1.00 9.82 C ATOM 1227 O THR A 86 39.134 -6.365 11.302 1.00 10.38 O ATOM 1228 CB THR A 86 36.440 -4.840 10.736 1.00 9.14 C ATOM 1229 OG1 THR A 86 37.010 -4.646 12.033 1.00 10.16 O ATOM 1230 CG2 THR A 86 35.140 -5.604 10.858 1.00 9.36 C ATOM 0 H THR A 86 35.835 -6.121 8.586 1.00 8.07 H new ATOM 0 HA THR A 86 38.159 -4.756 9.486 1.00 8.77 H new ATOM 0 HB THR A 86 36.210 -3.873 10.288 1.00 9.14 H new ATOM 0 HG1 THR A 86 37.822 -4.103 11.956 1.00 10.16 H new ATOM 0 HG21 THR A 86 34.468 -5.073 11.532 1.00 9.36 H new ATOM 0 HG22 THR A 86 34.675 -5.691 9.876 1.00 9.36 H new ATOM 0 HG23 THR A 86 35.339 -6.600 11.254 1.00 9.36 H new ATOM 1238 N SER A 87 37.892 -7.892 10.216 1.00 10.16 N ATOM 1239 CA SER A 87 38.642 -9.035 10.727 1.00 11.17 C ATOM 1240 C SER A 87 39.986 -9.138 10.001 1.00 10.93 C ATOM 1241 O SER A 87 40.986 -9.555 10.581 1.00 11.68 O ATOM 1242 CB SER A 87 37.830 -10.324 10.544 1.00 11.77 C ATOM 1243 OG SER A 87 38.418 -11.420 11.225 1.00 12.35 O ATOM 0 H SER A 87 37.100 -8.141 9.623 1.00 10.16 H new ATOM 0 HA SER A 87 38.828 -8.895 11.792 1.00 11.17 H new ATOM 0 HB2 SER A 87 36.816 -10.170 10.912 1.00 11.77 H new ATOM 0 HB3 SER A 87 37.752 -10.556 9.482 1.00 11.77 H new ATOM 0 HG SER A 87 37.872 -12.222 11.087 1.00 12.35 H new ATOM 1249 N MET A 88 39.998 -8.732 8.729 1.00 9.91 N ATOM 1250 CA MET A 88 41.225 -8.698 7.933 1.00 9.62 C ATOM 1251 C MET A 88 42.210 -7.694 8.515 1.00 9.52 C ATOM 1252 O MET A 88 43.422 -7.818 8.345 1.00 9.66 O ATOM 1253 CB MET A 88 40.919 -8.319 6.479 1.00 8.63 C ATOM 1254 CG MET A 88 40.173 -9.388 5.695 1.00 8.93 C ATOM 1255 SD MET A 88 41.090 -10.937 5.593 1.00 10.15 S ATOM 1256 CE MET A 88 39.940 -11.953 4.669 1.00 10.33 C ATOM 0 H MET A 88 39.166 -8.421 8.227 1.00 9.91 H new ATOM 0 HA MET A 88 41.666 -9.694 7.958 1.00 9.62 H new ATOM 0 HB2 MET A 88 40.329 -7.402 6.472 1.00 8.63 H new ATOM 0 HB3 MET A 88 41.857 -8.099 5.969 1.00 8.63 H new ATOM 0 HG2 MET A 88 39.207 -9.572 6.166 1.00 8.93 H new ATOM 0 HG3 MET A 88 39.972 -9.022 4.688 1.00 8.93 H new ATOM 0 HE1 MET A 88 40.366 -12.946 4.525 1.00 10.33 H new ATOM 0 HE2 MET A 88 39.004 -12.037 5.221 1.00 10.33 H new ATOM 0 HE3 MET A 88 39.749 -11.496 3.698 1.00 10.33 H new ATOM 1266 N GLY A 89 41.674 -6.700 9.205 1.00 9.41 N ATOM 1267 CA GLY A 89 42.498 -5.672 9.801 1.00 9.53 C ATOM 1268 C GLY A 89 42.026 -4.283 9.433 1.00 8.82 C ATOM 1269 O GLY A 89 42.681 -3.290 9.752 1.00 9.04 O ATOM 0 H GLY A 89 40.673 -6.587 9.364 1.00 9.41 H new ATOM 0 HA2 GLY A 89 42.488 -5.783 10.885 1.00 9.53 H new ATOM 0 HA3 GLY A 89 43.531 -5.802 9.477 1.00 9.53 H new ATOM 1273 N PHE A 90 40.889 -4.215 8.751 1.00 8.10 N ATOM 1274 CA PHE A 90 40.316 -2.944 8.341 1.00 7.50 C ATOM 1275 C PHE A 90 39.212 -2.525 9.307 1.00 8.05 C ATOM 1276 O PHE A 90 39.011 -3.157 10.342 1.00 8.89 O ATOM 1277 CB PHE A 90 39.784 -3.061 6.906 1.00 6.45 C ATOM 1278 CG PHE A 90 40.856 -3.432 5.920 1.00 6.07 C ATOM 1279 CD1 PHE A 90 42.023 -2.688 5.846 1.00 6.07 C ATOM 1280 CD2 PHE A 90 40.708 -4.524 5.081 1.00 5.98 C ATOM 1281 CE1 PHE A 90 43.018 -3.023 4.949 1.00 5.89 C ATOM 1282 CE2 PHE A 90 41.700 -4.864 4.182 1.00 5.84 C ATOM 1283 CZ PHE A 90 42.856 -4.111 4.115 1.00 5.76 C ATOM 0 H PHE A 90 40.345 -5.031 8.470 1.00 8.10 H new ATOM 0 HA PHE A 90 41.086 -2.173 8.363 1.00 7.50 H new ATOM 0 HB2 PHE A 90 38.993 -3.810 6.876 1.00 6.45 H new ATOM 0 HB3 PHE A 90 39.336 -2.112 6.610 1.00 6.45 H new ATOM 0 HD1 PHE A 90 42.156 -1.837 6.497 1.00 6.07 H new ATOM 0 HD2 PHE A 90 39.806 -5.117 5.130 1.00 5.98 H new ATOM 0 HE1 PHE A 90 43.922 -2.434 4.900 1.00 5.89 H new ATOM 0 HE2 PHE A 90 41.572 -5.717 3.532 1.00 5.84 H new ATOM 0 HZ PHE A 90 43.632 -4.373 3.411 1.00 5.76 H new ATOM 1293 N GLN A 91 38.524 -1.447 8.982 1.00 7.71 N ATOM 1294 CA GLN A 91 37.399 -0.988 9.775 1.00 8.28 C ATOM 1295 C GLN A 91 36.108 -1.596 9.265 1.00 7.66 C ATOM 1296 O GLN A 91 35.983 -1.878 8.076 1.00 6.72 O ATOM 1297 CB GLN A 91 37.304 0.532 9.708 1.00 8.59 C ATOM 1298 CG GLN A 91 38.223 1.240 10.675 1.00 9.30 C ATOM 1299 CD GLN A 91 38.310 2.727 10.420 1.00 9.79 C ATOM 1300 OE1 GLN A 91 37.529 3.507 10.963 1.00 10.05 O ATOM 1301 NE2 GLN A 91 39.264 3.128 9.596 1.00 10.16 N ATOM 0 H GLN A 91 38.727 -0.868 8.167 1.00 7.71 H new ATOM 0 HA GLN A 91 37.554 -1.299 10.808 1.00 8.28 H new ATOM 0 HB2 GLN A 91 37.537 0.858 8.694 1.00 8.59 H new ATOM 0 HB3 GLN A 91 36.276 0.832 9.911 1.00 8.59 H new ATOM 0 HG2 GLN A 91 37.872 1.071 11.693 1.00 9.30 H new ATOM 0 HG3 GLN A 91 39.220 0.805 10.606 1.00 9.30 H new ATOM 0 HE21 GLN A 91 39.889 2.445 9.168 1.00 10.16 H new ATOM 0 HE22 GLN A 91 39.375 4.120 9.388 1.00 10.16 H new ATOM 1310 N ARG A 92 35.159 -1.800 10.162 1.00 8.25 N ATOM 1311 CA ARG A 92 33.828 -2.243 9.777 1.00 7.79 C ATOM 1312 C ARG A 92 33.186 -1.196 8.882 1.00 7.08 C ATOM 1313 O ARG A 92 32.693 -1.503 7.803 1.00 6.21 O ATOM 1314 CB ARG A 92 32.955 -2.441 11.008 1.00 8.69 C ATOM 1315 CG ARG A 92 31.534 -2.853 10.673 1.00 8.30 C ATOM 1316 CD ARG A 92 30.541 -2.242 11.642 1.00 8.98 C ATOM 1317 NE ARG A 92 30.701 -2.762 13.000 1.00 10.14 N ATOM 1318 CZ ARG A 92 30.837 -2.001 14.087 1.00 10.93 C ATOM 1319 NH1 ARG A 92 30.868 -0.679 13.987 1.00 10.74 N ATOM 1320 NH2 ARG A 92 30.950 -2.563 15.282 1.00 11.98 N ATOM 0 H ARG A 92 35.285 -1.666 11.165 1.00 8.25 H new ATOM 0 HA ARG A 92 33.917 -3.190 9.245 1.00 7.79 H new ATOM 0 HB2 ARG A 92 33.406 -3.201 11.647 1.00 8.69 H new ATOM 0 HB3 ARG A 92 32.932 -1.515 11.582 1.00 8.69 H new ATOM 0 HG2 ARG A 92 31.293 -2.541 9.657 1.00 8.30 H new ATOM 0 HG3 ARG A 92 31.452 -3.940 10.701 1.00 8.30 H new ATOM 0 HD2 ARG A 92 30.666 -1.159 11.653 1.00 8.98 H new ATOM 0 HD3 ARG A 92 29.527 -2.443 11.295 1.00 8.98 H new ATOM 0 HE ARG A 92 30.709 -3.774 13.124 1.00 10.14 H new ATOM 0 HH11 ARG A 92 30.787 -0.235 13.072 1.00 10.74 H new ATOM 0 HH12 ARG A 92 30.972 -0.106 14.825 1.00 10.74 H new ATOM 0 HH21 ARG A 92 30.933 -3.579 15.371 1.00 11.98 H new ATOM 0 HH22 ARG A 92 31.054 -1.980 16.112 1.00 11.98 H new ATOM 1334 N ASN A 93 33.204 0.043 9.351 1.00 7.66 N ATOM 1335 CA ASN A 93 32.650 1.163 8.599 1.00 7.40 C ATOM 1336 C ASN A 93 33.401 1.364 7.297 1.00 6.66 C ATOM 1337 O ASN A 93 32.798 1.643 6.260 1.00 6.20 O ATOM 1338 CB ASN A 93 32.700 2.441 9.428 1.00 8.50 C ATOM 1339 CG ASN A 93 32.125 3.637 8.684 1.00 8.62 C ATOM 1340 OD1 ASN A 93 32.852 4.369 8.012 1.00 8.59 O ATOM 1341 ND2 ASN A 93 30.819 3.840 8.784 1.00 9.02 N ATOM 0 H ASN A 93 33.599 0.301 10.255 1.00 7.66 H new ATOM 0 HA ASN A 93 31.610 0.930 8.369 1.00 7.40 H new ATOM 0 HB2 ASN A 93 32.146 2.292 10.355 1.00 8.50 H new ATOM 0 HB3 ASN A 93 33.733 2.651 9.705 1.00 8.50 H new ATOM 0 HD21 ASN A 93 30.386 4.623 8.295 1.00 9.02 H new ATOM 0 HD22 ASN A 93 30.247 3.213 9.350 1.00 9.02 H new ATOM 1348 N GLN A 94 34.721 1.207 7.343 1.00 6.68 N ATOM 1349 CA GLN A 94 35.520 1.287 6.131 1.00 6.08 C ATOM 1350 C GLN A 94 35.131 0.161 5.184 1.00 5.11 C ATOM 1351 O GLN A 94 35.072 0.341 3.967 1.00 4.70 O ATOM 1352 CB GLN A 94 37.007 1.238 6.466 1.00 6.39 C ATOM 1353 CG GLN A 94 37.887 0.824 5.299 1.00 5.72 C ATOM 1354 CD GLN A 94 39.151 1.657 5.187 1.00 6.13 C ATOM 1355 OE1 GLN A 94 39.182 2.666 4.486 1.00 6.28 O ATOM 1356 NE2 GLN A 94 40.201 1.246 5.871 1.00 6.56 N ATOM 0 H GLN A 94 35.251 1.026 8.195 1.00 6.68 H new ATOM 0 HA GLN A 94 35.325 2.238 5.635 1.00 6.08 H new ATOM 0 HB2 GLN A 94 37.323 2.221 6.816 1.00 6.39 H new ATOM 0 HB3 GLN A 94 37.161 0.541 7.290 1.00 6.39 H new ATOM 0 HG2 GLN A 94 38.159 -0.226 5.410 1.00 5.72 H new ATOM 0 HG3 GLN A 94 37.318 0.910 4.373 1.00 5.72 H new ATOM 0 HE21 GLN A 94 40.139 0.404 6.443 1.00 6.56 H new ATOM 0 HE22 GLN A 94 41.075 1.771 5.828 1.00 6.56 H new ATOM 1365 N ALA A 95 34.847 -0.997 5.763 1.00 5.10 N ATOM 1366 CA ALA A 95 34.360 -2.136 5.015 1.00 4.58 C ATOM 1367 C ALA A 95 33.003 -1.826 4.397 1.00 4.24 C ATOM 1368 O ALA A 95 32.746 -2.173 3.245 1.00 3.93 O ATOM 1369 CB ALA A 95 34.277 -3.340 5.936 1.00 5.22 C ATOM 0 H ALA A 95 34.949 -1.168 6.763 1.00 5.10 H new ATOM 0 HA ALA A 95 35.050 -2.360 4.202 1.00 4.58 H new ATOM 0 HB1 ALA A 95 33.910 -4.201 5.377 1.00 5.22 H new ATOM 0 HB2 ALA A 95 35.267 -3.561 6.336 1.00 5.22 H new ATOM 0 HB3 ALA A 95 33.594 -3.123 6.757 1.00 5.22 H new ATOM 1375 N ILE A 96 32.146 -1.158 5.168 1.00 4.61 N ATOM 1376 CA ILE A 96 30.851 -0.725 4.674 1.00 4.48 C ATOM 1377 C ILE A 96 31.025 0.190 3.466 1.00 4.45 C ATOM 1378 O ILE A 96 30.439 -0.042 2.411 1.00 4.33 O ATOM 1379 CB ILE A 96 30.023 0.003 5.764 1.00 5.19 C ATOM 1380 CG1 ILE A 96 29.295 -1.005 6.647 1.00 5.44 C ATOM 1381 CG2 ILE A 96 29.027 0.967 5.144 1.00 5.34 C ATOM 1382 CD1 ILE A 96 29.664 -0.897 8.105 1.00 6.39 C ATOM 0 H ILE A 96 32.331 -0.907 6.139 1.00 4.61 H new ATOM 0 HA ILE A 96 30.303 -1.621 4.382 1.00 4.48 H new ATOM 0 HB ILE A 96 30.716 0.576 6.380 1.00 5.19 H new ATOM 0 HG12 ILE A 96 28.220 -0.861 6.540 1.00 5.44 H new ATOM 0 HG13 ILE A 96 29.518 -2.013 6.297 1.00 5.44 H new ATOM 0 HG21 ILE A 96 28.461 1.463 5.933 1.00 5.34 H new ATOM 0 HG22 ILE A 96 29.561 1.714 4.556 1.00 5.34 H new ATOM 0 HG23 ILE A 96 28.343 0.417 4.497 1.00 5.34 H new ATOM 0 HD11 ILE A 96 29.111 -1.642 8.677 1.00 6.39 H new ATOM 0 HD12 ILE A 96 30.734 -1.070 8.223 1.00 6.39 H new ATOM 0 HD13 ILE A 96 29.415 0.099 8.471 1.00 6.39 H new ATOM 1394 N GLN A 97 31.849 1.213 3.631 1.00 4.95 N ATOM 1395 CA GLN A 97 32.136 2.155 2.554 1.00 5.42 C ATOM 1396 C GLN A 97 32.611 1.432 1.305 1.00 5.09 C ATOM 1397 O GLN A 97 32.144 1.698 0.189 1.00 5.57 O ATOM 1398 CB GLN A 97 33.206 3.140 2.992 1.00 6.13 C ATOM 1399 CG GLN A 97 33.592 4.117 1.900 1.00 6.88 C ATOM 1400 CD GLN A 97 34.510 5.216 2.394 1.00 7.78 C ATOM 1401 OE1 GLN A 97 34.468 5.603 3.561 1.00 8.13 O ATOM 1402 NE2 GLN A 97 35.338 5.737 1.508 1.00 8.36 N ATOM 0 H GLN A 97 32.335 1.415 4.505 1.00 4.95 H new ATOM 0 HA GLN A 97 31.213 2.687 2.324 1.00 5.42 H new ATOM 0 HB2 GLN A 97 32.848 3.695 3.859 1.00 6.13 H new ATOM 0 HB3 GLN A 97 34.092 2.589 3.309 1.00 6.13 H new ATOM 0 HG2 GLN A 97 34.083 3.576 1.091 1.00 6.88 H new ATOM 0 HG3 GLN A 97 32.690 4.564 1.483 1.00 6.88 H new ATOM 0 HE21 GLN A 97 35.344 5.389 0.549 1.00 8.36 H new ATOM 0 HE22 GLN A 97 35.972 6.487 1.782 1.00 8.36 H new ATOM 1411 N ALA A 98 33.541 0.518 1.509 1.00 4.57 N ATOM 1412 CA ALA A 98 34.113 -0.253 0.427 1.00 4.55 C ATOM 1413 C ALA A 98 33.040 -1.058 -0.293 1.00 4.70 C ATOM 1414 O ALA A 98 32.904 -0.968 -1.509 1.00 5.41 O ATOM 1415 CB ALA A 98 35.196 -1.167 0.968 1.00 4.17 C ATOM 0 H ALA A 98 33.919 0.291 2.429 1.00 4.57 H new ATOM 0 HA ALA A 98 34.555 0.432 -0.296 1.00 4.55 H new ATOM 0 HB1 ALA A 98 35.625 -1.746 0.150 1.00 4.17 H new ATOM 0 HB2 ALA A 98 35.977 -0.568 1.437 1.00 4.17 H new ATOM 0 HB3 ALA A 98 34.766 -1.844 1.706 1.00 4.17 H new ATOM 1421 N LEU A 99 32.260 -1.820 0.469 1.00 4.31 N ATOM 1422 CA LEU A 99 31.193 -2.632 -0.104 1.00 4.67 C ATOM 1423 C LEU A 99 30.130 -1.767 -0.777 1.00 5.10 C ATOM 1424 O LEU A 99 29.517 -2.191 -1.749 1.00 5.77 O ATOM 1425 CB LEU A 99 30.533 -3.487 0.963 1.00 4.44 C ATOM 1426 CG LEU A 99 31.433 -4.520 1.627 1.00 4.61 C ATOM 1427 CD1 LEU A 99 30.757 -5.098 2.846 1.00 4.82 C ATOM 1428 CD2 LEU A 99 31.779 -5.625 0.656 1.00 5.40 C ATOM 0 H LEU A 99 32.347 -1.891 1.483 1.00 4.31 H new ATOM 0 HA LEU A 99 31.651 -3.275 -0.856 1.00 4.67 H new ATOM 0 HB2 LEU A 99 30.134 -2.829 1.735 1.00 4.44 H new ATOM 0 HB3 LEU A 99 29.685 -4.005 0.515 1.00 4.44 H new ATOM 0 HG LEU A 99 32.354 -4.025 1.935 1.00 4.61 H new ATOM 0 HD11 LEU A 99 31.412 -5.835 3.310 1.00 4.82 H new ATOM 0 HD12 LEU A 99 30.546 -4.300 3.558 1.00 4.82 H new ATOM 0 HD13 LEU A 99 29.823 -5.577 2.551 1.00 4.82 H new ATOM 0 HD21 LEU A 99 32.423 -6.354 1.148 1.00 5.40 H new ATOM 0 HD22 LEU A 99 30.865 -6.116 0.322 1.00 5.40 H new ATOM 0 HD23 LEU A 99 32.300 -5.204 -0.204 1.00 5.40 H new ATOM 1440 N ARG A 100 29.889 -0.572 -0.238 1.00 5.01 N ATOM 1441 CA ARG A 100 28.960 0.378 -0.858 1.00 5.73 C ATOM 1442 C ARG A 100 29.368 0.624 -2.303 1.00 6.63 C ATOM 1443 O ARG A 100 28.548 0.593 -3.224 1.00 7.33 O ATOM 1444 CB ARG A 100 28.963 1.711 -0.106 1.00 5.96 C ATOM 1445 CG ARG A 100 28.177 1.716 1.196 1.00 5.58 C ATOM 1446 CD ARG A 100 28.501 2.961 2.004 1.00 6.19 C ATOM 1447 NE ARG A 100 27.604 3.164 3.137 1.00 6.32 N ATOM 1448 CZ ARG A 100 27.885 3.968 4.164 1.00 7.08 C ATOM 1449 NH1 ARG A 100 29.002 4.684 4.172 1.00 7.71 N ATOM 1450 NH2 ARG A 100 27.040 4.065 5.179 1.00 7.36 N ATOM 0 H ARG A 100 30.321 -0.238 0.623 1.00 5.01 H new ATOM 0 HA ARG A 100 27.958 -0.049 -0.819 1.00 5.73 H new ATOM 0 HB2 ARG A 100 29.995 1.987 0.109 1.00 5.96 H new ATOM 0 HB3 ARG A 100 28.557 2.482 -0.761 1.00 5.96 H new ATOM 0 HG2 ARG A 100 27.109 1.680 0.984 1.00 5.58 H new ATOM 0 HG3 ARG A 100 28.417 0.825 1.777 1.00 5.58 H new ATOM 0 HD2 ARG A 100 29.526 2.892 2.369 1.00 6.19 H new ATOM 0 HD3 ARG A 100 28.453 3.832 1.351 1.00 6.19 H new ATOM 0 HE ARG A 100 26.715 2.665 3.144 1.00 6.32 H new ATOM 0 HH11 ARG A 100 29.653 4.622 3.389 1.00 7.71 H new ATOM 0 HH12 ARG A 100 29.210 5.296 4.961 1.00 7.71 H new ATOM 0 HH21 ARG A 100 26.175 3.525 5.176 1.00 7.36 H new ATOM 0 HH22 ARG A 100 27.255 4.680 5.964 1.00 7.36 H new ATOM 1464 N ALA A 101 30.656 0.846 -2.478 1.00 6.70 N ATOM 1465 CA ALA A 101 31.231 1.117 -3.781 1.00 7.62 C ATOM 1466 C ALA A 101 31.295 -0.147 -4.635 1.00 7.91 C ATOM 1467 O ALA A 101 30.950 -0.130 -5.814 1.00 8.88 O ATOM 1468 CB ALA A 101 32.618 1.699 -3.596 1.00 7.61 C ATOM 0 H ALA A 101 31.336 0.843 -1.717 1.00 6.70 H new ATOM 0 HA ALA A 101 30.596 1.832 -4.304 1.00 7.62 H new ATOM 0 HB1 ALA A 101 33.059 1.906 -4.571 1.00 7.61 H new ATOM 0 HB2 ALA A 101 32.551 2.624 -3.024 1.00 7.61 H new ATOM 0 HB3 ALA A 101 33.243 0.985 -3.059 1.00 7.61 H new ATOM 1474 N THR A 102 31.736 -1.242 -4.033 1.00 7.24 N ATOM 1475 CA THR A 102 31.954 -2.491 -4.749 1.00 7.76 C ATOM 1476 C THR A 102 30.673 -3.289 -4.953 1.00 8.12 C ATOM 1477 O THR A 102 30.690 -4.365 -5.555 1.00 8.79 O ATOM 1478 CB THR A 102 32.976 -3.328 -3.997 1.00 7.19 C ATOM 1479 OG1 THR A 102 32.465 -3.716 -2.715 1.00 6.44 O ATOM 1480 CG2 THR A 102 34.216 -2.484 -3.822 1.00 6.79 C ATOM 0 H THR A 102 31.952 -1.290 -3.037 1.00 7.24 H new ATOM 0 HA THR A 102 32.325 -2.238 -5.742 1.00 7.76 H new ATOM 0 HB THR A 102 33.201 -4.237 -4.555 1.00 7.19 H new ATOM 0 HG1 THR A 102 32.796 -4.610 -2.488 1.00 6.44 H new ATOM 0 HG21 THR A 102 34.972 -3.056 -3.284 1.00 6.79 H new ATOM 0 HG22 THR A 102 34.604 -2.199 -4.800 1.00 6.79 H new ATOM 0 HG23 THR A 102 33.968 -1.587 -3.255 1.00 6.79 H new ATOM 1488 N ASN A 103 29.567 -2.739 -4.459 1.00 7.78 N ATOM 1489 CA ASN A 103 28.265 -3.389 -4.501 1.00 8.03 C ATOM 1490 C ASN A 103 28.302 -4.696 -3.717 1.00 7.69 C ATOM 1491 O ASN A 103 28.136 -5.775 -4.281 1.00 8.43 O ATOM 1492 CB ASN A 103 27.805 -3.629 -5.944 1.00 9.26 C ATOM 1493 CG ASN A 103 27.758 -2.352 -6.766 1.00 9.66 C ATOM 1494 OD1 ASN A 103 26.792 -1.590 -6.697 1.00 10.09 O ATOM 1495 ND2 ASN A 103 28.784 -2.124 -7.575 1.00 9.74 N ATOM 0 H ASN A 103 29.552 -1.821 -4.015 1.00 7.78 H new ATOM 0 HA ASN A 103 27.539 -2.723 -4.034 1.00 8.03 H new ATOM 0 HB2 ASN A 103 28.479 -4.339 -6.422 1.00 9.26 H new ATOM 0 HB3 ASN A 103 26.816 -4.086 -5.934 1.00 9.26 H new ATOM 0 HD21 ASN A 103 28.791 -1.294 -8.168 1.00 9.74 H new ATOM 0 HD22 ASN A 103 29.566 -2.778 -7.604 1.00 9.74 H new ATOM 1502 N ASN A 104 28.554 -4.564 -2.409 1.00 6.74 N ATOM 1503 CA ASN A 104 28.638 -5.683 -1.455 1.00 6.57 C ATOM 1504 C ASN A 104 29.616 -6.767 -1.904 1.00 7.31 C ATOM 1505 O ASN A 104 29.534 -7.912 -1.458 1.00 7.80 O ATOM 1506 CB ASN A 104 27.253 -6.294 -1.131 1.00 6.81 C ATOM 1507 CG ASN A 104 26.615 -7.099 -2.257 1.00 7.28 C ATOM 1508 OD1 ASN A 104 26.947 -8.267 -2.471 1.00 7.71 O ATOM 1509 ND2 ASN A 104 25.653 -6.499 -2.939 1.00 7.45 N ATOM 0 H ASN A 104 28.709 -3.656 -1.972 1.00 6.74 H new ATOM 0 HA ASN A 104 29.029 -5.250 -0.535 1.00 6.57 H new ATOM 0 HB2 ASN A 104 27.354 -6.939 -0.258 1.00 6.81 H new ATOM 0 HB3 ASN A 104 26.574 -5.487 -0.854 1.00 6.81 H new ATOM 0 HD21 ASN A 104 25.156 -7.005 -3.672 1.00 7.45 H new ATOM 0 HD22 ASN A 104 25.408 -5.531 -2.731 1.00 7.45 H new ATOM 1516 N ASN A 105 30.568 -6.400 -2.746 1.00 7.54 N ATOM 1517 CA ASN A 105 31.585 -7.340 -3.188 1.00 8.24 C ATOM 1518 C ASN A 105 32.742 -7.333 -2.201 1.00 7.62 C ATOM 1519 O ASN A 105 33.506 -6.374 -2.128 1.00 6.99 O ATOM 1520 CB ASN A 105 32.083 -6.980 -4.587 1.00 8.91 C ATOM 1521 CG ASN A 105 32.859 -8.113 -5.238 1.00 9.80 C ATOM 1522 OD1 ASN A 105 33.754 -7.878 -6.049 1.00 10.00 O ATOM 1523 ND2 ASN A 105 32.523 -9.347 -4.897 1.00 10.49 N ATOM 0 H ASN A 105 30.658 -5.462 -3.136 1.00 7.54 H new ATOM 0 HA ASN A 105 31.149 -8.338 -3.230 1.00 8.24 H new ATOM 0 HB2 ASN A 105 31.232 -6.718 -5.216 1.00 8.91 H new ATOM 0 HB3 ASN A 105 32.718 -6.096 -4.527 1.00 8.91 H new ATOM 0 HD21 ASN A 105 33.012 -10.141 -5.310 1.00 10.49 H new ATOM 0 HD22 ASN A 105 31.776 -9.504 -4.221 1.00 10.49 H new ATOM 1530 N LEU A 106 32.846 -8.428 -1.451 1.00 7.99 N ATOM 1531 CA LEU A 106 33.827 -8.590 -0.374 1.00 7.70 C ATOM 1532 C LEU A 106 35.250 -8.331 -0.853 1.00 7.69 C ATOM 1533 O LEU A 106 35.946 -7.454 -0.351 1.00 6.94 O ATOM 1534 CB LEU A 106 33.722 -10.022 0.175 1.00 8.64 C ATOM 1535 CG LEU A 106 34.710 -10.405 1.287 1.00 8.79 C ATOM 1536 CD1 LEU A 106 34.069 -11.409 2.225 1.00 9.54 C ATOM 1537 CD2 LEU A 106 35.986 -10.997 0.708 1.00 9.40 C ATOM 0 H LEU A 106 32.243 -9.241 -1.574 1.00 7.99 H new ATOM 0 HA LEU A 106 33.606 -7.859 0.403 1.00 7.70 H new ATOM 0 HB2 LEU A 106 32.710 -10.169 0.552 1.00 8.64 H new ATOM 0 HB3 LEU A 106 33.857 -10.716 -0.655 1.00 8.64 H new ATOM 0 HG LEU A 106 34.967 -9.499 1.836 1.00 8.79 H new ATOM 0 HD11 LEU A 106 34.776 -11.676 3.011 1.00 9.54 H new ATOM 0 HD12 LEU A 106 33.177 -10.971 2.673 1.00 9.54 H new ATOM 0 HD13 LEU A 106 33.793 -12.303 1.667 1.00 9.54 H new ATOM 0 HD21 LEU A 106 36.666 -11.258 1.519 1.00 9.40 H new ATOM 0 HD22 LEU A 106 35.744 -11.892 0.134 1.00 9.40 H new ATOM 0 HD23 LEU A 106 36.463 -10.266 0.056 1.00 9.40 H new ATOM 1549 N GLU A 107 35.671 -9.144 -1.802 1.00 8.63 N ATOM 1550 CA GLU A 107 37.014 -9.067 -2.372 1.00 8.84 C ATOM 1551 C GLU A 107 37.318 -7.678 -2.904 1.00 8.19 C ATOM 1552 O GLU A 107 38.386 -7.123 -2.644 1.00 7.74 O ATOM 1553 CB GLU A 107 37.138 -10.093 -3.487 1.00 10.06 C ATOM 1554 CG GLU A 107 36.862 -11.510 -3.015 1.00 10.88 C ATOM 1555 CD GLU A 107 38.065 -12.172 -2.387 1.00 11.25 C ATOM 1556 OE1 GLU A 107 38.583 -11.650 -1.379 1.00 11.09 O ATOM 1557 OE2 GLU A 107 38.493 -13.228 -2.896 1.00 11.82 O ATOM 0 H GLU A 107 35.093 -9.882 -2.205 1.00 8.63 H new ATOM 0 HA GLU A 107 37.737 -9.280 -1.585 1.00 8.84 H new ATOM 0 HB2 GLU A 107 36.443 -9.839 -4.287 1.00 10.06 H new ATOM 0 HB3 GLU A 107 38.142 -10.044 -3.910 1.00 10.06 H new ATOM 0 HG2 GLU A 107 36.046 -11.493 -2.292 1.00 10.88 H new ATOM 0 HG3 GLU A 107 36.526 -12.109 -3.861 1.00 10.88 H new ATOM 1564 N ARG A 108 36.372 -7.117 -3.635 1.00 8.29 N ATOM 1565 CA ARG A 108 36.531 -5.796 -4.209 1.00 8.02 C ATOM 1566 C ARG A 108 36.513 -4.733 -3.129 1.00 6.88 C ATOM 1567 O ARG A 108 37.086 -3.669 -3.294 1.00 6.69 O ATOM 1568 CB ARG A 108 35.407 -5.532 -5.180 1.00 8.62 C ATOM 1569 CG ARG A 108 35.721 -4.537 -6.262 1.00 8.99 C ATOM 1570 CD ARG A 108 34.497 -4.372 -7.121 1.00 9.70 C ATOM 1571 NE ARG A 108 34.134 -5.626 -7.787 1.00 10.72 N ATOM 1572 CZ ARG A 108 33.977 -5.765 -9.103 1.00 11.45 C ATOM 1573 NH1 ARG A 108 34.105 -4.719 -9.910 1.00 11.31 N ATOM 1574 NH2 ARG A 108 33.670 -6.953 -9.610 1.00 12.41 N ATOM 0 H ARG A 108 35.478 -7.561 -3.846 1.00 8.29 H new ATOM 0 HA ARG A 108 37.491 -5.757 -4.724 1.00 8.02 H new ATOM 0 HB2 ARG A 108 35.121 -6.475 -5.646 1.00 8.62 H new ATOM 0 HB3 ARG A 108 34.541 -5.177 -4.622 1.00 8.62 H new ATOM 0 HG2 ARG A 108 36.011 -3.581 -5.826 1.00 8.99 H new ATOM 0 HG3 ARG A 108 36.563 -4.882 -6.862 1.00 8.99 H new ATOM 0 HD2 ARG A 108 33.664 -4.031 -6.507 1.00 9.70 H new ATOM 0 HD3 ARG A 108 34.678 -3.601 -7.870 1.00 9.70 H new ATOM 0 HE ARG A 108 33.992 -6.450 -7.203 1.00 10.72 H new ATOM 0 HH11 ARG A 108 34.325 -3.801 -9.524 1.00 11.31 H new ATOM 0 HH12 ARG A 108 33.983 -4.833 -10.916 1.00 11.31 H new ATOM 0 HH21 ARG A 108 33.555 -7.757 -8.993 1.00 12.41 H new ATOM 0 HH22 ARG A 108 33.549 -7.062 -10.617 1.00 12.41 H new ATOM 1588 N ALA A 109 35.817 -5.004 -2.037 1.00 6.30 N ATOM 1589 CA ALA A 109 35.802 -4.087 -0.921 1.00 5.34 C ATOM 1590 C ALA A 109 37.202 -3.969 -0.358 1.00 5.09 C ATOM 1591 O ALA A 109 37.729 -2.878 -0.200 1.00 4.76 O ATOM 1592 CB ALA A 109 34.846 -4.558 0.157 1.00 5.03 C ATOM 0 H ALA A 109 35.260 -5.848 -1.904 1.00 6.30 H new ATOM 0 HA ALA A 109 35.460 -3.113 -1.270 1.00 5.34 H new ATOM 0 HB1 ALA A 109 34.854 -3.850 0.985 1.00 5.03 H new ATOM 0 HB2 ALA A 109 33.839 -4.624 -0.254 1.00 5.03 H new ATOM 0 HB3 ALA A 109 35.157 -5.539 0.516 1.00 5.03 H new ATOM 1598 N LEU A 110 37.805 -5.118 -0.088 1.00 5.51 N ATOM 1599 CA LEU A 110 39.186 -5.181 0.361 1.00 5.52 C ATOM 1600 C LEU A 110 40.092 -4.535 -0.677 1.00 5.67 C ATOM 1601 O LEU A 110 41.044 -3.836 -0.343 1.00 5.40 O ATOM 1602 CB LEU A 110 39.577 -6.637 0.556 1.00 6.35 C ATOM 1603 CG LEU A 110 38.674 -7.421 1.501 1.00 6.65 C ATOM 1604 CD1 LEU A 110 38.877 -8.913 1.310 1.00 7.78 C ATOM 1605 CD2 LEU A 110 38.953 -7.024 2.936 1.00 6.44 C ATOM 0 H LEU A 110 37.352 -6.028 -0.174 1.00 5.51 H new ATOM 0 HA LEU A 110 39.293 -4.645 1.304 1.00 5.52 H new ATOM 0 HB2 LEU A 110 39.579 -7.131 -0.416 1.00 6.35 H new ATOM 0 HB3 LEU A 110 40.598 -6.677 0.936 1.00 6.35 H new ATOM 0 HG LEU A 110 37.635 -7.185 1.271 1.00 6.65 H new ATOM 0 HD11 LEU A 110 38.225 -9.459 1.992 1.00 7.78 H new ATOM 0 HD12 LEU A 110 38.636 -9.184 0.282 1.00 7.78 H new ATOM 0 HD13 LEU A 110 39.916 -9.168 1.519 1.00 7.78 H new ATOM 0 HD21 LEU A 110 38.303 -7.590 3.603 1.00 6.44 H new ATOM 0 HD22 LEU A 110 39.994 -7.238 3.177 1.00 6.44 H new ATOM 0 HD23 LEU A 110 38.763 -5.958 3.062 1.00 6.44 H new ATOM 1617 N ASP A 111 39.764 -4.783 -1.940 1.00 6.32 N ATOM 1618 CA ASP A 111 40.427 -4.136 -3.073 1.00 6.81 C ATOM 1619 C ASP A 111 40.373 -2.620 -2.911 1.00 6.41 C ATOM 1620 O ASP A 111 41.393 -1.925 -2.917 1.00 6.49 O ATOM 1621 CB ASP A 111 39.704 -4.500 -4.377 1.00 7.75 C ATOM 1622 CG ASP A 111 40.525 -4.190 -5.612 1.00 8.59 C ATOM 1623 OD1 ASP A 111 40.514 -3.025 -6.068 1.00 8.94 O ATOM 1624 OD2 ASP A 111 41.185 -5.111 -6.139 1.00 9.04 O ATOM 0 H ASP A 111 39.031 -5.438 -2.211 1.00 6.32 H new ATOM 0 HA ASP A 111 41.462 -4.475 -3.106 1.00 6.81 H new ATOM 0 HB2 ASP A 111 39.459 -5.562 -4.367 1.00 7.75 H new ATOM 0 HB3 ASP A 111 38.761 -3.956 -4.428 1.00 7.75 H new ATOM 1629 N TRP A 112 39.152 -2.139 -2.737 1.00 6.15 N ATOM 1630 CA TRP A 112 38.855 -0.724 -2.613 1.00 6.12 C ATOM 1631 C TRP A 112 39.527 -0.137 -1.379 1.00 5.57 C ATOM 1632 O TRP A 112 40.049 0.979 -1.404 1.00 5.97 O ATOM 1633 CB TRP A 112 37.338 -0.544 -2.530 1.00 6.03 C ATOM 1634 CG TRP A 112 36.887 0.865 -2.740 1.00 6.48 C ATOM 1635 CD1 TRP A 112 36.716 1.827 -1.786 1.00 6.79 C ATOM 1636 CD2 TRP A 112 36.550 1.474 -3.989 1.00 7.05 C ATOM 1637 NE1 TRP A 112 36.293 2.994 -2.366 1.00 7.45 N ATOM 1638 CE2 TRP A 112 36.183 2.804 -3.719 1.00 7.60 C ATOM 1639 CE3 TRP A 112 36.528 1.024 -5.314 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 35.789 3.685 -4.722 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 36.138 1.899 -6.307 1.00 8.25 C ATOM 1642 CH2 TRP A 112 35.777 3.217 -6.009 1.00 8.69 C ATOM 0 H TRP A 112 38.326 -2.734 -2.677 1.00 6.15 H new ATOM 0 HA TRP A 112 39.242 -0.196 -3.485 1.00 6.12 H new ATOM 0 HB2 TRP A 112 36.864 -1.183 -3.276 1.00 6.03 H new ATOM 0 HB3 TRP A 112 36.994 -0.884 -1.553 1.00 6.03 H new ATOM 0 HD1 TRP A 112 36.889 1.688 -0.729 1.00 6.79 H new ATOM 0 HE1 TRP A 112 36.092 3.863 -1.871 1.00 7.45 H new ATOM 0 HE3 TRP A 112 36.811 0.010 -5.555 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 35.503 4.701 -4.494 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 36.111 1.560 -7.332 1.00 8.25 H new ATOM 0 HH2 TRP A 112 35.483 3.879 -6.810 1.00 8.69 H new ATOM 1653 N ILE A 113 39.514 -0.909 -0.306 1.00 4.92 N ATOM 1654 CA ILE A 113 40.098 -0.495 0.954 1.00 4.71 C ATOM 1655 C ILE A 113 41.624 -0.476 0.878 1.00 4.95 C ATOM 1656 O ILE A 113 42.273 0.388 1.465 1.00 5.25 O ATOM 1657 CB ILE A 113 39.636 -1.422 2.092 1.00 4.41 C ATOM 1658 CG1 ILE A 113 38.121 -1.296 2.279 1.00 4.22 C ATOM 1659 CG2 ILE A 113 40.368 -1.085 3.381 1.00 4.75 C ATOM 1660 CD1 ILE A 113 37.568 -2.122 3.409 1.00 4.30 C ATOM 0 H ILE A 113 39.098 -1.840 -0.286 1.00 4.92 H new ATOM 0 HA ILE A 113 39.756 0.519 1.162 1.00 4.71 H new ATOM 0 HB ILE A 113 39.872 -2.453 1.830 1.00 4.41 H new ATOM 0 HG12 ILE A 113 37.874 -0.249 2.454 1.00 4.22 H new ATOM 0 HG13 ILE A 113 37.626 -1.590 1.353 1.00 4.22 H new ATOM 0 HG21 ILE A 113 40.030 -1.750 4.176 1.00 4.75 H new ATOM 0 HG22 ILE A 113 41.441 -1.212 3.234 1.00 4.75 H new ATOM 0 HG23 ILE A 113 40.159 -0.052 3.659 1.00 4.75 H new ATOM 0 HD11 ILE A 113 36.490 -1.976 3.473 1.00 4.30 H new ATOM 0 HD12 ILE A 113 37.781 -3.176 3.228 1.00 4.30 H new ATOM 0 HD13 ILE A 113 38.032 -1.814 4.346 1.00 4.30 H new ATOM 1672 N PHE A 114 42.192 -1.425 0.144 1.00 5.07 N ATOM 1673 CA PHE A 114 43.634 -1.475 -0.068 1.00 5.37 C ATOM 1674 C PHE A 114 44.087 -0.254 -0.859 1.00 5.85 C ATOM 1675 O PHE A 114 45.184 0.271 -0.660 1.00 6.10 O ATOM 1676 CB PHE A 114 44.015 -2.757 -0.816 1.00 5.75 C ATOM 1677 CG PHE A 114 45.497 -2.945 -0.988 1.00 6.09 C ATOM 1678 CD1 PHE A 114 46.306 -3.235 0.102 1.00 6.17 C ATOM 1679 CD2 PHE A 114 46.081 -2.826 -2.237 1.00 6.53 C ATOM 1680 CE1 PHE A 114 47.668 -3.403 -0.053 1.00 6.62 C ATOM 1681 CE2 PHE A 114 47.443 -2.992 -2.396 1.00 6.91 C ATOM 1682 CZ PHE A 114 48.238 -3.281 -1.303 1.00 6.92 C ATOM 0 H PHE A 114 41.674 -2.173 -0.316 1.00 5.07 H new ATOM 0 HA PHE A 114 44.132 -1.474 0.902 1.00 5.37 H new ATOM 0 HB2 PHE A 114 43.610 -3.614 -0.278 1.00 5.75 H new ATOM 0 HB3 PHE A 114 43.544 -2.746 -1.799 1.00 5.75 H new ATOM 0 HD1 PHE A 114 45.865 -3.330 1.083 1.00 6.17 H new ATOM 0 HD2 PHE A 114 45.466 -2.601 -3.096 1.00 6.53 H new ATOM 0 HE1 PHE A 114 48.286 -3.630 0.803 1.00 6.62 H new ATOM 0 HE2 PHE A 114 47.887 -2.896 -3.376 1.00 6.91 H new ATOM 0 HZ PHE A 114 49.303 -3.411 -1.427 1.00 6.92 H new