USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 462 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 MET CE :methyl 180:sc= -0.0195 (180deg=-0.0195) USER MOD Set 1.2: A 144 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -115:sc= -5.51! (180deg=-9.72!) USER MOD Set 2.2: A 107 HIS : no HD1:sc= -0.0744 K(o=-5.6,f=-6.7) USER MOD Single : A 97 ASN : amide:sc= -3.61! C(o=-3.6!,f=-16!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -166:sc= -0.148 (180deg=-0.62) USER MOD Single : A 110 THR OG1 : rot -112:sc= 0.729 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 158:sc= -0.25 (180deg=-1.18) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.091 USER MOD Single : A 135 GLN :FLIP amide:sc= -0.0152 F(o=-1.5!,f=-0.015) USER MOD Single : A 137 ASN : amide:sc= -5.54! C(o=-5.5!,f=-7.1!) USER MOD Single : A 143 GLN : amide:sc= -0.449 K(o=-0.45,f=-2.3!) USER MOD Single : A 145 MET CE :methyl -162:sc= -5.39! (180deg=-6.45!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 84 36.514 -2.072 23.306 1.00 1.00 N ATOM 31 CA GLU A 84 36.050 -2.187 24.716 1.00 1.00 C ATOM 32 C GLU A 84 35.039 -3.327 24.804 1.00 1.00 C ATOM 33 O GLU A 84 35.069 -4.130 25.716 1.00 1.00 O ATOM 34 CB GLU A 84 35.368 -0.868 25.127 1.00 1.00 C ATOM 35 CG GLU A 84 36.411 0.131 25.641 1.00 1.00 C ATOM 36 CD GLU A 84 35.706 1.402 26.118 1.00 1.00 C ATOM 37 OE1 GLU A 84 34.507 1.500 25.920 1.00 1.00 O ATOM 38 OE2 GLU A 84 36.378 2.255 26.674 1.00 1.00 O ATOM 0 HA GLU A 84 36.893 -2.385 25.378 1.00 1.00 H new ATOM 0 HB2 GLU A 84 34.837 -0.444 24.275 1.00 1.00 H new ATOM 0 HB3 GLU A 84 34.626 -1.060 25.902 1.00 1.00 H new ATOM 0 HG2 GLU A 84 36.981 -0.310 26.458 1.00 1.00 H new ATOM 0 HG3 GLU A 84 37.121 0.371 24.850 1.00 1.00 H new ATOM 45 N ILE A 85 34.140 -3.404 23.863 1.00 1.00 N ATOM 46 CA ILE A 85 33.127 -4.492 23.898 1.00 1.00 C ATOM 47 C ILE A 85 33.808 -5.834 23.620 1.00 1.00 C ATOM 48 O ILE A 85 33.542 -6.820 24.278 1.00 1.00 O ATOM 49 CB ILE A 85 32.050 -4.230 22.845 1.00 1.00 C ATOM 50 CG1 ILE A 85 31.425 -2.854 23.091 1.00 1.00 C ATOM 51 CG2 ILE A 85 30.967 -5.308 22.946 1.00 1.00 C ATOM 52 CD1 ILE A 85 30.542 -2.471 21.901 1.00 1.00 C ATOM 0 H ILE A 85 34.064 -2.762 23.074 1.00 1.00 H new ATOM 0 HA ILE A 85 32.662 -4.521 24.883 1.00 1.00 H new ATOM 0 HB ILE A 85 32.496 -4.255 21.851 1.00 1.00 H new ATOM 0 HG12 ILE A 85 30.833 -2.871 24.006 1.00 1.00 H new ATOM 0 HG13 ILE A 85 32.207 -2.108 23.231 1.00 1.00 H new ATOM 0 HG21 ILE A 85 30.198 -5.123 22.196 1.00 1.00 H new ATOM 0 HG22 ILE A 85 31.412 -6.288 22.775 1.00 1.00 H new ATOM 0 HG23 ILE A 85 30.519 -5.281 23.939 1.00 1.00 H new ATOM 0 HD11 ILE A 85 30.098 -1.491 22.078 1.00 1.00 H new ATOM 0 HD12 ILE A 85 31.147 -2.437 20.995 1.00 1.00 H new ATOM 0 HD13 ILE A 85 29.751 -3.212 21.781 1.00 1.00 H new ATOM 64 N ARG A 86 34.688 -5.883 22.656 1.00 1.00 N ATOM 65 CA ARG A 86 35.384 -7.165 22.350 1.00 1.00 C ATOM 66 C ARG A 86 36.256 -7.563 23.537 1.00 1.00 C ATOM 67 O ARG A 86 36.187 -8.679 24.014 1.00 1.00 O ATOM 68 CB ARG A 86 36.258 -6.992 21.106 1.00 1.00 C ATOM 69 CG ARG A 86 36.905 -8.337 20.748 1.00 1.00 C ATOM 70 CD ARG A 86 37.699 -8.223 19.426 1.00 1.00 C ATOM 71 NE ARG A 86 37.427 -9.419 18.564 1.00 1.00 N ATOM 72 CZ ARG A 86 37.460 -10.632 19.052 1.00 1.00 C ATOM 73 NH1 ARG A 86 37.851 -10.843 20.278 1.00 1.00 N ATOM 74 NH2 ARG A 86 37.133 -11.644 18.295 1.00 1.00 N ATOM 0 H ARG A 86 34.954 -5.093 22.069 1.00 1.00 H new ATOM 0 HA ARG A 86 34.645 -7.944 22.164 1.00 1.00 H new ATOM 0 HB2 ARG A 86 35.656 -6.632 20.272 1.00 1.00 H new ATOM 0 HB3 ARG A 86 37.028 -6.243 21.290 1.00 1.00 H new ATOM 0 HG2 ARG A 86 37.570 -8.653 21.552 1.00 1.00 H new ATOM 0 HG3 ARG A 86 36.135 -9.103 20.652 1.00 1.00 H new ATOM 0 HD2 ARG A 86 37.416 -7.312 18.899 1.00 1.00 H new ATOM 0 HD3 ARG A 86 38.766 -8.151 19.637 1.00 1.00 H new ATOM 0 HE ARG A 86 37.212 -9.284 17.576 1.00 1.00 H new ATOM 0 HH11 ARG A 86 38.134 -10.059 20.865 1.00 1.00 H new ATOM 0 HH12 ARG A 86 37.873 -11.793 20.650 1.00 1.00 H new ATOM 0 HH21 ARG A 86 36.853 -11.487 17.327 1.00 1.00 H new ATOM 0 HH22 ARG A 86 37.157 -12.592 18.672 1.00 1.00 H new ATOM 88 N GLU A 87 37.072 -6.673 24.031 1.00 1.00 N ATOM 89 CA GLU A 87 37.929 -7.032 25.194 1.00 1.00 C ATOM 90 C GLU A 87 37.024 -7.466 26.344 1.00 1.00 C ATOM 91 O GLU A 87 37.258 -8.466 26.991 1.00 1.00 O ATOM 92 CB GLU A 87 38.762 -5.820 25.619 1.00 1.00 C ATOM 93 CG GLU A 87 39.791 -5.499 24.534 1.00 1.00 C ATOM 94 CD GLU A 87 40.831 -6.619 24.467 1.00 1.00 C ATOM 95 OE1 GLU A 87 40.901 -7.392 25.408 1.00 1.00 O ATOM 96 OE2 GLU A 87 41.539 -6.686 23.476 1.00 1.00 O ATOM 0 H GLU A 87 37.182 -5.721 23.683 1.00 1.00 H new ATOM 0 HA GLU A 87 38.605 -7.843 24.923 1.00 1.00 H new ATOM 0 HB2 GLU A 87 38.113 -4.960 25.785 1.00 1.00 H new ATOM 0 HB3 GLU A 87 39.266 -6.026 26.563 1.00 1.00 H new ATOM 0 HG2 GLU A 87 39.296 -5.391 23.569 1.00 1.00 H new ATOM 0 HG3 GLU A 87 40.279 -4.548 24.751 1.00 1.00 H new ATOM 103 N ALA A 88 35.976 -6.729 26.587 1.00 1.00 N ATOM 104 CA ALA A 88 35.042 -7.110 27.678 1.00 1.00 C ATOM 105 C ALA A 88 34.451 -8.480 27.348 1.00 1.00 C ATOM 106 O ALA A 88 34.319 -9.330 28.206 1.00 1.00 O ATOM 107 CB ALA A 88 33.928 -6.062 27.781 1.00 1.00 C ATOM 0 H ALA A 88 35.728 -5.881 26.077 1.00 1.00 H new ATOM 0 HA ALA A 88 35.566 -7.157 28.633 1.00 1.00 H new ATOM 0 HB1 ALA A 88 33.241 -6.339 28.581 1.00 1.00 H new ATOM 0 HB2 ALA A 88 34.364 -5.087 27.999 1.00 1.00 H new ATOM 0 HB3 ALA A 88 33.385 -6.014 26.837 1.00 1.00 H new ATOM 113 N PHE A 89 34.100 -8.711 26.113 1.00 1.00 N ATOM 114 CA PHE A 89 33.529 -10.033 25.736 1.00 1.00 C ATOM 115 C PHE A 89 34.575 -11.122 25.977 1.00 1.00 C ATOM 116 O PHE A 89 34.261 -12.194 26.455 1.00 1.00 O ATOM 117 CB PHE A 89 33.137 -10.013 24.258 1.00 1.00 C ATOM 118 CG PHE A 89 32.303 -11.229 23.939 1.00 1.00 C ATOM 119 CD1 PHE A 89 32.924 -12.419 23.541 1.00 1.00 C ATOM 120 CD2 PHE A 89 30.908 -11.167 24.042 1.00 1.00 C ATOM 121 CE1 PHE A 89 32.149 -13.546 23.245 1.00 1.00 C ATOM 122 CE2 PHE A 89 30.134 -12.294 23.745 1.00 1.00 C ATOM 123 CZ PHE A 89 30.755 -13.483 23.347 1.00 1.00 C ATOM 0 H PHE A 89 34.184 -8.041 25.349 1.00 1.00 H new ATOM 0 HA PHE A 89 32.646 -10.239 26.341 1.00 1.00 H new ATOM 0 HB2 PHE A 89 32.577 -9.106 24.032 1.00 1.00 H new ATOM 0 HB3 PHE A 89 34.031 -9.999 23.634 1.00 1.00 H new ATOM 0 HD1 PHE A 89 34.000 -12.467 23.462 1.00 1.00 H new ATOM 0 HD2 PHE A 89 30.430 -10.249 24.351 1.00 1.00 H new ATOM 0 HE1 PHE A 89 32.627 -14.464 22.938 1.00 1.00 H new ATOM 0 HE2 PHE A 89 29.058 -12.246 23.823 1.00 1.00 H new ATOM 0 HZ PHE A 89 30.158 -14.353 23.118 1.00 1.00 H new ATOM 133 N ARG A 90 35.816 -10.864 25.665 1.00 1.00 N ATOM 134 CA ARG A 90 36.869 -11.895 25.895 1.00 1.00 C ATOM 135 C ARG A 90 37.085 -12.059 27.401 1.00 1.00 C ATOM 136 O ARG A 90 37.400 -13.131 27.877 1.00 1.00 O ATOM 137 CB ARG A 90 38.176 -11.450 25.227 1.00 1.00 C ATOM 138 CG ARG A 90 39.204 -12.597 25.259 1.00 1.00 C ATOM 139 CD ARG A 90 38.923 -13.615 24.127 1.00 1.00 C ATOM 140 NE ARG A 90 38.986 -15.012 24.668 1.00 1.00 N ATOM 141 CZ ARG A 90 39.974 -15.400 25.432 1.00 1.00 C ATOM 142 NH1 ARG A 90 40.985 -14.608 25.659 1.00 1.00 N ATOM 143 NH2 ARG A 90 39.962 -16.598 25.950 1.00 1.00 N ATOM 0 H ARG A 90 36.146 -9.987 25.262 1.00 1.00 H new ATOM 0 HA ARG A 90 36.556 -12.847 25.466 1.00 1.00 H new ATOM 0 HB2 ARG A 90 37.984 -11.152 24.196 1.00 1.00 H new ATOM 0 HB3 ARG A 90 38.578 -10.577 25.741 1.00 1.00 H new ATOM 0 HG2 ARG A 90 40.211 -12.193 25.150 1.00 1.00 H new ATOM 0 HG3 ARG A 90 39.165 -13.100 26.225 1.00 1.00 H new ATOM 0 HD2 ARG A 90 37.941 -13.428 23.694 1.00 1.00 H new ATOM 0 HD3 ARG A 90 39.653 -13.493 23.327 1.00 1.00 H new ATOM 0 HE ARG A 90 38.244 -15.672 24.436 1.00 1.00 H new ATOM 0 HH11 ARG A 90 41.009 -13.679 25.240 1.00 1.00 H new ATOM 0 HH12 ARG A 90 41.752 -14.918 26.256 1.00 1.00 H new ATOM 0 HH21 ARG A 90 39.184 -17.229 25.759 1.00 1.00 H new ATOM 0 HH22 ARG A 90 40.731 -16.904 26.546 1.00 1.00 H new ATOM 157 N VAL A 91 36.931 -11.006 28.153 1.00 1.00 N ATOM 158 CA VAL A 91 37.140 -11.106 29.626 1.00 1.00 C ATOM 159 C VAL A 91 36.077 -12.021 30.242 1.00 1.00 C ATOM 160 O VAL A 91 36.349 -12.764 31.164 1.00 1.00 O ATOM 161 CB VAL A 91 37.062 -9.702 30.245 1.00 1.00 C ATOM 162 CG1 VAL A 91 36.936 -9.799 31.770 1.00 1.00 C ATOM 163 CG2 VAL A 91 38.335 -8.927 29.894 1.00 1.00 C ATOM 0 H VAL A 91 36.670 -10.081 27.813 1.00 1.00 H new ATOM 0 HA VAL A 91 38.123 -11.532 29.829 1.00 1.00 H new ATOM 0 HB VAL A 91 36.187 -9.187 29.849 1.00 1.00 H new ATOM 0 HG11 VAL A 91 36.882 -8.797 32.195 1.00 1.00 H new ATOM 0 HG12 VAL A 91 36.032 -10.351 32.026 1.00 1.00 H new ATOM 0 HG13 VAL A 91 37.805 -10.318 32.175 1.00 1.00 H new ATOM 0 HG21 VAL A 91 38.286 -7.929 30.331 1.00 1.00 H new ATOM 0 HG22 VAL A 91 39.203 -9.454 30.290 1.00 1.00 H new ATOM 0 HG23 VAL A 91 38.424 -8.845 28.811 1.00 1.00 H new ATOM 173 N PHE A 92 34.870 -11.978 29.748 1.00 1.00 N ATOM 174 CA PHE A 92 33.806 -12.852 30.319 1.00 1.00 C ATOM 175 C PHE A 92 33.950 -14.269 29.759 1.00 1.00 C ATOM 176 O PHE A 92 33.560 -15.234 30.384 1.00 1.00 O ATOM 177 CB PHE A 92 32.430 -12.282 29.960 1.00 1.00 C ATOM 178 CG PHE A 92 32.435 -10.771 30.108 1.00 1.00 C ATOM 179 CD1 PHE A 92 33.075 -10.154 31.198 1.00 1.00 C ATOM 180 CD2 PHE A 92 31.791 -9.982 29.147 1.00 1.00 C ATOM 181 CE1 PHE A 92 33.066 -8.760 31.319 1.00 1.00 C ATOM 182 CE2 PHE A 92 31.785 -8.589 29.272 1.00 1.00 C ATOM 183 CZ PHE A 92 32.422 -7.978 30.358 1.00 1.00 C ATOM 0 H PHE A 92 34.575 -11.378 28.977 1.00 1.00 H new ATOM 0 HA PHE A 92 33.906 -12.888 31.404 1.00 1.00 H new ATOM 0 HB2 PHE A 92 32.171 -12.554 28.937 1.00 1.00 H new ATOM 0 HB3 PHE A 92 31.668 -12.716 30.608 1.00 1.00 H new ATOM 0 HD1 PHE A 92 33.574 -10.757 31.942 1.00 1.00 H new ATOM 0 HD2 PHE A 92 31.298 -10.450 28.308 1.00 1.00 H new ATOM 0 HE1 PHE A 92 33.558 -8.288 32.157 1.00 1.00 H new ATOM 0 HE2 PHE A 92 31.288 -7.983 28.529 1.00 1.00 H new ATOM 0 HZ PHE A 92 32.415 -6.902 30.453 1.00 1.00 H new ATOM 193 N ASP A 93 34.523 -14.406 28.597 1.00 1.00 N ATOM 194 CA ASP A 93 34.709 -15.766 28.020 1.00 1.00 C ATOM 195 C ASP A 93 35.927 -16.410 28.677 1.00 1.00 C ATOM 196 O ASP A 93 36.987 -16.519 28.094 1.00 1.00 O ATOM 197 CB ASP A 93 34.930 -15.656 26.513 1.00 1.00 C ATOM 198 CG ASP A 93 34.906 -17.052 25.895 1.00 1.00 C ATOM 199 OD1 ASP A 93 34.557 -17.985 26.599 1.00 1.00 O ATOM 200 OD2 ASP A 93 35.237 -17.162 24.729 1.00 1.00 O ATOM 0 H ASP A 93 34.870 -13.638 28.023 1.00 1.00 H new ATOM 0 HA ASP A 93 33.824 -16.376 28.203 1.00 1.00 H new ATOM 0 HB2 ASP A 93 34.155 -15.034 26.065 1.00 1.00 H new ATOM 0 HB3 ASP A 93 35.885 -15.172 26.308 1.00 1.00 H new ATOM 205 N LYS A 94 35.770 -16.824 29.904 1.00 1.00 N ATOM 206 CA LYS A 94 36.898 -17.455 30.647 1.00 1.00 C ATOM 207 C LYS A 94 37.483 -18.633 29.853 1.00 1.00 C ATOM 208 O LYS A 94 38.677 -18.858 29.854 1.00 1.00 O ATOM 209 CB LYS A 94 36.385 -17.975 32.001 1.00 1.00 C ATOM 210 CG LYS A 94 36.265 -16.822 33.005 1.00 1.00 C ATOM 211 CD LYS A 94 35.144 -15.871 32.577 1.00 1.00 C ATOM 212 CE LYS A 94 34.784 -14.943 33.741 1.00 1.00 C ATOM 213 NZ LYS A 94 33.557 -14.171 33.398 1.00 1.00 N ATOM 0 H LYS A 94 34.899 -16.751 30.429 1.00 1.00 H new ATOM 0 HA LYS A 94 37.677 -16.707 30.795 1.00 1.00 H new ATOM 0 HB2 LYS A 94 35.415 -18.454 31.870 1.00 1.00 H new ATOM 0 HB3 LYS A 94 37.065 -18.734 32.388 1.00 1.00 H new ATOM 0 HG2 LYS A 94 36.059 -17.215 34.001 1.00 1.00 H new ATOM 0 HG3 LYS A 94 37.209 -16.281 33.065 1.00 1.00 H new ATOM 0 HD2 LYS A 94 35.461 -15.284 31.715 1.00 1.00 H new ATOM 0 HD3 LYS A 94 34.268 -16.441 32.269 1.00 1.00 H new ATOM 0 HE2 LYS A 94 34.619 -15.526 34.647 1.00 1.00 H new ATOM 0 HE3 LYS A 94 35.610 -14.262 33.946 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 33.791 -13.160 33.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 33.182 -14.502 32.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 32.840 -14.312 34.138 1.00 1.00 H new ATOM 227 N ASP A 95 36.649 -19.406 29.203 1.00 1.00 N ATOM 228 CA ASP A 95 37.160 -20.590 28.442 1.00 1.00 C ATOM 229 C ASP A 95 37.540 -20.198 27.007 1.00 1.00 C ATOM 230 O ASP A 95 38.069 -20.997 26.260 1.00 1.00 O ATOM 231 CB ASP A 95 36.078 -21.670 28.407 1.00 1.00 C ATOM 232 CG ASP A 95 34.796 -21.079 27.814 1.00 1.00 C ATOM 233 OD1 ASP A 95 34.900 -20.337 26.851 1.00 1.00 O ATOM 234 OD2 ASP A 95 33.732 -21.374 28.334 1.00 1.00 O ATOM 0 H ASP A 95 35.639 -19.270 29.166 1.00 1.00 H new ATOM 0 HA ASP A 95 38.052 -20.968 28.942 1.00 1.00 H new ATOM 0 HB2 ASP A 95 36.413 -22.518 27.809 1.00 1.00 H new ATOM 0 HB3 ASP A 95 35.889 -22.045 29.413 1.00 1.00 H new ATOM 239 N GLY A 96 37.291 -18.980 26.616 1.00 1.00 N ATOM 240 CA GLY A 96 37.660 -18.560 25.232 1.00 1.00 C ATOM 241 C GLY A 96 36.791 -19.297 24.206 1.00 1.00 C ATOM 242 O GLY A 96 37.167 -19.457 23.061 1.00 1.00 O ATOM 0 H GLY A 96 36.851 -18.260 27.189 1.00 1.00 H new ATOM 0 HA2 GLY A 96 37.529 -17.483 25.124 1.00 1.00 H new ATOM 0 HA3 GLY A 96 38.713 -18.773 25.048 1.00 1.00 H new ATOM 246 N ASN A 97 35.640 -19.760 24.612 1.00 1.00 N ATOM 247 CA ASN A 97 34.750 -20.505 23.672 1.00 1.00 C ATOM 248 C ASN A 97 34.038 -19.541 22.722 1.00 1.00 C ATOM 249 O ASN A 97 33.325 -19.961 21.833 1.00 1.00 O ATOM 250 CB ASN A 97 33.707 -21.288 24.475 1.00 1.00 C ATOM 251 CG ASN A 97 32.747 -20.315 25.163 1.00 1.00 C ATOM 252 OD1 ASN A 97 33.006 -19.129 25.226 1.00 1.00 O ATOM 253 ND2 ASN A 97 31.641 -20.769 25.686 1.00 1.00 N ATOM 0 H ASN A 97 35.275 -19.654 25.559 1.00 1.00 H new ATOM 0 HA ASN A 97 35.360 -21.189 23.082 1.00 1.00 H new ATOM 0 HB2 ASN A 97 33.152 -21.955 23.815 1.00 1.00 H new ATOM 0 HB3 ASN A 97 34.201 -21.913 25.219 1.00 1.00 H new ATOM 0 HD21 ASN A 97 30.995 -20.129 26.147 1.00 1.00 H new ATOM 0 HD22 ASN A 97 31.423 -21.764 25.634 1.00 1.00 H new ATOM 260 N GLY A 98 34.226 -18.261 22.872 1.00 1.00 N ATOM 261 CA GLY A 98 33.563 -17.301 21.947 1.00 1.00 C ATOM 262 C GLY A 98 32.102 -17.095 22.345 1.00 1.00 C ATOM 263 O GLY A 98 31.358 -16.422 21.660 1.00 1.00 O ATOM 0 H GLY A 98 34.809 -17.838 23.594 1.00 1.00 H new ATOM 0 HA2 GLY A 98 34.089 -16.347 21.966 1.00 1.00 H new ATOM 0 HA3 GLY A 98 33.618 -17.675 20.925 1.00 1.00 H new ATOM 267 N TYR A 99 31.681 -17.670 23.445 1.00 1.00 N ATOM 268 CA TYR A 99 30.259 -17.508 23.885 1.00 1.00 C ATOM 269 C TYR A 99 30.204 -17.315 25.402 1.00 1.00 C ATOM 270 O TYR A 99 30.905 -17.971 26.147 1.00 1.00 O ATOM 271 CB TYR A 99 29.464 -18.759 23.508 1.00 1.00 C ATOM 272 CG TYR A 99 29.752 -19.123 22.072 1.00 1.00 C ATOM 273 CD1 TYR A 99 29.091 -18.455 21.035 1.00 1.00 C ATOM 274 CD2 TYR A 99 30.681 -20.129 21.777 1.00 1.00 C ATOM 275 CE1 TYR A 99 29.358 -18.792 19.703 1.00 1.00 C ATOM 276 CE2 TYR A 99 30.948 -20.465 20.445 1.00 1.00 C ATOM 277 CZ TYR A 99 30.286 -19.797 19.408 1.00 1.00 C ATOM 0 H TYR A 99 32.260 -18.244 24.057 1.00 1.00 H new ATOM 0 HA TYR A 99 29.829 -16.635 23.393 1.00 1.00 H new ATOM 0 HB2 TYR A 99 29.733 -19.586 24.165 1.00 1.00 H new ATOM 0 HB3 TYR A 99 28.397 -18.579 23.642 1.00 1.00 H new ATOM 0 HD1 TYR A 99 28.375 -17.679 21.263 1.00 1.00 H new ATOM 0 HD2 TYR A 99 31.191 -20.645 22.577 1.00 1.00 H new ATOM 0 HE1 TYR A 99 28.848 -18.276 18.903 1.00 1.00 H new ATOM 0 HE2 TYR A 99 31.665 -21.240 20.217 1.00 1.00 H new ATOM 286 N ILE A 100 29.368 -16.422 25.864 1.00 1.00 N ATOM 287 CA ILE A 100 29.259 -16.188 27.336 1.00 1.00 C ATOM 288 C ILE A 100 28.088 -17.001 27.885 1.00 1.00 C ATOM 289 O ILE A 100 26.959 -16.861 27.455 1.00 1.00 O ATOM 290 CB ILE A 100 29.026 -14.701 27.607 1.00 1.00 C ATOM 291 CG1 ILE A 100 30.150 -13.883 26.966 1.00 1.00 C ATOM 292 CG2 ILE A 100 29.014 -14.453 29.116 1.00 1.00 C ATOM 293 CD1 ILE A 100 29.783 -12.399 27.001 1.00 1.00 C ATOM 0 H ILE A 100 28.756 -15.845 25.287 1.00 1.00 H new ATOM 0 HA ILE A 100 30.182 -16.497 27.825 1.00 1.00 H new ATOM 0 HB ILE A 100 28.069 -14.401 27.181 1.00 1.00 H new ATOM 0 HG12 ILE A 100 31.086 -14.050 27.499 1.00 1.00 H new ATOM 0 HG13 ILE A 100 30.308 -14.206 25.937 1.00 1.00 H new ATOM 0 HG21 ILE A 100 28.848 -13.393 29.309 1.00 1.00 H new ATOM 0 HG22 ILE A 100 28.214 -15.035 29.574 1.00 1.00 H new ATOM 0 HG23 ILE A 100 29.971 -14.754 29.542 1.00 1.00 H new ATOM 0 HD11 ILE A 100 30.583 -11.816 26.545 1.00 1.00 H new ATOM 0 HD12 ILE A 100 28.857 -12.240 26.448 1.00 1.00 H new ATOM 0 HD13 ILE A 100 29.647 -12.082 28.035 1.00 1.00 H new ATOM 305 N SER A 101 28.359 -17.857 28.833 1.00 1.00 N ATOM 306 CA SER A 101 27.278 -18.698 29.421 1.00 1.00 C ATOM 307 C SER A 101 26.569 -17.920 30.527 1.00 1.00 C ATOM 308 O SER A 101 27.095 -16.971 31.073 1.00 1.00 O ATOM 309 CB SER A 101 27.882 -19.977 30.002 1.00 1.00 C ATOM 310 OG SER A 101 26.835 -20.870 30.359 1.00 1.00 O ATOM 0 H SER A 101 29.287 -18.010 29.227 1.00 1.00 H new ATOM 0 HA SER A 101 26.560 -18.958 28.644 1.00 1.00 H new ATOM 0 HB2 SER A 101 28.542 -20.445 29.272 1.00 1.00 H new ATOM 0 HB3 SER A 101 28.489 -19.742 30.876 1.00 1.00 H new ATOM 0 HG SER A 101 27.218 -21.692 30.730 1.00 1.00 H new ATOM 316 N ALA A 102 25.370 -18.310 30.853 1.00 1.00 N ATOM 317 CA ALA A 102 24.619 -17.590 31.915 1.00 1.00 C ATOM 318 C ALA A 102 25.410 -17.630 33.223 1.00 1.00 C ATOM 319 O ALA A 102 25.545 -16.634 33.910 1.00 1.00 O ATOM 320 CB ALA A 102 23.258 -18.258 32.118 1.00 1.00 C ATOM 0 H ALA A 102 24.878 -19.097 30.429 1.00 1.00 H new ATOM 0 HA ALA A 102 24.474 -16.552 31.615 1.00 1.00 H new ATOM 0 HB1 ALA A 102 22.706 -17.731 32.897 1.00 1.00 H new ATOM 0 HB2 ALA A 102 22.693 -18.223 31.186 1.00 1.00 H new ATOM 0 HB3 ALA A 102 23.403 -19.296 32.416 1.00 1.00 H new ATOM 326 N ALA A 103 25.941 -18.767 33.573 1.00 1.00 N ATOM 327 CA ALA A 103 26.727 -18.855 34.833 1.00 1.00 C ATOM 328 C ALA A 103 27.961 -17.958 34.722 1.00 1.00 C ATOM 329 O ALA A 103 28.387 -17.346 35.687 1.00 1.00 O ATOM 330 CB ALA A 103 27.162 -20.303 35.068 1.00 1.00 C ATOM 0 H ALA A 103 25.865 -19.636 33.044 1.00 1.00 H new ATOM 0 HA ALA A 103 26.112 -18.526 35.670 1.00 1.00 H new ATOM 0 HB1 ALA A 103 27.738 -20.365 35.992 1.00 1.00 H new ATOM 0 HB2 ALA A 103 26.281 -20.940 35.147 1.00 1.00 H new ATOM 0 HB3 ALA A 103 27.778 -20.638 34.233 1.00 1.00 H new ATOM 336 N GLU A 104 28.519 -17.833 33.548 1.00 1.00 N ATOM 337 CA GLU A 104 29.694 -16.935 33.391 1.00 1.00 C ATOM 338 C GLU A 104 29.221 -15.502 33.653 1.00 1.00 C ATOM 339 O GLU A 104 29.919 -14.697 34.240 1.00 1.00 O ATOM 340 CB GLU A 104 30.254 -17.051 31.969 1.00 1.00 C ATOM 341 CG GLU A 104 31.091 -18.329 31.853 1.00 1.00 C ATOM 342 CD GLU A 104 31.729 -18.402 30.464 1.00 1.00 C ATOM 343 OE1 GLU A 104 31.162 -17.841 29.541 1.00 1.00 O ATOM 344 OE2 GLU A 104 32.773 -19.022 30.347 1.00 1.00 O ATOM 0 H GLU A 104 28.214 -18.310 32.699 1.00 1.00 H new ATOM 0 HA GLU A 104 30.483 -17.210 34.091 1.00 1.00 H new ATOM 0 HB2 GLU A 104 29.439 -17.071 31.246 1.00 1.00 H new ATOM 0 HB3 GLU A 104 30.866 -16.180 31.735 1.00 1.00 H new ATOM 0 HG2 GLU A 104 31.865 -18.340 32.620 1.00 1.00 H new ATOM 0 HG3 GLU A 104 30.463 -19.204 32.022 1.00 1.00 H new ATOM 351 N LEU A 105 28.022 -15.193 33.232 1.00 1.00 N ATOM 352 CA LEU A 105 27.483 -13.828 33.466 1.00 1.00 C ATOM 353 C LEU A 105 27.356 -13.611 34.975 1.00 1.00 C ATOM 354 O LEU A 105 27.614 -12.541 35.489 1.00 1.00 O ATOM 355 CB LEU A 105 26.098 -13.701 32.810 1.00 1.00 C ATOM 356 CG LEU A 105 25.722 -12.210 32.659 1.00 1.00 C ATOM 357 CD1 LEU A 105 26.344 -11.624 31.383 1.00 1.00 C ATOM 358 CD2 LEU A 105 24.200 -12.066 32.575 1.00 1.00 C ATOM 0 H LEU A 105 27.396 -15.829 32.737 1.00 1.00 H new ATOM 0 HA LEU A 105 28.150 -13.082 33.034 1.00 1.00 H new ATOM 0 HB2 LEU A 105 26.103 -14.184 31.833 1.00 1.00 H new ATOM 0 HB3 LEU A 105 25.351 -14.214 33.416 1.00 1.00 H new ATOM 0 HG LEU A 105 26.103 -11.671 33.527 1.00 1.00 H new ATOM 0 HD11 LEU A 105 26.068 -10.573 31.293 1.00 1.00 H new ATOM 0 HD12 LEU A 105 27.429 -11.711 31.434 1.00 1.00 H new ATOM 0 HD13 LEU A 105 25.976 -12.171 30.515 1.00 1.00 H new ATOM 0 HD21 LEU A 105 23.939 -11.013 32.469 1.00 1.00 H new ATOM 0 HD22 LEU A 105 23.829 -12.620 31.713 1.00 1.00 H new ATOM 0 HD23 LEU A 105 23.746 -12.462 33.484 1.00 1.00 H new ATOM 370 N ARG A 106 26.959 -14.637 35.685 1.00 1.00 N ATOM 371 CA ARG A 106 26.810 -14.520 37.162 1.00 1.00 C ATOM 372 C ARG A 106 28.178 -14.249 37.784 1.00 1.00 C ATOM 373 O ARG A 106 28.301 -13.506 38.733 1.00 1.00 O ATOM 374 CB ARG A 106 26.256 -15.833 37.728 1.00 1.00 C ATOM 375 CG ARG A 106 24.756 -15.930 37.442 1.00 1.00 C ATOM 376 CD ARG A 106 24.181 -17.175 38.124 1.00 1.00 C ATOM 377 NE ARG A 106 25.158 -18.295 38.027 1.00 1.00 N ATOM 378 CZ ARG A 106 25.012 -19.355 38.774 1.00 1.00 C ATOM 379 NH1 ARG A 106 24.007 -19.436 39.602 1.00 1.00 N ATOM 380 NH2 ARG A 106 25.871 -20.334 38.691 1.00 1.00 N ATOM 0 H ARG A 106 26.731 -15.554 35.300 1.00 1.00 H new ATOM 0 HA ARG A 106 26.126 -13.704 37.394 1.00 1.00 H new ATOM 0 HB2 ARG A 106 26.776 -16.680 37.281 1.00 1.00 H new ATOM 0 HB3 ARG A 106 26.434 -15.880 38.802 1.00 1.00 H new ATOM 0 HG2 ARG A 106 24.248 -15.037 37.806 1.00 1.00 H new ATOM 0 HG3 ARG A 106 24.583 -15.980 36.367 1.00 1.00 H new ATOM 0 HD2 ARG A 106 23.962 -16.960 39.170 1.00 1.00 H new ATOM 0 HD3 ARG A 106 23.240 -17.458 37.652 1.00 1.00 H new ATOM 0 HE ARG A 106 25.941 -18.233 37.377 1.00 1.00 H new ATOM 0 HH11 ARG A 106 23.335 -18.671 39.665 1.00 1.00 H new ATOM 0 HH12 ARG A 106 23.893 -20.264 40.186 1.00 1.00 H new ATOM 0 HH21 ARG A 106 26.656 -20.270 38.043 1.00 1.00 H new ATOM 0 HH22 ARG A 106 25.758 -21.163 39.275 1.00 1.00 H new ATOM 394 N HIS A 107 29.209 -14.834 37.245 1.00 1.00 N ATOM 395 CA HIS A 107 30.569 -14.595 37.801 1.00 1.00 C ATOM 396 C HIS A 107 30.953 -13.129 37.584 1.00 1.00 C ATOM 397 O HIS A 107 31.384 -12.448 38.496 1.00 1.00 O ATOM 398 CB HIS A 107 31.575 -15.497 37.082 1.00 1.00 C ATOM 399 CG HIS A 107 32.967 -15.176 37.552 1.00 1.00 C ATOM 400 ND1 HIS A 107 33.783 -14.277 36.884 1.00 1.00 N ATOM 401 CD2 HIS A 107 33.702 -15.627 38.621 1.00 1.00 C ATOM 402 CE1 HIS A 107 34.950 -14.215 37.552 1.00 1.00 C ATOM 403 NE2 HIS A 107 34.953 -15.018 38.619 1.00 1.00 N ATOM 0 H HIS A 107 29.170 -15.466 36.445 1.00 1.00 H new ATOM 0 HA HIS A 107 30.575 -14.820 38.868 1.00 1.00 H new ATOM 0 HB2 HIS A 107 31.346 -16.544 37.280 1.00 1.00 H new ATOM 0 HB3 HIS A 107 31.502 -15.353 36.004 1.00 1.00 H new ATOM 0 HD2 HIS A 107 33.361 -16.345 39.352 1.00 1.00 H new ATOM 0 HE1 HIS A 107 35.782 -13.592 37.261 1.00 1.00 H new ATOM 0 HE2 HIS A 107 35.710 -15.155 39.289 1.00 1.00 H new ATOM 411 N VAL A 108 30.817 -12.640 36.382 1.00 1.00 N ATOM 412 CA VAL A 108 31.197 -11.224 36.105 1.00 1.00 C ATOM 413 C VAL A 108 30.272 -10.268 36.859 1.00 1.00 C ATOM 414 O VAL A 108 30.710 -9.318 37.473 1.00 1.00 O ATOM 415 CB VAL A 108 31.081 -10.954 34.604 1.00 1.00 C ATOM 416 CG1 VAL A 108 31.639 -9.566 34.279 1.00 1.00 C ATOM 417 CG2 VAL A 108 31.874 -12.010 33.835 1.00 1.00 C ATOM 0 H VAL A 108 30.460 -13.159 35.580 1.00 1.00 H new ATOM 0 HA VAL A 108 32.223 -11.063 36.437 1.00 1.00 H new ATOM 0 HB VAL A 108 30.031 -10.997 34.313 1.00 1.00 H new ATOM 0 HG11 VAL A 108 31.553 -9.381 33.208 1.00 1.00 H new ATOM 0 HG12 VAL A 108 31.074 -8.810 34.825 1.00 1.00 H new ATOM 0 HG13 VAL A 108 32.688 -9.518 34.572 1.00 1.00 H new ATOM 0 HG21 VAL A 108 31.792 -11.819 32.765 1.00 1.00 H new ATOM 0 HG22 VAL A 108 32.922 -11.966 34.132 1.00 1.00 H new ATOM 0 HG23 VAL A 108 31.474 -12.999 34.058 1.00 1.00 H new ATOM 427 N MET A 109 28.991 -10.495 36.784 1.00 1.00 N ATOM 428 CA MET A 109 28.029 -9.579 37.457 1.00 1.00 C ATOM 429 C MET A 109 28.188 -9.648 38.977 1.00 1.00 C ATOM 430 O MET A 109 28.149 -8.641 39.653 1.00 1.00 O ATOM 431 CB MET A 109 26.597 -9.982 37.069 1.00 1.00 C ATOM 432 CG MET A 109 26.249 -9.421 35.683 1.00 1.00 C ATOM 433 SD MET A 109 27.623 -9.707 34.538 1.00 1.00 S ATOM 434 CE MET A 109 26.964 -8.751 33.150 1.00 1.00 C ATOM 0 H MET A 109 28.568 -11.277 36.285 1.00 1.00 H new ATOM 0 HA MET A 109 28.230 -8.557 37.136 1.00 1.00 H new ATOM 0 HB2 MET A 109 26.505 -11.068 37.064 1.00 1.00 H new ATOM 0 HB3 MET A 109 25.892 -9.606 37.810 1.00 1.00 H new ATOM 0 HG2 MET A 109 25.344 -9.897 35.305 1.00 1.00 H new ATOM 0 HG3 MET A 109 26.041 -8.354 35.755 1.00 1.00 H new ATOM 0 HE1 MET A 109 27.526 -8.987 32.246 1.00 1.00 H new ATOM 0 HE2 MET A 109 25.914 -9.002 33.001 1.00 1.00 H new ATOM 0 HE3 MET A 109 27.055 -7.686 33.366 1.00 1.00 H new ATOM 444 N THR A 110 28.368 -10.819 39.522 1.00 1.00 N ATOM 445 CA THR A 110 28.512 -10.931 41.001 1.00 1.00 C ATOM 446 C THR A 110 29.784 -10.230 41.472 1.00 1.00 C ATOM 447 O THR A 110 29.768 -9.497 42.440 1.00 1.00 O ATOM 448 CB THR A 110 28.572 -12.407 41.406 1.00 1.00 C ATOM 449 OG1 THR A 110 29.576 -13.065 40.646 1.00 1.00 O ATOM 450 CG2 THR A 110 27.212 -13.077 41.162 1.00 1.00 C ATOM 0 H THR A 110 28.421 -11.700 39.010 1.00 1.00 H new ATOM 0 HA THR A 110 27.650 -10.454 41.467 1.00 1.00 H new ATOM 0 HB THR A 110 28.813 -12.478 42.467 1.00 1.00 H new ATOM 0 HG1 THR A 110 29.156 -13.700 40.029 1.00 1.00 H new ATOM 0 HG21 THR A 110 27.266 -14.126 41.453 1.00 1.00 H new ATOM 0 HG22 THR A 110 26.447 -12.575 41.754 1.00 1.00 H new ATOM 0 HG23 THR A 110 26.956 -13.007 40.105 1.00 1.00 H new ATOM 458 N ASN A 111 30.892 -10.443 40.812 1.00 1.00 N ATOM 459 CA ASN A 111 32.144 -9.770 41.265 1.00 1.00 C ATOM 460 C ASN A 111 32.127 -8.298 40.838 1.00 1.00 C ATOM 461 O ASN A 111 32.704 -7.447 41.485 1.00 1.00 O ATOM 462 CB ASN A 111 33.362 -10.477 40.667 1.00 1.00 C ATOM 463 CG ASN A 111 34.641 -9.817 41.182 1.00 1.00 C ATOM 464 OD1 ASN A 111 35.291 -9.082 40.465 1.00 1.00 O ATOM 465 ND2 ASN A 111 35.033 -10.049 42.405 1.00 1.00 N ATOM 0 H ASN A 111 30.984 -11.043 39.993 1.00 1.00 H new ATOM 0 HA ASN A 111 32.205 -9.823 42.352 1.00 1.00 H new ATOM 0 HB2 ASN A 111 33.351 -11.533 40.937 1.00 1.00 H new ATOM 0 HB3 ASN A 111 33.327 -10.426 39.579 1.00 1.00 H new ATOM 0 HD21 ASN A 111 35.885 -9.613 42.759 1.00 1.00 H new ATOM 0 HD22 ASN A 111 34.488 -10.666 43.007 1.00 1.00 H new ATOM 472 N LEU A 112 31.455 -7.990 39.760 1.00 1.00 N ATOM 473 CA LEU A 112 31.380 -6.575 39.294 1.00 1.00 C ATOM 474 C LEU A 112 30.550 -5.759 40.295 1.00 1.00 C ATOM 475 O LEU A 112 30.453 -4.552 40.203 1.00 1.00 O ATOM 476 CB LEU A 112 30.719 -6.547 37.906 1.00 1.00 C ATOM 477 CG LEU A 112 30.514 -5.107 37.410 1.00 1.00 C ATOM 478 CD1 LEU A 112 31.829 -4.318 37.498 1.00 1.00 C ATOM 479 CD2 LEU A 112 30.044 -5.149 35.952 1.00 1.00 C ATOM 0 H LEU A 112 30.952 -8.662 39.180 1.00 1.00 H new ATOM 0 HA LEU A 112 32.378 -6.142 39.227 1.00 1.00 H new ATOM 0 HB2 LEU A 112 31.339 -7.093 37.195 1.00 1.00 H new ATOM 0 HB3 LEU A 112 29.758 -7.059 37.949 1.00 1.00 H new ATOM 0 HG LEU A 112 29.768 -4.615 38.034 1.00 1.00 H new ATOM 0 HD11 LEU A 112 31.667 -3.300 37.143 1.00 1.00 H new ATOM 0 HD12 LEU A 112 32.169 -4.292 38.533 1.00 1.00 H new ATOM 0 HD13 LEU A 112 32.586 -4.802 36.880 1.00 1.00 H new ATOM 0 HD21 LEU A 112 29.895 -4.132 35.588 1.00 1.00 H new ATOM 0 HD22 LEU A 112 30.797 -5.646 35.341 1.00 1.00 H new ATOM 0 HD23 LEU A 112 29.105 -5.699 35.888 1.00 1.00 H new ATOM 491 N GLY A 113 29.968 -6.414 41.270 1.00 1.00 N ATOM 492 CA GLY A 113 29.152 -5.688 42.298 1.00 1.00 C ATOM 493 C GLY A 113 27.658 -5.884 42.019 1.00 1.00 C ATOM 494 O GLY A 113 26.818 -5.483 42.799 1.00 1.00 O ATOM 0 H GLY A 113 30.022 -7.424 41.400 1.00 1.00 H new ATOM 0 HA2 GLY A 113 29.395 -6.058 43.294 1.00 1.00 H new ATOM 0 HA3 GLY A 113 29.396 -4.626 42.284 1.00 1.00 H new ATOM 498 N GLU A 114 27.318 -6.515 40.923 1.00 1.00 N ATOM 499 CA GLU A 114 25.874 -6.758 40.604 1.00 1.00 C ATOM 500 C GLU A 114 25.534 -8.199 40.990 1.00 1.00 C ATOM 501 O GLU A 114 26.031 -9.135 40.401 1.00 1.00 O ATOM 502 CB GLU A 114 25.645 -6.568 39.103 1.00 1.00 C ATOM 503 CG GLU A 114 26.053 -5.150 38.697 1.00 1.00 C ATOM 504 CD GLU A 114 25.805 -4.957 37.199 1.00 1.00 C ATOM 505 OE1 GLU A 114 25.528 -5.941 36.533 1.00 1.00 O ATOM 506 OE2 GLU A 114 25.897 -3.829 36.744 1.00 1.00 O ATOM 0 H GLU A 114 27.978 -6.874 40.233 1.00 1.00 H new ATOM 0 HA GLU A 114 25.243 -6.059 41.154 1.00 1.00 H new ATOM 0 HB2 GLU A 114 26.226 -7.299 38.541 1.00 1.00 H new ATOM 0 HB3 GLU A 114 24.596 -6.739 38.860 1.00 1.00 H new ATOM 0 HG2 GLU A 114 25.482 -4.418 39.268 1.00 1.00 H new ATOM 0 HG3 GLU A 114 27.105 -4.983 38.927 1.00 1.00 H new ATOM 513 N LYS A 115 24.673 -8.394 41.958 1.00 1.00 N ATOM 514 CA LYS A 115 24.298 -9.789 42.358 1.00 1.00 C ATOM 515 C LYS A 115 22.935 -10.128 41.758 1.00 1.00 C ATOM 516 O LYS A 115 21.904 -9.688 42.227 1.00 1.00 O ATOM 517 CB LYS A 115 24.242 -9.896 43.882 1.00 1.00 C ATOM 518 CG LYS A 115 25.652 -9.737 44.453 1.00 1.00 C ATOM 519 CD LYS A 115 25.621 -9.958 45.966 1.00 1.00 C ATOM 520 CE LYS A 115 27.030 -9.786 46.537 1.00 1.00 C ATOM 521 NZ LYS A 115 27.620 -8.515 46.029 1.00 1.00 N ATOM 0 H LYS A 115 24.215 -7.652 42.487 1.00 1.00 H new ATOM 0 HA LYS A 115 25.045 -10.491 41.987 1.00 1.00 H new ATOM 0 HB2 LYS A 115 23.584 -9.127 44.288 1.00 1.00 H new ATOM 0 HB3 LYS A 115 23.825 -10.860 44.175 1.00 1.00 H new ATOM 0 HG2 LYS A 115 26.328 -10.453 43.985 1.00 1.00 H new ATOM 0 HG3 LYS A 115 26.036 -8.742 44.228 1.00 1.00 H new ATOM 0 HD2 LYS A 115 24.939 -9.248 46.434 1.00 1.00 H new ATOM 0 HD3 LYS A 115 25.246 -10.956 46.191 1.00 1.00 H new ATOM 0 HE2 LYS A 115 26.993 -9.773 47.626 1.00 1.00 H new ATOM 0 HE3 LYS A 115 27.656 -10.631 46.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 115 28.379 -8.205 46.668 1.00 1.00 H new ATOM 0 HZ2 LYS A 115 28.010 -8.669 45.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 115 26.883 -7.783 45.986 1.00 1.00 H new ATOM 535 N LEU A 116 22.933 -10.899 40.703 1.00 1.00 N ATOM 536 CA LEU A 116 21.658 -11.275 40.027 1.00 1.00 C ATOM 537 C LEU A 116 21.293 -12.715 40.371 1.00 1.00 C ATOM 538 O LEU A 116 22.144 -13.563 40.555 1.00 1.00 O ATOM 539 CB LEU A 116 21.848 -11.158 38.512 1.00 1.00 C ATOM 540 CG LEU A 116 22.508 -9.819 38.173 1.00 1.00 C ATOM 541 CD1 LEU A 116 22.666 -9.701 36.655 1.00 1.00 C ATOM 542 CD2 LEU A 116 21.636 -8.666 38.688 1.00 1.00 C ATOM 0 H LEU A 116 23.773 -11.289 40.276 1.00 1.00 H new ATOM 0 HA LEU A 116 20.861 -10.611 40.362 1.00 1.00 H new ATOM 0 HB2 LEU A 116 22.465 -11.980 38.149 1.00 1.00 H new ATOM 0 HB3 LEU A 116 20.884 -11.237 38.008 1.00 1.00 H new ATOM 0 HG LEU A 116 23.488 -9.768 38.648 1.00 1.00 H new ATOM 0 HD11 LEU A 116 23.136 -8.748 36.411 1.00 1.00 H new ATOM 0 HD12 LEU A 116 23.289 -10.517 36.290 1.00 1.00 H new ATOM 0 HD13 LEU A 116 21.685 -9.754 36.182 1.00 1.00 H new ATOM 0 HD21 LEU A 116 22.110 -7.715 38.445 1.00 1.00 H new ATOM 0 HD22 LEU A 116 20.654 -8.714 38.217 1.00 1.00 H new ATOM 0 HD23 LEU A 116 21.524 -8.749 39.769 1.00 1.00 H new ATOM 554 N THR A 117 20.021 -12.994 40.433 1.00 1.00 N ATOM 555 CA THR A 117 19.579 -14.384 40.737 1.00 1.00 C ATOM 556 C THR A 117 19.560 -15.172 39.427 1.00 1.00 C ATOM 557 O THR A 117 19.620 -14.603 38.355 1.00 1.00 O ATOM 558 CB THR A 117 18.171 -14.354 41.335 1.00 1.00 C ATOM 559 OG1 THR A 117 17.238 -14.002 40.324 1.00 1.00 O ATOM 560 CG2 THR A 117 18.116 -13.325 42.465 1.00 1.00 C ATOM 0 H THR A 117 19.269 -12.321 40.287 1.00 1.00 H new ATOM 0 HA THR A 117 20.257 -14.850 41.452 1.00 1.00 H new ATOM 0 HB THR A 117 17.923 -15.338 41.732 1.00 1.00 H new ATOM 0 HG1 THR A 117 16.335 -13.984 40.704 1.00 1.00 H new ATOM 0 HG21 THR A 117 17.112 -13.305 42.890 1.00 1.00 H new ATOM 0 HG22 THR A 117 18.833 -13.597 43.240 1.00 1.00 H new ATOM 0 HG23 THR A 117 18.363 -12.339 42.072 1.00 1.00 H new ATOM 568 N ASP A 118 19.490 -16.470 39.491 1.00 1.00 N ATOM 569 CA ASP A 118 19.482 -17.268 38.235 1.00 1.00 C ATOM 570 C ASP A 118 18.311 -16.830 37.354 1.00 1.00 C ATOM 571 O ASP A 118 18.393 -16.870 36.143 1.00 1.00 O ATOM 572 CB ASP A 118 19.352 -18.757 38.564 1.00 1.00 C ATOM 573 CG ASP A 118 20.687 -19.284 39.092 1.00 1.00 C ATOM 574 OD1 ASP A 118 21.636 -18.518 39.120 1.00 1.00 O ATOM 575 OD2 ASP A 118 20.739 -20.446 39.461 1.00 1.00 O ATOM 0 H ASP A 118 19.438 -17.012 40.354 1.00 1.00 H new ATOM 0 HA ASP A 118 20.417 -17.102 37.701 1.00 1.00 H new ATOM 0 HB2 ASP A 118 18.570 -18.908 39.308 1.00 1.00 H new ATOM 0 HB3 ASP A 118 19.057 -19.312 37.674 1.00 1.00 H new ATOM 580 N GLU A 119 17.221 -16.413 37.940 1.00 1.00 N ATOM 581 CA GLU A 119 16.064 -15.979 37.107 1.00 1.00 C ATOM 582 C GLU A 119 16.358 -14.603 36.500 1.00 1.00 C ATOM 583 O GLU A 119 16.079 -14.353 35.344 1.00 1.00 O ATOM 584 CB GLU A 119 14.802 -15.907 37.974 1.00 1.00 C ATOM 585 CG GLU A 119 13.561 -15.774 37.083 1.00 1.00 C ATOM 586 CD GLU A 119 13.500 -14.365 36.488 1.00 1.00 C ATOM 587 OE1 GLU A 119 14.068 -13.465 37.084 1.00 1.00 O ATOM 588 OE2 GLU A 119 12.885 -14.210 35.446 1.00 1.00 O ATOM 0 H GLU A 119 17.082 -16.354 38.949 1.00 1.00 H new ATOM 0 HA GLU A 119 15.904 -16.699 36.304 1.00 1.00 H new ATOM 0 HB2 GLU A 119 14.723 -16.802 38.591 1.00 1.00 H new ATOM 0 HB3 GLU A 119 14.865 -15.057 38.653 1.00 1.00 H new ATOM 0 HG2 GLU A 119 13.594 -16.515 36.284 1.00 1.00 H new ATOM 0 HG3 GLU A 119 12.661 -15.972 37.665 1.00 1.00 H new ATOM 595 N GLU A 120 16.936 -13.712 37.263 1.00 1.00 N ATOM 596 CA GLU A 120 17.262 -12.364 36.712 1.00 1.00 C ATOM 597 C GLU A 120 18.231 -12.532 35.545 1.00 1.00 C ATOM 598 O GLU A 120 18.133 -11.850 34.539 1.00 1.00 O ATOM 599 CB GLU A 120 17.913 -11.501 37.795 1.00 1.00 C ATOM 600 CG GLU A 120 16.862 -11.104 38.833 1.00 1.00 C ATOM 601 CD GLU A 120 17.480 -10.130 39.838 1.00 1.00 C ATOM 602 OE1 GLU A 120 18.678 -9.915 39.764 1.00 1.00 O ATOM 603 OE2 GLU A 120 16.744 -9.615 40.663 1.00 1.00 O ATOM 0 H GLU A 120 17.195 -13.859 38.239 1.00 1.00 H new ATOM 0 HA GLU A 120 16.348 -11.876 36.373 1.00 1.00 H new ATOM 0 HB2 GLU A 120 18.723 -12.051 38.274 1.00 1.00 H new ATOM 0 HB3 GLU A 120 18.353 -10.609 37.348 1.00 1.00 H new ATOM 0 HG2 GLU A 120 16.006 -10.641 38.341 1.00 1.00 H new ATOM 0 HG3 GLU A 120 16.492 -11.990 39.349 1.00 1.00 H new ATOM 610 N VAL A 121 19.154 -13.450 35.645 1.00 1.00 N ATOM 611 CA VAL A 121 20.094 -13.652 34.514 1.00 1.00 C ATOM 612 C VAL A 121 19.323 -14.328 33.386 1.00 1.00 C ATOM 613 O VAL A 121 19.524 -14.041 32.226 1.00 1.00 O ATOM 614 CB VAL A 121 21.281 -14.518 34.939 1.00 1.00 C ATOM 615 CG1 VAL A 121 22.113 -14.880 33.706 1.00 1.00 C ATOM 616 CG2 VAL A 121 22.151 -13.748 35.940 1.00 1.00 C ATOM 0 H VAL A 121 19.294 -14.060 36.451 1.00 1.00 H new ATOM 0 HA VAL A 121 20.493 -12.692 34.185 1.00 1.00 H new ATOM 0 HB VAL A 121 20.914 -15.430 35.411 1.00 1.00 H new ATOM 0 HG11 VAL A 121 22.960 -15.497 34.007 1.00 1.00 H new ATOM 0 HG12 VAL A 121 21.494 -15.432 32.999 1.00 1.00 H new ATOM 0 HG13 VAL A 121 22.478 -13.968 33.233 1.00 1.00 H new ATOM 0 HG21 VAL A 121 22.996 -14.368 36.240 1.00 1.00 H new ATOM 0 HG22 VAL A 121 22.519 -12.834 35.474 1.00 1.00 H new ATOM 0 HG23 VAL A 121 21.557 -13.494 36.818 1.00 1.00 H new ATOM 626 N ASP A 122 18.413 -15.196 33.721 1.00 1.00 N ATOM 627 CA ASP A 122 17.604 -15.846 32.662 1.00 1.00 C ATOM 628 C ASP A 122 16.907 -14.740 31.876 1.00 1.00 C ATOM 629 O ASP A 122 16.845 -14.771 30.664 1.00 1.00 O ATOM 630 CB ASP A 122 16.560 -16.765 33.300 1.00 1.00 C ATOM 631 CG ASP A 122 15.948 -17.666 32.226 1.00 1.00 C ATOM 632 OD1 ASP A 122 16.425 -17.626 31.104 1.00 1.00 O ATOM 633 OD2 ASP A 122 15.012 -18.382 32.543 1.00 1.00 O ATOM 0 H ASP A 122 18.197 -15.481 34.676 1.00 1.00 H new ATOM 0 HA ASP A 122 18.236 -16.445 32.006 1.00 1.00 H new ATOM 0 HB2 ASP A 122 17.022 -17.372 34.079 1.00 1.00 H new ATOM 0 HB3 ASP A 122 15.781 -16.171 33.778 1.00 1.00 H new ATOM 638 N GLU A 123 16.390 -13.749 32.555 1.00 1.00 N ATOM 639 CA GLU A 123 15.712 -12.632 31.844 1.00 1.00 C ATOM 640 C GLU A 123 16.720 -11.931 30.932 1.00 1.00 C ATOM 641 O GLU A 123 16.446 -11.663 29.779 1.00 1.00 O ATOM 642 CB GLU A 123 15.171 -11.631 32.868 1.00 1.00 C ATOM 643 CG GLU A 123 14.334 -10.567 32.154 1.00 1.00 C ATOM 644 CD GLU A 123 13.874 -9.516 33.165 1.00 1.00 C ATOM 645 OE1 GLU A 123 14.237 -9.639 34.323 1.00 1.00 O ATOM 646 OE2 GLU A 123 13.167 -8.606 32.764 1.00 1.00 O ATOM 0 H GLU A 123 16.410 -13.668 33.572 1.00 1.00 H new ATOM 0 HA GLU A 123 14.888 -13.023 31.248 1.00 1.00 H new ATOM 0 HB2 GLU A 123 14.563 -12.148 33.611 1.00 1.00 H new ATOM 0 HB3 GLU A 123 15.996 -11.161 33.403 1.00 1.00 H new ATOM 0 HG2 GLU A 123 14.921 -10.096 31.366 1.00 1.00 H new ATOM 0 HG3 GLU A 123 13.470 -11.029 31.676 1.00 1.00 H new ATOM 653 N MET A 124 17.892 -11.635 31.435 1.00 1.00 N ATOM 654 CA MET A 124 18.915 -10.957 30.587 1.00 1.00 C ATOM 655 C MET A 124 19.330 -11.882 29.442 1.00 1.00 C ATOM 656 O MET A 124 19.477 -11.463 28.311 1.00 1.00 O ATOM 657 CB MET A 124 20.151 -10.623 31.433 1.00 1.00 C ATOM 658 CG MET A 124 19.850 -9.423 32.334 1.00 1.00 C ATOM 659 SD MET A 124 21.341 -8.969 33.257 1.00 1.00 S ATOM 660 CE MET A 124 22.098 -7.927 31.984 1.00 1.00 C ATOM 0 H MET A 124 18.182 -11.833 32.392 1.00 1.00 H new ATOM 0 HA MET A 124 18.489 -10.039 30.182 1.00 1.00 H new ATOM 0 HB2 MET A 124 20.432 -11.484 32.039 1.00 1.00 H new ATOM 0 HB3 MET A 124 20.998 -10.400 30.784 1.00 1.00 H new ATOM 0 HG2 MET A 124 19.511 -8.579 31.733 1.00 1.00 H new ATOM 0 HG3 MET A 124 19.043 -9.667 33.024 1.00 1.00 H new ATOM 0 HE1 MET A 124 23.047 -7.535 32.351 1.00 1.00 H new ATOM 0 HE2 MET A 124 22.273 -8.519 31.086 1.00 1.00 H new ATOM 0 HE3 MET A 124 21.431 -7.098 31.748 1.00 1.00 H new ATOM 670 N ILE A 125 19.523 -13.137 29.734 1.00 1.00 N ATOM 671 CA ILE A 125 19.934 -14.102 28.678 1.00 1.00 C ATOM 672 C ILE A 125 18.806 -14.239 27.656 1.00 1.00 C ATOM 673 O ILE A 125 19.018 -14.146 26.467 1.00 1.00 O ATOM 674 CB ILE A 125 20.201 -15.465 29.336 1.00 1.00 C ATOM 675 CG1 ILE A 125 21.497 -15.412 30.170 1.00 1.00 C ATOM 676 CG2 ILE A 125 20.301 -16.569 28.275 1.00 1.00 C ATOM 677 CD1 ILE A 125 22.718 -15.080 29.296 1.00 1.00 C ATOM 0 H ILE A 125 19.413 -13.538 30.665 1.00 1.00 H new ATOM 0 HA ILE A 125 20.835 -13.750 28.175 1.00 1.00 H new ATOM 0 HB ILE A 125 19.365 -15.695 29.997 1.00 1.00 H new ATOM 0 HG12 ILE A 125 21.395 -14.662 30.954 1.00 1.00 H new ATOM 0 HG13 ILE A 125 21.652 -16.371 30.664 1.00 1.00 H new ATOM 0 HG21 ILE A 125 20.490 -17.526 28.762 1.00 1.00 H new ATOM 0 HG22 ILE A 125 19.366 -16.624 27.718 1.00 1.00 H new ATOM 0 HG23 ILE A 125 21.118 -16.343 27.590 1.00 1.00 H new ATOM 0 HD11 ILE A 125 23.613 -15.051 29.917 1.00 1.00 H new ATOM 0 HD12 ILE A 125 22.834 -15.844 28.528 1.00 1.00 H new ATOM 0 HD13 ILE A 125 22.573 -14.109 28.823 1.00 1.00 H new ATOM 689 N ARG A 126 17.609 -14.462 28.114 1.00 1.00 N ATOM 690 CA ARG A 126 16.469 -14.611 27.172 1.00 1.00 C ATOM 691 C ARG A 126 16.293 -13.327 26.362 1.00 1.00 C ATOM 692 O ARG A 126 15.980 -13.363 25.189 1.00 1.00 O ATOM 693 CB ARG A 126 15.192 -14.897 27.964 1.00 1.00 C ATOM 694 CG ARG A 126 15.275 -16.298 28.573 1.00 1.00 C ATOM 695 CD ARG A 126 14.120 -16.497 29.556 1.00 1.00 C ATOM 696 NE ARG A 126 14.274 -15.552 30.697 1.00 1.00 N ATOM 697 CZ ARG A 126 13.270 -15.330 31.501 1.00 1.00 C ATOM 698 NH1 ARG A 126 12.131 -15.934 31.303 1.00 1.00 N ATOM 699 NH2 ARG A 126 13.406 -14.504 32.501 1.00 1.00 N ATOM 0 H ARG A 126 17.370 -14.548 29.102 1.00 1.00 H new ATOM 0 HA ARG A 126 16.670 -15.437 26.490 1.00 1.00 H new ATOM 0 HB2 ARG A 126 15.065 -14.153 28.751 1.00 1.00 H new ATOM 0 HB3 ARG A 126 14.322 -14.823 27.312 1.00 1.00 H new ATOM 0 HG2 ARG A 126 15.231 -17.051 27.786 1.00 1.00 H new ATOM 0 HG3 ARG A 126 16.229 -16.428 29.085 1.00 1.00 H new ATOM 0 HD2 ARG A 126 13.167 -16.327 29.054 1.00 1.00 H new ATOM 0 HD3 ARG A 126 14.110 -17.525 29.919 1.00 1.00 H new ATOM 0 HE ARG A 126 15.164 -15.078 30.850 1.00 1.00 H new ATOM 0 HH11 ARG A 126 12.025 -16.579 30.520 1.00 1.00 H new ATOM 0 HH12 ARG A 126 11.346 -15.761 31.931 1.00 1.00 H new ATOM 0 HH21 ARG A 126 14.297 -14.032 32.655 1.00 1.00 H new ATOM 0 HH22 ARG A 126 12.622 -14.330 33.129 1.00 1.00 H new ATOM 713 N GLU A 127 16.481 -12.189 26.974 1.00 1.00 N ATOM 714 CA GLU A 127 16.306 -10.918 26.219 1.00 1.00 C ATOM 715 C GLU A 127 17.471 -10.737 25.243 1.00 1.00 C ATOM 716 O GLU A 127 17.286 -10.331 24.113 1.00 1.00 O ATOM 717 CB GLU A 127 16.259 -9.740 27.194 1.00 1.00 C ATOM 718 CG GLU A 127 15.893 -8.461 26.438 1.00 1.00 C ATOM 719 CD GLU A 127 15.960 -7.267 27.391 1.00 1.00 C ATOM 720 OE1 GLU A 127 16.313 -7.471 28.541 1.00 1.00 O ATOM 721 OE2 GLU A 127 15.657 -6.168 26.955 1.00 1.00 O ATOM 0 H GLU A 127 16.745 -12.086 27.954 1.00 1.00 H new ATOM 0 HA GLU A 127 15.371 -10.956 25.660 1.00 1.00 H new ATOM 0 HB2 GLU A 127 15.527 -9.933 27.978 1.00 1.00 H new ATOM 0 HB3 GLU A 127 17.226 -9.621 27.683 1.00 1.00 H new ATOM 0 HG2 GLU A 127 16.577 -8.312 25.603 1.00 1.00 H new ATOM 0 HG3 GLU A 127 14.891 -8.549 26.018 1.00 1.00 H new ATOM 728 N ALA A 128 18.674 -11.022 25.670 1.00 1.00 N ATOM 729 CA ALA A 128 19.850 -10.851 24.765 1.00 1.00 C ATOM 730 C ALA A 128 20.016 -12.086 23.876 1.00 1.00 C ATOM 731 O ALA A 128 20.607 -12.023 22.817 1.00 1.00 O ATOM 732 CB ALA A 128 21.113 -10.651 25.607 1.00 1.00 C ATOM 0 H ALA A 128 18.893 -11.365 26.605 1.00 1.00 H new ATOM 0 HA ALA A 128 19.689 -9.979 24.131 1.00 1.00 H new ATOM 0 HB1 ALA A 128 21.973 -10.526 24.949 1.00 1.00 H new ATOM 0 HB2 ALA A 128 20.999 -9.763 26.228 1.00 1.00 H new ATOM 0 HB3 ALA A 128 21.267 -11.522 26.244 1.00 1.00 H new ATOM 738 N ASP A 129 19.496 -13.208 24.293 1.00 1.00 N ATOM 739 CA ASP A 129 19.624 -14.438 23.462 1.00 1.00 C ATOM 740 C ASP A 129 18.562 -14.416 22.369 1.00 1.00 C ATOM 741 O ASP A 129 17.401 -14.685 22.605 1.00 1.00 O ATOM 742 CB ASP A 129 19.424 -15.677 24.337 1.00 1.00 C ATOM 743 CG ASP A 129 19.579 -16.934 23.481 1.00 1.00 C ATOM 744 OD1 ASP A 129 20.163 -16.832 22.415 1.00 1.00 O ATOM 745 OD2 ASP A 129 19.111 -17.976 23.906 1.00 1.00 O ATOM 0 H ASP A 129 18.990 -13.326 25.171 1.00 1.00 H new ATOM 0 HA ASP A 129 20.617 -14.471 23.014 1.00 1.00 H new ATOM 0 HB2 ASP A 129 20.152 -15.684 25.148 1.00 1.00 H new ATOM 0 HB3 ASP A 129 18.436 -15.656 24.796 1.00 1.00 H new ATOM 750 N ILE A 130 18.954 -14.069 21.174 1.00 1.00 N ATOM 751 CA ILE A 130 17.979 -13.993 20.050 1.00 1.00 C ATOM 752 C ILE A 130 17.812 -15.364 19.393 1.00 1.00 C ATOM 753 O ILE A 130 16.773 -15.664 18.839 1.00 1.00 O ATOM 754 CB ILE A 130 18.492 -12.993 19.010 1.00 1.00 C ATOM 755 CG1 ILE A 130 18.530 -11.593 19.631 1.00 1.00 C ATOM 756 CG2 ILE A 130 17.559 -12.993 17.794 1.00 1.00 C ATOM 757 CD1 ILE A 130 19.234 -10.623 18.678 1.00 1.00 C ATOM 0 H ILE A 130 19.915 -13.833 20.927 1.00 1.00 H new ATOM 0 HA ILE A 130 17.013 -13.670 20.439 1.00 1.00 H new ATOM 0 HB ILE A 130 19.495 -13.278 18.692 1.00 1.00 H new ATOM 0 HG12 ILE A 130 17.516 -11.247 19.834 1.00 1.00 H new ATOM 0 HG13 ILE A 130 19.053 -11.623 20.587 1.00 1.00 H new ATOM 0 HG21 ILE A 130 17.925 -12.281 17.054 1.00 1.00 H new ATOM 0 HG22 ILE A 130 17.533 -13.991 17.355 1.00 1.00 H new ATOM 0 HG23 ILE A 130 16.554 -12.708 18.106 1.00 1.00 H new ATOM 0 HD11 ILE A 130 19.259 -9.629 19.124 1.00 1.00 H new ATOM 0 HD12 ILE A 130 20.253 -10.965 18.498 1.00 1.00 H new ATOM 0 HD13 ILE A 130 18.692 -10.584 17.733 1.00 1.00 H new ATOM 769 N ASP A 131 18.814 -16.206 19.436 1.00 1.00 N ATOM 770 CA ASP A 131 18.677 -17.549 18.796 1.00 1.00 C ATOM 771 C ASP A 131 18.101 -18.536 19.811 1.00 1.00 C ATOM 772 O ASP A 131 17.909 -19.701 19.523 1.00 1.00 O ATOM 773 CB ASP A 131 20.052 -18.034 18.329 1.00 1.00 C ATOM 774 CG ASP A 131 21.023 -18.036 19.512 1.00 1.00 C ATOM 775 OD1 ASP A 131 20.583 -18.314 20.615 1.00 1.00 O ATOM 776 OD2 ASP A 131 22.192 -17.760 19.295 1.00 1.00 O ATOM 0 H ASP A 131 19.713 -16.024 19.882 1.00 1.00 H new ATOM 0 HA ASP A 131 18.009 -17.480 17.938 1.00 1.00 H new ATOM 0 HB2 ASP A 131 19.972 -19.037 17.909 1.00 1.00 H new ATOM 0 HB3 ASP A 131 20.428 -17.386 17.537 1.00 1.00 H new ATOM 781 N GLY A 132 17.817 -18.074 20.999 1.00 1.00 N ATOM 782 CA GLY A 132 17.245 -18.975 22.038 1.00 1.00 C ATOM 783 C GLY A 132 18.249 -20.077 22.389 1.00 1.00 C ATOM 784 O GLY A 132 17.879 -21.132 22.864 1.00 1.00 O ATOM 0 H GLY A 132 17.957 -17.108 21.295 1.00 1.00 H new ATOM 0 HA2 GLY A 132 16.996 -18.401 22.931 1.00 1.00 H new ATOM 0 HA3 GLY A 132 16.318 -19.419 21.675 1.00 1.00 H new ATOM 788 N ASP A 133 19.516 -19.848 22.161 1.00 1.00 N ATOM 789 CA ASP A 133 20.523 -20.901 22.489 1.00 1.00 C ATOM 790 C ASP A 133 20.766 -20.922 24.003 1.00 1.00 C ATOM 791 O ASP A 133 21.304 -21.868 24.544 1.00 1.00 O ATOM 792 CB ASP A 133 21.836 -20.621 21.749 1.00 1.00 C ATOM 793 CG ASP A 133 22.516 -19.387 22.346 1.00 1.00 C ATOM 794 OD1 ASP A 133 21.841 -18.634 23.029 1.00 1.00 O ATOM 795 OD2 ASP A 133 23.701 -19.217 22.112 1.00 1.00 O ATOM 0 H ASP A 133 19.894 -18.987 21.766 1.00 1.00 H new ATOM 0 HA ASP A 133 20.144 -21.873 22.172 1.00 1.00 H new ATOM 0 HB2 ASP A 133 22.498 -21.484 21.824 1.00 1.00 H new ATOM 0 HB3 ASP A 133 21.639 -20.462 20.689 1.00 1.00 H new ATOM 800 N GLY A 134 20.357 -19.888 24.690 1.00 1.00 N ATOM 801 CA GLY A 134 20.541 -19.842 26.172 1.00 1.00 C ATOM 802 C GLY A 134 21.892 -19.214 26.528 1.00 1.00 C ATOM 803 O GLY A 134 22.315 -19.246 27.667 1.00 1.00 O ATOM 0 H GLY A 134 19.901 -19.069 24.287 1.00 1.00 H new ATOM 0 HA2 GLY A 134 19.735 -19.266 26.626 1.00 1.00 H new ATOM 0 HA3 GLY A 134 20.483 -20.850 26.583 1.00 1.00 H new ATOM 807 N GLN A 135 22.572 -18.634 25.569 1.00 1.00 N ATOM 808 CA GLN A 135 23.895 -17.992 25.857 1.00 1.00 C ATOM 809 C GLN A 135 24.017 -16.693 25.053 1.00 1.00 C ATOM 810 O GLN A 135 23.317 -16.491 24.079 1.00 1.00 O ATOM 811 CB GLN A 135 25.026 -18.944 25.465 1.00 1.00 C ATOM 812 CG GLN A 135 24.942 -20.215 26.312 1.00 1.00 C ATOM 813 CD GLN A 135 26.191 -21.067 26.078 1.00 1.00 C ATOM 814 OE1 GLN A 135 27.100 -20.652 25.239 1.00 1.00 O flip ATOM 815 NE2 GLN A 135 26.341 -22.120 26.664 1.00 1.00 N flip ATOM 0 H GLN A 135 22.268 -18.577 24.597 1.00 1.00 H new ATOM 0 HA GLN A 135 23.965 -17.770 26.922 1.00 1.00 H new ATOM 0 HB2 GLN A 135 24.954 -19.195 24.407 1.00 1.00 H new ATOM 0 HB3 GLN A 135 25.991 -18.459 25.613 1.00 1.00 H new ATOM 0 HG2 GLN A 135 24.858 -19.957 27.368 1.00 1.00 H new ATOM 0 HG3 GLN A 135 24.048 -20.781 26.050 1.00 1.00 H new ATOM 0 HE21 GLN A 135 25.630 -22.444 27.320 1.00 1.00 H new ATOM 0 HE22 GLN A 135 27.178 -22.680 26.500 1.00 1.00 H new ATOM 824 N VAL A 136 24.898 -15.807 25.453 1.00 1.00 N ATOM 825 CA VAL A 136 25.065 -14.512 24.716 1.00 1.00 C ATOM 826 C VAL A 136 26.316 -14.568 23.844 1.00 1.00 C ATOM 827 O VAL A 136 27.412 -14.780 24.324 1.00 1.00 O ATOM 828 CB VAL A 136 25.223 -13.367 25.721 1.00 1.00 C ATOM 829 CG1 VAL A 136 25.128 -12.027 24.987 1.00 1.00 C ATOM 830 CG2 VAL A 136 24.121 -13.454 26.780 1.00 1.00 C ATOM 0 H VAL A 136 25.510 -15.925 26.260 1.00 1.00 H new ATOM 0 HA VAL A 136 24.187 -14.347 24.092 1.00 1.00 H new ATOM 0 HB VAL A 136 26.195 -13.445 26.208 1.00 1.00 H new ATOM 0 HG11 VAL A 136 25.240 -11.212 25.702 1.00 1.00 H new ATOM 0 HG12 VAL A 136 25.918 -11.965 24.239 1.00 1.00 H new ATOM 0 HG13 VAL A 136 24.158 -11.949 24.497 1.00 1.00 H new ATOM 0 HG21 VAL A 136 24.237 -12.638 27.493 1.00 1.00 H new ATOM 0 HG22 VAL A 136 23.146 -13.379 26.298 1.00 1.00 H new ATOM 0 HG23 VAL A 136 24.194 -14.407 27.304 1.00 1.00 H new ATOM 840 N ASN A 137 26.164 -14.351 22.564 1.00 1.00 N ATOM 841 CA ASN A 137 27.342 -14.358 21.649 1.00 1.00 C ATOM 842 C ASN A 137 27.814 -12.913 21.464 1.00 1.00 C ATOM 843 O ASN A 137 27.195 -11.984 21.942 1.00 1.00 O ATOM 844 CB ASN A 137 26.939 -14.958 20.297 1.00 1.00 C ATOM 845 CG ASN A 137 25.521 -14.516 19.939 1.00 1.00 C ATOM 846 OD1 ASN A 137 25.330 -13.472 19.348 1.00 1.00 O ATOM 847 ND2 ASN A 137 24.511 -15.272 20.272 1.00 1.00 N ATOM 0 H ASN A 137 25.269 -14.168 22.111 1.00 1.00 H new ATOM 0 HA ASN A 137 28.147 -14.960 22.070 1.00 1.00 H new ATOM 0 HB2 ASN A 137 27.636 -14.637 19.523 1.00 1.00 H new ATOM 0 HB3 ASN A 137 26.991 -16.046 20.341 1.00 1.00 H new ATOM 0 HD21 ASN A 137 23.561 -14.986 20.036 1.00 1.00 H new ATOM 0 HD22 ASN A 137 24.672 -16.149 20.768 1.00 1.00 H new ATOM 854 N TYR A 138 28.911 -12.714 20.791 1.00 1.00 N ATOM 855 CA TYR A 138 29.428 -11.331 20.596 1.00 1.00 C ATOM 856 C TYR A 138 28.362 -10.439 19.956 1.00 1.00 C ATOM 857 O TYR A 138 28.139 -9.331 20.398 1.00 1.00 O ATOM 858 CB TYR A 138 30.662 -11.373 19.691 1.00 1.00 C ATOM 859 CG TYR A 138 31.143 -9.963 19.433 1.00 1.00 C ATOM 860 CD1 TYR A 138 31.776 -9.243 20.452 1.00 1.00 C ATOM 861 CD2 TYR A 138 30.953 -9.375 18.175 1.00 1.00 C ATOM 862 CE1 TYR A 138 32.218 -7.936 20.215 1.00 1.00 C ATOM 863 CE2 TYR A 138 31.396 -8.069 17.939 1.00 1.00 C ATOM 864 CZ TYR A 138 32.029 -7.349 18.959 1.00 1.00 C ATOM 0 H TYR A 138 29.474 -13.451 20.366 1.00 1.00 H new ATOM 0 HA TYR A 138 29.691 -10.917 21.570 1.00 1.00 H new ATOM 0 HB2 TYR A 138 31.452 -11.958 20.162 1.00 1.00 H new ATOM 0 HB3 TYR A 138 30.419 -11.864 18.749 1.00 1.00 H new ATOM 0 HD1 TYR A 138 31.924 -9.696 21.421 1.00 1.00 H new ATOM 0 HD2 TYR A 138 30.465 -9.930 17.388 1.00 1.00 H new ATOM 0 HE1 TYR A 138 32.705 -7.380 21.002 1.00 1.00 H new ATOM 0 HE2 TYR A 138 31.250 -7.616 16.969 1.00 1.00 H new ATOM 873 N GLU A 139 27.706 -10.881 18.919 1.00 1.00 N ATOM 874 CA GLU A 139 26.677 -10.015 18.273 1.00 1.00 C ATOM 875 C GLU A 139 25.573 -9.664 19.277 1.00 1.00 C ATOM 876 O GLU A 139 25.159 -8.525 19.391 1.00 1.00 O ATOM 877 CB GLU A 139 26.055 -10.749 17.078 1.00 1.00 C ATOM 878 CG GLU A 139 27.161 -11.308 16.169 1.00 1.00 C ATOM 879 CD GLU A 139 27.669 -12.644 16.721 1.00 1.00 C ATOM 880 OE1 GLU A 139 27.225 -13.029 17.790 1.00 1.00 O ATOM 881 OE2 GLU A 139 28.493 -13.259 16.064 1.00 1.00 O ATOM 0 H GLU A 139 27.836 -11.798 18.492 1.00 1.00 H new ATOM 0 HA GLU A 139 27.158 -9.099 17.932 1.00 1.00 H new ATOM 0 HB2 GLU A 139 25.418 -11.560 17.431 1.00 1.00 H new ATOM 0 HB3 GLU A 139 25.419 -10.067 16.513 1.00 1.00 H new ATOM 0 HG2 GLU A 139 26.777 -11.445 15.158 1.00 1.00 H new ATOM 0 HG3 GLU A 139 27.984 -10.596 16.104 1.00 1.00 H new ATOM 888 N GLU A 140 25.096 -10.634 20.005 1.00 1.00 N ATOM 889 CA GLU A 140 24.022 -10.364 21.001 1.00 1.00 C ATOM 890 C GLU A 140 24.559 -9.455 22.107 1.00 1.00 C ATOM 891 O GLU A 140 23.879 -8.564 22.574 1.00 1.00 O ATOM 892 CB GLU A 140 23.557 -11.689 21.609 1.00 1.00 C ATOM 893 CG GLU A 140 22.671 -12.428 20.603 1.00 1.00 C ATOM 894 CD GLU A 140 22.315 -13.806 21.157 1.00 1.00 C ATOM 895 OE1 GLU A 140 22.797 -14.132 22.228 1.00 1.00 O ATOM 896 OE2 GLU A 140 21.567 -14.513 20.502 1.00 1.00 O ATOM 0 H GLU A 140 25.404 -11.605 19.953 1.00 1.00 H new ATOM 0 HA GLU A 140 23.184 -9.870 20.508 1.00 1.00 H new ATOM 0 HB2 GLU A 140 24.418 -12.303 21.871 1.00 1.00 H new ATOM 0 HB3 GLU A 140 23.004 -11.505 22.530 1.00 1.00 H new ATOM 0 HG2 GLU A 140 21.764 -11.855 20.411 1.00 1.00 H new ATOM 0 HG3 GLU A 140 23.191 -12.530 19.650 1.00 1.00 H new ATOM 903 N PHE A 141 25.777 -9.665 22.524 1.00 1.00 N ATOM 904 CA PHE A 141 26.350 -8.801 23.591 1.00 1.00 C ATOM 905 C PHE A 141 26.408 -7.358 23.094 1.00 1.00 C ATOM 906 O PHE A 141 26.054 -6.434 23.797 1.00 1.00 O ATOM 907 CB PHE A 141 27.764 -9.273 23.934 1.00 1.00 C ATOM 908 CG PHE A 141 28.252 -8.513 25.144 1.00 1.00 C ATOM 909 CD1 PHE A 141 28.731 -7.205 24.998 1.00 1.00 C ATOM 910 CD2 PHE A 141 28.217 -9.108 26.410 1.00 1.00 C ATOM 911 CE1 PHE A 141 29.174 -6.493 26.118 1.00 1.00 C ATOM 912 CE2 PHE A 141 28.662 -8.396 27.530 1.00 1.00 C ATOM 913 CZ PHE A 141 29.140 -7.087 27.383 1.00 1.00 C ATOM 0 H PHE A 141 26.397 -10.395 22.173 1.00 1.00 H new ATOM 0 HA PHE A 141 25.723 -8.861 24.480 1.00 1.00 H new ATOM 0 HB2 PHE A 141 27.766 -10.344 24.136 1.00 1.00 H new ATOM 0 HB3 PHE A 141 28.432 -9.107 23.089 1.00 1.00 H new ATOM 0 HD1 PHE A 141 28.758 -6.746 24.021 1.00 1.00 H new ATOM 0 HD2 PHE A 141 27.847 -10.116 26.523 1.00 1.00 H new ATOM 0 HE1 PHE A 141 29.542 -5.484 26.005 1.00 1.00 H new ATOM 0 HE2 PHE A 141 28.637 -8.855 28.507 1.00 1.00 H new ATOM 0 HZ PHE A 141 29.482 -6.537 28.247 1.00 1.00 H new ATOM 923 N VAL A 142 26.845 -7.154 21.884 1.00 1.00 N ATOM 924 CA VAL A 142 26.916 -5.767 21.351 1.00 1.00 C ATOM 925 C VAL A 142 25.519 -5.150 21.363 1.00 1.00 C ATOM 926 O VAL A 142 25.324 -4.055 21.848 1.00 1.00 O ATOM 927 CB VAL A 142 27.446 -5.791 19.914 1.00 1.00 C ATOM 928 CG1 VAL A 142 27.422 -4.371 19.342 1.00 1.00 C ATOM 929 CG2 VAL A 142 28.886 -6.324 19.902 1.00 1.00 C ATOM 0 H VAL A 142 27.155 -7.885 21.243 1.00 1.00 H new ATOM 0 HA VAL A 142 27.587 -5.175 21.973 1.00 1.00 H new ATOM 0 HB VAL A 142 26.817 -6.442 19.306 1.00 1.00 H new ATOM 0 HG11 VAL A 142 27.799 -4.384 18.319 1.00 1.00 H new ATOM 0 HG12 VAL A 142 26.399 -3.994 19.347 1.00 1.00 H new ATOM 0 HG13 VAL A 142 28.051 -3.722 19.952 1.00 1.00 H new ATOM 0 HG21 VAL A 142 29.260 -6.340 18.878 1.00 1.00 H new ATOM 0 HG22 VAL A 142 29.519 -5.677 20.509 1.00 1.00 H new ATOM 0 HG23 VAL A 142 28.903 -7.335 20.310 1.00 1.00 H new ATOM 939 N GLN A 143 24.545 -5.830 20.826 1.00 1.00 N ATOM 940 CA GLN A 143 23.169 -5.254 20.802 1.00 1.00 C ATOM 941 C GLN A 143 22.660 -5.029 22.231 1.00 1.00 C ATOM 942 O GLN A 143 22.046 -4.024 22.524 1.00 1.00 O ATOM 943 CB GLN A 143 22.228 -6.210 20.067 1.00 1.00 C ATOM 944 CG GLN A 143 20.882 -5.523 19.824 1.00 1.00 C ATOM 945 CD GLN A 143 19.876 -6.547 19.297 1.00 1.00 C ATOM 946 OE1 GLN A 143 19.499 -7.463 20.001 1.00 1.00 O ATOM 947 NE2 GLN A 143 19.421 -6.430 18.080 1.00 1.00 N ATOM 0 H GLN A 143 24.639 -6.754 20.405 1.00 1.00 H new ATOM 0 HA GLN A 143 23.196 -4.296 20.284 1.00 1.00 H new ATOM 0 HB2 GLN A 143 22.670 -6.512 19.117 1.00 1.00 H new ATOM 0 HB3 GLN A 143 22.084 -7.117 20.654 1.00 1.00 H new ATOM 0 HG2 GLN A 143 20.515 -5.080 20.750 1.00 1.00 H new ATOM 0 HG3 GLN A 143 21.000 -4.711 19.107 1.00 1.00 H new ATOM 0 HE21 GLN A 143 19.737 -5.661 17.489 1.00 1.00 H new ATOM 0 HE22 GLN A 143 18.749 -7.107 17.719 1.00 1.00 H new ATOM 956 N MET A 144 22.888 -5.959 23.118 1.00 1.00 N ATOM 957 CA MET A 144 22.386 -5.790 24.515 1.00 1.00 C ATOM 958 C MET A 144 23.070 -4.595 25.189 1.00 1.00 C ATOM 959 O MET A 144 22.437 -3.829 25.888 1.00 1.00 O ATOM 960 CB MET A 144 22.686 -7.057 25.324 1.00 1.00 C ATOM 961 CG MET A 144 21.946 -7.016 26.668 1.00 1.00 C ATOM 962 SD MET A 144 22.783 -5.882 27.804 1.00 1.00 S ATOM 963 CE MET A 144 21.477 -5.808 29.054 1.00 1.00 C ATOM 0 H MET A 144 23.397 -6.825 22.939 1.00 1.00 H new ATOM 0 HA MET A 144 21.311 -5.614 24.479 1.00 1.00 H new ATOM 0 HB2 MET A 144 22.381 -7.938 24.760 1.00 1.00 H new ATOM 0 HB3 MET A 144 23.759 -7.143 25.494 1.00 1.00 H new ATOM 0 HG2 MET A 144 20.916 -6.695 26.515 1.00 1.00 H new ATOM 0 HG3 MET A 144 21.908 -8.015 27.102 1.00 1.00 H new ATOM 0 HE1 MET A 144 21.794 -5.164 29.874 1.00 1.00 H new ATOM 0 HE2 MET A 144 20.568 -5.405 28.607 1.00 1.00 H new ATOM 0 HE3 MET A 144 21.281 -6.810 29.435 1.00 1.00 H new ATOM 973 N MET A 145 24.353 -4.423 24.998 1.00 1.00 N ATOM 974 CA MET A 145 25.057 -3.271 25.644 1.00 1.00 C ATOM 975 C MET A 145 25.047 -2.054 24.711 1.00 1.00 C ATOM 976 O MET A 145 25.162 -0.926 25.148 1.00 1.00 O ATOM 977 CB MET A 145 26.513 -3.651 25.953 1.00 1.00 C ATOM 978 CG MET A 145 26.561 -4.678 27.095 1.00 1.00 C ATOM 979 SD MET A 145 26.113 -6.317 26.476 1.00 1.00 S ATOM 980 CE MET A 145 26.052 -7.157 28.080 1.00 1.00 C ATOM 0 H MET A 145 24.943 -5.027 24.425 1.00 1.00 H new ATOM 0 HA MET A 145 24.537 -3.024 26.570 1.00 1.00 H new ATOM 0 HB2 MET A 145 26.986 -4.064 25.062 1.00 1.00 H new ATOM 0 HB3 MET A 145 27.078 -2.761 26.230 1.00 1.00 H new ATOM 0 HG2 MET A 145 27.561 -4.705 27.528 1.00 1.00 H new ATOM 0 HG3 MET A 145 25.877 -4.382 27.890 1.00 1.00 H new ATOM 0 HE1 MET A 145 26.108 -8.235 27.929 1.00 1.00 H new ATOM 0 HE2 MET A 145 26.893 -6.833 28.693 1.00 1.00 H new ATOM 0 HE3 MET A 145 25.118 -6.909 28.585 1.00 1.00 H new