USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 504 hydrogens (1 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 992 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 992 CACA :(metal ligand) USER MOD Set 1.1: A 143 GLN : amide:sc= 0 X(o=-0.51,f=-0.75) USER MOD Set 1.2: A 148 LYS NZ :NH3+ -147:sc= -0.509 (180deg=-1.95!) USER MOD Set 2.1: A 144 MET CE :methyl 167:sc= -0.762 (180deg=-1.32) USER MOD Set 2.2: A 145 MET CE :methyl -149:sc= -0.0368 (180deg=-2.3) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 107 HIS : no HD1:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 109 MET CE :methyl -129:sc= -0.965 (180deg=-1.7) USER MOD Single : A 110 THR OG1 : rot 66:sc= 0.711 USER MOD Single : A 111 ASN : amide:sc= -2.42 X(o=-2.4,f=-1.9) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -155:sc= -3.56! (180deg=-4.52!) USER MOD Single : A 135 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.567 K(o=-0.57,f=-8.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 146 THR OG1 : rot -140:sc= -0.156 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 12.189 18.512 -2.363 1.00 0.23 N ATOM 2 CA GLU A 82 11.146 19.105 -1.521 1.00 0.25 C ATOM 3 C GLU A 82 11.836 19.721 -0.338 1.00 0.20 C ATOM 4 O GLU A 82 13.005 19.409 -0.116 1.00 0.19 O ATOM 5 CB GLU A 82 10.207 18.006 -1.071 1.00 0.48 C ATOM 6 CG GLU A 82 9.622 17.263 -2.273 1.00 1.68 C ATOM 7 CD GLU A 82 8.734 16.117 -1.840 1.00 1.54 C ATOM 8 OE1 GLU A 82 8.372 16.058 -0.671 1.00 1.71 O ATOM 9 OE2 GLU A 82 8.422 15.276 -2.684 1.00 1.97 O ATOM 0 HA GLU A 82 10.569 19.859 -2.056 1.00 0.25 H new ATOM 0 HB2 GLU A 82 10.742 17.305 -0.430 1.00 0.48 H new ATOM 0 HB3 GLU A 82 9.401 18.433 -0.474 1.00 0.48 H new ATOM 0 HG2 GLU A 82 9.048 17.957 -2.887 1.00 1.68 H new ATOM 0 HG3 GLU A 82 10.432 16.882 -2.895 1.00 1.68 H new ATOM 18 N GLU A 83 11.115 20.585 0.364 1.00 0.19 N ATOM 19 CA GLU A 83 11.558 21.081 1.672 1.00 0.16 C ATOM 20 C GLU A 83 11.945 19.986 2.649 1.00 0.11 C ATOM 21 O GLU A 83 12.948 20.099 3.331 1.00 0.11 O ATOM 22 CB GLU A 83 10.538 22.055 2.307 1.00 0.22 C ATOM 23 CG GLU A 83 9.192 21.466 2.755 1.00 0.78 C ATOM 24 CD GLU A 83 8.595 20.839 1.526 1.00 0.97 C ATOM 25 OE1 GLU A 83 8.175 21.569 0.638 1.00 2.22 O ATOM 26 OE2 GLU A 83 8.700 19.630 1.372 1.00 0.99 O ATOM 0 H GLU A 83 10.219 20.961 0.054 1.00 0.19 H new ATOM 0 HA GLU A 83 12.472 21.637 1.461 1.00 0.16 H new ATOM 0 HB2 GLU A 83 11.009 22.520 3.173 1.00 0.22 H new ATOM 0 HB3 GLU A 83 10.337 22.850 1.589 1.00 0.22 H new ATOM 0 HG2 GLU A 83 9.331 20.727 3.544 1.00 0.78 H new ATOM 0 HG3 GLU A 83 8.539 22.241 3.156 1.00 0.78 H new ATOM 33 N GLU A 84 11.206 18.875 2.610 1.00 0.09 N ATOM 34 CA GLU A 84 11.528 17.788 3.532 1.00 0.07 C ATOM 35 C GLU A 84 13.000 17.429 3.486 1.00 0.08 C ATOM 36 O GLU A 84 13.770 17.594 4.416 1.00 0.13 O ATOM 37 CB GLU A 84 10.647 16.598 3.176 1.00 0.08 C ATOM 38 CG GLU A 84 9.180 16.861 3.514 1.00 0.30 C ATOM 39 CD GLU A 84 8.988 16.590 4.987 1.00 1.19 C ATOM 40 OE1 GLU A 84 8.955 15.419 5.350 1.00 1.64 O ATOM 41 OE2 GLU A 84 8.900 17.538 5.766 1.00 2.28 O ATOM 0 H GLU A 84 10.419 18.708 1.983 1.00 0.09 H new ATOM 0 HA GLU A 84 11.331 18.102 4.557 1.00 0.07 H new ATOM 0 HB2 GLU A 84 10.742 16.380 2.112 1.00 0.08 H new ATOM 0 HB3 GLU A 84 10.992 15.715 3.714 1.00 0.08 H new ATOM 0 HG2 GLU A 84 8.913 17.891 3.277 1.00 0.30 H new ATOM 0 HG3 GLU A 84 8.530 16.218 2.920 1.00 0.30 H new ATOM 48 N ILE A 85 13.416 17.033 2.280 1.00 0.09 N ATOM 49 CA ILE A 85 14.849 16.725 2.155 1.00 0.14 C ATOM 50 C ILE A 85 15.792 17.944 2.159 1.00 0.08 C ATOM 51 O ILE A 85 16.785 18.038 2.870 1.00 0.09 O ATOM 52 CB ILE A 85 15.036 15.785 0.947 1.00 0.20 C ATOM 53 CG1 ILE A 85 14.576 16.424 -0.373 1.00 0.27 C ATOM 54 CG2 ILE A 85 14.241 14.503 1.225 1.00 0.21 C ATOM 55 CD1 ILE A 85 14.619 15.503 -1.592 1.00 0.30 C ATOM 0 H ILE A 85 12.844 16.923 1.443 1.00 0.09 H new ATOM 0 HA ILE A 85 15.164 16.214 3.065 1.00 0.14 H new ATOM 0 HB ILE A 85 16.098 15.571 0.827 1.00 0.20 H new ATOM 0 HG12 ILE A 85 13.556 16.786 -0.247 1.00 0.27 H new ATOM 0 HG13 ILE A 85 15.200 17.295 -0.573 1.00 0.27 H new ATOM 0 HG21 ILE A 85 14.354 13.816 0.386 1.00 0.21 H new ATOM 0 HG22 ILE A 85 14.617 14.032 2.133 1.00 0.21 H new ATOM 0 HG23 ILE A 85 13.187 14.749 1.353 1.00 0.21 H new ATOM 0 HD11 ILE A 85 14.276 16.047 -2.472 1.00 0.30 H new ATOM 0 HD12 ILE A 85 15.641 15.160 -1.753 1.00 0.30 H new ATOM 0 HD13 ILE A 85 13.971 14.643 -1.422 1.00 0.30 H new ATOM 67 N ARG A 86 15.414 18.909 1.308 1.00 0.06 N ATOM 68 CA ARG A 86 16.245 20.097 1.102 1.00 0.09 C ATOM 69 C ARG A 86 16.237 21.067 2.274 1.00 0.11 C ATOM 70 O ARG A 86 17.264 21.502 2.773 1.00 0.17 O ATOM 71 CB ARG A 86 15.775 20.777 -0.194 1.00 0.14 C ATOM 72 CG ARG A 86 16.661 21.795 -0.928 1.00 0.60 C ATOM 73 CD ARG A 86 17.064 23.052 -0.158 1.00 0.60 C ATOM 74 NE ARG A 86 18.013 23.857 -0.929 1.00 0.90 N ATOM 75 CZ ARG A 86 18.503 25.009 -0.439 1.00 1.64 C ATOM 76 NH1 ARG A 86 17.989 25.497 0.690 1.00 1.61 N ATOM 77 NH2 ARG A 86 19.477 25.646 -1.086 1.00 2.72 N ATOM 0 H ARG A 86 14.553 18.889 0.761 1.00 0.06 H new ATOM 0 HA ARG A 86 17.285 19.779 1.022 1.00 0.09 H new ATOM 0 HB2 ARG A 86 15.548 19.983 -0.905 1.00 0.14 H new ATOM 0 HB3 ARG A 86 14.835 21.280 0.034 1.00 0.14 H new ATOM 0 HG2 ARG A 86 17.571 21.285 -1.243 1.00 0.60 H new ATOM 0 HG3 ARG A 86 16.140 22.106 -1.833 1.00 0.60 H new ATOM 0 HD2 ARG A 86 16.177 23.645 0.067 1.00 0.60 H new ATOM 0 HD3 ARG A 86 17.510 22.771 0.796 1.00 0.60 H new ATOM 0 HE ARG A 86 18.307 23.539 -1.852 1.00 0.90 H new ATOM 0 HH11 ARG A 86 17.238 24.998 1.166 1.00 1.61 H new ATOM 0 HH12 ARG A 86 18.347 26.370 1.078 1.00 1.61 H new ATOM 0 HH21 ARG A 86 19.851 25.260 -1.953 1.00 2.72 H new ATOM 0 HH22 ARG A 86 19.849 26.520 -0.715 1.00 2.72 H new ATOM 91 N GLU A 87 15.027 21.467 2.638 1.00 0.09 N ATOM 92 CA GLU A 87 14.925 22.416 3.740 1.00 0.12 C ATOM 93 C GLU A 87 15.279 21.826 5.090 1.00 0.10 C ATOM 94 O GLU A 87 15.905 22.503 5.903 1.00 0.10 O ATOM 95 CB GLU A 87 13.555 23.086 3.773 1.00 0.14 C ATOM 96 CG GLU A 87 13.380 24.121 4.878 1.00 0.39 C ATOM 97 CD GLU A 87 11.950 24.585 4.937 1.00 1.85 C ATOM 98 OE1 GLU A 87 11.566 25.376 4.079 1.00 3.05 O ATOM 99 OE2 GLU A 87 11.260 24.191 5.873 1.00 2.39 O ATOM 0 H GLU A 87 14.147 21.171 2.216 1.00 0.09 H new ATOM 0 HA GLU A 87 15.679 23.178 3.541 1.00 0.12 H new ATOM 0 HB2 GLU A 87 13.378 23.567 2.811 1.00 0.14 H new ATOM 0 HB3 GLU A 87 12.792 22.317 3.890 1.00 0.14 H new ATOM 0 HG2 GLU A 87 13.670 23.692 5.837 1.00 0.39 H new ATOM 0 HG3 GLU A 87 14.038 24.971 4.697 1.00 0.39 H new ATOM 106 N ALA A 88 14.934 20.539 5.303 1.00 0.07 N ATOM 107 CA ALA A 88 15.490 19.971 6.526 1.00 0.06 C ATOM 108 C ALA A 88 16.990 19.983 6.442 1.00 0.04 C ATOM 109 O ALA A 88 17.654 20.401 7.367 1.00 0.06 O ATOM 110 CB ALA A 88 15.022 18.556 6.842 1.00 0.05 C ATOM 0 H ALA A 88 14.347 19.943 4.720 1.00 0.07 H new ATOM 0 HA ALA A 88 15.124 20.599 7.338 1.00 0.06 H new ATOM 0 HB1 ALA A 88 15.487 18.217 7.768 1.00 0.05 H new ATOM 0 HB2 ALA A 88 13.938 18.548 6.956 1.00 0.05 H new ATOM 0 HB3 ALA A 88 15.306 17.889 6.028 1.00 0.05 H new ATOM 116 N PHE A 89 17.502 19.671 5.242 1.00 0.05 N ATOM 117 CA PHE A 89 18.931 19.902 5.023 1.00 0.06 C ATOM 118 C PHE A 89 19.395 21.328 5.264 1.00 0.07 C ATOM 119 O PHE A 89 20.507 21.590 5.705 1.00 0.08 O ATOM 120 CB PHE A 89 19.365 19.425 3.637 1.00 0.07 C ATOM 121 CG PHE A 89 20.849 19.586 3.493 1.00 0.07 C ATOM 122 CD1 PHE A 89 21.682 18.593 4.033 1.00 0.06 C ATOM 123 CD2 PHE A 89 21.372 20.729 2.850 1.00 0.09 C ATOM 124 CE1 PHE A 89 23.068 18.736 3.905 1.00 0.09 C ATOM 125 CE2 PHE A 89 22.764 20.882 2.743 1.00 0.11 C ATOM 126 CZ PHE A 89 23.596 19.871 3.258 1.00 0.11 C ATOM 0 H PHE A 89 16.984 19.282 4.454 1.00 0.05 H new ATOM 0 HA PHE A 89 19.425 19.303 5.788 1.00 0.06 H new ATOM 0 HB2 PHE A 89 19.087 18.380 3.497 1.00 0.07 H new ATOM 0 HB3 PHE A 89 18.850 19.998 2.866 1.00 0.07 H new ATOM 0 HD1 PHE A 89 21.261 17.736 4.537 1.00 0.06 H new ATOM 0 HD2 PHE A 89 20.708 21.478 2.444 1.00 0.09 H new ATOM 0 HE1 PHE A 89 23.730 17.980 4.300 1.00 0.09 H new ATOM 0 HE2 PHE A 89 23.187 21.758 2.275 1.00 0.11 H new ATOM 0 HZ PHE A 89 24.667 19.967 3.155 1.00 0.11 H new ATOM 136 N ARG A 90 18.501 22.269 4.986 1.00 0.07 N ATOM 137 CA ARG A 90 18.889 23.625 5.332 1.00 0.07 C ATOM 138 C ARG A 90 19.033 23.851 6.824 1.00 0.06 C ATOM 139 O ARG A 90 19.882 24.590 7.280 1.00 0.07 O ATOM 140 CB ARG A 90 17.911 24.616 4.721 1.00 0.06 C ATOM 141 CG ARG A 90 18.493 26.018 4.613 1.00 0.35 C ATOM 142 CD ARG A 90 17.750 26.985 5.511 1.00 0.34 C ATOM 143 NE ARG A 90 16.369 27.206 5.068 1.00 1.93 N ATOM 144 CZ ARG A 90 15.665 28.163 5.699 1.00 3.33 C ATOM 145 NH1 ARG A 90 16.247 28.821 6.707 1.00 3.73 N ATOM 146 NH2 ARG A 90 14.413 28.428 5.305 1.00 4.69 N ATOM 0 H ARG A 90 17.583 22.139 4.561 1.00 0.07 H new ATOM 0 HA ARG A 90 19.882 23.787 4.913 1.00 0.07 H new ATOM 0 HB2 ARG A 90 17.620 24.270 3.729 1.00 0.06 H new ATOM 0 HB3 ARG A 90 17.005 24.648 5.326 1.00 0.06 H new ATOM 0 HG2 ARG A 90 19.548 26.000 4.886 1.00 0.35 H new ATOM 0 HG3 ARG A 90 18.437 26.360 3.580 1.00 0.35 H new ATOM 0 HD2 ARG A 90 17.745 26.600 6.531 1.00 0.34 H new ATOM 0 HD3 ARG A 90 18.279 27.938 5.532 1.00 0.34 H new ATOM 0 HE ARG A 90 15.959 26.657 4.313 1.00 1.93 H new ATOM 0 HH11 ARG A 90 17.203 28.593 6.981 1.00 3.73 H new ATOM 0 HH12 ARG A 90 15.735 29.551 7.202 1.00 3.73 H new ATOM 0 HH21 ARG A 90 14.000 27.906 4.532 1.00 4.69 H new ATOM 0 HH22 ARG A 90 13.872 29.152 5.778 1.00 4.69 H new ATOM 160 N VAL A 91 18.147 23.204 7.577 1.00 0.06 N ATOM 161 CA VAL A 91 18.338 23.227 9.029 1.00 0.06 C ATOM 162 C VAL A 91 19.534 22.408 9.485 1.00 0.09 C ATOM 163 O VAL A 91 20.136 22.681 10.519 1.00 0.11 O ATOM 164 CB VAL A 91 17.040 22.765 9.704 1.00 0.04 C ATOM 165 CG1 VAL A 91 17.174 22.367 11.181 1.00 0.06 C ATOM 166 CG2 VAL A 91 15.987 23.854 9.511 1.00 0.02 C ATOM 0 H VAL A 91 17.337 22.686 7.237 1.00 0.06 H new ATOM 0 HA VAL A 91 18.564 24.250 9.329 1.00 0.06 H new ATOM 0 HB VAL A 91 16.740 21.837 9.218 1.00 0.04 H new ATOM 0 HG11 VAL A 91 16.202 22.056 11.564 1.00 0.06 H new ATOM 0 HG12 VAL A 91 17.881 21.542 11.273 1.00 0.06 H new ATOM 0 HG13 VAL A 91 17.535 23.220 11.756 1.00 0.06 H new ATOM 0 HG21 VAL A 91 15.054 23.546 9.984 1.00 0.02 H new ATOM 0 HG22 VAL A 91 16.335 24.782 9.965 1.00 0.02 H new ATOM 0 HG23 VAL A 91 15.819 24.013 8.446 1.00 0.02 H new ATOM 176 N PHE A 92 19.813 21.386 8.666 1.00 0.10 N ATOM 177 CA PHE A 92 20.909 20.478 8.962 1.00 0.13 C ATOM 178 C PHE A 92 22.228 21.187 8.957 1.00 0.17 C ATOM 179 O PHE A 92 22.971 21.085 9.920 1.00 0.19 O ATOM 180 CB PHE A 92 20.935 19.283 8.003 1.00 0.12 C ATOM 181 CG PHE A 92 19.729 18.370 8.144 1.00 0.11 C ATOM 182 CD1 PHE A 92 18.834 18.497 9.231 1.00 0.07 C ATOM 183 CD2 PHE A 92 19.521 17.380 7.157 1.00 0.17 C ATOM 184 CE1 PHE A 92 17.722 17.644 9.318 1.00 0.13 C ATOM 185 CE2 PHE A 92 18.417 16.513 7.250 1.00 0.21 C ATOM 186 CZ PHE A 92 17.529 16.654 8.336 1.00 0.19 C ATOM 0 H PHE A 92 19.300 21.176 7.810 1.00 0.10 H new ATOM 0 HA PHE A 92 20.735 20.094 9.967 1.00 0.13 H new ATOM 0 HB2 PHE A 92 20.986 19.650 6.978 1.00 0.12 H new ATOM 0 HB3 PHE A 92 21.842 18.705 8.179 1.00 0.12 H new ATOM 0 HD1 PHE A 92 19.005 19.246 9.990 1.00 0.07 H new ATOM 0 HD2 PHE A 92 20.210 17.289 6.331 1.00 0.17 H new ATOM 0 HE1 PHE A 92 17.020 17.747 10.132 1.00 0.13 H new ATOM 0 HE2 PHE A 92 18.252 15.752 6.502 1.00 0.21 H new ATOM 0 HZ PHE A 92 16.682 15.988 8.416 1.00 0.19 H new ATOM 196 N ASP A 93 22.426 21.934 7.862 1.00 0.20 N ATOM 197 CA ASP A 93 23.515 22.892 7.811 1.00 0.24 C ATOM 198 C ASP A 93 23.155 24.119 8.615 1.00 0.45 C ATOM 199 O ASP A 93 22.689 25.149 8.137 1.00 0.55 O ATOM 200 CB ASP A 93 23.835 23.257 6.367 1.00 0.27 C ATOM 201 CG ASP A 93 25.163 24.006 6.290 1.00 0.32 C ATOM 202 OD1 ASP A 93 25.880 24.044 7.289 1.00 1.46 O ATOM 203 OD2 ASP A 93 25.464 24.543 5.231 1.00 1.03 O ATOM 0 H ASP A 93 21.853 21.889 7.019 1.00 0.20 H new ATOM 0 HA ASP A 93 24.407 22.443 8.247 1.00 0.24 H new ATOM 0 HB2 ASP A 93 23.884 22.354 5.759 1.00 0.27 H new ATOM 0 HB3 ASP A 93 23.037 23.875 5.956 1.00 0.27 H new ATOM 208 N LYS A 94 23.328 23.914 9.920 1.00 0.56 N ATOM 209 CA LYS A 94 22.871 24.936 10.859 1.00 0.76 C ATOM 210 C LYS A 94 23.500 26.300 10.637 1.00 0.71 C ATOM 211 O LYS A 94 22.910 27.337 10.936 1.00 0.85 O ATOM 212 CB LYS A 94 23.133 24.447 12.280 1.00 0.95 C ATOM 213 CG LYS A 94 22.649 25.367 13.401 1.00 1.08 C ATOM 214 CD LYS A 94 21.147 25.341 13.648 1.00 1.67 C ATOM 215 CE LYS A 94 20.948 25.041 15.128 1.00 2.57 C ATOM 216 NZ LYS A 94 19.573 25.360 15.511 1.00 3.98 N ATOM 0 H LYS A 94 23.761 23.090 10.337 1.00 0.56 H new ATOM 0 HA LYS A 94 21.804 25.080 10.690 1.00 0.76 H new ATOM 0 HB2 LYS A 94 22.656 23.474 12.403 1.00 0.95 H new ATOM 0 HB3 LYS A 94 24.206 24.294 12.399 1.00 0.95 H new ATOM 0 HG2 LYS A 94 23.159 25.091 14.324 1.00 1.08 H new ATOM 0 HG3 LYS A 94 22.946 26.389 13.166 1.00 1.08 H new ATOM 0 HD2 LYS A 94 20.695 26.297 13.384 1.00 1.67 H new ATOM 0 HD3 LYS A 94 20.667 24.581 13.032 1.00 1.67 H new ATOM 0 HE2 LYS A 94 21.158 23.990 15.328 1.00 2.57 H new ATOM 0 HE3 LYS A 94 21.648 25.625 15.725 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 19.438 25.155 16.522 1.00 3.98 H new ATOM 0 HZ2 LYS A 94 19.388 26.368 15.334 1.00 3.98 H new ATOM 0 HZ3 LYS A 94 18.914 24.784 14.950 1.00 3.98 H new ATOM 230 N ASP A 95 24.728 26.242 10.140 1.00 0.59 N ATOM 231 CA ASP A 95 25.457 27.469 9.841 1.00 0.54 C ATOM 232 C ASP A 95 25.270 27.959 8.420 1.00 0.19 C ATOM 233 O ASP A 95 25.439 29.135 8.095 1.00 0.21 O ATOM 234 CB ASP A 95 26.936 27.315 10.203 1.00 0.81 C ATOM 235 CG ASP A 95 27.617 26.174 9.450 1.00 1.98 C ATOM 236 OD1 ASP A 95 26.984 25.142 9.232 1.00 3.10 O ATOM 237 OD2 ASP A 95 28.783 26.331 9.098 1.00 2.32 O ATOM 0 H ASP A 95 25.233 25.379 9.938 1.00 0.59 H new ATOM 0 HA ASP A 95 25.024 28.249 10.467 1.00 0.54 H new ATOM 0 HB2 ASP A 95 27.457 28.248 9.987 1.00 0.81 H new ATOM 0 HB3 ASP A 95 27.026 27.141 11.275 1.00 0.81 H new ATOM 242 N GLY A 96 24.789 27.023 7.586 1.00 0.07 N ATOM 243 CA GLY A 96 24.565 27.409 6.200 1.00 0.43 C ATOM 244 C GLY A 96 25.857 27.581 5.420 1.00 0.33 C ATOM 245 O GLY A 96 25.872 28.259 4.397 1.00 0.46 O ATOM 0 H GLY A 96 24.563 26.059 7.831 1.00 0.07 H new ATOM 0 HA2 GLY A 96 23.949 26.653 5.712 1.00 0.43 H new ATOM 0 HA3 GLY A 96 24.003 28.343 6.174 1.00 0.43 H new ATOM 249 N ASN A 97 26.919 26.960 5.952 1.00 0.12 N ATOM 250 CA ASN A 97 28.241 27.070 5.325 1.00 0.10 C ATOM 251 C ASN A 97 28.377 26.478 3.912 1.00 0.15 C ATOM 252 O ASN A 97 29.383 26.716 3.256 1.00 0.38 O ATOM 253 CB ASN A 97 29.347 26.543 6.285 1.00 0.17 C ATOM 254 CG ASN A 97 29.114 25.109 6.793 1.00 0.30 C ATOM 255 OD1 ASN A 97 29.754 24.652 7.731 1.00 1.31 O ATOM 256 ND2 ASN A 97 28.173 24.430 6.114 1.00 0.76 N ATOM 0 H ASN A 97 26.890 26.389 6.796 1.00 0.12 H new ATOM 0 HA ASN A 97 28.377 28.138 5.157 1.00 0.10 H new ATOM 0 HB2 ASN A 97 30.307 26.582 5.771 1.00 0.17 H new ATOM 0 HB3 ASN A 97 29.417 27.213 7.142 1.00 0.17 H new ATOM 0 HD21 ASN A 97 27.953 23.468 6.371 1.00 0.76 H new ATOM 0 HD22 ASN A 97 27.679 24.877 5.341 1.00 0.76 H new ATOM 263 N GLY A 98 27.327 25.752 3.476 1.00 0.08 N ATOM 264 CA GLY A 98 27.372 24.974 2.233 1.00 0.11 C ATOM 265 C GLY A 98 27.830 23.530 2.392 1.00 0.11 C ATOM 266 O GLY A 98 27.436 22.638 1.646 1.00 0.23 O ATOM 0 H GLY A 98 26.438 25.692 3.972 1.00 0.08 H new ATOM 0 HA2 GLY A 98 26.379 24.977 1.785 1.00 0.11 H new ATOM 0 HA3 GLY A 98 28.039 25.476 1.532 1.00 0.11 H new ATOM 270 N TYR A 99 28.704 23.371 3.389 1.00 0.14 N ATOM 271 CA TYR A 99 29.368 22.090 3.579 1.00 0.18 C ATOM 272 C TYR A 99 28.908 21.373 4.839 1.00 0.19 C ATOM 273 O TYR A 99 28.591 21.962 5.871 1.00 0.18 O ATOM 274 CB TYR A 99 30.891 22.298 3.596 1.00 0.15 C ATOM 275 CG TYR A 99 31.356 23.115 2.404 1.00 0.15 C ATOM 276 CD1 TYR A 99 31.659 22.462 1.190 1.00 0.78 C ATOM 277 CD2 TYR A 99 31.476 24.514 2.541 1.00 0.81 C ATOM 278 CE1 TYR A 99 32.095 23.224 0.091 1.00 0.80 C ATOM 279 CE2 TYR A 99 31.900 25.276 1.442 1.00 0.80 C ATOM 280 CZ TYR A 99 32.214 24.621 0.234 1.00 0.18 C ATOM 281 OH TYR A 99 32.650 25.392 -0.832 1.00 20.00 O ATOM 0 H TYR A 99 28.960 24.096 4.059 1.00 0.14 H new ATOM 0 HA TYR A 99 29.094 21.448 2.742 1.00 0.18 H new ATOM 0 HB2 TYR A 99 31.180 22.802 4.518 1.00 0.15 H new ATOM 0 HB3 TYR A 99 31.391 21.330 3.592 1.00 0.15 H new ATOM 0 HD1 TYR A 99 31.557 21.390 1.106 1.00 0.78 H new ATOM 0 HD2 TYR A 99 31.244 24.993 3.481 1.00 0.81 H new ATOM 0 HE1 TYR A 99 32.335 22.746 -0.847 1.00 0.80 H new ATOM 0 HE2 TYR A 99 31.985 26.350 1.520 1.00 0.80 H new ATOM 0 HH TYR A 99 32.674 26.335 -0.566 1.00 20.00 H new ATOM 291 N ILE A 100 28.889 20.047 4.685 1.00 0.20 N ATOM 292 CA ILE A 100 28.539 19.196 5.816 1.00 0.21 C ATOM 293 C ILE A 100 29.782 18.578 6.400 1.00 0.19 C ATOM 294 O ILE A 100 30.673 18.063 5.730 1.00 0.18 O ATOM 295 CB ILE A 100 27.553 18.100 5.387 1.00 0.23 C ATOM 296 CG1 ILE A 100 26.279 18.759 4.902 1.00 0.26 C ATOM 297 CG2 ILE A 100 27.211 17.104 6.508 1.00 0.17 C ATOM 298 CD1 ILE A 100 25.424 19.253 6.069 1.00 0.31 C ATOM 0 H ILE A 100 29.104 19.555 3.818 1.00 0.20 H new ATOM 0 HA ILE A 100 28.057 19.811 6.576 1.00 0.21 H new ATOM 0 HB ILE A 100 28.037 17.525 4.598 1.00 0.23 H new ATOM 0 HG12 ILE A 100 26.527 19.597 4.251 1.00 0.26 H new ATOM 0 HG13 ILE A 100 25.706 18.050 4.305 1.00 0.26 H new ATOM 0 HG21 ILE A 100 26.510 16.359 6.132 1.00 0.17 H new ATOM 0 HG22 ILE A 100 28.121 16.608 6.844 1.00 0.17 H new ATOM 0 HG23 ILE A 100 26.759 17.638 7.344 1.00 0.17 H new ATOM 0 HD11 ILE A 100 24.518 19.720 5.684 1.00 0.31 H new ATOM 0 HD12 ILE A 100 25.155 18.410 6.705 1.00 0.31 H new ATOM 0 HD13 ILE A 100 25.989 19.981 6.651 1.00 0.31 H new ATOM 310 N SER A 101 29.836 18.648 7.720 1.00 0.21 N ATOM 311 CA SER A 101 30.900 17.882 8.335 1.00 0.19 C ATOM 312 C SER A 101 30.284 16.686 9.006 1.00 0.15 C ATOM 313 O SER A 101 29.130 16.707 9.428 1.00 0.14 O ATOM 314 CB SER A 101 31.646 18.755 9.348 1.00 0.20 C ATOM 315 OG SER A 101 32.690 18.018 10.025 1.00 0.17 O ATOM 0 H SER A 101 29.218 19.175 8.337 1.00 0.21 H new ATOM 0 HA SER A 101 31.620 17.550 7.587 1.00 0.19 H new ATOM 0 HB2 SER A 101 32.080 19.614 8.837 1.00 0.20 H new ATOM 0 HB3 SER A 101 30.940 19.144 10.082 1.00 0.20 H new ATOM 0 HG SER A 101 33.146 18.607 10.662 1.00 0.17 H new ATOM 321 N ALA A 102 31.149 15.684 9.224 1.00 0.11 N ATOM 322 CA ALA A 102 30.750 14.448 9.902 1.00 0.07 C ATOM 323 C ALA A 102 29.955 14.724 11.191 1.00 0.04 C ATOM 324 O ALA A 102 28.886 14.222 11.544 1.00 0.03 O ATOM 325 CB ALA A 102 32.038 13.687 10.210 1.00 0.04 C ATOM 0 H ALA A 102 32.128 15.708 8.940 1.00 0.11 H new ATOM 0 HA ALA A 102 30.086 13.866 9.263 1.00 0.07 H new ATOM 0 HB1 ALA A 102 31.796 12.753 10.718 1.00 0.04 H new ATOM 0 HB2 ALA A 102 32.563 13.469 9.280 1.00 0.04 H new ATOM 0 HB3 ALA A 102 32.675 14.295 10.852 1.00 0.04 H new ATOM 331 N ALA A 103 30.499 15.735 11.904 1.00 0.06 N ATOM 332 CA ALA A 103 29.763 16.176 13.096 1.00 0.06 C ATOM 333 C ALA A 103 28.334 16.649 12.839 1.00 0.04 C ATOM 334 O ALA A 103 27.389 16.338 13.571 1.00 0.07 O ATOM 335 CB ALA A 103 30.519 17.287 13.818 1.00 0.12 C ATOM 0 H ALA A 103 31.371 16.223 11.697 1.00 0.06 H new ATOM 0 HA ALA A 103 29.689 15.280 13.712 1.00 0.06 H new ATOM 0 HB1 ALA A 103 29.956 17.598 14.698 1.00 0.12 H new ATOM 0 HB2 ALA A 103 31.498 16.920 14.125 1.00 0.12 H new ATOM 0 HB3 ALA A 103 30.644 18.137 13.148 1.00 0.12 H new ATOM 341 N GLU A 104 28.198 17.429 11.763 1.00 0.04 N ATOM 342 CA GLU A 104 26.851 17.769 11.323 1.00 0.05 C ATOM 343 C GLU A 104 26.038 16.611 10.813 1.00 0.05 C ATOM 344 O GLU A 104 24.818 16.622 10.955 1.00 0.17 O ATOM 345 CB GLU A 104 26.888 18.822 10.265 1.00 0.08 C ATOM 346 CG GLU A 104 25.813 19.910 10.391 1.00 0.66 C ATOM 347 CD GLU A 104 26.221 21.108 9.537 1.00 0.61 C ATOM 348 OE1 GLU A 104 26.405 20.925 8.338 1.00 0.43 O ATOM 349 OE2 GLU A 104 26.357 22.204 10.076 1.00 0.81 O ATOM 0 H GLU A 104 28.961 17.817 11.209 1.00 0.04 H new ATOM 0 HA GLU A 104 26.357 18.130 12.225 1.00 0.05 H new ATOM 0 HB2 GLU A 104 27.868 19.298 10.282 1.00 0.08 H new ATOM 0 HB3 GLU A 104 26.784 18.341 9.292 1.00 0.08 H new ATOM 0 HG2 GLU A 104 24.847 19.525 10.064 1.00 0.66 H new ATOM 0 HG3 GLU A 104 25.701 20.210 11.433 1.00 0.66 H new ATOM 356 N LEU A 105 26.731 15.575 10.326 1.00 0.07 N ATOM 357 CA LEU A 105 25.980 14.345 10.098 1.00 0.04 C ATOM 358 C LEU A 105 25.287 13.878 11.367 1.00 0.05 C ATOM 359 O LEU A 105 24.083 13.685 11.407 1.00 0.04 O ATOM 360 CB LEU A 105 26.860 13.274 9.467 1.00 0.02 C ATOM 361 CG LEU A 105 26.168 12.453 8.374 1.00 0.03 C ATOM 362 CD1 LEU A 105 24.977 11.639 8.882 1.00 0.13 C ATOM 363 CD2 LEU A 105 25.833 13.294 7.149 1.00 0.16 C ATOM 0 H LEU A 105 27.725 15.559 10.099 1.00 0.07 H new ATOM 0 HA LEU A 105 25.187 14.554 9.379 1.00 0.04 H new ATOM 0 HB2 LEU A 105 27.744 13.750 9.043 1.00 0.02 H new ATOM 0 HB3 LEU A 105 27.206 12.598 10.249 1.00 0.02 H new ATOM 0 HG LEU A 105 26.898 11.711 8.052 1.00 0.03 H new ATOM 0 HD11 LEU A 105 24.536 11.083 8.054 1.00 0.13 H new ATOM 0 HD12 LEU A 105 25.314 10.941 9.649 1.00 0.13 H new ATOM 0 HD13 LEU A 105 24.231 12.311 9.305 1.00 0.13 H new ATOM 0 HD21 LEU A 105 25.344 12.669 6.401 1.00 0.16 H new ATOM 0 HD22 LEU A 105 25.165 14.106 7.437 1.00 0.16 H new ATOM 0 HD23 LEU A 105 26.750 13.709 6.731 1.00 0.16 H new ATOM 375 N ARG A 106 26.030 13.892 12.478 1.00 0.09 N ATOM 376 CA ARG A 106 25.352 13.631 13.759 1.00 0.13 C ATOM 377 C ARG A 106 24.168 14.556 14.076 1.00 0.12 C ATOM 378 O ARG A 106 23.214 14.240 14.791 1.00 0.11 O ATOM 379 CB ARG A 106 26.357 13.673 14.902 1.00 0.23 C ATOM 380 CG ARG A 106 25.685 13.407 16.240 1.00 1.61 C ATOM 381 CD ARG A 106 26.663 13.371 17.384 1.00 1.56 C ATOM 382 NE ARG A 106 26.219 12.329 18.295 1.00 2.66 N ATOM 383 CZ ARG A 106 27.060 11.884 19.242 1.00 2.57 C ATOM 384 NH1 ARG A 106 28.247 12.466 19.388 1.00 2.04 N ATOM 385 NH2 ARG A 106 26.698 10.852 19.998 1.00 3.52 N ATOM 0 H ARG A 106 27.034 14.068 12.526 1.00 0.09 H new ATOM 0 HA ARG A 106 24.921 12.636 13.651 1.00 0.13 H new ATOM 0 HB2 ARG A 106 27.137 12.931 14.731 1.00 0.23 H new ATOM 0 HB3 ARG A 106 26.844 14.648 14.925 1.00 0.23 H new ATOM 0 HG2 ARG A 106 24.940 14.180 16.428 1.00 1.61 H new ATOM 0 HG3 ARG A 106 25.153 12.457 16.192 1.00 1.61 H new ATOM 0 HD2 ARG A 106 27.670 13.163 17.023 1.00 1.56 H new ATOM 0 HD3 ARG A 106 26.699 14.336 17.890 1.00 1.56 H new ATOM 0 HE ARG A 106 25.279 11.940 18.216 1.00 2.66 H new ATOM 0 HH11 ARG A 106 28.512 13.244 18.783 1.00 2.04 H new ATOM 0 HH12 ARG A 106 28.893 12.135 20.105 1.00 2.04 H new ATOM 0 HH21 ARG A 106 25.791 10.408 19.855 1.00 3.52 H new ATOM 0 HH22 ARG A 106 27.328 10.504 20.721 1.00 3.52 H new ATOM 399 N HIS A 107 24.254 15.765 13.529 1.00 0.12 N ATOM 400 CA HIS A 107 23.061 16.604 13.621 1.00 0.15 C ATOM 401 C HIS A 107 21.898 16.026 12.838 1.00 0.12 C ATOM 402 O HIS A 107 20.811 15.826 13.383 1.00 0.16 O ATOM 403 CB HIS A 107 23.366 18.048 13.209 1.00 0.18 C ATOM 404 CG HIS A 107 22.157 18.920 13.431 1.00 0.23 C ATOM 405 ND1 HIS A 107 21.909 19.537 14.597 1.00 0.49 N ATOM 406 CD2 HIS A 107 21.129 19.208 12.528 1.00 0.28 C ATOM 407 CE1 HIS A 107 20.725 20.211 14.440 1.00 0.45 C ATOM 408 NE2 HIS A 107 20.247 20.007 13.173 1.00 0.26 N ATOM 0 H HIS A 107 25.064 16.163 13.054 1.00 0.12 H new ATOM 0 HA HIS A 107 22.755 16.620 14.667 1.00 0.15 H new ATOM 0 HB2 HIS A 107 24.208 18.428 13.787 1.00 0.18 H new ATOM 0 HB3 HIS A 107 23.659 18.080 12.160 1.00 0.18 H new ATOM 0 HD2 HIS A 107 21.053 18.859 11.509 1.00 0.28 H new ATOM 0 HE1 HIS A 107 20.244 20.810 15.199 1.00 0.45 H new ATOM 0 HE2 HIS A 107 19.384 20.388 12.786 1.00 0.26 H new ATOM 416 N VAL A 108 22.183 15.722 11.554 1.00 0.08 N ATOM 417 CA VAL A 108 21.109 15.103 10.784 1.00 0.09 C ATOM 418 C VAL A 108 20.591 13.845 11.458 1.00 0.09 C ATOM 419 O VAL A 108 19.400 13.640 11.564 1.00 0.10 O ATOM 420 CB VAL A 108 21.441 14.916 9.284 1.00 0.09 C ATOM 421 CG1 VAL A 108 22.283 16.081 8.773 1.00 0.10 C ATOM 422 CG2 VAL A 108 22.105 13.598 8.912 1.00 0.09 C ATOM 0 H VAL A 108 23.067 15.880 11.071 1.00 0.08 H new ATOM 0 HA VAL A 108 20.283 15.815 10.781 1.00 0.09 H new ATOM 0 HB VAL A 108 20.468 14.893 8.794 1.00 0.09 H new ATOM 0 HG11 VAL A 108 22.507 15.932 7.717 1.00 0.10 H new ATOM 0 HG12 VAL A 108 21.731 17.012 8.899 1.00 0.10 H new ATOM 0 HG13 VAL A 108 23.214 16.132 9.337 1.00 0.10 H new ATOM 0 HG21 VAL A 108 22.292 13.575 7.838 1.00 0.09 H new ATOM 0 HG22 VAL A 108 23.050 13.503 9.447 1.00 0.09 H new ATOM 0 HG23 VAL A 108 21.449 12.771 9.184 1.00 0.09 H new ATOM 432 N MET A 109 21.507 13.099 12.071 1.00 0.09 N ATOM 433 CA MET A 109 21.120 11.932 12.868 1.00 0.10 C ATOM 434 C MET A 109 20.209 12.268 14.033 1.00 0.09 C ATOM 435 O MET A 109 19.157 11.694 14.297 1.00 0.10 O ATOM 436 CB MET A 109 22.359 11.165 13.339 1.00 0.10 C ATOM 437 CG MET A 109 23.219 10.615 12.200 1.00 0.10 C ATOM 438 SD MET A 109 22.256 10.001 10.800 1.00 0.12 S ATOM 439 CE MET A 109 21.238 8.747 11.601 1.00 0.08 C ATOM 0 H MET A 109 22.511 13.276 12.034 1.00 0.09 H new ATOM 0 HA MET A 109 20.534 11.291 12.209 1.00 0.10 H new ATOM 0 HB2 MET A 109 22.969 11.824 13.956 1.00 0.10 H new ATOM 0 HB3 MET A 109 22.042 10.338 13.974 1.00 0.10 H new ATOM 0 HG2 MET A 109 23.891 11.399 11.852 1.00 0.10 H new ATOM 0 HG3 MET A 109 23.843 9.808 12.584 1.00 0.10 H new ATOM 0 HE1 MET A 109 21.315 7.810 11.050 1.00 0.08 H new ATOM 0 HE2 MET A 109 21.584 8.596 12.624 1.00 0.08 H new ATOM 0 HE3 MET A 109 20.199 9.076 11.614 1.00 0.08 H new ATOM 449 N THR A 110 20.613 13.353 14.714 1.00 0.08 N ATOM 450 CA THR A 110 19.721 13.911 15.737 1.00 0.10 C ATOM 451 C THR A 110 18.315 14.152 15.230 1.00 0.15 C ATOM 452 O THR A 110 17.361 13.771 15.891 1.00 0.16 O ATOM 453 CB THR A 110 20.280 15.206 16.349 1.00 0.15 C ATOM 454 OG1 THR A 110 21.516 14.958 17.024 1.00 0.15 O ATOM 455 CG2 THR A 110 19.314 15.882 17.330 1.00 0.18 C ATOM 0 H THR A 110 21.501 13.838 14.585 1.00 0.08 H new ATOM 0 HA THR A 110 19.669 13.149 16.515 1.00 0.10 H new ATOM 0 HB THR A 110 20.432 15.883 15.509 1.00 0.15 H new ATOM 0 HG1 THR A 110 22.199 14.697 16.371 1.00 0.15 H new ATOM 0 HG21 THR A 110 19.772 16.789 17.724 1.00 0.18 H new ATOM 0 HG22 THR A 110 18.389 16.137 16.812 1.00 0.18 H new ATOM 0 HG23 THR A 110 19.094 15.200 18.152 1.00 0.18 H new ATOM 463 N ASN A 111 18.250 14.777 14.049 1.00 0.21 N ATOM 464 CA ASN A 111 16.965 14.968 13.383 1.00 0.29 C ATOM 465 C ASN A 111 16.263 13.663 13.036 1.00 0.30 C ATOM 466 O ASN A 111 15.061 13.525 13.162 1.00 0.35 O ATOM 467 CB ASN A 111 17.183 15.819 12.134 1.00 0.35 C ATOM 468 CG ASN A 111 15.867 16.184 11.478 1.00 0.46 C ATOM 469 OD1 ASN A 111 15.373 17.295 11.619 1.00 1.12 O ATOM 470 ND2 ASN A 111 15.308 15.206 10.755 1.00 0.78 N ATOM 0 H ASN A 111 19.055 15.151 13.547 1.00 0.21 H new ATOM 0 HA ASN A 111 16.301 15.478 14.081 1.00 0.29 H new ATOM 0 HB2 ASN A 111 17.723 16.728 12.401 1.00 0.35 H new ATOM 0 HB3 ASN A 111 17.806 15.274 11.425 1.00 0.35 H new ATOM 0 HD21 ASN A 111 14.418 15.366 10.282 1.00 0.78 H new ATOM 0 HD22 ASN A 111 15.772 14.301 10.677 1.00 0.78 H new ATOM 477 N LEU A 112 17.073 12.702 12.604 1.00 0.28 N ATOM 478 CA LEU A 112 16.583 11.371 12.247 1.00 0.32 C ATOM 479 C LEU A 112 16.059 10.601 13.461 1.00 0.36 C ATOM 480 O LEU A 112 15.481 9.525 13.378 1.00 0.43 O ATOM 481 CB LEU A 112 17.714 10.600 11.548 1.00 0.30 C ATOM 482 CG LEU A 112 17.843 10.711 10.014 1.00 0.29 C ATOM 483 CD1 LEU A 112 16.820 9.823 9.315 1.00 0.22 C ATOM 484 CD2 LEU A 112 17.816 12.134 9.446 1.00 0.45 C ATOM 0 H LEU A 112 18.080 12.820 12.491 1.00 0.28 H new ATOM 0 HA LEU A 112 15.736 11.481 11.570 1.00 0.32 H new ATOM 0 HB2 LEU A 112 18.657 10.928 11.984 1.00 0.30 H new ATOM 0 HB3 LEU A 112 17.598 9.545 11.795 1.00 0.30 H new ATOM 0 HG LEU A 112 18.850 10.354 9.799 1.00 0.29 H new ATOM 0 HD11 LEU A 112 16.932 9.920 8.235 1.00 0.22 H new ATOM 0 HD12 LEU A 112 16.981 8.785 9.605 1.00 0.22 H new ATOM 0 HD13 LEU A 112 15.815 10.129 9.604 1.00 0.22 H new ATOM 0 HD21 LEU A 112 17.914 12.095 8.361 1.00 0.45 H new ATOM 0 HD22 LEU A 112 16.872 12.613 9.708 1.00 0.45 H new ATOM 0 HD23 LEU A 112 18.643 12.708 9.864 1.00 0.45 H new ATOM 496 N GLY A 113 16.297 11.207 14.634 1.00 0.35 N ATOM 497 CA GLY A 113 15.827 10.568 15.854 1.00 0.41 C ATOM 498 C GLY A 113 16.940 9.790 16.515 1.00 0.25 C ATOM 499 O GLY A 113 17.096 9.787 17.735 1.00 0.23 O ATOM 0 H GLY A 113 16.787 12.093 14.755 1.00 0.35 H new ATOM 0 HA2 GLY A 113 15.447 11.323 16.542 1.00 0.41 H new ATOM 0 HA3 GLY A 113 14.997 9.900 15.623 1.00 0.41 H new ATOM 503 N GLU A 114 17.726 9.181 15.626 1.00 0.23 N ATOM 504 CA GLU A 114 18.756 8.272 16.082 1.00 0.16 C ATOM 505 C GLU A 114 20.092 8.928 15.945 1.00 0.17 C ATOM 506 O GLU A 114 20.500 9.307 14.864 1.00 0.30 O ATOM 507 CB GLU A 114 18.684 6.974 15.278 1.00 0.31 C ATOM 508 CG GLU A 114 17.377 6.216 15.547 1.00 0.32 C ATOM 509 CD GLU A 114 17.214 5.999 17.046 1.00 1.29 C ATOM 510 OE1 GLU A 114 18.168 5.554 17.688 1.00 1.69 O ATOM 511 OE2 GLU A 114 16.148 6.311 17.577 1.00 2.29 O ATOM 0 H GLU A 114 17.666 9.301 14.615 1.00 0.23 H new ATOM 0 HA GLU A 114 18.604 8.027 17.133 1.00 0.16 H new ATOM 0 HB2 GLU A 114 18.763 7.199 14.214 1.00 0.31 H new ATOM 0 HB3 GLU A 114 19.533 6.339 15.533 1.00 0.31 H new ATOM 0 HG2 GLU A 114 16.530 6.780 15.156 1.00 0.32 H new ATOM 0 HG3 GLU A 114 17.387 5.257 15.029 1.00 0.32 H new ATOM 518 N LYS A 115 20.732 9.135 17.099 1.00 0.05 N ATOM 519 CA LYS A 115 22.054 9.753 16.990 1.00 0.07 C ATOM 520 C LYS A 115 23.139 8.715 16.960 1.00 0.16 C ATOM 521 O LYS A 115 23.193 7.901 17.868 1.00 0.16 O ATOM 522 CB LYS A 115 22.346 10.662 18.180 1.00 0.13 C ATOM 523 CG LYS A 115 21.208 11.624 18.498 1.00 0.23 C ATOM 524 CD LYS A 115 21.557 12.561 19.652 1.00 0.62 C ATOM 525 CE LYS A 115 20.376 13.438 20.074 1.00 0.67 C ATOM 526 NZ LYS A 115 19.524 12.718 21.030 1.00 1.51 N ATOM 0 H LYS A 115 20.398 8.909 18.036 1.00 0.05 H new ATOM 0 HA LYS A 115 22.042 10.328 16.064 1.00 0.07 H new ATOM 0 HB2 LYS A 115 22.548 10.047 19.057 1.00 0.13 H new ATOM 0 HB3 LYS A 115 23.251 11.235 17.977 1.00 0.13 H new ATOM 0 HG2 LYS A 115 20.973 12.213 17.611 1.00 0.23 H new ATOM 0 HG3 LYS A 115 20.313 11.056 18.750 1.00 0.23 H new ATOM 0 HD2 LYS A 115 21.891 11.971 20.506 1.00 0.62 H new ATOM 0 HD3 LYS A 115 22.392 13.198 19.359 1.00 0.62 H new ATOM 0 HE2 LYS A 115 20.742 14.360 20.525 1.00 0.67 H new ATOM 0 HE3 LYS A 115 19.793 13.721 19.198 1.00 0.67 H new ATOM 0 HZ1 LYS A 115 18.726 13.324 21.309 1.00 1.51 H new ATOM 0 HZ2 LYS A 115 19.161 11.850 20.587 1.00 1.51 H new ATOM 0 HZ3 LYS A 115 20.081 12.470 21.873 1.00 1.51 H new ATOM 540 N LEU A 116 24.005 8.827 15.970 1.00 0.29 N ATOM 541 CA LEU A 116 25.074 7.846 15.940 1.00 0.43 C ATOM 542 C LEU A 116 26.296 8.387 16.669 1.00 0.31 C ATOM 543 O LEU A 116 26.407 9.592 16.936 1.00 0.48 O ATOM 544 CB LEU A 116 25.301 7.459 14.483 1.00 0.69 C ATOM 545 CG LEU A 116 24.112 6.716 13.852 1.00 2.59 C ATOM 546 CD1 LEU A 116 24.121 6.719 12.324 1.00 3.39 C ATOM 547 CD2 LEU A 116 24.026 5.282 14.366 1.00 3.77 C ATOM 0 H LEU A 116 23.999 9.528 15.229 1.00 0.29 H new ATOM 0 HA LEU A 116 24.821 6.932 16.477 1.00 0.43 H new ATOM 0 HB2 LEU A 116 25.505 8.360 13.904 1.00 0.69 H new ATOM 0 HB3 LEU A 116 26.189 6.830 14.417 1.00 0.69 H new ATOM 0 HG LEU A 116 23.227 7.272 14.161 1.00 2.59 H new ATOM 0 HD11 LEU A 116 23.251 6.176 11.954 1.00 3.39 H new ATOM 0 HD12 LEU A 116 24.088 7.747 11.962 1.00 3.39 H new ATOM 0 HD13 LEU A 116 25.030 6.237 11.965 1.00 3.39 H new ATOM 0 HD21 LEU A 116 23.176 4.780 13.903 1.00 3.77 H new ATOM 0 HD22 LEU A 116 24.943 4.750 14.114 1.00 3.77 H new ATOM 0 HD23 LEU A 116 23.897 5.291 15.448 1.00 3.77 H new ATOM 559 N THR A 117 27.141 7.443 17.105 1.00 0.28 N ATOM 560 CA THR A 117 28.309 7.886 17.855 1.00 0.13 C ATOM 561 C THR A 117 29.410 8.363 16.932 1.00 0.22 C ATOM 562 O THR A 117 29.303 8.280 15.723 1.00 0.25 O ATOM 563 CB THR A 117 28.805 6.767 18.773 1.00 0.09 C ATOM 564 OG1 THR A 117 29.248 5.673 17.986 1.00 0.18 O ATOM 565 CG2 THR A 117 27.718 6.325 19.756 1.00 0.30 C ATOM 0 H THR A 117 27.046 6.437 16.962 1.00 0.28 H new ATOM 0 HA THR A 117 28.015 8.734 18.473 1.00 0.13 H new ATOM 0 HB THR A 117 29.638 7.146 19.365 1.00 0.09 H new ATOM 0 HG1 THR A 117 29.568 4.956 18.573 1.00 0.18 H new ATOM 0 HG21 THR A 117 28.105 5.529 20.392 1.00 0.30 H new ATOM 0 HG22 THR A 117 27.420 7.172 20.374 1.00 0.30 H new ATOM 0 HG23 THR A 117 26.854 5.959 19.202 1.00 0.30 H new ATOM 573 N ASP A 118 30.471 8.880 17.563 1.00 0.30 N ATOM 574 CA ASP A 118 31.602 9.406 16.801 1.00 0.39 C ATOM 575 C ASP A 118 32.269 8.395 15.865 1.00 0.35 C ATOM 576 O ASP A 118 32.739 8.756 14.802 1.00 0.38 O ATOM 577 CB ASP A 118 32.584 10.114 17.761 1.00 0.47 C ATOM 578 CG ASP A 118 31.903 11.201 18.628 1.00 0.45 C ATOM 579 OD1 ASP A 118 30.860 11.764 18.265 1.00 0.69 O ATOM 580 OD2 ASP A 118 32.397 11.493 19.711 1.00 1.60 O ATOM 0 H ASP A 118 30.567 8.944 18.576 1.00 0.30 H new ATOM 0 HA ASP A 118 31.211 10.145 16.102 1.00 0.39 H new ATOM 0 HB2 ASP A 118 33.044 9.372 18.413 1.00 0.47 H new ATOM 0 HB3 ASP A 118 33.386 10.570 17.181 1.00 0.47 H new ATOM 585 N GLU A 119 32.202 7.116 16.283 1.00 0.29 N ATOM 586 CA GLU A 119 32.716 6.022 15.449 1.00 0.26 C ATOM 587 C GLU A 119 31.998 5.972 14.107 1.00 0.24 C ATOM 588 O GLU A 119 32.546 6.040 13.015 1.00 0.32 O ATOM 589 CB GLU A 119 32.523 4.735 16.264 1.00 0.24 C ATOM 590 CG GLU A 119 33.488 3.571 15.998 1.00 0.29 C ATOM 591 CD GLU A 119 33.205 2.821 14.712 1.00 0.96 C ATOM 592 OE1 GLU A 119 32.175 3.064 14.098 1.00 1.48 O ATOM 593 OE2 GLU A 119 34.027 1.979 14.354 1.00 1.75 O ATOM 0 H GLU A 119 31.805 6.823 17.175 1.00 0.29 H new ATOM 0 HA GLU A 119 33.770 6.162 15.207 1.00 0.26 H new ATOM 0 HB2 GLU A 119 32.592 4.993 17.321 1.00 0.24 H new ATOM 0 HB3 GLU A 119 31.509 4.376 16.090 1.00 0.24 H new ATOM 0 HG2 GLU A 119 34.507 3.957 15.966 1.00 0.29 H new ATOM 0 HG3 GLU A 119 33.438 2.872 16.833 1.00 0.29 H new ATOM 600 N GLU A 120 30.673 5.976 14.303 1.00 0.22 N ATOM 601 CA GLU A 120 29.767 5.936 13.176 1.00 0.23 C ATOM 602 C GLU A 120 29.921 7.168 12.326 1.00 0.25 C ATOM 603 O GLU A 120 29.999 7.115 11.123 1.00 0.32 O ATOM 604 CB GLU A 120 28.342 5.808 13.692 1.00 0.23 C ATOM 605 CG GLU A 120 28.079 4.516 14.474 1.00 0.24 C ATOM 606 CD GLU A 120 27.778 3.348 13.551 1.00 0.35 C ATOM 607 OE1 GLU A 120 28.153 3.384 12.384 1.00 0.68 O ATOM 608 OE2 GLU A 120 27.151 2.396 14.011 1.00 0.62 O ATOM 0 H GLU A 120 30.223 6.006 15.218 1.00 0.22 H new ATOM 0 HA GLU A 120 30.002 5.075 12.551 1.00 0.23 H new ATOM 0 HB2 GLU A 120 28.120 6.661 14.333 1.00 0.23 H new ATOM 0 HB3 GLU A 120 27.654 5.857 12.848 1.00 0.23 H new ATOM 0 HG2 GLU A 120 28.948 4.279 15.088 1.00 0.24 H new ATOM 0 HG3 GLU A 120 27.241 4.667 15.154 1.00 0.24 H new ATOM 615 N VAL A 121 30.025 8.318 12.995 1.00 0.19 N ATOM 616 CA VAL A 121 30.297 9.587 12.297 1.00 0.19 C ATOM 617 C VAL A 121 31.511 9.561 11.345 1.00 0.20 C ATOM 618 O VAL A 121 31.554 10.130 10.259 1.00 0.23 O ATOM 619 CB VAL A 121 30.372 10.668 13.383 1.00 0.18 C ATOM 620 CG1 VAL A 121 30.807 12.015 12.867 1.00 0.44 C ATOM 621 CG2 VAL A 121 29.031 10.833 14.097 1.00 0.44 C ATOM 0 H VAL A 121 29.927 8.403 14.007 1.00 0.19 H new ATOM 0 HA VAL A 121 29.490 9.802 11.597 1.00 0.19 H new ATOM 0 HB VAL A 121 31.133 10.313 14.079 1.00 0.18 H new ATOM 0 HG11 VAL A 121 30.837 12.728 13.691 1.00 0.44 H new ATOM 0 HG12 VAL A 121 31.799 11.932 12.423 1.00 0.44 H new ATOM 0 HG13 VAL A 121 30.100 12.361 12.113 1.00 0.44 H new ATOM 0 HG21 VAL A 121 29.118 11.606 14.860 1.00 0.44 H new ATOM 0 HG22 VAL A 121 28.267 11.121 13.375 1.00 0.44 H new ATOM 0 HG23 VAL A 121 28.750 9.890 14.566 1.00 0.44 H new ATOM 631 N ASP A 122 32.498 8.782 11.793 1.00 0.18 N ATOM 632 CA ASP A 122 33.601 8.531 10.865 1.00 0.18 C ATOM 633 C ASP A 122 33.154 7.734 9.651 1.00 0.19 C ATOM 634 O ASP A 122 33.422 8.081 8.508 1.00 0.22 O ATOM 635 CB ASP A 122 34.769 7.820 11.555 1.00 0.21 C ATOM 636 CG ASP A 122 35.443 8.649 12.646 1.00 0.33 C ATOM 637 OD1 ASP A 122 35.199 9.853 12.776 1.00 1.29 O ATOM 638 OD2 ASP A 122 36.243 8.078 13.380 1.00 0.80 O ATOM 0 H ASP A 122 32.560 8.346 12.713 1.00 0.18 H new ATOM 0 HA ASP A 122 33.942 9.508 10.523 1.00 0.18 H new ATOM 0 HB2 ASP A 122 34.407 6.889 11.991 1.00 0.21 H new ATOM 0 HB3 ASP A 122 35.513 7.553 10.804 1.00 0.21 H new ATOM 643 N GLU A 123 32.379 6.678 9.934 1.00 0.18 N ATOM 644 CA GLU A 123 31.676 6.016 8.829 1.00 0.19 C ATOM 645 C GLU A 123 30.785 6.948 8.013 1.00 0.17 C ATOM 646 O GLU A 123 30.624 6.770 6.820 1.00 0.18 O ATOM 647 CB GLU A 123 30.881 4.794 9.310 1.00 0.20 C ATOM 648 CG GLU A 123 30.310 3.978 8.145 1.00 1.72 C ATOM 649 CD GLU A 123 29.419 2.856 8.626 1.00 2.29 C ATOM 650 OE1 GLU A 123 28.254 3.124 8.928 1.00 2.51 O ATOM 651 OE2 GLU A 123 29.891 1.714 8.652 1.00 3.19 O ATOM 0 H GLU A 123 32.228 6.282 10.862 1.00 0.18 H new ATOM 0 HA GLU A 123 32.465 5.679 8.156 1.00 0.19 H new ATOM 0 HB2 GLU A 123 31.527 4.158 9.914 1.00 0.20 H new ATOM 0 HB3 GLU A 123 30.066 5.124 9.954 1.00 0.20 H new ATOM 0 HG2 GLU A 123 29.743 4.635 7.485 1.00 1.72 H new ATOM 0 HG3 GLU A 123 31.129 3.564 7.556 1.00 1.72 H new ATOM 658 N MET A 124 30.266 7.997 8.661 1.00 0.14 N ATOM 659 CA MET A 124 29.502 9.013 7.948 1.00 0.12 C ATOM 660 C MET A 124 30.329 9.728 6.938 1.00 0.09 C ATOM 661 O MET A 124 29.857 9.964 5.841 1.00 0.09 O ATOM 662 CB MET A 124 28.959 10.072 8.872 1.00 0.11 C ATOM 663 CG MET A 124 27.670 9.668 9.538 1.00 0.17 C ATOM 664 SD MET A 124 27.588 8.117 10.389 1.00 1.63 S ATOM 665 CE MET A 124 26.789 8.868 11.787 1.00 1.81 C ATOM 0 H MET A 124 30.362 8.159 9.663 1.00 0.14 H new ATOM 0 HA MET A 124 28.690 8.465 7.470 1.00 0.12 H new ATOM 0 HB2 MET A 124 29.703 10.295 9.637 1.00 0.11 H new ATOM 0 HB3 MET A 124 28.798 10.991 8.308 1.00 0.11 H new ATOM 0 HG2 MET A 124 27.411 10.449 10.253 1.00 0.17 H new ATOM 0 HG3 MET A 124 26.893 9.665 8.774 1.00 0.17 H new ATOM 0 HE1 MET A 124 26.982 8.273 12.679 1.00 1.81 H new ATOM 0 HE2 MET A 124 27.179 9.875 11.931 1.00 1.81 H new ATOM 0 HE3 MET A 124 25.715 8.917 11.609 1.00 1.81 H new ATOM 675 N ILE A 125 31.591 10.002 7.318 1.00 0.09 N ATOM 676 CA ILE A 125 32.477 10.480 6.263 1.00 0.07 C ATOM 677 C ILE A 125 32.464 9.509 5.113 1.00 0.08 C ATOM 678 O ILE A 125 32.243 9.882 3.995 1.00 0.08 O ATOM 679 CB ILE A 125 33.912 10.746 6.744 1.00 0.07 C ATOM 680 CG1 ILE A 125 33.881 11.894 7.746 1.00 0.06 C ATOM 681 CG2 ILE A 125 34.837 11.107 5.570 1.00 0.09 C ATOM 682 CD1 ILE A 125 35.271 12.376 8.170 1.00 0.07 C ATOM 0 H ILE A 125 31.985 9.911 8.254 1.00 0.09 H new ATOM 0 HA ILE A 125 32.093 11.446 5.934 1.00 0.07 H new ATOM 0 HB ILE A 125 34.303 9.841 7.209 1.00 0.07 H new ATOM 0 HG12 ILE A 125 33.333 12.730 7.311 1.00 0.06 H new ATOM 0 HG13 ILE A 125 33.330 11.577 8.631 1.00 0.06 H new ATOM 0 HG21 ILE A 125 35.845 11.289 5.943 1.00 0.09 H new ATOM 0 HG22 ILE A 125 34.858 10.283 4.857 1.00 0.09 H new ATOM 0 HG23 ILE A 125 34.465 12.005 5.077 1.00 0.09 H new ATOM 0 HD11 ILE A 125 35.171 13.194 8.884 1.00 0.07 H new ATOM 0 HD12 ILE A 125 35.815 11.554 8.635 1.00 0.07 H new ATOM 0 HD13 ILE A 125 35.818 12.724 7.294 1.00 0.07 H new ATOM 694 N ARG A 126 32.633 8.237 5.403 1.00 0.13 N ATOM 695 CA ARG A 126 32.604 7.289 4.284 1.00 0.15 C ATOM 696 C ARG A 126 31.320 7.220 3.426 1.00 0.10 C ATOM 697 O ARG A 126 31.320 7.353 2.201 1.00 0.09 O ATOM 698 CB ARG A 126 33.044 5.958 4.887 1.00 0.22 C ATOM 699 CG ARG A 126 32.989 4.768 3.953 1.00 0.47 C ATOM 700 CD ARG A 126 31.634 4.035 3.934 1.00 0.81 C ATOM 701 NE ARG A 126 31.147 3.859 2.560 1.00 1.67 N ATOM 702 CZ ARG A 126 31.799 3.021 1.737 1.00 2.87 C ATOM 703 NH1 ARG A 126 32.845 2.330 2.190 1.00 3.16 N ATOM 704 NH2 ARG A 126 31.404 2.903 0.469 1.00 4.42 N ATOM 0 H ARG A 126 32.783 7.843 6.332 1.00 0.13 H new ATOM 0 HA ARG A 126 33.280 7.639 3.504 1.00 0.15 H new ATOM 0 HB2 ARG A 126 34.066 6.065 5.251 1.00 0.22 H new ATOM 0 HB3 ARG A 126 32.417 5.747 5.753 1.00 0.22 H new ATOM 0 HG2 ARG A 126 33.221 5.104 2.942 1.00 0.47 H new ATOM 0 HG3 ARG A 126 33.767 4.060 4.240 1.00 0.47 H new ATOM 0 HD2 ARG A 126 31.737 3.062 4.414 1.00 0.81 H new ATOM 0 HD3 ARG A 126 30.903 4.600 4.512 1.00 0.81 H new ATOM 0 HE ARG A 126 30.324 4.366 2.235 1.00 1.67 H new ATOM 0 HH11 ARG A 126 33.147 2.439 3.158 1.00 3.16 H new ATOM 0 HH12 ARG A 126 33.343 1.693 1.569 1.00 3.16 H new ATOM 0 HH21 ARG A 126 30.611 3.447 0.129 1.00 4.42 H new ATOM 0 HH22 ARG A 126 31.895 2.269 -0.161 1.00 4.42 H new ATOM 718 N GLU A 127 30.205 6.939 4.120 1.00 0.11 N ATOM 719 CA GLU A 127 28.903 6.753 3.475 1.00 0.09 C ATOM 720 C GLU A 127 28.406 8.021 2.814 1.00 0.09 C ATOM 721 O GLU A 127 27.681 8.018 1.823 1.00 0.12 O ATOM 722 CB GLU A 127 27.867 6.164 4.468 1.00 0.16 C ATOM 723 CG GLU A 127 26.522 5.753 3.819 1.00 0.26 C ATOM 724 CD GLU A 127 25.577 4.945 4.726 1.00 0.81 C ATOM 725 OE1 GLU A 127 25.683 3.714 4.774 1.00 0.98 O ATOM 726 OE2 GLU A 127 24.685 5.525 5.357 1.00 1.95 O ATOM 0 H GLU A 127 30.184 6.836 5.135 1.00 0.11 H new ATOM 0 HA GLU A 127 29.037 6.026 2.674 1.00 0.09 H new ATOM 0 HB2 GLU A 127 28.303 5.292 4.955 1.00 0.16 H new ATOM 0 HB3 GLU A 127 27.671 6.899 5.248 1.00 0.16 H new ATOM 0 HG2 GLU A 127 26.004 6.655 3.493 1.00 0.26 H new ATOM 0 HG3 GLU A 127 26.733 5.165 2.925 1.00 0.26 H new ATOM 733 N ALA A 128 28.842 9.134 3.407 1.00 0.08 N ATOM 734 CA ALA A 128 28.459 10.408 2.823 1.00 0.11 C ATOM 735 C ALA A 128 29.424 10.963 1.803 1.00 0.11 C ATOM 736 O ALA A 128 28.990 11.684 0.919 1.00 0.09 O ATOM 737 CB ALA A 128 28.186 11.433 3.907 1.00 0.11 C ATOM 0 H ALA A 128 29.426 9.178 4.242 1.00 0.08 H new ATOM 0 HA ALA A 128 27.546 10.198 2.266 1.00 0.11 H new ATOM 0 HB1 ALA A 128 27.901 12.380 3.449 1.00 0.11 H new ATOM 0 HB2 ALA A 128 27.376 11.080 4.546 1.00 0.11 H new ATOM 0 HB3 ALA A 128 29.085 11.576 4.507 1.00 0.11 H new ATOM 743 N ASP A 129 30.686 10.524 1.916 1.00 0.15 N ATOM 744 CA ASP A 129 31.729 10.928 0.977 1.00 0.20 C ATOM 745 C ASP A 129 31.830 9.967 -0.203 1.00 0.20 C ATOM 746 O ASP A 129 32.478 8.922 -0.180 1.00 0.24 O ATOM 747 CB ASP A 129 33.090 11.112 1.691 1.00 0.28 C ATOM 748 CG ASP A 129 34.114 11.711 0.726 1.00 1.08 C ATOM 749 OD1 ASP A 129 33.708 12.383 -0.221 1.00 1.93 O ATOM 750 OD2 ASP A 129 35.307 11.503 0.938 1.00 1.71 O ATOM 0 H ASP A 129 31.004 9.890 2.649 1.00 0.15 H new ATOM 0 HA ASP A 129 31.444 11.898 0.570 1.00 0.20 H new ATOM 0 HB2 ASP A 129 32.970 11.764 2.556 1.00 0.28 H new ATOM 0 HB3 ASP A 129 33.447 10.151 2.062 1.00 0.28 H new ATOM 755 N ILE A 130 31.103 10.308 -1.259 1.00 0.18 N ATOM 756 CA ILE A 130 31.116 9.488 -2.479 1.00 0.19 C ATOM 757 C ILE A 130 32.132 9.966 -3.525 1.00 0.30 C ATOM 758 O ILE A 130 32.747 9.198 -4.278 1.00 0.45 O ATOM 759 CB ILE A 130 29.689 9.366 -3.065 1.00 0.09 C ATOM 760 CG1 ILE A 130 28.758 8.544 -2.162 1.00 0.10 C ATOM 761 CG2 ILE A 130 29.698 8.685 -4.440 1.00 0.06 C ATOM 762 CD1 ILE A 130 28.140 9.273 -0.973 1.00 0.13 C ATOM 0 H ILE A 130 30.503 11.132 -1.304 1.00 0.18 H new ATOM 0 HA ILE A 130 31.454 8.493 -2.189 1.00 0.19 H new ATOM 0 HB ILE A 130 29.323 10.390 -3.145 1.00 0.09 H new ATOM 0 HG12 ILE A 130 27.949 8.148 -2.777 1.00 0.10 H new ATOM 0 HG13 ILE A 130 29.318 7.689 -1.784 1.00 0.10 H new ATOM 0 HG21 ILE A 130 28.678 8.617 -4.819 1.00 0.06 H new ATOM 0 HG22 ILE A 130 30.304 9.270 -5.132 1.00 0.06 H new ATOM 0 HG23 ILE A 130 30.118 7.683 -4.347 1.00 0.06 H new ATOM 0 HD11 ILE A 130 27.504 8.585 -0.415 1.00 0.13 H new ATOM 0 HD12 ILE A 130 28.932 9.644 -0.322 1.00 0.13 H new ATOM 0 HD13 ILE A 130 27.542 10.111 -1.331 1.00 0.13 H new ATOM 774 N ASP A 131 32.283 11.287 -3.551 1.00 0.31 N ATOM 775 CA ASP A 131 33.254 11.941 -4.413 1.00 0.41 C ATOM 776 C ASP A 131 34.707 11.652 -4.018 1.00 0.65 C ATOM 777 O ASP A 131 35.578 11.459 -4.877 1.00 0.73 O ATOM 778 CB ASP A 131 32.871 13.431 -4.536 1.00 0.32 C ATOM 779 CG ASP A 131 33.031 14.192 -3.220 1.00 0.39 C ATOM 780 OD1 ASP A 131 34.055 14.019 -2.557 1.00 1.15 O ATOM 781 OD2 ASP A 131 32.129 14.953 -2.875 1.00 1.08 O ATOM 0 H ASP A 131 31.737 11.929 -2.977 1.00 0.31 H new ATOM 0 HA ASP A 131 33.213 11.516 -5.416 1.00 0.41 H new ATOM 0 HB2 ASP A 131 33.492 13.900 -5.300 1.00 0.32 H new ATOM 0 HB3 ASP A 131 31.837 13.510 -4.873 1.00 0.32 H new ATOM 786 N GLY A 132 34.877 11.468 -2.699 1.00 0.76 N ATOM 787 CA GLY A 132 36.237 11.261 -2.216 1.00 1.00 C ATOM 788 C GLY A 132 37.088 12.525 -2.192 1.00 0.97 C ATOM 789 O GLY A 132 38.113 12.610 -2.873 1.00 1.15 O ATOM 0 H GLY A 132 34.140 11.459 -1.994 1.00 0.76 H new ATOM 0 HA2 GLY A 132 36.194 10.846 -1.209 1.00 1.00 H new ATOM 0 HA3 GLY A 132 36.726 10.519 -2.847 1.00 1.00 H new ATOM 793 N ASP A 133 36.649 13.458 -1.333 1.00 0.75 N ATOM 794 CA ASP A 133 37.384 14.713 -1.134 1.00 0.73 C ATOM 795 C ASP A 133 37.866 14.928 0.319 1.00 0.44 C ATOM 796 O ASP A 133 38.676 15.812 0.613 1.00 0.36 O ATOM 797 CB ASP A 133 36.527 15.903 -1.667 1.00 0.86 C ATOM 798 CG ASP A 133 35.379 16.197 -0.719 1.00 1.64 C ATOM 799 OD1 ASP A 133 35.200 15.431 0.212 1.00 2.01 O ATOM 800 OD2 ASP A 133 34.680 17.187 -0.924 1.00 2.49 O ATOM 0 H ASP A 133 35.801 13.368 -0.773 1.00 0.75 H new ATOM 0 HA ASP A 133 38.306 14.655 -1.712 1.00 0.73 H new ATOM 0 HB2 ASP A 133 37.152 16.789 -1.776 1.00 0.86 H new ATOM 0 HB3 ASP A 133 36.137 15.664 -2.656 1.00 0.86 H new ATOM 805 N GLY A 134 37.359 14.057 1.223 1.00 0.31 N ATOM 806 CA GLY A 134 37.642 14.219 2.652 1.00 0.06 C ATOM 807 C GLY A 134 36.698 15.122 3.448 1.00 0.07 C ATOM 808 O GLY A 134 37.067 15.634 4.506 1.00 0.14 O ATOM 0 H GLY A 134 36.769 13.259 0.989 1.00 0.31 H new ATOM 0 HA2 GLY A 134 37.635 13.231 3.113 1.00 0.06 H new ATOM 0 HA3 GLY A 134 38.654 14.612 2.755 1.00 0.06 H new ATOM 812 N GLN A 135 35.485 15.308 2.899 1.00 0.08 N ATOM 813 CA GLN A 135 34.437 16.204 3.403 1.00 0.14 C ATOM 814 C GLN A 135 33.092 15.694 2.920 1.00 0.15 C ATOM 815 O GLN A 135 33.024 14.847 2.035 1.00 0.19 O ATOM 816 CB GLN A 135 34.634 17.636 2.893 1.00 0.20 C ATOM 817 CG GLN A 135 35.847 18.323 3.512 1.00 0.36 C ATOM 818 CD GLN A 135 36.167 19.604 2.786 1.00 0.49 C ATOM 819 OE1 GLN A 135 36.199 20.686 3.361 1.00 0.61 O ATOM 820 NE2 GLN A 135 36.515 19.447 1.501 1.00 1.71 N ATOM 0 H GLN A 135 35.198 14.814 2.054 1.00 0.08 H new ATOM 0 HA GLN A 135 34.485 16.217 4.492 1.00 0.14 H new ATOM 0 HB2 GLN A 135 34.746 17.618 1.809 1.00 0.20 H new ATOM 0 HB3 GLN A 135 33.740 18.221 3.111 1.00 0.20 H new ATOM 0 HG2 GLN A 135 35.653 18.535 4.563 1.00 0.36 H new ATOM 0 HG3 GLN A 135 36.707 17.654 3.475 1.00 0.36 H new ATOM 0 HE21 GLN A 135 36.470 18.524 1.070 1.00 1.71 H new ATOM 0 HE22 GLN A 135 36.825 20.251 0.955 1.00 1.71 H new ATOM 829 N VAL A 136 32.056 16.214 3.570 1.00 0.20 N ATOM 830 CA VAL A 136 30.742 15.747 3.177 1.00 0.21 C ATOM 831 C VAL A 136 29.990 16.918 2.590 1.00 0.30 C ATOM 832 O VAL A 136 29.809 17.946 3.238 1.00 0.35 O ATOM 833 CB VAL A 136 30.026 15.201 4.412 1.00 0.14 C ATOM 834 CG1 VAL A 136 28.605 14.773 4.062 1.00 0.12 C ATOM 835 CG2 VAL A 136 30.841 14.107 5.113 1.00 0.09 C ATOM 0 H VAL A 136 32.093 16.908 4.317 1.00 0.20 H new ATOM 0 HA VAL A 136 30.806 14.951 2.435 1.00 0.21 H new ATOM 0 HB VAL A 136 29.940 16.004 5.144 1.00 0.14 H new ATOM 0 HG11 VAL A 136 28.111 14.387 4.954 1.00 0.12 H new ATOM 0 HG12 VAL A 136 28.050 15.631 3.682 1.00 0.12 H new ATOM 0 HG13 VAL A 136 28.637 13.995 3.299 1.00 0.12 H new ATOM 0 HG21 VAL A 136 30.294 13.748 5.985 1.00 0.09 H new ATOM 0 HG22 VAL A 136 31.008 13.279 4.423 1.00 0.09 H new ATOM 0 HG23 VAL A 136 31.801 14.515 5.429 1.00 0.09 H new ATOM 845 N ASN A 137 29.571 16.756 1.352 1.00 0.35 N ATOM 846 CA ASN A 137 28.855 17.895 0.782 1.00 0.46 C ATOM 847 C ASN A 137 27.370 17.671 0.592 1.00 0.46 C ATOM 848 O ASN A 137 26.798 16.606 0.778 1.00 0.77 O ATOM 849 CB ASN A 137 29.514 18.395 -0.512 1.00 0.55 C ATOM 850 CG ASN A 137 29.745 17.229 -1.432 1.00 1.43 C ATOM 851 OD1 ASN A 137 28.906 16.869 -2.261 1.00 1.43 O ATOM 852 ND2 ASN A 137 30.887 16.614 -1.151 1.00 2.45 N ATOM 0 H ASN A 137 29.692 15.933 0.762 1.00 0.35 H new ATOM 0 HA ASN A 137 28.936 18.679 1.535 1.00 0.46 H new ATOM 0 HB2 ASN A 137 28.877 19.135 -0.996 1.00 0.55 H new ATOM 0 HB3 ASN A 137 30.460 18.888 -0.286 1.00 0.55 H new ATOM 0 HD21 ASN A 137 31.139 15.757 -1.643 1.00 2.45 H new ATOM 0 HD22 ASN A 137 31.513 16.999 -0.443 1.00 2.45 H new ATOM 859 N TYR A 138 26.682 18.758 0.189 1.00 0.42 N ATOM 860 CA TYR A 138 25.231 18.647 -0.069 1.00 0.38 C ATOM 861 C TYR A 138 24.866 17.731 -1.227 1.00 0.37 C ATOM 862 O TYR A 138 23.831 17.051 -1.273 1.00 0.31 O ATOM 863 CB TYR A 138 24.597 20.027 -0.321 1.00 0.43 C ATOM 864 CG TYR A 138 23.164 19.914 -0.824 1.00 0.33 C ATOM 865 CD1 TYR A 138 22.173 19.351 0.007 1.00 1.03 C ATOM 866 CD2 TYR A 138 22.860 20.360 -2.128 1.00 0.99 C ATOM 867 CE1 TYR A 138 20.849 19.281 -0.446 1.00 0.86 C ATOM 868 CE2 TYR A 138 21.536 20.286 -2.590 1.00 1.16 C ATOM 869 CZ TYR A 138 20.545 19.779 -1.726 1.00 0.40 C ATOM 870 OH TYR A 138 19.224 19.795 -2.129 1.00 20.00 O ATOM 0 H TYR A 138 27.084 19.684 0.040 1.00 0.42 H new ATOM 0 HA TYR A 138 24.831 18.199 0.841 1.00 0.38 H new ATOM 0 HB2 TYR A 138 24.612 20.607 0.602 1.00 0.43 H new ATOM 0 HB3 TYR A 138 25.195 20.573 -1.051 1.00 0.43 H new ATOM 0 HD1 TYR A 138 22.433 18.976 0.986 1.00 1.03 H new ATOM 0 HD2 TYR A 138 23.638 20.754 -2.765 1.00 0.99 H new ATOM 0 HE1 TYR A 138 20.077 18.853 0.176 1.00 0.86 H new ATOM 0 HE2 TYR A 138 21.282 20.611 -3.588 1.00 1.16 H new ATOM 0 HH TYR A 138 19.163 20.166 -3.034 1.00 20.00 H new ATOM 880 N GLU A 139 25.765 17.797 -2.210 1.00 0.47 N ATOM 881 CA GLU A 139 25.527 16.975 -3.394 1.00 0.48 C ATOM 882 C GLU A 139 25.540 15.528 -3.031 1.00 0.39 C ATOM 883 O GLU A 139 24.658 14.742 -3.361 1.00 0.35 O ATOM 884 CB GLU A 139 26.534 17.275 -4.508 1.00 0.52 C ATOM 885 CG GLU A 139 26.786 18.774 -4.725 1.00 1.36 C ATOM 886 CD GLU A 139 25.479 19.549 -4.606 1.00 1.39 C ATOM 887 OE1 GLU A 139 24.504 19.221 -5.296 1.00 0.77 O ATOM 888 OE2 GLU A 139 25.422 20.450 -3.772 1.00 2.90 O ATOM 0 H GLU A 139 26.609 18.370 -2.216 1.00 0.47 H new ATOM 0 HA GLU A 139 24.540 17.227 -3.782 1.00 0.48 H new ATOM 0 HB2 GLU A 139 27.480 16.787 -4.272 1.00 0.52 H new ATOM 0 HB3 GLU A 139 26.173 16.838 -5.439 1.00 0.52 H new ATOM 0 HG2 GLU A 139 27.503 19.140 -3.990 1.00 1.36 H new ATOM 0 HG3 GLU A 139 27.226 18.938 -5.709 1.00 1.36 H new ATOM 895 N GLU A 140 26.559 15.249 -2.225 1.00 0.40 N ATOM 896 CA GLU A 140 26.735 13.958 -1.590 1.00 0.34 C ATOM 897 C GLU A 140 25.627 13.586 -0.639 1.00 0.33 C ATOM 898 O GLU A 140 25.241 12.438 -0.535 1.00 0.31 O ATOM 899 CB GLU A 140 28.045 13.958 -0.864 1.00 0.37 C ATOM 900 CG GLU A 140 29.240 13.770 -1.786 1.00 1.00 C ATOM 901 CD GLU A 140 30.488 13.556 -0.937 1.00 1.49 C ATOM 902 OE1 GLU A 140 30.502 14.004 0.209 1.00 1.46 O ATOM 903 OE2 GLU A 140 31.429 12.940 -1.423 1.00 2.77 O ATOM 0 H GLU A 140 27.290 15.922 -1.995 1.00 0.40 H new ATOM 0 HA GLU A 140 26.714 13.207 -2.380 1.00 0.34 H new ATOM 0 HB2 GLU A 140 28.154 14.899 -0.325 1.00 0.37 H new ATOM 0 HB3 GLU A 140 28.040 13.162 -0.119 1.00 0.37 H new ATOM 0 HG2 GLU A 140 29.079 12.915 -2.442 1.00 1.00 H new ATOM 0 HG3 GLU A 140 29.364 14.644 -2.426 1.00 1.00 H new ATOM 910 N PHE A 141 25.031 14.599 -0.021 1.00 0.36 N ATOM 911 CA PHE A 141 23.833 14.324 0.777 1.00 0.36 C ATOM 912 C PHE A 141 22.721 13.677 -0.035 1.00 0.36 C ATOM 913 O PHE A 141 21.931 12.840 0.406 1.00 0.38 O ATOM 914 CB PHE A 141 23.332 15.644 1.347 1.00 0.37 C ATOM 915 CG PHE A 141 22.478 15.472 2.570 1.00 0.28 C ATOM 916 CD1 PHE A 141 23.121 15.454 3.823 1.00 0.35 C ATOM 917 CD2 PHE A 141 21.073 15.380 2.455 1.00 0.13 C ATOM 918 CE1 PHE A 141 22.347 15.391 4.993 1.00 0.27 C ATOM 919 CE2 PHE A 141 20.296 15.317 3.627 1.00 0.04 C ATOM 920 CZ PHE A 141 20.941 15.339 4.883 1.00 0.12 C ATOM 0 H PHE A 141 25.334 15.573 -0.049 1.00 0.36 H new ATOM 0 HA PHE A 141 24.104 13.620 1.564 1.00 0.36 H new ATOM 0 HB2 PHE A 141 24.187 16.274 1.594 1.00 0.37 H new ATOM 0 HB3 PHE A 141 22.759 16.169 0.582 1.00 0.37 H new ATOM 0 HD1 PHE A 141 24.199 15.488 3.883 1.00 0.35 H new ATOM 0 HD2 PHE A 141 20.602 15.358 1.483 1.00 0.13 H new ATOM 0 HE1 PHE A 141 22.821 15.382 5.963 1.00 0.27 H new ATOM 0 HE2 PHE A 141 19.220 15.253 3.566 1.00 0.04 H new ATOM 0 HZ PHE A 141 20.343 15.315 5.782 1.00 0.12 H new ATOM 930 N VAL A 142 22.648 14.171 -1.284 1.00 0.35 N ATOM 931 CA VAL A 142 21.797 13.511 -2.270 1.00 0.35 C ATOM 932 C VAL A 142 22.343 12.162 -2.692 1.00 0.34 C ATOM 933 O VAL A 142 21.611 11.184 -2.688 1.00 0.35 O ATOM 934 CB VAL A 142 21.563 14.433 -3.481 1.00 0.36 C ATOM 935 CG1 VAL A 142 20.635 13.828 -4.538 1.00 0.40 C ATOM 936 CG2 VAL A 142 21.058 15.802 -3.024 1.00 0.31 C ATOM 0 H VAL A 142 23.150 14.993 -1.619 1.00 0.35 H new ATOM 0 HA VAL A 142 20.835 13.316 -1.796 1.00 0.35 H new ATOM 0 HB VAL A 142 22.530 14.555 -3.968 1.00 0.36 H new ATOM 0 HG11 VAL A 142 20.515 14.531 -5.362 1.00 0.40 H new ATOM 0 HG12 VAL A 142 21.067 12.900 -4.913 1.00 0.40 H new ATOM 0 HG13 VAL A 142 19.662 13.621 -4.092 1.00 0.40 H new ATOM 0 HG21 VAL A 142 20.898 16.440 -3.893 1.00 0.31 H new ATOM 0 HG22 VAL A 142 20.118 15.682 -2.485 1.00 0.31 H new ATOM 0 HG23 VAL A 142 21.797 16.262 -2.368 1.00 0.31 H new ATOM 946 N GLN A 143 23.623 12.140 -3.050 1.00 0.31 N ATOM 947 CA GLN A 143 24.209 10.893 -3.528 1.00 0.27 C ATOM 948 C GLN A 143 24.123 9.730 -2.541 1.00 0.30 C ATOM 949 O GLN A 143 24.052 8.566 -2.921 1.00 0.31 O ATOM 950 CB GLN A 143 25.641 11.152 -3.999 1.00 0.25 C ATOM 951 CG GLN A 143 26.217 9.967 -4.775 1.00 0.22 C ATOM 952 CD GLN A 143 26.332 10.238 -6.264 1.00 0.40 C ATOM 953 OE1 GLN A 143 25.425 10.070 -7.089 1.00 0.82 O ATOM 954 NE2 GLN A 143 27.565 10.580 -6.629 1.00 1.57 N ATOM 0 H GLN A 143 24.255 12.940 -3.021 1.00 0.31 H new ATOM 0 HA GLN A 143 23.604 10.560 -4.371 1.00 0.27 H new ATOM 0 HB2 GLN A 143 25.659 12.041 -4.630 1.00 0.25 H new ATOM 0 HB3 GLN A 143 26.273 11.361 -3.136 1.00 0.25 H new ATOM 0 HG2 GLN A 143 27.202 9.723 -4.378 1.00 0.22 H new ATOM 0 HG3 GLN A 143 25.584 9.093 -4.617 1.00 0.22 H new ATOM 0 HE21 GLN A 143 28.289 10.710 -5.922 1.00 1.57 H new ATOM 0 HE22 GLN A 143 27.787 10.712 -7.616 1.00 1.57 H new ATOM 963 N MET A 144 24.066 10.096 -1.260 1.00 0.32 N ATOM 964 CA MET A 144 23.981 9.070 -0.232 1.00 0.34 C ATOM 965 C MET A 144 22.581 8.493 -0.131 1.00 0.34 C ATOM 966 O MET A 144 22.352 7.288 -0.152 1.00 0.38 O ATOM 967 CB MET A 144 24.471 9.658 1.090 1.00 0.33 C ATOM 968 CG MET A 144 24.344 8.724 2.293 1.00 0.35 C ATOM 969 SD MET A 144 24.992 9.443 3.811 1.00 0.27 S ATOM 970 CE MET A 144 24.619 11.180 3.497 1.00 0.79 C ATOM 0 H MET A 144 24.077 11.058 -0.922 1.00 0.32 H new ATOM 0 HA MET A 144 24.623 8.231 -0.498 1.00 0.34 H new ATOM 0 HB2 MET A 144 25.517 9.944 0.979 1.00 0.33 H new ATOM 0 HB3 MET A 144 23.911 10.570 1.295 1.00 0.33 H new ATOM 0 HG2 MET A 144 23.295 8.467 2.438 1.00 0.35 H new ATOM 0 HG3 MET A 144 24.873 7.795 2.082 1.00 0.35 H new ATOM 0 HE1 MET A 144 24.737 11.750 4.419 1.00 0.79 H new ATOM 0 HE2 MET A 144 25.302 11.568 2.741 1.00 0.79 H new ATOM 0 HE3 MET A 144 23.593 11.273 3.141 1.00 0.79 H new ATOM 980 N MET A 145 21.606 9.411 -0.043 1.00 0.31 N ATOM 981 CA MET A 145 20.240 8.887 0.047 1.00 0.31 C ATOM 982 C MET A 145 19.663 8.402 -1.265 1.00 0.35 C ATOM 983 O MET A 145 19.149 7.300 -1.404 1.00 0.36 O ATOM 984 CB MET A 145 19.334 9.932 0.681 1.00 0.29 C ATOM 985 CG MET A 145 19.850 10.221 2.081 1.00 0.26 C ATOM 986 SD MET A 145 19.300 11.791 2.728 1.00 0.24 S ATOM 987 CE MET A 145 20.665 11.948 3.885 1.00 0.19 C ATOM 0 H MET A 145 21.718 10.425 -0.032 1.00 0.31 H new ATOM 0 HA MET A 145 20.295 7.998 0.675 1.00 0.31 H new ATOM 0 HB2 MET A 145 19.328 10.843 0.083 1.00 0.29 H new ATOM 0 HB3 MET A 145 18.307 9.570 0.722 1.00 0.29 H new ATOM 0 HG2 MET A 145 19.525 9.426 2.752 1.00 0.26 H new ATOM 0 HG3 MET A 145 20.940 10.203 2.070 1.00 0.26 H new ATOM 0 HE1 MET A 145 20.334 12.499 4.765 1.00 0.19 H new ATOM 0 HE2 MET A 145 21.004 10.956 4.184 1.00 0.19 H new ATOM 0 HE3 MET A 145 21.486 12.484 3.409 1.00 0.19 H new ATOM 997 N THR A 146 19.747 9.305 -2.238 1.00 0.40 N ATOM 998 CA THR A 146 19.342 8.965 -3.594 1.00 0.46 C ATOM 999 C THR A 146 20.102 7.781 -4.152 1.00 0.56 C ATOM 1000 O THR A 146 19.490 6.827 -4.614 1.00 0.82 O ATOM 1001 CB THR A 146 19.506 10.189 -4.498 1.00 0.40 C ATOM 1002 OG1 THR A 146 18.852 11.326 -3.907 1.00 0.52 O ATOM 1003 CG2 THR A 146 19.026 9.966 -5.936 1.00 0.42 C ATOM 0 H THR A 146 20.085 10.259 -2.115 1.00 0.40 H new ATOM 0 HA THR A 146 18.294 8.668 -3.561 1.00 0.46 H new ATOM 0 HB THR A 146 20.577 10.379 -4.575 1.00 0.40 H new ATOM 0 HG1 THR A 146 18.400 11.843 -4.606 1.00 0.52 H new ATOM 0 HG21 THR A 146 19.175 10.878 -6.515 1.00 0.42 H new ATOM 0 HG22 THR A 146 19.594 9.153 -6.387 1.00 0.42 H new ATOM 0 HG23 THR A 146 17.967 9.709 -5.930 1.00 0.42 H new ATOM 1011 N ALA A 147 21.436 7.891 -4.093 1.00 0.46 N ATOM 1012 CA ALA A 147 22.292 6.850 -4.655 1.00 0.53 C ATOM 1013 C ALA A 147 21.995 6.604 -6.129 1.00 0.74 C ATOM 1014 O ALA A 147 21.280 7.371 -6.777 1.00 1.28 O ATOM 1015 CB ALA A 147 22.206 5.562 -3.818 1.00 1.25 C ATOM 0 H ALA A 147 21.933 8.675 -3.670 1.00 0.46 H new ATOM 0 HA ALA A 147 23.323 7.202 -4.608 1.00 0.53 H new ATOM 0 HB1 ALA A 147 22.852 4.800 -4.255 1.00 1.25 H new ATOM 0 HB2 ALA A 147 22.528 5.769 -2.798 1.00 1.25 H new ATOM 0 HB3 ALA A 147 21.177 5.203 -3.808 1.00 1.25 H new ATOM 1021 N LYS A 148 22.568 5.506 -6.661 1.00 0.73 N ATOM 1022 CA LYS A 148 22.411 5.179 -8.078 1.00 1.42 C ATOM 1023 C LYS A 148 22.823 3.747 -8.385 1.00 1.99 C ATOM 1024 O LYS A 148 23.273 3.054 -7.478 1.00 20.00 O ATOM 1025 CB LYS A 148 23.265 6.126 -8.918 1.00 1.41 C ATOM 1026 CG LYS A 148 22.499 7.253 -9.612 1.00 1.57 C ATOM 1027 CD LYS A 148 23.309 8.542 -9.802 1.00 0.54 C ATOM 1028 CE LYS A 148 24.647 8.400 -10.538 1.00 1.53 C ATOM 1029 NZ LYS A 148 25.693 7.901 -9.637 1.00 2.26 N ATOM 1030 OXT LYS A 148 22.723 3.330 -9.539 1.00 20.00 O ATOM 0 H LYS A 148 23.135 4.843 -6.133 1.00 0.73 H new ATOM 0 HA LYS A 148 21.354 5.289 -8.322 1.00 1.42 H new ATOM 0 HB2 LYS A 148 24.027 6.568 -8.276 1.00 1.41 H new ATOM 0 HB3 LYS A 148 23.787 5.542 -9.677 1.00 1.41 H new ATOM 0 HG2 LYS A 148 22.163 6.901 -10.588 1.00 1.57 H new ATOM 0 HG3 LYS A 148 21.606 7.481 -9.031 1.00 1.57 H new ATOM 0 HD2 LYS A 148 22.692 9.257 -10.347 1.00 0.54 H new ATOM 0 HD3 LYS A 148 23.503 8.973 -8.820 1.00 0.54 H new ATOM 0 HE2 LYS A 148 24.532 7.718 -11.380 1.00 1.53 H new ATOM 0 HE3 LYS A 148 24.945 9.365 -10.948 1.00 1.53 H new ATOM 0 HZ1 LYS A 148 26.610 8.311 -9.908 1.00 2.26 H new ATOM 0 HZ2 LYS A 148 25.468 8.174 -8.659 1.00 2.26 H new ATOM 0 HZ3 LYS A 148 25.744 6.864 -9.704 1.00 2.26 H new TER 1044 LYS A 148 HETATM 1045 CA CA A 992 28.084 22.836 8.200 1.00 1.00 CA HETATM 1046 CA CA A 993 32.880 14.783 -0.424 1.00 1.00 CA HETATM 1047 F1 HLT A 150 24.213 8.661 9.521 1.00 0.00 F HETATM 1048 C2 HLT A 150 23.440 8.105 8.534 1.00 64.50 C HETATM 1049 F2 HLT A 150 24.024 6.944 8.095 1.00 0.00 F HETATM 1050 F3 HLT A 150 22.193 7.830 9.031 1.00 0.00 F HETATM 1051 C1 HLT A 150 23.319 9.086 7.367 1.00 63.73 C HETATM 1052 BR HLT A 150 22.547 10.596 7.919 1.00 0.00 BR HETATM 1053 CL HLT A 150 24.934 9.432 6.694 1.00 0.00 CL