USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 178:sc= -1.86 (180deg=-1.95) USER MOD Single : A 34 THR OG1 : rot 81:sc= 1.3 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -154:sc= -0.127 (180deg=-1.58) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.9) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 67 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 68:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 67 N GLU A 6 8.833 -9.201 -3.989 1.00 1.42 N ATOM 68 CA GLU A 6 9.448 -9.957 -5.073 1.00 52.04 C ATOM 69 C GLU A 6 10.451 -10.971 -4.530 1.00 14.44 C ATOM 70 O GLU A 6 11.408 -11.337 -5.210 1.00 4.23 O ATOM 71 CB GLU A 6 10.143 -9.011 -6.054 1.00 43.14 C ATOM 72 CG GLU A 6 11.274 -8.210 -5.430 1.00 72.32 C ATOM 73 CD GLU A 6 12.487 -8.112 -6.334 1.00 43.22 C ATOM 74 OE1 GLU A 6 12.310 -8.128 -7.570 1.00 61.00 O ATOM 75 OE2 GLU A 6 13.615 -8.018 -5.805 1.00 34.13 O ATOM 0 HA GLU A 6 8.660 -10.497 -5.597 1.00 52.04 H new ATOM 0 HB2 GLU A 6 10.537 -9.592 -6.888 1.00 43.14 H new ATOM 0 HB3 GLU A 6 9.405 -8.322 -6.466 1.00 43.14 H new ATOM 0 HG2 GLU A 6 10.918 -7.207 -5.196 1.00 72.32 H new ATOM 0 HG3 GLU A 6 11.565 -8.673 -4.487 1.00 72.32 H new ATOM 82 N GLU A 7 10.222 -11.419 -3.299 1.00 2.40 N ATOM 83 CA GLU A 7 11.106 -12.388 -2.664 1.00 24.55 C ATOM 84 C GLU A 7 10.594 -13.811 -2.873 1.00 10.44 C ATOM 85 O GLU A 7 11.371 -14.764 -2.893 1.00 64.12 O ATOM 86 CB GLU A 7 11.231 -12.094 -1.167 1.00 70.41 C ATOM 87 CG GLU A 7 12.523 -12.605 -0.552 1.00 42.10 C ATOM 88 CD GLU A 7 13.037 -11.706 0.556 1.00 42.35 C ATOM 89 OE1 GLU A 7 12.243 -11.355 1.452 1.00 14.34 O ATOM 90 OE2 GLU A 7 14.235 -11.353 0.525 1.00 60.31 O ATOM 0 H GLU A 7 9.433 -11.126 -2.723 1.00 2.40 H new ATOM 0 HA GLU A 7 12.089 -12.302 -3.127 1.00 24.55 H new ATOM 0 HB2 GLU A 7 11.165 -11.017 -1.010 1.00 70.41 H new ATOM 0 HB3 GLU A 7 10.387 -12.545 -0.645 1.00 70.41 H new ATOM 0 HG2 GLU A 7 12.361 -13.607 -0.156 1.00 42.10 H new ATOM 0 HG3 GLU A 7 13.283 -12.688 -1.329 1.00 42.10 H new ATOM 97 N GLU A 8 9.280 -13.943 -3.027 1.00 22.33 N ATOM 98 CA GLU A 8 8.664 -15.249 -3.233 1.00 0.24 C ATOM 99 C GLU A 8 9.118 -15.863 -4.554 1.00 4.52 C ATOM 100 O GLU A 8 8.933 -17.056 -4.792 1.00 32.31 O ATOM 101 CB GLU A 8 7.139 -15.127 -3.212 1.00 51.52 C ATOM 102 CG GLU A 8 6.586 -14.226 -4.304 1.00 11.33 C ATOM 103 CD GLU A 8 5.198 -14.638 -4.753 1.00 73.52 C ATOM 104 OE1 GLU A 8 4.373 -14.991 -3.885 1.00 14.12 O ATOM 105 OE2 GLU A 8 4.937 -14.609 -5.974 1.00 51.42 O ATOM 0 H GLU A 8 8.623 -13.163 -3.013 1.00 22.33 H new ATOM 0 HA GLU A 8 8.980 -15.903 -2.421 1.00 0.24 H new ATOM 0 HB2 GLU A 8 6.702 -16.120 -3.316 1.00 51.52 H new ATOM 0 HB3 GLU A 8 6.827 -14.741 -2.241 1.00 51.52 H new ATOM 0 HG2 GLU A 8 6.556 -13.198 -3.942 1.00 11.33 H new ATOM 0 HG3 GLU A 8 7.261 -14.243 -5.160 1.00 11.33 H new ATOM 112 N ILE A 9 9.713 -15.038 -5.409 1.00 4.32 N ATOM 113 CA ILE A 9 10.195 -15.499 -6.705 1.00 55.22 C ATOM 114 C ILE A 9 11.572 -16.142 -6.583 1.00 51.34 C ATOM 115 O ILE A 9 11.853 -17.157 -7.221 1.00 0.41 O ATOM 116 CB ILE A 9 10.267 -14.344 -7.722 1.00 24.22 C ATOM 117 CG1 ILE A 9 8.891 -13.698 -7.892 1.00 0.34 C ATOM 118 CG2 ILE A 9 10.791 -14.848 -9.059 1.00 15.13 C ATOM 119 CD1 ILE A 9 8.926 -12.395 -8.660 1.00 20.02 C ATOM 0 H ILE A 9 9.873 -14.047 -5.228 1.00 4.32 H new ATOM 0 HA ILE A 9 9.481 -16.242 -7.061 1.00 55.22 H new ATOM 0 HB ILE A 9 10.957 -13.589 -7.344 1.00 24.22 H new ATOM 0 HG12 ILE A 9 8.232 -14.397 -8.407 1.00 0.34 H new ATOM 0 HG13 ILE A 9 8.459 -13.519 -6.908 1.00 0.34 H new ATOM 0 HG21 ILE A 9 10.836 -14.021 -9.767 1.00 15.13 H new ATOM 0 HG22 ILE A 9 11.789 -15.266 -8.925 1.00 15.13 H new ATOM 0 HG23 ILE A 9 10.124 -15.619 -9.444 1.00 15.13 H new ATOM 0 HD11 ILE A 9 7.916 -11.994 -8.742 1.00 20.02 H new ATOM 0 HD12 ILE A 9 9.559 -11.680 -8.135 1.00 20.02 H new ATOM 0 HD13 ILE A 9 9.329 -12.571 -9.658 1.00 20.02 H new ATOM 131 N ARG A 10 12.427 -15.545 -5.759 1.00 53.32 N ATOM 132 CA ARG A 10 13.775 -16.059 -5.553 1.00 21.41 C ATOM 133 C ARG A 10 13.742 -17.543 -5.199 1.00 64.43 C ATOM 134 O ARG A 10 14.524 -18.334 -5.727 1.00 1.31 O ATOM 135 CB ARG A 10 14.479 -15.275 -4.444 1.00 30.32 C ATOM 136 CG ARG A 10 15.761 -15.929 -3.955 1.00 70.40 C ATOM 137 CD ARG A 10 15.555 -16.630 -2.621 1.00 44.01 C ATOM 138 NE ARG A 10 15.740 -15.722 -1.492 1.00 24.41 N ATOM 139 CZ ARG A 10 15.681 -16.108 -0.222 1.00 40.31 C ATOM 140 NH1 ARG A 10 15.443 -17.377 0.079 1.00 43.13 N ATOM 141 NH2 ARG A 10 15.860 -15.222 0.750 1.00 22.51 N ATOM 0 H ARG A 10 12.210 -14.705 -5.223 1.00 53.32 H new ATOM 0 HA ARG A 10 14.330 -15.937 -6.483 1.00 21.41 H new ATOM 0 HB2 ARG A 10 14.708 -14.273 -4.808 1.00 30.32 H new ATOM 0 HB3 ARG A 10 13.796 -15.160 -3.602 1.00 30.32 H new ATOM 0 HG2 ARG A 10 16.109 -16.649 -4.696 1.00 70.40 H new ATOM 0 HG3 ARG A 10 16.540 -15.174 -3.854 1.00 70.40 H new ATOM 0 HD2 ARG A 10 14.551 -17.053 -2.585 1.00 44.01 H new ATOM 0 HD3 ARG A 10 16.255 -17.461 -2.536 1.00 44.01 H new ATOM 0 HE ARG A 10 15.924 -14.738 -1.689 1.00 24.41 H new ATOM 0 HH11 ARG A 10 15.305 -18.060 -0.665 1.00 43.13 H new ATOM 0 HH12 ARG A 10 15.398 -17.670 1.055 1.00 43.13 H new ATOM 0 HH21 ARG A 10 16.043 -14.245 0.522 1.00 22.51 H new ATOM 0 HH22 ARG A 10 15.815 -15.518 1.725 1.00 22.51 H new ATOM 155 N GLU A 11 12.833 -17.913 -4.303 1.00 71.10 N ATOM 156 CA GLU A 11 12.700 -19.302 -3.879 1.00 2.14 C ATOM 157 C GLU A 11 11.938 -20.118 -4.918 1.00 55.03 C ATOM 158 O GLU A 11 12.088 -21.337 -4.999 1.00 2.34 O ATOM 159 CB GLU A 11 11.985 -19.380 -2.528 1.00 52.43 C ATOM 160 CG GLU A 11 12.835 -18.907 -1.361 1.00 21.31 C ATOM 161 CD GLU A 11 12.625 -19.740 -0.112 1.00 20.55 C ATOM 162 OE1 GLU A 11 13.342 -20.750 0.055 1.00 11.54 O ATOM 163 OE2 GLU A 11 11.744 -19.384 0.699 1.00 64.22 O ATOM 0 H GLU A 11 12.178 -17.271 -3.857 1.00 71.10 H new ATOM 0 HA GLU A 11 13.701 -19.721 -3.777 1.00 2.14 H new ATOM 0 HB2 GLU A 11 11.077 -18.779 -2.572 1.00 52.43 H new ATOM 0 HB3 GLU A 11 11.677 -20.410 -2.348 1.00 52.43 H new ATOM 0 HG2 GLU A 11 13.887 -18.943 -1.644 1.00 21.31 H new ATOM 0 HG3 GLU A 11 12.599 -17.866 -1.143 1.00 21.31 H new ATOM 170 N ALA A 12 11.118 -19.436 -5.712 1.00 60.40 N ATOM 171 CA ALA A 12 10.333 -20.097 -6.747 1.00 52.34 C ATOM 172 C ALA A 12 11.233 -20.683 -7.829 1.00 63.22 C ATOM 173 O ALA A 12 10.981 -21.776 -8.336 1.00 74.40 O ATOM 174 CB ALA A 12 9.338 -19.121 -7.358 1.00 53.10 C ATOM 0 H ALA A 12 10.981 -18.427 -5.658 1.00 60.40 H new ATOM 0 HA ALA A 12 9.784 -20.917 -6.284 1.00 52.34 H new ATOM 0 HB1 ALA A 12 8.758 -19.628 -8.130 1.00 53.10 H new ATOM 0 HB2 ALA A 12 8.666 -18.753 -6.582 1.00 53.10 H new ATOM 0 HB3 ALA A 12 9.876 -18.282 -7.800 1.00 53.10 H new ATOM 180 N PHE A 13 12.285 -19.950 -8.179 1.00 53.42 N ATOM 181 CA PHE A 13 13.222 -20.397 -9.203 1.00 2.22 C ATOM 182 C PHE A 13 14.252 -21.358 -8.615 1.00 14.41 C ATOM 183 O PHE A 13 14.889 -22.122 -9.340 1.00 53.54 O ATOM 184 CB PHE A 13 13.931 -19.197 -9.835 1.00 14.11 C ATOM 185 CG PHE A 13 13.197 -18.619 -11.011 1.00 71.02 C ATOM 186 CD1 PHE A 13 13.215 -19.261 -12.239 1.00 41.31 C ATOM 187 CD2 PHE A 13 12.488 -17.435 -10.889 1.00 5.41 C ATOM 188 CE1 PHE A 13 12.542 -18.731 -13.323 1.00 55.42 C ATOM 189 CE2 PHE A 13 11.812 -16.900 -11.970 1.00 5.15 C ATOM 190 CZ PHE A 13 11.838 -17.549 -13.188 1.00 63.50 C ATOM 0 H PHE A 13 12.510 -19.044 -7.768 1.00 53.42 H new ATOM 0 HA PHE A 13 12.657 -20.923 -9.972 1.00 2.22 H new ATOM 0 HB2 PHE A 13 14.059 -18.422 -9.080 1.00 14.11 H new ATOM 0 HB3 PHE A 13 14.929 -19.500 -10.153 1.00 14.11 H new ATOM 0 HD1 PHE A 13 13.761 -20.186 -12.350 1.00 41.31 H new ATOM 0 HD2 PHE A 13 12.463 -16.924 -9.938 1.00 5.41 H new ATOM 0 HE1 PHE A 13 12.566 -19.240 -14.275 1.00 55.42 H new ATOM 0 HE2 PHE A 13 11.264 -15.976 -11.862 1.00 5.15 H new ATOM 0 HZ PHE A 13 11.310 -17.134 -14.034 1.00 63.50 H new ATOM 200 N ARG A 14 14.409 -21.313 -7.296 1.00 52.50 N ATOM 201 CA ARG A 14 15.362 -22.177 -6.610 1.00 75.02 C ATOM 202 C ARG A 14 14.770 -23.565 -6.383 1.00 63.31 C ATOM 203 O ARG A 14 15.467 -24.574 -6.494 1.00 21.20 O ATOM 204 CB ARG A 14 15.771 -21.560 -5.271 1.00 75.04 C ATOM 205 CG ARG A 14 16.643 -22.470 -4.422 1.00 72.34 C ATOM 206 CD ARG A 14 17.161 -21.751 -3.187 1.00 65.10 C ATOM 207 NE ARG A 14 17.811 -22.667 -2.253 1.00 14.13 N ATOM 208 CZ ARG A 14 18.279 -22.296 -1.066 1.00 73.50 C ATOM 209 NH1 ARG A 14 18.170 -21.036 -0.671 1.00 14.41 N ATOM 210 NH2 ARG A 14 18.857 -23.188 -0.272 1.00 32.43 N ATOM 0 H ARG A 14 13.888 -20.687 -6.681 1.00 52.50 H new ATOM 0 HA ARG A 14 16.245 -22.275 -7.241 1.00 75.02 H new ATOM 0 HB2 ARG A 14 16.306 -20.629 -5.458 1.00 75.04 H new ATOM 0 HB3 ARG A 14 14.873 -21.304 -4.709 1.00 75.04 H new ATOM 0 HG2 ARG A 14 16.070 -23.347 -4.120 1.00 72.34 H new ATOM 0 HG3 ARG A 14 17.484 -22.828 -5.016 1.00 72.34 H new ATOM 0 HD2 ARG A 14 17.868 -20.978 -3.488 1.00 65.10 H new ATOM 0 HD3 ARG A 14 16.333 -21.249 -2.686 1.00 65.10 H new ATOM 0 HE ARG A 14 17.911 -23.644 -2.527 1.00 14.13 H new ATOM 0 HH11 ARG A 14 17.726 -20.348 -1.279 1.00 14.41 H new ATOM 0 HH12 ARG A 14 18.530 -20.754 0.241 1.00 14.41 H new ATOM 0 HH21 ARG A 14 18.942 -24.159 -0.573 1.00 32.43 H new ATOM 0 HH22 ARG A 14 19.216 -22.903 0.639 1.00 32.43 H new ATOM 224 N VAL A 15 13.481 -23.609 -6.064 1.00 54.30 N ATOM 225 CA VAL A 15 12.795 -24.873 -5.822 1.00 1.42 C ATOM 226 C VAL A 15 12.611 -25.655 -7.117 1.00 53.22 C ATOM 227 O VAL A 15 12.493 -26.880 -7.104 1.00 34.33 O ATOM 228 CB VAL A 15 11.418 -24.648 -5.170 1.00 32.01 C ATOM 229 CG1 VAL A 15 10.669 -25.965 -5.036 1.00 61.31 C ATOM 230 CG2 VAL A 15 11.573 -23.974 -3.815 1.00 45.22 C ATOM 0 H VAL A 15 12.890 -22.783 -5.967 1.00 54.30 H new ATOM 0 HA VAL A 15 13.422 -25.448 -5.140 1.00 1.42 H new ATOM 0 HB VAL A 15 10.835 -23.989 -5.813 1.00 32.01 H new ATOM 0 HG11 VAL A 15 9.698 -25.786 -4.573 1.00 61.31 H new ATOM 0 HG12 VAL A 15 10.525 -26.404 -6.023 1.00 61.31 H new ATOM 0 HG13 VAL A 15 11.246 -26.650 -4.415 1.00 61.31 H new ATOM 0 HG21 VAL A 15 10.590 -23.823 -3.369 1.00 45.22 H new ATOM 0 HG22 VAL A 15 12.175 -24.605 -3.161 1.00 45.22 H new ATOM 0 HG23 VAL A 15 12.066 -23.010 -3.942 1.00 45.22 H new ATOM 240 N PHE A 16 12.587 -24.938 -8.236 1.00 62.53 N ATOM 241 CA PHE A 16 12.417 -25.565 -9.542 1.00 33.42 C ATOM 242 C PHE A 16 13.682 -26.310 -9.957 1.00 43.33 C ATOM 243 O PHE A 16 13.634 -27.487 -10.313 1.00 62.23 O ATOM 244 CB PHE A 16 12.062 -24.513 -10.594 1.00 52.21 C ATOM 245 CG PHE A 16 10.586 -24.264 -10.719 1.00 51.10 C ATOM 246 CD1 PHE A 16 9.798 -24.108 -9.590 1.00 3.42 C ATOM 247 CD2 PHE A 16 9.986 -24.186 -11.966 1.00 1.44 C ATOM 248 CE1 PHE A 16 8.440 -23.879 -9.702 1.00 72.31 C ATOM 249 CE2 PHE A 16 8.628 -23.957 -12.084 1.00 41.01 C ATOM 250 CZ PHE A 16 7.854 -23.803 -10.951 1.00 2.43 C ATOM 0 H PHE A 16 12.683 -23.923 -8.265 1.00 62.53 H new ATOM 0 HA PHE A 16 11.601 -26.284 -9.468 1.00 33.42 H new ATOM 0 HB2 PHE A 16 12.560 -23.577 -10.342 1.00 52.21 H new ATOM 0 HB3 PHE A 16 12.452 -24.832 -11.561 1.00 52.21 H new ATOM 0 HD1 PHE A 16 10.251 -24.166 -8.611 1.00 3.42 H new ATOM 0 HD2 PHE A 16 10.586 -24.306 -12.856 1.00 1.44 H new ATOM 0 HE1 PHE A 16 7.837 -23.760 -8.814 1.00 72.31 H new ATOM 0 HE2 PHE A 16 8.173 -23.899 -13.062 1.00 41.01 H new ATOM 0 HZ PHE A 16 6.793 -23.624 -11.041 1.00 2.43 H new ATOM 260 N ASP A 17 14.813 -25.614 -9.910 1.00 11.04 N ATOM 261 CA ASP A 17 16.092 -26.208 -10.280 1.00 43.22 C ATOM 262 C ASP A 17 16.505 -27.280 -9.276 1.00 50.34 C ATOM 263 O ASP A 17 16.444 -27.068 -8.065 1.00 50.10 O ATOM 264 CB ASP A 17 17.173 -25.129 -10.367 1.00 23.31 C ATOM 265 CG ASP A 17 18.051 -25.287 -11.593 1.00 3.13 C ATOM 266 OD1 ASP A 17 18.581 -26.398 -11.805 1.00 3.15 O ATOM 267 OD2 ASP A 17 18.208 -24.300 -12.341 1.00 11.52 O ATOM 0 H ASP A 17 14.870 -24.638 -9.619 1.00 11.04 H new ATOM 0 HA ASP A 17 15.978 -26.677 -11.257 1.00 43.22 H new ATOM 0 HB2 ASP A 17 16.701 -24.147 -10.386 1.00 23.31 H new ATOM 0 HB3 ASP A 17 17.794 -25.167 -9.472 1.00 23.31 H new ATOM 272 N LYS A 18 16.924 -28.432 -9.788 1.00 24.01 N ATOM 273 CA LYS A 18 17.348 -29.538 -8.938 1.00 33.24 C ATOM 274 C LYS A 18 18.598 -29.168 -8.146 1.00 31.42 C ATOM 275 O LYS A 18 18.815 -29.667 -7.041 1.00 55.22 O ATOM 276 CB LYS A 18 17.617 -30.785 -9.784 1.00 1.33 C ATOM 277 CG LYS A 18 18.172 -31.953 -8.987 1.00 0.54 C ATOM 278 CD LYS A 18 18.394 -33.172 -9.865 1.00 60.14 C ATOM 279 CE LYS A 18 18.281 -34.462 -9.068 1.00 34.04 C ATOM 280 NZ LYS A 18 19.158 -35.533 -9.616 1.00 42.34 N ATOM 0 H LYS A 18 16.979 -28.624 -10.788 1.00 24.01 H new ATOM 0 HA LYS A 18 16.544 -29.751 -8.234 1.00 33.24 H new ATOM 0 HB2 LYS A 18 16.690 -31.093 -10.267 1.00 1.33 H new ATOM 0 HB3 LYS A 18 18.320 -30.531 -10.577 1.00 1.33 H new ATOM 0 HG2 LYS A 18 19.114 -31.662 -8.522 1.00 0.54 H new ATOM 0 HG3 LYS A 18 17.483 -32.205 -8.181 1.00 0.54 H new ATOM 0 HD2 LYS A 18 17.663 -33.177 -10.673 1.00 60.14 H new ATOM 0 HD3 LYS A 18 19.379 -33.114 -10.327 1.00 60.14 H new ATOM 0 HE2 LYS A 18 18.548 -34.271 -8.029 1.00 34.04 H new ATOM 0 HE3 LYS A 18 17.246 -34.803 -9.074 1.00 34.04 H new ATOM 0 HZ1 LYS A 18 19.051 -36.395 -9.044 1.00 42.34 H new ATOM 0 HZ2 LYS A 18 18.887 -35.734 -10.600 1.00 42.34 H new ATOM 0 HZ3 LYS A 18 20.149 -35.219 -9.587 1.00 42.34 H new ATOM 327 N GLY A 22 19.990 -21.348 -9.718 1.00 32.40 N ATOM 328 CA GLY A 22 21.093 -21.246 -10.655 1.00 51.34 C ATOM 329 C GLY A 22 20.655 -20.730 -12.012 1.00 31.40 C ATOM 330 O GLY A 22 20.556 -19.521 -12.222 1.00 72.31 O ATOM 0 HA2 GLY A 22 21.854 -20.581 -10.245 1.00 51.34 H new ATOM 0 HA3 GLY A 22 21.556 -22.225 -10.774 1.00 51.34 H new ATOM 334 N TYR A 23 20.394 -21.649 -12.935 1.00 54.35 N ATOM 335 CA TYR A 23 19.968 -21.280 -14.281 1.00 31.45 C ATOM 336 C TYR A 23 18.858 -22.204 -14.773 1.00 20.32 C ATOM 337 O TYR A 23 18.978 -23.428 -14.704 1.00 51.12 O ATOM 338 CB TYR A 23 21.154 -21.331 -15.245 1.00 51.41 C ATOM 339 CG TYR A 23 22.289 -20.410 -14.857 1.00 63.53 C ATOM 340 CD1 TYR A 23 23.166 -20.749 -13.834 1.00 33.21 C ATOM 341 CD2 TYR A 23 22.486 -19.202 -15.515 1.00 70.52 C ATOM 342 CE1 TYR A 23 24.204 -19.911 -13.476 1.00 32.11 C ATOM 343 CE2 TYR A 23 23.522 -18.359 -15.165 1.00 3.21 C ATOM 344 CZ TYR A 23 24.378 -18.717 -14.144 1.00 61.33 C ATOM 345 OH TYR A 23 25.412 -17.880 -13.792 1.00 31.34 O ATOM 0 H TYR A 23 20.470 -22.654 -12.777 1.00 54.35 H new ATOM 0 HA TYR A 23 19.580 -20.262 -14.246 1.00 31.45 H new ATOM 0 HB2 TYR A 23 21.528 -22.354 -15.294 1.00 51.41 H new ATOM 0 HB3 TYR A 23 20.810 -21.069 -16.245 1.00 51.41 H new ATOM 0 HD1 TYR A 23 23.034 -21.684 -13.310 1.00 33.21 H new ATOM 0 HD2 TYR A 23 21.817 -18.918 -16.314 1.00 70.52 H new ATOM 0 HE1 TYR A 23 24.876 -20.189 -12.677 1.00 32.11 H new ATOM 0 HE2 TYR A 23 23.662 -17.424 -15.688 1.00 3.21 H new ATOM 0 HH TYR A 23 25.395 -17.082 -14.360 1.00 31.34 H new ATOM 355 N ILE A 24 17.779 -21.609 -15.269 1.00 71.25 N ATOM 356 CA ILE A 24 16.648 -22.377 -15.775 1.00 61.51 C ATOM 357 C ILE A 24 16.586 -22.327 -17.298 1.00 23.10 C ATOM 358 O ILE A 24 17.300 -21.551 -17.933 1.00 63.42 O ATOM 359 CB ILE A 24 15.315 -21.862 -15.201 1.00 43.42 C ATOM 360 CG1 ILE A 24 15.157 -20.367 -15.486 1.00 54.23 C ATOM 361 CG2 ILE A 24 15.243 -22.132 -13.706 1.00 13.23 C ATOM 362 CD1 ILE A 24 13.949 -20.039 -16.337 1.00 4.33 C ATOM 0 H ILE A 24 17.664 -20.597 -15.331 1.00 71.25 H new ATOM 0 HA ILE A 24 16.798 -23.408 -15.454 1.00 61.51 H new ATOM 0 HB ILE A 24 14.497 -22.394 -15.686 1.00 43.42 H new ATOM 0 HG12 ILE A 24 15.081 -19.831 -14.540 1.00 54.23 H new ATOM 0 HG13 ILE A 24 16.054 -20.004 -15.987 1.00 54.23 H new ATOM 0 HG21 ILE A 24 14.295 -21.762 -13.315 1.00 13.23 H new ATOM 0 HG22 ILE A 24 15.316 -23.205 -13.526 1.00 13.23 H new ATOM 0 HG23 ILE A 24 16.066 -21.623 -13.204 1.00 13.23 H new ATOM 0 HD11 ILE A 24 13.900 -18.962 -16.499 1.00 4.33 H new ATOM 0 HD12 ILE A 24 14.032 -20.547 -17.298 1.00 4.33 H new ATOM 0 HD13 ILE A 24 13.044 -20.371 -15.828 1.00 4.33 H new ATOM 374 N SER A 25 15.726 -23.159 -17.878 1.00 4.43 N ATOM 375 CA SER A 25 15.572 -23.211 -19.327 1.00 1.32 C ATOM 376 C SER A 25 14.332 -22.439 -19.769 1.00 64.21 C ATOM 377 O SER A 25 13.536 -21.996 -18.942 1.00 41.33 O ATOM 378 CB SER A 25 15.478 -24.663 -19.799 1.00 44.20 C ATOM 379 OG SER A 25 16.757 -25.272 -19.831 1.00 64.20 O ATOM 0 H SER A 25 15.126 -23.806 -17.367 1.00 4.43 H new ATOM 0 HA SER A 25 16.448 -22.746 -19.778 1.00 1.32 H new ATOM 0 HB2 SER A 25 14.821 -25.223 -19.133 1.00 44.20 H new ATOM 0 HB3 SER A 25 15.030 -24.698 -20.792 1.00 44.20 H new ATOM 0 HG SER A 25 16.670 -26.200 -20.134 1.00 64.20 H new ATOM 385 N ALA A 26 14.177 -22.283 -21.080 1.00 34.33 N ATOM 386 CA ALA A 26 13.034 -21.568 -21.633 1.00 52.34 C ATOM 387 C ALA A 26 11.730 -22.039 -20.998 1.00 23.32 C ATOM 388 O ALA A 26 10.896 -21.229 -20.595 1.00 45.10 O ATOM 389 CB ALA A 26 12.981 -21.745 -23.144 1.00 3.04 C ATOM 0 H ALA A 26 14.828 -22.642 -21.778 1.00 34.33 H new ATOM 0 HA ALA A 26 13.156 -20.509 -21.406 1.00 52.34 H new ATOM 0 HB1 ALA A 26 12.122 -21.206 -23.544 1.00 3.04 H new ATOM 0 HB2 ALA A 26 13.895 -21.352 -23.589 1.00 3.04 H new ATOM 0 HB3 ALA A 26 12.887 -22.804 -23.383 1.00 3.04 H new ATOM 395 N ALA A 27 11.561 -23.355 -20.912 1.00 3.30 N ATOM 396 CA ALA A 27 10.360 -23.934 -20.324 1.00 54.32 C ATOM 397 C ALA A 27 10.051 -23.301 -18.971 1.00 72.44 C ATOM 398 O ALA A 27 8.999 -22.689 -18.787 1.00 51.35 O ATOM 399 CB ALA A 27 10.515 -25.440 -20.182 1.00 22.54 C ATOM 0 H ALA A 27 12.241 -24.040 -21.242 1.00 3.30 H new ATOM 0 HA ALA A 27 9.523 -23.728 -20.991 1.00 54.32 H new ATOM 0 HB1 ALA A 27 9.610 -25.859 -19.741 1.00 22.54 H new ATOM 0 HB2 ALA A 27 10.679 -25.883 -21.164 1.00 22.54 H new ATOM 0 HB3 ALA A 27 11.367 -25.659 -19.538 1.00 22.54 H new ATOM 405 N ASP A 28 10.973 -23.455 -18.028 1.00 1.43 N ATOM 406 CA ASP A 28 10.799 -22.898 -16.691 1.00 62.10 C ATOM 407 C ASP A 28 10.536 -21.397 -16.757 1.00 44.14 C ATOM 408 O ASP A 28 9.864 -20.835 -15.892 1.00 55.33 O ATOM 409 CB ASP A 28 12.036 -23.174 -15.835 1.00 65.54 C ATOM 410 CG ASP A 28 11.887 -24.423 -14.988 1.00 44.12 C ATOM 411 OD1 ASP A 28 11.065 -25.290 -15.350 1.00 63.20 O ATOM 412 OD2 ASP A 28 12.592 -24.532 -13.963 1.00 22.22 O ATOM 0 H ASP A 28 11.848 -23.961 -18.164 1.00 1.43 H new ATOM 0 HA ASP A 28 9.935 -23.380 -16.234 1.00 62.10 H new ATOM 0 HB2 ASP A 28 12.906 -23.279 -16.483 1.00 65.54 H new ATOM 0 HB3 ASP A 28 12.223 -22.319 -15.186 1.00 65.54 H new ATOM 417 N LEU A 29 11.072 -20.753 -17.788 1.00 41.24 N ATOM 418 CA LEU A 29 10.897 -19.316 -17.968 1.00 14.33 C ATOM 419 C LEU A 29 9.456 -18.986 -18.346 1.00 62.11 C ATOM 420 O LEU A 29 8.792 -18.198 -17.673 1.00 10.12 O ATOM 421 CB LEU A 29 11.851 -18.796 -19.045 1.00 14.14 C ATOM 422 CG LEU A 29 12.102 -17.288 -19.047 1.00 3.30 C ATOM 423 CD1 LEU A 29 12.913 -16.880 -17.826 1.00 53.15 C ATOM 424 CD2 LEU A 29 12.812 -16.868 -20.326 1.00 3.43 C ATOM 0 H LEU A 29 11.632 -21.203 -18.512 1.00 41.24 H new ATOM 0 HA LEU A 29 11.126 -18.826 -17.022 1.00 14.33 H new ATOM 0 HB2 LEU A 29 12.809 -19.303 -18.930 1.00 14.14 H new ATOM 0 HB3 LEU A 29 11.455 -19.080 -20.020 1.00 14.14 H new ATOM 0 HG LEU A 29 11.139 -16.778 -19.005 1.00 3.30 H new ATOM 0 HD11 LEU A 29 13.082 -15.803 -17.845 1.00 53.15 H new ATOM 0 HD12 LEU A 29 12.367 -17.146 -16.921 1.00 53.15 H new ATOM 0 HD13 LEU A 29 13.872 -17.398 -17.837 1.00 53.15 H new ATOM 0 HD21 LEU A 29 12.983 -15.792 -20.311 1.00 3.43 H new ATOM 0 HD22 LEU A 29 13.768 -17.386 -20.398 1.00 3.43 H new ATOM 0 HD23 LEU A 29 12.194 -17.125 -21.186 1.00 3.43 H new ATOM 436 N ARG A 30 8.979 -19.596 -19.426 1.00 62.12 N ATOM 437 CA ARG A 30 7.617 -19.368 -19.893 1.00 61.14 C ATOM 438 C ARG A 30 6.606 -19.685 -18.796 1.00 34.50 C ATOM 439 O ARG A 30 5.550 -19.057 -18.709 1.00 42.11 O ATOM 440 CB ARG A 30 7.330 -20.222 -21.129 1.00 75.54 C ATOM 441 CG ARG A 30 8.193 -19.868 -22.329 1.00 55.33 C ATOM 442 CD ARG A 30 8.520 -21.097 -23.163 1.00 53.40 C ATOM 443 NE ARG A 30 7.854 -21.070 -24.462 1.00 55.34 N ATOM 444 CZ ARG A 30 8.140 -21.907 -25.453 1.00 24.23 C ATOM 445 NH1 ARG A 30 9.076 -22.833 -25.293 1.00 1.24 N ATOM 446 NH2 ARG A 30 7.490 -21.820 -26.606 1.00 63.12 N ATOM 0 H ARG A 30 9.516 -20.252 -19.994 1.00 62.12 H new ATOM 0 HA ARG A 30 7.521 -18.315 -20.157 1.00 61.14 H new ATOM 0 HB2 ARG A 30 7.484 -21.272 -20.879 1.00 75.54 H new ATOM 0 HB3 ARG A 30 6.281 -20.110 -21.401 1.00 75.54 H new ATOM 0 HG2 ARG A 30 7.675 -19.135 -22.947 1.00 55.33 H new ATOM 0 HG3 ARG A 30 9.117 -19.402 -21.989 1.00 55.33 H new ATOM 0 HD2 ARG A 30 9.598 -21.159 -23.310 1.00 53.40 H new ATOM 0 HD3 ARG A 30 8.220 -21.994 -22.620 1.00 53.40 H new ATOM 0 HE ARG A 30 7.129 -20.370 -24.617 1.00 55.34 H new ATOM 0 HH11 ARG A 30 9.578 -22.903 -24.408 1.00 1.24 H new ATOM 0 HH12 ARG A 30 9.294 -23.475 -26.055 1.00 1.24 H new ATOM 0 HH21 ARG A 30 6.769 -21.110 -26.733 1.00 63.12 H new ATOM 0 HH22 ARG A 30 7.711 -22.464 -27.366 1.00 63.12 H new ATOM 460 N HIS A 31 6.935 -20.665 -17.960 1.00 71.20 N ATOM 461 CA HIS A 31 6.055 -21.066 -16.868 1.00 23.22 C ATOM 462 C HIS A 31 5.996 -19.985 -15.793 1.00 24.23 C ATOM 463 O HIS A 31 4.943 -19.397 -15.546 1.00 23.20 O ATOM 464 CB HIS A 31 6.534 -22.384 -16.257 1.00 53.30 C ATOM 465 CG HIS A 31 5.923 -23.595 -16.892 1.00 15.15 C ATOM 466 ND1 HIS A 31 4.632 -24.008 -16.636 1.00 51.13 N ATOM 467 CD2 HIS A 31 6.432 -24.483 -17.777 1.00 21.24 C ATOM 468 CE1 HIS A 31 4.375 -25.099 -17.336 1.00 13.24 C ATOM 469 NE2 HIS A 31 5.451 -25.408 -18.036 1.00 53.14 N ATOM 0 H HIS A 31 7.804 -21.196 -18.018 1.00 71.20 H new ATOM 0 HA HIS A 31 5.053 -21.205 -17.274 1.00 23.22 H new ATOM 0 HB2 HIS A 31 7.619 -22.444 -16.348 1.00 53.30 H new ATOM 0 HB3 HIS A 31 6.303 -22.387 -15.192 1.00 53.30 H new ATOM 0 HD2 HIS A 31 7.425 -24.467 -18.201 1.00 21.24 H new ATOM 0 HE1 HIS A 31 3.443 -25.645 -17.336 1.00 13.24 H new ATOM 0 HE2 HIS A 31 5.539 -26.205 -18.667 1.00 53.14 H new ATOM 477 N VAL A 32 7.134 -19.729 -15.155 1.00 44.43 N ATOM 478 CA VAL A 32 7.212 -18.718 -14.107 1.00 24.41 C ATOM 479 C VAL A 32 6.651 -17.385 -14.586 1.00 51.52 C ATOM 480 O VAL A 32 5.946 -16.696 -13.849 1.00 54.15 O ATOM 481 CB VAL A 32 8.663 -18.512 -13.634 1.00 4.45 C ATOM 482 CG1 VAL A 32 8.716 -17.501 -12.498 1.00 30.11 C ATOM 483 CG2 VAL A 32 9.278 -19.836 -13.208 1.00 65.43 C ATOM 0 H VAL A 32 8.014 -20.208 -15.346 1.00 44.43 H new ATOM 0 HA VAL A 32 6.613 -19.081 -13.272 1.00 24.41 H new ATOM 0 HB VAL A 32 9.245 -18.118 -14.467 1.00 4.45 H new ATOM 0 HG11 VAL A 32 9.749 -17.368 -12.177 1.00 30.11 H new ATOM 0 HG12 VAL A 32 8.317 -16.546 -12.842 1.00 30.11 H new ATOM 0 HG13 VAL A 32 8.119 -17.863 -11.661 1.00 30.11 H new ATOM 0 HG21 VAL A 32 10.303 -19.671 -12.877 1.00 65.43 H new ATOM 0 HG22 VAL A 32 8.696 -20.261 -12.390 1.00 65.43 H new ATOM 0 HG23 VAL A 32 9.276 -20.526 -14.052 1.00 65.43 H new ATOM 493 N MET A 33 6.968 -17.026 -15.826 1.00 64.31 N ATOM 494 CA MET A 33 6.494 -15.775 -16.405 1.00 13.22 C ATOM 495 C MET A 33 4.976 -15.788 -16.558 1.00 0.32 C ATOM 496 O MET A 33 4.279 -14.931 -16.013 1.00 50.11 O ATOM 497 CB MET A 33 7.153 -15.534 -17.764 1.00 70.32 C ATOM 498 CG MET A 33 8.461 -14.765 -17.678 1.00 0.24 C ATOM 499 SD MET A 33 8.740 -13.706 -19.110 1.00 64.22 S ATOM 500 CE MET A 33 10.104 -14.558 -19.900 1.00 12.11 C ATOM 0 H MET A 33 7.551 -17.584 -16.449 1.00 64.31 H new ATOM 0 HA MET A 33 6.767 -14.965 -15.729 1.00 13.22 H new ATOM 0 HB2 MET A 33 7.337 -16.495 -18.245 1.00 70.32 H new ATOM 0 HB3 MET A 33 6.460 -14.986 -18.402 1.00 70.32 H new ATOM 0 HG2 MET A 33 8.461 -14.155 -16.775 1.00 0.24 H new ATOM 0 HG3 MET A 33 9.287 -15.470 -17.586 1.00 0.24 H new ATOM 0 HE1 MET A 33 10.369 -14.043 -20.823 1.00 12.11 H new ATOM 0 HE2 MET A 33 10.964 -14.568 -19.230 1.00 12.11 H new ATOM 0 HE3 MET A 33 9.810 -15.582 -20.128 1.00 12.11 H new ATOM 510 N THR A 34 4.469 -16.765 -17.303 1.00 30.10 N ATOM 511 CA THR A 34 3.034 -16.888 -17.529 1.00 25.42 C ATOM 512 C THR A 34 2.280 -17.021 -16.211 1.00 31.31 C ATOM 513 O THR A 34 1.086 -16.734 -16.137 1.00 31.30 O ATOM 514 CB THR A 34 2.708 -18.103 -18.419 1.00 2.52 C ATOM 515 OG1 THR A 34 3.358 -17.969 -19.687 1.00 45.25 O ATOM 516 CG2 THR A 34 1.207 -18.235 -18.624 1.00 53.12 C ATOM 0 H THR A 34 5.031 -17.483 -17.760 1.00 30.10 H new ATOM 0 HA THR A 34 2.714 -15.978 -18.037 1.00 25.42 H new ATOM 0 HB THR A 34 3.071 -19.001 -17.919 1.00 2.52 H new ATOM 0 HG1 THR A 34 4.295 -18.245 -19.605 1.00 45.25 H new ATOM 0 HG21 THR A 34 1.001 -19.099 -19.255 1.00 53.12 H new ATOM 0 HG22 THR A 34 0.718 -18.366 -17.659 1.00 53.12 H new ATOM 0 HG23 THR A 34 0.825 -17.335 -19.105 1.00 53.12 H new ATOM 524 N ASN A 35 2.985 -17.458 -15.172 1.00 52.41 N ATOM 525 CA ASN A 35 2.381 -17.628 -13.856 1.00 35.32 C ATOM 526 C ASN A 35 2.365 -16.309 -13.089 1.00 63.31 C ATOM 527 O ASN A 35 1.309 -15.835 -12.669 1.00 21.03 O ATOM 528 CB ASN A 35 3.141 -18.687 -13.056 1.00 24.43 C ATOM 529 CG ASN A 35 2.733 -20.099 -13.430 1.00 73.00 C ATOM 530 OD1 ASN A 35 2.357 -20.366 -14.572 1.00 23.44 O ATOM 531 ND2 ASN A 35 2.804 -21.010 -12.467 1.00 32.51 N ATOM 0 H ASN A 35 3.975 -17.701 -15.216 1.00 52.41 H new ATOM 0 HA ASN A 35 1.352 -17.958 -13.997 1.00 35.32 H new ATOM 0 HB2 ASN A 35 4.211 -18.565 -13.222 1.00 24.43 H new ATOM 0 HB3 ASN A 35 2.964 -18.531 -11.992 1.00 24.43 H new ATOM 0 HD21 ASN A 35 2.541 -21.977 -12.659 1.00 32.51 H new ATOM 0 HD22 ASN A 35 3.121 -20.743 -11.535 1.00 32.51 H new ATOM 538 N LEU A 36 3.543 -15.721 -12.911 1.00 61.41 N ATOM 539 CA LEU A 36 3.666 -14.456 -12.196 1.00 23.15 C ATOM 540 C LEU A 36 2.702 -13.416 -12.758 1.00 63.30 C ATOM 541 O LEU A 36 2.321 -13.476 -13.926 1.00 61.12 O ATOM 542 CB LEU A 36 5.102 -13.936 -12.282 1.00 23.40 C ATOM 543 CG LEU A 36 5.978 -14.176 -11.052 1.00 22.42 C ATOM 544 CD1 LEU A 36 5.356 -13.536 -9.821 1.00 3.14 C ATOM 545 CD2 LEU A 36 6.190 -15.667 -10.830 1.00 51.05 C ATOM 0 H LEU A 36 4.426 -16.100 -13.252 1.00 61.41 H new ATOM 0 HA LEU A 36 3.412 -14.632 -11.151 1.00 23.15 H new ATOM 0 HB2 LEU A 36 5.584 -14.400 -13.143 1.00 23.40 H new ATOM 0 HB3 LEU A 36 5.068 -12.864 -12.475 1.00 23.40 H new ATOM 0 HG LEU A 36 6.949 -13.713 -11.226 1.00 22.42 H new ATOM 0 HD11 LEU A 36 5.993 -13.717 -8.955 1.00 3.14 H new ATOM 0 HD12 LEU A 36 5.257 -12.462 -9.980 1.00 3.14 H new ATOM 0 HD13 LEU A 36 4.372 -13.969 -9.644 1.00 3.14 H new ATOM 0 HD21 LEU A 36 6.816 -15.819 -9.950 1.00 51.05 H new ATOM 0 HD22 LEU A 36 5.226 -16.153 -10.678 1.00 51.05 H new ATOM 0 HD23 LEU A 36 6.680 -16.099 -11.703 1.00 51.05 H new ATOM 557 N GLY A 37 2.313 -12.462 -11.918 1.00 44.42 N ATOM 558 CA GLY A 37 1.399 -11.421 -12.350 1.00 41.24 C ATOM 559 C GLY A 37 1.863 -10.731 -13.618 1.00 70.30 C ATOM 560 O GLY A 37 2.925 -10.111 -13.641 1.00 4.11 O ATOM 0 H GLY A 37 2.614 -12.391 -10.946 1.00 44.42 H new ATOM 0 HA2 GLY A 37 0.412 -11.854 -12.516 1.00 41.24 H new ATOM 0 HA3 GLY A 37 1.293 -10.682 -11.556 1.00 41.24 H new ATOM 564 N GLU A 38 1.065 -10.841 -14.676 1.00 22.33 N ATOM 565 CA GLU A 38 1.402 -10.225 -15.953 1.00 44.15 C ATOM 566 C GLU A 38 0.289 -10.444 -16.974 1.00 22.21 C ATOM 567 O GLU A 38 0.159 -11.527 -17.545 1.00 40.03 O ATOM 568 CB GLU A 38 2.718 -10.794 -16.488 1.00 4.11 C ATOM 569 CG GLU A 38 3.795 -9.742 -16.700 1.00 33.44 C ATOM 570 CD GLU A 38 5.195 -10.299 -16.530 1.00 1.41 C ATOM 571 OE1 GLU A 38 5.643 -10.436 -15.373 1.00 22.34 O ATOM 572 OE2 GLU A 38 5.843 -10.596 -17.555 1.00 73.55 O ATOM 0 H GLU A 38 0.181 -11.351 -14.673 1.00 22.33 H new ATOM 0 HA GLU A 38 1.517 -9.153 -15.790 1.00 44.15 H new ATOM 0 HB2 GLU A 38 3.089 -11.546 -15.791 1.00 4.11 H new ATOM 0 HB3 GLU A 38 2.527 -11.302 -17.433 1.00 4.11 H new ATOM 0 HG2 GLU A 38 3.694 -9.321 -17.700 1.00 33.44 H new ATOM 0 HG3 GLU A 38 3.644 -8.926 -15.994 1.00 33.44 H new ATOM 579 N LYS A 39 -0.513 -9.408 -17.198 1.00 24.54 N ATOM 580 CA LYS A 39 -1.615 -9.485 -18.149 1.00 21.11 C ATOM 581 C LYS A 39 -1.105 -9.372 -19.582 1.00 75.43 C ATOM 582 O LYS A 39 -1.084 -8.285 -20.161 1.00 24.15 O ATOM 583 CB LYS A 39 -2.634 -8.378 -17.870 1.00 71.11 C ATOM 584 CG LYS A 39 -4.010 -8.657 -18.451 1.00 24.43 C ATOM 585 CD LYS A 39 -5.100 -8.496 -17.405 1.00 23.25 C ATOM 586 CE LYS A 39 -6.415 -8.063 -18.033 1.00 34.03 C ATOM 587 NZ LYS A 39 -7.327 -7.437 -17.035 1.00 44.43 N ATOM 0 H LYS A 39 -0.420 -8.505 -16.733 1.00 24.54 H new ATOM 0 HA LYS A 39 -2.099 -10.454 -18.030 1.00 21.11 H new ATOM 0 HB2 LYS A 39 -2.725 -8.242 -16.792 1.00 71.11 H new ATOM 0 HB3 LYS A 39 -2.260 -7.440 -18.279 1.00 71.11 H new ATOM 0 HG2 LYS A 39 -4.199 -7.978 -19.283 1.00 24.43 H new ATOM 0 HG3 LYS A 39 -4.037 -9.670 -18.854 1.00 24.43 H new ATOM 0 HD2 LYS A 39 -5.241 -9.439 -16.877 1.00 23.25 H new ATOM 0 HD3 LYS A 39 -4.789 -7.759 -16.664 1.00 23.25 H new ATOM 0 HE2 LYS A 39 -6.217 -7.355 -18.838 1.00 34.03 H new ATOM 0 HE3 LYS A 39 -6.905 -8.927 -18.481 1.00 34.03 H new ATOM 0 HZ1 LYS A 39 -8.212 -7.156 -17.502 1.00 44.43 H new ATOM 0 HZ2 LYS A 39 -7.536 -8.120 -16.279 1.00 44.43 H new ATOM 0 HZ3 LYS A 39 -6.870 -6.597 -16.626 1.00 44.43 H new ATOM 601 N LEU A 40 -0.698 -10.502 -20.151 1.00 10.22 N ATOM 602 CA LEU A 40 -0.190 -10.530 -21.518 1.00 72.11 C ATOM 603 C LEU A 40 -0.608 -11.814 -22.228 1.00 12.12 C ATOM 604 O LEU A 40 -1.214 -12.701 -21.625 1.00 41.13 O ATOM 605 CB LEU A 40 1.335 -10.406 -21.519 1.00 75.44 C ATOM 606 CG LEU A 40 2.064 -11.088 -20.361 1.00 62.03 C ATOM 607 CD1 LEU A 40 1.674 -12.555 -20.274 1.00 60.33 C ATOM 608 CD2 LEU A 40 3.571 -10.943 -20.521 1.00 74.42 C ATOM 0 H LEU A 40 -0.710 -11.410 -19.687 1.00 10.22 H new ATOM 0 HA LEU A 40 -0.617 -9.684 -22.056 1.00 72.11 H new ATOM 0 HB2 LEU A 40 1.713 -10.820 -22.454 1.00 75.44 H new ATOM 0 HB3 LEU A 40 1.594 -9.347 -21.512 1.00 75.44 H new ATOM 0 HG LEU A 40 1.768 -10.600 -19.432 1.00 62.03 H new ATOM 0 HD11 LEU A 40 2.203 -13.023 -19.444 1.00 60.33 H new ATOM 0 HD12 LEU A 40 0.599 -12.637 -20.112 1.00 60.33 H new ATOM 0 HD13 LEU A 40 1.940 -13.058 -21.204 1.00 60.33 H new ATOM 0 HD21 LEU A 40 4.074 -11.434 -19.688 1.00 74.42 H new ATOM 0 HD22 LEU A 40 3.884 -11.405 -21.457 1.00 74.42 H new ATOM 0 HD23 LEU A 40 3.836 -9.886 -20.532 1.00 74.42 H new ATOM 620 N THR A 41 -0.279 -11.908 -23.512 1.00 60.24 N ATOM 621 CA THR A 41 -0.619 -13.084 -24.304 1.00 41.53 C ATOM 622 C THR A 41 0.633 -13.845 -24.724 1.00 3.05 C ATOM 623 O THR A 41 1.753 -13.368 -24.537 1.00 31.33 O ATOM 624 CB THR A 41 -1.419 -12.700 -25.564 1.00 23.33 C ATOM 625 OG1 THR A 41 -0.630 -11.852 -26.405 1.00 51.35 O ATOM 626 CG2 THR A 41 -2.711 -11.991 -25.189 1.00 34.31 C ATOM 0 H THR A 41 0.223 -11.184 -24.026 1.00 60.24 H new ATOM 0 HA THR A 41 -1.235 -13.724 -23.672 1.00 41.53 H new ATOM 0 HB THR A 41 -1.668 -13.614 -26.102 1.00 23.33 H new ATOM 0 HG1 THR A 41 -1.145 -11.614 -27.204 1.00 51.35 H new ATOM 0 HG21 THR A 41 -3.259 -11.730 -26.094 1.00 34.31 H new ATOM 0 HG22 THR A 41 -3.322 -12.650 -24.573 1.00 34.31 H new ATOM 0 HG23 THR A 41 -2.479 -11.084 -24.631 1.00 34.31 H new ATOM 634 N ASP A 42 0.437 -15.030 -25.291 1.00 41.24 N ATOM 635 CA ASP A 42 1.552 -15.857 -25.739 1.00 55.02 C ATOM 636 C ASP A 42 2.469 -15.074 -26.673 1.00 11.40 C ATOM 637 O ASP A 42 3.682 -15.281 -26.684 1.00 73.11 O ATOM 638 CB ASP A 42 1.033 -17.110 -26.447 1.00 15.33 C ATOM 639 CG ASP A 42 1.875 -18.334 -26.148 1.00 34.45 C ATOM 640 OD1 ASP A 42 2.927 -18.505 -26.798 1.00 50.33 O ATOM 641 OD2 ASP A 42 1.482 -19.122 -25.262 1.00 33.10 O ATOM 0 H ASP A 42 -0.483 -15.440 -25.451 1.00 41.24 H new ATOM 0 HA ASP A 42 2.126 -16.155 -24.862 1.00 55.02 H new ATOM 0 HB2 ASP A 42 0.004 -17.297 -26.141 1.00 15.33 H new ATOM 0 HB3 ASP A 42 1.019 -16.936 -27.523 1.00 15.33 H new ATOM 646 N GLU A 43 1.880 -14.174 -27.455 1.00 64.12 N ATOM 647 CA GLU A 43 2.646 -13.362 -28.394 1.00 14.44 C ATOM 648 C GLU A 43 3.531 -12.363 -27.653 1.00 32.31 C ATOM 649 O GLU A 43 4.667 -12.111 -28.052 1.00 70.11 O ATOM 650 CB GLU A 43 1.705 -12.618 -29.344 1.00 73.31 C ATOM 651 CG GLU A 43 2.332 -12.291 -30.689 1.00 11.02 C ATOM 652 CD GLU A 43 2.183 -13.418 -31.692 1.00 31.30 C ATOM 653 OE1 GLU A 43 1.043 -13.675 -32.132 1.00 51.31 O ATOM 654 OE2 GLU A 43 3.207 -14.044 -32.037 1.00 4.11 O ATOM 0 H GLU A 43 0.877 -13.989 -27.457 1.00 64.12 H new ATOM 0 HA GLU A 43 3.285 -14.028 -28.974 1.00 14.44 H new ATOM 0 HB2 GLU A 43 0.813 -13.223 -29.506 1.00 73.31 H new ATOM 0 HB3 GLU A 43 1.380 -11.692 -28.869 1.00 73.31 H new ATOM 0 HG2 GLU A 43 1.871 -11.389 -31.091 1.00 11.02 H new ATOM 0 HG3 GLU A 43 3.391 -12.072 -30.549 1.00 11.02 H new ATOM 661 N GLU A 44 3.000 -11.799 -26.573 1.00 3.34 N ATOM 662 CA GLU A 44 3.742 -10.827 -25.777 1.00 74.11 C ATOM 663 C GLU A 44 4.899 -11.496 -25.042 1.00 5.01 C ATOM 664 O GLU A 44 5.972 -10.911 -24.887 1.00 32.30 O ATOM 665 CB GLU A 44 2.813 -10.142 -24.772 1.00 73.35 C ATOM 666 CG GLU A 44 2.758 -8.632 -24.926 1.00 55.42 C ATOM 667 CD GLU A 44 1.738 -8.187 -25.957 1.00 10.02 C ATOM 668 OE1 GLU A 44 0.597 -8.694 -25.919 1.00 22.10 O ATOM 669 OE2 GLU A 44 2.080 -7.333 -26.801 1.00 3.22 O ATOM 0 H GLU A 44 2.060 -11.998 -26.229 1.00 3.34 H new ATOM 0 HA GLU A 44 4.150 -10.076 -26.454 1.00 74.11 H new ATOM 0 HB2 GLU A 44 1.807 -10.547 -24.885 1.00 73.35 H new ATOM 0 HB3 GLU A 44 3.143 -10.384 -23.762 1.00 73.35 H new ATOM 0 HG2 GLU A 44 2.517 -8.181 -23.963 1.00 55.42 H new ATOM 0 HG3 GLU A 44 3.743 -8.264 -25.213 1.00 55.42 H new ATOM 676 N VAL A 45 4.674 -12.726 -24.590 1.00 45.31 N ATOM 677 CA VAL A 45 5.698 -13.475 -23.871 1.00 71.45 C ATOM 678 C VAL A 45 6.872 -13.815 -24.783 1.00 33.40 C ATOM 679 O VAL A 45 8.030 -13.752 -24.370 1.00 51.25 O ATOM 680 CB VAL A 45 5.128 -14.778 -23.279 1.00 53.05 C ATOM 681 CG1 VAL A 45 6.153 -15.449 -22.378 1.00 41.14 C ATOM 682 CG2 VAL A 45 3.840 -14.498 -22.520 1.00 31.34 C ATOM 0 H VAL A 45 3.792 -13.225 -24.709 1.00 45.31 H new ATOM 0 HA VAL A 45 6.046 -12.837 -23.059 1.00 71.45 H new ATOM 0 HB VAL A 45 4.900 -15.460 -24.098 1.00 53.05 H new ATOM 0 HG11 VAL A 45 5.732 -16.368 -21.969 1.00 41.14 H new ATOM 0 HG12 VAL A 45 7.046 -15.685 -22.956 1.00 41.14 H new ATOM 0 HG13 VAL A 45 6.416 -14.776 -21.562 1.00 41.14 H new ATOM 0 HG21 VAL A 45 3.451 -15.429 -22.108 1.00 31.34 H new ATOM 0 HG22 VAL A 45 4.041 -13.798 -21.709 1.00 31.34 H new ATOM 0 HG23 VAL A 45 3.105 -14.066 -23.198 1.00 31.34 H new ATOM 692 N ASP A 46 6.565 -14.176 -26.024 1.00 54.00 N ATOM 693 CA ASP A 46 7.594 -14.525 -26.996 1.00 4.11 C ATOM 694 C ASP A 46 8.649 -13.427 -27.088 1.00 40.51 C ATOM 695 O ASP A 46 9.844 -13.707 -27.178 1.00 12.13 O ATOM 696 CB ASP A 46 6.968 -14.764 -28.371 1.00 22.44 C ATOM 697 CG ASP A 46 7.813 -15.674 -29.241 1.00 32.11 C ATOM 698 OD1 ASP A 46 8.772 -15.174 -29.865 1.00 31.50 O ATOM 699 OD2 ASP A 46 7.514 -16.886 -29.299 1.00 1.52 O ATOM 0 H ASP A 46 5.611 -14.235 -26.381 1.00 54.00 H new ATOM 0 HA ASP A 46 8.078 -15.443 -26.662 1.00 4.11 H new ATOM 0 HB2 ASP A 46 5.978 -15.203 -28.245 1.00 22.44 H new ATOM 0 HB3 ASP A 46 6.831 -13.808 -28.876 1.00 22.44 H new ATOM 704 N GLU A 47 8.198 -12.176 -27.066 1.00 73.34 N ATOM 705 CA GLU A 47 9.103 -11.036 -27.150 1.00 23.45 C ATOM 706 C GLU A 47 9.781 -10.781 -25.806 1.00 63.05 C ATOM 707 O GLU A 47 10.893 -10.257 -25.751 1.00 23.05 O ATOM 708 CB GLU A 47 8.344 -9.785 -27.596 1.00 62.22 C ATOM 709 CG GLU A 47 9.046 -9.008 -28.697 1.00 61.01 C ATOM 710 CD GLU A 47 8.159 -8.777 -29.905 1.00 31.20 C ATOM 711 OE1 GLU A 47 7.482 -9.734 -30.336 1.00 41.22 O ATOM 712 OE2 GLU A 47 8.142 -7.639 -30.419 1.00 14.13 O ATOM 0 H GLU A 47 7.212 -11.927 -26.991 1.00 73.34 H new ATOM 0 HA GLU A 47 9.871 -11.268 -27.888 1.00 23.45 H new ATOM 0 HB2 GLU A 47 7.353 -10.076 -27.944 1.00 62.22 H new ATOM 0 HB3 GLU A 47 8.201 -9.131 -26.736 1.00 62.22 H new ATOM 0 HG2 GLU A 47 9.376 -8.046 -28.304 1.00 61.01 H new ATOM 0 HG3 GLU A 47 9.940 -9.550 -29.006 1.00 61.01 H new ATOM 719 N MET A 48 9.102 -11.155 -24.727 1.00 2.10 N ATOM 720 CA MET A 48 9.639 -10.967 -23.384 1.00 72.11 C ATOM 721 C MET A 48 10.873 -11.836 -23.165 1.00 70.43 C ATOM 722 O MET A 48 11.847 -11.404 -22.548 1.00 53.42 O ATOM 723 CB MET A 48 8.575 -11.298 -22.336 1.00 31.33 C ATOM 724 CG MET A 48 7.966 -10.070 -21.679 1.00 74.21 C ATOM 725 SD MET A 48 9.135 -9.195 -20.622 1.00 23.41 S ATOM 726 CE MET A 48 9.254 -10.328 -19.239 1.00 41.51 C ATOM 0 H MET A 48 8.180 -11.590 -24.756 1.00 2.10 H new ATOM 0 HA MET A 48 9.930 -9.922 -23.279 1.00 72.11 H new ATOM 0 HB2 MET A 48 7.782 -11.879 -22.806 1.00 31.33 H new ATOM 0 HB3 MET A 48 9.019 -11.929 -21.566 1.00 31.33 H new ATOM 0 HG2 MET A 48 7.603 -9.392 -22.451 1.00 74.21 H new ATOM 0 HG3 MET A 48 7.102 -10.371 -21.087 1.00 74.21 H new ATOM 0 HE1 MET A 48 9.534 -9.778 -18.341 1.00 41.51 H new ATOM 0 HE2 MET A 48 8.290 -10.813 -19.082 1.00 41.51 H new ATOM 0 HE3 MET A 48 10.010 -11.084 -19.452 1.00 41.51 H new ATOM 736 N ILE A 49 10.825 -13.063 -23.674 1.00 50.10 N ATOM 737 CA ILE A 49 11.940 -13.992 -23.534 1.00 52.53 C ATOM 738 C ILE A 49 13.118 -13.571 -24.406 1.00 71.35 C ATOM 739 O ILE A 49 14.271 -13.868 -24.094 1.00 63.04 O ATOM 740 CB ILE A 49 11.526 -15.428 -23.907 1.00 3.43 C ATOM 741 CG1 ILE A 49 10.291 -15.849 -23.109 1.00 14.01 C ATOM 742 CG2 ILE A 49 12.677 -16.391 -23.659 1.00 63.22 C ATOM 743 CD1 ILE A 49 9.698 -17.165 -23.563 1.00 1.42 C ATOM 0 H ILE A 49 10.026 -13.437 -24.187 1.00 50.10 H new ATOM 0 HA ILE A 49 12.240 -13.970 -22.486 1.00 52.53 H new ATOM 0 HB ILE A 49 11.277 -15.455 -24.968 1.00 3.43 H new ATOM 0 HG12 ILE A 49 10.558 -15.924 -22.055 1.00 14.01 H new ATOM 0 HG13 ILE A 49 9.533 -15.070 -23.191 1.00 14.01 H new ATOM 0 HG21 ILE A 49 12.370 -17.402 -23.927 1.00 63.22 H new ATOM 0 HG22 ILE A 49 13.533 -16.099 -24.267 1.00 63.22 H new ATOM 0 HG23 ILE A 49 12.954 -16.363 -22.605 1.00 63.22 H new ATOM 0 HD11 ILE A 49 8.826 -17.401 -22.953 1.00 1.42 H new ATOM 0 HD12 ILE A 49 9.400 -17.088 -24.609 1.00 1.42 H new ATOM 0 HD13 ILE A 49 10.441 -17.955 -23.455 1.00 1.42 H new ATOM 755 N ARG A 50 12.820 -12.877 -25.500 1.00 33.30 N ATOM 756 CA ARG A 50 13.854 -12.415 -26.417 1.00 63.24 C ATOM 757 C ARG A 50 14.853 -11.512 -25.700 1.00 24.41 C ATOM 758 O ARG A 50 16.056 -11.578 -25.953 1.00 12.30 O ATOM 759 CB ARG A 50 13.225 -11.665 -27.593 1.00 3.01 C ATOM 760 CG ARG A 50 14.014 -11.789 -28.886 1.00 53.24 C ATOM 761 CD ARG A 50 14.994 -10.638 -29.054 1.00 34.10 C ATOM 762 NE ARG A 50 14.970 -10.092 -30.408 1.00 63.24 N ATOM 763 CZ ARG A 50 13.977 -9.349 -30.884 1.00 65.02 C ATOM 764 NH1 ARG A 50 12.933 -9.064 -30.119 1.00 74.33 N ATOM 765 NH2 ARG A 50 14.029 -8.888 -32.128 1.00 32.54 N ATOM 0 H ARG A 50 11.871 -12.623 -25.772 1.00 33.30 H new ATOM 0 HA ARG A 50 14.386 -13.288 -26.794 1.00 63.24 H new ATOM 0 HB2 ARG A 50 12.215 -12.043 -27.756 1.00 3.01 H new ATOM 0 HB3 ARG A 50 13.133 -10.610 -27.333 1.00 3.01 H new ATOM 0 HG2 ARG A 50 14.557 -12.734 -28.893 1.00 53.24 H new ATOM 0 HG3 ARG A 50 13.327 -11.810 -29.732 1.00 53.24 H new ATOM 0 HD2 ARG A 50 14.753 -9.850 -28.341 1.00 34.10 H new ATOM 0 HD3 ARG A 50 16.001 -10.982 -28.820 1.00 34.10 H new ATOM 0 HE ARG A 50 15.759 -10.292 -31.022 1.00 63.24 H new ATOM 0 HH11 ARG A 50 12.891 -9.415 -29.162 1.00 74.33 H new ATOM 0 HH12 ARG A 50 12.172 -8.493 -30.487 1.00 74.33 H new ATOM 0 HH21 ARG A 50 14.832 -9.104 -32.719 1.00 32.54 H new ATOM 0 HH22 ARG A 50 13.266 -8.318 -32.493 1.00 32.54 H new ATOM 779 N GLU A 51 14.346 -10.671 -24.805 1.00 0.43 N ATOM 780 CA GLU A 51 15.195 -9.754 -24.052 1.00 75.12 C ATOM 781 C GLU A 51 15.891 -10.477 -22.903 1.00 0.12 C ATOM 782 O GLU A 51 17.112 -10.413 -22.764 1.00 41.34 O ATOM 783 CB GLU A 51 14.367 -8.588 -23.509 1.00 11.53 C ATOM 784 CG GLU A 51 14.997 -7.227 -23.756 1.00 32.12 C ATOM 785 CD GLU A 51 15.319 -6.491 -22.470 1.00 14.13 C ATOM 786 OE1 GLU A 51 14.387 -5.928 -21.858 1.00 74.14 O ATOM 787 OE2 GLU A 51 16.503 -6.478 -22.075 1.00 24.33 O ATOM 0 H GLU A 51 13.353 -10.605 -24.583 1.00 0.43 H new ATOM 0 HA GLU A 51 15.957 -9.366 -24.728 1.00 75.12 H new ATOM 0 HB2 GLU A 51 13.379 -8.610 -23.968 1.00 11.53 H new ATOM 0 HB3 GLU A 51 14.223 -8.723 -22.437 1.00 11.53 H new ATOM 0 HG2 GLU A 51 15.911 -7.354 -24.336 1.00 32.12 H new ATOM 0 HG3 GLU A 51 14.319 -6.621 -24.357 1.00 32.12 H new ATOM 794 N ALA A 52 15.105 -11.164 -22.081 1.00 13.14 N ATOM 795 CA ALA A 52 15.645 -11.900 -20.944 1.00 52.13 C ATOM 796 C ALA A 52 16.735 -12.870 -21.387 1.00 5.54 C ATOM 797 O ALA A 52 17.871 -12.798 -20.917 1.00 1.53 O ATOM 798 CB ALA A 52 14.533 -12.647 -20.223 1.00 11.34 C ATOM 0 H ALA A 52 14.092 -11.226 -22.181 1.00 13.14 H new ATOM 0 HA ALA A 52 16.091 -11.182 -20.256 1.00 52.13 H new ATOM 0 HB1 ALA A 52 14.950 -13.192 -19.376 1.00 11.34 H new ATOM 0 HB2 ALA A 52 13.789 -11.935 -19.865 1.00 11.34 H new ATOM 0 HB3 ALA A 52 14.062 -13.350 -20.910 1.00 11.34 H new ATOM 804 N ASP A 53 16.383 -13.776 -22.292 1.00 3.23 N ATOM 805 CA ASP A 53 17.333 -14.760 -22.798 1.00 32.23 C ATOM 806 C ASP A 53 18.349 -14.106 -23.729 1.00 73.43 C ATOM 807 O ASP A 53 18.267 -12.911 -24.012 1.00 13.33 O ATOM 808 CB ASP A 53 16.595 -15.881 -23.533 1.00 5.43 C ATOM 809 CG ASP A 53 17.247 -17.234 -23.328 1.00 21.12 C ATOM 810 OD1 ASP A 53 18.406 -17.270 -22.865 1.00 30.14 O ATOM 811 OD2 ASP A 53 16.598 -18.257 -23.632 1.00 24.44 O ATOM 0 H ASP A 53 15.447 -13.850 -22.690 1.00 3.23 H new ATOM 0 HA ASP A 53 17.868 -15.184 -21.948 1.00 32.23 H new ATOM 0 HB2 ASP A 53 15.563 -15.922 -23.185 1.00 5.43 H new ATOM 0 HB3 ASP A 53 16.563 -15.654 -24.599 1.00 5.43 H new ATOM 866 N GLY A 58 18.191 -19.964 -25.855 1.00 22.11 N ATOM 867 CA GLY A 58 19.330 -20.156 -24.975 1.00 55.14 C ATOM 868 C GLY A 58 18.917 -20.384 -23.535 1.00 2.13 C ATOM 869 O GLY A 58 17.981 -21.135 -23.263 1.00 24.45 O ATOM 0 HA2 GLY A 58 19.914 -21.009 -25.322 1.00 55.14 H new ATOM 0 HA3 GLY A 58 19.979 -19.282 -25.030 1.00 55.14 H new ATOM 873 N GLN A 59 19.618 -19.735 -22.610 1.00 61.24 N ATOM 874 CA GLN A 59 19.320 -19.874 -21.190 1.00 4.42 C ATOM 875 C GLN A 59 19.310 -18.513 -20.501 1.00 14.02 C ATOM 876 O GLN A 59 20.116 -17.638 -20.818 1.00 74.34 O ATOM 877 CB GLN A 59 20.345 -20.790 -20.519 1.00 43.12 C ATOM 878 CG GLN A 59 19.871 -22.227 -20.370 1.00 2.52 C ATOM 879 CD GLN A 59 21.017 -23.206 -20.209 1.00 43.42 C ATOM 880 OE1 GLN A 59 21.422 -23.867 -21.165 1.00 65.34 O ATOM 881 NE2 GLN A 59 21.547 -23.303 -18.996 1.00 22.25 N ATOM 0 H GLN A 59 20.395 -19.109 -22.819 1.00 61.24 H new ATOM 0 HA GLN A 59 18.329 -20.318 -21.094 1.00 4.42 H new ATOM 0 HB2 GLN A 59 21.266 -20.779 -21.101 1.00 43.12 H new ATOM 0 HB3 GLN A 59 20.586 -20.392 -19.533 1.00 43.12 H new ATOM 0 HG2 GLN A 59 19.212 -22.300 -19.505 1.00 2.52 H new ATOM 0 HG3 GLN A 59 19.282 -22.504 -21.244 1.00 2.52 H new ATOM 0 HE21 GLN A 59 21.180 -22.736 -18.232 1.00 22.25 H new ATOM 0 HE22 GLN A 59 22.322 -23.945 -18.828 1.00 22.25 H new ATOM 890 N VAL A 60 18.391 -18.341 -19.556 1.00 13.12 N ATOM 891 CA VAL A 60 18.275 -17.087 -18.821 1.00 42.21 C ATOM 892 C VAL A 60 19.046 -17.147 -17.507 1.00 41.22 C ATOM 893 O VAL A 60 19.114 -18.193 -16.863 1.00 10.51 O ATOM 894 CB VAL A 60 16.803 -16.743 -18.525 1.00 23.42 C ATOM 895 CG1 VAL A 60 16.690 -15.348 -17.929 1.00 73.43 C ATOM 896 CG2 VAL A 60 15.964 -16.863 -19.788 1.00 1.20 C ATOM 0 H VAL A 60 17.716 -19.055 -19.281 1.00 13.12 H new ATOM 0 HA VAL A 60 18.701 -16.309 -19.454 1.00 42.21 H new ATOM 0 HB VAL A 60 16.421 -17.456 -17.794 1.00 23.42 H new ATOM 0 HG11 VAL A 60 15.643 -15.123 -17.727 1.00 73.43 H new ATOM 0 HG12 VAL A 60 17.257 -15.302 -16.999 1.00 73.43 H new ATOM 0 HG13 VAL A 60 17.089 -14.618 -18.633 1.00 73.43 H new ATOM 0 HG21 VAL A 60 14.927 -16.617 -19.561 1.00 1.20 H new ATOM 0 HG22 VAL A 60 16.343 -16.175 -20.544 1.00 1.20 H new ATOM 0 HG23 VAL A 60 16.020 -17.884 -20.166 1.00 1.20 H new ATOM 906 N ASN A 61 19.626 -16.017 -17.115 1.00 54.34 N ATOM 907 CA ASN A 61 20.393 -15.940 -15.877 1.00 75.32 C ATOM 908 C ASN A 61 19.498 -15.545 -14.707 1.00 13.44 C ATOM 909 O ASN A 61 18.658 -14.652 -14.828 1.00 32.54 O ATOM 910 CB ASN A 61 21.536 -14.934 -16.022 1.00 60.25 C ATOM 911 CG ASN A 61 22.666 -15.464 -16.883 1.00 44.15 C ATOM 912 OD1 ASN A 61 22.460 -16.328 -17.736 1.00 11.12 O ATOM 913 ND2 ASN A 61 23.870 -14.947 -16.664 1.00 13.04 N ATOM 0 H ASN A 61 19.579 -15.142 -17.637 1.00 54.34 H new ATOM 0 HA ASN A 61 20.810 -16.927 -15.675 1.00 75.32 H new ATOM 0 HB2 ASN A 61 21.152 -14.012 -16.458 1.00 60.25 H new ATOM 0 HB3 ASN A 61 21.922 -14.682 -15.034 1.00 60.25 H new ATOM 0 HD21 ASN A 61 24.669 -15.264 -17.213 1.00 13.04 H new ATOM 0 HD22 ASN A 61 23.996 -14.233 -15.947 1.00 13.04 H new ATOM 920 N TYR A 62 19.684 -16.214 -13.574 1.00 41.43 N ATOM 921 CA TYR A 62 18.893 -15.934 -12.382 1.00 50.40 C ATOM 922 C TYR A 62 18.957 -14.452 -12.021 1.00 74.55 C ATOM 923 O TYR A 62 17.944 -13.843 -11.678 1.00 45.43 O ATOM 924 CB TYR A 62 19.388 -16.778 -11.206 1.00 54.23 C ATOM 925 CG TYR A 62 18.856 -16.321 -9.867 1.00 34.03 C ATOM 926 CD1 TYR A 62 17.492 -16.321 -9.602 1.00 53.51 C ATOM 927 CD2 TYR A 62 19.717 -15.891 -8.865 1.00 43.11 C ATOM 928 CE1 TYR A 62 17.001 -15.903 -8.380 1.00 24.31 C ATOM 929 CE2 TYR A 62 19.236 -15.473 -7.639 1.00 70.34 C ATOM 930 CZ TYR A 62 17.877 -15.481 -7.402 1.00 3.12 C ATOM 931 OH TYR A 62 17.393 -15.066 -6.182 1.00 51.15 O ATOM 0 H TYR A 62 20.376 -16.954 -13.456 1.00 41.43 H new ATOM 0 HA TYR A 62 17.856 -16.193 -12.596 1.00 50.40 H new ATOM 0 HB2 TYR A 62 19.098 -17.816 -11.367 1.00 54.23 H new ATOM 0 HB3 TYR A 62 20.477 -16.751 -11.183 1.00 54.23 H new ATOM 0 HD1 TYR A 62 16.803 -16.654 -10.365 1.00 53.51 H new ATOM 0 HD2 TYR A 62 20.781 -15.883 -9.048 1.00 43.11 H new ATOM 0 HE1 TYR A 62 15.938 -15.907 -8.192 1.00 24.31 H new ATOM 0 HE2 TYR A 62 19.920 -15.142 -6.871 1.00 70.34 H new ATOM 0 HH TYR A 62 18.141 -14.802 -5.606 1.00 51.15 H new ATOM 941 N GLU A 63 20.154 -13.881 -12.103 1.00 62.20 N ATOM 942 CA GLU A 63 20.351 -12.472 -11.785 1.00 54.43 C ATOM 943 C GLU A 63 19.549 -11.584 -12.732 1.00 53.44 C ATOM 944 O GLU A 63 18.833 -10.681 -12.297 1.00 70.15 O ATOM 945 CB GLU A 63 21.835 -12.110 -11.864 1.00 63.22 C ATOM 946 CG GLU A 63 22.562 -12.228 -10.535 1.00 12.52 C ATOM 947 CD GLU A 63 22.951 -10.879 -9.962 1.00 0.33 C ATOM 948 OE1 GLU A 63 22.075 -10.208 -9.377 1.00 54.11 O ATOM 949 OE2 GLU A 63 24.131 -10.494 -10.098 1.00 0.22 O ATOM 0 H GLU A 63 21.002 -14.372 -12.387 1.00 62.20 H new ATOM 0 HA GLU A 63 19.997 -12.303 -10.768 1.00 54.43 H new ATOM 0 HB2 GLU A 63 22.320 -12.759 -12.593 1.00 63.22 H new ATOM 0 HB3 GLU A 63 21.932 -11.089 -12.232 1.00 63.22 H new ATOM 0 HG2 GLU A 63 21.925 -12.752 -9.822 1.00 12.52 H new ATOM 0 HG3 GLU A 63 23.458 -12.834 -10.668 1.00 12.52 H new ATOM 956 N ASP A 64 19.675 -11.846 -14.028 1.00 55.05 N ATOM 957 CA ASP A 64 18.962 -11.072 -15.038 1.00 52.31 C ATOM 958 C ASP A 64 17.471 -11.006 -14.721 1.00 22.34 C ATOM 959 O ASP A 64 16.906 -9.924 -14.564 1.00 40.20 O ATOM 960 CB ASP A 64 19.174 -11.683 -16.424 1.00 44.30 C ATOM 961 CG ASP A 64 18.963 -10.677 -17.539 1.00 30.04 C ATOM 962 OD1 ASP A 64 17.809 -10.529 -17.994 1.00 63.41 O ATOM 963 OD2 ASP A 64 19.951 -10.037 -17.955 1.00 11.01 O ATOM 0 H ASP A 64 20.264 -12.589 -14.404 1.00 55.05 H new ATOM 0 HA ASP A 64 19.362 -10.058 -15.031 1.00 52.31 H new ATOM 0 HB2 ASP A 64 20.184 -12.087 -16.489 1.00 44.30 H new ATOM 0 HB3 ASP A 64 18.488 -12.519 -16.558 1.00 44.30 H new ATOM 968 N PHE A 65 16.839 -12.172 -14.628 1.00 5.21 N ATOM 969 CA PHE A 65 15.414 -12.247 -14.331 1.00 73.12 C ATOM 970 C PHE A 65 15.073 -11.430 -13.088 1.00 70.51 C ATOM 971 O PHE A 65 14.177 -10.587 -13.112 1.00 53.11 O ATOM 972 CB PHE A 65 14.989 -13.703 -14.131 1.00 21.43 C ATOM 973 CG PHE A 65 13.563 -13.971 -14.518 1.00 51.25 C ATOM 974 CD1 PHE A 65 13.201 -14.070 -15.852 1.00 53.42 C ATOM 975 CD2 PHE A 65 12.585 -14.124 -13.549 1.00 74.04 C ATOM 976 CE1 PHE A 65 11.889 -14.315 -16.212 1.00 11.24 C ATOM 977 CE2 PHE A 65 11.271 -14.370 -13.903 1.00 2.22 C ATOM 978 CZ PHE A 65 10.923 -14.466 -15.236 1.00 22.32 C ATOM 0 H PHE A 65 17.292 -13.077 -14.754 1.00 5.21 H new ATOM 0 HA PHE A 65 14.870 -11.830 -15.178 1.00 73.12 H new ATOM 0 HB2 PHE A 65 15.643 -14.348 -14.718 1.00 21.43 H new ATOM 0 HB3 PHE A 65 15.130 -13.974 -13.085 1.00 21.43 H new ATOM 0 HD1 PHE A 65 13.952 -13.954 -16.619 1.00 53.42 H new ATOM 0 HD2 PHE A 65 12.852 -14.050 -12.505 1.00 74.04 H new ATOM 0 HE1 PHE A 65 11.619 -14.388 -17.255 1.00 11.24 H new ATOM 0 HE2 PHE A 65 10.518 -14.487 -13.138 1.00 2.22 H new ATOM 0 HZ PHE A 65 9.898 -14.659 -15.515 1.00 22.32 H new ATOM 988 N VAL A 66 15.795 -11.688 -12.002 1.00 33.11 N ATOM 989 CA VAL A 66 15.570 -10.978 -10.749 1.00 3.53 C ATOM 990 C VAL A 66 15.716 -9.472 -10.937 1.00 53.31 C ATOM 991 O VAL A 66 15.079 -8.685 -10.237 1.00 51.11 O ATOM 992 CB VAL A 66 16.550 -11.444 -9.656 1.00 22.13 C ATOM 993 CG1 VAL A 66 16.339 -10.651 -8.375 1.00 32.20 C ATOM 994 CG2 VAL A 66 16.393 -12.936 -9.401 1.00 40.43 C ATOM 0 H VAL A 66 16.540 -12.383 -11.965 1.00 33.11 H new ATOM 0 HA VAL A 66 14.551 -11.206 -10.435 1.00 3.53 H new ATOM 0 HB VAL A 66 17.567 -11.263 -10.003 1.00 22.13 H new ATOM 0 HG11 VAL A 66 17.040 -10.995 -7.615 1.00 32.20 H new ATOM 0 HG12 VAL A 66 16.506 -9.592 -8.571 1.00 32.20 H new ATOM 0 HG13 VAL A 66 15.319 -10.798 -8.020 1.00 32.20 H new ATOM 0 HG21 VAL A 66 17.093 -13.248 -8.626 1.00 40.43 H new ATOM 0 HG22 VAL A 66 15.374 -13.144 -9.075 1.00 40.43 H new ATOM 0 HG23 VAL A 66 16.599 -13.486 -10.319 1.00 40.43 H new ATOM 1004 N GLN A 67 16.558 -9.078 -11.887 1.00 74.34 N ATOM 1005 CA GLN A 67 16.787 -7.666 -12.168 1.00 14.24 C ATOM 1006 C GLN A 67 15.529 -7.012 -12.732 1.00 4.04 C ATOM 1007 O GLN A 67 15.136 -5.928 -12.302 1.00 30.01 O ATOM 1008 CB GLN A 67 17.947 -7.501 -13.151 1.00 14.21 C ATOM 1009 CG GLN A 67 19.054 -6.594 -12.639 1.00 22.34 C ATOM 1010 CD GLN A 67 20.210 -6.478 -13.612 1.00 64.11 C ATOM 1011 OE1 GLN A 67 21.359 -6.757 -13.266 1.00 73.42 O ATOM 1012 NE2 GLN A 67 19.913 -6.064 -14.838 1.00 71.33 N ATOM 0 H GLN A 67 17.093 -9.717 -12.475 1.00 74.34 H new ATOM 0 HA GLN A 67 17.042 -7.172 -11.231 1.00 14.24 H new ATOM 0 HB2 GLN A 67 18.366 -8.482 -13.373 1.00 14.21 H new ATOM 0 HB3 GLN A 67 17.563 -7.099 -14.089 1.00 14.21 H new ATOM 0 HG2 GLN A 67 18.646 -5.602 -12.446 1.00 22.34 H new ATOM 0 HG3 GLN A 67 19.422 -6.978 -11.688 1.00 22.34 H new ATOM 0 HE21 GLN A 67 18.947 -5.844 -15.082 1.00 71.33 H new ATOM 0 HE22 GLN A 67 20.650 -5.966 -15.536 1.00 71.33 H new ATOM 1021 N MET A 68 14.904 -7.678 -13.696 1.00 71.25 N ATOM 1022 CA MET A 68 13.690 -7.161 -14.319 1.00 23.54 C ATOM 1023 C MET A 68 12.542 -7.117 -13.316 1.00 11.24 C ATOM 1024 O MET A 68 11.778 -6.153 -13.276 1.00 75.12 O ATOM 1025 CB MET A 68 13.300 -8.025 -15.520 1.00 43.51 C ATOM 1026 CG MET A 68 13.870 -7.525 -16.838 1.00 15.52 C ATOM 1027 SD MET A 68 15.125 -8.627 -17.515 1.00 23.01 S ATOM 1028 CE MET A 68 16.415 -7.456 -17.931 1.00 23.04 C ATOM 0 H MET A 68 15.217 -8.577 -14.063 1.00 71.25 H new ATOM 0 HA MET A 68 13.890 -6.146 -14.661 1.00 23.54 H new ATOM 0 HB2 MET A 68 13.642 -9.046 -15.349 1.00 43.51 H new ATOM 0 HB3 MET A 68 12.213 -8.061 -15.594 1.00 43.51 H new ATOM 0 HG2 MET A 68 13.061 -7.415 -17.560 1.00 15.52 H new ATOM 0 HG3 MET A 68 14.303 -6.536 -16.690 1.00 15.52 H new ATOM 0 HE1 MET A 68 17.263 -7.987 -18.363 1.00 23.04 H new ATOM 0 HE2 MET A 68 16.033 -6.735 -18.653 1.00 23.04 H new ATOM 0 HE3 MET A 68 16.735 -6.932 -17.030 1.00 23.04 H new ATOM 1038 N MET A 69 12.427 -8.165 -12.507 1.00 71.43 N ATOM 1039 CA MET A 69 11.372 -8.244 -11.504 1.00 33.12 C ATOM 1040 C MET A 69 11.496 -7.108 -10.494 1.00 2.04 C ATOM 1041 O MET A 69 10.510 -6.697 -9.881 1.00 42.41 O ATOM 1042 CB MET A 69 11.424 -9.592 -10.782 1.00 64.00 C ATOM 1043 CG MET A 69 10.285 -10.527 -11.156 1.00 44.40 C ATOM 1044 SD MET A 69 10.235 -10.888 -12.922 1.00 31.12 S ATOM 1045 CE MET A 69 8.553 -10.414 -13.316 1.00 62.24 C ATOM 0 H MET A 69 13.052 -8.971 -12.527 1.00 71.43 H new ATOM 0 HA MET A 69 10.413 -8.150 -12.014 1.00 33.12 H new ATOM 0 HB2 MET A 69 12.372 -10.080 -11.008 1.00 64.00 H new ATOM 0 HB3 MET A 69 11.403 -9.419 -9.706 1.00 64.00 H new ATOM 0 HG2 MET A 69 10.388 -11.460 -10.601 1.00 44.40 H new ATOM 0 HG3 MET A 69 9.338 -10.079 -10.854 1.00 44.40 H new ATOM 0 HE1 MET A 69 8.368 -10.579 -14.377 1.00 62.24 H new ATOM 0 HE2 MET A 69 7.859 -11.015 -12.728 1.00 62.24 H new ATOM 0 HE3 MET A 69 8.408 -9.359 -13.082 1.00 62.24 H new ATOM 1055 N THR A 70 12.715 -6.604 -10.323 1.00 73.05 N ATOM 1056 CA THR A 70 12.968 -5.517 -9.387 1.00 1.33 C ATOM 1057 C THR A 70 12.579 -4.171 -9.988 1.00 21.10 C ATOM 1058 O THR A 70 12.115 -3.276 -9.282 1.00 61.12 O ATOM 1059 CB THR A 70 14.450 -5.470 -8.968 1.00 14.03 C ATOM 1060 OG1 THR A 70 14.853 -6.744 -8.452 1.00 45.55 O ATOM 1061 CG2 THR A 70 14.681 -4.395 -7.916 1.00 70.32 C ATOM 0 H THR A 70 13.542 -6.932 -10.821 1.00 73.05 H new ATOM 0 HA THR A 70 12.355 -5.709 -8.507 1.00 1.33 H new ATOM 0 HB THR A 70 15.047 -5.229 -9.848 1.00 14.03 H new ATOM 0 HG1 THR A 70 14.860 -7.403 -9.177 1.00 45.55 H new ATOM 0 HG21 THR A 70 15.734 -4.381 -7.636 1.00 70.32 H new ATOM 0 HG22 THR A 70 14.400 -3.423 -8.321 1.00 70.32 H new ATOM 0 HG23 THR A 70 14.074 -4.610 -7.036 1.00 70.32 H new ATOM 1069 N ALA A 71 12.771 -4.035 -11.296 1.00 74.10 N ATOM 1070 CA ALA A 71 12.437 -2.799 -11.993 1.00 11.15 C ATOM 1071 C ALA A 71 13.289 -1.639 -11.490 1.00 43.53 C ATOM 1072 O ALA A 71 13.059 -1.110 -10.403 1.00 34.15 O ATOM 1073 CB ALA A 71 10.958 -2.481 -11.825 1.00 63.40 C ATOM 0 H ALA A 71 13.156 -4.766 -11.894 1.00 74.10 H new ATOM 0 HA ALA A 71 12.649 -2.940 -13.053 1.00 11.15 H new ATOM 0 HB1 ALA A 71 10.723 -1.555 -12.351 1.00 63.40 H new ATOM 0 HB2 ALA A 71 10.362 -3.295 -12.238 1.00 63.40 H new ATOM 0 HB3 ALA A 71 10.729 -2.365 -10.766 1.00 63.40 H new