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 14 MET CE :methyl 151:sc= -0.708 (180deg=-2.08) USER MOD Set 1.2: A 50 MET CE :methyl -105:sc= -0.22 (180deg=-1.69!) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.746 K(o=0.9,f=-9.9!) USER MOD Set 2.2: A 70 TYR OH : rot -25:sc= 0.153 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.19) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.738 K(o=0.74,f=-0.55) USER MOD Single : A 32 TYR OH : rot -30:sc= -0.0872 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.85) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.19) USER MOD Single : A 69 LYS NZ :NH3+ -151:sc= 0.0317 (180deg=0) USER MOD Single : A 74 MET CE :methyl 144:sc= 0 (180deg=-0.186) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -12.308 1.667 0.110 1.00 15.31 N ATOM 85 CA ALA A 6 -11.223 1.656 -0.845 1.00 2.43 C ATOM 86 C ALA A 6 -9.934 2.156 -0.199 1.00 61.42 C ATOM 87 O ALA A 6 -8.916 1.538 -0.491 1.00 44.34 O ATOM 88 CB ALA A 6 -11.571 2.481 -2.083 1.00 72.51 C ATOM 0 HA ALA A 6 -11.066 0.627 -1.167 1.00 2.43 H new ATOM 0 HB1 ALA A 6 -10.737 2.455 -2.784 1.00 72.51 H new ATOM 0 HB2 ALA A 6 -12.459 2.065 -2.560 1.00 72.51 H new ATOM 0 HB3 ALA A 6 -11.766 3.512 -1.790 1.00 72.51 H new ATOM 94 N GLU A 7 -9.940 3.204 0.646 1.00 1.24 N ATOM 95 CA GLU A 7 -8.680 3.779 1.173 1.00 61.44 C ATOM 96 C GLU A 7 -7.881 2.689 1.895 1.00 0.12 C ATOM 97 O GLU A 7 -6.806 2.287 1.452 1.00 53.14 O ATOM 98 CB GLU A 7 -8.948 4.974 2.114 1.00 54.22 C ATOM 99 CG GLU A 7 -8.941 6.350 1.434 1.00 0.32 C ATOM 100 CD GLU A 7 -9.724 7.401 2.240 1.00 34.24 C ATOM 101 OE1 GLU A 7 -9.377 7.688 3.416 1.00 15.31 O ATOM 102 OE2 GLU A 7 -10.715 7.942 1.705 1.00 24.12 O ATOM 0 H GLU A 7 -10.787 3.666 0.977 1.00 1.24 H new ATOM 0 HA GLU A 7 -8.098 4.157 0.333 1.00 61.44 H new ATOM 0 HB2 GLU A 7 -9.915 4.828 2.595 1.00 54.22 H new ATOM 0 HB3 GLU A 7 -8.196 4.972 2.903 1.00 54.22 H new ATOM 0 HG2 GLU A 7 -7.912 6.685 1.307 1.00 0.32 H new ATOM 0 HG3 GLU A 7 -9.373 6.263 0.437 1.00 0.32 H new ATOM 109 N ALA A 8 -8.449 2.121 2.962 1.00 1.14 N ATOM 110 CA ALA A 8 -7.749 1.135 3.781 1.00 11.22 C ATOM 111 C ALA A 8 -7.266 -0.055 2.942 1.00 14.42 C ATOM 112 O ALA A 8 -6.151 -0.548 3.129 1.00 71.13 O ATOM 113 CB ALA A 8 -8.681 0.643 4.893 1.00 64.53 C ATOM 0 H ALA A 8 -9.396 2.330 3.278 1.00 1.14 H new ATOM 0 HA ALA A 8 -6.871 1.614 4.215 1.00 11.22 H new ATOM 0 HB1 ALA A 8 -8.160 -0.093 5.505 1.00 64.53 H new ATOM 0 HB2 ALA A 8 -8.981 1.486 5.516 1.00 64.53 H new ATOM 0 HB3 ALA A 8 -9.566 0.186 4.450 1.00 64.53 H new ATOM 119 N ARG A 9 -8.098 -0.526 2.005 1.00 1.01 N ATOM 120 CA ARG A 9 -7.747 -1.676 1.185 1.00 4.12 C ATOM 121 C ARG A 9 -6.628 -1.310 0.215 1.00 75.50 C ATOM 122 O ARG A 9 -5.711 -2.107 0.069 1.00 41.33 O ATOM 123 CB ARG A 9 -9.000 -2.267 0.513 1.00 31.25 C ATOM 124 CG ARG A 9 -8.796 -3.647 -0.144 1.00 42.42 C ATOM 125 CD ARG A 9 -8.189 -4.697 0.803 1.00 64.22 C ATOM 126 NE ARG A 9 -8.453 -6.078 0.355 1.00 0.31 N ATOM 127 CZ ARG A 9 -9.428 -6.896 0.780 1.00 23.25 C ATOM 128 NH1 ARG A 9 -10.261 -6.543 1.755 1.00 31.41 N ATOM 129 NH2 ARG A 9 -9.569 -8.089 0.218 1.00 43.02 N ATOM 0 H ARG A 9 -9.014 -0.126 1.802 1.00 1.01 H new ATOM 0 HA ARG A 9 -7.350 -2.474 1.813 1.00 4.12 H new ATOM 0 HB2 ARG A 9 -9.790 -2.350 1.260 1.00 31.25 H new ATOM 0 HB3 ARG A 9 -9.351 -1.568 -0.246 1.00 31.25 H new ATOM 0 HG2 ARG A 9 -9.756 -4.011 -0.509 1.00 42.42 H new ATOM 0 HG3 ARG A 9 -8.146 -3.534 -1.012 1.00 42.42 H new ATOM 0 HD2 ARG A 9 -7.113 -4.540 0.873 1.00 64.22 H new ATOM 0 HD3 ARG A 9 -8.597 -4.558 1.804 1.00 64.22 H new ATOM 0 HE ARG A 9 -7.825 -6.452 -0.356 1.00 0.31 H new ATOM 0 HH11 ARG A 9 -10.168 -5.630 2.200 1.00 31.41 H new ATOM 0 HH12 ARG A 9 -10.993 -7.185 2.058 1.00 31.41 H new ATOM 0 HH21 ARG A 9 -8.939 -8.378 -0.531 1.00 43.02 H new ATOM 0 HH22 ARG A 9 -10.307 -8.718 0.534 1.00 43.02 H new ATOM 143 N ARG A 10 -6.648 -0.135 -0.425 1.00 55.24 N ATOM 144 CA ARG A 10 -5.589 0.347 -1.326 1.00 15.34 C ATOM 145 C ARG A 10 -4.257 0.266 -0.598 1.00 33.44 C ATOM 146 O ARG A 10 -3.313 -0.331 -1.115 1.00 42.31 O ATOM 147 CB ARG A 10 -5.953 1.772 -1.812 1.00 71.32 C ATOM 148 CG ARG A 10 -4.944 2.424 -2.774 1.00 64.10 C ATOM 149 CD ARG A 10 -4.276 3.671 -2.172 1.00 53.43 C ATOM 150 NE ARG A 10 -5.071 4.907 -2.283 1.00 61.11 N ATOM 151 CZ ARG A 10 -5.245 5.861 -1.353 1.00 1.44 C ATOM 152 NH1 ARG A 10 -5.035 5.648 -0.061 1.00 44.41 N ATOM 153 NH2 ARG A 10 -5.631 7.066 -1.755 1.00 14.11 N ATOM 0 H ARG A 10 -7.420 0.525 -0.330 1.00 55.24 H new ATOM 0 HA ARG A 10 -5.499 -0.272 -2.219 1.00 15.34 H new ATOM 0 HB2 ARG A 10 -6.924 1.731 -2.305 1.00 71.32 H new ATOM 0 HB3 ARG A 10 -6.065 2.416 -0.940 1.00 71.32 H new ATOM 0 HG2 ARG A 10 -4.176 1.696 -3.038 1.00 64.10 H new ATOM 0 HG3 ARG A 10 -5.453 2.699 -3.698 1.00 64.10 H new ATOM 0 HD2 ARG A 10 -4.067 3.482 -1.119 1.00 53.43 H new ATOM 0 HD3 ARG A 10 -3.316 3.826 -2.665 1.00 53.43 H new ATOM 0 HE ARG A 10 -5.546 5.056 -3.173 1.00 61.11 H new ATOM 0 HH11 ARG A 10 -4.729 4.730 0.261 1.00 44.41 H new ATOM 0 HH12 ARG A 10 -5.180 6.402 0.610 1.00 44.41 H new ATOM 0 HH21 ARG A 10 -5.787 7.247 -2.747 1.00 14.11 H new ATOM 0 HH22 ARG A 10 -5.771 7.811 -1.072 1.00 14.11 H new ATOM 167 N ASN A 11 -4.219 0.787 0.619 1.00 24.33 N ATOM 168 CA ASN A 11 -3.033 0.832 1.458 1.00 12.32 C ATOM 169 C ASN A 11 -2.561 -0.588 1.770 1.00 3.02 C ATOM 170 O ASN A 11 -1.416 -0.944 1.487 1.00 20.04 O ATOM 171 CB ASN A 11 -3.344 1.632 2.730 1.00 63.32 C ATOM 172 CG ASN A 11 -3.738 3.083 2.458 1.00 14.44 C ATOM 173 OD1 ASN A 11 -4.146 3.435 1.355 1.00 14.04 O ATOM 174 ND2 ASN A 11 -3.731 3.927 3.471 1.00 41.14 N ATOM 0 H ASN A 11 -5.038 1.203 1.063 1.00 24.33 H new ATOM 0 HA ASN A 11 -2.219 1.335 0.935 1.00 12.32 H new ATOM 0 HB2 ASN A 11 -4.153 1.140 3.270 1.00 63.32 H new ATOM 0 HB3 ASN A 11 -2.470 1.617 3.381 1.00 63.32 H new ATOM 0 HD21 ASN A 11 -4.067 4.882 3.342 1.00 41.14 H new ATOM 0 HD22 ASN A 11 -3.390 3.625 4.384 1.00 41.14 H new ATOM 181 N LYS A 12 -3.453 -1.444 2.292 1.00 73.50 N ATOM 182 CA LYS A 12 -3.128 -2.836 2.631 1.00 20.35 C ATOM 183 C LYS A 12 -2.551 -3.567 1.421 1.00 64.23 C ATOM 184 O LYS A 12 -1.495 -4.192 1.508 1.00 23.42 O ATOM 185 CB LYS A 12 -4.372 -3.559 3.187 1.00 55.04 C ATOM 186 CG LYS A 12 -4.048 -4.991 3.649 1.00 22.42 C ATOM 187 CD LYS A 12 -5.256 -5.741 4.232 1.00 11.42 C ATOM 188 CE LYS A 12 -4.820 -6.687 5.366 1.00 0.25 C ATOM 189 NZ LYS A 12 -5.613 -7.936 5.445 1.00 42.41 N ATOM 0 H LYS A 12 -4.420 -1.189 2.491 1.00 73.50 H new ATOM 0 HA LYS A 12 -2.365 -2.836 3.409 1.00 20.35 H new ATOM 0 HB2 LYS A 12 -4.778 -2.991 4.024 1.00 55.04 H new ATOM 0 HB3 LYS A 12 -5.145 -3.592 2.420 1.00 55.04 H new ATOM 0 HG2 LYS A 12 -3.655 -5.556 2.804 1.00 22.42 H new ATOM 0 HG3 LYS A 12 -3.259 -4.951 4.400 1.00 22.42 H new ATOM 0 HD2 LYS A 12 -5.986 -5.025 4.610 1.00 11.42 H new ATOM 0 HD3 LYS A 12 -5.749 -6.312 3.445 1.00 11.42 H new ATOM 0 HE2 LYS A 12 -3.770 -6.943 5.228 1.00 0.25 H new ATOM 0 HE3 LYS A 12 -4.897 -6.159 6.316 1.00 0.25 H new ATOM 0 HZ1 LYS A 12 -5.262 -8.521 6.230 1.00 42.41 H new ATOM 0 HZ2 LYS A 12 -6.613 -7.702 5.607 1.00 42.41 H new ATOM 0 HZ3 LYS A 12 -5.521 -8.463 4.553 1.00 42.41 H new ATOM 203 N LEU A 13 -3.234 -3.473 0.279 1.00 35.11 N ATOM 204 CA LEU A 13 -2.828 -4.151 -0.941 1.00 13.41 C ATOM 205 C LEU A 13 -1.454 -3.691 -1.410 1.00 33.41 C ATOM 206 O LEU A 13 -0.735 -4.505 -1.996 1.00 55.54 O ATOM 207 CB LEU A 13 -3.855 -3.961 -2.069 1.00 23.43 C ATOM 208 CG LEU A 13 -5.227 -4.633 -1.894 1.00 53.32 C ATOM 209 CD1 LEU A 13 -5.910 -4.653 -3.266 1.00 23.24 C ATOM 210 CD2 LEU A 13 -5.156 -6.036 -1.301 1.00 64.53 C ATOM 0 H LEU A 13 -4.086 -2.921 0.180 1.00 35.11 H new ATOM 0 HA LEU A 13 -2.774 -5.213 -0.700 1.00 13.41 H new ATOM 0 HB2 LEU A 13 -4.018 -2.891 -2.200 1.00 23.43 H new ATOM 0 HB3 LEU A 13 -3.413 -4.332 -2.994 1.00 23.43 H new ATOM 0 HG LEU A 13 -5.802 -4.054 -1.171 1.00 53.32 H new ATOM 0 HD11 LEU A 13 -6.889 -5.124 -3.178 1.00 23.24 H new ATOM 0 HD12 LEU A 13 -6.030 -3.632 -3.628 1.00 23.24 H new ATOM 0 HD13 LEU A 13 -5.297 -5.217 -3.969 1.00 23.24 H new ATOM 0 HD21 LEU A 13 -6.163 -6.443 -1.208 1.00 64.53 H new ATOM 0 HD22 LEU A 13 -4.564 -6.677 -1.954 1.00 64.53 H new ATOM 0 HD23 LEU A 13 -4.691 -5.992 -0.316 1.00 64.53 H new ATOM 222 N MET A 14 -1.075 -2.428 -1.178 1.00 44.40 N ATOM 223 CA MET A 14 0.264 -1.975 -1.514 1.00 14.54 C ATOM 224 C MET A 14 1.278 -2.782 -0.718 1.00 63.22 C ATOM 225 O MET A 14 2.185 -3.385 -1.293 1.00 12.15 O ATOM 226 CB MET A 14 0.445 -0.472 -1.256 1.00 21.04 C ATOM 227 CG MET A 14 1.645 0.003 -2.080 1.00 62.02 C ATOM 228 SD MET A 14 2.451 1.537 -1.591 1.00 61.40 S ATOM 229 CE MET A 14 3.654 1.559 -2.941 1.00 31.01 C ATOM 0 H MET A 14 -1.675 -1.715 -0.763 1.00 44.40 H new ATOM 0 HA MET A 14 0.422 -2.133 -2.581 1.00 14.54 H new ATOM 0 HB2 MET A 14 -0.454 0.075 -1.540 1.00 21.04 H new ATOM 0 HB3 MET A 14 0.611 -0.284 -0.195 1.00 21.04 H new ATOM 0 HG2 MET A 14 2.395 -0.788 -2.065 1.00 62.02 H new ATOM 0 HG3 MET A 14 1.318 0.112 -3.114 1.00 62.02 H new ATOM 0 HE1 MET A 14 3.917 2.590 -3.177 1.00 31.01 H new ATOM 0 HE2 MET A 14 4.550 1.016 -2.639 1.00 31.01 H new ATOM 0 HE3 MET A 14 3.221 1.084 -3.822 1.00 31.01 H new ATOM 239 N GLY A 15 1.103 -2.834 0.604 1.00 33.21 N ATOM 240 CA GLY A 15 2.012 -3.534 1.493 1.00 13.42 C ATOM 241 C GLY A 15 2.229 -4.990 1.094 1.00 42.20 C ATOM 242 O GLY A 15 3.331 -5.497 1.281 1.00 14.21 O ATOM 0 H GLY A 15 0.321 -2.387 1.083 1.00 33.21 H new ATOM 0 HA2 GLY A 15 2.972 -3.018 1.502 1.00 13.42 H new ATOM 0 HA3 GLY A 15 1.620 -3.496 2.509 1.00 13.42 H new ATOM 246 N LEU A 16 1.229 -5.674 0.530 1.00 11.42 N ATOM 247 CA LEU A 16 1.371 -7.056 0.081 1.00 40.50 C ATOM 248 C LEU A 16 2.393 -7.189 -1.047 1.00 12.34 C ATOM 249 O LEU A 16 3.175 -8.138 -1.022 1.00 71.31 O ATOM 250 CB LEU A 16 0.012 -7.607 -0.369 1.00 44.41 C ATOM 251 CG LEU A 16 -0.892 -7.985 0.814 1.00 55.51 C ATOM 252 CD1 LEU A 16 -2.327 -8.150 0.319 1.00 4.22 C ATOM 253 CD2 LEU A 16 -0.437 -9.285 1.495 1.00 73.33 C ATOM 0 H LEU A 16 0.300 -5.283 0.373 1.00 11.42 H new ATOM 0 HA LEU A 16 1.738 -7.640 0.926 1.00 40.50 H new ATOM 0 HB2 LEU A 16 -0.493 -6.862 -0.984 1.00 44.41 H new ATOM 0 HB3 LEU A 16 0.169 -8.484 -0.996 1.00 44.41 H new ATOM 0 HG LEU A 16 -0.830 -7.184 1.551 1.00 55.51 H new ATOM 0 HD11 LEU A 16 -2.972 -8.418 1.156 1.00 4.22 H new ATOM 0 HD12 LEU A 16 -2.671 -7.213 -0.118 1.00 4.22 H new ATOM 0 HD13 LEU A 16 -2.364 -8.937 -0.434 1.00 4.22 H new ATOM 0 HD21 LEU A 16 -1.105 -9.514 2.326 1.00 73.33 H new ATOM 0 HD22 LEU A 16 -0.462 -10.102 0.774 1.00 73.33 H new ATOM 0 HD23 LEU A 16 0.579 -9.163 1.870 1.00 73.33 H new ATOM 265 N TRP A 17 2.408 -6.265 -2.015 1.00 73.41 N ATOM 266 CA TRP A 17 3.455 -6.224 -3.035 1.00 4.42 C ATOM 267 C TRP A 17 4.783 -5.916 -2.357 1.00 55.10 C ATOM 268 O TRP A 17 5.718 -6.700 -2.477 1.00 14.33 O ATOM 269 CB TRP A 17 3.132 -5.181 -4.120 1.00 4.52 C ATOM 270 CG TRP A 17 4.233 -4.929 -5.110 1.00 40.14 C ATOM 271 CD1 TRP A 17 4.665 -5.816 -6.031 1.00 42.21 C ATOM 272 CD2 TRP A 17 5.058 -3.736 -5.309 1.00 60.20 C ATOM 273 NE1 TRP A 17 5.692 -5.274 -6.767 1.00 2.53 N ATOM 274 CE2 TRP A 17 5.956 -3.978 -6.391 1.00 75.33 C ATOM 275 CE3 TRP A 17 5.098 -2.450 -4.732 1.00 12.55 C ATOM 276 CZ2 TRP A 17 6.857 -3.012 -6.859 1.00 64.33 C ATOM 277 CZ3 TRP A 17 5.961 -1.453 -5.228 1.00 62.14 C ATOM 278 CH2 TRP A 17 6.857 -1.737 -6.277 1.00 75.12 C ATOM 0 H TRP A 17 1.703 -5.534 -2.111 1.00 73.41 H new ATOM 0 HA TRP A 17 3.516 -7.192 -3.533 1.00 4.42 H new ATOM 0 HB2 TRP A 17 2.244 -5.507 -4.662 1.00 4.52 H new ATOM 0 HB3 TRP A 17 2.880 -4.239 -3.633 1.00 4.52 H new ATOM 0 HD1 TRP A 17 4.262 -6.808 -6.170 1.00 42.21 H new ATOM 0 HE1 TRP A 17 6.196 -5.772 -7.501 1.00 2.53 H new ATOM 0 HE3 TRP A 17 4.455 -2.225 -3.894 1.00 12.55 H new ATOM 0 HZ2 TRP A 17 7.543 -3.247 -7.659 1.00 64.33 H new ATOM 0 HZ3 TRP A 17 5.935 -0.462 -4.800 1.00 62.14 H new ATOM 0 HH2 TRP A 17 7.539 -0.978 -6.630 1.00 75.12 H new ATOM 289 N VAL A 18 4.858 -4.802 -1.625 1.00 53.52 N ATOM 290 CA VAL A 18 6.104 -4.321 -1.042 1.00 32.01 C ATOM 291 C VAL A 18 6.774 -5.411 -0.195 1.00 64.21 C ATOM 292 O VAL A 18 7.973 -5.637 -0.318 1.00 63.32 O ATOM 293 CB VAL A 18 5.836 -3.059 -0.212 1.00 0.24 C ATOM 294 CG1 VAL A 18 7.145 -2.526 0.364 1.00 2.23 C ATOM 295 CG2 VAL A 18 5.164 -1.894 -0.950 1.00 55.44 C ATOM 0 H VAL A 18 4.053 -4.210 -1.422 1.00 53.52 H new ATOM 0 HA VAL A 18 6.793 -4.068 -1.848 1.00 32.01 H new ATOM 0 HB VAL A 18 5.134 -3.397 0.550 1.00 0.24 H new ATOM 0 HG11 VAL A 18 6.946 -1.630 0.952 1.00 2.23 H new ATOM 0 HG12 VAL A 18 7.598 -3.285 1.002 1.00 2.23 H new ATOM 0 HG13 VAL A 18 7.828 -2.282 -0.450 1.00 2.23 H new ATOM 0 HG21 VAL A 18 5.026 -1.059 -0.263 1.00 55.44 H new ATOM 0 HG22 VAL A 18 5.794 -1.579 -1.782 1.00 55.44 H new ATOM 0 HG23 VAL A 18 4.194 -2.215 -1.330 1.00 55.44 H new ATOM 305 N ALA A 19 6.014 -6.109 0.648 1.00 11.23 N ATOM 306 CA ALA A 19 6.510 -7.213 1.452 1.00 14.45 C ATOM 307 C ALA A 19 7.159 -8.293 0.583 1.00 21.12 C ATOM 308 O ALA A 19 8.264 -8.728 0.899 1.00 40.43 O ATOM 309 CB ALA A 19 5.364 -7.769 2.291 1.00 35.33 C ATOM 0 H ALA A 19 5.022 -5.916 0.790 1.00 11.23 H new ATOM 0 HA ALA A 19 7.292 -6.850 2.119 1.00 14.45 H new ATOM 0 HB1 ALA A 19 5.727 -8.598 2.898 1.00 35.33 H new ATOM 0 HB2 ALA A 19 4.976 -6.985 2.942 1.00 35.33 H new ATOM 0 HB3 ALA A 19 4.569 -8.121 1.633 1.00 35.33 H new ATOM 315 N GLU A 20 6.534 -8.697 -0.525 1.00 2.12 N ATOM 316 CA GLU A 20 7.162 -9.625 -1.457 1.00 72.12 C ATOM 317 C GLU A 20 8.455 -9.024 -2.031 1.00 72.04 C ATOM 318 O GLU A 20 9.450 -9.741 -2.145 1.00 41.13 O ATOM 319 CB GLU A 20 6.167 -10.039 -2.558 1.00 24.35 C ATOM 320 CG GLU A 20 6.894 -10.782 -3.684 1.00 72.02 C ATOM 321 CD GLU A 20 5.955 -11.293 -4.764 1.00 23.15 C ATOM 322 OE1 GLU A 20 5.368 -12.387 -4.617 1.00 62.20 O ATOM 323 OE2 GLU A 20 5.815 -10.610 -5.800 1.00 40.13 O ATOM 0 H GLU A 20 5.598 -8.396 -0.795 1.00 2.12 H new ATOM 0 HA GLU A 20 7.443 -10.532 -0.921 1.00 72.12 H new ATOM 0 HB2 GLU A 20 5.391 -10.677 -2.135 1.00 24.35 H new ATOM 0 HB3 GLU A 20 5.670 -9.156 -2.959 1.00 24.35 H new ATOM 0 HG2 GLU A 20 7.629 -10.116 -4.135 1.00 72.02 H new ATOM 0 HG3 GLU A 20 7.443 -11.623 -3.261 1.00 72.02 H new ATOM 330 N VAL A 21 8.478 -7.737 -2.391 1.00 1.33 N ATOM 331 CA VAL A 21 9.693 -7.078 -2.881 1.00 32.41 C ATOM 332 C VAL A 21 10.800 -7.118 -1.812 1.00 72.40 C ATOM 333 O VAL A 21 11.973 -7.252 -2.162 1.00 14.11 O ATOM 334 CB VAL A 21 9.383 -5.643 -3.374 1.00 72.14 C ATOM 335 CG1 VAL A 21 10.630 -4.959 -3.955 1.00 32.11 C ATOM 336 CG2 VAL A 21 8.304 -5.650 -4.471 1.00 1.45 C ATOM 0 H VAL A 21 7.662 -7.127 -2.352 1.00 1.33 H new ATOM 0 HA VAL A 21 10.069 -7.627 -3.744 1.00 32.41 H new ATOM 0 HB VAL A 21 9.032 -5.094 -2.500 1.00 72.14 H new ATOM 0 HG11 VAL A 21 10.371 -3.954 -4.290 1.00 32.11 H new ATOM 0 HG12 VAL A 21 11.402 -4.898 -3.188 1.00 32.11 H new ATOM 0 HG13 VAL A 21 11.002 -5.538 -4.800 1.00 32.11 H new ATOM 0 HG21 VAL A 21 8.109 -4.628 -4.796 1.00 1.45 H new ATOM 0 HG22 VAL A 21 8.651 -6.240 -5.319 1.00 1.45 H new ATOM 0 HG23 VAL A 21 7.387 -6.087 -4.076 1.00 1.45 H new ATOM 346 N LEU A 22 10.453 -7.049 -0.524 1.00 41.34 N ATOM 347 CA LEU A 22 11.378 -7.174 0.602 1.00 23.21 C ATOM 348 C LEU A 22 11.788 -8.629 0.871 1.00 1.11 C ATOM 349 O LEU A 22 12.690 -8.852 1.673 1.00 1.44 O ATOM 350 CB LEU A 22 10.749 -6.565 1.873 1.00 3.33 C ATOM 351 CG LEU A 22 10.545 -5.039 1.809 1.00 23.01 C ATOM 352 CD1 LEU A 22 9.641 -4.567 2.952 1.00 51.21 C ATOM 353 CD2 LEU A 22 11.870 -4.283 1.897 1.00 33.04 C ATOM 0 H LEU A 22 9.488 -6.900 -0.228 1.00 41.34 H new ATOM 0 HA LEU A 22 12.282 -6.627 0.334 1.00 23.21 H new ATOM 0 HB2 LEU A 22 9.785 -7.042 2.052 1.00 3.33 H new ATOM 0 HB3 LEU A 22 11.384 -6.800 2.727 1.00 3.33 H new ATOM 0 HG LEU A 22 10.079 -4.826 0.847 1.00 23.01 H new ATOM 0 HD11 LEU A 22 9.509 -3.487 2.889 1.00 51.21 H new ATOM 0 HD12 LEU A 22 8.670 -5.056 2.874 1.00 51.21 H new ATOM 0 HD13 LEU A 22 10.100 -4.822 3.907 1.00 51.21 H new ATOM 0 HD21 LEU A 22 11.681 -3.211 1.848 1.00 33.04 H new ATOM 0 HD22 LEU A 22 12.363 -4.522 2.839 1.00 33.04 H new ATOM 0 HD23 LEU A 22 12.512 -4.576 1.067 1.00 33.04 H new ATOM 365 N GLY A 23 11.170 -9.625 0.230 1.00 74.12 N ATOM 366 CA GLY A 23 11.396 -11.034 0.550 1.00 12.43 C ATOM 367 C GLY A 23 10.746 -11.436 1.879 1.00 42.53 C ATOM 368 O GLY A 23 11.093 -12.466 2.464 1.00 3.35 O ATOM 0 H GLY A 23 10.500 -9.476 -0.524 1.00 74.12 H new ATOM 0 HA2 GLY A 23 10.996 -11.656 -0.251 1.00 12.43 H new ATOM 0 HA3 GLY A 23 12.468 -11.227 0.598 1.00 12.43 H new ATOM 372 N LYS A 24 9.812 -10.634 2.395 1.00 13.34 N ATOM 373 CA LYS A 24 8.957 -11.047 3.502 1.00 54.50 C ATOM 374 C LYS A 24 8.000 -12.116 2.980 1.00 21.45 C ATOM 375 O LYS A 24 7.740 -12.214 1.775 1.00 73.20 O ATOM 376 CB LYS A 24 8.191 -9.839 4.056 1.00 43.12 C ATOM 377 CG LYS A 24 9.112 -8.829 4.751 1.00 1.13 C ATOM 378 CD LYS A 24 8.335 -7.570 5.158 1.00 63.24 C ATOM 379 CE LYS A 24 9.245 -6.600 5.919 1.00 52.41 C ATOM 380 NZ LYS A 24 9.364 -6.913 7.357 1.00 41.21 N ATOM 0 H LYS A 24 9.630 -9.688 2.058 1.00 13.34 H new ATOM 0 HA LYS A 24 9.553 -11.456 4.318 1.00 54.50 H new ATOM 0 HB2 LYS A 24 7.662 -9.343 3.242 1.00 43.12 H new ATOM 0 HB3 LYS A 24 7.436 -10.184 4.763 1.00 43.12 H new ATOM 0 HG2 LYS A 24 9.560 -9.286 5.633 1.00 1.13 H new ATOM 0 HG3 LYS A 24 9.930 -8.557 4.083 1.00 1.13 H new ATOM 0 HD2 LYS A 24 7.933 -7.081 4.271 1.00 63.24 H new ATOM 0 HD3 LYS A 24 7.485 -7.846 5.782 1.00 63.24 H new ATOM 0 HE2 LYS A 24 10.237 -6.615 5.468 1.00 52.41 H new ATOM 0 HE3 LYS A 24 8.859 -5.587 5.806 1.00 52.41 H new ATOM 0 HZ1 LYS A 24 9.979 -6.210 7.816 1.00 41.21 H new ATOM 0 HZ2 LYS A 24 8.422 -6.888 7.797 1.00 41.21 H new ATOM 0 HZ3 LYS A 24 9.776 -7.861 7.473 1.00 41.21 H new ATOM 394 N SER A 25 7.446 -12.910 3.889 1.00 22.34 N ATOM 395 CA SER A 25 6.459 -13.921 3.544 1.00 3.55 C ATOM 396 C SER A 25 5.652 -14.243 4.793 1.00 0.22 C ATOM 397 O SER A 25 5.788 -13.570 5.822 1.00 60.14 O ATOM 398 CB SER A 25 7.156 -15.165 2.967 1.00 61.32 C ATOM 399 OG SER A 25 6.410 -15.743 1.906 1.00 23.03 O ATOM 0 H SER A 25 7.669 -12.870 4.883 1.00 22.34 H new ATOM 0 HA SER A 25 5.781 -13.554 2.774 1.00 3.55 H new ATOM 0 HB2 SER A 25 8.148 -14.892 2.607 1.00 61.32 H new ATOM 0 HB3 SER A 25 7.296 -15.903 3.757 1.00 61.32 H new ATOM 0 HG SER A 25 6.884 -16.529 1.563 1.00 23.03 H new ATOM 405 N GLY A 26 4.825 -15.281 4.716 1.00 54.53 N ATOM 406 CA GLY A 26 4.006 -15.749 5.822 1.00 4.32 C ATOM 407 C GLY A 26 3.218 -14.599 6.436 1.00 52.40 C ATOM 408 O GLY A 26 2.570 -13.835 5.714 1.00 34.34 O ATOM 0 H GLY A 26 4.705 -15.829 3.864 1.00 54.53 H new ATOM 0 HA2 GLY A 26 3.320 -16.520 5.471 1.00 4.32 H new ATOM 0 HA3 GLY A 26 4.640 -16.208 6.581 1.00 4.32 H new ATOM 412 N ASP A 27 3.262 -14.472 7.762 1.00 55.50 N ATOM 413 CA ASP A 27 2.562 -13.395 8.457 1.00 14.55 C ATOM 414 C ASP A 27 3.378 -12.114 8.512 1.00 0.42 C ATOM 415 O ASP A 27 2.798 -11.048 8.671 1.00 1.44 O ATOM 416 CB ASP A 27 2.140 -13.799 9.872 1.00 22.34 C ATOM 417 CG ASP A 27 0.714 -14.356 9.896 1.00 24.31 C ATOM 418 OD1 ASP A 27 -0.190 -13.719 9.285 1.00 0.41 O ATOM 419 OD2 ASP A 27 0.473 -15.414 10.501 1.00 42.04 O ATOM 0 H ASP A 27 3.776 -15.103 8.376 1.00 55.50 H new ATOM 0 HA ASP A 27 1.664 -13.203 7.869 1.00 14.55 H new ATOM 0 HB2 ASP A 27 2.831 -14.548 10.259 1.00 22.34 H new ATOM 0 HB3 ASP A 27 2.205 -12.935 10.533 1.00 22.34 H new ATOM 424 N GLU A 28 4.695 -12.150 8.303 1.00 52.13 N ATOM 425 CA GLU A 28 5.479 -10.949 8.070 1.00 71.12 C ATOM 426 C GLU A 28 4.880 -10.117 6.927 1.00 21.14 C ATOM 427 O GLU A 28 4.707 -8.902 7.052 1.00 14.11 O ATOM 428 CB GLU A 28 6.947 -11.319 7.776 1.00 21.44 C ATOM 429 CG GLU A 28 7.853 -10.915 8.928 1.00 33.01 C ATOM 430 CD GLU A 28 9.290 -10.660 8.478 1.00 1.44 C ATOM 431 OE1 GLU A 28 9.633 -9.505 8.136 1.00 54.11 O ATOM 432 OE2 GLU A 28 10.105 -11.606 8.508 1.00 31.42 O ATOM 0 H GLU A 28 5.241 -13.012 8.292 1.00 52.13 H new ATOM 0 HA GLU A 28 5.453 -10.338 8.972 1.00 71.12 H new ATOM 0 HB2 GLU A 28 7.028 -12.392 7.605 1.00 21.44 H new ATOM 0 HB3 GLU A 28 7.274 -10.825 6.861 1.00 21.44 H new ATOM 0 HG2 GLU A 28 7.458 -10.015 9.399 1.00 33.01 H new ATOM 0 HG3 GLU A 28 7.846 -11.700 9.684 1.00 33.01 H new ATOM 439 N ALA A 29 4.493 -10.786 5.837 1.00 1.44 N ATOM 440 CA ALA A 29 3.842 -10.158 4.694 1.00 35.45 C ATOM 441 C ALA A 29 2.407 -9.687 4.984 1.00 2.32 C ATOM 442 O ALA A 29 1.816 -9.017 4.138 1.00 62.31 O ATOM 443 CB ALA A 29 3.878 -11.112 3.495 1.00 35.11 C ATOM 0 H ALA A 29 4.627 -11.791 5.727 1.00 1.44 H new ATOM 0 HA ALA A 29 4.403 -9.253 4.463 1.00 35.45 H new ATOM 0 HB1 ALA A 29 3.391 -10.641 2.641 1.00 35.11 H new ATOM 0 HB2 ALA A 29 4.914 -11.340 3.242 1.00 35.11 H new ATOM 0 HB3 ALA A 29 3.355 -12.034 3.748 1.00 35.11 H new ATOM 449 N ASN A 30 1.847 -9.987 6.157 1.00 4.12 N ATOM 450 CA ASN A 30 0.554 -9.482 6.616 1.00 71.10 C ATOM 451 C ASN A 30 0.768 -8.323 7.585 1.00 72.30 C ATOM 452 O ASN A 30 0.065 -7.311 7.536 1.00 53.21 O ATOM 453 CB ASN A 30 -0.241 -10.592 7.325 1.00 51.42 C ATOM 454 CG ASN A 30 -0.816 -11.606 6.349 1.00 23.52 C ATOM 455 OD1 ASN A 30 -1.386 -11.224 5.333 1.00 23.52 O ATOM 456 ND2 ASN A 30 -0.775 -12.887 6.668 1.00 0.33 N ATOM 0 H ASN A 30 2.294 -10.606 6.833 1.00 4.12 H new ATOM 0 HA ASN A 30 -0.010 -9.141 5.748 1.00 71.10 H new ATOM 0 HB2 ASN A 30 0.409 -11.103 8.035 1.00 51.42 H new ATOM 0 HB3 ASN A 30 -1.052 -10.144 7.900 1.00 51.42 H new ATOM 0 HD21 ASN A 30 -1.222 -13.577 6.065 1.00 0.33 H new ATOM 0 HD22 ASN A 30 -0.296 -13.186 7.517 1.00 0.33 H new ATOM 463 N ALA A 31 1.745 -8.464 8.480 1.00 61.34 N ATOM 464 CA ALA A 31 2.109 -7.496 9.497 1.00 71.54 C ATOM 465 C ALA A 31 2.538 -6.186 8.842 1.00 2.45 C ATOM 466 O ALA A 31 2.051 -5.126 9.240 1.00 2.22 O ATOM 467 CB ALA A 31 3.231 -8.081 10.362 1.00 64.24 C ATOM 0 H ALA A 31 2.329 -9.300 8.511 1.00 61.34 H new ATOM 0 HA ALA A 31 1.251 -7.281 10.134 1.00 71.54 H new ATOM 0 HB1 ALA A 31 3.512 -7.360 11.130 1.00 64.24 H new ATOM 0 HB2 ALA A 31 2.884 -8.999 10.836 1.00 64.24 H new ATOM 0 HB3 ALA A 31 4.096 -8.300 9.736 1.00 64.24 H new ATOM 473 N TYR A 32 3.418 -6.268 7.838 1.00 14.22 N ATOM 474 CA TYR A 32 3.973 -5.118 7.137 1.00 62.01 C ATOM 475 C TYR A 32 2.860 -4.273 6.509 1.00 2.21 C ATOM 476 O TYR A 32 2.955 -3.044 6.509 1.00 35.41 O ATOM 477 CB TYR A 32 4.987 -5.603 6.086 1.00 74.02 C ATOM 478 CG TYR A 32 5.671 -4.491 5.310 1.00 62.14 C ATOM 479 CD1 TYR A 32 6.865 -3.908 5.783 1.00 42.32 C ATOM 480 CD2 TYR A 32 5.073 -3.986 4.143 1.00 31.42 C ATOM 481 CE1 TYR A 32 7.462 -2.832 5.095 1.00 21.03 C ATOM 482 CE2 TYR A 32 5.647 -2.899 3.470 1.00 71.40 C ATOM 483 CZ TYR A 32 6.839 -2.307 3.940 1.00 32.03 C ATOM 484 OH TYR A 32 7.290 -1.166 3.354 1.00 64.32 O ATOM 0 H TYR A 32 3.769 -7.159 7.487 1.00 14.22 H new ATOM 0 HA TYR A 32 4.494 -4.476 7.847 1.00 62.01 H new ATOM 0 HB2 TYR A 32 5.749 -6.203 6.584 1.00 74.02 H new ATOM 0 HB3 TYR A 32 4.475 -6.259 5.382 1.00 74.02 H new ATOM 0 HD1 TYR A 32 7.327 -4.290 6.682 1.00 42.32 H new ATOM 0 HD2 TYR A 32 4.168 -4.437 3.763 1.00 31.42 H new ATOM 0 HE1 TYR A 32 8.391 -2.411 5.449 1.00 21.03 H new ATOM 0 HE2 TYR A 32 5.172 -2.510 2.582 1.00 71.40 H new ATOM 0 HH TYR A 32 7.687 -0.583 4.035 1.00 64.32 H new ATOM 494 N ALA A 33 1.797 -4.901 5.995 1.00 52.10 N ATOM 495 CA ALA A 33 0.721 -4.190 5.316 1.00 15.21 C ATOM 496 C ALA A 33 -0.022 -3.256 6.265 1.00 2.13 C ATOM 497 O ALA A 33 -0.468 -2.192 5.838 1.00 53.41 O ATOM 498 CB ALA A 33 -0.270 -5.175 4.688 1.00 52.20 C ATOM 0 H ALA A 33 1.663 -5.911 6.040 1.00 52.10 H new ATOM 0 HA ALA A 33 1.180 -3.590 4.530 1.00 15.21 H new ATOM 0 HB1 ALA A 33 -1.064 -4.622 4.187 1.00 52.20 H new ATOM 0 HB2 ALA A 33 0.250 -5.801 3.963 1.00 52.20 H new ATOM 0 HB3 ALA A 33 -0.701 -5.804 5.467 1.00 52.20 H new ATOM 504 N ALA A 34 -0.168 -3.637 7.537 1.00 31.25 N ATOM 505 CA ALA A 34 -0.874 -2.789 8.491 1.00 44.22 C ATOM 506 C ALA A 34 -0.050 -1.543 8.813 1.00 34.14 C ATOM 507 O ALA A 34 -0.618 -0.463 8.945 1.00 43.12 O ATOM 508 CB ALA A 34 -1.191 -3.566 9.761 1.00 53.04 C ATOM 0 H ALA A 34 0.188 -4.512 7.922 1.00 31.25 H new ATOM 0 HA ALA A 34 -1.814 -2.470 8.040 1.00 44.22 H new ATOM 0 HB1 ALA A 34 -1.718 -2.918 10.462 1.00 53.04 H new ATOM 0 HB2 ALA A 34 -1.819 -4.423 9.516 1.00 53.04 H new ATOM 0 HB3 ALA A 34 -0.264 -3.914 10.216 1.00 53.04 H new ATOM 514 N GLU A 35 1.278 -1.663 8.884 1.00 32.21 N ATOM 515 CA GLU A 35 2.156 -0.515 9.080 1.00 13.35 C ATOM 516 C GLU A 35 2.034 0.469 7.917 1.00 2.25 C ATOM 517 O GLU A 35 1.995 1.672 8.158 1.00 21.45 O ATOM 518 CB GLU A 35 3.605 -0.952 9.195 1.00 40.14 C ATOM 519 CG GLU A 35 3.931 -1.824 10.390 1.00 42.11 C ATOM 520 CD GLU A 35 3.774 -1.147 11.753 1.00 75.50 C ATOM 521 OE1 GLU A 35 2.631 -1.018 12.248 1.00 42.30 O ATOM 522 OE2 GLU A 35 4.794 -0.890 12.428 1.00 75.33 O ATOM 0 H GLU A 35 1.769 -2.554 8.807 1.00 32.21 H new ATOM 0 HA GLU A 35 1.848 -0.028 10.005 1.00 13.35 H new ATOM 0 HB2 GLU A 35 3.876 -1.493 8.288 1.00 40.14 H new ATOM 0 HB3 GLU A 35 4.233 -0.062 9.235 1.00 40.14 H new ATOM 0 HG2 GLU A 35 3.289 -2.704 10.363 1.00 42.11 H new ATOM 0 HG3 GLU A 35 4.958 -2.176 10.293 1.00 42.11 H new ATOM 529 N VAL A 36 1.946 -0.026 6.674 1.00 1.23 N ATOM 530 CA VAL A 36 1.699 0.804 5.497 1.00 72.14 C ATOM 531 C VAL A 36 0.383 1.567 5.690 1.00 55.03 C ATOM 532 O VAL A 36 0.375 2.788 5.574 1.00 34.21 O ATOM 533 CB VAL A 36 1.723 -0.054 4.209 1.00 60.03 C ATOM 534 CG1 VAL A 36 1.311 0.725 2.960 1.00 63.24 C ATOM 535 CG2 VAL A 36 3.117 -0.630 3.933 1.00 24.03 C ATOM 0 H VAL A 36 2.045 -1.019 6.461 1.00 1.23 H new ATOM 0 HA VAL A 36 2.494 1.541 5.380 1.00 72.14 H new ATOM 0 HB VAL A 36 1.002 -0.849 4.400 1.00 60.03 H new ATOM 0 HG11 VAL A 36 1.349 0.067 2.092 1.00 63.24 H new ATOM 0 HG12 VAL A 36 0.296 1.103 3.085 1.00 63.24 H new ATOM 0 HG13 VAL A 36 1.994 1.561 2.811 1.00 63.24 H new ATOM 0 HG21 VAL A 36 3.090 -1.226 3.020 1.00 24.03 H new ATOM 0 HG22 VAL A 36 3.830 0.185 3.814 1.00 24.03 H new ATOM 0 HG23 VAL A 36 3.422 -1.260 4.769 1.00 24.03 H new ATOM 545 N VAL A 37 -0.711 0.880 6.041 1.00 41.10 N ATOM 546 CA VAL A 37 -2.011 1.518 6.267 1.00 21.44 C ATOM 547 C VAL A 37 -1.936 2.568 7.380 1.00 40.32 C ATOM 548 O VAL A 37 -2.658 3.560 7.329 1.00 41.10 O ATOM 549 CB VAL A 37 -3.086 0.444 6.560 1.00 31.13 C ATOM 550 CG1 VAL A 37 -4.496 1.037 6.734 1.00 13.45 C ATOM 551 CG2 VAL A 37 -3.164 -0.642 5.468 1.00 11.03 C ATOM 0 H VAL A 37 -0.719 -0.131 6.176 1.00 41.10 H new ATOM 0 HA VAL A 37 -2.299 2.047 5.359 1.00 21.44 H new ATOM 0 HB VAL A 37 -2.761 -0.005 7.499 1.00 31.13 H new ATOM 0 HG11 VAL A 37 -5.206 0.235 6.937 1.00 13.45 H new ATOM 0 HG12 VAL A 37 -4.495 1.740 7.567 1.00 13.45 H new ATOM 0 HG13 VAL A 37 -4.787 1.557 5.821 1.00 13.45 H new ATOM 0 HG21 VAL A 37 -3.935 -1.366 5.730 1.00 11.03 H new ATOM 0 HG22 VAL A 37 -3.410 -0.180 4.512 1.00 11.03 H new ATOM 0 HG23 VAL A 37 -2.202 -1.149 5.390 1.00 11.03 H new ATOM 704 N ASP A 48 3.528 11.322 2.191 1.00 31.11 N ATOM 705 CA ASP A 48 4.591 10.741 3.014 1.00 73.33 C ATOM 706 C ASP A 48 4.548 9.211 3.009 1.00 40.41 C ATOM 707 O ASP A 48 5.546 8.566 3.319 1.00 63.22 O ATOM 708 CB ASP A 48 4.579 11.319 4.435 1.00 74.13 C ATOM 709 CG ASP A 48 6.007 11.375 4.985 1.00 44.10 C ATOM 710 OD1 ASP A 48 6.891 11.947 4.303 1.00 40.24 O ATOM 711 OD2 ASP A 48 6.261 10.914 6.120 1.00 43.23 O ATOM 0 HA ASP A 48 5.542 11.023 2.563 1.00 73.33 H new ATOM 0 HB2 ASP A 48 4.143 12.318 4.427 1.00 74.13 H new ATOM 0 HB3 ASP A 48 3.954 10.704 5.082 1.00 74.13 H new ATOM 716 N VAL A 49 3.446 8.623 2.520 1.00 61.31 N ATOM 717 CA VAL A 49 3.333 7.198 2.204 1.00 34.21 C ATOM 718 C VAL A 49 4.492 6.781 1.295 1.00 74.41 C ATOM 719 O VAL A 49 5.062 5.697 1.470 1.00 44.33 O ATOM 720 CB VAL A 49 1.968 6.931 1.525 1.00 24.45 C ATOM 721 CG1 VAL A 49 1.846 5.524 0.926 1.00 34.31 C ATOM 722 CG2 VAL A 49 0.813 7.096 2.515 1.00 40.34 C ATOM 0 H VAL A 49 2.589 9.142 2.330 1.00 61.31 H new ATOM 0 HA VAL A 49 3.386 6.607 3.118 1.00 34.21 H new ATOM 0 HB VAL A 49 1.913 7.666 0.722 1.00 24.45 H new ATOM 0 HG11 VAL A 49 0.864 5.408 0.467 1.00 34.31 H new ATOM 0 HG12 VAL A 49 2.619 5.382 0.170 1.00 34.31 H new ATOM 0 HG13 VAL A 49 1.968 4.781 1.714 1.00 34.31 H new ATOM 0 HG21 VAL A 49 -0.132 6.902 2.007 1.00 40.34 H new ATOM 0 HG22 VAL A 49 0.935 6.391 3.337 1.00 40.34 H new ATOM 0 HG23 VAL A 49 0.812 8.113 2.907 1.00 40.34 H new ATOM 732 N MET A 50 4.847 7.624 0.316 1.00 53.21 N ATOM 733 CA MET A 50 5.982 7.328 -0.536 1.00 73.42 C ATOM 734 C MET A 50 7.254 7.300 0.301 1.00 42.12 C ATOM 735 O MET A 50 7.996 6.333 0.197 1.00 11.35 O ATOM 736 CB MET A 50 6.091 8.270 -1.738 1.00 22.15 C ATOM 737 CG MET A 50 4.885 8.249 -2.680 1.00 41.43 C ATOM 738 SD MET A 50 4.767 6.805 -3.780 1.00 54.42 S ATOM 739 CE MET A 50 3.835 5.671 -2.737 1.00 21.14 C ATOM 0 H MET A 50 4.367 8.499 0.105 1.00 53.21 H new ATOM 0 HA MET A 50 5.830 6.340 -0.970 1.00 73.42 H new ATOM 0 HB2 MET A 50 6.232 9.287 -1.373 1.00 22.15 H new ATOM 0 HB3 MET A 50 6.983 8.009 -2.307 1.00 22.15 H new ATOM 0 HG2 MET A 50 3.977 8.300 -2.079 1.00 41.43 H new ATOM 0 HG3 MET A 50 4.911 9.149 -3.294 1.00 41.43 H new ATOM 0 HE1 MET A 50 4.503 4.904 -2.345 1.00 21.14 H new ATOM 0 HE2 MET A 50 3.389 6.222 -1.909 1.00 21.14 H new ATOM 0 HE3 MET A 50 3.048 5.199 -3.325 1.00 21.14 H new ATOM 749 N ARG A 51 7.516 8.298 1.148 1.00 43.10 N ATOM 750 CA ARG A 51 8.700 8.324 2.000 1.00 0.11 C ATOM 751 C ARG A 51 8.794 7.059 2.855 1.00 62.03 C ATOM 752 O ARG A 51 9.853 6.432 2.862 1.00 22.15 O ATOM 753 CB ARG A 51 8.680 9.614 2.842 1.00 13.45 C ATOM 754 CG ARG A 51 10.060 10.269 2.992 1.00 2.54 C ATOM 755 CD ARG A 51 10.652 10.174 4.403 1.00 63.43 C ATOM 756 NE ARG A 51 10.971 8.799 4.826 1.00 51.51 N ATOM 757 CZ ARG A 51 12.136 8.170 4.638 1.00 22.24 C ATOM 758 NH1 ARG A 51 13.080 8.663 3.847 1.00 53.10 N ATOM 759 NH2 ARG A 51 12.382 7.033 5.265 1.00 2.45 N ATOM 0 H ARG A 51 6.910 9.111 1.260 1.00 43.10 H new ATOM 0 HA ARG A 51 9.600 8.333 1.385 1.00 0.11 H new ATOM 0 HB2 ARG A 51 7.996 10.328 2.383 1.00 13.45 H new ATOM 0 HB3 ARG A 51 8.285 9.386 3.832 1.00 13.45 H new ATOM 0 HG2 ARG A 51 10.750 9.802 2.289 1.00 2.54 H new ATOM 0 HG3 ARG A 51 9.983 11.320 2.713 1.00 2.54 H new ATOM 0 HD2 ARG A 51 11.559 10.777 4.447 1.00 63.43 H new ATOM 0 HD3 ARG A 51 9.947 10.607 5.112 1.00 63.43 H new ATOM 0 HE ARG A 51 10.236 8.280 5.306 1.00 51.51 H new ATOM 0 HH11 ARG A 51 12.928 9.547 3.361 1.00 53.10 H new ATOM 0 HH12 ARG A 51 13.958 8.158 3.725 1.00 53.10 H new ATOM 0 HH21 ARG A 51 11.683 6.635 5.892 1.00 2.45 H new ATOM 0 HH22 ARG A 51 13.271 6.553 5.121 1.00 2.45 H new ATOM 773 N LYS A 52 7.698 6.638 3.499 1.00 62.13 N ATOM 774 CA LYS A 52 7.639 5.396 4.270 1.00 35.25 C ATOM 775 C LYS A 52 8.103 4.213 3.428 1.00 11.52 C ATOM 776 O LYS A 52 9.055 3.531 3.799 1.00 23.15 O ATOM 777 CB LYS A 52 6.226 5.184 4.859 1.00 31.15 C ATOM 778 CG LYS A 52 6.118 3.963 5.801 1.00 20.43 C ATOM 779 CD LYS A 52 5.452 2.722 5.179 1.00 21.31 C ATOM 780 CE LYS A 52 5.160 1.601 6.197 1.00 32.11 C ATOM 781 NZ LYS A 52 6.322 1.231 7.010 1.00 44.10 N ATOM 0 H LYS A 52 6.820 7.157 3.498 1.00 62.13 H new ATOM 0 HA LYS A 52 8.326 5.474 5.112 1.00 35.25 H new ATOM 0 HB2 LYS A 52 5.933 6.080 5.406 1.00 31.15 H new ATOM 0 HB3 LYS A 52 5.516 5.063 4.041 1.00 31.15 H new ATOM 0 HG2 LYS A 52 7.119 3.691 6.136 1.00 20.43 H new ATOM 0 HG3 LYS A 52 5.554 4.255 6.687 1.00 20.43 H new ATOM 0 HD2 LYS A 52 4.518 3.021 4.703 1.00 21.31 H new ATOM 0 HD3 LYS A 52 6.098 2.329 4.394 1.00 21.31 H new ATOM 0 HE2 LYS A 52 4.353 1.921 6.856 1.00 32.11 H new ATOM 0 HE3 LYS A 52 4.805 0.720 5.663 1.00 32.11 H new ATOM 0 HZ1 LYS A 52 6.214 0.253 7.345 1.00 44.10 H new ATOM 0 HZ2 LYS A 52 7.186 1.306 6.436 1.00 44.10 H new ATOM 0 HZ3 LYS A 52 6.392 1.871 7.827 1.00 44.10 H new ATOM 795 N VAL A 53 7.424 3.933 2.314 1.00 35.42 N ATOM 796 CA VAL A 53 7.633 2.703 1.565 1.00 33.22 C ATOM 797 C VAL A 53 8.987 2.734 0.843 1.00 23.34 C ATOM 798 O VAL A 53 9.609 1.680 0.685 1.00 1.22 O ATOM 799 CB VAL A 53 6.427 2.483 0.633 1.00 35.02 C ATOM 800 CG1 VAL A 53 6.485 3.332 -0.640 1.00 15.21 C ATOM 801 CG2 VAL A 53 6.296 1.010 0.288 1.00 40.24 C ATOM 0 H VAL A 53 6.719 4.551 1.912 1.00 35.42 H new ATOM 0 HA VAL A 53 7.686 1.843 2.233 1.00 33.22 H new ATOM 0 HB VAL A 53 5.542 2.811 1.179 1.00 35.02 H new ATOM 0 HG11 VAL A 53 5.607 3.130 -1.253 1.00 15.21 H new ATOM 0 HG12 VAL A 53 6.505 4.388 -0.372 1.00 15.21 H new ATOM 0 HG13 VAL A 53 7.385 3.083 -1.203 1.00 15.21 H new ATOM 0 HG21 VAL A 53 5.440 0.865 -0.371 1.00 40.24 H new ATOM 0 HG22 VAL A 53 7.202 0.672 -0.214 1.00 40.24 H new ATOM 0 HG23 VAL A 53 6.151 0.434 1.202 1.00 40.24 H new ATOM 811 N LEU A 54 9.438 3.916 0.401 1.00 11.13 N ATOM 812 CA LEU A 54 10.702 4.108 -0.299 1.00 41.51 C ATOM 813 C LEU A 54 11.851 3.878 0.675 1.00 73.42 C ATOM 814 O LEU A 54 12.759 3.106 0.368 1.00 4.51 O ATOM 815 CB LEU A 54 10.810 5.531 -0.887 1.00 32.12 C ATOM 816 CG LEU A 54 10.303 5.764 -2.324 1.00 71.43 C ATOM 817 CD1 LEU A 54 9.025 5.018 -2.702 1.00 53.51 C ATOM 818 CD2 LEU A 54 10.094 7.265 -2.547 1.00 44.12 C ATOM 0 H LEU A 54 8.916 4.783 0.527 1.00 11.13 H new ATOM 0 HA LEU A 54 10.750 3.395 -1.122 1.00 41.51 H new ATOM 0 HB2 LEU A 54 10.265 6.206 -0.228 1.00 32.12 H new ATOM 0 HB3 LEU A 54 11.858 5.828 -0.851 1.00 32.12 H new ATOM 0 HG LEU A 54 11.078 5.355 -2.972 1.00 71.43 H new ATOM 0 HD11 LEU A 54 8.758 5.253 -3.732 1.00 53.51 H new ATOM 0 HD12 LEU A 54 9.188 3.945 -2.605 1.00 53.51 H new ATOM 0 HD13 LEU A 54 8.216 5.323 -2.039 1.00 53.51 H new ATOM 0 HD21 LEU A 54 9.735 7.436 -3.562 1.00 44.12 H new ATOM 0 HD22 LEU A 54 9.359 7.640 -1.835 1.00 44.12 H new ATOM 0 HD23 LEU A 54 11.039 7.789 -2.403 1.00 44.12 H new ATOM 830 N GLY A 55 11.795 4.519 1.844 1.00 34.45 N ATOM 831 CA GLY A 55 12.762 4.327 2.908 1.00 52.42 C ATOM 832 C GLY A 55 12.833 2.860 3.300 1.00 74.44 C ATOM 833 O GLY A 55 13.916 2.274 3.310 1.00 2.51 O ATOM 0 H GLY A 55 11.065 5.193 2.074 1.00 34.45 H new ATOM 0 HA2 GLY A 55 13.744 4.671 2.582 1.00 52.42 H new ATOM 0 HA3 GLY A 55 12.484 4.928 3.774 1.00 52.42 H new ATOM 837 N ASP A 56 11.681 2.230 3.549 1.00 35.14 N ATOM 838 CA ASP A 56 11.630 0.813 3.906 1.00 53.10 C ATOM 839 C ASP A 56 12.130 -0.079 2.761 1.00 3.11 C ATOM 840 O ASP A 56 12.544 -1.203 3.019 1.00 21.44 O ATOM 841 CB ASP A 56 10.207 0.392 4.319 1.00 61.44 C ATOM 842 CG ASP A 56 9.880 0.636 5.786 1.00 44.40 C ATOM 843 OD1 ASP A 56 10.572 0.080 6.677 1.00 11.55 O ATOM 844 OD2 ASP A 56 8.878 1.313 6.095 1.00 43.30 O ATOM 0 H ASP A 56 10.768 2.684 3.509 1.00 35.14 H new ATOM 0 HA ASP A 56 12.295 0.677 4.759 1.00 53.10 H new ATOM 0 HB2 ASP A 56 9.488 0.933 3.704 1.00 61.44 H new ATOM 0 HB3 ASP A 56 10.077 -0.668 4.102 1.00 61.44 H new ATOM 849 N LEU A 57 12.078 0.355 1.490 1.00 0.54 N ATOM 850 CA LEU A 57 12.628 -0.413 0.371 1.00 1.14 C ATOM 851 C LEU A 57 14.140 -0.290 0.303 1.00 44.11 C ATOM 852 O LEU A 57 14.759 -1.146 -0.316 1.00 22.21 O ATOM 853 CB LEU A 57 12.088 0.051 -0.995 1.00 74.44 C ATOM 854 CG LEU A 57 10.820 -0.634 -1.528 1.00 75.22 C ATOM 855 CD1 LEU A 57 10.639 -0.118 -2.960 1.00 12.21 C ATOM 856 CD2 LEU A 57 10.877 -2.167 -1.547 1.00 60.02 C ATOM 0 H LEU A 57 11.656 1.242 1.216 1.00 0.54 H new ATOM 0 HA LEU A 57 12.322 -1.442 0.561 1.00 1.14 H new ATOM 0 HB2 LEU A 57 11.891 1.121 -0.932 1.00 74.44 H new ATOM 0 HB3 LEU A 57 12.879 -0.085 -1.733 1.00 74.44 H new ATOM 0 HG LEU A 57 9.992 -0.393 -0.861 1.00 75.22 H new ATOM 0 HD11 LEU A 57 9.749 -0.569 -3.400 1.00 12.21 H new ATOM 0 HD12 LEU A 57 10.526 0.966 -2.945 1.00 12.21 H new ATOM 0 HD13 LEU A 57 11.512 -0.384 -3.556 1.00 12.21 H new ATOM 0 HD21 LEU A 57 9.939 -2.561 -1.938 1.00 60.02 H new ATOM 0 HD22 LEU A 57 11.701 -2.493 -2.182 1.00 60.02 H new ATOM 0 HD23 LEU A 57 11.032 -2.538 -0.534 1.00 60.02 H new ATOM 868 N ASP A 58 14.730 0.782 0.833 1.00 11.21 N ATOM 869 CA ASP A 58 16.177 1.028 0.933 1.00 3.25 C ATOM 870 C ASP A 58 16.828 1.347 -0.419 1.00 35.23 C ATOM 871 O ASP A 58 17.993 1.737 -0.484 1.00 33.05 O ATOM 872 CB ASP A 58 16.819 -0.200 1.599 1.00 15.21 C ATOM 873 CG ASP A 58 18.164 -0.012 2.282 1.00 60.11 C ATOM 874 OD1 ASP A 58 18.382 1.006 2.979 1.00 74.30 O ATOM 875 OD2 ASP A 58 18.874 -1.046 2.354 1.00 35.44 O ATOM 0 H ASP A 58 14.184 1.548 1.228 1.00 11.21 H new ATOM 0 HA ASP A 58 16.343 1.918 1.539 1.00 3.25 H new ATOM 0 HB2 ASP A 58 16.118 -0.585 2.340 1.00 15.21 H new ATOM 0 HB3 ASP A 58 16.934 -0.972 0.838 1.00 15.21 H new ATOM 880 N GLY A 59 16.046 1.250 -1.496 1.00 14.13 N ATOM 881 CA GLY A 59 16.480 1.244 -2.888 1.00 75.34 C ATOM 882 C GLY A 59 16.367 -0.140 -3.540 1.00 64.02 C ATOM 883 O GLY A 59 17.193 -0.485 -4.386 1.00 21.01 O ATOM 0 H GLY A 59 15.033 1.169 -1.411 1.00 14.13 H new ATOM 0 HA2 GLY A 59 15.880 1.957 -3.454 1.00 75.34 H new ATOM 0 HA3 GLY A 59 17.514 1.583 -2.943 1.00 75.34 H new ATOM 887 N LYS A 60 15.397 -0.970 -3.137 1.00 22.15 N ATOM 888 CA LYS A 60 15.114 -2.249 -3.791 1.00 4.32 C ATOM 889 C LYS A 60 14.374 -2.121 -5.127 1.00 51.12 C ATOM 890 O LYS A 60 14.508 -3.027 -5.951 1.00 34.23 O ATOM 891 CB LYS A 60 14.321 -3.151 -2.843 1.00 1.11 C ATOM 892 CG LYS A 60 15.190 -4.205 -2.153 1.00 1.14 C ATOM 893 CD LYS A 60 14.369 -5.008 -1.136 1.00 0.52 C ATOM 894 CE LYS A 60 14.986 -6.369 -0.779 1.00 60.24 C ATOM 895 NZ LYS A 60 14.726 -7.422 -1.788 1.00 11.14 N ATOM 0 H LYS A 60 14.786 -0.771 -2.345 1.00 22.15 H new ATOM 0 HA LYS A 60 16.083 -2.690 -4.024 1.00 4.32 H new ATOM 0 HB2 LYS A 60 13.836 -2.535 -2.085 1.00 1.11 H new ATOM 0 HB3 LYS A 60 13.530 -3.650 -3.402 1.00 1.11 H new ATOM 0 HG2 LYS A 60 15.613 -4.878 -2.898 1.00 1.14 H new ATOM 0 HG3 LYS A 60 16.027 -3.720 -1.650 1.00 1.14 H new ATOM 0 HD2 LYS A 60 14.259 -4.419 -0.225 1.00 0.52 H new ATOM 0 HD3 LYS A 60 13.367 -5.167 -1.536 1.00 0.52 H new ATOM 0 HE2 LYS A 60 16.063 -6.250 -0.660 1.00 60.24 H new ATOM 0 HE3 LYS A 60 14.593 -6.695 0.184 1.00 60.24 H new ATOM 0 HZ1 LYS A 60 15.020 -8.345 -1.410 1.00 11.14 H new ATOM 0 HZ2 LYS A 60 13.710 -7.446 -2.011 1.00 11.14 H new ATOM 0 HZ3 LYS A 60 15.265 -7.215 -2.653 1.00 11.14 H new ATOM 909 N ARG A 61 13.524 -1.111 -5.333 1.00 55.33 N ATOM 910 CA ARG A 61 12.803 -0.876 -6.591 1.00 21.22 C ATOM 911 C ARG A 61 12.606 0.628 -6.751 1.00 43.22 C ATOM 912 O ARG A 61 12.370 1.299 -5.742 1.00 32.41 O ATOM 913 CB ARG A 61 11.416 -1.558 -6.622 1.00 20.14 C ATOM 914 CG ARG A 61 11.412 -3.067 -6.901 1.00 4.32 C ATOM 915 CD ARG A 61 12.076 -3.417 -8.238 1.00 24.25 C ATOM 916 NE ARG A 61 11.890 -4.833 -8.589 1.00 51.41 N ATOM 917 CZ ARG A 61 12.067 -5.365 -9.801 1.00 60.13 C ATOM 918 NH1 ARG A 61 12.395 -4.601 -10.841 1.00 55.52 N ATOM 919 NH2 ARG A 61 11.904 -6.674 -9.972 1.00 4.31 N ATOM 0 H ARG A 61 13.312 -0.418 -4.615 1.00 55.33 H new ATOM 0 HA ARG A 61 13.396 -1.302 -7.401 1.00 21.22 H new ATOM 0 HB2 ARG A 61 10.927 -1.385 -5.663 1.00 20.14 H new ATOM 0 HB3 ARG A 61 10.809 -1.067 -7.383 1.00 20.14 H new ATOM 0 HG2 ARG A 61 11.932 -3.584 -6.094 1.00 4.32 H new ATOM 0 HG3 ARG A 61 10.384 -3.430 -6.903 1.00 4.32 H new ATOM 0 HD2 ARG A 61 11.658 -2.790 -9.026 1.00 24.25 H new ATOM 0 HD3 ARG A 61 13.141 -3.193 -8.184 1.00 24.25 H new ATOM 0 HE ARG A 61 11.601 -5.464 -7.841 1.00 51.41 H new ATOM 0 HH11 ARG A 61 12.514 -3.596 -10.718 1.00 55.52 H new ATOM 0 HH12 ARG A 61 12.527 -5.021 -11.761 1.00 55.52 H new ATOM 0 HH21 ARG A 61 11.646 -7.263 -9.181 1.00 4.31 H new ATOM 0 HH22 ARG A 61 12.037 -7.088 -10.894 1.00 4.31 H new ATOM 933 N PRO A 62 12.629 1.146 -7.993 1.00 0.35 N ATOM 934 CA PRO A 62 12.590 2.576 -8.229 1.00 20.04 C ATOM 935 C PRO A 62 11.268 3.164 -7.777 1.00 75.44 C ATOM 936 O PRO A 62 10.208 2.599 -8.055 1.00 64.01 O ATOM 937 CB PRO A 62 12.760 2.763 -9.737 1.00 35.11 C ATOM 938 CG PRO A 62 12.385 1.416 -10.348 1.00 54.44 C ATOM 939 CD PRO A 62 12.727 0.415 -9.250 1.00 51.20 C ATOM 0 HA PRO A 62 13.374 3.085 -7.668 1.00 20.04 H new ATOM 0 HB2 PRO A 62 12.116 3.559 -10.111 1.00 35.11 H new ATOM 0 HB3 PRO A 62 13.785 3.038 -9.987 1.00 35.11 H new ATOM 0 HG2 PRO A 62 11.328 1.376 -10.612 1.00 54.44 H new ATOM 0 HG3 PRO A 62 12.949 1.219 -11.260 1.00 54.44 H new ATOM 0 HD2 PRO A 62 12.038 -0.430 -9.264 1.00 51.20 H new ATOM 0 HD3 PRO A 62 13.730 0.011 -9.389 1.00 51.20 H new ATOM 947 N GLU A 63 11.330 4.373 -7.224 1.00 31.05 N ATOM 948 CA GLU A 63 10.175 5.183 -6.871 1.00 20.42 C ATOM 949 C GLU A 63 9.143 5.183 -7.999 1.00 1.15 C ATOM 950 O GLU A 63 7.961 5.018 -7.715 1.00 11.15 O ATOM 951 CB GLU A 63 10.643 6.612 -6.559 1.00 73.43 C ATOM 952 CG GLU A 63 9.468 7.600 -6.446 1.00 54.41 C ATOM 953 CD GLU A 63 9.900 9.049 -6.239 1.00 75.20 C ATOM 954 OE1 GLU A 63 11.026 9.406 -6.666 1.00 73.40 O ATOM 955 OE2 GLU A 63 9.066 9.824 -5.736 1.00 55.23 O ATOM 0 H GLU A 63 12.216 4.827 -7.004 1.00 31.05 H new ATOM 0 HA GLU A 63 9.694 4.759 -5.989 1.00 20.42 H new ATOM 0 HB2 GLU A 63 11.206 6.612 -5.626 1.00 73.43 H new ATOM 0 HB3 GLU A 63 11.323 6.948 -7.341 1.00 73.43 H new ATOM 0 HG2 GLU A 63 8.864 7.536 -7.351 1.00 54.41 H new ATOM 0 HG3 GLU A 63 8.830 7.298 -5.615 1.00 54.41 H new ATOM 962 N ALA A 64 9.557 5.351 -9.253 1.00 0.25 N ATOM 963 CA ALA A 64 8.636 5.456 -10.372 1.00 55.33 C ATOM 964 C ALA A 64 7.764 4.205 -10.530 1.00 13.43 C ATOM 965 O ALA A 64 6.568 4.340 -10.802 1.00 53.44 O ATOM 966 CB ALA A 64 9.439 5.711 -11.646 1.00 64.42 C ATOM 0 H ALA A 64 10.540 5.418 -9.517 1.00 0.25 H new ATOM 0 HA ALA A 64 7.956 6.286 -10.180 1.00 55.33 H new ATOM 0 HB1 ALA A 64 8.759 5.792 -12.494 1.00 64.42 H new ATOM 0 HB2 ALA A 64 10.002 6.639 -11.542 1.00 64.42 H new ATOM 0 HB3 ALA A 64 10.130 4.884 -11.812 1.00 64.42 H new ATOM 972 N GLU A 65 8.327 3.006 -10.339 1.00 44.32 N ATOM 973 CA GLU A 65 7.557 1.774 -10.306 1.00 20.23 C ATOM 974 C GLU A 65 6.600 1.800 -9.110 1.00 1.12 C ATOM 975 O GLU A 65 5.420 1.479 -9.247 1.00 2.22 O ATOM 976 CB GLU A 65 8.536 0.589 -10.245 1.00 13.31 C ATOM 977 CG GLU A 65 7.788 -0.742 -10.259 1.00 55.54 C ATOM 978 CD GLU A 65 8.683 -1.975 -10.435 1.00 31.31 C ATOM 979 OE1 GLU A 65 9.932 -1.879 -10.441 1.00 0.32 O ATOM 980 OE2 GLU A 65 8.124 -3.089 -10.578 1.00 23.04 O ATOM 0 H GLU A 65 9.329 2.871 -10.204 1.00 44.32 H new ATOM 0 HA GLU A 65 6.948 1.668 -11.203 1.00 20.23 H new ATOM 0 HB2 GLU A 65 9.220 0.634 -11.092 1.00 13.31 H new ATOM 0 HB3 GLU A 65 9.142 0.660 -9.342 1.00 13.31 H new ATOM 0 HG2 GLU A 65 7.233 -0.842 -9.326 1.00 55.54 H new ATOM 0 HG3 GLU A 65 7.055 -0.723 -11.065 1.00 55.54 H new ATOM 987 N VAL A 66 7.098 2.220 -7.944 1.00 41.34 N ATOM 988 CA VAL A 66 6.334 2.309 -6.707 1.00 73.12 C ATOM 989 C VAL A 66 5.118 3.239 -6.867 1.00 64.24 C ATOM 990 O VAL A 66 4.040 2.865 -6.400 1.00 23.04 O ATOM 991 CB VAL A 66 7.269 2.716 -5.546 1.00 35.14 C ATOM 992 CG1 VAL A 66 6.515 2.814 -4.223 1.00 2.51 C ATOM 993 CG2 VAL A 66 8.419 1.714 -5.342 1.00 23.41 C ATOM 0 H VAL A 66 8.069 2.514 -7.837 1.00 41.34 H new ATOM 0 HA VAL A 66 5.922 1.330 -6.462 1.00 73.12 H new ATOM 0 HB VAL A 66 7.671 3.688 -5.830 1.00 35.14 H new ATOM 0 HG11 VAL A 66 7.206 3.102 -3.431 1.00 2.51 H new ATOM 0 HG12 VAL A 66 5.727 3.563 -4.308 1.00 2.51 H new ATOM 0 HG13 VAL A 66 6.072 1.847 -3.984 1.00 2.51 H new ATOM 0 HG21 VAL A 66 9.047 2.045 -4.515 1.00 23.41 H new ATOM 0 HG22 VAL A 66 8.008 0.730 -5.115 1.00 23.41 H new ATOM 0 HG23 VAL A 66 9.017 1.656 -6.252 1.00 23.41 H new ATOM 1003 N ARG A 67 5.245 4.397 -7.541 1.00 44.51 N ATOM 1004 CA ARG A 67 4.120 5.287 -7.830 1.00 73.24 C ATOM 1005 C ARG A 67 3.031 4.490 -8.526 1.00 13.52 C ATOM 1006 O ARG A 67 1.930 4.353 -8.002 1.00 2.42 O ATOM 1007 CB ARG A 67 4.517 6.452 -8.755 1.00 42.52 C ATOM 1008 CG ARG A 67 5.684 7.344 -8.351 1.00 74.24 C ATOM 1009 CD ARG A 67 5.552 7.918 -6.946 1.00 15.42 C ATOM 1010 NE ARG A 67 6.400 9.103 -6.751 1.00 72.40 N ATOM 1011 CZ ARG A 67 6.071 10.385 -6.926 1.00 24.14 C ATOM 1012 NH1 ARG A 67 4.816 10.779 -7.141 1.00 35.42 N ATOM 1013 NH2 ARG A 67 7.044 11.281 -6.892 1.00 53.22 N ATOM 0 H ARG A 67 6.137 4.737 -7.899 1.00 44.51 H new ATOM 0 HA ARG A 67 3.779 5.701 -6.881 1.00 73.24 H new ATOM 0 HB2 ARG A 67 4.746 6.033 -9.735 1.00 42.52 H new ATOM 0 HB3 ARG A 67 3.641 7.089 -8.878 1.00 42.52 H new ATOM 0 HG2 ARG A 67 6.609 6.770 -8.415 1.00 74.24 H new ATOM 0 HG3 ARG A 67 5.768 8.164 -9.064 1.00 74.24 H new ATOM 0 HD2 ARG A 67 4.511 8.183 -6.759 1.00 15.42 H new ATOM 0 HD3 ARG A 67 5.823 7.155 -6.216 1.00 15.42 H new ATOM 0 HE ARG A 67 7.356 8.924 -6.445 1.00 72.40 H new ATOM 0 HH11 ARG A 67 4.064 10.090 -7.177 1.00 35.42 H new ATOM 0 HH12 ARG A 67 4.607 11.769 -7.270 1.00 35.42 H new ATOM 0 HH21 ARG A 67 8.007 10.983 -6.736 1.00 53.22 H new ATOM 0 HH22 ARG A 67 6.831 12.270 -7.022 1.00 53.22 H new ATOM 1027 N ALA A 68 3.362 3.963 -9.704 1.00 52.14 N ATOM 1028 CA ALA A 68 2.432 3.255 -10.564 1.00 71.41 C ATOM 1029 C ALA A 68 1.767 2.090 -9.827 1.00 40.10 C ATOM 1030 O ALA A 68 0.553 1.917 -9.957 1.00 23.21 O ATOM 1031 CB ALA A 68 3.170 2.774 -11.811 1.00 34.42 C ATOM 0 H ALA A 68 4.305 4.021 -10.089 1.00 52.14 H new ATOM 0 HA ALA A 68 1.634 3.935 -10.862 1.00 71.41 H new ATOM 0 HB1 ALA A 68 2.476 2.241 -12.461 1.00 34.42 H new ATOM 0 HB2 ALA A 68 3.581 3.631 -12.344 1.00 34.42 H new ATOM 0 HB3 ALA A 68 3.980 2.106 -11.519 1.00 34.42 H new ATOM 1037 N LYS A 69 2.532 1.321 -9.036 1.00 55.24 N ATOM 1038 CA LYS A 69 1.999 0.196 -8.271 1.00 0.51 C ATOM 1039 C LYS A 69 0.933 0.654 -7.274 1.00 24.23 C ATOM 1040 O LYS A 69 0.021 -0.116 -6.970 1.00 55.24 O ATOM 1041 CB LYS A 69 3.113 -0.546 -7.517 1.00 55.13 C ATOM 1042 CG LYS A 69 2.698 -2.018 -7.325 1.00 3.11 C ATOM 1043 CD LYS A 69 3.200 -2.915 -8.457 1.00 14.21 C ATOM 1044 CE LYS A 69 2.748 -4.361 -8.259 1.00 61.33 C ATOM 1045 NZ LYS A 69 3.436 -5.255 -9.206 1.00 72.04 N ATOM 0 H LYS A 69 3.534 1.466 -8.913 1.00 55.24 H new ATOM 0 HA LYS A 69 1.543 -0.485 -8.990 1.00 0.51 H new ATOM 0 HB2 LYS A 69 4.048 -0.489 -8.075 1.00 55.13 H new ATOM 0 HB3 LYS A 69 3.290 -0.076 -6.550 1.00 55.13 H new ATOM 0 HG2 LYS A 69 3.089 -2.382 -6.375 1.00 3.11 H new ATOM 0 HG3 LYS A 69 1.611 -2.082 -7.268 1.00 3.11 H new ATOM 0 HD2 LYS A 69 2.828 -2.543 -9.412 1.00 14.21 H new ATOM 0 HD3 LYS A 69 4.288 -2.874 -8.501 1.00 14.21 H new ATOM 0 HE2 LYS A 69 2.957 -4.676 -7.237 1.00 61.33 H new ATOM 0 HE3 LYS A 69 1.670 -4.433 -8.401 1.00 61.33 H new ATOM 0 HZ1 LYS A 69 2.827 -6.071 -9.418 1.00 72.04 H new ATOM 0 HZ2 LYS A 69 3.641 -4.738 -10.085 1.00 72.04 H new ATOM 0 HZ3 LYS A 69 4.326 -5.588 -8.784 1.00 72.04 H new ATOM 1059 N TYR A 70 1.070 1.850 -6.698 1.00 34.05 N ATOM 1060 CA TYR A 70 0.133 2.389 -5.721 1.00 14.54 C ATOM 1061 C TYR A 70 -1.062 3.023 -6.432 1.00 64.00 C ATOM 1062 O TYR A 70 -2.200 2.628 -6.182 1.00 3.41 O ATOM 1063 CB TYR A 70 0.854 3.394 -4.813 1.00 0.12 C ATOM 1064 CG TYR A 70 0.069 3.826 -3.589 1.00 33.03 C ATOM 1065 CD1 TYR A 70 -0.508 2.868 -2.729 1.00 1.33 C ATOM 1066 CD2 TYR A 70 -0.061 5.194 -3.292 1.00 4.52 C ATOM 1067 CE1 TYR A 70 -1.181 3.277 -1.567 1.00 40.14 C ATOM 1068 CE2 TYR A 70 -0.756 5.606 -2.144 1.00 24.01 C ATOM 1069 CZ TYR A 70 -1.296 4.651 -1.262 1.00 33.32 C ATOM 1070 OH TYR A 70 -1.925 5.015 -0.116 1.00 11.15 O ATOM 0 H TYR A 70 1.848 2.477 -6.903 1.00 34.05 H new ATOM 0 HA TYR A 70 -0.248 1.583 -5.094 1.00 14.54 H new ATOM 0 HB2 TYR A 70 1.797 2.955 -4.486 1.00 0.12 H new ATOM 0 HB3 TYR A 70 1.101 4.279 -5.399 1.00 0.12 H new ATOM 0 HD1 TYR A 70 -0.432 1.817 -2.965 1.00 1.33 H new ATOM 0 HD2 TYR A 70 0.376 5.931 -3.950 1.00 4.52 H new ATOM 0 HE1 TYR A 70 -1.611 2.540 -0.905 1.00 40.14 H new ATOM 0 HE2 TYR A 70 -0.877 6.659 -1.937 1.00 24.01 H new ATOM 0 HH TYR A 70 -2.550 4.310 0.152 1.00 11.15 H new ATOM 1080 N GLU A 71 -0.799 3.936 -7.370 1.00 4.31 N ATOM 1081 CA GLU A 71 -1.772 4.644 -8.198 1.00 31.45 C ATOM 1082 C GLU A 71 -2.744 3.655 -8.846 1.00 23.45 C ATOM 1083 O GLU A 71 -3.964 3.844 -8.811 1.00 43.53 O ATOM 1084 CB GLU A 71 -1.027 5.426 -9.295 1.00 53.41 C ATOM 1085 CG GLU A 71 -0.255 6.661 -8.801 1.00 54.43 C ATOM 1086 CD GLU A 71 -1.153 7.900 -8.745 1.00 44.31 C ATOM 1087 OE1 GLU A 71 -1.394 8.537 -9.793 1.00 1.12 O ATOM 1088 OE2 GLU A 71 -1.631 8.252 -7.641 1.00 63.11 O ATOM 0 H GLU A 71 0.158 4.216 -7.583 1.00 4.31 H new ATOM 0 HA GLU A 71 -2.340 5.331 -7.570 1.00 31.45 H new ATOM 0 HB2 GLU A 71 -0.327 4.752 -9.789 1.00 53.41 H new ATOM 0 HB3 GLU A 71 -1.749 5.744 -10.048 1.00 53.41 H new ATOM 0 HG2 GLU A 71 0.155 6.463 -7.811 1.00 54.43 H new ATOM 0 HG3 GLU A 71 0.589 6.852 -9.463 1.00 54.43 H new ATOM 1095 N GLY A 72 -2.218 2.581 -9.442 1.00 34.41 N ATOM 1096 CA GLY A 72 -3.018 1.585 -10.142 1.00 3.23 C ATOM 1097 C GLY A 72 -3.914 0.788 -9.201 1.00 64.23 C ATOM 1098 O GLY A 72 -4.927 0.223 -9.632 1.00 42.20 O ATOM 0 H GLY A 72 -1.218 2.381 -9.450 1.00 34.41 H new ATOM 0 HA2 GLY A 72 -3.634 2.081 -10.892 1.00 3.23 H new ATOM 0 HA3 GLY A 72 -2.357 0.901 -10.674 1.00 3.23 H new ATOM 1102 N LEU A 73 -3.566 0.746 -7.916 1.00 73.40 N ATOM 1103 CA LEU A 73 -4.195 -0.144 -6.967 1.00 0.25 C ATOM 1104 C LEU A 73 -5.538 0.352 -6.488 1.00 60.44 C ATOM 1105 O LEU A 73 -6.250 -0.460 -5.918 1.00 40.10 O ATOM 1106 CB LEU A 73 -3.292 -0.375 -5.748 1.00 31.13 C ATOM 1107 CG LEU A 73 -3.238 -1.843 -5.289 1.00 23.15 C ATOM 1108 CD1 LEU A 73 -2.761 -2.818 -6.379 1.00 20.45 C ATOM 1109 CD2 LEU A 73 -2.184 -1.891 -4.188 1.00 73.31 C ATOM 0 H LEU A 73 -2.837 1.334 -7.512 1.00 73.40 H new ATOM 0 HA LEU A 73 -4.353 -1.080 -7.503 1.00 0.25 H new ATOM 0 HB2 LEU A 73 -2.282 -0.040 -5.986 1.00 31.13 H new ATOM 0 HB3 LEU A 73 -3.646 0.242 -4.922 1.00 31.13 H new ATOM 0 HG LEU A 73 -4.243 -2.143 -4.993 1.00 23.15 H new ATOM 0 HD11 LEU A 73 -2.750 -3.832 -5.980 1.00 20.45 H new ATOM 0 HD12 LEU A 73 -3.439 -2.771 -7.231 1.00 20.45 H new ATOM 0 HD13 LEU A 73 -1.756 -2.543 -6.699 1.00 20.45 H new ATOM 0 HD21 LEU A 73 -2.094 -2.911 -3.815 1.00 73.31 H new ATOM 0 HD22 LEU A 73 -1.224 -1.565 -4.589 1.00 73.31 H new ATOM 0 HD23 LEU A 73 -2.480 -1.231 -3.372 1.00 73.31 H new ATOM 1121 N MET A 74 -5.929 1.614 -6.691 1.00 14.24 N ATOM 1122 CA MET A 74 -7.239 2.063 -6.216 1.00 33.33 C ATOM 1123 C MET A 74 -8.348 1.198 -6.826 1.00 74.43 C ATOM 1124 O MET A 74 -9.204 0.686 -6.104 1.00 72.12 O ATOM 1125 CB MET A 74 -7.440 3.562 -6.472 1.00 74.34 C ATOM 1126 CG MET A 74 -8.819 4.015 -5.969 1.00 4.14 C ATOM 1127 SD MET A 74 -8.992 5.804 -5.758 1.00 22.43 S ATOM 1128 CE MET A 74 -8.251 5.986 -4.110 1.00 35.24 C ATOM 0 H MET A 74 -5.374 2.325 -7.168 1.00 14.24 H new ATOM 0 HA MET A 74 -7.288 1.934 -5.135 1.00 33.33 H new ATOM 0 HB2 MET A 74 -6.658 4.131 -5.969 1.00 74.34 H new ATOM 0 HB3 MET A 74 -7.349 3.770 -7.538 1.00 74.34 H new ATOM 0 HG2 MET A 74 -9.579 3.670 -6.670 1.00 4.14 H new ATOM 0 HG3 MET A 74 -9.021 3.528 -5.015 1.00 4.14 H new ATOM 0 HE1 MET A 74 -7.698 6.924 -4.061 1.00 35.24 H new ATOM 0 HE2 MET A 74 -9.038 5.989 -3.356 1.00 35.24 H new ATOM 0 HE3 MET A 74 -7.572 5.154 -3.923 1.00 35.24 H new ATOM 1138 N ALA A 75 -8.300 0.949 -8.138 1.00 54.22 N ATOM 1139 CA ALA A 75 -9.320 0.140 -8.796 1.00 71.34 C ATOM 1140 C ALA A 75 -9.232 -1.335 -8.369 1.00 0.21 C ATOM 1141 O ALA A 75 -10.256 -2.015 -8.291 1.00 52.41 O ATOM 1142 CB ALA A 75 -9.164 0.268 -10.315 1.00 55.03 C ATOM 0 H ALA A 75 -7.569 1.295 -8.759 1.00 54.22 H new ATOM 0 HA ALA A 75 -10.301 0.507 -8.496 1.00 71.34 H new ATOM 0 HB1 ALA A 75 -9.924 -0.335 -10.811 1.00 55.03 H new ATOM 0 HB2 ALA A 75 -9.282 1.312 -10.606 1.00 55.03 H new ATOM 0 HB3 ALA A 75 -8.175 -0.081 -10.610 1.00 55.03 H new ATOM 1148 N VAL A 76 -8.029 -1.861 -8.110 1.00 72.24 N ATOM 1149 CA VAL A 76 -7.846 -3.214 -7.571 1.00 53.14 C ATOM 1150 C VAL A 76 -8.457 -3.281 -6.176 1.00 72.54 C ATOM 1151 O VAL A 76 -9.176 -4.225 -5.863 1.00 12.31 O ATOM 1152 CB VAL A 76 -6.353 -3.604 -7.526 1.00 72.30 C ATOM 1153 CG1 VAL A 76 -6.156 -5.044 -7.040 1.00 22.01 C ATOM 1154 CG2 VAL A 76 -5.711 -3.467 -8.911 1.00 21.11 C ATOM 0 H VAL A 76 -7.154 -1.360 -8.268 1.00 72.24 H new ATOM 0 HA VAL A 76 -8.348 -3.925 -8.227 1.00 53.14 H new ATOM 0 HB VAL A 76 -5.874 -2.922 -6.823 1.00 72.30 H new ATOM 0 HG11 VAL A 76 -5.092 -5.280 -7.023 1.00 22.01 H new ATOM 0 HG12 VAL A 76 -6.567 -5.149 -6.036 1.00 22.01 H new ATOM 0 HG13 VAL A 76 -6.668 -5.729 -7.715 1.00 22.01 H new ATOM 0 HG21 VAL A 76 -4.659 -3.747 -8.854 1.00 21.11 H new ATOM 0 HG22 VAL A 76 -6.223 -4.122 -9.616 1.00 21.11 H new ATOM 0 HG23 VAL A 76 -5.793 -2.434 -9.250 1.00 21.11 H new ATOM 1164 N ALA A 77 -8.196 -2.267 -5.354 1.00 40.02 N ATOM 1165 CA ALA A 77 -8.610 -2.190 -3.977 1.00 31.33 C ATOM 1166 C ALA A 77 -10.119 -2.320 -3.901 1.00 74.40 C ATOM 1167 O ALA A 77 -10.605 -3.109 -3.102 1.00 71.14 O ATOM 1168 CB ALA A 77 -8.146 -0.882 -3.344 1.00 41.23 C ATOM 0 H ALA A 77 -7.667 -1.448 -5.653 1.00 40.02 H new ATOM 0 HA ALA A 77 -8.152 -3.006 -3.419 1.00 31.33 H new ATOM 0 HB1 ALA A 77 -8.470 -0.846 -2.304 1.00 41.23 H new ATOM 0 HB2 ALA A 77 -7.058 -0.822 -3.387 1.00 41.23 H new ATOM 0 HB3 ALA A 77 -8.577 -0.042 -3.888 1.00 41.23 H new ATOM 1174 N LYS A 78 -10.856 -1.588 -4.749 1.00 1.03 N ATOM 1175 CA LYS A 78 -12.310 -1.691 -4.777 1.00 33.14 C ATOM 1176 C LYS A 78 -12.740 -3.116 -5.078 1.00 53.10 C ATOM 1177 O LYS A 78 -13.548 -3.654 -4.329 1.00 4.22 O ATOM 1178 CB LYS A 78 -12.968 -0.756 -5.803 1.00 33.23 C ATOM 1179 CG LYS A 78 -12.574 0.720 -5.706 1.00 3.45 C ATOM 1180 CD LYS A 78 -13.626 1.655 -6.315 1.00 62.34 C ATOM 1181 CE LYS A 78 -14.123 1.208 -7.698 1.00 21.41 C ATOM 1182 NZ LYS A 78 -15.127 2.153 -8.228 1.00 0.31 N ATOM 0 H LYS A 78 -10.466 -0.924 -5.418 1.00 1.03 H new ATOM 0 HA LYS A 78 -12.645 -1.388 -3.785 1.00 33.14 H new ATOM 0 HB2 LYS A 78 -12.722 -1.114 -6.803 1.00 33.23 H new ATOM 0 HB3 LYS A 78 -14.050 -0.832 -5.695 1.00 33.23 H new ATOM 0 HG2 LYS A 78 -12.422 0.983 -4.659 1.00 3.45 H new ATOM 0 HG3 LYS A 78 -11.622 0.872 -6.214 1.00 3.45 H new ATOM 0 HD2 LYS A 78 -14.477 1.721 -5.637 1.00 62.34 H new ATOM 0 HD3 LYS A 78 -13.205 2.657 -6.396 1.00 62.34 H new ATOM 0 HE2 LYS A 78 -13.281 1.141 -8.387 1.00 21.41 H new ATOM 0 HE3 LYS A 78 -14.558 0.211 -7.628 1.00 21.41 H new ATOM 0 HZ1 LYS A 78 -15.448 1.830 -9.163 1.00 0.31 H new ATOM 0 HZ2 LYS A 78 -15.939 2.197 -7.579 1.00 0.31 H new ATOM 0 HZ3 LYS A 78 -14.702 3.098 -8.315 1.00 0.31 H new ATOM 1196 N ALA A 79 -12.220 -3.708 -6.156 1.00 32.11 N ATOM 1197 CA ALA A 79 -12.591 -5.055 -6.554 1.00 0.14 C ATOM 1198 C ALA A 79 -12.322 -6.036 -5.414 1.00 42.01 C ATOM 1199 O ALA A 79 -13.173 -6.868 -5.125 1.00 35.33 O ATOM 1200 CB ALA A 79 -11.842 -5.452 -7.828 1.00 72.50 C ATOM 0 H ALA A 79 -11.535 -3.265 -6.769 1.00 32.11 H new ATOM 0 HA ALA A 79 -13.659 -5.085 -6.771 1.00 0.14 H new ATOM 0 HB1 ALA A 79 -12.127 -6.463 -8.118 1.00 72.50 H new ATOM 0 HB2 ALA A 79 -12.096 -4.759 -8.630 1.00 72.50 H new ATOM 0 HB3 ALA A 79 -10.768 -5.416 -7.645 1.00 72.50 H new