USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=9 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 Set 1.1: A 33 MET CE :methyl 157:sc= -1.42 (180deg=-1.97!) USER MOD Set 1.2: A 48 MET CE :methyl -153:sc= -0.407 (180deg=-0.828) USER MOD Set 1.3: A 68 MET CE :methyl -133:sc= -0.333 (180deg=-0.706) 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= -0.0654 X(o=-0.065,f=-0.25) USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.12 USER MOD Single : A 35 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.794 K(o=-0.79,f=-6!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.907 USER MOD Single : A 67 GLN : amide:sc= -0.139 K(o=-0.14,f=-2!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.734 USER MOD ----------------------------------------------------------------- ATOM 67 N GLU A 6 10.677 -9.283 -3.553 1.00 41.42 N ATOM 68 CA GLU A 6 11.221 -10.419 -4.287 1.00 44.14 C ATOM 69 C GLU A 6 11.799 -11.459 -3.331 1.00 15.40 C ATOM 70 O GLU A 6 12.900 -11.965 -3.541 1.00 31.51 O ATOM 71 CB GLU A 6 12.303 -9.953 -5.264 1.00 51.42 C ATOM 72 CG GLU A 6 13.466 -9.243 -4.591 1.00 60.43 C ATOM 73 CD GLU A 6 13.473 -7.751 -4.859 1.00 43.05 C ATOM 74 OE1 GLU A 6 13.584 -7.362 -6.041 1.00 53.31 O ATOM 75 OE2 GLU A 6 13.369 -6.973 -3.889 1.00 12.43 O ATOM 0 HA GLU A 6 10.407 -10.878 -4.848 1.00 44.14 H new ATOM 0 HB2 GLU A 6 12.683 -10.816 -5.811 1.00 51.42 H new ATOM 0 HB3 GLU A 6 11.854 -9.283 -5.997 1.00 51.42 H new ATOM 0 HG2 GLU A 6 13.418 -9.415 -3.516 1.00 60.43 H new ATOM 0 HG3 GLU A 6 14.403 -9.676 -4.942 1.00 60.43 H new ATOM 82 N GLU A 7 11.046 -11.770 -2.280 1.00 51.03 N ATOM 83 CA GLU A 7 11.483 -12.748 -1.291 1.00 43.21 C ATOM 84 C GLU A 7 11.027 -14.152 -1.676 1.00 22.33 C ATOM 85 O GLU A 7 11.822 -15.092 -1.688 1.00 14.14 O ATOM 86 CB GLU A 7 10.940 -12.384 0.093 1.00 64.54 C ATOM 87 CG GLU A 7 11.449 -13.288 1.203 1.00 63.52 C ATOM 88 CD GLU A 7 10.800 -12.992 2.540 1.00 14.04 C ATOM 89 OE1 GLU A 7 10.104 -11.961 2.647 1.00 10.42 O ATOM 90 OE2 GLU A 7 10.987 -13.792 3.481 1.00 61.43 O ATOM 0 H GLU A 7 10.132 -11.359 -2.092 1.00 51.03 H new ATOM 0 HA GLU A 7 12.572 -12.735 -1.261 1.00 43.21 H new ATOM 0 HB2 GLU A 7 11.212 -11.354 0.321 1.00 64.54 H new ATOM 0 HB3 GLU A 7 9.851 -12.428 0.070 1.00 64.54 H new ATOM 0 HG2 GLU A 7 11.261 -14.328 0.935 1.00 63.52 H new ATOM 0 HG3 GLU A 7 12.529 -13.172 1.294 1.00 63.52 H new ATOM 97 N GLU A 8 9.742 -14.286 -1.989 1.00 1.12 N ATOM 98 CA GLU A 8 9.180 -15.576 -2.372 1.00 41.33 C ATOM 99 C GLU A 8 9.544 -15.921 -3.813 1.00 44.04 C ATOM 100 O GLU A 8 9.222 -17.004 -4.304 1.00 3.34 O ATOM 101 CB GLU A 8 7.659 -15.563 -2.208 1.00 71.21 C ATOM 102 CG GLU A 8 7.043 -16.950 -2.142 1.00 35.42 C ATOM 103 CD GLU A 8 5.527 -16.915 -2.122 1.00 53.02 C ATOM 104 OE1 GLU A 8 4.963 -15.867 -1.743 1.00 43.31 O ATOM 105 OE2 GLU A 8 4.904 -17.935 -2.485 1.00 40.53 O ATOM 0 H GLU A 8 9.071 -13.518 -1.985 1.00 1.12 H new ATOM 0 HA GLU A 8 9.603 -16.337 -1.716 1.00 41.33 H new ATOM 0 HB2 GLU A 8 7.405 -15.018 -1.299 1.00 71.21 H new ATOM 0 HB3 GLU A 8 7.217 -15.017 -3.041 1.00 71.21 H new ATOM 0 HG2 GLU A 8 7.378 -17.533 -3.000 1.00 35.42 H new ATOM 0 HG3 GLU A 8 7.403 -17.461 -1.249 1.00 35.42 H new ATOM 112 N ILE A 9 10.217 -14.993 -4.486 1.00 32.10 N ATOM 113 CA ILE A 9 10.625 -15.199 -5.870 1.00 1.00 C ATOM 114 C ILE A 9 11.994 -15.866 -5.946 1.00 23.13 C ATOM 115 O ILE A 9 12.180 -16.845 -6.669 1.00 40.20 O ATOM 116 CB ILE A 9 10.670 -13.870 -6.647 1.00 64.22 C ATOM 117 CG1 ILE A 9 9.287 -13.216 -6.662 1.00 44.34 C ATOM 118 CG2 ILE A 9 11.168 -14.103 -8.066 1.00 73.20 C ATOM 119 CD1 ILE A 9 9.252 -11.896 -7.400 1.00 54.25 C ATOM 0 H ILE A 9 10.491 -14.092 -4.095 1.00 32.10 H new ATOM 0 HA ILE A 9 9.880 -15.852 -6.325 1.00 1.00 H new ATOM 0 HB ILE A 9 11.364 -13.196 -6.145 1.00 64.22 H new ATOM 0 HG12 ILE A 9 8.575 -13.900 -7.124 1.00 44.34 H new ATOM 0 HG13 ILE A 9 8.957 -13.058 -5.635 1.00 44.34 H new ATOM 0 HG21 ILE A 9 11.194 -13.155 -8.603 1.00 73.20 H new ATOM 0 HG22 ILE A 9 12.170 -14.530 -8.034 1.00 73.20 H new ATOM 0 HG23 ILE A 9 10.496 -14.792 -8.579 1.00 73.20 H new ATOM 0 HD11 ILE A 9 8.241 -11.489 -7.371 1.00 54.25 H new ATOM 0 HD12 ILE A 9 9.939 -11.195 -6.925 1.00 54.25 H new ATOM 0 HD13 ILE A 9 9.551 -12.051 -8.437 1.00 54.25 H new ATOM 131 N ARG A 10 12.950 -15.331 -5.193 1.00 13.13 N ATOM 132 CA ARG A 10 14.302 -15.875 -5.174 1.00 2.32 C ATOM 133 C ARG A 10 14.292 -17.344 -4.762 1.00 52.10 C ATOM 134 O ARG A 10 15.089 -18.142 -5.254 1.00 50.53 O ATOM 135 CB ARG A 10 15.184 -15.072 -4.216 1.00 3.21 C ATOM 136 CG ARG A 10 14.542 -14.821 -2.861 1.00 72.44 C ATOM 137 CD ARG A 10 15.580 -14.781 -1.751 1.00 42.43 C ATOM 138 NE ARG A 10 16.712 -13.922 -2.091 1.00 55.14 N ATOM 139 CZ ARG A 10 16.691 -12.599 -1.976 1.00 54.30 C ATOM 140 NH1 ARG A 10 15.602 -11.986 -1.531 1.00 43.12 N ATOM 141 NH2 ARG A 10 17.760 -11.886 -2.306 1.00 1.25 N ATOM 0 H ARG A 10 12.813 -14.521 -4.588 1.00 13.13 H new ATOM 0 HA ARG A 10 14.710 -15.801 -6.182 1.00 2.32 H new ATOM 0 HB2 ARG A 10 16.124 -15.603 -4.070 1.00 3.21 H new ATOM 0 HB3 ARG A 10 15.427 -14.114 -4.676 1.00 3.21 H new ATOM 0 HG2 ARG A 10 13.997 -13.877 -2.885 1.00 72.44 H new ATOM 0 HG3 ARG A 10 13.814 -15.605 -2.652 1.00 72.44 H new ATOM 0 HD2 ARG A 10 15.115 -14.422 -0.833 1.00 42.43 H new ATOM 0 HD3 ARG A 10 15.938 -15.791 -1.553 1.00 42.43 H new ATOM 0 HE ARG A 10 17.565 -14.362 -2.436 1.00 55.14 H new ATOM 0 HH11 ARG A 10 14.778 -12.531 -1.276 1.00 43.12 H new ATOM 0 HH12 ARG A 10 15.588 -10.970 -1.444 1.00 43.12 H new ATOM 0 HH21 ARG A 10 18.599 -12.354 -2.648 1.00 1.25 H new ATOM 0 HH22 ARG A 10 17.743 -10.870 -2.217 1.00 1.25 H new ATOM 155 N GLU A 11 13.384 -17.693 -3.856 1.00 13.10 N ATOM 156 CA GLU A 11 13.271 -19.066 -3.378 1.00 2.34 C ATOM 157 C GLU A 11 12.453 -19.914 -4.347 1.00 30.34 C ATOM 158 O GLU A 11 12.596 -21.136 -4.392 1.00 0.31 O ATOM 159 CB GLU A 11 12.629 -19.095 -1.989 1.00 55.53 C ATOM 160 CG GLU A 11 13.467 -18.420 -0.916 1.00 54.24 C ATOM 161 CD GLU A 11 12.690 -18.177 0.363 1.00 3.42 C ATOM 162 OE1 GLU A 11 12.172 -19.156 0.938 1.00 14.15 O ATOM 163 OE2 GLU A 11 12.602 -17.006 0.789 1.00 1.14 O ATOM 0 H GLU A 11 12.716 -17.044 -3.439 1.00 13.10 H new ATOM 0 HA GLU A 11 14.275 -19.485 -3.315 1.00 2.34 H new ATOM 0 HB2 GLU A 11 11.655 -18.607 -2.038 1.00 55.53 H new ATOM 0 HB3 GLU A 11 12.452 -20.131 -1.701 1.00 55.53 H new ATOM 0 HG2 GLU A 11 14.337 -19.039 -0.696 1.00 54.24 H new ATOM 0 HG3 GLU A 11 13.840 -17.469 -1.296 1.00 54.24 H new ATOM 170 N ALA A 12 11.595 -19.257 -5.120 1.00 34.23 N ATOM 171 CA ALA A 12 10.754 -19.950 -6.089 1.00 4.32 C ATOM 172 C ALA A 12 11.577 -20.448 -7.272 1.00 3.10 C ATOM 173 O ALA A 12 11.245 -21.460 -7.890 1.00 4.04 O ATOM 174 CB ALA A 12 9.637 -19.035 -6.568 1.00 45.42 C ATOM 0 H ALA A 12 11.464 -18.246 -5.094 1.00 34.23 H new ATOM 0 HA ALA A 12 10.312 -20.816 -5.597 1.00 4.32 H new ATOM 0 HB1 ALA A 12 9.017 -19.565 -7.291 1.00 45.42 H new ATOM 0 HB2 ALA A 12 9.025 -18.732 -5.718 1.00 45.42 H new ATOM 0 HB3 ALA A 12 10.067 -18.151 -7.039 1.00 45.42 H new ATOM 180 N PHE A 13 12.652 -19.731 -7.583 1.00 53.44 N ATOM 181 CA PHE A 13 13.521 -20.099 -8.694 1.00 64.33 C ATOM 182 C PHE A 13 14.563 -21.123 -8.253 1.00 5.21 C ATOM 183 O PHE A 13 15.143 -21.830 -9.078 1.00 1.44 O ATOM 184 CB PHE A 13 14.216 -18.859 -9.259 1.00 42.43 C ATOM 185 CG PHE A 13 13.639 -18.391 -10.565 1.00 4.22 C ATOM 186 CD1 PHE A 13 12.481 -17.631 -10.593 1.00 42.20 C ATOM 187 CD2 PHE A 13 14.255 -18.712 -11.764 1.00 1.50 C ATOM 188 CE1 PHE A 13 11.948 -17.198 -11.793 1.00 31.43 C ATOM 189 CE2 PHE A 13 13.727 -18.282 -12.966 1.00 53.45 C ATOM 190 CZ PHE A 13 12.571 -17.525 -12.981 1.00 21.20 C ATOM 0 H PHE A 13 12.942 -18.892 -7.081 1.00 53.44 H new ATOM 0 HA PHE A 13 12.903 -20.547 -9.472 1.00 64.33 H new ATOM 0 HB2 PHE A 13 14.148 -18.051 -8.531 1.00 42.43 H new ATOM 0 HB3 PHE A 13 15.275 -19.077 -9.396 1.00 42.43 H new ATOM 0 HD1 PHE A 13 11.989 -17.374 -9.667 1.00 42.20 H new ATOM 0 HD2 PHE A 13 15.158 -19.305 -11.759 1.00 1.50 H new ATOM 0 HE1 PHE A 13 11.046 -16.605 -11.801 1.00 31.43 H new ATOM 0 HE2 PHE A 13 14.218 -18.537 -13.894 1.00 53.45 H new ATOM 0 HZ PHE A 13 12.156 -17.190 -13.920 1.00 21.20 H new ATOM 200 N ARG A 14 14.796 -21.196 -6.946 1.00 42.54 N ATOM 201 CA ARG A 14 15.769 -22.131 -6.395 1.00 2.54 C ATOM 202 C ARG A 14 15.157 -23.519 -6.231 1.00 42.32 C ATOM 203 O ARG A 14 15.838 -24.532 -6.391 1.00 41.21 O ATOM 204 CB ARG A 14 16.284 -21.626 -5.045 1.00 63.52 C ATOM 205 CG ARG A 14 17.632 -22.209 -4.652 1.00 11.04 C ATOM 206 CD ARG A 14 18.441 -21.228 -3.818 1.00 13.24 C ATOM 207 NE ARG A 14 19.870 -21.315 -4.103 1.00 63.31 N ATOM 208 CZ ARG A 14 20.764 -20.441 -3.655 1.00 1.31 C ATOM 209 NH1 ARG A 14 20.378 -19.419 -2.904 1.00 14.31 N ATOM 210 NH2 ARG A 14 22.048 -20.588 -3.957 1.00 54.15 N ATOM 0 H ARG A 14 14.324 -20.619 -6.250 1.00 42.54 H new ATOM 0 HA ARG A 14 16.604 -22.201 -7.092 1.00 2.54 H new ATOM 0 HB2 ARG A 14 16.363 -20.539 -5.079 1.00 63.52 H new ATOM 0 HB3 ARG A 14 15.554 -21.868 -4.273 1.00 63.52 H new ATOM 0 HG2 ARG A 14 17.481 -23.130 -4.088 1.00 11.04 H new ATOM 0 HG3 ARG A 14 18.191 -22.473 -5.550 1.00 11.04 H new ATOM 0 HD2 ARG A 14 18.094 -20.214 -4.014 1.00 13.24 H new ATOM 0 HD3 ARG A 14 18.270 -21.425 -2.760 1.00 13.24 H new ATOM 0 HE ARG A 14 20.200 -22.090 -4.678 1.00 63.31 H new ATOM 0 HH11 ARG A 14 19.392 -19.302 -2.669 1.00 14.31 H new ATOM 0 HH12 ARG A 14 21.067 -18.749 -2.561 1.00 14.31 H new ATOM 0 HH21 ARG A 14 22.350 -21.373 -4.534 1.00 54.15 H new ATOM 0 HH22 ARG A 14 22.733 -19.916 -3.612 1.00 54.15 H new ATOM 224 N VAL A 15 13.868 -23.557 -5.911 1.00 34.30 N ATOM 225 CA VAL A 15 13.163 -24.820 -5.726 1.00 62.53 C ATOM 226 C VAL A 15 12.790 -25.443 -7.067 1.00 52.41 C ATOM 227 O VAL A 15 12.635 -26.659 -7.178 1.00 12.04 O ATOM 228 CB VAL A 15 11.886 -24.633 -4.886 1.00 70.21 C ATOM 229 CG1 VAL A 15 11.122 -25.944 -4.777 1.00 14.31 C ATOM 230 CG2 VAL A 15 12.231 -24.091 -3.507 1.00 55.12 C ATOM 0 H VAL A 15 13.290 -22.728 -5.774 1.00 34.30 H new ATOM 0 HA VAL A 15 13.843 -25.487 -5.195 1.00 62.53 H new ATOM 0 HB VAL A 15 11.245 -23.907 -5.387 1.00 70.21 H new ATOM 0 HG11 VAL A 15 10.223 -25.793 -4.180 1.00 14.31 H new ATOM 0 HG12 VAL A 15 10.843 -26.286 -5.773 1.00 14.31 H new ATOM 0 HG13 VAL A 15 11.753 -26.694 -4.299 1.00 14.31 H new ATOM 0 HG21 VAL A 15 11.317 -23.965 -2.927 1.00 55.12 H new ATOM 0 HG22 VAL A 15 12.892 -24.791 -2.996 1.00 55.12 H new ATOM 0 HG23 VAL A 15 12.732 -23.128 -3.609 1.00 55.12 H new ATOM 240 N PHE A 16 12.647 -24.600 -8.085 1.00 31.03 N ATOM 241 CA PHE A 16 12.291 -25.067 -9.420 1.00 10.14 C ATOM 242 C PHE A 16 13.465 -25.790 -10.074 1.00 13.11 C ATOM 243 O PHE A 16 13.276 -26.730 -10.845 1.00 61.55 O ATOM 244 CB PHE A 16 11.850 -23.891 -10.294 1.00 5.23 C ATOM 245 CG PHE A 16 10.359 -23.743 -10.392 1.00 41.32 C ATOM 246 CD1 PHE A 16 9.568 -23.793 -9.256 1.00 20.12 C ATOM 247 CD2 PHE A 16 9.748 -23.554 -11.621 1.00 41.44 C ATOM 248 CE1 PHE A 16 8.195 -23.657 -9.343 1.00 3.21 C ATOM 249 CE2 PHE A 16 8.376 -23.416 -11.715 1.00 21.34 C ATOM 250 CZ PHE A 16 7.599 -23.469 -10.574 1.00 74.22 C ATOM 0 H PHE A 16 12.772 -23.590 -8.011 1.00 31.03 H new ATOM 0 HA PHE A 16 11.463 -25.769 -9.324 1.00 10.14 H new ATOM 0 HB2 PHE A 16 12.273 -22.971 -9.891 1.00 5.23 H new ATOM 0 HB3 PHE A 16 12.261 -24.019 -11.295 1.00 5.23 H new ATOM 0 HD1 PHE A 16 10.029 -23.940 -8.291 1.00 20.12 H new ATOM 0 HD2 PHE A 16 10.351 -23.514 -12.516 1.00 41.44 H new ATOM 0 HE1 PHE A 16 7.590 -23.698 -8.450 1.00 3.21 H new ATOM 0 HE2 PHE A 16 7.912 -23.267 -12.679 1.00 21.34 H new ATOM 0 HZ PHE A 16 6.527 -23.363 -10.645 1.00 74.22 H new ATOM 260 N ASP A 17 14.676 -25.343 -9.760 1.00 73.13 N ATOM 261 CA ASP A 17 15.881 -25.947 -10.317 1.00 1.25 C ATOM 262 C ASP A 17 16.102 -27.344 -9.746 1.00 72.42 C ATOM 263 O ASP A 17 16.100 -27.538 -8.530 1.00 63.13 O ATOM 264 CB ASP A 17 17.098 -25.067 -10.028 1.00 0.54 C ATOM 265 CG ASP A 17 18.407 -25.805 -10.226 1.00 20.23 C ATOM 266 OD1 ASP A 17 18.842 -25.940 -11.388 1.00 51.43 O ATOM 267 OD2 ASP A 17 18.996 -26.250 -9.218 1.00 2.20 O ATOM 0 H ASP A 17 14.849 -24.565 -9.123 1.00 73.13 H new ATOM 0 HA ASP A 17 15.750 -26.031 -11.396 1.00 1.25 H new ATOM 0 HB2 ASP A 17 17.074 -24.194 -10.680 1.00 0.54 H new ATOM 0 HB3 ASP A 17 17.042 -24.701 -9.003 1.00 0.54 H new ATOM 272 N LYS A 18 16.290 -28.316 -10.632 1.00 65.42 N ATOM 273 CA LYS A 18 16.513 -29.697 -10.219 1.00 12.24 C ATOM 274 C LYS A 18 17.928 -30.148 -10.566 1.00 52.24 C ATOM 275 O LYS A 18 18.576 -30.846 -9.787 1.00 30.40 O ATOM 276 CB LYS A 18 15.493 -30.622 -10.887 1.00 14.55 C ATOM 277 CG LYS A 18 15.357 -30.398 -12.383 1.00 1.13 C ATOM 278 CD LYS A 18 14.439 -31.428 -13.020 1.00 2.24 C ATOM 279 CE LYS A 18 13.138 -30.798 -13.493 1.00 44.24 C ATOM 280 NZ LYS A 18 13.255 -30.259 -14.877 1.00 35.50 N ATOM 0 H LYS A 18 16.292 -28.173 -11.642 1.00 65.42 H new ATOM 0 HA LYS A 18 16.389 -29.750 -9.137 1.00 12.24 H new ATOM 0 HB2 LYS A 18 15.782 -31.658 -10.708 1.00 14.55 H new ATOM 0 HB3 LYS A 18 14.521 -30.477 -10.416 1.00 14.55 H new ATOM 0 HG2 LYS A 18 14.966 -29.397 -12.568 1.00 1.13 H new ATOM 0 HG3 LYS A 18 16.341 -30.448 -12.850 1.00 1.13 H new ATOM 0 HD2 LYS A 18 14.946 -31.896 -13.864 1.00 2.24 H new ATOM 0 HD3 LYS A 18 14.222 -32.218 -12.301 1.00 2.24 H new ATOM 0 HE2 LYS A 18 12.341 -31.541 -13.458 1.00 44.24 H new ATOM 0 HE3 LYS A 18 12.855 -29.995 -12.813 1.00 44.24 H new ATOM 0 HZ1 LYS A 18 12.348 -29.838 -15.163 1.00 35.50 H new ATOM 0 HZ2 LYS A 18 13.998 -29.532 -14.905 1.00 35.50 H new ATOM 0 HZ3 LYS A 18 13.500 -31.030 -15.530 1.00 35.50 H new ATOM 327 N GLY A 22 21.327 -22.523 -9.994 1.00 43.03 N ATOM 328 CA GLY A 22 20.744 -21.198 -10.091 1.00 40.32 C ATOM 329 C GLY A 22 20.450 -20.797 -11.523 1.00 45.32 C ATOM 330 O GLY A 22 20.558 -19.624 -11.881 1.00 41.42 O ATOM 0 HA2 GLY A 22 19.821 -21.167 -9.512 1.00 40.32 H new ATOM 0 HA3 GLY A 22 21.424 -20.472 -9.646 1.00 40.32 H new ATOM 334 N TYR A 23 20.080 -21.772 -12.345 1.00 24.51 N ATOM 335 CA TYR A 23 19.775 -21.516 -13.747 1.00 55.13 C ATOM 336 C TYR A 23 18.720 -22.491 -14.262 1.00 52.30 C ATOM 337 O TYR A 23 18.908 -23.707 -14.217 1.00 11.34 O ATOM 338 CB TYR A 23 21.043 -21.625 -14.596 1.00 13.53 C ATOM 339 CG TYR A 23 22.182 -20.766 -14.094 1.00 61.51 C ATOM 340 CD1 TYR A 23 22.326 -19.451 -14.517 1.00 61.14 C ATOM 341 CD2 TYR A 23 23.114 -21.271 -13.196 1.00 23.33 C ATOM 342 CE1 TYR A 23 23.366 -18.664 -14.062 1.00 61.02 C ATOM 343 CE2 TYR A 23 24.157 -20.491 -12.734 1.00 53.00 C ATOM 344 CZ TYR A 23 24.279 -19.188 -13.171 1.00 34.34 C ATOM 345 OH TYR A 23 25.315 -18.407 -12.714 1.00 21.03 O ATOM 0 H TYR A 23 19.984 -22.748 -12.064 1.00 24.51 H new ATOM 0 HA TYR A 23 19.379 -20.504 -13.826 1.00 55.13 H new ATOM 0 HB2 TYR A 23 21.366 -22.666 -14.619 1.00 13.53 H new ATOM 0 HB3 TYR A 23 20.809 -21.341 -15.622 1.00 13.53 H new ATOM 0 HD1 TYR A 23 21.612 -19.037 -15.214 1.00 61.14 H new ATOM 0 HD2 TYR A 23 23.022 -22.291 -12.853 1.00 23.33 H new ATOM 0 HE1 TYR A 23 23.464 -17.644 -14.402 1.00 61.02 H new ATOM 0 HE2 TYR A 23 24.872 -20.899 -12.035 1.00 53.00 H new ATOM 0 HH TYR A 23 25.867 -18.926 -12.092 1.00 21.03 H new ATOM 355 N ILE A 24 17.611 -21.947 -14.752 1.00 35.33 N ATOM 356 CA ILE A 24 16.526 -22.768 -15.277 1.00 2.31 C ATOM 357 C ILE A 24 16.428 -22.644 -16.794 1.00 1.24 C ATOM 358 O ILE A 24 17.145 -21.855 -17.410 1.00 32.31 O ATOM 359 CB ILE A 24 15.173 -22.379 -14.653 1.00 11.22 C ATOM 360 CG1 ILE A 24 14.939 -20.873 -14.786 1.00 3.52 C ATOM 361 CG2 ILE A 24 15.122 -22.801 -13.192 1.00 65.21 C ATOM 362 CD1 ILE A 24 13.637 -20.521 -15.471 1.00 22.22 C ATOM 0 H ILE A 24 17.440 -20.942 -14.797 1.00 35.33 H new ATOM 0 HA ILE A 24 16.755 -23.800 -15.013 1.00 2.31 H new ATOM 0 HB ILE A 24 14.380 -22.900 -15.189 1.00 11.22 H new ATOM 0 HG12 ILE A 24 14.951 -20.423 -13.793 1.00 3.52 H new ATOM 0 HG13 ILE A 24 15.765 -20.433 -15.345 1.00 3.52 H new ATOM 0 HG21 ILE A 24 14.159 -22.519 -12.765 1.00 65.21 H new ATOM 0 HG22 ILE A 24 15.248 -23.881 -13.121 1.00 65.21 H new ATOM 0 HG23 ILE A 24 15.922 -22.305 -12.642 1.00 65.21 H new ATOM 0 HD11 ILE A 24 13.538 -19.437 -15.530 1.00 22.22 H new ATOM 0 HD12 ILE A 24 13.630 -20.941 -16.477 1.00 22.22 H new ATOM 0 HD13 ILE A 24 12.803 -20.931 -14.900 1.00 22.22 H new ATOM 374 N SER A 25 15.535 -23.427 -17.389 1.00 55.03 N ATOM 375 CA SER A 25 15.343 -23.407 -18.835 1.00 3.32 C ATOM 376 C SER A 25 14.176 -22.501 -19.216 1.00 4.22 C ATOM 377 O SER A 25 13.398 -22.080 -18.360 1.00 60.15 O ATOM 378 CB SER A 25 15.096 -24.823 -19.358 1.00 21.13 C ATOM 379 OG SER A 25 16.200 -25.668 -19.083 1.00 32.25 O ATOM 0 H SER A 25 14.933 -24.084 -16.893 1.00 55.03 H new ATOM 0 HA SER A 25 16.251 -23.012 -19.291 1.00 3.32 H new ATOM 0 HB2 SER A 25 14.197 -25.233 -18.897 1.00 21.13 H new ATOM 0 HB3 SER A 25 14.917 -24.791 -20.433 1.00 21.13 H new ATOM 0 HG SER A 25 16.017 -26.568 -19.426 1.00 32.25 H new ATOM 385 N ALA A 26 14.062 -22.205 -20.506 1.00 42.24 N ATOM 386 CA ALA A 26 12.990 -21.351 -21.002 1.00 40.13 C ATOM 387 C ALA A 26 11.639 -21.786 -20.445 1.00 21.14 C ATOM 388 O ALA A 26 10.847 -20.959 -19.994 1.00 43.33 O ATOM 389 CB ALA A 26 12.965 -21.365 -22.524 1.00 33.35 C ATOM 0 H ALA A 26 14.699 -22.544 -21.227 1.00 42.24 H new ATOM 0 HA ALA A 26 13.183 -20.334 -20.662 1.00 40.13 H new ATOM 0 HB1 ALA A 26 12.160 -20.723 -22.881 1.00 33.35 H new ATOM 0 HB2 ALA A 26 13.918 -20.999 -22.907 1.00 33.35 H new ATOM 0 HB3 ALA A 26 12.800 -22.383 -22.876 1.00 33.35 H new ATOM 395 N ALA A 27 11.382 -23.090 -20.479 1.00 3.43 N ATOM 396 CA ALA A 27 10.127 -23.634 -19.975 1.00 65.34 C ATOM 397 C ALA A 27 9.808 -23.086 -18.589 1.00 30.13 C ATOM 398 O ALA A 27 8.712 -22.579 -18.349 1.00 2.23 O ATOM 399 CB ALA A 27 10.187 -25.154 -19.943 1.00 61.32 C ATOM 0 H ALA A 27 12.026 -23.789 -20.850 1.00 3.43 H new ATOM 0 HA ALA A 27 9.329 -23.326 -20.650 1.00 65.34 H new ATOM 0 HB1 ALA A 27 9.244 -25.547 -19.565 1.00 61.32 H new ATOM 0 HB2 ALA A 27 10.360 -25.533 -20.950 1.00 61.32 H new ATOM 0 HB3 ALA A 27 11.000 -25.472 -19.291 1.00 61.32 H new ATOM 405 N ASP A 28 10.771 -23.192 -17.680 1.00 33.24 N ATOM 406 CA ASP A 28 10.592 -22.706 -16.316 1.00 72.43 C ATOM 407 C ASP A 28 10.452 -21.188 -16.295 1.00 11.55 C ATOM 408 O ASP A 28 9.739 -20.631 -15.458 1.00 52.15 O ATOM 409 CB ASP A 28 11.770 -23.135 -15.441 1.00 23.03 C ATOM 410 CG ASP A 28 11.505 -24.436 -14.709 1.00 13.24 C ATOM 411 OD1 ASP A 28 10.562 -25.155 -15.101 1.00 4.04 O ATOM 412 OD2 ASP A 28 12.239 -24.734 -13.743 1.00 72.21 O ATOM 0 H ASP A 28 11.683 -23.610 -17.863 1.00 33.24 H new ATOM 0 HA ASP A 28 9.676 -23.143 -15.917 1.00 72.43 H new ATOM 0 HB2 ASP A 28 12.659 -23.246 -16.062 1.00 23.03 H new ATOM 0 HB3 ASP A 28 11.984 -22.350 -14.715 1.00 23.03 H new ATOM 417 N LEU A 29 11.137 -20.522 -17.218 1.00 23.24 N ATOM 418 CA LEU A 29 11.091 -19.067 -17.304 1.00 54.33 C ATOM 419 C LEU A 29 9.697 -18.589 -17.699 1.00 33.22 C ATOM 420 O LEU A 29 9.061 -17.829 -16.969 1.00 14.03 O ATOM 421 CB LEU A 29 12.120 -18.563 -18.317 1.00 63.23 C ATOM 422 CG LEU A 29 12.078 -17.067 -18.630 1.00 3.02 C ATOM 423 CD1 LEU A 29 12.525 -16.257 -17.423 1.00 3.12 C ATOM 424 CD2 LEU A 29 12.947 -16.750 -19.838 1.00 52.04 C ATOM 0 H LEU A 29 11.731 -20.967 -17.918 1.00 23.24 H new ATOM 0 HA LEU A 29 11.330 -18.662 -16.321 1.00 54.33 H new ATOM 0 HB2 LEU A 29 13.115 -18.808 -17.946 1.00 63.23 H new ATOM 0 HB3 LEU A 29 11.982 -19.112 -19.248 1.00 63.23 H new ATOM 0 HG LEU A 29 11.050 -16.793 -18.866 1.00 3.02 H new ATOM 0 HD11 LEU A 29 12.489 -15.195 -17.664 1.00 3.12 H new ATOM 0 HD12 LEU A 29 11.862 -16.461 -16.582 1.00 3.12 H new ATOM 0 HD13 LEU A 29 13.545 -16.534 -17.156 1.00 3.12 H new ATOM 0 HD21 LEU A 29 12.905 -15.681 -20.046 1.00 52.04 H new ATOM 0 HD22 LEU A 29 13.977 -17.039 -19.631 1.00 52.04 H new ATOM 0 HD23 LEU A 29 12.582 -17.303 -20.704 1.00 52.04 H new ATOM 436 N ARG A 30 9.227 -19.042 -18.857 1.00 4.12 N ATOM 437 CA ARG A 30 7.908 -18.662 -19.348 1.00 3.33 C ATOM 438 C ARG A 30 6.827 -19.019 -18.333 1.00 34.44 C ATOM 439 O ARG A 30 5.786 -18.364 -18.261 1.00 63.22 O ATOM 440 CB ARG A 30 7.619 -19.352 -20.682 1.00 11.40 C ATOM 441 CG ARG A 30 6.792 -18.507 -21.638 1.00 30.14 C ATOM 442 CD ARG A 30 6.677 -19.164 -23.004 1.00 51.44 C ATOM 443 NE ARG A 30 6.297 -20.570 -22.906 1.00 31.34 N ATOM 444 CZ ARG A 30 6.257 -21.396 -23.946 1.00 4.33 C ATOM 445 NH1 ARG A 30 6.573 -20.957 -25.156 1.00 63.34 N ATOM 446 NH2 ARG A 30 5.902 -22.663 -23.776 1.00 12.33 N ATOM 0 H ARG A 30 9.740 -19.673 -19.473 1.00 4.12 H new ATOM 0 HA ARG A 30 7.900 -17.582 -19.496 1.00 3.33 H new ATOM 0 HB2 ARG A 30 8.564 -19.608 -21.161 1.00 11.40 H new ATOM 0 HB3 ARG A 30 7.094 -20.288 -20.491 1.00 11.40 H new ATOM 0 HG2 ARG A 30 5.796 -18.354 -21.222 1.00 30.14 H new ATOM 0 HG3 ARG A 30 7.248 -17.523 -21.744 1.00 30.14 H new ATOM 0 HD2 ARG A 30 5.938 -18.630 -23.602 1.00 51.44 H new ATOM 0 HD3 ARG A 30 7.630 -19.082 -23.527 1.00 51.44 H new ATOM 0 HE ARG A 30 6.048 -20.939 -21.988 1.00 31.34 H new ATOM 0 HH11 ARG A 30 6.847 -19.984 -25.290 1.00 63.34 H new ATOM 0 HH12 ARG A 30 6.542 -21.592 -25.953 1.00 63.34 H new ATOM 0 HH21 ARG A 30 5.659 -23.004 -22.846 1.00 12.33 H new ATOM 0 HH22 ARG A 30 5.872 -23.296 -24.575 1.00 12.33 H new ATOM 460 N HIS A 31 7.079 -20.064 -17.550 1.00 1.54 N ATOM 461 CA HIS A 31 6.127 -20.509 -16.538 1.00 51.43 C ATOM 462 C HIS A 31 6.025 -19.493 -15.404 1.00 73.30 C ATOM 463 O HIS A 31 4.958 -18.932 -15.154 1.00 1.31 O ATOM 464 CB HIS A 31 6.541 -21.872 -15.983 1.00 13.54 C ATOM 465 CG HIS A 31 5.638 -22.990 -16.405 1.00 43.30 C ATOM 466 ND1 HIS A 31 5.130 -23.105 -17.682 1.00 33.15 N ATOM 467 CD2 HIS A 31 5.155 -24.047 -15.712 1.00 61.41 C ATOM 468 CE1 HIS A 31 4.371 -24.184 -17.755 1.00 64.31 C ATOM 469 NE2 HIS A 31 4.371 -24.774 -16.573 1.00 75.34 N ATOM 0 H HIS A 31 7.934 -20.618 -17.597 1.00 1.54 H new ATOM 0 HA HIS A 31 5.148 -20.600 -17.009 1.00 51.43 H new ATOM 0 HB2 HIS A 31 7.557 -22.094 -16.309 1.00 13.54 H new ATOM 0 HB3 HIS A 31 6.559 -21.822 -14.894 1.00 13.54 H new ATOM 0 HD2 HIS A 31 5.350 -24.276 -14.675 1.00 61.41 H new ATOM 0 HE1 HIS A 31 3.841 -24.526 -18.632 1.00 64.31 H new ATOM 0 HE2 HIS A 31 3.870 -25.631 -16.338 1.00 75.34 H new ATOM 477 N VAL A 32 7.141 -19.263 -14.720 1.00 10.00 N ATOM 478 CA VAL A 32 7.177 -18.315 -13.613 1.00 22.35 C ATOM 479 C VAL A 32 6.740 -16.926 -14.064 1.00 23.15 C ATOM 480 O VAL A 32 6.019 -16.229 -13.350 1.00 61.33 O ATOM 481 CB VAL A 32 8.587 -18.224 -12.998 1.00 15.11 C ATOM 482 CG1 VAL A 32 8.565 -17.374 -11.736 1.00 60.25 C ATOM 483 CG2 VAL A 32 9.131 -19.614 -12.705 1.00 53.01 C ATOM 0 H VAL A 32 8.032 -19.720 -14.913 1.00 10.00 H new ATOM 0 HA VAL A 32 6.482 -18.683 -12.858 1.00 22.35 H new ATOM 0 HB VAL A 32 9.249 -17.744 -13.719 1.00 15.11 H new ATOM 0 HG11 VAL A 32 9.569 -17.321 -11.316 1.00 60.25 H new ATOM 0 HG12 VAL A 32 8.220 -16.369 -11.980 1.00 60.25 H new ATOM 0 HG13 VAL A 32 7.890 -17.822 -11.007 1.00 60.25 H new ATOM 0 HG21 VAL A 32 10.127 -19.531 -12.271 1.00 53.01 H new ATOM 0 HG22 VAL A 32 8.471 -20.123 -12.003 1.00 53.01 H new ATOM 0 HG23 VAL A 32 9.185 -20.186 -13.631 1.00 53.01 H new ATOM 493 N MET A 33 7.182 -16.530 -15.253 1.00 11.12 N ATOM 494 CA MET A 33 6.835 -15.224 -15.800 1.00 53.41 C ATOM 495 C MET A 33 5.341 -15.137 -16.095 1.00 35.33 C ATOM 496 O MET A 33 4.641 -14.273 -15.565 1.00 2.00 O ATOM 497 CB MET A 33 7.634 -14.952 -17.076 1.00 24.51 C ATOM 498 CG MET A 33 9.054 -14.476 -16.814 1.00 32.04 C ATOM 499 SD MET A 33 9.964 -14.135 -18.332 1.00 53.34 S ATOM 500 CE MET A 33 9.103 -12.679 -18.923 1.00 31.20 C ATOM 0 H MET A 33 7.781 -17.094 -15.856 1.00 11.12 H new ATOM 0 HA MET A 33 7.085 -14.469 -15.055 1.00 53.41 H new ATOM 0 HB2 MET A 33 7.669 -15.863 -17.674 1.00 24.51 H new ATOM 0 HB3 MET A 33 7.112 -14.201 -17.669 1.00 24.51 H new ATOM 0 HG2 MET A 33 9.024 -13.574 -16.203 1.00 32.04 H new ATOM 0 HG3 MET A 33 9.586 -15.233 -16.238 1.00 32.04 H new ATOM 0 HE1 MET A 33 9.756 -12.115 -19.589 1.00 31.20 H new ATOM 0 HE2 MET A 33 8.206 -12.981 -19.464 1.00 31.20 H new ATOM 0 HE3 MET A 33 8.822 -12.053 -18.076 1.00 31.20 H new ATOM 510 N THR A 34 4.856 -16.039 -16.944 1.00 0.54 N ATOM 511 CA THR A 34 3.446 -16.063 -17.310 1.00 35.04 C ATOM 512 C THR A 34 2.564 -16.295 -16.088 1.00 4.05 C ATOM 513 O THR A 34 1.378 -15.968 -16.095 1.00 24.21 O ATOM 514 CB THR A 34 3.155 -17.158 -18.353 1.00 71.02 C ATOM 515 OG1 THR A 34 3.946 -16.939 -19.527 1.00 10.25 O ATOM 516 CG2 THR A 34 1.680 -17.173 -18.725 1.00 70.04 C ATOM 0 H THR A 34 5.420 -16.762 -17.391 1.00 0.54 H new ATOM 0 HA THR A 34 3.215 -15.089 -17.742 1.00 35.04 H new ATOM 0 HB THR A 34 3.413 -18.123 -17.916 1.00 71.02 H new ATOM 0 HG1 THR A 34 4.824 -17.360 -19.413 1.00 10.25 H new ATOM 0 HG21 THR A 34 1.499 -17.954 -19.463 1.00 70.04 H new ATOM 0 HG22 THR A 34 1.082 -17.369 -17.835 1.00 70.04 H new ATOM 0 HG23 THR A 34 1.401 -16.206 -19.144 1.00 70.04 H new ATOM 524 N ASN A 35 3.153 -16.861 -15.038 1.00 55.44 N ATOM 525 CA ASN A 35 2.420 -17.136 -13.808 1.00 32.11 C ATOM 526 C ASN A 35 2.341 -15.890 -12.931 1.00 53.02 C ATOM 527 O ASN A 35 1.256 -15.363 -12.678 1.00 65.03 O ATOM 528 CB ASN A 35 3.089 -18.275 -13.036 1.00 34.14 C ATOM 529 CG ASN A 35 2.301 -18.680 -11.805 1.00 14.12 C ATOM 530 OD1 ASN A 35 1.458 -19.576 -11.860 1.00 52.55 O ATOM 531 ND2 ASN A 35 2.572 -18.020 -10.685 1.00 50.40 N ATOM 0 H ASN A 35 4.135 -17.137 -15.015 1.00 55.44 H new ATOM 0 HA ASN A 35 1.407 -17.434 -14.077 1.00 32.11 H new ATOM 0 HB2 ASN A 35 3.202 -19.138 -13.692 1.00 34.14 H new ATOM 0 HB3 ASN A 35 4.092 -17.968 -12.738 1.00 34.14 H new ATOM 0 HD21 ASN A 35 2.074 -18.249 -9.825 1.00 50.40 H new ATOM 0 HD22 ASN A 35 3.279 -17.284 -10.685 1.00 50.40 H new ATOM 538 N LEU A 36 3.496 -15.423 -12.471 1.00 21.23 N ATOM 539 CA LEU A 36 3.559 -14.238 -11.623 1.00 11.05 C ATOM 540 C LEU A 36 2.853 -13.058 -12.283 1.00 3.22 C ATOM 541 O LEU A 36 2.433 -13.139 -13.436 1.00 44.33 O ATOM 542 CB LEU A 36 5.015 -13.875 -11.326 1.00 61.41 C ATOM 543 CG LEU A 36 5.538 -14.274 -9.946 1.00 25.22 C ATOM 544 CD1 LEU A 36 6.311 -15.582 -10.025 1.00 44.53 C ATOM 545 CD2 LEU A 36 6.412 -13.170 -9.367 1.00 71.53 C ATOM 0 H LEU A 36 4.402 -15.847 -12.671 1.00 21.23 H new ATOM 0 HA LEU A 36 3.050 -14.465 -10.686 1.00 11.05 H new ATOM 0 HB2 LEU A 36 5.646 -14.343 -12.081 1.00 61.41 H new ATOM 0 HB3 LEU A 36 5.130 -12.797 -11.438 1.00 61.41 H new ATOM 0 HG LEU A 36 4.685 -14.420 -9.284 1.00 25.22 H new ATOM 0 HD11 LEU A 36 6.675 -15.850 -9.033 1.00 44.53 H new ATOM 0 HD12 LEU A 36 5.656 -16.370 -10.396 1.00 44.53 H new ATOM 0 HD13 LEU A 36 7.157 -15.465 -10.703 1.00 44.53 H new ATOM 0 HD21 LEU A 36 6.775 -13.471 -8.385 1.00 71.53 H new ATOM 0 HD22 LEU A 36 7.260 -12.992 -10.029 1.00 71.53 H new ATOM 0 HD23 LEU A 36 5.827 -12.255 -9.273 1.00 71.53 H new ATOM 557 N GLY A 37 2.728 -11.960 -11.543 1.00 24.00 N ATOM 558 CA GLY A 37 2.075 -10.778 -12.074 1.00 43.11 C ATOM 559 C GLY A 37 2.650 -10.348 -13.409 1.00 65.10 C ATOM 560 O GLY A 37 3.728 -9.756 -13.466 1.00 33.23 O ATOM 0 H GLY A 37 3.067 -11.868 -10.585 1.00 24.00 H new ATOM 0 HA2 GLY A 37 1.009 -10.976 -12.188 1.00 43.11 H new ATOM 0 HA3 GLY A 37 2.173 -9.961 -11.360 1.00 43.11 H new ATOM 564 N GLU A 38 1.931 -10.648 -14.486 1.00 30.11 N ATOM 565 CA GLU A 38 2.379 -10.290 -15.827 1.00 34.42 C ATOM 566 C GLU A 38 1.363 -10.734 -16.876 1.00 10.12 C ATOM 567 O GLU A 38 1.426 -11.854 -17.384 1.00 3.50 O ATOM 568 CB GLU A 38 3.740 -10.924 -16.120 1.00 4.32 C ATOM 569 CG GLU A 38 4.863 -9.911 -16.269 1.00 42.12 C ATOM 570 CD GLU A 38 6.079 -10.261 -15.434 1.00 45.21 C ATOM 571 OE1 GLU A 38 6.720 -11.293 -15.724 1.00 44.10 O ATOM 572 OE2 GLU A 38 6.390 -9.504 -14.491 1.00 43.42 O ATOM 0 H GLU A 38 1.037 -11.138 -14.456 1.00 30.11 H new ATOM 0 HA GLU A 38 2.474 -9.205 -15.873 1.00 34.42 H new ATOM 0 HB2 GLU A 38 3.990 -11.616 -15.316 1.00 4.32 H new ATOM 0 HB3 GLU A 38 3.668 -11.512 -17.035 1.00 4.32 H new ATOM 0 HG2 GLU A 38 5.153 -9.848 -17.318 1.00 42.12 H new ATOM 0 HG3 GLU A 38 4.499 -8.925 -15.979 1.00 42.12 H new ATOM 579 N LYS A 39 0.426 -9.848 -17.195 1.00 51.32 N ATOM 580 CA LYS A 39 -0.604 -10.145 -18.184 1.00 1.14 C ATOM 581 C LYS A 39 -0.122 -9.805 -19.590 1.00 72.24 C ATOM 582 O LYS A 39 -0.205 -8.656 -20.026 1.00 14.14 O ATOM 583 CB LYS A 39 -1.882 -9.365 -17.869 1.00 14.03 C ATOM 584 CG LYS A 39 -2.972 -10.213 -17.236 1.00 71.12 C ATOM 585 CD LYS A 39 -4.341 -9.572 -17.396 1.00 24.35 C ATOM 586 CE LYS A 39 -5.003 -9.990 -18.700 1.00 10.44 C ATOM 587 NZ LYS A 39 -5.798 -11.239 -18.543 1.00 64.31 N ATOM 0 H LYS A 39 0.358 -8.917 -16.783 1.00 51.32 H new ATOM 0 HA LYS A 39 -0.817 -11.213 -18.140 1.00 1.14 H new ATOM 0 HB2 LYS A 39 -1.639 -8.541 -17.198 1.00 14.03 H new ATOM 0 HB3 LYS A 39 -2.265 -8.924 -18.789 1.00 14.03 H new ATOM 0 HG2 LYS A 39 -2.977 -11.202 -17.694 1.00 71.12 H new ATOM 0 HG3 LYS A 39 -2.756 -10.353 -16.177 1.00 71.12 H new ATOM 0 HD2 LYS A 39 -4.977 -9.855 -16.557 1.00 24.35 H new ATOM 0 HD3 LYS A 39 -4.241 -8.487 -17.369 1.00 24.35 H new ATOM 0 HE2 LYS A 39 -5.652 -9.188 -19.051 1.00 10.44 H new ATOM 0 HE3 LYS A 39 -4.239 -10.139 -19.463 1.00 10.44 H new ATOM 0 HZ1 LYS A 39 -6.233 -11.490 -19.454 1.00 64.31 H new ATOM 0 HZ2 LYS A 39 -5.174 -12.011 -18.233 1.00 64.31 H new ATOM 0 HZ3 LYS A 39 -6.543 -11.089 -17.833 1.00 64.31 H new ATOM 601 N LEU A 40 0.380 -10.811 -20.298 1.00 23.23 N ATOM 602 CA LEU A 40 0.874 -10.619 -21.657 1.00 21.31 C ATOM 603 C LEU A 40 0.510 -11.807 -22.541 1.00 74.35 C ATOM 604 O LEU A 40 -0.038 -12.804 -22.068 1.00 51.40 O ATOM 605 CB LEU A 40 2.391 -10.423 -21.646 1.00 61.05 C ATOM 606 CG LEU A 40 2.924 -9.359 -20.686 1.00 33.33 C ATOM 607 CD1 LEU A 40 4.416 -9.546 -20.457 1.00 15.41 C ATOM 608 CD2 LEU A 40 2.634 -7.964 -21.221 1.00 24.51 C ATOM 0 H LEU A 40 0.456 -11.768 -19.953 1.00 23.23 H new ATOM 0 HA LEU A 40 0.401 -9.726 -22.067 1.00 21.31 H new ATOM 0 HB2 LEU A 40 2.858 -11.376 -21.396 1.00 61.05 H new ATOM 0 HB3 LEU A 40 2.711 -10.166 -22.656 1.00 61.05 H new ATOM 0 HG LEU A 40 2.414 -9.472 -19.729 1.00 33.33 H new ATOM 0 HD11 LEU A 40 4.778 -8.780 -19.771 1.00 15.41 H new ATOM 0 HD12 LEU A 40 4.598 -10.532 -20.028 1.00 15.41 H new ATOM 0 HD13 LEU A 40 4.943 -9.461 -21.407 1.00 15.41 H new ATOM 0 HD21 LEU A 40 3.020 -7.220 -20.525 1.00 24.51 H new ATOM 0 HD22 LEU A 40 3.116 -7.839 -22.191 1.00 24.51 H new ATOM 0 HD23 LEU A 40 1.558 -7.833 -21.331 1.00 24.51 H new ATOM 620 N THR A 41 0.819 -11.696 -23.830 1.00 21.43 N ATOM 621 CA THR A 41 0.525 -12.761 -24.781 1.00 25.14 C ATOM 622 C THR A 41 1.786 -13.539 -25.141 1.00 52.05 C ATOM 623 O THR A 41 2.902 -13.075 -24.906 1.00 33.43 O ATOM 624 CB THR A 41 -0.107 -12.204 -26.070 1.00 31.11 C ATOM 625 OG1 THR A 41 0.878 -11.500 -26.834 1.00 60.14 O ATOM 626 CG2 THR A 41 -1.265 -11.273 -25.746 1.00 15.22 C ATOM 0 H THR A 41 1.273 -10.879 -24.239 1.00 21.43 H new ATOM 0 HA THR A 41 -0.186 -13.430 -24.297 1.00 25.14 H new ATOM 0 HB THR A 41 -0.488 -13.042 -26.653 1.00 31.11 H new ATOM 0 HG1 THR A 41 0.468 -11.150 -27.653 1.00 60.14 H new ATOM 0 HG21 THR A 41 -1.696 -10.892 -26.672 1.00 15.22 H new ATOM 0 HG22 THR A 41 -2.027 -11.820 -25.190 1.00 15.22 H new ATOM 0 HG23 THR A 41 -0.904 -10.439 -25.144 1.00 15.22 H new ATOM 634 N ASP A 42 1.601 -14.723 -25.715 1.00 13.12 N ATOM 635 CA ASP A 42 2.724 -15.565 -26.110 1.00 53.13 C ATOM 636 C ASP A 42 3.693 -14.795 -27.001 1.00 40.35 C ATOM 637 O ASP A 42 4.901 -15.027 -26.966 1.00 71.14 O ATOM 638 CB ASP A 42 2.222 -16.812 -26.840 1.00 12.12 C ATOM 639 CG ASP A 42 3.042 -18.044 -26.511 1.00 74.24 C ATOM 640 OD1 ASP A 42 4.210 -17.887 -26.101 1.00 2.31 O ATOM 641 OD2 ASP A 42 2.515 -19.166 -26.666 1.00 31.23 O ATOM 0 H ASP A 42 0.684 -15.121 -25.917 1.00 13.12 H new ATOM 0 HA ASP A 42 3.253 -15.870 -25.207 1.00 53.13 H new ATOM 0 HB2 ASP A 42 1.180 -16.991 -26.574 1.00 12.12 H new ATOM 0 HB3 ASP A 42 2.251 -16.636 -27.915 1.00 12.12 H new ATOM 646 N GLU A 43 3.154 -13.878 -27.800 1.00 24.23 N ATOM 647 CA GLU A 43 3.972 -13.076 -28.701 1.00 44.44 C ATOM 648 C GLU A 43 4.762 -12.024 -27.928 1.00 44.32 C ATOM 649 O GLU A 43 5.955 -11.832 -28.163 1.00 52.25 O ATOM 650 CB GLU A 43 3.094 -12.397 -29.755 1.00 62.40 C ATOM 651 CG GLU A 43 3.536 -12.670 -31.183 1.00 22.31 C ATOM 652 CD GLU A 43 2.873 -11.746 -32.186 1.00 2.24 C ATOM 653 OE1 GLU A 43 1.725 -12.031 -32.585 1.00 53.12 O ATOM 654 OE2 GLU A 43 3.502 -10.738 -32.571 1.00 21.34 O ATOM 0 H GLU A 43 2.156 -13.673 -27.841 1.00 24.23 H new ATOM 0 HA GLU A 43 4.677 -13.742 -29.199 1.00 44.44 H new ATOM 0 HB2 GLU A 43 2.065 -12.735 -29.631 1.00 62.40 H new ATOM 0 HB3 GLU A 43 3.099 -11.321 -29.581 1.00 62.40 H new ATOM 0 HG2 GLU A 43 4.618 -12.558 -31.252 1.00 22.31 H new ATOM 0 HG3 GLU A 43 3.305 -13.704 -31.439 1.00 22.31 H new ATOM 661 N GLU A 44 4.088 -11.345 -27.005 1.00 74.24 N ATOM 662 CA GLU A 44 4.726 -10.312 -26.199 1.00 2.23 C ATOM 663 C GLU A 44 5.783 -10.916 -25.279 1.00 4.53 C ATOM 664 O GLU A 44 6.793 -10.281 -24.974 1.00 42.41 O ATOM 665 CB GLU A 44 3.681 -9.562 -25.370 1.00 21.01 C ATOM 666 CG GLU A 44 3.098 -8.350 -26.078 1.00 30.44 C ATOM 667 CD GLU A 44 2.368 -7.417 -25.131 1.00 72.51 C ATOM 668 OE1 GLU A 44 1.588 -7.914 -24.292 1.00 53.11 O ATOM 669 OE2 GLU A 44 2.577 -6.190 -25.230 1.00 24.22 O ATOM 0 H GLU A 44 3.100 -11.492 -26.797 1.00 74.24 H new ATOM 0 HA GLU A 44 5.215 -9.610 -26.875 1.00 2.23 H new ATOM 0 HB2 GLU A 44 2.872 -10.247 -25.114 1.00 21.01 H new ATOM 0 HB3 GLU A 44 4.135 -9.241 -24.433 1.00 21.01 H new ATOM 0 HG2 GLU A 44 3.900 -7.803 -26.575 1.00 30.44 H new ATOM 0 HG3 GLU A 44 2.411 -8.684 -26.855 1.00 30.44 H new ATOM 676 N VAL A 45 5.543 -12.147 -24.838 1.00 50.54 N ATOM 677 CA VAL A 45 6.473 -12.837 -23.954 1.00 24.34 C ATOM 678 C VAL A 45 7.743 -13.238 -24.696 1.00 44.31 C ATOM 679 O VAL A 45 8.837 -13.223 -24.130 1.00 54.50 O ATOM 680 CB VAL A 45 5.833 -14.096 -23.338 1.00 43.22 C ATOM 681 CG1 VAL A 45 6.813 -14.792 -22.406 1.00 62.11 C ATOM 682 CG2 VAL A 45 4.550 -13.736 -22.604 1.00 45.11 C ATOM 0 H VAL A 45 4.712 -12.686 -25.079 1.00 50.54 H new ATOM 0 HA VAL A 45 6.727 -12.139 -23.156 1.00 24.34 H new ATOM 0 HB VAL A 45 5.582 -14.786 -24.143 1.00 43.22 H new ATOM 0 HG11 VAL A 45 6.343 -15.679 -21.980 1.00 62.11 H new ATOM 0 HG12 VAL A 45 7.702 -15.085 -22.965 1.00 62.11 H new ATOM 0 HG13 VAL A 45 7.098 -14.112 -21.603 1.00 62.11 H new ATOM 0 HG21 VAL A 45 4.111 -14.637 -22.175 1.00 45.11 H new ATOM 0 HG22 VAL A 45 4.773 -13.026 -21.807 1.00 45.11 H new ATOM 0 HG23 VAL A 45 3.845 -13.286 -23.303 1.00 45.11 H new ATOM 692 N ASP A 46 7.591 -13.595 -25.966 1.00 64.14 N ATOM 693 CA ASP A 46 8.727 -13.998 -26.788 1.00 74.43 C ATOM 694 C ASP A 46 9.828 -12.944 -26.748 1.00 24.11 C ATOM 695 O ASP A 46 10.999 -13.264 -26.542 1.00 53.03 O ATOM 696 CB ASP A 46 8.280 -14.233 -28.232 1.00 44.33 C ATOM 697 CG ASP A 46 9.170 -15.222 -28.960 1.00 12.31 C ATOM 698 OD1 ASP A 46 9.799 -16.063 -28.284 1.00 73.22 O ATOM 699 OD2 ASP A 46 9.236 -15.155 -30.205 1.00 2.21 O ATOM 0 H ASP A 46 6.693 -13.614 -26.449 1.00 64.14 H new ATOM 0 HA ASP A 46 9.126 -14.928 -26.383 1.00 74.43 H new ATOM 0 HB2 ASP A 46 7.254 -14.600 -28.236 1.00 44.33 H new ATOM 0 HB3 ASP A 46 8.281 -13.284 -28.769 1.00 44.33 H new ATOM 704 N GLU A 47 9.445 -11.687 -26.947 1.00 1.23 N ATOM 705 CA GLU A 47 10.402 -10.586 -26.935 1.00 33.32 C ATOM 706 C GLU A 47 10.934 -10.344 -25.526 1.00 3.45 C ATOM 707 O GLU A 47 12.087 -9.953 -25.345 1.00 43.13 O ATOM 708 CB GLU A 47 9.751 -9.310 -27.473 1.00 24.11 C ATOM 709 CG GLU A 47 10.160 -8.972 -28.897 1.00 21.51 C ATOM 710 CD GLU A 47 9.570 -7.661 -29.378 1.00 34.30 C ATOM 711 OE1 GLU A 47 8.534 -7.238 -28.822 1.00 63.21 O ATOM 712 OE2 GLU A 47 10.142 -7.059 -30.310 1.00 0.53 O ATOM 0 H GLU A 47 8.480 -11.405 -27.118 1.00 1.23 H new ATOM 0 HA GLU A 47 11.239 -10.858 -27.579 1.00 33.32 H new ATOM 0 HB2 GLU A 47 8.667 -9.420 -27.431 1.00 24.11 H new ATOM 0 HB3 GLU A 47 10.012 -8.476 -26.821 1.00 24.11 H new ATOM 0 HG2 GLU A 47 11.247 -8.920 -28.956 1.00 21.51 H new ATOM 0 HG3 GLU A 47 9.843 -9.775 -29.562 1.00 21.51 H new ATOM 719 N MET A 48 10.085 -10.578 -24.530 1.00 45.31 N ATOM 720 CA MET A 48 10.470 -10.385 -23.137 1.00 25.22 C ATOM 721 C MET A 48 11.666 -11.261 -22.777 1.00 62.51 C ATOM 722 O MET A 48 12.597 -10.813 -22.107 1.00 51.33 O ATOM 723 CB MET A 48 9.294 -10.703 -22.212 1.00 1.23 C ATOM 724 CG MET A 48 8.441 -9.491 -21.876 1.00 11.55 C ATOM 725 SD MET A 48 9.278 -8.336 -20.772 1.00 63.22 S ATOM 726 CE MET A 48 9.443 -9.338 -19.296 1.00 41.33 C ATOM 0 H MET A 48 9.127 -10.901 -24.662 1.00 45.31 H new ATOM 0 HA MET A 48 10.754 -9.341 -23.006 1.00 25.22 H new ATOM 0 HB2 MET A 48 8.666 -11.460 -22.683 1.00 1.23 H new ATOM 0 HB3 MET A 48 9.676 -11.136 -21.287 1.00 1.23 H new ATOM 0 HG2 MET A 48 8.170 -8.975 -22.797 1.00 11.55 H new ATOM 0 HG3 MET A 48 7.512 -9.823 -21.412 1.00 11.55 H new ATOM 0 HE1 MET A 48 9.480 -8.691 -18.419 1.00 41.33 H new ATOM 0 HE2 MET A 48 8.589 -10.010 -19.215 1.00 41.33 H new ATOM 0 HE3 MET A 48 10.361 -9.923 -19.354 1.00 41.33 H new ATOM 736 N ILE A 49 11.634 -12.512 -23.226 1.00 11.24 N ATOM 737 CA ILE A 49 12.716 -13.449 -22.951 1.00 74.42 C ATOM 738 C ILE A 49 13.982 -13.065 -23.709 1.00 12.01 C ATOM 739 O ILE A 49 15.093 -13.381 -23.282 1.00 53.42 O ATOM 740 CB ILE A 49 12.322 -14.890 -23.329 1.00 52.53 C ATOM 741 CG1 ILE A 49 11.000 -15.273 -22.660 1.00 4.42 C ATOM 742 CG2 ILE A 49 13.424 -15.861 -22.934 1.00 34.15 C ATOM 743 CD1 ILE A 49 10.445 -16.598 -23.133 1.00 41.42 C ATOM 0 H ILE A 49 10.871 -12.899 -23.781 1.00 11.24 H new ATOM 0 HA ILE A 49 12.909 -13.403 -21.879 1.00 74.42 H new ATOM 0 HB ILE A 49 12.189 -14.943 -24.409 1.00 52.53 H new ATOM 0 HG12 ILE A 49 11.147 -15.314 -21.581 1.00 4.42 H new ATOM 0 HG13 ILE A 49 10.265 -14.491 -22.852 1.00 4.42 H new ATOM 0 HG21 ILE A 49 13.131 -16.875 -23.207 1.00 34.15 H new ATOM 0 HG22 ILE A 49 14.345 -15.597 -23.454 1.00 34.15 H new ATOM 0 HG23 ILE A 49 13.587 -15.808 -21.858 1.00 34.15 H new ATOM 0 HD11 ILE A 49 9.508 -16.805 -22.617 1.00 41.42 H new ATOM 0 HD12 ILE A 49 10.266 -16.555 -24.207 1.00 41.42 H new ATOM 0 HD13 ILE A 49 11.161 -17.391 -22.916 1.00 41.42 H new ATOM 755 N ARG A 50 13.806 -12.380 -24.834 1.00 65.23 N ATOM 756 CA ARG A 50 14.935 -11.952 -25.652 1.00 2.34 C ATOM 757 C ARG A 50 15.909 -11.107 -24.834 1.00 73.44 C ATOM 758 O ARG A 50 17.121 -11.172 -25.036 1.00 32.44 O ATOM 759 CB ARG A 50 14.443 -11.154 -26.861 1.00 31.41 C ATOM 760 CG ARG A 50 15.449 -11.090 -27.998 1.00 70.14 C ATOM 761 CD ARG A 50 15.342 -9.780 -28.763 1.00 72.25 C ATOM 762 NE ARG A 50 14.882 -9.983 -30.135 1.00 33.24 N ATOM 763 CZ ARG A 50 14.988 -9.066 -31.089 1.00 45.50 C ATOM 764 NH1 ARG A 50 15.537 -7.888 -30.823 1.00 21.21 N ATOM 765 NH2 ARG A 50 14.546 -9.325 -32.313 1.00 3.11 N ATOM 0 H ARG A 50 12.893 -12.109 -25.200 1.00 65.23 H new ATOM 0 HA ARG A 50 15.457 -12.843 -26.001 1.00 2.34 H new ATOM 0 HB2 ARG A 50 13.519 -11.601 -27.229 1.00 31.41 H new ATOM 0 HB3 ARG A 50 14.202 -10.140 -26.543 1.00 31.41 H new ATOM 0 HG2 ARG A 50 16.458 -11.199 -27.599 1.00 70.14 H new ATOM 0 HG3 ARG A 50 15.284 -11.925 -28.679 1.00 70.14 H new ATOM 0 HD2 ARG A 50 14.653 -9.113 -28.245 1.00 72.25 H new ATOM 0 HD3 ARG A 50 16.314 -9.287 -28.776 1.00 72.25 H new ATOM 0 HE ARG A 50 14.456 -10.879 -30.373 1.00 33.24 H new ATOM 0 HH11 ARG A 50 15.879 -7.685 -29.884 1.00 21.21 H new ATOM 0 HH12 ARG A 50 15.617 -7.185 -31.558 1.00 21.21 H new ATOM 0 HH21 ARG A 50 14.124 -10.230 -32.522 1.00 3.11 H new ATOM 0 HH22 ARG A 50 14.628 -8.619 -33.045 1.00 3.11 H new ATOM 779 N GLU A 51 15.368 -10.316 -23.913 1.00 24.01 N ATOM 780 CA GLU A 51 16.190 -9.458 -23.067 1.00 30.42 C ATOM 781 C GLU A 51 16.786 -10.249 -21.906 1.00 32.32 C ATOM 782 O GLU A 51 18.004 -10.307 -21.740 1.00 52.24 O ATOM 783 CB GLU A 51 15.361 -8.289 -22.530 1.00 22.51 C ATOM 784 CG GLU A 51 14.987 -7.270 -23.593 1.00 11.04 C ATOM 785 CD GLU A 51 13.545 -6.814 -23.481 1.00 42.40 C ATOM 786 OE1 GLU A 51 13.216 -6.120 -22.496 1.00 44.45 O ATOM 787 OE2 GLU A 51 12.746 -7.151 -24.379 1.00 53.23 O ATOM 0 H GLU A 51 14.366 -10.251 -23.734 1.00 24.01 H new ATOM 0 HA GLU A 51 17.006 -9.067 -23.674 1.00 30.42 H new ATOM 0 HB2 GLU A 51 14.450 -8.679 -22.076 1.00 22.51 H new ATOM 0 HB3 GLU A 51 15.922 -7.789 -21.741 1.00 22.51 H new ATOM 0 HG2 GLU A 51 15.645 -6.405 -23.510 1.00 11.04 H new ATOM 0 HG3 GLU A 51 15.152 -7.702 -24.580 1.00 11.04 H new ATOM 794 N ALA A 52 15.917 -10.857 -21.104 1.00 62.02 N ATOM 795 CA ALA A 52 16.356 -11.646 -19.960 1.00 4.43 C ATOM 796 C ALA A 52 17.391 -12.686 -20.375 1.00 20.24 C ATOM 797 O ALA A 52 18.253 -13.069 -19.583 1.00 11.51 O ATOM 798 CB ALA A 52 15.165 -12.319 -19.294 1.00 42.04 C ATOM 0 H ALA A 52 14.905 -10.818 -21.226 1.00 62.02 H new ATOM 0 HA ALA A 52 16.825 -10.972 -19.243 1.00 4.43 H new ATOM 0 HB1 ALA A 52 15.508 -12.905 -18.441 1.00 42.04 H new ATOM 0 HB2 ALA A 52 14.462 -11.559 -18.953 1.00 42.04 H new ATOM 0 HB3 ALA A 52 14.671 -12.976 -20.010 1.00 42.04 H new ATOM 804 N ASP A 53 17.299 -13.141 -21.619 1.00 63.13 N ATOM 805 CA ASP A 53 18.228 -14.138 -22.139 1.00 41.25 C ATOM 806 C ASP A 53 18.891 -13.646 -23.423 1.00 15.04 C ATOM 807 O ASP A 53 19.004 -14.389 -24.398 1.00 25.01 O ATOM 808 CB ASP A 53 17.500 -15.457 -22.400 1.00 61.41 C ATOM 809 CG ASP A 53 18.442 -16.645 -22.413 1.00 71.41 C ATOM 810 OD1 ASP A 53 19.530 -16.534 -23.016 1.00 1.21 O ATOM 811 OD2 ASP A 53 18.091 -17.686 -21.820 1.00 21.54 O ATOM 0 H ASP A 53 16.591 -12.836 -22.287 1.00 63.13 H new ATOM 0 HA ASP A 53 19.003 -14.302 -21.390 1.00 41.25 H new ATOM 0 HB2 ASP A 53 16.741 -15.608 -21.633 1.00 61.41 H new ATOM 0 HB3 ASP A 53 16.980 -15.399 -23.356 1.00 61.41 H new ATOM 866 N GLY A 58 19.617 -19.583 -24.141 1.00 42.33 N ATOM 867 CA GLY A 58 19.738 -20.892 -23.528 1.00 71.51 C ATOM 868 C GLY A 58 19.051 -20.967 -22.179 1.00 0.51 C ATOM 869 O GLY A 58 18.020 -21.622 -22.036 1.00 75.33 O ATOM 0 HA2 GLY A 58 19.309 -21.642 -24.193 1.00 71.51 H new ATOM 0 HA3 GLY A 58 20.793 -21.138 -23.409 1.00 71.51 H new ATOM 873 N GLN A 59 19.625 -20.294 -21.187 1.00 1.24 N ATOM 874 CA GLN A 59 19.062 -20.289 -19.842 1.00 11.23 C ATOM 875 C GLN A 59 19.079 -18.883 -19.250 1.00 30.44 C ATOM 876 O GLN A 59 19.840 -18.022 -19.690 1.00 60.05 O ATOM 877 CB GLN A 59 19.840 -21.246 -18.937 1.00 12.23 C ATOM 878 CG GLN A 59 19.605 -22.713 -19.258 1.00 41.11 C ATOM 879 CD GLN A 59 20.893 -23.511 -19.317 1.00 52.32 C ATOM 880 OE1 GLN A 59 21.428 -23.924 -18.288 1.00 62.33 O ATOM 881 NE2 GLN A 59 21.398 -23.732 -20.525 1.00 53.43 N ATOM 0 H GLN A 59 20.479 -19.746 -21.289 1.00 1.24 H new ATOM 0 HA GLN A 59 18.027 -20.623 -19.907 1.00 11.23 H new ATOM 0 HB2 GLN A 59 20.905 -21.030 -19.024 1.00 12.23 H new ATOM 0 HB3 GLN A 59 19.560 -21.060 -17.900 1.00 12.23 H new ATOM 0 HG2 GLN A 59 18.948 -23.146 -18.503 1.00 41.11 H new ATOM 0 HG3 GLN A 59 19.088 -22.794 -20.214 1.00 41.11 H new ATOM 0 HE21 GLN A 59 20.921 -23.371 -21.351 1.00 53.43 H new ATOM 0 HE22 GLN A 59 22.263 -24.263 -20.627 1.00 53.43 H new ATOM 890 N VAL A 60 18.235 -18.658 -18.248 1.00 75.20 N ATOM 891 CA VAL A 60 18.153 -17.357 -17.595 1.00 30.33 C ATOM 892 C VAL A 60 18.961 -17.340 -16.302 1.00 44.22 C ATOM 893 O VAL A 60 18.925 -18.291 -15.523 1.00 12.44 O ATOM 894 CB VAL A 60 16.694 -16.978 -17.280 1.00 12.22 C ATOM 895 CG1 VAL A 60 16.608 -15.537 -16.799 1.00 63.22 C ATOM 896 CG2 VAL A 60 15.812 -17.195 -18.500 1.00 41.43 C ATOM 0 H VAL A 60 17.598 -19.360 -17.871 1.00 75.20 H new ATOM 0 HA VAL A 60 18.568 -16.627 -18.290 1.00 30.33 H new ATOM 0 HB VAL A 60 16.334 -17.625 -16.480 1.00 12.22 H new ATOM 0 HG11 VAL A 60 15.570 -15.287 -16.581 1.00 63.22 H new ATOM 0 HG12 VAL A 60 17.207 -15.419 -15.896 1.00 63.22 H new ATOM 0 HG13 VAL A 60 16.986 -14.871 -17.575 1.00 63.22 H new ATOM 0 HG21 VAL A 60 14.785 -16.922 -18.259 1.00 41.43 H new ATOM 0 HG22 VAL A 60 16.169 -16.575 -19.322 1.00 41.43 H new ATOM 0 HG23 VAL A 60 15.849 -18.244 -18.794 1.00 41.43 H new ATOM 906 N ASN A 61 19.691 -16.251 -16.082 1.00 11.13 N ATOM 907 CA ASN A 61 20.509 -16.109 -14.883 1.00 22.02 C ATOM 908 C ASN A 61 19.667 -15.634 -13.702 1.00 61.54 C ATOM 909 O ASN A 61 18.831 -14.741 -13.842 1.00 62.30 O ATOM 910 CB ASN A 61 21.654 -15.126 -15.135 1.00 40.20 C ATOM 911 CG ASN A 61 22.684 -15.140 -14.022 1.00 61.11 C ATOM 912 OD1 ASN A 61 22.597 -15.941 -13.091 1.00 1.41 O ATOM 913 ND2 ASN A 61 23.666 -14.251 -14.114 1.00 65.31 N ATOM 0 H ASN A 61 19.733 -15.455 -16.718 1.00 11.13 H new ATOM 0 HA ASN A 61 20.925 -17.087 -14.640 1.00 22.02 H new ATOM 0 HB2 ASN A 61 22.140 -15.373 -16.079 1.00 40.20 H new ATOM 0 HB3 ASN A 61 21.249 -14.119 -15.239 1.00 40.20 H new ATOM 0 HD21 ASN A 61 24.388 -14.213 -13.395 1.00 65.31 H new ATOM 0 HD22 ASN A 61 23.698 -13.606 -14.904 1.00 65.31 H new ATOM 920 N TYR A 62 19.894 -16.238 -12.541 1.00 11.41 N ATOM 921 CA TYR A 62 19.155 -15.878 -11.336 1.00 62.42 C ATOM 922 C TYR A 62 19.348 -14.403 -10.999 1.00 15.02 C ATOM 923 O TYR A 62 18.503 -13.790 -10.347 1.00 2.50 O ATOM 924 CB TYR A 62 19.606 -16.745 -10.159 1.00 73.00 C ATOM 925 CG TYR A 62 19.167 -16.214 -8.813 1.00 42.41 C ATOM 926 CD1 TYR A 62 17.827 -15.959 -8.548 1.00 42.11 C ATOM 927 CD2 TYR A 62 20.093 -15.965 -7.807 1.00 74.30 C ATOM 928 CE1 TYR A 62 17.422 -15.473 -7.320 1.00 52.41 C ATOM 929 CE2 TYR A 62 19.696 -15.480 -6.576 1.00 22.53 C ATOM 930 CZ TYR A 62 18.360 -15.236 -6.337 1.00 51.52 C ATOM 931 OH TYR A 62 17.961 -14.751 -5.112 1.00 62.24 O ATOM 0 H TYR A 62 20.583 -16.978 -12.408 1.00 11.41 H new ATOM 0 HA TYR A 62 18.096 -16.053 -11.523 1.00 62.42 H new ATOM 0 HB2 TYR A 62 19.212 -17.753 -10.289 1.00 73.00 H new ATOM 0 HB3 TYR A 62 20.693 -16.824 -10.172 1.00 73.00 H new ATOM 0 HD1 TYR A 62 17.090 -16.144 -9.315 1.00 42.11 H new ATOM 0 HD2 TYR A 62 21.140 -16.154 -7.991 1.00 74.30 H new ATOM 0 HE1 TYR A 62 16.376 -15.280 -7.131 1.00 52.41 H new ATOM 0 HE2 TYR A 62 20.428 -15.293 -5.805 1.00 22.53 H new ATOM 0 HH TYR A 62 18.744 -14.640 -4.533 1.00 62.24 H new ATOM 941 N GLU A 63 20.465 -13.840 -11.449 1.00 32.52 N ATOM 942 CA GLU A 63 20.769 -12.437 -11.195 1.00 33.12 C ATOM 943 C GLU A 63 19.925 -11.528 -12.084 1.00 63.23 C ATOM 944 O GLU A 63 19.256 -10.615 -11.600 1.00 63.11 O ATOM 945 CB GLU A 63 22.255 -12.163 -11.431 1.00 65.31 C ATOM 946 CG GLU A 63 23.154 -12.682 -10.321 1.00 12.43 C ATOM 947 CD GLU A 63 24.183 -11.660 -9.879 1.00 5.14 C ATOM 948 OE1 GLU A 63 23.792 -10.507 -9.598 1.00 62.50 O ATOM 949 OE2 GLU A 63 25.380 -12.012 -9.813 1.00 74.25 O ATOM 0 H GLU A 63 21.174 -14.334 -11.991 1.00 32.52 H new ATOM 0 HA GLU A 63 20.529 -12.223 -10.154 1.00 33.12 H new ATOM 0 HB2 GLU A 63 22.555 -12.621 -12.374 1.00 65.31 H new ATOM 0 HB3 GLU A 63 22.405 -11.089 -11.536 1.00 65.31 H new ATOM 0 HG2 GLU A 63 22.541 -12.968 -9.466 1.00 12.43 H new ATOM 0 HG3 GLU A 63 23.665 -13.582 -10.663 1.00 12.43 H new ATOM 956 N ASP A 64 19.963 -11.785 -13.387 1.00 42.21 N ATOM 957 CA ASP A 64 19.203 -10.991 -14.345 1.00 54.02 C ATOM 958 C ASP A 64 17.739 -10.892 -13.928 1.00 13.31 C ATOM 959 O ASP A 64 17.189 -9.796 -13.811 1.00 34.43 O ATOM 960 CB ASP A 64 19.307 -11.602 -15.743 1.00 71.53 C ATOM 961 CG ASP A 64 19.235 -10.557 -16.839 1.00 62.31 C ATOM 962 OD1 ASP A 64 18.438 -9.607 -16.700 1.00 53.44 O ATOM 963 OD2 ASP A 64 19.976 -10.691 -17.836 1.00 11.50 O ATOM 0 H ASP A 64 20.512 -12.537 -13.804 1.00 42.21 H new ATOM 0 HA ASP A 64 19.626 -9.987 -14.364 1.00 54.02 H new ATOM 0 HB2 ASP A 64 20.246 -12.149 -15.828 1.00 71.53 H new ATOM 0 HB3 ASP A 64 18.503 -12.325 -15.881 1.00 71.53 H new ATOM 968 N PHE A 65 17.113 -12.043 -13.706 1.00 14.40 N ATOM 969 CA PHE A 65 15.712 -12.086 -13.304 1.00 15.32 C ATOM 970 C PHE A 65 15.462 -11.175 -12.105 1.00 74.11 C ATOM 971 O PHE A 65 14.598 -10.299 -12.146 1.00 74.10 O ATOM 972 CB PHE A 65 15.300 -13.520 -12.964 1.00 4.33 C ATOM 973 CG PHE A 65 13.845 -13.799 -13.205 1.00 75.24 C ATOM 974 CD1 PHE A 65 13.376 -14.043 -14.486 1.00 72.13 C ATOM 975 CD2 PHE A 65 12.945 -13.819 -12.152 1.00 10.41 C ATOM 976 CE1 PHE A 65 12.037 -14.300 -14.711 1.00 55.35 C ATOM 977 CE2 PHE A 65 11.604 -14.075 -12.371 1.00 25.11 C ATOM 978 CZ PHE A 65 11.150 -14.317 -13.652 1.00 60.04 C ATOM 0 H PHE A 65 17.554 -12.958 -13.798 1.00 14.40 H new ATOM 0 HA PHE A 65 15.109 -11.731 -14.140 1.00 15.32 H new ATOM 0 HB2 PHE A 65 15.897 -14.212 -13.558 1.00 4.33 H new ATOM 0 HB3 PHE A 65 15.531 -13.717 -11.917 1.00 4.33 H new ATOM 0 HD1 PHE A 65 14.065 -14.032 -15.318 1.00 72.13 H new ATOM 0 HD2 PHE A 65 13.295 -13.632 -11.148 1.00 10.41 H new ATOM 0 HE1 PHE A 65 11.684 -14.487 -15.714 1.00 55.35 H new ATOM 0 HE2 PHE A 65 10.913 -14.086 -11.541 1.00 25.11 H new ATOM 0 HZ PHE A 65 10.103 -14.519 -13.826 1.00 60.04 H new ATOM 988 N VAL A 66 16.224 -11.389 -11.038 1.00 22.44 N ATOM 989 CA VAL A 66 16.087 -10.589 -9.827 1.00 11.32 C ATOM 990 C VAL A 66 16.344 -9.113 -10.112 1.00 24.35 C ATOM 991 O VAL A 66 15.836 -8.239 -9.411 1.00 3.43 O ATOM 992 CB VAL A 66 17.054 -11.064 -8.727 1.00 22.43 C ATOM 993 CG1 VAL A 66 16.932 -10.186 -7.491 1.00 54.32 C ATOM 994 CG2 VAL A 66 16.793 -12.523 -8.382 1.00 14.21 C ATOM 0 H VAL A 66 16.943 -12.110 -10.987 1.00 22.44 H new ATOM 0 HA VAL A 66 15.062 -10.716 -9.478 1.00 11.32 H new ATOM 0 HB VAL A 66 18.073 -10.979 -9.103 1.00 22.43 H new ATOM 0 HG11 VAL A 66 17.623 -10.538 -6.725 1.00 54.32 H new ATOM 0 HG12 VAL A 66 17.173 -9.155 -7.752 1.00 54.32 H new ATOM 0 HG13 VAL A 66 15.912 -10.235 -7.109 1.00 54.32 H new ATOM 0 HG21 VAL A 66 17.485 -12.842 -7.603 1.00 14.21 H new ATOM 0 HG22 VAL A 66 15.769 -12.635 -8.026 1.00 14.21 H new ATOM 0 HG23 VAL A 66 16.937 -13.138 -9.270 1.00 14.21 H new ATOM 1004 N GLN A 67 17.136 -8.845 -11.145 1.00 22.13 N ATOM 1005 CA GLN A 67 17.461 -7.475 -11.522 1.00 2.41 C ATOM 1006 C GLN A 67 16.250 -6.776 -12.132 1.00 65.32 C ATOM 1007 O GLN A 67 15.860 -5.694 -11.694 1.00 61.45 O ATOM 1008 CB GLN A 67 18.627 -7.459 -12.512 1.00 51.43 C ATOM 1009 CG GLN A 67 19.919 -6.918 -11.922 1.00 42.42 C ATOM 1010 CD GLN A 67 20.812 -6.274 -12.964 1.00 51.54 C ATOM 1011 OE1 GLN A 67 20.472 -6.227 -14.147 1.00 14.01 O ATOM 1012 NE2 GLN A 67 21.962 -5.772 -12.530 1.00 43.24 N ATOM 0 H GLN A 67 17.564 -9.558 -11.735 1.00 22.13 H new ATOM 0 HA GLN A 67 17.752 -6.936 -10.620 1.00 2.41 H new ATOM 0 HB2 GLN A 67 18.799 -8.473 -12.874 1.00 51.43 H new ATOM 0 HB3 GLN A 67 18.351 -6.855 -13.376 1.00 51.43 H new ATOM 0 HG2 GLN A 67 19.683 -6.186 -11.149 1.00 42.42 H new ATOM 0 HG3 GLN A 67 20.460 -7.730 -11.437 1.00 42.42 H new ATOM 0 HE21 GLN A 67 22.204 -5.833 -11.541 1.00 43.24 H new ATOM 0 HE22 GLN A 67 22.603 -5.326 -13.186 1.00 43.24 H new ATOM 1021 N MET A 68 15.661 -7.402 -13.145 1.00 71.44 N ATOM 1022 CA MET A 68 14.494 -6.841 -13.815 1.00 55.31 C ATOM 1023 C MET A 68 13.280 -6.851 -12.892 1.00 14.15 C ATOM 1024 O MET A 68 12.472 -5.923 -12.903 1.00 12.40 O ATOM 1025 CB MET A 68 14.185 -7.625 -15.092 1.00 35.35 C ATOM 1026 CG MET A 68 13.919 -9.102 -14.848 1.00 24.11 C ATOM 1027 SD MET A 68 13.614 -10.014 -16.373 1.00 42.02 S ATOM 1028 CE MET A 68 12.180 -9.147 -17.005 1.00 1.31 C ATOM 0 H MET A 68 15.973 -8.298 -13.520 1.00 71.44 H new ATOM 0 HA MET A 68 14.720 -5.808 -14.078 1.00 55.31 H new ATOM 0 HB2 MET A 68 13.316 -7.183 -15.579 1.00 35.35 H new ATOM 0 HB3 MET A 68 15.022 -7.524 -15.782 1.00 35.35 H new ATOM 0 HG2 MET A 68 14.773 -9.540 -14.332 1.00 24.11 H new ATOM 0 HG3 MET A 68 13.058 -9.208 -14.188 1.00 24.11 H new ATOM 0 HE1 MET A 68 11.426 -9.870 -17.317 1.00 1.31 H new ATOM 0 HE2 MET A 68 11.769 -8.507 -16.224 1.00 1.31 H new ATOM 0 HE3 MET A 68 12.472 -8.536 -17.859 1.00 1.31 H new ATOM 1038 N MET A 69 13.158 -7.907 -12.093 1.00 53.44 N ATOM 1039 CA MET A 69 12.042 -8.036 -11.163 1.00 61.01 C ATOM 1040 C MET A 69 11.927 -6.800 -10.277 1.00 24.05 C ATOM 1041 O MET A 69 10.837 -6.443 -9.829 1.00 21.14 O ATOM 1042 CB MET A 69 12.215 -9.285 -10.297 1.00 31.12 C ATOM 1043 CG MET A 69 11.530 -10.518 -10.864 1.00 41.25 C ATOM 1044 SD MET A 69 9.734 -10.438 -10.731 1.00 52.31 S ATOM 1045 CE MET A 69 9.260 -10.579 -12.453 1.00 11.13 C ATOM 0 H MET A 69 13.818 -8.685 -12.071 1.00 53.44 H new ATOM 0 HA MET A 69 11.125 -8.130 -11.745 1.00 61.01 H new ATOM 0 HB2 MET A 69 13.279 -9.492 -10.181 1.00 31.12 H new ATOM 0 HB3 MET A 69 11.818 -9.085 -9.302 1.00 31.12 H new ATOM 0 HG2 MET A 69 11.808 -10.634 -11.912 1.00 41.25 H new ATOM 0 HG3 MET A 69 11.890 -11.403 -10.339 1.00 41.25 H new ATOM 0 HE1 MET A 69 8.174 -10.546 -12.535 1.00 11.13 H new ATOM 0 HE2 MET A 69 9.692 -9.753 -13.018 1.00 11.13 H new ATOM 0 HE3 MET A 69 9.625 -11.524 -12.855 1.00 11.13 H new ATOM 1055 N THR A 70 13.059 -6.150 -10.026 1.00 5.41 N ATOM 1056 CA THR A 70 13.086 -4.955 -9.192 1.00 11.32 C ATOM 1057 C THR A 70 12.591 -3.736 -9.962 1.00 11.33 C ATOM 1058 O THR A 70 11.764 -2.971 -9.466 1.00 53.04 O ATOM 1059 CB THR A 70 14.504 -4.671 -8.661 1.00 31.51 C ATOM 1060 OG1 THR A 70 15.060 -5.861 -8.089 1.00 54.21 O ATOM 1061 CG2 THR A 70 14.480 -3.564 -7.618 1.00 30.52 C ATOM 0 H THR A 70 13.970 -6.431 -10.389 1.00 5.41 H new ATOM 0 HA THR A 70 12.422 -5.144 -8.349 1.00 11.32 H new ATOM 0 HB THR A 70 15.123 -4.346 -9.497 1.00 31.51 H new ATOM 0 HG1 THR A 70 15.256 -6.506 -8.801 1.00 54.21 H new ATOM 0 HG21 THR A 70 15.492 -3.381 -7.258 1.00 30.52 H new ATOM 0 HG22 THR A 70 14.084 -2.652 -8.064 1.00 30.52 H new ATOM 0 HG23 THR A 70 13.847 -3.864 -6.783 1.00 30.52 H new ATOM 1069 N ALA A 71 13.102 -3.561 -11.176 1.00 11.10 N ATOM 1070 CA ALA A 71 12.709 -2.436 -12.015 1.00 41.23 C ATOM 1071 C ALA A 71 11.210 -2.456 -12.295 1.00 22.32 C ATOM 1072 O ALA A 71 10.501 -1.491 -12.009 1.00 23.12 O ATOM 1073 CB ALA A 71 13.492 -2.452 -13.320 1.00 75.42 C ATOM 0 H ALA A 71 13.789 -4.184 -11.600 1.00 11.10 H new ATOM 0 HA ALA A 71 12.939 -1.516 -11.477 1.00 41.23 H new ATOM 0 HB1 ALA A 71 13.188 -1.606 -13.937 1.00 75.42 H new ATOM 0 HB2 ALA A 71 14.558 -2.380 -13.105 1.00 75.42 H new ATOM 0 HB3 ALA A 71 13.291 -3.381 -13.854 1.00 75.42 H new