USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 496 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 11 ASN : amide:sc= 0.315 K(o=0.32,f=-0.6) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0636) USER MOD Single : A 14 MET CE :methyl -176:sc= -0.447 (180deg=-0.487) USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= 1.26 (180deg=0.414) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.474 K(o=0.47,f=-0.87) USER MOD Single : A 32 TYR OH : rot -30:sc= 1.18 USER MOD Single : A 50 MET CE :methyl -155:sc= 0 (180deg=-0.0779) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 0.337 (180deg=-0.752) USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.37) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -172:sc= 0 (180deg=-0.095) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -11.667 1.750 0.603 1.00 13.30 N ATOM 85 CA ALA A 6 -10.504 1.553 -0.234 1.00 63.44 C ATOM 86 C ALA A 6 -9.277 2.309 0.238 1.00 42.24 C ATOM 87 O ALA A 6 -8.206 1.843 -0.117 1.00 50.25 O ATOM 88 CB ALA A 6 -10.783 1.905 -1.697 1.00 63.45 C ATOM 0 HA ALA A 6 -10.286 0.488 -0.153 1.00 63.44 H new ATOM 0 HB1 ALA A 6 -9.882 1.742 -2.289 1.00 63.45 H new ATOM 0 HB2 ALA A 6 -11.586 1.273 -2.077 1.00 63.45 H new ATOM 0 HB3 ALA A 6 -11.080 2.951 -1.769 1.00 63.45 H new ATOM 94 N GLU A 7 -9.366 3.397 1.016 1.00 44.34 N ATOM 95 CA GLU A 7 -8.157 4.073 1.531 1.00 30.10 C ATOM 96 C GLU A 7 -7.227 3.047 2.192 1.00 31.41 C ATOM 97 O GLU A 7 -6.084 2.857 1.768 1.00 51.42 O ATOM 98 CB GLU A 7 -8.558 5.197 2.519 1.00 73.32 C ATOM 99 CG GLU A 7 -8.199 6.615 2.051 1.00 53.41 C ATOM 100 CD GLU A 7 -9.048 7.710 2.740 1.00 5.22 C ATOM 101 OE1 GLU A 7 -9.246 7.647 3.971 1.00 50.52 O ATOM 102 OE2 GLU A 7 -9.569 8.627 2.045 1.00 4.22 O ATOM 0 H GLU A 7 -10.246 3.826 1.302 1.00 44.34 H new ATOM 0 HA GLU A 7 -7.616 4.533 0.704 1.00 30.10 H new ATOM 0 HB2 GLU A 7 -9.633 5.146 2.690 1.00 73.32 H new ATOM 0 HB3 GLU A 7 -8.073 5.011 3.477 1.00 73.32 H new ATOM 0 HG2 GLU A 7 -7.144 6.802 2.250 1.00 53.41 H new ATOM 0 HG3 GLU A 7 -8.336 6.682 0.972 1.00 53.41 H new ATOM 109 N ALA A 8 -7.786 2.279 3.132 1.00 10.12 N ATOM 110 CA ALA A 8 -7.100 1.169 3.771 1.00 5.50 C ATOM 111 C ALA A 8 -6.662 0.104 2.768 1.00 10.13 C ATOM 112 O ALA A 8 -5.489 -0.263 2.744 1.00 24.13 O ATOM 113 CB ALA A 8 -7.987 0.575 4.859 1.00 41.13 C ATOM 0 H ALA A 8 -8.738 2.418 3.469 1.00 10.12 H new ATOM 0 HA ALA A 8 -6.187 1.553 4.226 1.00 5.50 H new ATOM 0 HB1 ALA A 8 -7.470 -0.257 5.336 1.00 41.13 H new ATOM 0 HB2 ALA A 8 -8.210 1.339 5.604 1.00 41.13 H new ATOM 0 HB3 ALA A 8 -8.917 0.218 4.416 1.00 41.13 H new ATOM 119 N ARG A 9 -7.580 -0.442 1.960 1.00 1.34 N ATOM 120 CA ARG A 9 -7.240 -1.587 1.110 1.00 11.53 C ATOM 121 C ARG A 9 -6.182 -1.219 0.060 1.00 71.34 C ATOM 122 O ARG A 9 -5.384 -2.084 -0.301 1.00 54.21 O ATOM 123 CB ARG A 9 -8.499 -2.188 0.463 1.00 72.15 C ATOM 124 CG ARG A 9 -8.555 -3.727 0.394 1.00 42.23 C ATOM 125 CD ARG A 9 -7.290 -4.421 -0.143 1.00 65.23 C ATOM 126 NE ARG A 9 -7.453 -5.863 -0.413 1.00 22.42 N ATOM 127 CZ ARG A 9 -7.713 -6.855 0.453 1.00 43.12 C ATOM 128 NH1 ARG A 9 -7.920 -6.628 1.742 1.00 14.52 N ATOM 129 NH2 ARG A 9 -7.779 -8.104 0.011 1.00 12.14 N ATOM 0 H ARG A 9 -8.543 -0.117 1.878 1.00 1.34 H new ATOM 0 HA ARG A 9 -6.800 -2.353 1.748 1.00 11.53 H new ATOM 0 HB2 ARG A 9 -9.370 -1.837 1.016 1.00 72.15 H new ATOM 0 HB3 ARG A 9 -8.585 -1.795 -0.550 1.00 72.15 H new ATOM 0 HG2 ARG A 9 -8.759 -4.109 1.394 1.00 42.23 H new ATOM 0 HG3 ARG A 9 -9.398 -4.013 -0.235 1.00 42.23 H new ATOM 0 HD2 ARG A 9 -6.981 -3.924 -1.063 1.00 65.23 H new ATOM 0 HD3 ARG A 9 -6.483 -4.288 0.578 1.00 65.23 H new ATOM 0 HE ARG A 9 -7.355 -6.143 -1.389 1.00 22.42 H new ATOM 0 HH11 ARG A 9 -7.884 -5.675 2.104 1.00 14.52 H new ATOM 0 HH12 ARG A 9 -8.115 -7.406 2.372 1.00 14.52 H new ATOM 0 HH21 ARG A 9 -7.633 -8.303 -0.979 1.00 12.14 H new ATOM 0 HH22 ARG A 9 -7.976 -8.865 0.661 1.00 12.14 H new ATOM 143 N ARG A 10 -6.127 0.037 -0.410 1.00 65.34 N ATOM 144 CA ARG A 10 -5.076 0.544 -1.298 1.00 42.43 C ATOM 145 C ARG A 10 -3.741 0.257 -0.628 1.00 73.42 C ATOM 146 O ARG A 10 -2.921 -0.501 -1.144 1.00 1.35 O ATOM 147 CB ARG A 10 -5.236 2.068 -1.561 1.00 43.44 C ATOM 148 CG ARG A 10 -4.896 2.478 -3.006 1.00 42.31 C ATOM 149 CD ARG A 10 -4.572 3.976 -3.146 1.00 21.04 C ATOM 150 NE ARG A 10 -5.457 4.831 -2.335 1.00 32.22 N ATOM 151 CZ ARG A 10 -5.342 6.158 -2.157 1.00 44.51 C ATOM 152 NH1 ARG A 10 -4.645 6.910 -3.001 1.00 23.20 N ATOM 153 NH2 ARG A 10 -5.940 6.757 -1.133 1.00 53.15 N ATOM 0 H ARG A 10 -6.828 0.741 -0.177 1.00 65.34 H new ATOM 0 HA ARG A 10 -5.140 0.051 -2.268 1.00 42.43 H new ATOM 0 HB2 ARG A 10 -6.262 2.362 -1.340 1.00 43.44 H new ATOM 0 HB3 ARG A 10 -4.592 2.617 -0.874 1.00 43.44 H new ATOM 0 HG2 ARG A 10 -4.044 1.894 -3.353 1.00 42.31 H new ATOM 0 HG3 ARG A 10 -5.736 2.232 -3.655 1.00 42.31 H new ATOM 0 HD2 ARG A 10 -3.537 4.148 -2.850 1.00 21.04 H new ATOM 0 HD3 ARG A 10 -4.656 4.265 -4.194 1.00 21.04 H new ATOM 0 HE ARG A 10 -6.234 4.370 -1.862 1.00 32.22 H new ATOM 0 HH11 ARG A 10 -4.184 6.482 -3.804 1.00 23.20 H new ATOM 0 HH12 ARG A 10 -4.571 7.916 -2.846 1.00 23.20 H new ATOM 0 HH21 ARG A 10 -6.492 6.209 -0.473 1.00 53.15 H new ATOM 0 HH22 ARG A 10 -5.847 7.765 -1.006 1.00 53.15 H new ATOM 167 N ASN A 11 -3.556 0.833 0.556 1.00 71.23 N ATOM 168 CA ASN A 11 -2.310 0.757 1.291 1.00 23.22 C ATOM 169 C ASN A 11 -1.998 -0.678 1.699 1.00 34.34 C ATOM 170 O ASN A 11 -0.842 -1.084 1.720 1.00 52.44 O ATOM 171 CB ASN A 11 -2.398 1.663 2.519 1.00 50.52 C ATOM 172 CG ASN A 11 -2.177 3.102 2.096 1.00 71.35 C ATOM 173 OD1 ASN A 11 -1.053 3.474 1.794 1.00 70.14 O ATOM 174 ND2 ASN A 11 -3.234 3.882 1.966 1.00 65.04 N ATOM 0 H ASN A 11 -4.280 1.371 1.033 1.00 71.23 H new ATOM 0 HA ASN A 11 -1.497 1.095 0.648 1.00 23.22 H new ATOM 0 HB2 ASN A 11 -3.373 1.557 2.994 1.00 50.52 H new ATOM 0 HB3 ASN A 11 -1.651 1.370 3.256 1.00 50.52 H new ATOM 0 HD21 ASN A 11 -3.127 4.829 1.603 1.00 65.04 H new ATOM 0 HD22 ASN A 11 -4.157 3.537 2.228 1.00 65.04 H new ATOM 181 N LYS A 12 -3.020 -1.478 2.011 1.00 12.51 N ATOM 182 CA LYS A 12 -2.865 -2.873 2.404 1.00 30.02 C ATOM 183 C LYS A 12 -2.287 -3.703 1.254 1.00 11.33 C ATOM 184 O LYS A 12 -1.239 -4.320 1.425 1.00 25.13 O ATOM 185 CB LYS A 12 -4.210 -3.395 2.930 1.00 63.11 C ATOM 186 CG LYS A 12 -4.043 -4.726 3.664 1.00 53.33 C ATOM 187 CD LYS A 12 -5.281 -5.057 4.510 1.00 2.22 C ATOM 188 CE LYS A 12 -5.125 -6.319 5.370 1.00 24.33 C ATOM 189 NZ LYS A 12 -4.006 -6.239 6.336 1.00 2.51 N ATOM 0 H LYS A 12 -3.991 -1.167 1.996 1.00 12.51 H new ATOM 0 HA LYS A 12 -2.142 -2.963 3.215 1.00 30.02 H new ATOM 0 HB2 LYS A 12 -4.650 -2.659 3.603 1.00 63.11 H new ATOM 0 HB3 LYS A 12 -4.904 -3.521 2.099 1.00 63.11 H new ATOM 0 HG2 LYS A 12 -3.871 -5.523 2.941 1.00 53.33 H new ATOM 0 HG3 LYS A 12 -3.163 -4.682 4.306 1.00 53.33 H new ATOM 0 HD2 LYS A 12 -5.502 -4.211 5.160 1.00 2.22 H new ATOM 0 HD3 LYS A 12 -6.138 -5.183 3.849 1.00 2.22 H new ATOM 0 HE2 LYS A 12 -6.053 -6.496 5.914 1.00 24.33 H new ATOM 0 HE3 LYS A 12 -4.970 -7.178 4.717 1.00 24.33 H new ATOM 0 HZ1 LYS A 12 -4.039 -7.060 6.974 1.00 2.51 H new ATOM 0 HZ2 LYS A 12 -3.102 -6.236 5.821 1.00 2.51 H new ATOM 0 HZ3 LYS A 12 -4.090 -5.365 6.893 1.00 2.51 H new ATOM 203 N LEU A 13 -2.913 -3.668 0.070 1.00 71.34 N ATOM 204 CA LEU A 13 -2.384 -4.303 -1.139 1.00 24.23 C ATOM 205 C LEU A 13 -0.973 -3.809 -1.448 1.00 34.03 C ATOM 206 O LEU A 13 -0.126 -4.603 -1.861 1.00 72.32 O ATOM 207 CB LEU A 13 -3.273 -4.004 -2.355 1.00 44.20 C ATOM 208 CG LEU A 13 -4.403 -5.006 -2.590 1.00 5.44 C ATOM 209 CD1 LEU A 13 -5.262 -4.502 -3.752 1.00 72.32 C ATOM 210 CD2 LEU A 13 -3.822 -6.376 -2.937 1.00 42.44 C ATOM 0 H LEU A 13 -3.805 -3.195 -0.074 1.00 71.34 H new ATOM 0 HA LEU A 13 -2.366 -5.376 -0.949 1.00 24.23 H new ATOM 0 HB2 LEU A 13 -3.707 -3.011 -2.234 1.00 44.20 H new ATOM 0 HB3 LEU A 13 -2.646 -3.971 -3.246 1.00 44.20 H new ATOM 0 HG LEU A 13 -5.008 -5.102 -1.688 1.00 5.44 H new ATOM 0 HD11 LEU A 13 -6.075 -5.205 -3.935 1.00 72.32 H new ATOM 0 HD12 LEU A 13 -5.676 -3.525 -3.501 1.00 72.32 H new ATOM 0 HD13 LEU A 13 -4.648 -4.416 -4.648 1.00 72.32 H new ATOM 0 HD21 LEU A 13 -4.634 -7.084 -3.103 1.00 42.44 H new ATOM 0 HD22 LEU A 13 -3.219 -6.297 -3.842 1.00 42.44 H new ATOM 0 HD23 LEU A 13 -3.198 -6.726 -2.114 1.00 42.44 H new ATOM 222 N MET A 14 -0.715 -2.506 -1.294 1.00 54.20 N ATOM 223 CA MET A 14 0.603 -1.960 -1.552 1.00 52.43 C ATOM 224 C MET A 14 1.612 -2.603 -0.610 1.00 74.22 C ATOM 225 O MET A 14 2.613 -3.153 -1.060 1.00 43.32 O ATOM 226 CB MET A 14 0.572 -0.436 -1.412 1.00 74.00 C ATOM 227 CG MET A 14 1.861 0.181 -1.947 1.00 23.52 C ATOM 228 SD MET A 14 2.187 -0.158 -3.695 1.00 54.32 S ATOM 229 CE MET A 14 3.676 0.850 -3.847 1.00 45.01 C ATOM 0 H MET A 14 -1.406 -1.819 -0.992 1.00 54.20 H new ATOM 0 HA MET A 14 0.910 -2.186 -2.573 1.00 52.43 H new ATOM 0 HB2 MET A 14 -0.283 -0.033 -1.955 1.00 74.00 H new ATOM 0 HB3 MET A 14 0.440 -0.165 -0.365 1.00 74.00 H new ATOM 0 HG2 MET A 14 1.820 1.260 -1.801 1.00 23.52 H new ATOM 0 HG3 MET A 14 2.699 -0.189 -1.356 1.00 23.52 H new ATOM 0 HE1 MET A 14 4.015 0.844 -4.883 1.00 45.01 H new ATOM 0 HE2 MET A 14 3.455 1.873 -3.543 1.00 45.01 H new ATOM 0 HE3 MET A 14 4.458 0.442 -3.207 1.00 45.01 H new ATOM 239 N GLY A 15 1.319 -2.592 0.691 1.00 25.34 N ATOM 240 CA GLY A 15 2.142 -3.204 1.714 1.00 23.12 C ATOM 241 C GLY A 15 2.457 -4.660 1.391 1.00 2.13 C ATOM 242 O GLY A 15 3.617 -5.049 1.463 1.00 25.45 O ATOM 0 H GLY A 15 0.481 -2.145 1.063 1.00 25.34 H new ATOM 0 HA2 GLY A 15 3.072 -2.645 1.815 1.00 23.12 H new ATOM 0 HA3 GLY A 15 1.630 -3.147 2.675 1.00 23.12 H new ATOM 246 N LEU A 16 1.457 -5.454 1.000 1.00 50.34 N ATOM 247 CA LEU A 16 1.656 -6.850 0.637 1.00 31.41 C ATOM 248 C LEU A 16 2.680 -6.989 -0.486 1.00 52.22 C ATOM 249 O LEU A 16 3.600 -7.797 -0.362 1.00 53.40 O ATOM 250 CB LEU A 16 0.323 -7.487 0.221 1.00 44.52 C ATOM 251 CG LEU A 16 -0.597 -7.842 1.397 1.00 73.01 C ATOM 252 CD1 LEU A 16 -1.947 -8.301 0.839 1.00 34.04 C ATOM 253 CD2 LEU A 16 0.014 -8.916 2.311 1.00 63.30 C ATOM 0 H LEU A 16 0.488 -5.142 0.928 1.00 50.34 H new ATOM 0 HA LEU A 16 2.042 -7.373 1.512 1.00 31.41 H new ATOM 0 HB2 LEU A 16 -0.203 -6.802 -0.444 1.00 44.52 H new ATOM 0 HB3 LEU A 16 0.528 -8.392 -0.352 1.00 44.52 H new ATOM 0 HG LEU A 16 -0.730 -6.955 2.017 1.00 73.01 H new ATOM 0 HD11 LEU A 16 -2.613 -8.557 1.663 1.00 34.04 H new ATOM 0 HD12 LEU A 16 -2.390 -7.497 0.251 1.00 34.04 H new ATOM 0 HD13 LEU A 16 -1.800 -9.176 0.205 1.00 34.04 H new ATOM 0 HD21 LEU A 16 -0.674 -9.133 3.128 1.00 63.30 H new ATOM 0 HD22 LEU A 16 0.193 -9.825 1.736 1.00 63.30 H new ATOM 0 HD23 LEU A 16 0.958 -8.553 2.718 1.00 63.30 H new ATOM 265 N TRP A 17 2.542 -6.213 -1.565 1.00 73.10 N ATOM 266 CA TRP A 17 3.492 -6.250 -2.672 1.00 24.33 C ATOM 267 C TRP A 17 4.894 -5.886 -2.190 1.00 25.34 C ATOM 268 O TRP A 17 5.838 -6.620 -2.455 1.00 31.24 O ATOM 269 CB TRP A 17 3.037 -5.329 -3.806 1.00 21.44 C ATOM 270 CG TRP A 17 4.034 -5.171 -4.911 1.00 11.24 C ATOM 271 CD1 TRP A 17 4.397 -6.140 -5.782 1.00 11.05 C ATOM 272 CD2 TRP A 17 4.873 -4.015 -5.223 1.00 13.15 C ATOM 273 NE1 TRP A 17 5.356 -5.642 -6.641 1.00 51.13 N ATOM 274 CE2 TRP A 17 5.702 -4.346 -6.330 1.00 72.31 C ATOM 275 CE3 TRP A 17 5.014 -2.718 -4.683 1.00 65.20 C ATOM 276 CZ2 TRP A 17 6.624 -3.440 -6.871 1.00 5.25 C ATOM 277 CZ3 TRP A 17 5.948 -1.804 -5.207 1.00 70.52 C ATOM 278 CH2 TRP A 17 6.753 -2.163 -6.303 1.00 30.24 C ATOM 0 H TRP A 17 1.777 -5.550 -1.692 1.00 73.10 H new ATOM 0 HA TRP A 17 3.527 -7.267 -3.063 1.00 24.33 H new ATOM 0 HB2 TRP A 17 2.108 -5.718 -4.224 1.00 21.44 H new ATOM 0 HB3 TRP A 17 2.813 -4.346 -3.392 1.00 21.44 H new ATOM 0 HD1 TRP A 17 4.000 -7.144 -5.802 1.00 11.05 H new ATOM 0 HE1 TRP A 17 5.760 -6.171 -7.414 1.00 51.13 H new ATOM 0 HE3 TRP A 17 4.393 -2.421 -3.851 1.00 65.20 H new ATOM 0 HZ2 TRP A 17 7.231 -3.722 -7.719 1.00 5.25 H new ATOM 0 HZ3 TRP A 17 6.047 -0.823 -4.766 1.00 70.52 H new ATOM 0 HH2 TRP A 17 7.467 -1.460 -6.706 1.00 30.24 H new ATOM 289 N VAL A 18 5.043 -4.788 -1.452 1.00 10.41 N ATOM 290 CA VAL A 18 6.344 -4.334 -0.975 1.00 23.33 C ATOM 291 C VAL A 18 6.970 -5.421 -0.094 1.00 5.14 C ATOM 292 O VAL A 18 8.147 -5.718 -0.248 1.00 53.42 O ATOM 293 CB VAL A 18 6.190 -3.002 -0.226 1.00 5.14 C ATOM 294 CG1 VAL A 18 7.533 -2.462 0.286 1.00 63.50 C ATOM 295 CG2 VAL A 18 5.515 -1.909 -1.067 1.00 41.41 C ATOM 0 H VAL A 18 4.266 -4.190 -1.169 1.00 10.41 H new ATOM 0 HA VAL A 18 7.013 -4.158 -1.817 1.00 23.33 H new ATOM 0 HB VAL A 18 5.545 -3.239 0.620 1.00 5.14 H new ATOM 0 HG11 VAL A 18 7.371 -1.519 0.808 1.00 63.50 H new ATOM 0 HG12 VAL A 18 7.978 -3.184 0.970 1.00 63.50 H new ATOM 0 HG13 VAL A 18 8.205 -2.299 -0.557 1.00 63.50 H new ATOM 0 HG21 VAL A 18 5.437 -0.994 -0.480 1.00 41.41 H new ATOM 0 HG22 VAL A 18 6.110 -1.717 -1.960 1.00 41.41 H new ATOM 0 HG23 VAL A 18 4.518 -2.239 -1.360 1.00 41.41 H new ATOM 305 N ALA A 19 6.198 -6.041 0.803 1.00 33.13 N ATOM 306 CA ALA A 19 6.625 -7.177 1.614 1.00 23.13 C ATOM 307 C ALA A 19 7.182 -8.303 0.752 1.00 20.24 C ATOM 308 O ALA A 19 8.281 -8.787 1.007 1.00 32.12 O ATOM 309 CB ALA A 19 5.465 -7.620 2.507 1.00 0.43 C ATOM 0 H ALA A 19 5.236 -5.757 0.987 1.00 33.13 H new ATOM 0 HA ALA A 19 7.449 -6.876 2.260 1.00 23.13 H new ATOM 0 HB1 ALA A 19 5.778 -8.469 3.115 1.00 0.43 H new ATOM 0 HB2 ALA A 19 5.171 -6.796 3.157 1.00 0.43 H new ATOM 0 HB3 ALA A 19 4.618 -7.912 1.886 1.00 0.43 H new ATOM 315 N GLU A 20 6.460 -8.682 -0.291 1.00 52.04 N ATOM 316 CA GLU A 20 6.904 -9.645 -1.284 1.00 73.20 C ATOM 317 C GLU A 20 8.198 -9.193 -1.986 1.00 75.24 C ATOM 318 O GLU A 20 9.072 -10.028 -2.208 1.00 14.35 O ATOM 319 CB GLU A 20 5.697 -9.919 -2.194 1.00 3.45 C ATOM 320 CG GLU A 20 5.967 -10.396 -3.619 1.00 1.45 C ATOM 321 CD GLU A 20 4.636 -10.613 -4.345 1.00 15.21 C ATOM 322 OE1 GLU A 20 3.863 -9.643 -4.537 1.00 45.10 O ATOM 323 OE2 GLU A 20 4.330 -11.767 -4.719 1.00 60.21 O ATOM 0 H GLU A 20 5.525 -8.318 -0.474 1.00 52.04 H new ATOM 0 HA GLU A 20 7.210 -10.592 -0.840 1.00 73.20 H new ATOM 0 HB2 GLU A 20 5.073 -10.666 -1.704 1.00 3.45 H new ATOM 0 HB3 GLU A 20 5.110 -9.003 -2.254 1.00 3.45 H new ATOM 0 HG2 GLU A 20 6.569 -9.660 -4.152 1.00 1.45 H new ATOM 0 HG3 GLU A 20 6.539 -11.323 -3.601 1.00 1.45 H new ATOM 330 N VAL A 21 8.388 -7.904 -2.284 1.00 73.20 N ATOM 331 CA VAL A 21 9.631 -7.370 -2.855 1.00 41.02 C ATOM 332 C VAL A 21 10.778 -7.384 -1.824 1.00 44.40 C ATOM 333 O VAL A 21 11.936 -7.532 -2.210 1.00 52.13 O ATOM 334 CB VAL A 21 9.372 -5.969 -3.459 1.00 4.15 C ATOM 335 CG1 VAL A 21 10.642 -5.307 -4.018 1.00 54.12 C ATOM 336 CG2 VAL A 21 8.377 -6.039 -4.628 1.00 42.04 C ATOM 0 H VAL A 21 7.674 -7.191 -2.134 1.00 73.20 H new ATOM 0 HA VAL A 21 9.960 -8.018 -3.667 1.00 41.02 H new ATOM 0 HB VAL A 21 8.981 -5.381 -2.629 1.00 4.15 H new ATOM 0 HG11 VAL A 21 10.392 -4.328 -4.427 1.00 54.12 H new ATOM 0 HG12 VAL A 21 11.374 -5.191 -3.219 1.00 54.12 H new ATOM 0 HG13 VAL A 21 11.062 -5.933 -4.806 1.00 54.12 H new ATOM 0 HG21 VAL A 21 8.217 -5.039 -5.030 1.00 42.04 H new ATOM 0 HG22 VAL A 21 8.779 -6.684 -5.410 1.00 42.04 H new ATOM 0 HG23 VAL A 21 7.429 -6.444 -4.275 1.00 42.04 H new ATOM 346 N LEU A 22 10.501 -7.251 -0.522 1.00 2.15 N ATOM 347 CA LEU A 22 11.475 -7.433 0.558 1.00 51.03 C ATOM 348 C LEU A 22 11.654 -8.920 0.909 1.00 41.41 C ATOM 349 O LEU A 22 12.371 -9.243 1.861 1.00 20.52 O ATOM 350 CB LEU A 22 11.068 -6.589 1.788 1.00 73.32 C ATOM 351 CG LEU A 22 11.603 -5.143 1.735 1.00 64.43 C ATOM 352 CD1 LEU A 22 11.022 -4.306 0.595 1.00 13.12 C ATOM 353 CD2 LEU A 22 11.285 -4.401 3.031 1.00 41.41 C ATOM 0 H LEU A 22 9.570 -7.008 -0.183 1.00 2.15 H new ATOM 0 HA LEU A 22 12.447 -7.078 0.215 1.00 51.03 H new ATOM 0 HB2 LEU A 22 9.981 -6.565 1.861 1.00 73.32 H new ATOM 0 HB3 LEU A 22 11.437 -7.074 2.692 1.00 73.32 H new ATOM 0 HG LEU A 22 12.676 -5.253 1.577 1.00 64.43 H new ATOM 0 HD11 LEU A 22 11.448 -3.303 0.626 1.00 13.12 H new ATOM 0 HD12 LEU A 22 11.264 -4.773 -0.360 1.00 13.12 H new ATOM 0 HD13 LEU A 22 9.939 -4.244 0.704 1.00 13.12 H new ATOM 0 HD21 LEU A 22 11.671 -3.383 2.972 1.00 41.41 H new ATOM 0 HD22 LEU A 22 10.205 -4.371 3.178 1.00 41.41 H new ATOM 0 HD23 LEU A 22 11.751 -4.918 3.870 1.00 41.41 H new ATOM 365 N GLY A 23 11.005 -9.838 0.184 1.00 61.42 N ATOM 366 CA GLY A 23 11.104 -11.265 0.443 1.00 22.12 C ATOM 367 C GLY A 23 10.583 -11.620 1.832 1.00 34.33 C ATOM 368 O GLY A 23 11.005 -12.622 2.411 1.00 54.33 O ATOM 0 H GLY A 23 10.396 -9.604 -0.600 1.00 61.42 H new ATOM 0 HA2 GLY A 23 10.537 -11.812 -0.310 1.00 22.12 H new ATOM 0 HA3 GLY A 23 12.143 -11.581 0.352 1.00 22.12 H new ATOM 372 N LYS A 24 9.708 -10.804 2.425 1.00 71.43 N ATOM 373 CA LYS A 24 8.943 -11.201 3.603 1.00 54.23 C ATOM 374 C LYS A 24 7.990 -12.323 3.187 1.00 63.14 C ATOM 375 O LYS A 24 7.868 -12.654 2.003 1.00 62.53 O ATOM 376 CB LYS A 24 8.184 -9.987 4.163 1.00 43.42 C ATOM 377 CG LYS A 24 9.108 -8.938 4.806 1.00 20.21 C ATOM 378 CD LYS A 24 8.333 -7.670 5.190 1.00 53.23 C ATOM 379 CE LYS A 24 9.275 -6.611 5.783 1.00 60.14 C ATOM 380 NZ LYS A 24 9.080 -6.404 7.232 1.00 43.21 N ATOM 0 H LYS A 24 9.513 -9.856 2.103 1.00 71.43 H new ATOM 0 HA LYS A 24 9.599 -11.564 4.394 1.00 54.23 H new ATOM 0 HB2 LYS A 24 7.617 -9.518 3.358 1.00 43.42 H new ATOM 0 HB3 LYS A 24 7.462 -10.329 4.904 1.00 43.42 H new ATOM 0 HG2 LYS A 24 9.579 -9.361 5.693 1.00 20.21 H new ATOM 0 HG3 LYS A 24 9.908 -8.681 4.112 1.00 20.21 H new ATOM 0 HD2 LYS A 24 7.831 -7.265 4.311 1.00 53.23 H new ATOM 0 HD3 LYS A 24 7.557 -7.918 5.914 1.00 53.23 H new ATOM 0 HE2 LYS A 24 10.307 -6.910 5.601 1.00 60.14 H new ATOM 0 HE3 LYS A 24 9.121 -5.665 5.264 1.00 60.14 H new ATOM 0 HZ1 LYS A 24 9.984 -6.134 7.669 1.00 43.21 H new ATOM 0 HZ2 LYS A 24 8.383 -5.647 7.384 1.00 43.21 H new ATOM 0 HZ3 LYS A 24 8.735 -7.284 7.665 1.00 43.21 H new ATOM 394 N SER A 25 7.301 -12.916 4.147 1.00 12.25 N ATOM 395 CA SER A 25 6.274 -13.903 3.880 1.00 34.12 C ATOM 396 C SER A 25 5.223 -13.820 4.978 1.00 55.42 C ATOM 397 O SER A 25 5.420 -13.101 5.963 1.00 2.52 O ATOM 398 CB SER A 25 6.920 -15.294 3.763 1.00 14.22 C ATOM 399 OG SER A 25 7.869 -15.560 4.789 1.00 1.31 O ATOM 0 H SER A 25 7.441 -12.724 5.139 1.00 12.25 H new ATOM 0 HA SER A 25 5.773 -13.710 2.931 1.00 34.12 H new ATOM 0 HB2 SER A 25 6.139 -16.054 3.794 1.00 14.22 H new ATOM 0 HB3 SER A 25 7.410 -15.379 2.793 1.00 14.22 H new ATOM 0 HG SER A 25 8.244 -16.457 4.664 1.00 1.31 H new ATOM 405 N GLY A 26 4.135 -14.571 4.807 1.00 54.32 N ATOM 406 CA GLY A 26 3.152 -14.857 5.833 1.00 4.31 C ATOM 407 C GLY A 26 2.759 -13.628 6.630 1.00 75.42 C ATOM 408 O GLY A 26 2.230 -12.651 6.095 1.00 44.32 O ATOM 0 H GLY A 26 3.913 -15.010 3.914 1.00 54.32 H new ATOM 0 HA2 GLY A 26 2.263 -15.283 5.369 1.00 4.31 H new ATOM 0 HA3 GLY A 26 3.550 -15.612 6.511 1.00 4.31 H new ATOM 412 N ASP A 27 3.015 -13.685 7.929 1.00 61.40 N ATOM 413 CA ASP A 27 2.511 -12.692 8.854 1.00 14.24 C ATOM 414 C ASP A 27 3.442 -11.518 9.029 1.00 22.31 C ATOM 415 O ASP A 27 2.995 -10.460 9.464 1.00 73.43 O ATOM 416 CB ASP A 27 2.195 -13.323 10.197 1.00 52.51 C ATOM 417 CG ASP A 27 0.761 -13.832 10.132 1.00 14.53 C ATOM 418 OD1 ASP A 27 -0.169 -12.997 10.253 1.00 73.03 O ATOM 419 OD2 ASP A 27 0.549 -15.006 9.759 1.00 63.42 O ATOM 0 H ASP A 27 3.575 -14.418 8.365 1.00 61.40 H new ATOM 0 HA ASP A 27 1.594 -12.300 8.415 1.00 14.24 H new ATOM 0 HB2 ASP A 27 2.884 -14.141 10.409 1.00 52.51 H new ATOM 0 HB3 ASP A 27 2.308 -12.595 11.000 1.00 52.51 H new ATOM 424 N GLU A 28 4.709 -11.663 8.659 1.00 1.31 N ATOM 425 CA GLU A 28 5.589 -10.533 8.442 1.00 13.11 C ATOM 426 C GLU A 28 4.955 -9.600 7.405 1.00 64.31 C ATOM 427 O GLU A 28 4.773 -8.409 7.654 1.00 2.12 O ATOM 428 CB GLU A 28 6.960 -11.046 7.977 1.00 33.31 C ATOM 429 CG GLU A 28 8.037 -10.861 9.039 1.00 73.11 C ATOM 430 CD GLU A 28 8.588 -9.426 9.091 1.00 51.14 C ATOM 431 OE1 GLU A 28 7.945 -8.486 8.574 1.00 20.12 O ATOM 432 OE2 GLU A 28 9.700 -9.213 9.635 1.00 54.54 O ATOM 0 H GLU A 28 5.150 -12.569 8.502 1.00 1.31 H new ATOM 0 HA GLU A 28 5.732 -9.971 9.365 1.00 13.11 H new ATOM 0 HB2 GLU A 28 6.883 -12.103 7.721 1.00 33.31 H new ATOM 0 HB3 GLU A 28 7.254 -10.519 7.069 1.00 33.31 H new ATOM 0 HG2 GLU A 28 7.627 -11.123 10.014 1.00 73.11 H new ATOM 0 HG3 GLU A 28 8.856 -11.552 8.842 1.00 73.11 H new ATOM 439 N ALA A 29 4.527 -10.157 6.266 1.00 53.30 N ATOM 440 CA ALA A 29 3.858 -9.391 5.222 1.00 55.43 C ATOM 441 C ALA A 29 2.516 -8.810 5.696 1.00 61.13 C ATOM 442 O ALA A 29 2.114 -7.740 5.238 1.00 42.53 O ATOM 443 CB ALA A 29 3.674 -10.270 3.977 1.00 14.33 C ATOM 0 H ALA A 29 4.637 -11.147 6.048 1.00 53.30 H new ATOM 0 HA ALA A 29 4.489 -8.539 4.969 1.00 55.43 H new ATOM 0 HB1 ALA A 29 3.174 -9.696 3.197 1.00 14.33 H new ATOM 0 HB2 ALA A 29 4.649 -10.599 3.617 1.00 14.33 H new ATOM 0 HB3 ALA A 29 3.069 -11.140 4.232 1.00 14.33 H new ATOM 449 N ASN A 30 1.834 -9.477 6.630 1.00 32.04 N ATOM 450 CA ASN A 30 0.546 -9.026 7.166 1.00 43.50 C ATOM 451 C ASN A 30 0.766 -7.847 8.108 1.00 0.14 C ATOM 452 O ASN A 30 -0.016 -6.894 8.099 1.00 14.41 O ATOM 453 CB ASN A 30 -0.211 -10.131 7.928 1.00 24.41 C ATOM 454 CG ASN A 30 -0.731 -11.251 7.036 1.00 52.52 C ATOM 455 OD1 ASN A 30 -1.117 -11.013 5.896 1.00 40.22 O ATOM 456 ND2 ASN A 30 -0.851 -12.468 7.542 1.00 15.51 N ATOM 0 H ASN A 30 2.162 -10.352 7.039 1.00 32.04 H new ATOM 0 HA ASN A 30 -0.064 -8.737 6.310 1.00 43.50 H new ATOM 0 HB2 ASN A 30 0.451 -10.558 8.682 1.00 24.41 H new ATOM 0 HB3 ASN A 30 -1.051 -9.683 8.459 1.00 24.41 H new ATOM 0 HD21 ASN A 30 -1.266 -13.214 6.984 1.00 15.51 H new ATOM 0 HD22 ASN A 30 -0.528 -12.660 8.490 1.00 15.51 H new ATOM 463 N ALA A 31 1.810 -7.916 8.939 1.00 52.33 N ATOM 464 CA ALA A 31 2.230 -6.843 9.826 1.00 71.11 C ATOM 465 C ALA A 31 2.715 -5.636 9.027 1.00 22.43 C ATOM 466 O ALA A 31 2.387 -4.496 9.378 1.00 51.50 O ATOM 467 CB ALA A 31 3.345 -7.346 10.745 1.00 22.21 C ATOM 0 H ALA A 31 2.399 -8.746 9.010 1.00 52.33 H new ATOM 0 HA ALA A 31 1.375 -6.532 10.427 1.00 71.11 H new ATOM 0 HB1 ALA A 31 3.659 -6.541 11.410 1.00 22.21 H new ATOM 0 HB2 ALA A 31 2.978 -8.184 11.338 1.00 22.21 H new ATOM 0 HB3 ALA A 31 4.193 -7.672 10.143 1.00 22.21 H new ATOM 473 N TYR A 32 3.456 -5.890 7.946 1.00 72.21 N ATOM 474 CA TYR A 32 3.943 -4.840 7.066 1.00 11.54 C ATOM 475 C TYR A 32 2.746 -4.102 6.464 1.00 1.41 C ATOM 476 O TYR A 32 2.615 -2.880 6.554 1.00 11.43 O ATOM 477 CB TYR A 32 4.847 -5.434 5.978 1.00 55.12 C ATOM 478 CG TYR A 32 5.530 -4.340 5.189 1.00 63.23 C ATOM 479 CD1 TYR A 32 6.749 -3.789 5.630 1.00 63.23 C ATOM 480 CD2 TYR A 32 4.894 -3.801 4.060 1.00 34.15 C ATOM 481 CE1 TYR A 32 7.282 -2.653 5.001 1.00 52.21 C ATOM 482 CE2 TYR A 32 5.450 -2.696 3.396 1.00 33.42 C ATOM 483 CZ TYR A 32 6.606 -2.073 3.904 1.00 2.45 C ATOM 484 OH TYR A 32 7.049 -0.924 3.336 1.00 11.25 O ATOM 0 H TYR A 32 3.732 -6.830 7.661 1.00 72.21 H new ATOM 0 HA TYR A 32 4.543 -4.127 7.631 1.00 11.54 H new ATOM 0 HB2 TYR A 32 5.596 -6.081 6.435 1.00 55.12 H new ATOM 0 HB3 TYR A 32 4.255 -6.057 5.307 1.00 55.12 H new ATOM 0 HD1 TYR A 32 7.276 -4.243 6.456 1.00 63.23 H new ATOM 0 HD2 TYR A 32 3.974 -4.238 3.701 1.00 34.15 H new ATOM 0 HE1 TYR A 32 8.207 -2.223 5.355 1.00 52.21 H new ATOM 0 HE2 TYR A 32 4.990 -2.323 2.493 1.00 33.42 H new ATOM 0 HH TYR A 32 7.498 -0.376 4.013 1.00 11.25 H new ATOM 494 N ALA A 33 1.799 -4.865 5.916 1.00 60.12 N ATOM 495 CA ALA A 33 0.528 -4.391 5.392 1.00 44.51 C ATOM 496 C ALA A 33 -0.428 -3.840 6.474 1.00 60.42 C ATOM 497 O ALA A 33 -1.615 -3.656 6.196 1.00 1.43 O ATOM 498 CB ALA A 33 -0.108 -5.525 4.584 1.00 12.42 C ATOM 0 H ALA A 33 1.907 -5.875 5.824 1.00 60.12 H new ATOM 0 HA ALA A 33 0.721 -3.533 4.748 1.00 44.51 H new ATOM 0 HB1 ALA A 33 -1.064 -5.192 4.180 1.00 12.42 H new ATOM 0 HB2 ALA A 33 0.555 -5.804 3.765 1.00 12.42 H new ATOM 0 HB3 ALA A 33 -0.268 -6.388 5.231 1.00 12.42 H new ATOM 504 N ALA A 34 0.043 -3.559 7.692 1.00 44.22 N ATOM 505 CA ALA A 34 -0.663 -2.766 8.687 1.00 2.22 C ATOM 506 C ALA A 34 0.017 -1.412 8.887 1.00 42.42 C ATOM 507 O ALA A 34 -0.703 -0.418 8.938 1.00 50.11 O ATOM 508 CB ALA A 34 -0.778 -3.530 10.004 1.00 43.40 C ATOM 0 H ALA A 34 0.952 -3.889 8.017 1.00 44.22 H new ATOM 0 HA ALA A 34 -1.672 -2.578 8.321 1.00 2.22 H new ATOM 0 HB1 ALA A 34 -1.309 -2.919 10.734 1.00 43.40 H new ATOM 0 HB2 ALA A 34 -1.326 -4.458 9.840 1.00 43.40 H new ATOM 0 HB3 ALA A 34 0.219 -3.759 10.380 1.00 43.40 H new ATOM 514 N GLU A 35 1.355 -1.335 8.943 1.00 71.31 N ATOM 515 CA GLU A 35 2.051 -0.049 9.089 1.00 4.52 C ATOM 516 C GLU A 35 1.722 0.867 7.914 1.00 12.11 C ATOM 517 O GLU A 35 1.338 2.017 8.113 1.00 74.30 O ATOM 518 CB GLU A 35 3.577 -0.219 9.207 1.00 1.43 C ATOM 519 CG GLU A 35 3.964 -0.883 10.533 1.00 71.11 C ATOM 520 CD GLU A 35 5.390 -0.564 10.990 1.00 41.34 C ATOM 521 OE1 GLU A 35 6.354 -0.703 10.206 1.00 24.23 O ATOM 522 OE2 GLU A 35 5.567 -0.200 12.173 1.00 12.54 O ATOM 0 H GLU A 35 1.974 -2.144 8.890 1.00 71.31 H new ATOM 0 HA GLU A 35 1.698 0.402 10.017 1.00 4.52 H new ATOM 0 HB2 GLU A 35 3.943 -0.822 8.376 1.00 1.43 H new ATOM 0 HB3 GLU A 35 4.060 0.755 9.131 1.00 1.43 H new ATOM 0 HG2 GLU A 35 3.265 -0.564 11.306 1.00 71.11 H new ATOM 0 HG3 GLU A 35 3.858 -1.963 10.433 1.00 71.11 H new ATOM 529 N VAL A 36 1.803 0.337 6.692 1.00 41.21 N ATOM 530 CA VAL A 36 1.528 1.100 5.480 1.00 74.24 C ATOM 531 C VAL A 36 0.077 1.611 5.495 1.00 33.21 C ATOM 532 O VAL A 36 -0.215 2.689 4.980 1.00 24.33 O ATOM 533 CB VAL A 36 1.848 0.218 4.252 1.00 5.24 C ATOM 534 CG1 VAL A 36 1.661 0.944 2.918 1.00 54.51 C ATOM 535 CG2 VAL A 36 3.303 -0.273 4.273 1.00 64.11 C ATOM 0 H VAL A 36 2.062 -0.634 6.518 1.00 41.21 H new ATOM 0 HA VAL A 36 2.163 1.984 5.426 1.00 74.24 H new ATOM 0 HB VAL A 36 1.143 -0.610 4.324 1.00 5.24 H new ATOM 0 HG11 VAL A 36 1.903 0.267 2.098 1.00 54.51 H new ATOM 0 HG12 VAL A 36 0.626 1.272 2.824 1.00 54.51 H new ATOM 0 HG13 VAL A 36 2.321 1.810 2.880 1.00 54.51 H new ATOM 0 HG21 VAL A 36 3.491 -0.890 3.394 1.00 64.11 H new ATOM 0 HG22 VAL A 36 3.976 0.584 4.266 1.00 64.11 H new ATOM 0 HG23 VAL A 36 3.475 -0.862 5.174 1.00 64.11 H new ATOM 545 N VAL A 37 -0.848 0.858 6.101 1.00 3.33 N ATOM 546 CA VAL A 37 -2.241 1.270 6.234 1.00 65.03 C ATOM 547 C VAL A 37 -2.364 2.412 7.242 1.00 53.15 C ATOM 548 O VAL A 37 -3.186 3.303 7.039 1.00 43.44 O ATOM 549 CB VAL A 37 -3.109 0.055 6.618 1.00 24.22 C ATOM 550 CG1 VAL A 37 -4.561 0.422 6.943 1.00 50.52 C ATOM 551 CG2 VAL A 37 -3.110 -0.970 5.480 1.00 2.15 C ATOM 0 H VAL A 37 -0.647 -0.054 6.512 1.00 3.33 H new ATOM 0 HA VAL A 37 -2.605 1.648 5.279 1.00 65.03 H new ATOM 0 HB VAL A 37 -2.663 -0.360 7.522 1.00 24.22 H new ATOM 0 HG11 VAL A 37 -5.114 -0.480 7.205 1.00 50.52 H new ATOM 0 HG12 VAL A 37 -4.581 1.117 7.783 1.00 50.52 H new ATOM 0 HG13 VAL A 37 -5.021 0.891 6.073 1.00 50.52 H new ATOM 0 HG21 VAL A 37 -3.726 -1.825 5.761 1.00 2.15 H new ATOM 0 HG22 VAL A 37 -3.515 -0.512 4.578 1.00 2.15 H new ATOM 0 HG23 VAL A 37 -2.090 -1.304 5.291 1.00 2.15 H new ATOM 704 N ASP A 48 3.625 11.163 3.128 1.00 4.23 N ATOM 705 CA ASP A 48 4.395 10.269 4.002 1.00 24.12 C ATOM 706 C ASP A 48 4.273 8.824 3.539 1.00 4.53 C ATOM 707 O ASP A 48 5.278 8.121 3.537 1.00 14.01 O ATOM 708 CB ASP A 48 4.085 10.414 5.502 1.00 25.40 C ATOM 709 CG ASP A 48 5.048 9.539 6.326 1.00 5.43 C ATOM 710 OD1 ASP A 48 6.185 10.016 6.568 1.00 73.32 O ATOM 711 OD2 ASP A 48 4.705 8.414 6.748 1.00 34.40 O ATOM 0 HA ASP A 48 5.433 10.586 3.905 1.00 24.12 H new ATOM 0 HB2 ASP A 48 4.181 11.457 5.802 1.00 25.40 H new ATOM 0 HB3 ASP A 48 3.054 10.119 5.699 1.00 25.40 H new ATOM 716 N VAL A 49 3.110 8.425 3.009 1.00 10.30 N ATOM 717 CA VAL A 49 2.877 7.103 2.426 1.00 31.20 C ATOM 718 C VAL A 49 4.009 6.733 1.464 1.00 45.41 C ATOM 719 O VAL A 49 4.603 5.661 1.617 1.00 1.12 O ATOM 720 CB VAL A 49 1.489 7.050 1.747 1.00 25.00 C ATOM 721 CG1 VAL A 49 1.217 5.742 0.999 1.00 21.12 C ATOM 722 CG2 VAL A 49 0.362 7.260 2.763 1.00 34.30 C ATOM 0 H VAL A 49 2.288 9.028 2.974 1.00 10.30 H new ATOM 0 HA VAL A 49 2.876 6.358 3.221 1.00 31.20 H new ATOM 0 HB VAL A 49 1.508 7.860 1.018 1.00 25.00 H new ATOM 0 HG11 VAL A 49 0.225 5.780 0.549 1.00 21.12 H new ATOM 0 HG12 VAL A 49 1.965 5.608 0.217 1.00 21.12 H new ATOM 0 HG13 VAL A 49 1.268 4.906 1.697 1.00 21.12 H new ATOM 0 HG21 VAL A 49 -0.600 7.217 2.253 1.00 34.30 H new ATOM 0 HG22 VAL A 49 0.406 6.479 3.522 1.00 34.30 H new ATOM 0 HG23 VAL A 49 0.477 8.234 3.238 1.00 34.30 H new ATOM 732 N MET A 50 4.331 7.598 0.490 1.00 4.24 N ATOM 733 CA MET A 50 5.361 7.247 -0.477 1.00 44.32 C ATOM 734 C MET A 50 6.732 7.108 0.193 1.00 43.42 C ATOM 735 O MET A 50 7.498 6.231 -0.200 1.00 13.05 O ATOM 736 CB MET A 50 5.468 8.233 -1.648 1.00 34.40 C ATOM 737 CG MET A 50 4.190 8.574 -2.428 1.00 51.44 C ATOM 738 SD MET A 50 2.857 7.341 -2.607 1.00 52.12 S ATOM 739 CE MET A 50 3.689 6.036 -3.547 1.00 12.23 C ATOM 0 H MET A 50 3.904 8.515 0.359 1.00 4.24 H new ATOM 0 HA MET A 50 5.050 6.286 -0.887 1.00 44.32 H new ATOM 0 HB2 MET A 50 5.881 9.165 -1.262 1.00 34.40 H new ATOM 0 HB3 MET A 50 6.193 7.832 -2.356 1.00 34.40 H new ATOM 0 HG2 MET A 50 3.752 9.455 -1.959 1.00 51.44 H new ATOM 0 HG3 MET A 50 4.495 8.866 -3.433 1.00 51.44 H new ATOM 0 HE1 MET A 50 2.949 5.458 -4.101 1.00 12.23 H new ATOM 0 HE2 MET A 50 4.395 6.485 -4.245 1.00 12.23 H new ATOM 0 HE3 MET A 50 4.224 5.379 -2.862 1.00 12.23 H new ATOM 749 N ARG A 51 7.085 7.943 1.179 1.00 72.30 N ATOM 750 CA ARG A 51 8.375 7.820 1.847 1.00 42.10 C ATOM 751 C ARG A 51 8.432 6.577 2.718 1.00 31.34 C ATOM 752 O ARG A 51 9.450 5.887 2.682 1.00 21.11 O ATOM 753 CB ARG A 51 8.679 9.069 2.680 1.00 12.43 C ATOM 754 CG ARG A 51 9.472 10.111 1.874 1.00 74.41 C ATOM 755 CD ARG A 51 10.574 10.762 2.710 1.00 62.22 C ATOM 756 NE ARG A 51 10.023 11.522 3.837 1.00 63.43 N ATOM 757 CZ ARG A 51 10.697 12.003 4.879 1.00 63.10 C ATOM 758 NH1 ARG A 51 12.001 11.790 4.985 1.00 2.45 N ATOM 759 NH2 ARG A 51 10.070 12.710 5.806 1.00 43.32 N ATOM 0 H ARG A 51 6.498 8.702 1.525 1.00 72.30 H new ATOM 0 HA ARG A 51 9.137 7.724 1.073 1.00 42.10 H new ATOM 0 HB2 ARG A 51 7.745 9.511 3.027 1.00 12.43 H new ATOM 0 HB3 ARG A 51 9.246 8.786 3.567 1.00 12.43 H new ATOM 0 HG2 ARG A 51 9.914 9.633 1.000 1.00 74.41 H new ATOM 0 HG3 ARG A 51 8.792 10.880 1.508 1.00 74.41 H new ATOM 0 HD2 ARG A 51 11.249 9.993 3.085 1.00 62.22 H new ATOM 0 HD3 ARG A 51 11.166 11.425 2.079 1.00 62.22 H new ATOM 0 HE ARG A 51 9.019 11.700 3.820 1.00 63.43 H new ATOM 0 HH11 ARG A 51 12.491 11.256 4.267 1.00 2.45 H new ATOM 0 HH12 ARG A 51 12.515 12.160 5.785 1.00 2.45 H new ATOM 0 HH21 ARG A 51 9.069 12.887 5.722 1.00 43.32 H new ATOM 0 HH22 ARG A 51 10.588 13.078 6.604 1.00 43.32 H new ATOM 773 N LYS A 52 7.363 6.283 3.463 1.00 14.33 N ATOM 774 CA LYS A 52 7.243 5.121 4.332 1.00 63.53 C ATOM 775 C LYS A 52 7.679 3.891 3.559 1.00 23.42 C ATOM 776 O LYS A 52 8.426 3.081 4.094 1.00 5.34 O ATOM 777 CB LYS A 52 5.793 5.004 4.859 1.00 44.42 C ATOM 778 CG LYS A 52 5.638 4.106 6.098 1.00 31.22 C ATOM 779 CD LYS A 52 5.703 2.582 5.885 1.00 11.53 C ATOM 780 CE LYS A 52 6.518 1.860 6.972 1.00 1.44 C ATOM 781 NZ LYS A 52 7.957 2.234 6.986 1.00 74.10 N ATOM 0 H LYS A 52 6.530 6.872 3.474 1.00 14.33 H new ATOM 0 HA LYS A 52 7.889 5.222 5.204 1.00 63.53 H new ATOM 0 HB2 LYS A 52 5.425 6.001 5.100 1.00 44.42 H new ATOM 0 HB3 LYS A 52 5.160 4.615 4.062 1.00 44.42 H new ATOM 0 HG2 LYS A 52 6.416 4.379 6.811 1.00 31.22 H new ATOM 0 HG3 LYS A 52 4.681 4.340 6.565 1.00 31.22 H new ATOM 0 HD2 LYS A 52 4.690 2.179 5.869 1.00 11.53 H new ATOM 0 HD3 LYS A 52 6.144 2.375 4.910 1.00 11.53 H new ATOM 0 HE2 LYS A 52 6.084 2.082 7.947 1.00 1.44 H new ATOM 0 HE3 LYS A 52 6.433 0.784 6.823 1.00 1.44 H new ATOM 0 HZ1 LYS A 52 8.526 1.414 7.278 1.00 74.10 H new ATOM 0 HZ2 LYS A 52 8.247 2.535 6.034 1.00 74.10 H new ATOM 0 HZ3 LYS A 52 8.106 3.015 7.657 1.00 74.10 H new ATOM 795 N VAL A 53 7.198 3.738 2.329 1.00 12.32 N ATOM 796 CA VAL A 53 7.405 2.542 1.536 1.00 10.11 C ATOM 797 C VAL A 53 8.701 2.614 0.711 1.00 5.23 C ATOM 798 O VAL A 53 9.294 1.574 0.413 1.00 63.21 O ATOM 799 CB VAL A 53 6.121 2.357 0.700 1.00 70.44 C ATOM 800 CG1 VAL A 53 5.979 3.326 -0.483 1.00 2.15 C ATOM 801 CG2 VAL A 53 5.930 0.920 0.271 1.00 10.15 C ATOM 0 H VAL A 53 6.647 4.453 1.854 1.00 12.32 H new ATOM 0 HA VAL A 53 7.560 1.661 2.159 1.00 10.11 H new ATOM 0 HB VAL A 53 5.310 2.621 1.378 1.00 70.44 H new ATOM 0 HG11 VAL A 53 5.048 3.121 -1.011 1.00 2.15 H new ATOM 0 HG12 VAL A 53 5.969 4.352 -0.114 1.00 2.15 H new ATOM 0 HG13 VAL A 53 6.819 3.194 -1.164 1.00 2.15 H new ATOM 0 HG21 VAL A 53 5.015 0.834 -0.315 1.00 10.15 H new ATOM 0 HG22 VAL A 53 6.780 0.605 -0.335 1.00 10.15 H new ATOM 0 HG23 VAL A 53 5.857 0.284 1.153 1.00 10.15 H new ATOM 811 N LEU A 54 9.159 3.805 0.312 1.00 42.23 N ATOM 812 CA LEU A 54 10.358 3.951 -0.514 1.00 24.44 C ATOM 813 C LEU A 54 11.629 3.781 0.311 1.00 43.31 C ATOM 814 O LEU A 54 12.587 3.180 -0.180 1.00 71.22 O ATOM 815 CB LEU A 54 10.380 5.318 -1.205 1.00 33.45 C ATOM 816 CG LEU A 54 9.539 5.381 -2.491 1.00 23.21 C ATOM 817 CD1 LEU A 54 9.381 6.851 -2.873 1.00 30.24 C ATOM 818 CD2 LEU A 54 10.191 4.636 -3.666 1.00 13.01 C ATOM 0 H LEU A 54 8.711 4.689 0.552 1.00 42.23 H new ATOM 0 HA LEU A 54 10.325 3.165 -1.269 1.00 24.44 H new ATOM 0 HB2 LEU A 54 10.016 6.072 -0.507 1.00 33.45 H new ATOM 0 HB3 LEU A 54 11.412 5.576 -1.444 1.00 33.45 H new ATOM 0 HG LEU A 54 8.581 4.899 -2.294 1.00 23.21 H new ATOM 0 HD11 LEU A 54 8.787 6.928 -3.784 1.00 30.24 H new ATOM 0 HD12 LEU A 54 8.879 7.385 -2.066 1.00 30.24 H new ATOM 0 HD13 LEU A 54 10.364 7.291 -3.042 1.00 30.24 H new ATOM 0 HD21 LEU A 54 9.553 4.715 -4.546 1.00 13.01 H new ATOM 0 HD22 LEU A 54 11.163 5.078 -3.883 1.00 13.01 H new ATOM 0 HD23 LEU A 54 10.320 3.586 -3.404 1.00 13.01 H new ATOM 830 N GLY A 55 11.660 4.299 1.542 1.00 54.02 N ATOM 831 CA GLY A 55 12.784 4.088 2.446 1.00 33.35 C ATOM 832 C GLY A 55 12.897 2.610 2.814 1.00 3.01 C ATOM 833 O GLY A 55 13.995 2.083 2.964 1.00 3.01 O ATOM 0 H GLY A 55 10.912 4.871 1.933 1.00 54.02 H new ATOM 0 HA2 GLY A 55 13.707 4.424 1.974 1.00 33.35 H new ATOM 0 HA3 GLY A 55 12.651 4.685 3.348 1.00 33.35 H new ATOM 837 N ASP A 56 11.761 1.916 2.910 1.00 21.12 N ATOM 838 CA ASP A 56 11.708 0.487 3.211 1.00 42.12 C ATOM 839 C ASP A 56 12.309 -0.321 2.058 1.00 41.11 C ATOM 840 O ASP A 56 13.060 -1.273 2.279 1.00 62.43 O ATOM 841 CB ASP A 56 10.252 0.068 3.472 1.00 65.20 C ATOM 842 CG ASP A 56 9.703 0.516 4.827 1.00 4.22 C ATOM 843 OD1 ASP A 56 10.366 1.277 5.561 1.00 21.41 O ATOM 844 OD2 ASP A 56 8.546 0.158 5.144 1.00 50.30 O ATOM 0 H ASP A 56 10.841 2.337 2.779 1.00 21.12 H new ATOM 0 HA ASP A 56 12.296 0.286 4.107 1.00 42.12 H new ATOM 0 HB2 ASP A 56 9.621 0.478 2.684 1.00 65.20 H new ATOM 0 HB3 ASP A 56 10.181 -1.018 3.405 1.00 65.20 H new ATOM 849 N LEU A 57 12.024 0.061 0.806 1.00 14.01 N ATOM 850 CA LEU A 57 12.689 -0.545 -0.345 1.00 31.22 C ATOM 851 C LEU A 57 14.176 -0.227 -0.352 1.00 13.44 C ATOM 852 O LEU A 57 14.940 -1.073 -0.802 1.00 42.21 O ATOM 853 CB LEU A 57 12.101 -0.077 -1.678 1.00 63.23 C ATOM 854 CG LEU A 57 10.802 -0.768 -2.101 1.00 70.23 C ATOM 855 CD1 LEU A 57 10.356 -0.099 -3.407 1.00 51.20 C ATOM 856 CD2 LEU A 57 10.930 -2.260 -2.422 1.00 32.24 C ATOM 0 H LEU A 57 11.342 0.782 0.570 1.00 14.01 H new ATOM 0 HA LEU A 57 12.529 -1.618 -0.244 1.00 31.22 H new ATOM 0 HB2 LEU A 57 11.919 0.996 -1.619 1.00 63.23 H new ATOM 0 HB3 LEU A 57 12.846 -0.232 -2.459 1.00 63.23 H new ATOM 0 HG LEU A 57 10.115 -0.675 -1.260 1.00 70.23 H new ATOM 0 HD11 LEU A 57 9.430 -0.557 -3.753 1.00 51.20 H new ATOM 0 HD12 LEU A 57 10.192 0.965 -3.233 1.00 51.20 H new ATOM 0 HD13 LEU A 57 11.129 -0.228 -4.164 1.00 51.20 H new ATOM 0 HD21 LEU A 57 9.956 -2.655 -2.711 1.00 32.24 H new ATOM 0 HD22 LEU A 57 11.634 -2.397 -3.242 1.00 32.24 H new ATOM 0 HD23 LEU A 57 11.291 -2.792 -1.542 1.00 32.24 H new ATOM 868 N ASP A 58 14.601 0.942 0.125 1.00 14.33 N ATOM 869 CA ASP A 58 16.008 1.350 0.248 1.00 42.02 C ATOM 870 C ASP A 58 16.717 1.548 -1.098 1.00 72.41 C ATOM 871 O ASP A 58 17.911 1.841 -1.124 1.00 74.54 O ATOM 872 CB ASP A 58 16.783 0.344 1.116 1.00 62.30 C ATOM 873 CG ASP A 58 18.099 0.905 1.652 1.00 33.52 C ATOM 874 OD1 ASP A 58 18.040 1.882 2.431 1.00 5.42 O ATOM 875 OD2 ASP A 58 19.143 0.240 1.499 1.00 24.42 O ATOM 0 H ASP A 58 13.954 1.661 0.450 1.00 14.33 H new ATOM 0 HA ASP A 58 15.997 2.327 0.731 1.00 42.02 H new ATOM 0 HB2 ASP A 58 16.157 0.038 1.954 1.00 62.30 H new ATOM 0 HB3 ASP A 58 16.989 -0.551 0.529 1.00 62.30 H new ATOM 880 N GLY A 59 16.002 1.394 -2.216 1.00 3.01 N ATOM 881 CA GLY A 59 16.555 1.297 -3.564 1.00 25.53 C ATOM 882 C GLY A 59 16.365 -0.089 -4.193 1.00 44.20 C ATOM 883 O GLY A 59 17.067 -0.418 -5.148 1.00 52.43 O ATOM 0 H GLY A 59 14.984 1.331 -2.203 1.00 3.01 H new ATOM 0 HA2 GLY A 59 16.082 2.046 -4.199 1.00 25.53 H new ATOM 0 HA3 GLY A 59 17.619 1.532 -3.532 1.00 25.53 H new ATOM 887 N LYS A 60 15.478 -0.941 -3.659 1.00 41.43 N ATOM 888 CA LYS A 60 15.195 -2.269 -4.202 1.00 31.15 C ATOM 889 C LYS A 60 14.485 -2.244 -5.554 1.00 32.14 C ATOM 890 O LYS A 60 14.590 -3.234 -6.282 1.00 42.44 O ATOM 891 CB LYS A 60 14.343 -3.078 -3.223 1.00 10.01 C ATOM 892 CG LYS A 60 15.129 -4.086 -2.379 1.00 25.13 C ATOM 893 CD LYS A 60 14.162 -5.092 -1.739 1.00 43.01 C ATOM 894 CE LYS A 60 14.885 -6.144 -0.894 1.00 54.22 C ATOM 895 NZ LYS A 60 15.338 -5.597 0.401 1.00 70.34 N ATOM 0 H LYS A 60 14.932 -0.720 -2.826 1.00 41.43 H new ATOM 0 HA LYS A 60 16.169 -2.734 -4.350 1.00 31.15 H new ATOM 0 HB2 LYS A 60 13.827 -2.389 -2.555 1.00 10.01 H new ATOM 0 HB3 LYS A 60 13.577 -3.613 -3.784 1.00 10.01 H new ATOM 0 HG2 LYS A 60 15.854 -4.610 -3.002 1.00 25.13 H new ATOM 0 HG3 LYS A 60 15.692 -3.565 -1.605 1.00 25.13 H new ATOM 0 HD2 LYS A 60 13.447 -4.557 -1.114 1.00 43.01 H new ATOM 0 HD3 LYS A 60 13.590 -5.590 -2.522 1.00 43.01 H new ATOM 0 HE2 LYS A 60 14.218 -6.988 -0.718 1.00 54.22 H new ATOM 0 HE3 LYS A 60 15.743 -6.526 -1.447 1.00 54.22 H new ATOM 0 HZ1 LYS A 60 15.426 -6.369 1.092 1.00 70.34 H new ATOM 0 HZ2 LYS A 60 16.261 -5.134 0.279 1.00 70.34 H new ATOM 0 HZ3 LYS A 60 14.646 -4.902 0.745 1.00 70.34 H new ATOM 909 N ARG A 61 13.657 -1.234 -5.832 1.00 5.04 N ATOM 910 CA ARG A 61 12.924 -1.110 -7.091 1.00 44.20 C ATOM 911 C ARG A 61 12.834 0.370 -7.458 1.00 30.41 C ATOM 912 O ARG A 61 12.822 1.206 -6.549 1.00 43.24 O ATOM 913 CB ARG A 61 11.512 -1.737 -7.005 1.00 52.42 C ATOM 914 CG ARG A 61 11.458 -3.272 -7.074 1.00 43.41 C ATOM 915 CD ARG A 61 12.007 -3.814 -8.398 1.00 74.50 C ATOM 916 NE ARG A 61 11.853 -5.275 -8.507 1.00 50.30 N ATOM 917 CZ ARG A 61 11.363 -5.967 -9.543 1.00 52.30 C ATOM 918 NH1 ARG A 61 10.809 -5.371 -10.595 1.00 22.24 N ATOM 919 NH2 ARG A 61 11.456 -7.291 -9.506 1.00 62.10 N ATOM 0 H ARG A 61 13.476 -0.471 -5.180 1.00 5.04 H new ATOM 0 HA ARG A 61 13.462 -1.658 -7.865 1.00 44.20 H new ATOM 0 HB2 ARG A 61 11.049 -1.417 -6.071 1.00 52.42 H new ATOM 0 HB3 ARG A 61 10.906 -1.334 -7.816 1.00 52.42 H new ATOM 0 HG2 ARG A 61 12.031 -3.691 -6.247 1.00 43.41 H new ATOM 0 HG3 ARG A 61 10.427 -3.603 -6.948 1.00 43.41 H new ATOM 0 HD2 ARG A 61 11.490 -3.333 -9.228 1.00 74.50 H new ATOM 0 HD3 ARG A 61 13.062 -3.554 -8.486 1.00 74.50 H new ATOM 0 HE ARG A 61 12.154 -5.822 -7.701 1.00 50.30 H new ATOM 0 HH11 ARG A 61 10.747 -4.354 -10.631 1.00 22.24 H new ATOM 0 HH12 ARG A 61 10.446 -5.931 -11.366 1.00 22.24 H new ATOM 0 HH21 ARG A 61 11.890 -7.750 -8.705 1.00 62.10 H new ATOM 0 HH22 ARG A 61 11.093 -7.850 -10.278 1.00 62.10 H new ATOM 933 N PRO A 62 12.701 0.702 -8.751 1.00 12.23 N ATOM 934 CA PRO A 62 12.586 2.080 -9.199 1.00 23.53 C ATOM 935 C PRO A 62 11.286 2.692 -8.706 1.00 3.12 C ATOM 936 O PRO A 62 10.250 2.024 -8.698 1.00 73.53 O ATOM 937 CB PRO A 62 12.588 2.034 -10.727 1.00 3.12 C ATOM 938 CG PRO A 62 12.241 0.591 -11.073 1.00 54.00 C ATOM 939 CD PRO A 62 12.687 -0.218 -9.874 1.00 41.00 C ATOM 0 HA PRO A 62 13.404 2.687 -8.812 1.00 23.53 H new ATOM 0 HB2 PRO A 62 11.858 2.727 -11.145 1.00 3.12 H new ATOM 0 HB3 PRO A 62 13.561 2.314 -11.130 1.00 3.12 H new ATOM 0 HG2 PRO A 62 11.172 0.474 -11.252 1.00 54.00 H new ATOM 0 HG3 PRO A 62 12.753 0.268 -11.979 1.00 54.00 H new ATOM 0 HD2 PRO A 62 12.006 -1.049 -9.689 1.00 41.00 H new ATOM 0 HD3 PRO A 62 13.675 -0.647 -10.039 1.00 41.00 H new ATOM 947 N GLU A 63 11.310 3.992 -8.400 1.00 31.42 N ATOM 948 CA GLU A 63 10.113 4.722 -8.006 1.00 33.42 C ATOM 949 C GLU A 63 9.013 4.564 -9.061 1.00 5.22 C ATOM 950 O GLU A 63 7.867 4.348 -8.678 1.00 44.22 O ATOM 951 CB GLU A 63 10.440 6.197 -7.721 1.00 4.33 C ATOM 952 CG GLU A 63 9.165 6.983 -7.372 1.00 44.13 C ATOM 953 CD GLU A 63 9.407 8.433 -6.956 1.00 62.12 C ATOM 954 OE1 GLU A 63 9.566 8.709 -5.740 1.00 71.34 O ATOM 955 OE2 GLU A 63 9.243 9.318 -7.825 1.00 74.12 O ATOM 0 H GLU A 63 12.157 4.561 -8.420 1.00 31.42 H new ATOM 0 HA GLU A 63 9.733 4.296 -7.078 1.00 33.42 H new ATOM 0 HB2 GLU A 63 11.150 6.264 -6.897 1.00 4.33 H new ATOM 0 HB3 GLU A 63 10.920 6.642 -8.592 1.00 4.33 H new ATOM 0 HG2 GLU A 63 8.499 6.972 -8.235 1.00 44.13 H new ATOM 0 HG3 GLU A 63 8.646 6.468 -6.563 1.00 44.13 H new ATOM 962 N ALA A 64 9.340 4.617 -10.358 1.00 63.44 N ATOM 963 CA ALA A 64 8.354 4.472 -11.431 1.00 25.11 C ATOM 964 C ALA A 64 7.484 3.222 -11.251 1.00 5.44 C ATOM 965 O ALA A 64 6.256 3.299 -11.393 1.00 72.12 O ATOM 966 CB ALA A 64 9.048 4.432 -12.797 1.00 32.32 C ATOM 0 H ALA A 64 10.293 4.761 -10.691 1.00 63.44 H new ATOM 0 HA ALA A 64 7.699 5.342 -11.383 1.00 25.11 H new ATOM 0 HB1 ALA A 64 8.300 4.324 -13.582 1.00 32.32 H new ATOM 0 HB2 ALA A 64 9.604 5.357 -12.950 1.00 32.32 H new ATOM 0 HB3 ALA A 64 9.735 3.586 -12.832 1.00 32.32 H new ATOM 972 N GLU A 65 8.098 2.076 -10.943 1.00 74.11 N ATOM 973 CA GLU A 65 7.378 0.838 -10.691 1.00 12.15 C ATOM 974 C GLU A 65 6.451 0.996 -9.475 1.00 1.03 C ATOM 975 O GLU A 65 5.263 0.682 -9.549 1.00 73.40 O ATOM 976 CB GLU A 65 8.407 -0.293 -10.550 1.00 23.53 C ATOM 977 CG GLU A 65 7.711 -1.648 -10.451 1.00 54.14 C ATOM 978 CD GLU A 65 8.603 -2.853 -10.767 1.00 14.12 C ATOM 979 OE1 GLU A 65 9.852 -2.754 -10.812 1.00 32.31 O ATOM 980 OE2 GLU A 65 8.015 -3.944 -10.942 1.00 30.22 O ATOM 0 H GLU A 65 9.111 1.987 -10.863 1.00 74.11 H new ATOM 0 HA GLU A 65 6.720 0.583 -11.522 1.00 12.15 H new ATOM 0 HB2 GLU A 65 9.081 -0.287 -11.407 1.00 23.53 H new ATOM 0 HB3 GLU A 65 9.018 -0.127 -9.663 1.00 23.53 H new ATOM 0 HG2 GLU A 65 7.312 -1.763 -9.443 1.00 54.14 H new ATOM 0 HG3 GLU A 65 6.861 -1.655 -11.133 1.00 54.14 H new ATOM 987 N VAL A 66 6.972 1.547 -8.377 1.00 45.13 N ATOM 988 CA VAL A 66 6.251 1.762 -7.124 1.00 45.34 C ATOM 989 C VAL A 66 5.021 2.659 -7.344 1.00 23.42 C ATOM 990 O VAL A 66 3.918 2.292 -6.925 1.00 11.34 O ATOM 991 CB VAL A 66 7.220 2.337 -6.062 1.00 71.14 C ATOM 992 CG1 VAL A 66 6.559 2.477 -4.687 1.00 21.23 C ATOM 993 CG2 VAL A 66 8.465 1.453 -5.874 1.00 71.23 C ATOM 0 H VAL A 66 7.940 1.866 -8.336 1.00 45.13 H new ATOM 0 HA VAL A 66 5.874 0.809 -6.753 1.00 45.34 H new ATOM 0 HB VAL A 66 7.504 3.317 -6.445 1.00 71.14 H new ATOM 0 HG11 VAL A 66 7.279 2.884 -3.977 1.00 21.23 H new ATOM 0 HG12 VAL A 66 5.703 3.148 -4.761 1.00 21.23 H new ATOM 0 HG13 VAL A 66 6.224 1.498 -4.343 1.00 21.23 H new ATOM 0 HG21 VAL A 66 9.115 1.896 -5.120 1.00 71.23 H new ATOM 0 HG22 VAL A 66 8.159 0.458 -5.550 1.00 71.23 H new ATOM 0 HG23 VAL A 66 9.004 1.378 -6.819 1.00 71.23 H new ATOM 1003 N ARG A 67 5.173 3.822 -7.996 1.00 72.32 N ATOM 1004 CA ARG A 67 4.061 4.769 -8.159 1.00 14.12 C ATOM 1005 C ARG A 67 2.948 4.101 -8.944 1.00 5.35 C ATOM 1006 O ARG A 67 1.787 4.189 -8.552 1.00 63.41 O ATOM 1007 CB ARG A 67 4.442 6.096 -8.853 1.00 72.41 C ATOM 1008 CG ARG A 67 5.832 6.634 -8.511 1.00 5.45 C ATOM 1009 CD ARG A 67 5.955 8.164 -8.511 1.00 31.43 C ATOM 1010 NE ARG A 67 5.371 8.813 -7.323 1.00 21.54 N ATOM 1011 CZ ARG A 67 5.638 10.077 -6.961 1.00 41.34 C ATOM 1012 NH1 ARG A 67 6.780 10.653 -7.322 1.00 13.04 N ATOM 1013 NH2 ARG A 67 4.778 10.752 -6.208 1.00 51.34 N ATOM 0 H ARG A 67 6.051 4.128 -8.417 1.00 72.32 H new ATOM 0 HA ARG A 67 3.743 5.035 -7.151 1.00 14.12 H new ATOM 0 HB2 ARG A 67 4.380 5.954 -9.932 1.00 72.41 H new ATOM 0 HB3 ARG A 67 3.702 6.851 -8.588 1.00 72.41 H new ATOM 0 HG2 ARG A 67 6.117 6.262 -7.527 1.00 5.45 H new ATOM 0 HG3 ARG A 67 6.548 6.227 -9.225 1.00 5.45 H new ATOM 0 HD2 ARG A 67 7.009 8.433 -8.578 1.00 31.43 H new ATOM 0 HD3 ARG A 67 5.468 8.557 -9.403 1.00 31.43 H new ATOM 0 HE ARG A 67 4.729 8.271 -6.745 1.00 21.54 H new ATOM 0 HH11 ARG A 67 7.460 10.134 -7.878 1.00 13.04 H new ATOM 0 HH12 ARG A 67 6.977 11.614 -7.043 1.00 13.04 H new ATOM 0 HH21 ARG A 67 3.911 10.310 -5.903 1.00 51.34 H new ATOM 0 HH22 ARG A 67 4.984 11.713 -5.935 1.00 51.34 H new ATOM 1027 N ALA A 68 3.317 3.436 -10.041 1.00 22.33 N ATOM 1028 CA ALA A 68 2.354 2.734 -10.881 1.00 70.14 C ATOM 1029 C ALA A 68 1.597 1.694 -10.064 1.00 14.13 C ATOM 1030 O ALA A 68 0.369 1.660 -10.135 1.00 12.31 O ATOM 1031 CB ALA A 68 3.026 2.067 -12.082 1.00 63.30 C ATOM 0 H ALA A 68 4.282 3.371 -10.366 1.00 22.33 H new ATOM 0 HA ALA A 68 1.652 3.476 -11.262 1.00 70.14 H new ATOM 0 HB1 ALA A 68 2.274 1.555 -12.682 1.00 63.30 H new ATOM 0 HB2 ALA A 68 3.520 2.825 -12.690 1.00 63.30 H new ATOM 0 HB3 ALA A 68 3.764 1.345 -11.732 1.00 63.30 H new ATOM 1037 N LYS A 69 2.310 0.879 -9.276 1.00 70.50 N ATOM 1038 CA LYS A 69 1.699 -0.126 -8.416 1.00 11.15 C ATOM 1039 C LYS A 69 0.638 0.533 -7.537 1.00 12.15 C ATOM 1040 O LYS A 69 -0.502 0.074 -7.530 1.00 72.21 O ATOM 1041 CB LYS A 69 2.779 -0.852 -7.595 1.00 64.51 C ATOM 1042 CG LYS A 69 2.292 -2.212 -7.070 1.00 41.40 C ATOM 1043 CD LYS A 69 2.554 -3.340 -8.078 1.00 53.21 C ATOM 1044 CE LYS A 69 2.028 -4.680 -7.549 1.00 51.22 C ATOM 1045 NZ LYS A 69 0.653 -4.966 -8.000 1.00 51.02 N ATOM 0 H LYS A 69 3.328 0.903 -9.221 1.00 70.50 H new ATOM 0 HA LYS A 69 1.201 -0.884 -9.021 1.00 11.15 H new ATOM 0 HB2 LYS A 69 3.665 -0.999 -8.213 1.00 64.51 H new ATOM 0 HB3 LYS A 69 3.077 -0.225 -6.754 1.00 64.51 H new ATOM 0 HG2 LYS A 69 2.795 -2.440 -6.130 1.00 41.40 H new ATOM 0 HG3 LYS A 69 1.225 -2.157 -6.855 1.00 41.40 H new ATOM 0 HD2 LYS A 69 2.072 -3.105 -9.027 1.00 53.21 H new ATOM 0 HD3 LYS A 69 3.623 -3.417 -8.274 1.00 53.21 H new ATOM 0 HE2 LYS A 69 2.689 -5.482 -7.879 1.00 51.22 H new ATOM 0 HE3 LYS A 69 2.055 -4.672 -6.459 1.00 51.22 H new ATOM 0 HZ1 LYS A 69 0.345 -5.882 -7.615 1.00 51.02 H new ATOM 0 HZ2 LYS A 69 0.015 -4.217 -7.664 1.00 51.02 H new ATOM 0 HZ3 LYS A 69 0.629 -5.001 -9.039 1.00 51.02 H new ATOM 1059 N TYR A 70 0.980 1.613 -6.824 1.00 74.51 N ATOM 1060 CA TYR A 70 0.069 2.272 -5.892 1.00 10.24 C ATOM 1061 C TYR A 70 -1.123 2.916 -6.606 1.00 30.44 C ATOM 1062 O TYR A 70 -2.274 2.670 -6.242 1.00 22.44 O ATOM 1063 CB TYR A 70 0.821 3.312 -5.046 1.00 63.50 C ATOM 1064 CG TYR A 70 0.017 3.840 -3.869 1.00 33.53 C ATOM 1065 CD1 TYR A 70 -0.439 2.943 -2.882 1.00 30.00 C ATOM 1066 CD2 TYR A 70 -0.260 5.216 -3.739 1.00 50.43 C ATOM 1067 CE1 TYR A 70 -1.175 3.414 -1.783 1.00 5.42 C ATOM 1068 CE2 TYR A 70 -0.989 5.697 -2.633 1.00 34.13 C ATOM 1069 CZ TYR A 70 -1.458 4.791 -1.655 1.00 30.23 C ATOM 1070 OH TYR A 70 -2.264 5.187 -0.635 1.00 11.10 O ATOM 0 H TYR A 70 1.899 2.052 -6.880 1.00 74.51 H new ATOM 0 HA TYR A 70 -0.330 1.502 -5.232 1.00 10.24 H new ATOM 0 HB2 TYR A 70 1.743 2.866 -4.674 1.00 63.50 H new ATOM 0 HB3 TYR A 70 1.106 4.148 -5.684 1.00 63.50 H new ATOM 0 HD1 TYR A 70 -0.221 1.889 -2.971 1.00 30.00 H new ATOM 0 HD2 TYR A 70 0.089 5.907 -4.492 1.00 50.43 H new ATOM 0 HE1 TYR A 70 -1.526 2.720 -1.033 1.00 5.42 H new ATOM 0 HE2 TYR A 70 -1.188 6.754 -2.533 1.00 34.13 H new ATOM 0 HH TYR A 70 -2.374 6.160 -0.664 1.00 11.10 H new ATOM 1080 N GLU A 71 -0.880 3.743 -7.623 1.00 4.10 N ATOM 1081 CA GLU A 71 -1.946 4.510 -8.262 1.00 45.12 C ATOM 1082 C GLU A 71 -2.837 3.621 -9.143 1.00 1.24 C ATOM 1083 O GLU A 71 -4.016 3.931 -9.345 1.00 3.34 O ATOM 1084 CB GLU A 71 -1.371 5.695 -9.058 1.00 22.20 C ATOM 1085 CG GLU A 71 -0.504 6.626 -8.189 1.00 3.40 C ATOM 1086 CD GLU A 71 -0.765 8.106 -8.476 1.00 65.35 C ATOM 1087 OE1 GLU A 71 -0.226 8.642 -9.471 1.00 43.42 O ATOM 1088 OE2 GLU A 71 -1.503 8.731 -7.680 1.00 53.03 O ATOM 0 H GLU A 71 0.046 3.898 -8.021 1.00 4.10 H new ATOM 0 HA GLU A 71 -2.579 4.914 -7.472 1.00 45.12 H new ATOM 0 HB2 GLU A 71 -0.773 5.316 -9.886 1.00 22.20 H new ATOM 0 HB3 GLU A 71 -2.190 6.268 -9.493 1.00 22.20 H new ATOM 0 HG2 GLU A 71 -0.701 6.423 -7.136 1.00 3.40 H new ATOM 0 HG3 GLU A 71 0.549 6.405 -8.364 1.00 3.40 H new ATOM 1095 N GLY A 72 -2.318 2.506 -9.666 1.00 12.42 N ATOM 1096 CA GLY A 72 -3.103 1.490 -10.362 1.00 63.15 C ATOM 1097 C GLY A 72 -4.011 0.733 -9.399 1.00 32.12 C ATOM 1098 O GLY A 72 -5.087 0.257 -9.778 1.00 73.25 O ATOM 0 H GLY A 72 -1.324 2.283 -9.615 1.00 12.42 H new ATOM 0 HA2 GLY A 72 -3.706 1.962 -11.138 1.00 63.15 H new ATOM 0 HA3 GLY A 72 -2.434 0.789 -10.861 1.00 63.15 H new ATOM 1102 N LEU A 73 -3.612 0.655 -8.131 1.00 10.40 N ATOM 1103 CA LEU A 73 -4.215 -0.193 -7.128 1.00 1.34 C ATOM 1104 C LEU A 73 -5.614 0.226 -6.753 1.00 5.41 C ATOM 1105 O LEU A 73 -6.326 -0.620 -6.236 1.00 51.13 O ATOM 1106 CB LEU A 73 -3.358 -0.194 -5.852 1.00 33.13 C ATOM 1107 CG LEU A 73 -3.124 -1.560 -5.185 1.00 23.31 C ATOM 1108 CD1 LEU A 73 -2.719 -2.669 -6.169 1.00 12.13 C ATOM 1109 CD2 LEU A 73 -1.937 -1.329 -4.239 1.00 12.33 C ATOM 0 H LEU A 73 -2.832 1.204 -7.770 1.00 10.40 H new ATOM 0 HA LEU A 73 -4.269 -1.187 -7.571 1.00 1.34 H new ATOM 0 HB2 LEU A 73 -2.387 0.239 -6.092 1.00 33.13 H new ATOM 0 HB3 LEU A 73 -3.830 0.465 -5.123 1.00 33.13 H new ATOM 0 HG LEU A 73 -4.046 -1.891 -4.708 1.00 23.31 H new ATOM 0 HD11 LEU A 73 -2.572 -3.602 -5.625 1.00 12.13 H new ATOM 0 HD12 LEU A 73 -3.506 -2.802 -6.911 1.00 12.13 H new ATOM 0 HD13 LEU A 73 -1.792 -2.390 -6.670 1.00 12.13 H new ATOM 0 HD21 LEU A 73 -1.700 -2.257 -3.719 1.00 12.33 H new ATOM 0 HD22 LEU A 73 -1.070 -1.005 -4.815 1.00 12.33 H new ATOM 0 HD23 LEU A 73 -2.196 -0.561 -3.511 1.00 12.33 H new ATOM 1121 N MET A 74 -6.034 1.474 -6.983 1.00 42.45 N ATOM 1122 CA MET A 74 -7.359 1.925 -6.565 1.00 10.22 C ATOM 1123 C MET A 74 -8.433 0.969 -7.094 1.00 72.12 C ATOM 1124 O MET A 74 -9.251 0.469 -6.320 1.00 61.21 O ATOM 1125 CB MET A 74 -7.608 3.378 -6.997 1.00 51.35 C ATOM 1126 CG MET A 74 -8.937 3.883 -6.416 1.00 61.02 C ATOM 1127 SD MET A 74 -9.378 5.595 -6.802 1.00 10.34 S ATOM 1128 CE MET A 74 -8.082 6.487 -5.899 1.00 30.33 C ATOM 0 H MET A 74 -5.476 2.185 -7.455 1.00 42.45 H new ATOM 0 HA MET A 74 -7.411 1.909 -5.476 1.00 10.22 H new ATOM 0 HB2 MET A 74 -6.789 4.012 -6.656 1.00 51.35 H new ATOM 0 HB3 MET A 74 -7.630 3.443 -8.085 1.00 51.35 H new ATOM 0 HG2 MET A 74 -9.736 3.234 -6.774 1.00 61.02 H new ATOM 0 HG3 MET A 74 -8.900 3.775 -5.332 1.00 61.02 H new ATOM 0 HE1 MET A 74 -8.295 7.556 -5.918 1.00 30.33 H new ATOM 0 HE2 MET A 74 -8.054 6.141 -4.866 1.00 30.33 H new ATOM 0 HE3 MET A 74 -7.117 6.301 -6.370 1.00 30.33 H new ATOM 1138 N ALA A 75 -8.403 0.654 -8.392 1.00 42.34 N ATOM 1139 CA ALA A 75 -9.422 -0.203 -8.984 1.00 61.12 C ATOM 1140 C ALA A 75 -9.267 -1.662 -8.528 1.00 50.33 C ATOM 1141 O ALA A 75 -10.273 -2.351 -8.342 1.00 11.54 O ATOM 1142 CB ALA A 75 -9.374 -0.099 -10.509 1.00 44.35 C ATOM 0 H ALA A 75 -7.689 0.978 -9.044 1.00 42.34 H new ATOM 0 HA ALA A 75 -10.397 0.141 -8.639 1.00 61.12 H new ATOM 0 HB1 ALA A 75 -10.139 -0.743 -10.942 1.00 44.35 H new ATOM 0 HB2 ALA A 75 -9.556 0.933 -10.809 1.00 44.35 H new ATOM 0 HB3 ALA A 75 -8.392 -0.413 -10.864 1.00 44.35 H new ATOM 1148 N VAL A 76 -8.031 -2.140 -8.333 1.00 25.23 N ATOM 1149 CA VAL A 76 -7.783 -3.509 -7.870 1.00 21.30 C ATOM 1150 C VAL A 76 -8.340 -3.640 -6.448 1.00 21.34 C ATOM 1151 O VAL A 76 -9.188 -4.484 -6.164 1.00 44.51 O ATOM 1152 CB VAL A 76 -6.273 -3.835 -7.929 1.00 64.13 C ATOM 1153 CG1 VAL A 76 -5.997 -5.299 -7.559 1.00 74.30 C ATOM 1154 CG2 VAL A 76 -5.663 -3.565 -9.315 1.00 74.41 C ATOM 0 H VAL A 76 -7.184 -1.594 -8.490 1.00 25.23 H new ATOM 0 HA VAL A 76 -8.284 -4.228 -8.518 1.00 21.30 H new ATOM 0 HB VAL A 76 -5.805 -3.172 -7.202 1.00 64.13 H new ATOM 0 HG11 VAL A 76 -4.925 -5.492 -7.611 1.00 74.30 H new ATOM 0 HG12 VAL A 76 -6.351 -5.491 -6.546 1.00 74.30 H new ATOM 0 HG13 VAL A 76 -6.518 -5.955 -8.256 1.00 74.30 H new ATOM 0 HG21 VAL A 76 -4.601 -3.811 -9.299 1.00 74.41 H new ATOM 0 HG22 VAL A 76 -6.167 -4.180 -10.060 1.00 74.41 H new ATOM 0 HG23 VAL A 76 -5.788 -2.512 -9.569 1.00 74.41 H new ATOM 1164 N ALA A 77 -7.902 -2.742 -5.564 1.00 51.42 N ATOM 1165 CA ALA A 77 -8.291 -2.626 -4.177 1.00 34.41 C ATOM 1166 C ALA A 77 -9.816 -2.649 -4.071 1.00 23.12 C ATOM 1167 O ALA A 77 -10.377 -3.413 -3.288 1.00 30.30 O ATOM 1168 CB ALA A 77 -7.705 -1.337 -3.584 1.00 5.20 C ATOM 0 H ALA A 77 -7.219 -2.032 -5.827 1.00 51.42 H new ATOM 0 HA ALA A 77 -7.899 -3.468 -3.607 1.00 34.41 H new ATOM 0 HB1 ALA A 77 -7.999 -1.251 -2.538 1.00 5.20 H new ATOM 0 HB2 ALA A 77 -6.618 -1.366 -3.654 1.00 5.20 H new ATOM 0 HB3 ALA A 77 -8.081 -0.477 -4.139 1.00 5.20 H new ATOM 1174 N LYS A 78 -10.500 -1.772 -4.816 1.00 4.54 N ATOM 1175 CA LYS A 78 -11.954 -1.644 -4.782 1.00 54.31 C ATOM 1176 C LYS A 78 -12.654 -2.944 -5.147 1.00 30.24 C ATOM 1177 O LYS A 78 -13.567 -3.327 -4.415 1.00 64.25 O ATOM 1178 CB LYS A 78 -12.414 -0.519 -5.719 1.00 64.24 C ATOM 1179 CG LYS A 78 -12.252 0.875 -5.090 1.00 21.12 C ATOM 1180 CD LYS A 78 -12.801 1.961 -6.022 1.00 45.54 C ATOM 1181 CE LYS A 78 -14.332 1.949 -5.980 1.00 13.13 C ATOM 1182 NZ LYS A 78 -14.926 2.842 -6.987 1.00 32.11 N ATOM 0 H LYS A 78 -10.050 -1.126 -5.465 1.00 4.54 H new ATOM 0 HA LYS A 78 -12.231 -1.398 -3.757 1.00 54.31 H new ATOM 0 HB2 LYS A 78 -11.841 -0.565 -6.645 1.00 64.24 H new ATOM 0 HB3 LYS A 78 -13.460 -0.675 -5.983 1.00 64.24 H new ATOM 0 HG2 LYS A 78 -12.776 0.911 -4.135 1.00 21.12 H new ATOM 0 HG3 LYS A 78 -11.199 1.065 -4.883 1.00 21.12 H new ATOM 0 HD2 LYS A 78 -12.427 2.938 -5.718 1.00 45.54 H new ATOM 0 HD3 LYS A 78 -12.454 1.789 -7.041 1.00 45.54 H new ATOM 0 HE2 LYS A 78 -14.690 0.932 -6.143 1.00 13.13 H new ATOM 0 HE3 LYS A 78 -14.668 2.250 -4.988 1.00 13.13 H new ATOM 0 HZ1 LYS A 78 -15.963 2.800 -6.920 1.00 32.11 H new ATOM 0 HZ2 LYS A 78 -14.607 3.817 -6.817 1.00 32.11 H new ATOM 0 HZ3 LYS A 78 -14.628 2.541 -7.937 1.00 32.11 H new ATOM 1196 N ALA A 79 -12.243 -3.599 -6.234 1.00 4.31 N ATOM 1197 CA ALA A 79 -12.826 -4.867 -6.647 1.00 22.40 C ATOM 1198 C ALA A 79 -12.626 -5.937 -5.569 1.00 54.53 C ATOM 1199 O ALA A 79 -13.516 -6.754 -5.352 1.00 13.14 O ATOM 1200 CB ALA A 79 -12.206 -5.307 -7.975 1.00 10.13 C ATOM 0 H ALA A 79 -11.500 -3.264 -6.847 1.00 4.31 H new ATOM 0 HA ALA A 79 -13.899 -4.735 -6.784 1.00 22.40 H new ATOM 0 HB1 ALA A 79 -12.643 -6.257 -8.284 1.00 10.13 H new ATOM 0 HB2 ALA A 79 -12.403 -4.552 -8.736 1.00 10.13 H new ATOM 0 HB3 ALA A 79 -11.129 -5.426 -7.852 1.00 10.13 H new