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 -103:sc= -1.12 (180deg=-6.53!) USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 48 MET CE :methyl 160:sc= -0.952 (180deg=-2.96!) USER MOD Single : A 59 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 61 ASN : amide:sc= -3.28! X(o=-3.3!,f=-3.4) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.858 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,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 -39:sc= 0.022 USER MOD ----------------------------------------------------------------- ATOM 67 N GLU A 6 11.118 -10.623 -2.537 1.00 12.41 N ATOM 68 CA GLU A 6 11.948 -11.065 -3.651 1.00 71.30 C ATOM 69 C GLU A 6 12.804 -12.263 -3.249 1.00 72.15 C ATOM 70 O GLU A 6 13.172 -13.085 -4.088 1.00 54.45 O ATOM 71 CB GLU A 6 12.844 -9.923 -4.134 1.00 2.15 C ATOM 72 CG GLU A 6 13.820 -9.428 -3.079 1.00 65.44 C ATOM 73 CD GLU A 6 14.696 -8.296 -3.580 1.00 61.34 C ATOM 74 OE1 GLU A 6 14.344 -7.687 -4.612 1.00 13.51 O ATOM 75 OE2 GLU A 6 15.733 -8.020 -2.942 1.00 61.40 O ATOM 0 HA GLU A 6 11.288 -11.368 -4.464 1.00 71.30 H new ATOM 0 HB2 GLU A 6 13.404 -10.256 -5.008 1.00 2.15 H new ATOM 0 HB3 GLU A 6 12.217 -9.091 -4.456 1.00 2.15 H new ATOM 0 HG2 GLU A 6 13.264 -9.092 -2.204 1.00 65.44 H new ATOM 0 HG3 GLU A 6 14.452 -10.256 -2.757 1.00 65.44 H new ATOM 82 N GLU A 7 13.117 -12.354 -1.961 1.00 12.14 N ATOM 83 CA GLU A 7 13.931 -13.450 -1.448 1.00 75.12 C ATOM 84 C GLU A 7 13.301 -14.799 -1.786 1.00 43.31 C ATOM 85 O GLU A 7 14.004 -15.774 -2.048 1.00 61.12 O ATOM 86 CB GLU A 7 14.104 -13.321 0.067 1.00 61.15 C ATOM 87 CG GLU A 7 15.133 -12.280 0.475 1.00 55.22 C ATOM 88 CD GLU A 7 15.639 -12.483 1.890 1.00 55.03 C ATOM 89 OE1 GLU A 7 16.254 -13.537 2.153 1.00 30.43 O ATOM 90 OE2 GLU A 7 15.419 -11.589 2.733 1.00 1.31 O ATOM 0 H GLU A 7 12.820 -11.682 -1.253 1.00 12.14 H new ATOM 0 HA GLU A 7 14.910 -13.395 -1.924 1.00 75.12 H new ATOM 0 HB2 GLU A 7 13.143 -13.065 0.514 1.00 61.15 H new ATOM 0 HB3 GLU A 7 14.397 -14.289 0.475 1.00 61.15 H new ATOM 0 HG2 GLU A 7 15.975 -12.316 -0.217 1.00 55.22 H new ATOM 0 HG3 GLU A 7 14.693 -11.287 0.390 1.00 55.22 H new ATOM 97 N GLU A 8 11.973 -14.844 -1.777 1.00 32.33 N ATOM 98 CA GLU A 8 11.249 -16.073 -2.081 1.00 21.24 C ATOM 99 C GLU A 8 11.439 -16.469 -3.542 1.00 70.21 C ATOM 100 O GLU A 8 11.109 -17.586 -3.941 1.00 74.22 O ATOM 101 CB GLU A 8 9.759 -15.903 -1.776 1.00 43.45 C ATOM 102 CG GLU A 8 9.101 -17.160 -1.233 1.00 2.41 C ATOM 103 CD GLU A 8 7.958 -16.856 -0.284 1.00 71.02 C ATOM 104 OE1 GLU A 8 8.099 -15.923 0.534 1.00 54.32 O ATOM 105 OE2 GLU A 8 6.923 -17.551 -0.359 1.00 63.12 O ATOM 0 H GLU A 8 11.377 -14.045 -1.563 1.00 32.33 H new ATOM 0 HA GLU A 8 11.652 -16.867 -1.452 1.00 21.24 H new ATOM 0 HB2 GLU A 8 9.635 -15.097 -1.053 1.00 43.45 H new ATOM 0 HB3 GLU A 8 9.243 -15.597 -2.686 1.00 43.45 H new ATOM 0 HG2 GLU A 8 8.729 -17.759 -2.064 1.00 2.41 H new ATOM 0 HG3 GLU A 8 9.848 -17.762 -0.715 1.00 2.41 H new ATOM 112 N ILE A 9 11.972 -15.546 -4.335 1.00 4.45 N ATOM 113 CA ILE A 9 12.207 -15.798 -5.751 1.00 14.11 C ATOM 114 C ILE A 9 13.518 -16.545 -5.967 1.00 22.34 C ATOM 115 O ILE A 9 13.602 -17.444 -6.804 1.00 11.11 O ATOM 116 CB ILE A 9 12.237 -14.487 -6.559 1.00 30.13 C ATOM 117 CG1 ILE A 9 10.973 -13.668 -6.291 1.00 34.10 C ATOM 118 CG2 ILE A 9 12.378 -14.784 -8.044 1.00 51.43 C ATOM 119 CD1 ILE A 9 9.706 -14.335 -6.780 1.00 31.03 C ATOM 0 H ILE A 9 12.249 -14.616 -4.021 1.00 4.45 H new ATOM 0 HA ILE A 9 11.379 -16.413 -6.103 1.00 14.11 H new ATOM 0 HB ILE A 9 13.100 -13.901 -6.242 1.00 30.13 H new ATOM 0 HG12 ILE A 9 10.888 -13.486 -5.220 1.00 34.10 H new ATOM 0 HG13 ILE A 9 11.071 -12.695 -6.773 1.00 34.10 H new ATOM 0 HG21 ILE A 9 12.398 -13.848 -8.602 1.00 51.43 H new ATOM 0 HG22 ILE A 9 13.305 -15.331 -8.219 1.00 51.43 H new ATOM 0 HG23 ILE A 9 11.533 -15.387 -8.376 1.00 51.43 H new ATOM 0 HD11 ILE A 9 8.850 -13.698 -6.557 1.00 31.03 H new ATOM 0 HD12 ILE A 9 9.770 -14.493 -7.857 1.00 31.03 H new ATOM 0 HD13 ILE A 9 9.584 -15.296 -6.279 1.00 31.03 H new ATOM 131 N ARG A 10 14.540 -16.169 -5.204 1.00 53.02 N ATOM 132 CA ARG A 10 15.848 -16.804 -5.311 1.00 74.03 C ATOM 133 C ARG A 10 15.738 -18.312 -5.109 1.00 73.52 C ATOM 134 O ARG A 10 16.407 -19.089 -5.790 1.00 33.33 O ATOM 135 CB ARG A 10 16.812 -16.210 -4.283 1.00 43.03 C ATOM 136 CG ARG A 10 18.115 -16.982 -4.154 1.00 3.23 C ATOM 137 CD ARG A 10 19.161 -16.185 -3.389 1.00 60.14 C ATOM 138 NE ARG A 10 19.277 -16.624 -2.002 1.00 24.45 N ATOM 139 CZ ARG A 10 20.103 -16.069 -1.122 1.00 0.04 C ATOM 140 NH1 ARG A 10 20.880 -15.058 -1.484 1.00 4.24 N ATOM 141 NH2 ARG A 10 20.152 -16.525 0.124 1.00 52.33 N ATOM 0 H ARG A 10 14.487 -15.428 -4.505 1.00 53.02 H new ATOM 0 HA ARG A 10 16.235 -16.616 -6.313 1.00 74.03 H new ATOM 0 HB2 ARG A 10 17.036 -15.180 -4.560 1.00 43.03 H new ATOM 0 HB3 ARG A 10 16.320 -16.179 -3.311 1.00 43.03 H new ATOM 0 HG2 ARG A 10 17.930 -17.927 -3.643 1.00 3.23 H new ATOM 0 HG3 ARG A 10 18.495 -17.225 -5.146 1.00 3.23 H new ATOM 0 HD2 ARG A 10 20.127 -16.287 -3.883 1.00 60.14 H new ATOM 0 HD3 ARG A 10 18.900 -15.127 -3.414 1.00 60.14 H new ATOM 0 HE ARG A 10 18.692 -17.399 -1.691 1.00 24.45 H new ATOM 0 HH11 ARG A 10 20.845 -14.704 -2.440 1.00 4.24 H new ATOM 0 HH12 ARG A 10 21.513 -14.634 -0.806 1.00 4.24 H new ATOM 0 HH21 ARG A 10 19.555 -17.302 0.406 1.00 52.33 H new ATOM 0 HH22 ARG A 10 20.787 -16.098 0.799 1.00 52.33 H new ATOM 155 N GLU A 11 14.890 -18.718 -4.169 1.00 72.32 N ATOM 156 CA GLU A 11 14.694 -20.134 -3.877 1.00 42.53 C ATOM 157 C GLU A 11 13.703 -20.759 -4.855 1.00 12.44 C ATOM 158 O GLU A 11 13.755 -21.958 -5.126 1.00 43.35 O ATOM 159 CB GLU A 11 14.197 -20.317 -2.442 1.00 32.10 C ATOM 160 CG GLU A 11 13.697 -21.721 -2.146 1.00 31.01 C ATOM 161 CD GLU A 11 14.069 -22.191 -0.753 1.00 14.01 C ATOM 162 OE1 GLU A 11 13.895 -21.408 0.204 1.00 11.01 O ATOM 163 OE2 GLU A 11 14.533 -23.343 -0.620 1.00 42.34 O ATOM 0 H GLU A 11 14.328 -18.087 -3.597 1.00 72.32 H new ATOM 0 HA GLU A 11 15.654 -20.638 -3.988 1.00 42.53 H new ATOM 0 HB2 GLU A 11 15.006 -20.076 -1.753 1.00 32.10 H new ATOM 0 HB3 GLU A 11 13.393 -19.606 -2.251 1.00 32.10 H new ATOM 0 HG2 GLU A 11 12.613 -21.748 -2.257 1.00 31.01 H new ATOM 0 HG3 GLU A 11 14.110 -22.412 -2.881 1.00 31.01 H new ATOM 170 N ALA A 12 12.800 -19.937 -5.379 1.00 14.32 N ATOM 171 CA ALA A 12 11.797 -20.407 -6.327 1.00 22.55 C ATOM 172 C ALA A 12 12.444 -20.852 -7.634 1.00 32.10 C ATOM 173 O ALA A 12 12.019 -21.832 -8.247 1.00 11.23 O ATOM 174 CB ALA A 12 10.766 -19.319 -6.589 1.00 24.45 C ATOM 0 H ALA A 12 12.742 -18.942 -5.163 1.00 14.32 H new ATOM 0 HA ALA A 12 11.294 -21.269 -5.889 1.00 22.55 H new ATOM 0 HB1 ALA A 12 10.024 -19.684 -7.299 1.00 24.45 H new ATOM 0 HB2 ALA A 12 10.274 -19.052 -5.654 1.00 24.45 H new ATOM 0 HB3 ALA A 12 11.261 -18.440 -7.002 1.00 24.45 H new ATOM 180 N PHE A 13 13.473 -20.126 -8.057 1.00 1.43 N ATOM 181 CA PHE A 13 14.178 -20.444 -9.293 1.00 74.50 C ATOM 182 C PHE A 13 15.257 -21.495 -9.049 1.00 34.33 C ATOM 183 O PHE A 13 15.718 -22.155 -9.980 1.00 74.31 O ATOM 184 CB PHE A 13 14.805 -19.182 -9.888 1.00 13.11 C ATOM 185 CG PHE A 13 13.927 -18.493 -10.894 1.00 21.43 C ATOM 186 CD1 PHE A 13 12.972 -17.576 -10.486 1.00 75.54 C ATOM 187 CD2 PHE A 13 14.057 -18.764 -12.246 1.00 44.54 C ATOM 188 CE1 PHE A 13 12.162 -16.941 -11.409 1.00 45.24 C ATOM 189 CE2 PHE A 13 13.252 -18.131 -13.174 1.00 14.31 C ATOM 190 CZ PHE A 13 12.302 -17.219 -12.755 1.00 22.21 C ATOM 0 H PHE A 13 13.838 -19.312 -7.561 1.00 1.43 H new ATOM 0 HA PHE A 13 13.454 -20.849 -10.000 1.00 74.50 H new ATOM 0 HB2 PHE A 13 15.036 -18.486 -9.082 1.00 13.11 H new ATOM 0 HB3 PHE A 13 15.751 -19.445 -10.362 1.00 13.11 H new ATOM 0 HD1 PHE A 13 12.859 -17.355 -9.435 1.00 75.54 H new ATOM 0 HD2 PHE A 13 14.796 -19.478 -12.579 1.00 44.54 H new ATOM 0 HE1 PHE A 13 11.421 -16.229 -11.078 1.00 45.24 H new ATOM 0 HE2 PHE A 13 13.365 -18.349 -14.226 1.00 14.31 H new ATOM 0 HZ PHE A 13 11.670 -16.725 -13.478 1.00 22.21 H new ATOM 200 N ARG A 14 15.655 -21.644 -7.789 1.00 71.15 N ATOM 201 CA ARG A 14 16.681 -22.613 -7.422 1.00 13.30 C ATOM 202 C ARG A 14 16.075 -24.000 -7.231 1.00 71.24 C ATOM 203 O ARG A 14 16.701 -25.011 -7.550 1.00 33.43 O ATOM 204 CB ARG A 14 17.391 -22.174 -6.140 1.00 14.11 C ATOM 205 CG ARG A 14 18.471 -21.130 -6.369 1.00 24.01 C ATOM 206 CD ARG A 14 19.051 -20.631 -5.055 1.00 3.03 C ATOM 207 NE ARG A 14 20.116 -21.500 -4.561 1.00 70.21 N ATOM 208 CZ ARG A 14 20.657 -21.387 -3.353 1.00 53.31 C ATOM 209 NH1 ARG A 14 20.234 -20.446 -2.520 1.00 3.21 N ATOM 210 NH2 ARG A 14 21.622 -22.216 -2.976 1.00 52.33 N ATOM 0 H ARG A 14 15.283 -21.106 -7.006 1.00 71.15 H new ATOM 0 HA ARG A 14 17.407 -22.661 -8.233 1.00 13.30 H new ATOM 0 HB2 ARG A 14 16.653 -21.774 -5.445 1.00 14.11 H new ATOM 0 HB3 ARG A 14 17.837 -23.048 -5.664 1.00 14.11 H new ATOM 0 HG2 ARG A 14 19.266 -21.556 -6.981 1.00 24.01 H new ATOM 0 HG3 ARG A 14 18.055 -20.291 -6.926 1.00 24.01 H new ATOM 0 HD2 ARG A 14 19.440 -19.622 -5.191 1.00 3.03 H new ATOM 0 HD3 ARG A 14 18.258 -20.569 -4.309 1.00 3.03 H new ATOM 0 HE ARG A 14 20.464 -22.234 -5.178 1.00 70.21 H new ATOM 0 HH11 ARG A 14 19.492 -19.807 -2.806 1.00 3.21 H new ATOM 0 HH12 ARG A 14 20.651 -20.361 -1.593 1.00 3.21 H new ATOM 0 HH21 ARG A 14 21.949 -22.941 -3.614 1.00 52.33 H new ATOM 0 HH22 ARG A 14 22.036 -22.128 -2.048 1.00 52.33 H new ATOM 224 N VAL A 15 14.853 -24.040 -6.709 1.00 61.32 N ATOM 225 CA VAL A 15 14.162 -25.303 -6.476 1.00 43.15 C ATOM 226 C VAL A 15 13.613 -25.877 -7.778 1.00 10.23 C ATOM 227 O VAL A 15 13.420 -27.086 -7.903 1.00 24.41 O ATOM 228 CB VAL A 15 13.005 -25.133 -5.474 1.00 61.12 C ATOM 229 CG1 VAL A 15 12.230 -26.434 -5.328 1.00 2.23 C ATOM 230 CG2 VAL A 15 13.532 -24.662 -4.127 1.00 63.42 C ATOM 0 H VAL A 15 14.321 -23.212 -6.439 1.00 61.32 H new ATOM 0 HA VAL A 15 14.895 -25.993 -6.059 1.00 43.15 H new ATOM 0 HB VAL A 15 12.324 -24.373 -5.857 1.00 61.12 H new ATOM 0 HG11 VAL A 15 11.416 -26.295 -4.616 1.00 2.23 H new ATOM 0 HG12 VAL A 15 11.820 -26.724 -6.295 1.00 2.23 H new ATOM 0 HG13 VAL A 15 12.898 -27.217 -4.968 1.00 2.23 H new ATOM 0 HG21 VAL A 15 12.701 -24.547 -3.431 1.00 63.42 H new ATOM 0 HG22 VAL A 15 14.235 -25.397 -3.734 1.00 63.42 H new ATOM 0 HG23 VAL A 15 14.038 -23.704 -4.249 1.00 63.42 H new ATOM 240 N PHE A 16 13.363 -25.001 -8.745 1.00 53.22 N ATOM 241 CA PHE A 16 12.835 -25.420 -10.038 1.00 72.02 C ATOM 242 C PHE A 16 13.873 -26.224 -10.815 1.00 22.31 C ATOM 243 O PHE A 16 13.635 -27.375 -11.182 1.00 61.01 O ATOM 244 CB PHE A 16 12.402 -24.201 -10.856 1.00 33.15 C ATOM 245 CG PHE A 16 10.912 -24.026 -10.926 1.00 53.53 C ATOM 246 CD1 PHE A 16 10.139 -24.078 -9.777 1.00 42.03 C ATOM 247 CD2 PHE A 16 10.283 -23.808 -12.142 1.00 64.51 C ATOM 248 CE1 PHE A 16 8.768 -23.916 -9.839 1.00 31.42 C ATOM 249 CE2 PHE A 16 8.913 -23.646 -12.210 1.00 13.22 C ATOM 250 CZ PHE A 16 8.154 -23.701 -11.057 1.00 32.00 C ATOM 0 H PHE A 16 13.517 -23.997 -8.658 1.00 53.22 H new ATOM 0 HA PHE A 16 11.968 -26.056 -9.859 1.00 72.02 H new ATOM 0 HB2 PHE A 16 12.845 -23.305 -10.421 1.00 33.15 H new ATOM 0 HB3 PHE A 16 12.797 -24.293 -11.868 1.00 33.15 H new ATOM 0 HD1 PHE A 16 10.614 -24.247 -8.822 1.00 42.03 H new ATOM 0 HD2 PHE A 16 10.871 -23.764 -13.047 1.00 64.51 H new ATOM 0 HE1 PHE A 16 8.177 -23.958 -8.936 1.00 31.42 H new ATOM 0 HE2 PHE A 16 8.436 -23.476 -13.164 1.00 13.22 H new ATOM 0 HZ PHE A 16 7.082 -23.576 -11.108 1.00 32.00 H new ATOM 260 N ASP A 17 15.025 -25.610 -11.062 1.00 12.14 N ATOM 261 CA ASP A 17 16.101 -26.268 -11.794 1.00 53.30 C ATOM 262 C ASP A 17 16.633 -27.468 -11.017 1.00 10.53 C ATOM 263 O ASP A 17 16.719 -27.437 -9.789 1.00 23.11 O ATOM 264 CB ASP A 17 17.235 -25.280 -12.072 1.00 23.31 C ATOM 265 CG ASP A 17 18.119 -25.723 -13.221 1.00 42.44 C ATOM 266 OD1 ASP A 17 17.686 -25.596 -14.386 1.00 43.21 O ATOM 267 OD2 ASP A 17 19.244 -26.195 -12.956 1.00 43.24 O ATOM 0 H ASP A 17 15.238 -24.657 -10.766 1.00 12.14 H new ATOM 0 HA ASP A 17 15.698 -26.623 -12.743 1.00 53.30 H new ATOM 0 HB2 ASP A 17 16.813 -24.301 -12.299 1.00 23.31 H new ATOM 0 HB3 ASP A 17 17.842 -25.165 -11.174 1.00 23.31 H new ATOM 272 N LYS A 18 16.988 -28.524 -11.740 1.00 31.22 N ATOM 273 CA LYS A 18 17.512 -29.735 -11.120 1.00 30.35 C ATOM 274 C LYS A 18 18.976 -29.557 -10.730 1.00 31.21 C ATOM 275 O LYS A 18 19.852 -30.262 -11.232 1.00 32.14 O ATOM 276 CB LYS A 18 17.368 -30.924 -12.072 1.00 73.31 C ATOM 277 CG LYS A 18 15.931 -31.375 -12.269 1.00 53.34 C ATOM 278 CD LYS A 18 15.847 -32.590 -13.178 1.00 52.53 C ATOM 279 CE LYS A 18 14.438 -33.162 -13.215 1.00 42.00 C ATOM 280 NZ LYS A 18 14.345 -34.454 -12.481 1.00 63.41 N ATOM 0 H LYS A 18 16.922 -28.566 -12.757 1.00 31.22 H new ATOM 0 HA LYS A 18 16.934 -29.929 -10.216 1.00 30.35 H new ATOM 0 HB2 LYS A 18 17.792 -30.657 -13.040 1.00 73.31 H new ATOM 0 HB3 LYS A 18 17.953 -31.760 -11.687 1.00 73.31 H new ATOM 0 HG2 LYS A 18 15.487 -31.612 -11.302 1.00 53.34 H new ATOM 0 HG3 LYS A 18 15.348 -30.559 -12.696 1.00 53.34 H new ATOM 0 HD2 LYS A 18 16.155 -32.313 -14.186 1.00 52.53 H new ATOM 0 HD3 LYS A 18 16.542 -33.354 -12.831 1.00 52.53 H new ATOM 0 HE2 LYS A 18 13.743 -32.445 -12.778 1.00 42.00 H new ATOM 0 HE3 LYS A 18 14.133 -33.310 -14.251 1.00 42.00 H new ATOM 0 HZ1 LYS A 18 13.369 -34.811 -12.529 1.00 63.41 H new ATOM 0 HZ2 LYS A 18 14.989 -35.146 -12.914 1.00 63.41 H new ATOM 0 HZ3 LYS A 18 14.611 -34.308 -11.486 1.00 63.41 H new ATOM 327 N GLY A 22 21.384 -22.354 -11.270 1.00 2.04 N ATOM 328 CA GLY A 22 21.910 -22.102 -12.599 1.00 14.24 C ATOM 329 C GLY A 22 20.947 -21.310 -13.462 1.00 24.11 C ATOM 330 O GLY A 22 20.383 -20.310 -13.018 1.00 1.02 O ATOM 0 HA2 GLY A 22 22.851 -21.558 -12.517 1.00 14.24 H new ATOM 0 HA3 GLY A 22 22.132 -23.052 -13.085 1.00 14.24 H new ATOM 334 N TYR A 23 20.761 -21.757 -14.699 1.00 13.51 N ATOM 335 CA TYR A 23 19.863 -21.080 -15.628 1.00 63.41 C ATOM 336 C TYR A 23 18.741 -22.012 -16.077 1.00 1.52 C ATOM 337 O TYR A 23 18.927 -23.225 -16.170 1.00 71.31 O ATOM 338 CB TYR A 23 20.641 -20.577 -16.845 1.00 54.34 C ATOM 339 CG TYR A 23 21.936 -19.882 -16.492 1.00 23.44 C ATOM 340 CD1 TYR A 23 22.016 -19.035 -15.393 1.00 34.30 C ATOM 341 CD2 TYR A 23 23.081 -20.072 -17.256 1.00 74.31 C ATOM 342 CE1 TYR A 23 23.197 -18.398 -15.066 1.00 60.11 C ATOM 343 CE2 TYR A 23 24.267 -19.441 -16.936 1.00 14.50 C ATOM 344 CZ TYR A 23 24.320 -18.604 -15.840 1.00 72.33 C ATOM 345 OH TYR A 23 25.499 -17.972 -15.519 1.00 11.11 O ATOM 0 H TYR A 23 21.219 -22.584 -15.082 1.00 13.51 H new ATOM 0 HA TYR A 23 19.419 -20.229 -15.111 1.00 63.41 H new ATOM 0 HB2 TYR A 23 20.858 -21.420 -17.501 1.00 54.34 H new ATOM 0 HB3 TYR A 23 20.011 -19.889 -17.409 1.00 54.34 H new ATOM 0 HD1 TYR A 23 21.139 -18.872 -14.784 1.00 34.30 H new ATOM 0 HD2 TYR A 23 23.043 -20.725 -18.115 1.00 74.31 H new ATOM 0 HE1 TYR A 23 23.241 -17.742 -14.209 1.00 60.11 H new ATOM 0 HE2 TYR A 23 25.148 -19.602 -17.540 1.00 14.50 H new ATOM 0 HH TYR A 23 26.192 -18.226 -16.164 1.00 11.11 H new ATOM 355 N ILE A 24 17.577 -21.434 -16.354 1.00 1.22 N ATOM 356 CA ILE A 24 16.425 -22.210 -16.794 1.00 61.54 C ATOM 357 C ILE A 24 16.152 -21.995 -18.279 1.00 41.21 C ATOM 358 O ILE A 24 16.802 -21.174 -18.927 1.00 74.45 O ATOM 359 CB ILE A 24 15.161 -21.847 -15.993 1.00 40.54 C ATOM 360 CG1 ILE A 24 14.953 -20.331 -15.989 1.00 15.22 C ATOM 361 CG2 ILE A 24 15.264 -22.377 -14.571 1.00 43.22 C ATOM 362 CD1 ILE A 24 13.530 -19.916 -16.294 1.00 44.53 C ATOM 0 H ILE A 24 17.407 -20.431 -16.281 1.00 1.22 H new ATOM 0 HA ILE A 24 16.666 -23.259 -16.619 1.00 61.54 H new ATOM 0 HB ILE A 24 14.299 -22.313 -16.471 1.00 40.54 H new ATOM 0 HG12 ILE A 24 15.237 -19.936 -15.014 1.00 15.22 H new ATOM 0 HG13 ILE A 24 15.620 -19.879 -16.723 1.00 15.22 H new ATOM 0 HG21 ILE A 24 14.363 -22.112 -14.018 1.00 43.22 H new ATOM 0 HG22 ILE A 24 15.370 -23.462 -14.594 1.00 43.22 H new ATOM 0 HG23 ILE A 24 16.133 -21.938 -14.081 1.00 43.22 H new ATOM 0 HD11 ILE A 24 13.456 -18.829 -16.274 1.00 44.53 H new ATOM 0 HD12 ILE A 24 13.248 -20.281 -17.282 1.00 44.53 H new ATOM 0 HD13 ILE A 24 12.859 -20.339 -15.546 1.00 44.53 H new ATOM 374 N SER A 25 15.185 -22.736 -18.811 1.00 44.22 N ATOM 375 CA SER A 25 14.827 -22.627 -20.221 1.00 31.45 C ATOM 376 C SER A 25 13.623 -21.709 -20.406 1.00 35.43 C ATOM 377 O SER A 25 12.975 -21.313 -19.437 1.00 23.52 O ATOM 378 CB SER A 25 14.522 -24.011 -20.799 1.00 11.51 C ATOM 379 OG SER A 25 15.715 -24.732 -21.051 1.00 61.15 O ATOM 0 H SER A 25 14.636 -23.418 -18.288 1.00 44.22 H new ATOM 0 HA SER A 25 15.675 -22.197 -20.754 1.00 31.45 H new ATOM 0 HB2 SER A 25 13.896 -24.569 -20.103 1.00 11.51 H new ATOM 0 HB3 SER A 25 13.955 -23.905 -21.724 1.00 11.51 H new ATOM 0 HG SER A 25 15.493 -25.613 -21.418 1.00 61.15 H new ATOM 385 N ALA A 26 13.328 -21.375 -21.658 1.00 23.02 N ATOM 386 CA ALA A 26 12.201 -20.506 -21.972 1.00 2.33 C ATOM 387 C ALA A 26 10.941 -20.954 -21.239 1.00 23.11 C ATOM 388 O ALA A 26 10.217 -20.136 -20.672 1.00 62.33 O ATOM 389 CB ALA A 26 11.959 -20.477 -23.473 1.00 72.25 C ATOM 0 H ALA A 26 13.854 -21.693 -22.472 1.00 23.02 H new ATOM 0 HA ALA A 26 12.446 -19.499 -21.636 1.00 2.33 H new ATOM 0 HB1 ALA A 26 11.114 -19.824 -23.693 1.00 72.25 H new ATOM 0 HB2 ALA A 26 12.849 -20.101 -23.978 1.00 72.25 H new ATOM 0 HB3 ALA A 26 11.740 -21.485 -23.826 1.00 72.25 H new ATOM 395 N ALA A 27 10.685 -22.258 -21.255 1.00 65.21 N ATOM 396 CA ALA A 27 9.514 -22.815 -20.591 1.00 35.00 C ATOM 397 C ALA A 27 9.398 -22.301 -19.160 1.00 34.31 C ATOM 398 O ALA A 27 8.419 -21.645 -18.803 1.00 41.13 O ATOM 399 CB ALA A 27 9.572 -24.335 -20.605 1.00 34.41 C ATOM 0 H ALA A 27 11.274 -22.948 -21.721 1.00 65.21 H new ATOM 0 HA ALA A 27 8.629 -22.491 -21.138 1.00 35.00 H new ATOM 0 HB1 ALA A 27 8.691 -24.737 -20.105 1.00 34.41 H new ATOM 0 HB2 ALA A 27 9.598 -24.689 -21.636 1.00 34.41 H new ATOM 0 HB3 ALA A 27 10.469 -24.670 -20.084 1.00 34.41 H new ATOM 405 N ASP A 28 10.401 -22.605 -18.344 1.00 44.44 N ATOM 406 CA ASP A 28 10.412 -22.173 -16.951 1.00 41.15 C ATOM 407 C ASP A 28 10.312 -20.654 -16.853 1.00 3.15 C ATOM 408 O ASP A 28 9.740 -20.119 -15.902 1.00 23.23 O ATOM 409 CB ASP A 28 11.683 -22.659 -16.254 1.00 65.42 C ATOM 410 CG ASP A 28 11.471 -23.959 -15.502 1.00 54.54 C ATOM 411 OD1 ASP A 28 10.417 -24.597 -15.708 1.00 2.41 O ATOM 412 OD2 ASP A 28 12.357 -24.337 -14.708 1.00 11.23 O ATOM 0 H ASP A 28 11.217 -23.149 -18.623 1.00 44.44 H new ATOM 0 HA ASP A 28 9.546 -22.609 -16.454 1.00 41.15 H new ATOM 0 HB2 ASP A 28 12.471 -22.796 -16.995 1.00 65.42 H new ATOM 0 HB3 ASP A 28 12.028 -21.893 -15.559 1.00 65.42 H new ATOM 417 N LEU A 29 10.873 -19.964 -17.840 1.00 10.15 N ATOM 418 CA LEU A 29 10.848 -18.505 -17.864 1.00 23.53 C ATOM 419 C LEU A 29 9.420 -17.987 -18.001 1.00 23.23 C ATOM 420 O LEU A 29 8.921 -17.277 -17.128 1.00 51.31 O ATOM 421 CB LEU A 29 11.706 -17.980 -19.016 1.00 64.31 C ATOM 422 CG LEU A 29 12.259 -16.564 -18.850 1.00 63.41 C ATOM 423 CD1 LEU A 29 11.126 -15.552 -18.797 1.00 42.44 C ATOM 424 CD2 LEU A 29 13.119 -16.471 -17.598 1.00 22.10 C ATOM 0 H LEU A 29 11.351 -20.391 -18.634 1.00 10.15 H new ATOM 0 HA LEU A 29 11.257 -18.143 -16.920 1.00 23.53 H new ATOM 0 HB2 LEU A 29 12.545 -18.662 -19.158 1.00 64.31 H new ATOM 0 HB3 LEU A 29 11.111 -18.012 -19.929 1.00 64.31 H new ATOM 0 HG LEU A 29 12.884 -16.335 -19.713 1.00 63.41 H new ATOM 0 HD11 LEU A 29 11.538 -14.550 -18.679 1.00 42.44 H new ATOM 0 HD12 LEU A 29 10.551 -15.601 -19.722 1.00 42.44 H new ATOM 0 HD13 LEU A 29 10.475 -15.779 -17.953 1.00 42.44 H new ATOM 0 HD21 LEU A 29 13.504 -15.456 -17.496 1.00 22.10 H new ATOM 0 HD22 LEU A 29 12.517 -16.721 -16.724 1.00 22.10 H new ATOM 0 HD23 LEU A 29 13.952 -17.169 -17.676 1.00 22.10 H new ATOM 436 N ARG A 30 8.768 -18.349 -19.100 1.00 71.35 N ATOM 437 CA ARG A 30 7.397 -17.922 -19.351 1.00 52.31 C ATOM 438 C ARG A 30 6.469 -18.389 -18.234 1.00 33.23 C ATOM 439 O ARG A 30 5.479 -17.728 -17.917 1.00 60.21 O ATOM 440 CB ARG A 30 6.908 -18.465 -20.695 1.00 42.12 C ATOM 441 CG ARG A 30 5.950 -17.532 -21.417 1.00 13.10 C ATOM 442 CD ARG A 30 5.530 -18.098 -22.764 1.00 72.23 C ATOM 443 NE ARG A 30 4.078 -18.198 -22.888 1.00 30.45 N ATOM 444 CZ ARG A 30 3.460 -18.603 -23.992 1.00 3.02 C ATOM 445 NH1 ARG A 30 4.164 -18.944 -25.062 1.00 45.32 N ATOM 446 NH2 ARG A 30 2.135 -18.668 -24.026 1.00 44.25 N ATOM 0 H ARG A 30 9.167 -18.937 -19.831 1.00 71.35 H new ATOM 0 HA ARG A 30 7.383 -16.832 -19.381 1.00 52.31 H new ATOM 0 HB2 ARG A 30 7.769 -18.654 -21.336 1.00 42.12 H new ATOM 0 HB3 ARG A 30 6.415 -19.423 -20.532 1.00 42.12 H new ATOM 0 HG2 ARG A 30 5.067 -17.366 -20.800 1.00 13.10 H new ATOM 0 HG3 ARG A 30 6.425 -16.562 -21.561 1.00 13.10 H new ATOM 0 HD2 ARG A 30 5.919 -17.464 -23.561 1.00 72.23 H new ATOM 0 HD3 ARG A 30 5.974 -19.085 -22.897 1.00 72.23 H new ATOM 0 HE ARG A 30 3.507 -17.943 -22.082 1.00 30.45 H new ATOM 0 HH11 ARG A 30 5.183 -18.896 -25.039 1.00 45.32 H new ATOM 0 HH12 ARG A 30 3.687 -19.255 -25.908 1.00 45.32 H new ATOM 0 HH21 ARG A 30 1.590 -18.407 -23.204 1.00 44.25 H new ATOM 0 HH22 ARG A 30 1.661 -18.979 -24.874 1.00 44.25 H new ATOM 460 N HIS A 31 6.795 -19.533 -17.640 1.00 72.02 N ATOM 461 CA HIS A 31 5.990 -20.089 -16.558 1.00 24.21 C ATOM 462 C HIS A 31 6.041 -19.190 -15.326 1.00 62.41 C ATOM 463 O HIS A 31 5.035 -18.598 -14.935 1.00 62.21 O ATOM 464 CB HIS A 31 6.480 -21.493 -16.200 1.00 53.20 C ATOM 465 CG HIS A 31 5.780 -22.581 -16.954 1.00 63.44 C ATOM 466 ND1 HIS A 31 5.369 -23.759 -16.367 1.00 71.44 N ATOM 467 CD2 HIS A 31 5.418 -22.665 -18.256 1.00 44.10 C ATOM 468 CE1 HIS A 31 4.786 -24.521 -17.276 1.00 31.23 C ATOM 469 NE2 HIS A 31 4.803 -23.880 -18.430 1.00 55.13 N ATOM 0 H HIS A 31 7.610 -20.093 -17.890 1.00 72.02 H new ATOM 0 HA HIS A 31 4.957 -20.149 -16.900 1.00 24.21 H new ATOM 0 HB2 HIS A 31 7.550 -21.557 -16.396 1.00 53.20 H new ATOM 0 HB3 HIS A 31 6.342 -21.656 -15.131 1.00 53.20 H new ATOM 0 HD2 HIS A 31 5.582 -21.916 -19.016 1.00 44.10 H new ATOM 0 HE1 HIS A 31 4.367 -25.501 -17.104 1.00 31.23 H new ATOM 0 HE2 HIS A 31 4.421 -24.231 -19.308 1.00 55.13 H new ATOM 477 N VAL A 32 7.219 -19.094 -14.718 1.00 44.10 N ATOM 478 CA VAL A 32 7.401 -18.267 -13.531 1.00 25.32 C ATOM 479 C VAL A 32 6.906 -16.846 -13.770 1.00 15.43 C ATOM 480 O VAL A 32 6.345 -16.214 -12.874 1.00 61.42 O ATOM 481 CB VAL A 32 8.880 -18.218 -13.102 1.00 61.35 C ATOM 482 CG1 VAL A 32 9.031 -17.467 -11.788 1.00 70.14 C ATOM 483 CG2 VAL A 32 9.449 -19.625 -12.990 1.00 53.23 C ATOM 0 H VAL A 32 8.061 -19.579 -15.028 1.00 44.10 H new ATOM 0 HA VAL A 32 6.814 -18.724 -12.734 1.00 25.32 H new ATOM 0 HB VAL A 32 9.444 -17.682 -13.866 1.00 61.35 H new ATOM 0 HG11 VAL A 32 10.082 -17.443 -11.501 1.00 70.14 H new ATOM 0 HG12 VAL A 32 8.664 -16.448 -11.907 1.00 70.14 H new ATOM 0 HG13 VAL A 32 8.455 -17.972 -11.012 1.00 70.14 H new ATOM 0 HG21 VAL A 32 10.494 -19.572 -12.686 1.00 53.23 H new ATOM 0 HG22 VAL A 32 8.884 -20.188 -12.247 1.00 53.23 H new ATOM 0 HG23 VAL A 32 9.377 -20.125 -13.956 1.00 53.23 H new ATOM 493 N MET A 33 7.115 -16.348 -14.984 1.00 5.31 N ATOM 494 CA MET A 33 6.688 -15.000 -15.341 1.00 72.13 C ATOM 495 C MET A 33 5.166 -14.896 -15.346 1.00 30.01 C ATOM 496 O MET A 33 4.586 -14.082 -14.626 1.00 24.11 O ATOM 497 CB MET A 33 7.241 -14.614 -16.714 1.00 43.42 C ATOM 498 CG MET A 33 8.512 -13.783 -16.645 1.00 42.31 C ATOM 499 SD MET A 33 8.543 -12.458 -17.868 1.00 64.21 S ATOM 500 CE MET A 33 8.836 -13.390 -19.369 1.00 73.43 C ATOM 0 H MET A 33 7.577 -16.857 -15.737 1.00 5.31 H new ATOM 0 HA MET A 33 7.080 -14.311 -14.593 1.00 72.13 H new ATOM 0 HB2 MET A 33 7.440 -15.521 -17.285 1.00 43.42 H new ATOM 0 HB3 MET A 33 6.480 -14.055 -17.259 1.00 43.42 H new ATOM 0 HG2 MET A 33 8.607 -13.354 -15.648 1.00 42.31 H new ATOM 0 HG3 MET A 33 9.375 -14.432 -16.796 1.00 42.31 H new ATOM 0 HE1 MET A 33 9.880 -13.285 -19.665 1.00 73.43 H new ATOM 0 HE2 MET A 33 8.613 -14.442 -19.193 1.00 73.43 H new ATOM 0 HE3 MET A 33 8.194 -13.011 -20.164 1.00 73.43 H new ATOM 510 N THR A 34 4.523 -15.725 -16.162 1.00 72.22 N ATOM 511 CA THR A 34 3.069 -15.725 -16.261 1.00 72.14 C ATOM 512 C THR A 34 2.425 -16.006 -14.908 1.00 64.54 C ATOM 513 O THR A 34 1.266 -15.664 -14.679 1.00 23.23 O ATOM 514 CB THR A 34 2.575 -16.771 -17.279 1.00 41.42 C ATOM 515 OG1 THR A 34 3.182 -16.537 -18.555 1.00 23.22 O ATOM 516 CG2 THR A 34 1.061 -16.720 -17.416 1.00 11.12 C ATOM 0 H THR A 34 4.987 -16.405 -16.764 1.00 72.22 H new ATOM 0 HA THR A 34 2.776 -14.731 -16.600 1.00 72.14 H new ATOM 0 HB THR A 34 2.858 -17.759 -16.917 1.00 41.42 H new ATOM 0 HG1 THR A 34 4.089 -16.908 -18.559 1.00 23.22 H new ATOM 0 HG21 THR A 34 0.736 -17.467 -18.140 1.00 11.12 H new ATOM 0 HG22 THR A 34 0.601 -16.927 -16.450 1.00 11.12 H new ATOM 0 HG23 THR A 34 0.760 -15.729 -17.757 1.00 11.12 H new ATOM 524 N ASN A 35 3.186 -16.632 -14.015 1.00 54.33 N ATOM 525 CA ASN A 35 2.689 -16.959 -12.684 1.00 14.12 C ATOM 526 C ASN A 35 2.871 -15.782 -11.731 1.00 14.43 C ATOM 527 O ASN A 35 1.896 -15.198 -11.254 1.00 42.12 O ATOM 528 CB ASN A 35 3.412 -18.190 -12.135 1.00 60.31 C ATOM 529 CG ASN A 35 2.853 -19.485 -12.692 1.00 62.34 C ATOM 530 OD1 ASN A 35 2.250 -19.503 -13.766 1.00 23.24 O ATOM 531 ND2 ASN A 35 3.052 -20.577 -11.963 1.00 75.32 N ATOM 0 H ASN A 35 4.148 -16.922 -14.189 1.00 54.33 H new ATOM 0 HA ASN A 35 1.624 -17.177 -12.765 1.00 14.12 H new ATOM 0 HB2 ASN A 35 4.473 -18.122 -12.376 1.00 60.31 H new ATOM 0 HB3 ASN A 35 3.332 -18.201 -11.048 1.00 60.31 H new ATOM 0 HD21 ASN A 35 2.700 -21.478 -12.287 1.00 75.32 H new ATOM 0 HD22 ASN A 35 3.557 -20.515 -11.079 1.00 75.32 H new ATOM 538 N LEU A 36 4.124 -15.437 -11.457 1.00 62.34 N ATOM 539 CA LEU A 36 4.435 -14.329 -10.562 1.00 2.34 C ATOM 540 C LEU A 36 3.688 -13.066 -10.978 1.00 42.23 C ATOM 541 O LEU A 36 3.326 -12.241 -10.140 1.00 65.22 O ATOM 542 CB LEU A 36 5.942 -14.064 -10.550 1.00 53.42 C ATOM 543 CG LEU A 36 6.743 -14.790 -9.469 1.00 51.20 C ATOM 544 CD1 LEU A 36 8.208 -14.888 -9.865 1.00 51.43 C ATOM 545 CD2 LEU A 36 6.597 -14.081 -8.130 1.00 53.14 C ATOM 0 H LEU A 36 4.942 -15.909 -11.842 1.00 62.34 H new ATOM 0 HA LEU A 36 4.113 -14.605 -9.558 1.00 2.34 H new ATOM 0 HB2 LEU A 36 6.347 -14.342 -11.523 1.00 53.42 H new ATOM 0 HB3 LEU A 36 6.101 -12.992 -10.433 1.00 53.42 H new ATOM 0 HG LEU A 36 6.347 -15.800 -9.368 1.00 51.20 H new ATOM 0 HD11 LEU A 36 8.762 -15.408 -9.083 1.00 51.43 H new ATOM 0 HD12 LEU A 36 8.296 -15.440 -10.801 1.00 51.43 H new ATOM 0 HD13 LEU A 36 8.617 -13.886 -9.995 1.00 51.43 H new ATOM 0 HD21 LEU A 36 7.174 -14.612 -7.373 1.00 53.14 H new ATOM 0 HD22 LEU A 36 6.966 -13.059 -8.217 1.00 53.14 H new ATOM 0 HD23 LEU A 36 5.546 -14.064 -7.840 1.00 53.14 H new ATOM 557 N GLY A 37 3.459 -12.922 -12.280 1.00 74.42 N ATOM 558 CA GLY A 37 2.754 -11.759 -12.785 1.00 51.34 C ATOM 559 C GLY A 37 3.129 -11.430 -14.217 1.00 3.34 C ATOM 560 O GLY A 37 4.288 -11.139 -14.509 1.00 44.42 O ATOM 0 H GLY A 37 3.749 -13.590 -12.994 1.00 74.42 H new ATOM 0 HA2 GLY A 37 1.680 -11.935 -12.725 1.00 51.34 H new ATOM 0 HA3 GLY A 37 2.973 -10.901 -12.149 1.00 51.34 H new ATOM 564 N GLU A 38 2.146 -11.478 -15.111 1.00 5.34 N ATOM 565 CA GLU A 38 2.381 -11.185 -16.520 1.00 4.44 C ATOM 566 C GLU A 38 1.088 -11.295 -17.321 1.00 53.53 C ATOM 567 O GLU A 38 0.775 -12.348 -17.876 1.00 34.45 O ATOM 568 CB GLU A 38 3.432 -12.137 -17.093 1.00 63.33 C ATOM 569 CG GLU A 38 4.770 -11.472 -17.371 1.00 21.34 C ATOM 570 CD GLU A 38 5.279 -11.748 -18.772 1.00 50.42 C ATOM 571 OE1 GLU A 38 4.998 -12.843 -19.302 1.00 11.13 O ATOM 572 OE2 GLU A 38 5.959 -10.867 -19.340 1.00 14.44 O ATOM 0 H GLU A 38 1.180 -11.717 -14.885 1.00 5.34 H new ATOM 0 HA GLU A 38 2.749 -10.162 -16.596 1.00 4.44 H new ATOM 0 HB2 GLU A 38 3.583 -12.960 -16.395 1.00 63.33 H new ATOM 0 HB3 GLU A 38 3.052 -12.570 -18.018 1.00 63.33 H new ATOM 0 HG2 GLU A 38 4.673 -10.396 -17.229 1.00 21.34 H new ATOM 0 HG3 GLU A 38 5.504 -11.824 -16.646 1.00 21.34 H new ATOM 579 N LYS A 39 0.339 -10.198 -17.378 1.00 32.42 N ATOM 580 CA LYS A 39 -0.921 -10.169 -18.111 1.00 50.03 C ATOM 581 C LYS A 39 -0.711 -9.658 -19.533 1.00 61.53 C ATOM 582 O LYS A 39 -1.011 -8.504 -19.840 1.00 74.01 O ATOM 583 CB LYS A 39 -1.937 -9.284 -17.385 1.00 60.24 C ATOM 584 CG LYS A 39 -2.676 -9.998 -16.267 1.00 30.30 C ATOM 585 CD LYS A 39 -4.101 -9.490 -16.127 1.00 0.24 C ATOM 586 CE LYS A 39 -4.135 -8.067 -15.591 1.00 3.32 C ATOM 587 NZ LYS A 39 -4.119 -8.034 -14.102 1.00 64.11 N ATOM 0 H LYS A 39 0.583 -9.317 -16.925 1.00 32.42 H new ATOM 0 HA LYS A 39 -1.306 -11.187 -18.162 1.00 50.03 H new ATOM 0 HB2 LYS A 39 -1.422 -8.417 -16.972 1.00 60.24 H new ATOM 0 HB3 LYS A 39 -2.662 -8.910 -18.108 1.00 60.24 H new ATOM 0 HG2 LYS A 39 -2.689 -11.070 -16.465 1.00 30.30 H new ATOM 0 HG3 LYS A 39 -2.143 -9.853 -15.327 1.00 30.30 H new ATOM 0 HD2 LYS A 39 -4.598 -9.527 -17.096 1.00 0.24 H new ATOM 0 HD3 LYS A 39 -4.658 -10.146 -15.458 1.00 0.24 H new ATOM 0 HE2 LYS A 39 -3.278 -7.514 -15.976 1.00 3.32 H new ATOM 0 HE3 LYS A 39 -5.030 -7.563 -15.956 1.00 3.32 H new ATOM 0 HZ1 LYS A 39 -4.143 -7.047 -13.776 1.00 64.11 H new ATOM 0 HZ2 LYS A 39 -4.950 -8.540 -13.735 1.00 64.11 H new ATOM 0 HZ3 LYS A 39 -3.253 -8.492 -13.754 1.00 64.11 H new ATOM 601 N LEU A 40 -0.195 -10.525 -20.398 1.00 22.13 N ATOM 602 CA LEU A 40 0.054 -10.162 -21.789 1.00 31.33 C ATOM 603 C LEU A 40 -0.220 -11.342 -22.716 1.00 41.44 C ATOM 604 O LEU A 40 -0.527 -12.445 -22.263 1.00 53.40 O ATOM 605 CB LEU A 40 1.498 -9.687 -21.962 1.00 15.21 C ATOM 606 CG LEU A 40 1.862 -8.377 -21.261 1.00 75.35 C ATOM 607 CD1 LEU A 40 3.370 -8.256 -21.107 1.00 15.12 C ATOM 608 CD2 LEU A 40 1.305 -7.188 -22.031 1.00 61.21 C ATOM 0 H LEU A 40 0.059 -11.484 -20.161 1.00 22.13 H new ATOM 0 HA LEU A 40 -0.623 -9.350 -22.054 1.00 31.33 H new ATOM 0 HB2 LEU A 40 2.163 -10.469 -21.595 1.00 15.21 H new ATOM 0 HB3 LEU A 40 1.697 -9.573 -23.028 1.00 15.21 H new ATOM 0 HG LEU A 40 1.415 -8.382 -20.267 1.00 75.35 H new ATOM 0 HD11 LEU A 40 3.611 -7.318 -20.606 1.00 15.12 H new ATOM 0 HD12 LEU A 40 3.743 -9.090 -20.513 1.00 15.12 H new ATOM 0 HD13 LEU A 40 3.839 -8.273 -22.091 1.00 15.12 H new ATOM 0 HD21 LEU A 40 1.573 -6.264 -21.518 1.00 61.21 H new ATOM 0 HD22 LEU A 40 1.723 -7.179 -23.038 1.00 61.21 H new ATOM 0 HD23 LEU A 40 0.220 -7.268 -22.089 1.00 61.21 H new ATOM 620 N THR A 41 -0.104 -11.103 -24.019 1.00 53.41 N ATOM 621 CA THR A 41 -0.338 -12.144 -25.011 1.00 71.41 C ATOM 622 C THR A 41 0.937 -12.932 -25.293 1.00 14.53 C ATOM 623 O THR A 41 2.043 -12.445 -25.057 1.00 33.22 O ATOM 624 CB THR A 41 -0.866 -11.554 -26.332 1.00 42.03 C ATOM 625 OG1 THR A 41 0.145 -10.746 -26.946 1.00 72.31 O ATOM 626 CG2 THR A 41 -2.113 -10.718 -26.091 1.00 54.41 C ATOM 0 H THR A 41 0.151 -10.197 -24.411 1.00 53.41 H new ATOM 0 HA THR A 41 -1.091 -12.813 -24.594 1.00 71.41 H new ATOM 0 HB THR A 41 -1.124 -12.379 -26.996 1.00 42.03 H new ATOM 0 HG1 THR A 41 -0.198 -10.376 -27.786 1.00 72.31 H new ATOM 0 HG21 THR A 41 -2.467 -10.312 -27.038 1.00 54.41 H new ATOM 0 HG22 THR A 41 -2.890 -11.343 -25.650 1.00 54.41 H new ATOM 0 HG23 THR A 41 -1.877 -9.899 -25.411 1.00 54.41 H new ATOM 634 N ASP A 42 0.775 -14.149 -25.799 1.00 33.12 N ATOM 635 CA ASP A 42 1.914 -15.003 -26.115 1.00 34.45 C ATOM 636 C ASP A 42 2.907 -14.274 -27.013 1.00 63.14 C ATOM 637 O ASP A 42 4.107 -14.546 -26.976 1.00 51.32 O ATOM 638 CB ASP A 42 1.441 -16.289 -26.794 1.00 73.42 C ATOM 639 CG ASP A 42 0.542 -16.018 -27.984 1.00 73.44 C ATOM 640 OD1 ASP A 42 -0.679 -15.847 -27.780 1.00 24.22 O ATOM 641 OD2 ASP A 42 1.058 -15.977 -29.120 1.00 43.53 O ATOM 0 H ASP A 42 -0.134 -14.567 -25.999 1.00 33.12 H new ATOM 0 HA ASP A 42 2.416 -15.258 -25.182 1.00 34.45 H new ATOM 0 HB2 ASP A 42 2.308 -16.864 -27.120 1.00 73.42 H new ATOM 0 HB3 ASP A 42 0.905 -16.903 -26.070 1.00 73.42 H new ATOM 646 N GLU A 43 2.399 -13.348 -27.820 1.00 74.35 N ATOM 647 CA GLU A 43 3.242 -12.582 -28.730 1.00 42.11 C ATOM 648 C GLU A 43 4.033 -11.519 -27.973 1.00 53.51 C ATOM 649 O GLU A 43 5.240 -11.377 -28.162 1.00 43.14 O ATOM 650 CB GLU A 43 2.391 -11.923 -29.817 1.00 51.42 C ATOM 651 CG GLU A 43 3.206 -11.168 -30.854 1.00 54.12 C ATOM 652 CD GLU A 43 2.425 -10.040 -31.501 1.00 4.10 C ATOM 653 OE1 GLU A 43 1.179 -10.116 -31.519 1.00 51.21 O ATOM 654 OE2 GLU A 43 3.061 -9.082 -31.989 1.00 34.00 O ATOM 0 H GLU A 43 1.408 -13.110 -27.862 1.00 74.35 H new ATOM 0 HA GLU A 43 3.946 -13.270 -29.198 1.00 42.11 H new ATOM 0 HB2 GLU A 43 1.801 -12.690 -30.319 1.00 51.42 H new ATOM 0 HB3 GLU A 43 1.688 -11.235 -29.349 1.00 51.42 H new ATOM 0 HG2 GLU A 43 4.101 -10.762 -30.382 1.00 54.12 H new ATOM 0 HG3 GLU A 43 3.540 -11.863 -31.625 1.00 54.12 H new ATOM 661 N GLU A 44 3.341 -10.774 -27.116 1.00 44.30 N ATOM 662 CA GLU A 44 3.979 -9.722 -26.332 1.00 34.42 C ATOM 663 C GLU A 44 5.023 -10.307 -25.386 1.00 4.14 C ATOM 664 O GLU A 44 6.102 -9.740 -25.207 1.00 34.13 O ATOM 665 CB GLU A 44 2.930 -8.944 -25.534 1.00 23.33 C ATOM 666 CG GLU A 44 3.087 -7.436 -25.631 1.00 24.11 C ATOM 667 CD GLU A 44 2.201 -6.825 -26.699 1.00 44.10 C ATOM 668 OE1 GLU A 44 1.769 -7.567 -27.606 1.00 50.30 O ATOM 669 OE2 GLU A 44 1.941 -5.606 -26.628 1.00 51.25 O ATOM 0 H GLU A 44 2.341 -10.879 -26.947 1.00 44.30 H new ATOM 0 HA GLU A 44 4.479 -9.042 -27.021 1.00 34.42 H new ATOM 0 HB2 GLU A 44 1.937 -9.221 -25.888 1.00 23.33 H new ATOM 0 HB3 GLU A 44 2.989 -9.240 -24.487 1.00 23.33 H new ATOM 0 HG2 GLU A 44 2.850 -6.987 -24.667 1.00 24.11 H new ATOM 0 HG3 GLU A 44 4.128 -7.196 -25.847 1.00 24.11 H new ATOM 676 N VAL A 45 4.695 -11.445 -24.781 1.00 45.52 N ATOM 677 CA VAL A 45 5.605 -12.107 -23.854 1.00 35.14 C ATOM 678 C VAL A 45 6.859 -12.596 -24.569 1.00 30.44 C ATOM 679 O VAL A 45 7.950 -12.598 -23.999 1.00 1.15 O ATOM 680 CB VAL A 45 4.925 -13.301 -23.158 1.00 75.31 C ATOM 681 CG1 VAL A 45 5.874 -13.951 -22.163 1.00 13.14 C ATOM 682 CG2 VAL A 45 3.641 -12.858 -22.472 1.00 42.22 C ATOM 0 H VAL A 45 3.806 -11.927 -24.916 1.00 45.52 H new ATOM 0 HA VAL A 45 5.884 -11.368 -23.103 1.00 35.14 H new ATOM 0 HB VAL A 45 4.668 -14.042 -23.915 1.00 75.31 H new ATOM 0 HG11 VAL A 45 5.376 -14.792 -21.681 1.00 13.14 H new ATOM 0 HG12 VAL A 45 6.762 -14.306 -22.686 1.00 13.14 H new ATOM 0 HG13 VAL A 45 6.165 -13.221 -21.408 1.00 13.14 H new ATOM 0 HG21 VAL A 45 3.174 -13.715 -21.986 1.00 42.22 H new ATOM 0 HG22 VAL A 45 3.871 -12.098 -21.726 1.00 42.22 H new ATOM 0 HG23 VAL A 45 2.957 -12.444 -23.213 1.00 42.22 H new ATOM 692 N ASP A 46 6.696 -13.011 -25.820 1.00 41.42 N ATOM 693 CA ASP A 46 7.816 -13.501 -26.615 1.00 60.20 C ATOM 694 C ASP A 46 8.968 -12.501 -26.606 1.00 60.21 C ATOM 695 O ASP A 46 10.130 -12.880 -26.460 1.00 35.14 O ATOM 696 CB ASP A 46 7.369 -13.771 -28.053 1.00 4.22 C ATOM 697 CG ASP A 46 7.732 -15.167 -28.520 1.00 5.42 C ATOM 698 OD1 ASP A 46 7.514 -16.126 -27.750 1.00 40.21 O ATOM 699 OD2 ASP A 46 8.234 -15.300 -29.655 1.00 63.03 O ATOM 0 H ASP A 46 5.799 -13.018 -26.306 1.00 41.42 H new ATOM 0 HA ASP A 46 8.165 -14.433 -26.170 1.00 60.20 H new ATOM 0 HB2 ASP A 46 6.290 -13.636 -28.126 1.00 4.22 H new ATOM 0 HB3 ASP A 46 7.828 -13.038 -28.717 1.00 4.22 H new ATOM 704 N GLU A 47 8.637 -11.224 -26.765 1.00 42.51 N ATOM 705 CA GLU A 47 9.645 -10.170 -26.777 1.00 43.01 C ATOM 706 C GLU A 47 10.166 -9.899 -25.369 1.00 11.14 C ATOM 707 O GLU A 47 11.301 -9.460 -25.189 1.00 43.42 O ATOM 708 CB GLU A 47 9.066 -8.886 -27.374 1.00 52.14 C ATOM 709 CG GLU A 47 9.676 -8.508 -28.714 1.00 30.23 C ATOM 710 CD GLU A 47 9.125 -7.205 -29.259 1.00 73.22 C ATOM 711 OE1 GLU A 47 9.242 -6.175 -28.564 1.00 4.54 O ATOM 712 OE2 GLU A 47 8.576 -7.216 -30.381 1.00 13.24 O ATOM 0 H GLU A 47 7.680 -10.894 -26.887 1.00 42.51 H new ATOM 0 HA GLU A 47 10.477 -10.506 -27.395 1.00 43.01 H new ATOM 0 HB2 GLU A 47 7.989 -9.005 -27.495 1.00 52.14 H new ATOM 0 HB3 GLU A 47 9.219 -8.067 -26.671 1.00 52.14 H new ATOM 0 HG2 GLU A 47 10.757 -8.424 -28.606 1.00 30.23 H new ATOM 0 HG3 GLU A 47 9.489 -9.306 -29.432 1.00 30.23 H new ATOM 719 N MET A 48 9.327 -10.164 -24.373 1.00 13.13 N ATOM 720 CA MET A 48 9.702 -9.949 -22.980 1.00 30.40 C ATOM 721 C MET A 48 10.897 -10.818 -22.599 1.00 12.31 C ATOM 722 O MET A 48 11.843 -10.345 -21.969 1.00 24.00 O ATOM 723 CB MET A 48 8.520 -10.255 -22.058 1.00 51.10 C ATOM 724 CG MET A 48 7.921 -9.018 -21.408 1.00 31.41 C ATOM 725 SD MET A 48 8.485 -8.783 -19.712 1.00 21.04 S ATOM 726 CE MET A 48 10.259 -8.915 -19.923 1.00 73.44 C ATOM 0 H MET A 48 8.383 -10.528 -24.504 1.00 13.13 H new ATOM 0 HA MET A 48 9.983 -8.902 -22.863 1.00 30.40 H new ATOM 0 HB2 MET A 48 7.746 -10.766 -22.631 1.00 51.10 H new ATOM 0 HB3 MET A 48 8.846 -10.943 -21.278 1.00 51.10 H new ATOM 0 HG2 MET A 48 8.182 -8.140 -21.998 1.00 31.41 H new ATOM 0 HG3 MET A 48 6.834 -9.097 -21.418 1.00 31.41 H new ATOM 0 HE1 MET A 48 10.762 -8.453 -19.073 1.00 73.44 H new ATOM 0 HE2 MET A 48 10.541 -9.966 -19.984 1.00 73.44 H new ATOM 0 HE3 MET A 48 10.555 -8.406 -20.840 1.00 73.44 H new ATOM 736 N ILE A 49 10.846 -12.088 -22.984 1.00 71.33 N ATOM 737 CA ILE A 49 11.925 -13.021 -22.683 1.00 74.23 C ATOM 738 C ILE A 49 13.176 -12.694 -23.491 1.00 72.02 C ATOM 739 O ILE A 49 14.291 -13.025 -23.089 1.00 22.13 O ATOM 740 CB ILE A 49 11.508 -14.476 -22.970 1.00 54.33 C ATOM 741 CG1 ILE A 49 10.195 -14.803 -22.255 1.00 61.45 C ATOM 742 CG2 ILE A 49 12.606 -15.436 -22.540 1.00 32.45 C ATOM 743 CD1 ILE A 49 9.649 -16.173 -22.593 1.00 72.00 C ATOM 0 H ILE A 49 10.069 -12.495 -23.505 1.00 71.33 H new ATOM 0 HA ILE A 49 12.144 -12.917 -21.620 1.00 74.23 H new ATOM 0 HB ILE A 49 11.353 -14.590 -24.043 1.00 54.33 H new ATOM 0 HG12 ILE A 49 10.351 -14.738 -21.178 1.00 61.45 H new ATOM 0 HG13 ILE A 49 9.451 -14.050 -22.515 1.00 61.45 H new ATOM 0 HG21 ILE A 49 12.296 -16.460 -22.749 1.00 32.45 H new ATOM 0 HG22 ILE A 49 13.520 -15.214 -23.091 1.00 32.45 H new ATOM 0 HG23 ILE A 49 12.790 -15.324 -21.471 1.00 32.45 H new ATOM 0 HD11 ILE A 49 8.718 -16.337 -22.051 1.00 72.00 H new ATOM 0 HD12 ILE A 49 9.461 -16.235 -23.665 1.00 72.00 H new ATOM 0 HD13 ILE A 49 10.374 -16.935 -22.307 1.00 72.00 H new ATOM 755 N ARG A 50 12.983 -12.041 -24.632 1.00 54.52 N ATOM 756 CA ARG A 50 14.096 -11.668 -25.497 1.00 14.40 C ATOM 757 C ARG A 50 15.061 -10.736 -24.770 1.00 13.14 C ATOM 758 O ARG A 50 16.278 -10.876 -24.884 1.00 73.00 O ATOM 759 CB ARG A 50 13.578 -10.992 -26.768 1.00 14.42 C ATOM 760 CG ARG A 50 14.174 -11.558 -28.046 1.00 23.34 C ATOM 761 CD ARG A 50 13.108 -11.783 -29.107 1.00 3.44 C ATOM 762 NE ARG A 50 13.580 -11.424 -30.441 1.00 44.13 N ATOM 763 CZ ARG A 50 12.776 -11.252 -31.484 1.00 15.11 C ATOM 764 NH1 ARG A 50 11.466 -11.405 -31.347 1.00 14.43 N ATOM 765 NH2 ARG A 50 13.281 -10.926 -32.667 1.00 14.01 N ATOM 0 H ARG A 50 12.066 -11.759 -24.979 1.00 54.52 H new ATOM 0 HA ARG A 50 14.632 -12.577 -25.770 1.00 14.40 H new ATOM 0 HB2 ARG A 50 12.493 -11.094 -26.807 1.00 14.42 H new ATOM 0 HB3 ARG A 50 13.797 -9.925 -26.717 1.00 14.42 H new ATOM 0 HG2 ARG A 50 14.931 -10.874 -28.429 1.00 23.34 H new ATOM 0 HG3 ARG A 50 14.676 -12.500 -27.828 1.00 23.34 H new ATOM 0 HD2 ARG A 50 12.804 -12.830 -29.099 1.00 3.44 H new ATOM 0 HD3 ARG A 50 12.224 -11.193 -28.864 1.00 3.44 H new ATOM 0 HE ARG A 50 14.583 -11.298 -30.580 1.00 44.13 H new ATOM 0 HH11 ARG A 50 11.074 -11.655 -30.439 1.00 14.43 H new ATOM 0 HH12 ARG A 50 10.850 -11.272 -32.149 1.00 14.43 H new ATOM 0 HH21 ARG A 50 14.288 -10.807 -32.776 1.00 14.01 H new ATOM 0 HH22 ARG A 50 12.662 -10.794 -33.467 1.00 14.01 H new ATOM 779 N GLU A 51 14.508 -9.785 -24.023 1.00 33.44 N ATOM 780 CA GLU A 51 15.320 -8.830 -23.278 1.00 62.32 C ATOM 781 C GLU A 51 16.083 -9.525 -22.154 1.00 43.00 C ATOM 782 O GLU A 51 17.303 -9.403 -22.050 1.00 64.11 O ATOM 783 CB GLU A 51 14.441 -7.719 -22.702 1.00 14.04 C ATOM 784 CG GLU A 51 14.671 -6.363 -23.348 1.00 71.31 C ATOM 785 CD GLU A 51 14.277 -5.211 -22.444 1.00 71.41 C ATOM 786 OE1 GLU A 51 13.061 -4.976 -22.280 1.00 24.13 O ATOM 787 OE2 GLU A 51 15.183 -4.545 -21.902 1.00 22.54 O ATOM 0 H GLU A 51 13.502 -9.656 -23.918 1.00 33.44 H new ATOM 0 HA GLU A 51 16.042 -8.391 -23.967 1.00 62.32 H new ATOM 0 HB2 GLU A 51 13.394 -7.996 -22.823 1.00 14.04 H new ATOM 0 HB3 GLU A 51 14.628 -7.638 -21.631 1.00 14.04 H new ATOM 0 HG2 GLU A 51 15.723 -6.266 -23.616 1.00 71.31 H new ATOM 0 HG3 GLU A 51 14.100 -6.305 -24.274 1.00 71.31 H new ATOM 794 N ALA A 52 15.355 -10.253 -21.314 1.00 73.23 N ATOM 795 CA ALA A 52 15.962 -10.968 -20.199 1.00 32.52 C ATOM 796 C ALA A 52 17.093 -11.873 -20.677 1.00 11.42 C ATOM 797 O ALA A 52 18.112 -12.018 -20.001 1.00 73.21 O ATOM 798 CB ALA A 52 14.910 -11.782 -19.458 1.00 44.24 C ATOM 0 H ALA A 52 14.343 -10.363 -21.385 1.00 73.23 H new ATOM 0 HA ALA A 52 16.385 -10.232 -19.515 1.00 32.52 H new ATOM 0 HB1 ALA A 52 15.378 -12.311 -18.628 1.00 44.24 H new ATOM 0 HB2 ALA A 52 14.138 -11.115 -19.075 1.00 44.24 H new ATOM 0 HB3 ALA A 52 14.461 -12.503 -20.141 1.00 44.24 H new ATOM 804 N ASP A 53 16.907 -12.478 -21.844 1.00 73.04 N ATOM 805 CA ASP A 53 17.912 -13.368 -22.413 1.00 61.21 C ATOM 806 C ASP A 53 18.967 -12.577 -23.180 1.00 2.01 C ATOM 807 O ASP A 53 18.675 -11.971 -24.211 1.00 73.44 O ATOM 808 CB ASP A 53 17.253 -14.392 -23.338 1.00 73.40 C ATOM 809 CG ASP A 53 18.251 -15.074 -24.253 1.00 24.14 C ATOM 810 OD1 ASP A 53 19.271 -15.583 -23.742 1.00 71.44 O ATOM 811 OD2 ASP A 53 18.014 -15.097 -25.479 1.00 30.54 O ATOM 0 H ASP A 53 16.069 -12.369 -22.415 1.00 73.04 H new ATOM 0 HA ASP A 53 18.402 -13.893 -21.593 1.00 61.21 H new ATOM 0 HB2 ASP A 53 16.743 -15.145 -22.737 1.00 73.40 H new ATOM 0 HB3 ASP A 53 16.492 -13.896 -23.941 1.00 73.40 H new ATOM 866 N GLY A 58 19.736 -18.631 -26.089 1.00 45.44 N ATOM 867 CA GLY A 58 18.340 -18.503 -25.718 1.00 15.33 C ATOM 868 C GLY A 58 18.074 -18.957 -24.296 1.00 71.12 C ATOM 869 O GLY A 58 17.102 -19.665 -24.036 1.00 74.33 O ATOM 0 HA2 GLY A 58 18.032 -17.463 -25.828 1.00 15.33 H new ATOM 0 HA3 GLY A 58 17.730 -19.090 -26.404 1.00 15.33 H new ATOM 873 N GLN A 59 18.941 -18.550 -23.375 1.00 21.33 N ATOM 874 CA GLN A 59 18.796 -18.923 -21.972 1.00 51.35 C ATOM 875 C GLN A 59 18.793 -17.687 -21.079 1.00 22.05 C ATOM 876 O GLN A 59 19.507 -16.718 -21.339 1.00 34.10 O ATOM 877 CB GLN A 59 19.924 -19.867 -21.554 1.00 43.12 C ATOM 878 CG GLN A 59 19.607 -21.335 -21.788 1.00 30.22 C ATOM 879 CD GLN A 59 20.852 -22.198 -21.851 1.00 34.42 C ATOM 880 OE1 GLN A 59 21.945 -21.712 -22.142 1.00 55.32 O ATOM 881 NE2 GLN A 59 20.692 -23.488 -21.577 1.00 5.11 N ATOM 0 H GLN A 59 19.751 -17.962 -23.574 1.00 21.33 H new ATOM 0 HA GLN A 59 17.841 -19.436 -21.855 1.00 51.35 H new ATOM 0 HB2 GLN A 59 20.827 -19.607 -22.105 1.00 43.12 H new ATOM 0 HB3 GLN A 59 20.141 -19.715 -20.497 1.00 43.12 H new ATOM 0 HG2 GLN A 59 18.960 -21.695 -20.988 1.00 30.22 H new ATOM 0 HG3 GLN A 59 19.050 -21.439 -22.719 1.00 30.22 H new ATOM 0 HE21 GLN A 59 19.768 -23.848 -21.340 1.00 5.11 H new ATOM 0 HE22 GLN A 59 21.494 -24.118 -21.603 1.00 5.11 H new ATOM 890 N VAL A 60 17.986 -17.728 -20.023 1.00 53.34 N ATOM 891 CA VAL A 60 17.891 -16.612 -19.090 1.00 54.40 C ATOM 892 C VAL A 60 18.815 -16.814 -17.895 1.00 30.52 C ATOM 893 O VAL A 60 18.862 -17.896 -17.310 1.00 42.04 O ATOM 894 CB VAL A 60 16.448 -16.425 -18.584 1.00 0.14 C ATOM 895 CG1 VAL A 60 16.345 -15.183 -17.712 1.00 14.14 C ATOM 896 CG2 VAL A 60 15.479 -16.347 -19.754 1.00 30.14 C ATOM 0 H VAL A 60 17.389 -18.522 -19.793 1.00 53.34 H new ATOM 0 HA VAL A 60 18.196 -15.718 -19.634 1.00 54.40 H new ATOM 0 HB VAL A 60 16.179 -17.289 -17.977 1.00 0.14 H new ATOM 0 HG11 VAL A 60 15.319 -15.067 -17.364 1.00 14.14 H new ATOM 0 HG12 VAL A 60 17.010 -15.284 -16.854 1.00 14.14 H new ATOM 0 HG13 VAL A 60 16.632 -14.306 -18.292 1.00 14.14 H new ATOM 0 HG21 VAL A 60 14.464 -16.215 -19.378 1.00 30.14 H new ATOM 0 HG22 VAL A 60 15.743 -15.502 -20.390 1.00 30.14 H new ATOM 0 HG23 VAL A 60 15.534 -17.268 -20.334 1.00 30.14 H new ATOM 906 N ASN A 61 19.549 -15.766 -17.536 1.00 54.34 N ATOM 907 CA ASN A 61 20.473 -15.829 -16.410 1.00 13.52 C ATOM 908 C ASN A 61 19.783 -15.405 -15.116 1.00 61.34 C ATOM 909 O ASN A 61 18.979 -14.473 -15.106 1.00 2.25 O ATOM 910 CB ASN A 61 21.687 -14.935 -16.669 1.00 63.13 C ATOM 911 CG ASN A 61 21.294 -13.532 -17.090 1.00 71.31 C ATOM 912 OD1 ASN A 61 21.303 -12.604 -16.281 1.00 72.23 O ATOM 913 ND2 ASN A 61 20.946 -13.372 -18.361 1.00 54.15 N ATOM 0 H ASN A 61 19.522 -14.863 -18.009 1.00 54.34 H new ATOM 0 HA ASN A 61 20.806 -16.861 -16.303 1.00 13.52 H new ATOM 0 HB2 ASN A 61 22.296 -14.883 -15.766 1.00 63.13 H new ATOM 0 HB3 ASN A 61 22.306 -15.384 -17.445 1.00 63.13 H new ATOM 0 HD21 ASN A 61 20.671 -12.451 -18.702 1.00 54.15 H new ATOM 0 HD22 ASN A 61 20.953 -14.170 -18.996 1.00 54.15 H new ATOM 920 N TYR A 62 20.103 -16.097 -14.028 1.00 44.43 N ATOM 921 CA TYR A 62 19.514 -15.794 -12.729 1.00 72.15 C ATOM 922 C TYR A 62 19.803 -14.352 -12.322 1.00 70.54 C ATOM 923 O TYR A 62 19.087 -13.771 -11.508 1.00 22.34 O ATOM 924 CB TYR A 62 20.051 -16.754 -11.666 1.00 51.42 C ATOM 925 CG TYR A 62 19.706 -16.344 -10.252 1.00 24.51 C ATOM 926 CD1 TYR A 62 18.400 -16.415 -9.786 1.00 35.41 C ATOM 927 CD2 TYR A 62 20.688 -15.888 -9.381 1.00 45.14 C ATOM 928 CE1 TYR A 62 18.080 -16.042 -8.495 1.00 3.12 C ATOM 929 CE2 TYR A 62 20.379 -15.514 -8.088 1.00 54.41 C ATOM 930 CZ TYR A 62 19.073 -15.592 -7.650 1.00 2.03 C ATOM 931 OH TYR A 62 18.760 -15.220 -6.362 1.00 75.35 O ATOM 0 H TYR A 62 20.767 -16.871 -14.020 1.00 44.43 H new ATOM 0 HA TYR A 62 18.434 -15.919 -12.810 1.00 72.15 H new ATOM 0 HB2 TYR A 62 19.653 -17.751 -11.854 1.00 51.42 H new ATOM 0 HB3 TYR A 62 21.135 -16.820 -11.762 1.00 51.42 H new ATOM 0 HD1 TYR A 62 17.620 -16.768 -10.445 1.00 35.41 H new ATOM 0 HD2 TYR A 62 21.711 -15.825 -9.721 1.00 45.14 H new ATOM 0 HE1 TYR A 62 17.059 -16.102 -8.149 1.00 3.12 H new ATOM 0 HE2 TYR A 62 21.155 -15.163 -7.424 1.00 54.41 H new ATOM 0 HH TYR A 62 19.573 -14.928 -5.899 1.00 75.35 H new ATOM 941 N GLU A 63 20.857 -13.782 -12.897 1.00 65.31 N ATOM 942 CA GLU A 63 21.242 -12.409 -12.594 1.00 50.32 C ATOM 943 C GLU A 63 20.335 -11.418 -13.318 1.00 50.30 C ATOM 944 O GLU A 63 20.337 -10.224 -13.017 1.00 50.11 O ATOM 945 CB GLU A 63 22.700 -12.165 -12.989 1.00 50.11 C ATOM 946 CG GLU A 63 23.698 -12.597 -11.928 1.00 43.13 C ATOM 947 CD GLU A 63 24.702 -13.607 -12.449 1.00 4.11 C ATOM 948 OE1 GLU A 63 24.381 -14.814 -12.454 1.00 11.24 O ATOM 949 OE2 GLU A 63 25.809 -13.191 -12.851 1.00 71.12 O ATOM 0 H GLU A 63 21.459 -14.249 -13.575 1.00 65.31 H new ATOM 0 HA GLU A 63 21.134 -12.257 -11.520 1.00 50.32 H new ATOM 0 HB2 GLU A 63 22.912 -12.701 -13.914 1.00 50.11 H new ATOM 0 HB3 GLU A 63 22.839 -11.104 -13.196 1.00 50.11 H new ATOM 0 HG2 GLU A 63 24.229 -11.721 -11.556 1.00 43.13 H new ATOM 0 HG3 GLU A 63 23.161 -13.027 -11.083 1.00 43.13 H new ATOM 956 N ASP A 64 19.562 -11.922 -14.274 1.00 12.55 N ATOM 957 CA ASP A 64 18.649 -11.082 -15.041 1.00 1.23 C ATOM 958 C ASP A 64 17.284 -11.003 -14.364 1.00 23.13 C ATOM 959 O ASP A 64 16.818 -9.921 -14.008 1.00 12.32 O ATOM 960 CB ASP A 64 18.496 -11.624 -16.463 1.00 24.24 C ATOM 961 CG ASP A 64 19.056 -10.678 -17.506 1.00 52.25 C ATOM 962 OD1 ASP A 64 20.275 -10.738 -17.770 1.00 4.14 O ATOM 963 OD2 ASP A 64 18.274 -9.878 -18.061 1.00 0.41 O ATOM 0 H ASP A 64 19.549 -12.908 -14.536 1.00 12.55 H new ATOM 0 HA ASP A 64 19.071 -10.078 -15.087 1.00 1.23 H new ATOM 0 HB2 ASP A 64 19.004 -12.586 -16.539 1.00 24.24 H new ATOM 0 HB3 ASP A 64 17.441 -11.804 -16.669 1.00 24.24 H new ATOM 968 N PHE A 65 16.648 -12.157 -14.190 1.00 42.20 N ATOM 969 CA PHE A 65 15.336 -12.219 -13.558 1.00 14.53 C ATOM 970 C PHE A 65 15.341 -11.483 -12.221 1.00 31.44 C ATOM 971 O PHE A 65 14.348 -10.867 -11.834 1.00 33.31 O ATOM 972 CB PHE A 65 14.914 -13.675 -13.350 1.00 51.43 C ATOM 973 CG PHE A 65 13.452 -13.916 -13.597 1.00 21.33 C ATOM 974 CD1 PHE A 65 12.972 -14.084 -14.885 1.00 74.23 C ATOM 975 CD2 PHE A 65 12.558 -13.975 -12.539 1.00 43.15 C ATOM 976 CE1 PHE A 65 11.627 -14.307 -15.116 1.00 30.05 C ATOM 977 CE2 PHE A 65 11.213 -14.198 -12.763 1.00 51.15 C ATOM 978 CZ PHE A 65 10.746 -14.363 -14.053 1.00 44.11 C ATOM 0 H PHE A 65 17.020 -13.062 -14.478 1.00 42.20 H new ATOM 0 HA PHE A 65 14.619 -11.731 -14.219 1.00 14.53 H new ATOM 0 HB2 PHE A 65 15.497 -14.312 -14.015 1.00 51.43 H new ATOM 0 HB3 PHE A 65 15.156 -13.973 -12.330 1.00 51.43 H new ATOM 0 HD1 PHE A 65 13.656 -14.040 -15.719 1.00 74.23 H new ATOM 0 HD2 PHE A 65 12.917 -13.845 -11.529 1.00 43.15 H new ATOM 0 HE1 PHE A 65 11.266 -14.437 -16.125 1.00 30.05 H new ATOM 0 HE2 PHE A 65 10.527 -14.243 -11.930 1.00 51.15 H new ATOM 0 HZ PHE A 65 9.695 -14.535 -14.230 1.00 44.11 H new ATOM 988 N VAL A 66 16.467 -11.554 -11.518 1.00 2.40 N ATOM 989 CA VAL A 66 16.604 -10.895 -10.224 1.00 75.03 C ATOM 990 C VAL A 66 16.794 -9.392 -10.390 1.00 50.44 C ATOM 991 O VAL A 66 16.377 -8.606 -9.540 1.00 34.11 O ATOM 992 CB VAL A 66 17.790 -11.467 -9.426 1.00 1.42 C ATOM 993 CG1 VAL A 66 17.967 -10.711 -8.118 1.00 3.23 C ATOM 994 CG2 VAL A 66 17.593 -12.953 -9.170 1.00 33.13 C ATOM 0 H VAL A 66 17.298 -12.061 -11.823 1.00 2.40 H new ATOM 0 HA VAL A 66 15.682 -11.083 -9.674 1.00 75.03 H new ATOM 0 HB VAL A 66 18.697 -11.341 -10.017 1.00 1.42 H new ATOM 0 HG11 VAL A 66 18.810 -11.129 -7.567 1.00 3.23 H new ATOM 0 HG12 VAL A 66 18.157 -9.659 -8.329 1.00 3.23 H new ATOM 0 HG13 VAL A 66 17.061 -10.803 -7.519 1.00 3.23 H new ATOM 0 HG21 VAL A 66 18.441 -13.340 -8.605 1.00 33.13 H new ATOM 0 HG22 VAL A 66 16.677 -13.106 -8.600 1.00 33.13 H new ATOM 0 HG23 VAL A 66 17.520 -13.480 -10.122 1.00 33.13 H new ATOM 1004 N GLN A 67 17.426 -8.999 -11.491 1.00 44.24 N ATOM 1005 CA GLN A 67 17.672 -7.589 -11.769 1.00 3.44 C ATOM 1006 C GLN A 67 16.361 -6.817 -11.867 1.00 53.54 C ATOM 1007 O GLN A 67 16.159 -5.825 -11.166 1.00 74.54 O ATOM 1008 CB GLN A 67 18.468 -7.433 -13.066 1.00 21.33 C ATOM 1009 CG GLN A 67 19.247 -6.131 -13.149 1.00 41.53 C ATOM 1010 CD GLN A 67 20.413 -6.208 -14.115 1.00 73.44 C ATOM 1011 OE1 GLN A 67 21.569 -6.311 -13.704 1.00 72.24 O ATOM 1012 NE2 GLN A 67 20.114 -6.160 -15.408 1.00 64.15 N ATOM 0 H GLN A 67 17.777 -9.637 -12.205 1.00 44.24 H new ATOM 0 HA GLN A 67 18.254 -7.179 -10.944 1.00 3.44 H new ATOM 0 HB2 GLN A 67 19.162 -8.268 -13.159 1.00 21.33 H new ATOM 0 HB3 GLN A 67 17.783 -7.491 -13.912 1.00 21.33 H new ATOM 0 HG2 GLN A 67 18.576 -5.330 -13.459 1.00 41.53 H new ATOM 0 HG3 GLN A 67 19.618 -5.870 -12.158 1.00 41.53 H new ATOM 0 HE21 GLN A 67 19.142 -6.074 -15.704 1.00 64.15 H new ATOM 0 HE22 GLN A 67 20.857 -6.209 -16.105 1.00 64.15 H new ATOM 1021 N MET A 68 15.473 -7.277 -12.742 1.00 71.44 N ATOM 1022 CA MET A 68 14.180 -6.630 -12.932 1.00 1.22 C ATOM 1023 C MET A 68 13.365 -6.656 -11.643 1.00 11.12 C ATOM 1024 O MET A 68 12.642 -5.708 -11.335 1.00 64.44 O ATOM 1025 CB MET A 68 13.401 -7.317 -14.055 1.00 44.34 C ATOM 1026 CG MET A 68 13.150 -6.420 -15.257 1.00 22.11 C ATOM 1027 SD MET A 68 12.006 -5.075 -14.893 1.00 32.22 S ATOM 1028 CE MET A 68 10.540 -5.634 -15.758 1.00 23.22 C ATOM 0 H MET A 68 15.625 -8.096 -13.331 1.00 71.44 H new ATOM 0 HA MET A 68 14.359 -5.591 -13.208 1.00 1.22 H new ATOM 0 HB2 MET A 68 13.951 -8.201 -14.380 1.00 44.34 H new ATOM 0 HB3 MET A 68 12.444 -7.663 -13.664 1.00 44.34 H new ATOM 0 HG2 MET A 68 14.098 -6.003 -15.599 1.00 22.11 H new ATOM 0 HG3 MET A 68 12.752 -7.019 -16.076 1.00 22.11 H new ATOM 0 HE1 MET A 68 9.740 -4.905 -15.627 1.00 23.22 H new ATOM 0 HE2 MET A 68 10.763 -5.741 -16.820 1.00 23.22 H new ATOM 0 HE3 MET A 68 10.224 -6.596 -15.354 1.00 23.22 H new ATOM 1038 N MET A 69 13.486 -7.747 -10.893 1.00 40.33 N ATOM 1039 CA MET A 69 12.761 -7.895 -9.637 1.00 15.41 C ATOM 1040 C MET A 69 12.985 -6.686 -8.734 1.00 54.42 C ATOM 1041 O MET A 69 12.040 -6.144 -8.158 1.00 44.23 O ATOM 1042 CB MET A 69 13.199 -9.171 -8.917 1.00 61.42 C ATOM 1043 CG MET A 69 12.040 -10.059 -8.494 1.00 21.12 C ATOM 1044 SD MET A 69 11.802 -11.464 -9.598 1.00 74.14 S ATOM 1045 CE MET A 69 10.971 -10.675 -10.975 1.00 73.11 C ATOM 0 H MET A 69 14.079 -8.541 -11.134 1.00 40.33 H new ATOM 0 HA MET A 69 11.698 -7.963 -9.867 1.00 15.41 H new ATOM 0 HB2 MET A 69 13.861 -9.739 -9.571 1.00 61.42 H new ATOM 0 HB3 MET A 69 13.779 -8.900 -8.035 1.00 61.42 H new ATOM 0 HG2 MET A 69 12.217 -10.423 -7.482 1.00 21.12 H new ATOM 0 HG3 MET A 69 11.126 -9.466 -8.464 1.00 21.12 H new ATOM 0 HE1 MET A 69 10.756 -11.417 -11.744 1.00 73.11 H new ATOM 0 HE2 MET A 69 10.038 -10.229 -10.630 1.00 73.11 H new ATOM 0 HE3 MET A 69 11.613 -9.898 -11.390 1.00 73.11 H new ATOM 1055 N THR A 70 14.241 -6.267 -8.614 1.00 54.32 N ATOM 1056 CA THR A 70 14.589 -5.123 -7.781 1.00 35.05 C ATOM 1057 C THR A 70 14.248 -3.811 -8.478 1.00 0.25 C ATOM 1058 O THR A 70 13.928 -2.817 -7.827 1.00 53.50 O ATOM 1059 CB THR A 70 16.086 -5.126 -7.419 1.00 51.14 C ATOM 1060 OG1 THR A 70 16.427 -6.347 -6.754 1.00 61.33 O ATOM 1061 CG2 THR A 70 16.429 -3.943 -6.526 1.00 65.24 C ATOM 0 H THR A 70 15.034 -6.703 -9.084 1.00 54.32 H new ATOM 0 HA THR A 70 14.002 -5.208 -6.866 1.00 35.05 H new ATOM 0 HB THR A 70 16.660 -5.043 -8.342 1.00 51.14 H new ATOM 0 HG1 THR A 70 15.699 -6.606 -6.151 1.00 61.33 H new ATOM 0 HG21 THR A 70 17.491 -3.966 -6.283 1.00 65.24 H new ATOM 0 HG22 THR A 70 16.196 -3.014 -7.047 1.00 65.24 H new ATOM 0 HG23 THR A 70 15.846 -4.000 -5.607 1.00 65.24 H new ATOM 1069 N ALA A 71 14.319 -3.815 -9.805 1.00 31.24 N ATOM 1070 CA ALA A 71 14.015 -2.625 -10.590 1.00 23.32 C ATOM 1071 C ALA A 71 14.937 -1.470 -10.214 1.00 51.14 C ATOM 1072 O ALA A 71 15.728 -1.572 -9.276 1.00 71.35 O ATOM 1073 CB ALA A 71 12.560 -2.225 -10.400 1.00 73.11 C ATOM 0 H ALA A 71 14.584 -4.629 -10.359 1.00 31.24 H new ATOM 0 HA ALA A 71 14.181 -2.861 -11.641 1.00 23.32 H new ATOM 0 HB1 ALA A 71 12.347 -1.335 -10.992 1.00 73.11 H new ATOM 0 HB2 ALA A 71 11.913 -3.040 -10.725 1.00 73.11 H new ATOM 0 HB3 ALA A 71 12.375 -2.013 -9.347 1.00 73.11 H new