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= 0.242 K(o=0.66,f=-1.3) USER MOD Set 1.2: A 70 TYR OH : rot -14:sc= 0.42 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -119:sc= 0 (180deg=-0.608) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.09) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.817 K(o=0.82,f=-0.37) USER MOD Single : A 32 TYR OH : rot 30:sc=-0.00718 USER MOD Single : A 50 MET CE :methyl 162:sc= -1.3 (180deg=-1.83!) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 2.02 (180deg=1.86) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 0.699 (180deg=0.696) USER MOD Single : A 69 LYS NZ :NH3+ -137:sc= 1.03 (180deg=0.0731) USER MOD Single : A 74 MET CE :methyl -169:sc= 0 (180deg=-0.169) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -12.367 1.836 1.283 1.00 53.54 N ATOM 85 CA ALA A 6 -11.384 1.917 0.234 1.00 45.15 C ATOM 86 C ALA A 6 -9.988 2.262 0.759 1.00 11.41 C ATOM 87 O ALA A 6 -9.019 1.882 0.095 1.00 25.22 O ATOM 88 CB ALA A 6 -11.849 2.954 -0.792 1.00 63.24 C ATOM 0 HA ALA A 6 -11.298 0.935 -0.232 1.00 45.15 H new ATOM 0 HB1 ALA A 6 -11.114 3.027 -1.594 1.00 63.24 H new ATOM 0 HB2 ALA A 6 -12.810 2.650 -1.207 1.00 63.24 H new ATOM 0 HB3 ALA A 6 -11.954 3.924 -0.307 1.00 63.24 H new ATOM 94 N GLU A 7 -9.854 2.977 1.888 1.00 30.21 N ATOM 95 CA GLU A 7 -8.539 3.426 2.378 1.00 70.31 C ATOM 96 C GLU A 7 -7.675 2.187 2.631 1.00 42.31 C ATOM 97 O GLU A 7 -6.632 1.973 2.009 1.00 2.34 O ATOM 98 CB GLU A 7 -8.666 4.372 3.623 1.00 21.22 C ATOM 99 CG GLU A 7 -8.513 3.732 5.018 1.00 32.34 C ATOM 100 CD GLU A 7 -8.833 4.640 6.197 1.00 11.34 C ATOM 101 OE1 GLU A 7 -8.177 5.691 6.345 1.00 34.44 O ATOM 102 OE2 GLU A 7 -9.665 4.212 7.033 1.00 11.53 O ATOM 0 H GLU A 7 -10.638 3.256 2.478 1.00 30.21 H new ATOM 0 HA GLU A 7 -8.046 4.041 1.624 1.00 70.31 H new ATOM 0 HB2 GLU A 7 -7.915 5.157 3.528 1.00 21.22 H new ATOM 0 HB3 GLU A 7 -9.641 4.857 3.580 1.00 21.22 H new ATOM 0 HG2 GLU A 7 -9.161 2.857 5.070 1.00 32.34 H new ATOM 0 HG3 GLU A 7 -7.488 3.376 5.124 1.00 32.34 H new ATOM 109 N ALA A 8 -8.146 1.308 3.514 1.00 52.52 N ATOM 110 CA ALA A 8 -7.236 0.374 4.139 1.00 35.30 C ATOM 111 C ALA A 8 -6.977 -0.798 3.200 1.00 12.14 C ATOM 112 O ALA A 8 -5.949 -1.458 3.343 1.00 75.41 O ATOM 113 CB ALA A 8 -7.748 -0.044 5.519 1.00 40.25 C ATOM 0 H ALA A 8 -9.122 1.229 3.801 1.00 52.52 H new ATOM 0 HA ALA A 8 -6.274 0.854 4.317 1.00 35.30 H new ATOM 0 HB1 ALA A 8 -7.047 -0.747 5.970 1.00 40.25 H new ATOM 0 HB2 ALA A 8 -7.839 0.836 6.155 1.00 40.25 H new ATOM 0 HB3 ALA A 8 -8.723 -0.520 5.416 1.00 40.25 H new ATOM 119 N ARG A 9 -7.852 -1.055 2.218 1.00 21.32 N ATOM 120 CA ARG A 9 -7.571 -2.059 1.199 1.00 1.14 C ATOM 121 C ARG A 9 -6.582 -1.530 0.172 1.00 72.14 C ATOM 122 O ARG A 9 -5.724 -2.298 -0.263 1.00 14.23 O ATOM 123 CB ARG A 9 -8.866 -2.563 0.543 1.00 50.35 C ATOM 124 CG ARG A 9 -8.665 -3.843 -0.286 1.00 14.34 C ATOM 125 CD ARG A 9 -8.014 -4.963 0.536 1.00 44.22 C ATOM 126 NE ARG A 9 -8.280 -6.289 -0.035 1.00 1.50 N ATOM 127 CZ ARG A 9 -9.127 -7.211 0.438 1.00 11.52 C ATOM 128 NH1 ARG A 9 -9.932 -6.950 1.468 1.00 31.44 N ATOM 129 NH2 ARG A 9 -9.148 -8.402 -0.137 1.00 70.25 N ATOM 0 H ARG A 9 -8.750 -0.583 2.113 1.00 21.32 H new ATOM 0 HA ARG A 9 -7.105 -2.916 1.686 1.00 1.14 H new ATOM 0 HB2 ARG A 9 -9.609 -2.752 1.318 1.00 50.35 H new ATOM 0 HB3 ARG A 9 -9.269 -1.780 -0.100 1.00 50.35 H new ATOM 0 HG2 ARG A 9 -9.628 -4.184 -0.665 1.00 14.34 H new ATOM 0 HG3 ARG A 9 -8.042 -3.620 -1.152 1.00 14.34 H new ATOM 0 HD2 ARG A 9 -6.938 -4.798 0.585 1.00 44.22 H new ATOM 0 HD3 ARG A 9 -8.389 -4.927 1.559 1.00 44.22 H new ATOM 0 HE ARG A 9 -7.765 -6.533 -0.881 1.00 1.50 H new ATOM 0 HH11 ARG A 9 -9.910 -6.032 1.912 1.00 31.44 H new ATOM 0 HH12 ARG A 9 -10.570 -7.668 1.812 1.00 31.44 H new ATOM 0 HH21 ARG A 9 -8.528 -8.600 -0.922 1.00 70.25 H new ATOM 0 HH22 ARG A 9 -9.784 -9.122 0.205 1.00 70.25 H new ATOM 143 N ARG A 10 -6.649 -0.239 -0.195 1.00 14.22 N ATOM 144 CA ARG A 10 -5.635 0.392 -1.047 1.00 43.22 C ATOM 145 C ARG A 10 -4.290 0.204 -0.355 1.00 24.33 C ATOM 146 O ARG A 10 -3.391 -0.432 -0.903 1.00 23.23 O ATOM 147 CB ARG A 10 -5.989 1.879 -1.314 1.00 1.23 C ATOM 148 CG ARG A 10 -5.064 2.557 -2.352 1.00 1.43 C ATOM 149 CD ARG A 10 -4.689 4.008 -2.009 1.00 10.11 C ATOM 150 NE ARG A 10 -5.841 4.920 -1.907 1.00 22.04 N ATOM 151 CZ ARG A 10 -5.769 6.246 -1.682 1.00 65.13 C ATOM 152 NH1 ARG A 10 -4.618 6.906 -1.674 1.00 21.10 N ATOM 153 NH2 ARG A 10 -6.870 6.940 -1.442 1.00 72.42 N ATOM 0 H ARG A 10 -7.401 0.389 0.089 1.00 14.22 H new ATOM 0 HA ARG A 10 -5.593 -0.071 -2.033 1.00 43.22 H new ATOM 0 HB2 ARG A 10 -7.020 1.942 -1.662 1.00 1.23 H new ATOM 0 HB3 ARG A 10 -5.935 2.431 -0.376 1.00 1.23 H new ATOM 0 HG2 ARG A 10 -4.150 1.970 -2.446 1.00 1.43 H new ATOM 0 HG3 ARG A 10 -5.555 2.541 -3.325 1.00 1.43 H new ATOM 0 HD2 ARG A 10 -4.147 4.018 -1.063 1.00 10.11 H new ATOM 0 HD3 ARG A 10 -4.007 4.385 -2.771 1.00 10.11 H new ATOM 0 HE ARG A 10 -6.770 4.514 -2.016 1.00 22.04 H new ATOM 0 HH11 ARG A 10 -3.744 6.408 -1.842 1.00 21.10 H new ATOM 0 HH12 ARG A 10 -4.608 7.911 -1.499 1.00 21.10 H new ATOM 0 HH21 ARG A 10 -7.776 6.471 -1.427 1.00 72.42 H new ATOM 0 HH22 ARG A 10 -6.813 7.944 -1.272 1.00 72.42 H new ATOM 167 N ASN A 11 -4.199 0.676 0.882 1.00 41.31 N ATOM 168 CA ASN A 11 -2.959 0.711 1.634 1.00 1.33 C ATOM 169 C ASN A 11 -2.452 -0.720 1.910 1.00 55.43 C ATOM 170 O ASN A 11 -1.294 -1.023 1.635 1.00 70.33 O ATOM 171 CB ASN A 11 -3.171 1.569 2.895 1.00 43.52 C ATOM 172 CG ASN A 11 -3.587 3.023 2.607 1.00 1.44 C ATOM 173 OD1 ASN A 11 -3.754 3.445 1.462 1.00 11.34 O ATOM 174 ND2 ASN A 11 -3.830 3.821 3.630 1.00 20.20 N ATOM 0 H ASN A 11 -4.998 1.050 1.395 1.00 41.31 H new ATOM 0 HA ASN A 11 -2.163 1.184 1.059 1.00 1.33 H new ATOM 0 HB2 ASN A 11 -3.935 1.100 3.515 1.00 43.52 H new ATOM 0 HB3 ASN A 11 -2.249 1.575 3.476 1.00 43.52 H new ATOM 0 HD21 ASN A 11 -4.152 4.775 3.467 1.00 20.20 H new ATOM 0 HD22 ASN A 11 -3.696 3.484 4.583 1.00 20.20 H new ATOM 181 N LYS A 12 -3.297 -1.652 2.383 1.00 15.33 N ATOM 182 CA LYS A 12 -2.900 -3.051 2.632 1.00 20.30 C ATOM 183 C LYS A 12 -2.328 -3.697 1.371 1.00 22.21 C ATOM 184 O LYS A 12 -1.255 -4.294 1.436 1.00 44.54 O ATOM 185 CB LYS A 12 -4.074 -3.893 3.186 1.00 22.41 C ATOM 186 CG LYS A 12 -3.670 -5.338 3.553 1.00 21.10 C ATOM 187 CD LYS A 12 -4.853 -6.260 3.911 1.00 51.24 C ATOM 188 CE LYS A 12 -4.288 -7.649 4.253 1.00 40.43 C ATOM 189 NZ LYS A 12 -5.291 -8.662 4.652 1.00 51.15 N ATOM 0 H LYS A 12 -4.274 -1.458 2.604 1.00 15.33 H new ATOM 0 HA LYS A 12 -2.119 -3.029 3.392 1.00 20.30 H new ATOM 0 HB2 LYS A 12 -4.479 -3.401 4.070 1.00 22.41 H new ATOM 0 HB3 LYS A 12 -4.872 -3.924 2.444 1.00 22.41 H new ATOM 0 HG2 LYS A 12 -3.126 -5.774 2.715 1.00 21.10 H new ATOM 0 HG3 LYS A 12 -2.982 -5.306 4.398 1.00 21.10 H new ATOM 0 HD2 LYS A 12 -5.408 -5.856 4.757 1.00 51.24 H new ATOM 0 HD3 LYS A 12 -5.550 -6.327 3.075 1.00 51.24 H new ATOM 0 HE2 LYS A 12 -3.743 -8.024 3.387 1.00 40.43 H new ATOM 0 HE3 LYS A 12 -3.566 -7.540 5.062 1.00 40.43 H new ATOM 0 HZ1 LYS A 12 -4.812 -9.561 4.861 1.00 51.15 H new ATOM 0 HZ2 LYS A 12 -5.798 -8.334 5.499 1.00 51.15 H new ATOM 0 HZ3 LYS A 12 -5.969 -8.804 3.876 1.00 51.15 H new ATOM 203 N LEU A 13 -3.030 -3.606 0.234 1.00 11.14 N ATOM 204 CA LEU A 13 -2.595 -4.282 -0.987 1.00 13.40 C ATOM 205 C LEU A 13 -1.224 -3.802 -1.436 1.00 33.22 C ATOM 206 O LEU A 13 -0.454 -4.615 -1.954 1.00 71.03 O ATOM 207 CB LEU A 13 -3.590 -4.084 -2.140 1.00 3.42 C ATOM 208 CG LEU A 13 -4.809 -5.007 -2.108 1.00 63.01 C ATOM 209 CD1 LEU A 13 -5.756 -4.561 -3.228 1.00 72.22 C ATOM 210 CD2 LEU A 13 -4.382 -6.464 -2.323 1.00 41.32 C ATOM 0 H LEU A 13 -3.895 -3.074 0.138 1.00 11.14 H new ATOM 0 HA LEU A 13 -2.544 -5.343 -0.740 1.00 13.40 H new ATOM 0 HB2 LEU A 13 -3.935 -3.050 -2.128 1.00 3.42 H new ATOM 0 HB3 LEU A 13 -3.064 -4.234 -3.083 1.00 3.42 H new ATOM 0 HG LEU A 13 -5.306 -4.947 -1.140 1.00 63.01 H new ATOM 0 HD11 LEU A 13 -6.639 -5.200 -3.234 1.00 72.22 H new ATOM 0 HD12 LEU A 13 -6.057 -3.527 -3.059 1.00 72.22 H new ATOM 0 HD13 LEU A 13 -5.246 -4.638 -4.188 1.00 72.22 H new ATOM 0 HD21 LEU A 13 -5.261 -7.108 -2.297 1.00 41.32 H new ATOM 0 HD22 LEU A 13 -3.890 -6.560 -3.291 1.00 41.32 H new ATOM 0 HD23 LEU A 13 -3.691 -6.761 -1.534 1.00 41.32 H new ATOM 222 N MET A 14 -0.920 -2.510 -1.266 1.00 45.25 N ATOM 223 CA MET A 14 0.396 -1.996 -1.570 1.00 64.13 C ATOM 224 C MET A 14 1.425 -2.726 -0.719 1.00 43.52 C ATOM 225 O MET A 14 2.370 -3.312 -1.249 1.00 24.34 O ATOM 226 CB MET A 14 0.398 -0.488 -1.318 1.00 72.41 C ATOM 227 CG MET A 14 1.773 0.104 -1.591 1.00 74.22 C ATOM 228 SD MET A 14 2.301 -0.114 -3.301 1.00 32.00 S ATOM 229 CE MET A 14 3.814 0.832 -3.132 1.00 1.42 C ATOM 0 H MET A 14 -1.576 -1.811 -0.919 1.00 45.25 H new ATOM 0 HA MET A 14 0.657 -2.165 -2.615 1.00 64.13 H new ATOM 0 HB2 MET A 14 -0.343 -0.007 -1.956 1.00 72.41 H new ATOM 0 HB3 MET A 14 0.109 -0.287 -0.287 1.00 72.41 H new ATOM 0 HG2 MET A 14 1.759 1.168 -1.353 1.00 74.22 H new ATOM 0 HG3 MET A 14 2.502 -0.362 -0.928 1.00 74.22 H new ATOM 0 HE1 MET A 14 3.786 1.686 -3.808 1.00 1.42 H new ATOM 0 HE2 MET A 14 3.910 1.185 -2.105 1.00 1.42 H new ATOM 0 HE3 MET A 14 4.667 0.201 -3.380 1.00 1.42 H new ATOM 239 N GLY A 15 1.198 -2.749 0.595 1.00 14.24 N ATOM 240 CA GLY A 15 2.083 -3.404 1.535 1.00 44.44 C ATOM 241 C GLY A 15 2.383 -4.850 1.167 1.00 53.31 C ATOM 242 O GLY A 15 3.508 -5.286 1.359 1.00 23.43 O ATOM 0 H GLY A 15 0.388 -2.309 1.031 1.00 14.24 H new ATOM 0 HA2 GLY A 15 3.019 -2.848 1.591 1.00 44.44 H new ATOM 0 HA3 GLY A 15 1.635 -3.374 2.528 1.00 44.44 H new ATOM 246 N LEU A 16 1.426 -5.588 0.607 1.00 53.14 N ATOM 247 CA LEU A 16 1.642 -6.974 0.214 1.00 1.40 C ATOM 248 C LEU A 16 2.608 -7.098 -0.975 1.00 14.32 C ATOM 249 O LEU A 16 3.499 -7.949 -0.924 1.00 3.12 O ATOM 250 CB LEU A 16 0.286 -7.636 -0.059 1.00 61.15 C ATOM 251 CG LEU A 16 -0.515 -7.910 1.233 1.00 53.33 C ATOM 252 CD1 LEU A 16 -1.961 -8.241 0.869 1.00 74.35 C ATOM 253 CD2 LEU A 16 0.062 -9.068 2.058 1.00 34.20 C ATOM 0 H LEU A 16 0.486 -5.242 0.415 1.00 53.14 H new ATOM 0 HA LEU A 16 2.128 -7.502 1.034 1.00 1.40 H new ATOM 0 HB2 LEU A 16 -0.301 -6.994 -0.716 1.00 61.15 H new ATOM 0 HB3 LEU A 16 0.445 -8.575 -0.589 1.00 61.15 H new ATOM 0 HG LEU A 16 -0.456 -7.008 1.843 1.00 53.33 H new ATOM 0 HD11 LEU A 16 -2.530 -8.435 1.778 1.00 74.35 H new ATOM 0 HD12 LEU A 16 -2.404 -7.399 0.337 1.00 74.35 H new ATOM 0 HD13 LEU A 16 -1.983 -9.125 0.232 1.00 74.35 H new ATOM 0 HD21 LEU A 16 -0.542 -9.213 2.953 1.00 34.20 H new ATOM 0 HD22 LEU A 16 0.052 -9.980 1.461 1.00 34.20 H new ATOM 0 HD23 LEU A 16 1.087 -8.834 2.346 1.00 34.20 H new ATOM 265 N TRP A 17 2.496 -6.249 -2.010 1.00 44.11 N ATOM 266 CA TRP A 17 3.475 -6.244 -3.109 1.00 33.15 C ATOM 267 C TRP A 17 4.864 -5.933 -2.557 1.00 41.43 C ATOM 268 O TRP A 17 5.838 -6.598 -2.902 1.00 50.41 O ATOM 269 CB TRP A 17 3.106 -5.234 -4.212 1.00 10.04 C ATOM 270 CG TRP A 17 4.150 -5.060 -5.286 1.00 70.54 C ATOM 271 CD1 TRP A 17 4.328 -5.867 -6.355 1.00 52.22 C ATOM 272 CD2 TRP A 17 5.185 -4.036 -5.414 1.00 10.02 C ATOM 273 NE1 TRP A 17 5.399 -5.432 -7.116 1.00 34.54 N ATOM 274 CE2 TRP A 17 5.955 -4.291 -6.585 1.00 63.54 C ATOM 275 CE3 TRP A 17 5.520 -2.878 -4.686 1.00 21.51 C ATOM 276 CZ2 TRP A 17 6.993 -3.444 -7.005 1.00 50.01 C ATOM 277 CZ3 TRP A 17 6.561 -2.023 -5.087 1.00 1.41 C ATOM 278 CH2 TRP A 17 7.298 -2.301 -6.251 1.00 12.42 C ATOM 0 H TRP A 17 1.746 -5.565 -2.109 1.00 44.11 H new ATOM 0 HA TRP A 17 3.469 -7.235 -3.563 1.00 33.15 H new ATOM 0 HB2 TRP A 17 2.174 -5.552 -4.679 1.00 10.04 H new ATOM 0 HB3 TRP A 17 2.916 -4.265 -3.749 1.00 10.04 H new ATOM 0 HD1 TRP A 17 3.720 -6.730 -6.583 1.00 52.22 H new ATOM 0 HE1 TRP A 17 5.733 -5.897 -7.960 1.00 34.54 H new ATOM 0 HE3 TRP A 17 4.961 -2.640 -3.793 1.00 21.51 H new ATOM 0 HZ2 TRP A 17 7.552 -3.670 -7.901 1.00 50.01 H new ATOM 0 HZ3 TRP A 17 6.796 -1.149 -4.498 1.00 1.41 H new ATOM 0 HH2 TRP A 17 8.093 -1.640 -6.563 1.00 12.42 H new ATOM 289 N VAL A 18 4.955 -4.923 -1.696 1.00 65.52 N ATOM 290 CA VAL A 18 6.210 -4.491 -1.110 1.00 61.43 C ATOM 291 C VAL A 18 6.807 -5.614 -0.260 1.00 50.21 C ATOM 292 O VAL A 18 7.981 -5.923 -0.412 1.00 51.31 O ATOM 293 CB VAL A 18 5.956 -3.229 -0.288 1.00 11.22 C ATOM 294 CG1 VAL A 18 7.214 -2.769 0.439 1.00 74.40 C ATOM 295 CG2 VAL A 18 5.433 -2.063 -1.135 1.00 63.23 C ATOM 0 H VAL A 18 4.149 -4.380 -1.386 1.00 65.52 H new ATOM 0 HA VAL A 18 6.935 -4.259 -1.890 1.00 61.43 H new ATOM 0 HB VAL A 18 5.189 -3.507 0.435 1.00 11.22 H new ATOM 0 HG11 VAL A 18 6.994 -1.869 1.013 1.00 74.40 H new ATOM 0 HG12 VAL A 18 7.553 -3.556 1.113 1.00 74.40 H new ATOM 0 HG13 VAL A 18 7.996 -2.553 -0.289 1.00 74.40 H new ATOM 0 HG21 VAL A 18 5.271 -1.194 -0.497 1.00 63.23 H new ATOM 0 HG22 VAL A 18 6.164 -1.817 -1.905 1.00 63.23 H new ATOM 0 HG23 VAL A 18 4.492 -2.348 -1.605 1.00 63.23 H new ATOM 305 N ALA A 19 6.028 -6.234 0.625 1.00 34.23 N ATOM 306 CA ALA A 19 6.471 -7.328 1.476 1.00 51.40 C ATOM 307 C ALA A 19 7.072 -8.443 0.616 1.00 43.14 C ATOM 308 O ALA A 19 8.167 -8.916 0.906 1.00 11.42 O ATOM 309 CB ALA A 19 5.283 -7.811 2.312 1.00 62.24 C ATOM 0 H ALA A 19 5.051 -5.981 0.771 1.00 34.23 H new ATOM 0 HA ALA A 19 7.253 -6.996 2.159 1.00 51.40 H new ATOM 0 HB1 ALA A 19 5.600 -8.632 2.955 1.00 62.24 H new ATOM 0 HB2 ALA A 19 4.913 -6.990 2.927 1.00 62.24 H new ATOM 0 HB3 ALA A 19 4.488 -8.155 1.650 1.00 62.24 H new ATOM 315 N GLU A 20 6.417 -8.790 -0.493 1.00 52.02 N ATOM 316 CA GLU A 20 6.899 -9.766 -1.462 1.00 43.31 C ATOM 317 C GLU A 20 8.236 -9.338 -2.097 1.00 4.31 C ATOM 318 O GLU A 20 9.140 -10.164 -2.231 1.00 43.33 O ATOM 319 CB GLU A 20 5.770 -9.976 -2.480 1.00 1.43 C ATOM 320 CG GLU A 20 6.149 -10.770 -3.730 1.00 30.25 C ATOM 321 CD GLU A 20 4.905 -10.956 -4.599 1.00 24.23 C ATOM 322 OE1 GLU A 20 4.005 -11.749 -4.239 1.00 22.41 O ATOM 323 OE2 GLU A 20 4.757 -10.255 -5.627 1.00 21.35 O ATOM 0 H GLU A 20 5.514 -8.388 -0.745 1.00 52.02 H new ATOM 0 HA GLU A 20 7.132 -10.716 -0.981 1.00 43.31 H new ATOM 0 HB2 GLU A 20 4.946 -10.487 -1.982 1.00 1.43 H new ATOM 0 HB3 GLU A 20 5.398 -9.000 -2.790 1.00 1.43 H new ATOM 0 HG2 GLU A 20 6.923 -10.245 -4.289 1.00 30.25 H new ATOM 0 HG3 GLU A 20 6.561 -11.740 -3.450 1.00 30.25 H new ATOM 330 N VAL A 21 8.397 -8.062 -2.455 1.00 30.21 N ATOM 331 CA VAL A 21 9.649 -7.488 -2.957 1.00 50.12 C ATOM 332 C VAL A 21 10.763 -7.526 -1.892 1.00 32.11 C ATOM 333 O VAL A 21 11.938 -7.694 -2.223 1.00 30.43 O ATOM 334 CB VAL A 21 9.364 -6.045 -3.444 1.00 70.34 C ATOM 335 CG1 VAL A 21 10.613 -5.182 -3.659 1.00 31.11 C ATOM 336 CG2 VAL A 21 8.579 -6.045 -4.763 1.00 2.45 C ATOM 0 H VAL A 21 7.640 -7.380 -2.403 1.00 30.21 H new ATOM 0 HA VAL A 21 10.015 -8.086 -3.792 1.00 50.12 H new ATOM 0 HB VAL A 21 8.786 -5.607 -2.630 1.00 70.34 H new ATOM 0 HG11 VAL A 21 10.316 -4.190 -3.999 1.00 31.11 H new ATOM 0 HG12 VAL A 21 11.161 -5.095 -2.721 1.00 31.11 H new ATOM 0 HG13 VAL A 21 11.252 -5.647 -4.410 1.00 31.11 H new ATOM 0 HG21 VAL A 21 8.395 -5.018 -5.077 1.00 2.45 H new ATOM 0 HG22 VAL A 21 9.156 -6.561 -5.530 1.00 2.45 H new ATOM 0 HG23 VAL A 21 7.627 -6.556 -4.620 1.00 2.45 H new ATOM 346 N LEU A 22 10.408 -7.344 -0.616 1.00 64.44 N ATOM 347 CA LEU A 22 11.306 -7.458 0.533 1.00 60.13 C ATOM 348 C LEU A 22 11.585 -8.928 0.875 1.00 63.23 C ATOM 349 O LEU A 22 12.438 -9.202 1.721 1.00 11.44 O ATOM 350 CB LEU A 22 10.696 -6.724 1.748 1.00 31.22 C ATOM 351 CG LEU A 22 11.102 -5.243 1.882 1.00 43.12 C ATOM 352 CD1 LEU A 22 10.810 -4.392 0.644 1.00 5.03 C ATOM 353 CD2 LEU A 22 10.354 -4.604 3.056 1.00 51.12 C ATOM 0 H LEU A 22 9.453 -7.105 -0.348 1.00 64.44 H new ATOM 0 HA LEU A 22 12.257 -6.992 0.276 1.00 60.13 H new ATOM 0 HB2 LEU A 22 9.610 -6.783 1.682 1.00 31.22 H new ATOM 0 HB3 LEU A 22 10.989 -7.250 2.657 1.00 31.22 H new ATOM 0 HG LEU A 22 12.182 -5.257 2.030 1.00 43.12 H new ATOM 0 HD11 LEU A 22 11.127 -3.365 0.825 1.00 5.03 H new ATOM 0 HD12 LEU A 22 11.354 -4.794 -0.211 1.00 5.03 H new ATOM 0 HD13 LEU A 22 9.741 -4.410 0.434 1.00 5.03 H new ATOM 0 HD21 LEU A 22 10.645 -3.557 3.146 1.00 51.12 H new ATOM 0 HD22 LEU A 22 9.280 -4.669 2.882 1.00 51.12 H new ATOM 0 HD23 LEU A 22 10.604 -5.131 3.977 1.00 51.12 H new ATOM 365 N GLY A 23 10.895 -9.883 0.244 1.00 20.21 N ATOM 366 CA GLY A 23 11.014 -11.299 0.558 1.00 43.34 C ATOM 367 C GLY A 23 10.348 -11.661 1.888 1.00 15.45 C ATOM 368 O GLY A 23 10.521 -12.784 2.360 1.00 71.11 O ATOM 0 H GLY A 23 10.233 -9.686 -0.506 1.00 20.21 H new ATOM 0 HA2 GLY A 23 10.562 -11.885 -0.242 1.00 43.34 H new ATOM 0 HA3 GLY A 23 12.068 -11.572 0.597 1.00 43.34 H new ATOM 372 N LYS A 24 9.602 -10.744 2.520 1.00 32.41 N ATOM 373 CA LYS A 24 8.799 -11.059 3.699 1.00 0.11 C ATOM 374 C LYS A 24 7.749 -12.086 3.291 1.00 34.13 C ATOM 375 O LYS A 24 7.265 -12.076 2.153 1.00 21.51 O ATOM 376 CB LYS A 24 8.089 -9.814 4.243 1.00 23.03 C ATOM 377 CG LYS A 24 8.998 -8.770 4.905 1.00 0.43 C ATOM 378 CD LYS A 24 8.184 -7.513 5.263 1.00 2.45 C ATOM 379 CE LYS A 24 8.986 -6.463 6.056 1.00 74.43 C ATOM 380 NZ LYS A 24 9.466 -6.965 7.358 1.00 43.20 N ATOM 0 H LYS A 24 9.541 -9.769 2.226 1.00 32.41 H new ATOM 0 HA LYS A 24 9.453 -11.444 4.481 1.00 0.11 H new ATOM 0 HB2 LYS A 24 7.553 -9.336 3.423 1.00 23.03 H new ATOM 0 HB3 LYS A 24 7.342 -10.132 4.970 1.00 23.03 H new ATOM 0 HG2 LYS A 24 9.451 -9.188 5.804 1.00 0.43 H new ATOM 0 HG3 LYS A 24 9.813 -8.506 4.231 1.00 0.43 H new ATOM 0 HD2 LYS A 24 7.813 -7.057 4.345 1.00 2.45 H new ATOM 0 HD3 LYS A 24 7.312 -7.809 5.847 1.00 2.45 H new ATOM 0 HE2 LYS A 24 9.840 -6.141 5.460 1.00 74.43 H new ATOM 0 HE3 LYS A 24 8.362 -5.585 6.220 1.00 74.43 H new ATOM 0 HZ1 LYS A 24 9.939 -6.196 7.874 1.00 43.20 H new ATOM 0 HZ2 LYS A 24 8.659 -7.311 7.916 1.00 43.20 H new ATOM 0 HZ3 LYS A 24 10.139 -7.743 7.204 1.00 43.20 H new ATOM 394 N SER A 25 7.356 -12.927 4.238 1.00 42.14 N ATOM 395 CA SER A 25 6.451 -14.040 3.993 1.00 1.44 C ATOM 396 C SER A 25 5.648 -14.314 5.252 1.00 13.23 C ATOM 397 O SER A 25 6.037 -13.886 6.344 1.00 55.50 O ATOM 398 CB SER A 25 7.268 -15.280 3.612 1.00 15.25 C ATOM 399 OG SER A 25 7.965 -15.073 2.399 1.00 61.12 O ATOM 0 H SER A 25 7.661 -12.854 5.209 1.00 42.14 H new ATOM 0 HA SER A 25 5.770 -13.796 3.178 1.00 1.44 H new ATOM 0 HB2 SER A 25 7.976 -15.512 4.408 1.00 15.25 H new ATOM 0 HB3 SER A 25 6.606 -16.140 3.513 1.00 15.25 H new ATOM 0 HG SER A 25 8.480 -15.876 2.177 1.00 61.12 H new ATOM 405 N GLY A 26 4.567 -15.076 5.107 1.00 74.24 N ATOM 406 CA GLY A 26 3.649 -15.392 6.186 1.00 44.24 C ATOM 407 C GLY A 26 3.196 -14.118 6.884 1.00 24.04 C ATOM 408 O GLY A 26 2.799 -13.141 6.246 1.00 64.10 O ATOM 0 H GLY A 26 4.304 -15.497 4.216 1.00 74.24 H new ATOM 0 HA2 GLY A 26 2.784 -15.926 5.792 1.00 44.24 H new ATOM 0 HA3 GLY A 26 4.134 -16.055 6.903 1.00 44.24 H new ATOM 412 N ASP A 27 3.240 -14.122 8.209 1.00 4.15 N ATOM 413 CA ASP A 27 2.619 -13.069 8.992 1.00 1.45 C ATOM 414 C ASP A 27 3.426 -11.779 9.035 1.00 3.14 C ATOM 415 O ASP A 27 2.853 -10.722 9.275 1.00 53.22 O ATOM 416 CB ASP A 27 2.284 -13.561 10.395 1.00 23.15 C ATOM 417 CG ASP A 27 0.772 -13.714 10.520 1.00 21.13 C ATOM 418 OD1 ASP A 27 0.050 -12.719 10.287 1.00 1.50 O ATOM 419 OD2 ASP A 27 0.304 -14.852 10.733 1.00 42.22 O ATOM 0 H ASP A 27 3.700 -14.845 8.762 1.00 4.15 H new ATOM 0 HA ASP A 27 1.692 -12.817 8.478 1.00 1.45 H new ATOM 0 HB2 ASP A 27 2.776 -14.515 10.587 1.00 23.15 H new ATOM 0 HB3 ASP A 27 2.654 -12.856 11.139 1.00 23.15 H new ATOM 424 N GLU A 28 4.722 -11.833 8.732 1.00 51.52 N ATOM 425 CA GLU A 28 5.540 -10.663 8.431 1.00 0.31 C ATOM 426 C GLU A 28 4.901 -9.849 7.300 1.00 51.51 C ATOM 427 O GLU A 28 4.749 -8.634 7.403 1.00 41.11 O ATOM 428 CB GLU A 28 6.959 -11.130 8.061 1.00 72.24 C ATOM 429 CG GLU A 28 7.982 -10.879 9.165 1.00 64.10 C ATOM 430 CD GLU A 28 8.411 -9.410 9.278 1.00 32.03 C ATOM 431 OE1 GLU A 28 7.730 -8.524 8.721 1.00 51.10 O ATOM 432 OE2 GLU A 28 9.481 -9.130 9.864 1.00 2.24 O ATOM 0 H GLU A 28 5.242 -12.710 8.688 1.00 51.52 H new ATOM 0 HA GLU A 28 5.603 -10.013 9.304 1.00 0.31 H new ATOM 0 HB2 GLU A 28 6.936 -12.195 7.832 1.00 72.24 H new ATOM 0 HB3 GLU A 28 7.279 -10.616 7.155 1.00 72.24 H new ATOM 0 HG2 GLU A 28 7.563 -11.201 10.118 1.00 64.10 H new ATOM 0 HG3 GLU A 28 8.863 -11.494 8.980 1.00 64.10 H new ATOM 439 N ALA A 29 4.432 -10.509 6.236 1.00 13.23 N ATOM 440 CA ALA A 29 3.791 -9.819 5.120 1.00 23.33 C ATOM 441 C ALA A 29 2.439 -9.198 5.512 1.00 60.03 C ATOM 442 O ALA A 29 1.979 -8.261 4.861 1.00 13.50 O ATOM 443 CB ALA A 29 3.641 -10.787 3.941 1.00 75.31 C ATOM 0 H ALA A 29 4.486 -11.522 6.127 1.00 13.23 H new ATOM 0 HA ALA A 29 4.430 -8.987 4.823 1.00 23.33 H new ATOM 0 HB1 ALA A 29 3.163 -10.273 3.107 1.00 75.31 H new ATOM 0 HB2 ALA A 29 4.625 -11.141 3.633 1.00 75.31 H new ATOM 0 HB3 ALA A 29 3.029 -11.636 4.243 1.00 75.31 H new ATOM 449 N ASN A 30 1.813 -9.677 6.590 1.00 22.44 N ATOM 450 CA ASN A 30 0.582 -9.109 7.145 1.00 52.32 C ATOM 451 C ASN A 30 0.964 -7.911 8.008 1.00 23.44 C ATOM 452 O ASN A 30 0.365 -6.842 7.888 1.00 51.21 O ATOM 453 CB ASN A 30 -0.206 -10.106 8.024 1.00 13.44 C ATOM 454 CG ASN A 30 -1.104 -11.083 7.280 1.00 32.02 C ATOM 455 OD1 ASN A 30 -1.812 -10.714 6.345 1.00 34.23 O ATOM 456 ND2 ASN A 30 -1.170 -12.325 7.721 1.00 64.42 N ATOM 0 H ASN A 30 2.154 -10.485 7.111 1.00 22.44 H new ATOM 0 HA ASN A 30 -0.061 -8.835 6.308 1.00 52.32 H new ATOM 0 HB2 ASN A 30 0.506 -10.678 8.618 1.00 13.44 H new ATOM 0 HB3 ASN A 30 -0.820 -9.538 8.722 1.00 13.44 H new ATOM 0 HD21 ASN A 30 -1.812 -12.987 7.286 1.00 64.42 H new ATOM 0 HD22 ASN A 30 -0.579 -12.623 8.497 1.00 64.42 H new ATOM 463 N ALA A 31 1.951 -8.088 8.893 1.00 13.52 N ATOM 464 CA ALA A 31 2.459 -7.069 9.800 1.00 40.14 C ATOM 465 C ALA A 31 2.890 -5.839 9.005 1.00 72.32 C ATOM 466 O ALA A 31 2.383 -4.745 9.248 1.00 72.22 O ATOM 467 CB ALA A 31 3.615 -7.640 10.631 1.00 11.14 C ATOM 0 H ALA A 31 2.432 -8.981 8.996 1.00 13.52 H new ATOM 0 HA ALA A 31 1.672 -6.764 10.490 1.00 40.14 H new ATOM 0 HB1 ALA A 31 3.991 -6.872 11.308 1.00 11.14 H new ATOM 0 HB2 ALA A 31 3.260 -8.492 11.210 1.00 11.14 H new ATOM 0 HB3 ALA A 31 4.417 -7.962 9.966 1.00 11.14 H new ATOM 473 N TYR A 32 3.736 -6.028 7.992 1.00 61.40 N ATOM 474 CA TYR A 32 4.195 -4.936 7.147 1.00 22.44 C ATOM 475 C TYR A 32 3.016 -4.211 6.496 1.00 24.30 C ATOM 476 O TYR A 32 2.949 -2.980 6.484 1.00 31.00 O ATOM 477 CB TYR A 32 5.170 -5.449 6.086 1.00 33.42 C ATOM 478 CG TYR A 32 5.668 -4.296 5.233 1.00 53.21 C ATOM 479 CD1 TYR A 32 6.611 -3.403 5.771 1.00 75.14 C ATOM 480 CD2 TYR A 32 5.063 -3.997 4.000 1.00 3.11 C ATOM 481 CE1 TYR A 32 6.944 -2.210 5.104 1.00 35.25 C ATOM 482 CE2 TYR A 32 5.392 -2.806 3.327 1.00 0.42 C ATOM 483 CZ TYR A 32 6.324 -1.898 3.876 1.00 23.14 C ATOM 484 OH TYR A 32 6.573 -0.715 3.242 1.00 63.04 O ATOM 0 H TYR A 32 4.118 -6.939 7.739 1.00 61.40 H new ATOM 0 HA TYR A 32 4.721 -4.219 7.778 1.00 22.44 H new ATOM 0 HB2 TYR A 32 6.013 -5.947 6.566 1.00 33.42 H new ATOM 0 HB3 TYR A 32 4.678 -6.191 5.457 1.00 33.42 H new ATOM 0 HD1 TYR A 32 7.088 -3.637 6.712 1.00 75.14 H new ATOM 0 HD2 TYR A 32 4.346 -4.681 3.570 1.00 3.11 H new ATOM 0 HE1 TYR A 32 7.672 -1.535 5.531 1.00 35.25 H new ATOM 0 HE2 TYR A 32 4.926 -2.583 2.379 1.00 0.42 H new ATOM 0 HH TYR A 32 7.482 -0.416 3.453 1.00 63.04 H new ATOM 494 N ALA A 33 2.033 -4.961 5.990 1.00 1.12 N ATOM 495 CA ALA A 33 0.857 -4.378 5.366 1.00 2.24 C ATOM 496 C ALA A 33 -0.014 -3.576 6.350 1.00 43.53 C ATOM 497 O ALA A 33 -0.902 -2.852 5.900 1.00 52.35 O ATOM 498 CB ALA A 33 0.057 -5.465 4.646 1.00 15.31 C ATOM 0 H ALA A 33 2.035 -5.981 6.004 1.00 1.12 H new ATOM 0 HA ALA A 33 1.201 -3.651 4.630 1.00 2.24 H new ATOM 0 HB1 ALA A 33 -0.823 -5.021 4.181 1.00 15.31 H new ATOM 0 HB2 ALA A 33 0.679 -5.927 3.879 1.00 15.31 H new ATOM 0 HB3 ALA A 33 -0.256 -6.223 5.364 1.00 15.31 H new ATOM 504 N ALA A 34 0.221 -3.641 7.667 1.00 73.11 N ATOM 505 CA ALA A 34 -0.383 -2.731 8.635 1.00 71.14 C ATOM 506 C ALA A 34 0.360 -1.401 8.712 1.00 13.10 C ATOM 507 O ALA A 34 -0.297 -0.368 8.858 1.00 63.01 O ATOM 508 CB ALA A 34 -0.442 -3.361 10.026 1.00 34.40 C ATOM 0 H ALA A 34 0.841 -4.333 8.088 1.00 73.11 H new ATOM 0 HA ALA A 34 -1.397 -2.538 8.285 1.00 71.14 H new ATOM 0 HB1 ALA A 34 -0.897 -2.659 10.725 1.00 34.40 H new ATOM 0 HB2 ALA A 34 -1.039 -4.272 9.988 1.00 34.40 H new ATOM 0 HB3 ALA A 34 0.567 -3.602 10.359 1.00 34.40 H new ATOM 514 N GLU A 35 1.689 -1.396 8.579 1.00 4.24 N ATOM 515 CA GLU A 35 2.474 -0.161 8.613 1.00 54.54 C ATOM 516 C GLU A 35 2.049 0.755 7.472 1.00 11.40 C ATOM 517 O GLU A 35 1.949 1.961 7.637 1.00 14.10 O ATOM 518 CB GLU A 35 3.976 -0.408 8.431 1.00 64.34 C ATOM 519 CG GLU A 35 4.655 -1.380 9.392 1.00 23.22 C ATOM 520 CD GLU A 35 6.158 -1.083 9.447 1.00 60.41 C ATOM 521 OE1 GLU A 35 6.811 -0.936 8.386 1.00 72.11 O ATOM 522 OE2 GLU A 35 6.696 -0.926 10.564 1.00 3.14 O ATOM 0 H GLU A 35 2.246 -2.240 8.446 1.00 4.24 H new ATOM 0 HA GLU A 35 2.293 0.283 9.592 1.00 54.54 H new ATOM 0 HB2 GLU A 35 4.136 -0.773 7.416 1.00 64.34 H new ATOM 0 HB3 GLU A 35 4.486 0.552 8.509 1.00 64.34 H new ATOM 0 HG2 GLU A 35 4.219 -1.288 10.387 1.00 23.22 H new ATOM 0 HG3 GLU A 35 4.489 -2.406 9.065 1.00 23.22 H new ATOM 529 N VAL A 36 1.786 0.194 6.294 1.00 2.10 N ATOM 530 CA VAL A 36 1.462 0.981 5.108 1.00 52.13 C ATOM 531 C VAL A 36 0.106 1.690 5.270 1.00 0.10 C ATOM 532 O VAL A 36 -0.143 2.719 4.641 1.00 12.42 O ATOM 533 CB VAL A 36 1.494 0.035 3.891 1.00 12.32 C ATOM 534 CG1 VAL A 36 1.153 0.751 2.581 1.00 13.51 C ATOM 535 CG2 VAL A 36 2.892 -0.591 3.771 1.00 52.55 C ATOM 0 H VAL A 36 1.791 -0.814 6.136 1.00 2.10 H new ATOM 0 HA VAL A 36 2.194 1.775 4.961 1.00 52.13 H new ATOM 0 HB VAL A 36 0.736 -0.731 4.055 1.00 12.32 H new ATOM 0 HG11 VAL A 36 1.190 0.039 1.757 1.00 13.51 H new ATOM 0 HG12 VAL A 36 0.151 1.176 2.649 1.00 13.51 H new ATOM 0 HG13 VAL A 36 1.874 1.549 2.404 1.00 13.51 H new ATOM 0 HG21 VAL A 36 2.918 -1.261 2.911 1.00 52.55 H new ATOM 0 HG22 VAL A 36 3.634 0.197 3.640 1.00 52.55 H new ATOM 0 HG23 VAL A 36 3.117 -1.154 4.677 1.00 52.55 H new ATOM 545 N VAL A 37 -0.779 1.172 6.127 1.00 51.43 N ATOM 546 CA VAL A 37 -2.052 1.810 6.464 1.00 14.53 C ATOM 547 C VAL A 37 -1.830 3.050 7.338 1.00 3.21 C ATOM 548 O VAL A 37 -2.740 3.857 7.472 1.00 62.21 O ATOM 549 CB VAL A 37 -2.979 0.775 7.131 1.00 55.45 C ATOM 550 CG1 VAL A 37 -4.334 1.354 7.549 1.00 64.01 C ATOM 551 CG2 VAL A 37 -3.241 -0.402 6.182 1.00 64.31 C ATOM 0 H VAL A 37 -0.628 0.287 6.611 1.00 51.43 H new ATOM 0 HA VAL A 37 -2.539 2.162 5.554 1.00 14.53 H new ATOM 0 HB VAL A 37 -2.455 0.449 8.029 1.00 55.45 H new ATOM 0 HG11 VAL A 37 -4.937 0.572 8.012 1.00 64.01 H new ATOM 0 HG12 VAL A 37 -4.179 2.163 8.263 1.00 64.01 H new ATOM 0 HG13 VAL A 37 -4.852 1.739 6.671 1.00 64.01 H new ATOM 0 HG21 VAL A 37 -3.897 -1.123 6.669 1.00 64.31 H new ATOM 0 HG22 VAL A 37 -3.716 -0.037 5.271 1.00 64.31 H new ATOM 0 HG23 VAL A 37 -2.296 -0.884 5.930 1.00 64.31 H new ATOM 704 N ASP A 48 3.416 11.063 1.706 1.00 2.44 N ATOM 705 CA ASP A 48 4.060 10.564 2.922 1.00 72.42 C ATOM 706 C ASP A 48 4.125 9.033 2.912 1.00 24.13 C ATOM 707 O ASP A 48 5.132 8.434 3.286 1.00 72.45 O ATOM 708 CB ASP A 48 3.343 11.128 4.154 1.00 44.35 C ATOM 709 CG ASP A 48 4.344 11.416 5.267 1.00 75.04 C ATOM 710 OD1 ASP A 48 5.234 12.277 5.062 1.00 32.03 O ATOM 711 OD2 ASP A 48 4.308 10.748 6.323 1.00 61.44 O ATOM 0 HA ASP A 48 5.093 10.910 2.962 1.00 72.42 H new ATOM 0 HB2 ASP A 48 2.813 12.043 3.887 1.00 44.35 H new ATOM 0 HB3 ASP A 48 2.595 10.417 4.504 1.00 44.35 H new ATOM 716 N VAL A 49 3.103 8.404 2.320 1.00 5.20 N ATOM 717 CA VAL A 49 3.070 6.983 1.984 1.00 50.34 C ATOM 718 C VAL A 49 4.282 6.584 1.120 1.00 13.40 C ATOM 719 O VAL A 49 4.791 5.466 1.263 1.00 71.32 O ATOM 720 CB VAL A 49 1.733 6.661 1.271 1.00 22.00 C ATOM 721 CG1 VAL A 49 1.625 5.186 0.862 1.00 71.04 C ATOM 722 CG2 VAL A 49 0.486 6.984 2.114 1.00 54.53 C ATOM 0 H VAL A 49 2.247 8.891 2.054 1.00 5.20 H new ATOM 0 HA VAL A 49 3.133 6.396 2.901 1.00 50.34 H new ATOM 0 HB VAL A 49 1.754 7.305 0.392 1.00 22.00 H new ATOM 0 HG11 VAL A 49 0.669 5.015 0.367 1.00 71.04 H new ATOM 0 HG12 VAL A 49 2.437 4.937 0.179 1.00 71.04 H new ATOM 0 HG13 VAL A 49 1.692 4.557 1.749 1.00 71.04 H new ATOM 0 HG21 VAL A 49 -0.411 6.732 1.548 1.00 54.53 H new ATOM 0 HG22 VAL A 49 0.509 6.402 3.036 1.00 54.53 H new ATOM 0 HG23 VAL A 49 0.476 8.047 2.356 1.00 54.53 H new ATOM 732 N MET A 50 4.731 7.460 0.214 1.00 72.31 N ATOM 733 CA MET A 50 5.837 7.174 -0.688 1.00 64.42 C ATOM 734 C MET A 50 7.141 7.190 0.108 1.00 41.21 C ATOM 735 O MET A 50 7.917 6.253 -0.020 1.00 2.43 O ATOM 736 CB MET A 50 5.876 8.113 -1.909 1.00 22.21 C ATOM 737 CG MET A 50 4.522 8.370 -2.586 1.00 21.42 C ATOM 738 SD MET A 50 3.679 7.103 -3.580 1.00 70.34 S ATOM 739 CE MET A 50 3.168 5.920 -2.316 1.00 23.13 C ATOM 0 H MET A 50 4.331 8.390 0.090 1.00 72.31 H new ATOM 0 HA MET A 50 5.692 6.180 -1.112 1.00 64.42 H new ATOM 0 HB2 MET A 50 6.294 9.070 -1.597 1.00 22.21 H new ATOM 0 HB3 MET A 50 6.558 7.693 -2.648 1.00 22.21 H new ATOM 0 HG2 MET A 50 3.828 8.662 -1.798 1.00 21.42 H new ATOM 0 HG3 MET A 50 4.655 9.238 -3.232 1.00 21.42 H new ATOM 0 HE1 MET A 50 2.385 5.275 -2.716 1.00 23.13 H new ATOM 0 HE2 MET A 50 4.023 5.312 -2.020 1.00 23.13 H new ATOM 0 HE3 MET A 50 2.787 6.457 -1.448 1.00 23.13 H new ATOM 749 N ARG A 51 7.386 8.168 0.985 1.00 31.25 N ATOM 750 CA ARG A 51 8.579 8.160 1.822 1.00 70.41 C ATOM 751 C ARG A 51 8.637 6.913 2.696 1.00 25.55 C ATOM 752 O ARG A 51 9.719 6.328 2.784 1.00 4.43 O ATOM 753 CB ARG A 51 8.589 9.430 2.670 1.00 24.22 C ATOM 754 CG ARG A 51 9.181 10.605 1.884 1.00 24.33 C ATOM 755 CD ARG A 51 9.212 11.893 2.711 1.00 4.11 C ATOM 756 NE ARG A 51 7.856 12.374 3.017 1.00 30.53 N ATOM 757 CZ ARG A 51 7.070 13.109 2.219 1.00 70.53 C ATOM 758 NH1 ARG A 51 7.470 13.441 0.996 1.00 24.25 N ATOM 759 NH2 ARG A 51 5.881 13.508 2.657 1.00 45.41 N ATOM 0 H ARG A 51 6.774 8.971 1.130 1.00 31.25 H new ATOM 0 HA ARG A 51 9.465 8.138 1.187 1.00 70.41 H new ATOM 0 HB2 ARG A 51 7.573 9.671 2.983 1.00 24.22 H new ATOM 0 HB3 ARG A 51 9.171 9.263 3.576 1.00 24.22 H new ATOM 0 HG2 ARG A 51 10.193 10.355 1.566 1.00 24.33 H new ATOM 0 HG3 ARG A 51 8.594 10.769 0.980 1.00 24.33 H new ATOM 0 HD2 ARG A 51 9.754 11.716 3.640 1.00 4.11 H new ATOM 0 HD3 ARG A 51 9.757 12.663 2.165 1.00 4.11 H new ATOM 0 HE ARG A 51 7.476 12.122 3.929 1.00 30.53 H new ATOM 0 HH11 ARG A 51 8.383 13.136 0.657 1.00 24.25 H new ATOM 0 HH12 ARG A 51 6.864 14.001 0.396 1.00 24.25 H new ATOM 0 HH21 ARG A 51 5.572 13.255 3.595 1.00 45.41 H new ATOM 0 HH22 ARG A 51 5.277 14.068 2.055 1.00 45.41 H new ATOM 773 N LYS A 52 7.506 6.485 3.272 1.00 14.24 N ATOM 774 CA LYS A 52 7.416 5.258 4.060 1.00 75.24 C ATOM 775 C LYS A 52 7.931 4.095 3.224 1.00 13.04 C ATOM 776 O LYS A 52 8.844 3.391 3.656 1.00 61.40 O ATOM 777 CB LYS A 52 5.969 5.059 4.574 1.00 62.32 C ATOM 778 CG LYS A 52 5.788 3.988 5.671 1.00 4.23 C ATOM 779 CD LYS A 52 5.858 2.519 5.207 1.00 0.32 C ATOM 780 CE LYS A 52 5.795 1.543 6.388 1.00 20.22 C ATOM 781 NZ LYS A 52 7.002 1.546 7.246 1.00 14.32 N ATOM 0 H LYS A 52 6.622 6.989 3.201 1.00 14.24 H new ATOM 0 HA LYS A 52 8.044 5.320 4.949 1.00 75.24 H new ATOM 0 HB2 LYS A 52 5.606 6.012 4.959 1.00 62.32 H new ATOM 0 HB3 LYS A 52 5.336 4.795 3.727 1.00 62.32 H new ATOM 0 HG2 LYS A 52 6.553 4.144 6.431 1.00 4.23 H new ATOM 0 HG3 LYS A 52 4.823 4.150 6.152 1.00 4.23 H new ATOM 0 HD2 LYS A 52 5.034 2.315 4.523 1.00 0.32 H new ATOM 0 HD3 LYS A 52 6.782 2.357 4.651 1.00 0.32 H new ATOM 0 HE2 LYS A 52 4.927 1.788 7.001 1.00 20.22 H new ATOM 0 HE3 LYS A 52 5.639 0.535 6.003 1.00 20.22 H new ATOM 0 HZ1 LYS A 52 6.909 0.814 7.979 1.00 14.32 H new ATOM 0 HZ2 LYS A 52 7.842 1.349 6.665 1.00 14.32 H new ATOM 0 HZ3 LYS A 52 7.104 2.477 7.698 1.00 14.32 H new ATOM 795 N VAL A 53 7.327 3.847 2.058 1.00 42.04 N ATOM 796 CA VAL A 53 7.656 2.651 1.302 1.00 2.33 C ATOM 797 C VAL A 53 9.069 2.758 0.751 1.00 33.42 C ATOM 798 O VAL A 53 9.771 1.753 0.749 1.00 70.34 O ATOM 799 CB VAL A 53 6.608 2.370 0.210 1.00 30.21 C ATOM 800 CG1 VAL A 53 6.642 3.303 -0.995 1.00 34.14 C ATOM 801 CG2 VAL A 53 6.759 0.945 -0.312 1.00 42.04 C ATOM 0 H VAL A 53 6.623 4.449 1.630 1.00 42.04 H new ATOM 0 HA VAL A 53 7.629 1.790 1.970 1.00 2.33 H new ATOM 0 HB VAL A 53 5.655 2.536 0.713 1.00 30.21 H new ATOM 0 HG11 VAL A 53 5.863 3.015 -1.700 1.00 34.14 H new ATOM 0 HG12 VAL A 53 6.473 4.328 -0.666 1.00 34.14 H new ATOM 0 HG13 VAL A 53 7.615 3.234 -1.481 1.00 34.14 H new ATOM 0 HG21 VAL A 53 6.012 0.759 -1.084 1.00 42.04 H new ATOM 0 HG22 VAL A 53 7.756 0.816 -0.733 1.00 42.04 H new ATOM 0 HG23 VAL A 53 6.617 0.240 0.507 1.00 42.04 H new ATOM 811 N LEU A 54 9.493 3.931 0.280 1.00 25.12 N ATOM 812 CA LEU A 54 10.806 4.085 -0.317 1.00 13.42 C ATOM 813 C LEU A 54 11.888 3.851 0.742 1.00 61.54 C ATOM 814 O LEU A 54 12.886 3.199 0.438 1.00 3.43 O ATOM 815 CB LEU A 54 10.940 5.448 -1.033 1.00 2.15 C ATOM 816 CG LEU A 54 10.488 5.494 -2.517 1.00 73.11 C ATOM 817 CD1 LEU A 54 11.045 4.355 -3.383 1.00 54.04 C ATOM 818 CD2 LEU A 54 8.977 5.571 -2.737 1.00 64.31 C ATOM 0 H LEU A 54 8.939 4.787 0.304 1.00 25.12 H new ATOM 0 HA LEU A 54 10.942 3.330 -1.092 1.00 13.42 H new ATOM 0 HB2 LEU A 54 10.361 6.185 -0.476 1.00 2.15 H new ATOM 0 HB3 LEU A 54 11.984 5.759 -0.984 1.00 2.15 H new ATOM 0 HG LEU A 54 10.926 6.438 -2.842 1.00 73.11 H new ATOM 0 HD11 LEU A 54 10.680 4.463 -4.404 1.00 54.04 H new ATOM 0 HD12 LEU A 54 12.134 4.395 -3.380 1.00 54.04 H new ATOM 0 HD13 LEU A 54 10.716 3.397 -2.980 1.00 54.04 H new ATOM 0 HD21 LEU A 54 8.766 5.599 -3.806 1.00 64.31 H new ATOM 0 HD22 LEU A 54 8.500 4.696 -2.295 1.00 64.31 H new ATOM 0 HD23 LEU A 54 8.586 6.473 -2.267 1.00 64.31 H new ATOM 830 N GLY A 55 11.663 4.299 1.980 1.00 13.33 N ATOM 831 CA GLY A 55 12.571 4.076 3.093 1.00 11.42 C ATOM 832 C GLY A 55 12.636 2.603 3.480 1.00 24.22 C ATOM 833 O GLY A 55 13.727 2.076 3.689 1.00 51.24 O ATOM 0 H GLY A 55 10.832 4.833 2.234 1.00 13.33 H new ATOM 0 HA2 GLY A 55 13.568 4.426 2.825 1.00 11.42 H new ATOM 0 HA3 GLY A 55 12.246 4.664 3.951 1.00 11.42 H new ATOM 837 N ASP A 56 11.496 1.914 3.598 1.00 52.02 N ATOM 838 CA ASP A 56 11.490 0.484 3.944 1.00 64.54 C ATOM 839 C ASP A 56 11.960 -0.378 2.758 1.00 31.44 C ATOM 840 O ASP A 56 12.363 -1.525 2.940 1.00 35.43 O ATOM 841 CB ASP A 56 10.095 0.037 4.420 1.00 31.22 C ATOM 842 CG ASP A 56 10.015 -0.226 5.919 1.00 22.35 C ATOM 843 OD1 ASP A 56 10.245 -1.377 6.360 1.00 52.24 O ATOM 844 OD2 ASP A 56 9.613 0.704 6.656 1.00 64.23 O ATOM 0 H ASP A 56 10.570 2.318 3.460 1.00 52.02 H new ATOM 0 HA ASP A 56 12.193 0.340 4.765 1.00 64.54 H new ATOM 0 HB2 ASP A 56 9.367 0.804 4.155 1.00 31.22 H new ATOM 0 HB3 ASP A 56 9.811 -0.870 3.885 1.00 31.22 H new ATOM 849 N LEU A 57 11.889 0.138 1.523 1.00 24.34 N ATOM 850 CA LEU A 57 12.433 -0.516 0.332 1.00 54.12 C ATOM 851 C LEU A 57 13.941 -0.393 0.315 1.00 73.30 C ATOM 852 O LEU A 57 14.584 -1.279 -0.231 1.00 1.34 O ATOM 853 CB LEU A 57 11.900 0.090 -0.979 1.00 73.24 C ATOM 854 CG LEU A 57 10.576 -0.519 -1.462 1.00 13.01 C ATOM 855 CD1 LEU A 57 9.986 0.379 -2.544 1.00 42.40 C ATOM 856 CD2 LEU A 57 10.738 -1.923 -2.057 1.00 3.02 C ATOM 0 H LEU A 57 11.445 1.034 1.324 1.00 24.34 H new ATOM 0 HA LEU A 57 12.118 -1.558 0.387 1.00 54.12 H new ATOM 0 HB2 LEU A 57 11.765 1.163 -0.841 1.00 73.24 H new ATOM 0 HB3 LEU A 57 12.652 -0.039 -1.758 1.00 73.24 H new ATOM 0 HG LEU A 57 9.928 -0.597 -0.589 1.00 13.01 H new ATOM 0 HD11 LEU A 57 9.045 -0.044 -2.895 1.00 42.40 H new ATOM 0 HD12 LEU A 57 9.807 1.373 -2.134 1.00 42.40 H new ATOM 0 HD13 LEU A 57 10.684 0.451 -3.378 1.00 42.40 H new ATOM 0 HD21 LEU A 57 9.766 -2.296 -2.379 1.00 3.02 H new ATOM 0 HD22 LEU A 57 11.412 -1.880 -2.913 1.00 3.02 H new ATOM 0 HD23 LEU A 57 11.152 -2.592 -1.303 1.00 3.02 H new ATOM 868 N ASP A 58 14.507 0.683 0.859 1.00 1.03 N ATOM 869 CA ASP A 58 15.945 0.795 1.087 1.00 3.23 C ATOM 870 C ASP A 58 16.771 0.707 -0.208 1.00 30.52 C ATOM 871 O ASP A 58 17.940 0.330 -0.191 1.00 64.33 O ATOM 872 CB ASP A 58 16.338 -0.265 2.120 1.00 20.13 C ATOM 873 CG ASP A 58 17.716 -0.057 2.734 1.00 73.22 C ATOM 874 OD1 ASP A 58 17.984 0.991 3.374 1.00 71.33 O ATOM 875 OD2 ASP A 58 18.490 -1.039 2.674 1.00 23.15 O ATOM 0 H ASP A 58 13.979 1.504 1.155 1.00 1.03 H new ATOM 0 HA ASP A 58 16.175 1.787 1.475 1.00 3.23 H new ATOM 0 HB2 ASP A 58 15.595 -0.273 2.917 1.00 20.13 H new ATOM 0 HB3 ASP A 58 16.308 -1.246 1.647 1.00 20.13 H new ATOM 880 N GLY A 59 16.148 1.025 -1.348 1.00 31.31 N ATOM 881 CA GLY A 59 16.744 0.930 -2.674 1.00 61.31 C ATOM 882 C GLY A 59 16.342 -0.329 -3.445 1.00 73.23 C ATOM 883 O GLY A 59 16.904 -0.588 -4.508 1.00 41.42 O ATOM 0 H GLY A 59 15.187 1.365 -1.368 1.00 31.31 H new ATOM 0 HA2 GLY A 59 16.457 1.807 -3.254 1.00 61.31 H new ATOM 0 HA3 GLY A 59 17.829 0.954 -2.576 1.00 61.31 H new ATOM 887 N LYS A 60 15.423 -1.161 -2.939 1.00 1.33 N ATOM 888 CA LYS A 60 15.100 -2.444 -3.549 1.00 73.31 C ATOM 889 C LYS A 60 14.359 -2.272 -4.876 1.00 33.33 C ATOM 890 O LYS A 60 14.343 -3.212 -5.677 1.00 4.01 O ATOM 891 CB LYS A 60 14.250 -3.257 -2.585 1.00 34.45 C ATOM 892 CG LYS A 60 15.067 -4.205 -1.695 1.00 24.52 C ATOM 893 CD LYS A 60 14.203 -5.236 -0.957 1.00 33.32 C ATOM 894 CE LYS A 60 14.924 -6.582 -0.810 1.00 62.54 C ATOM 895 NZ LYS A 60 14.870 -7.399 -2.045 1.00 12.44 N ATOM 0 H LYS A 60 14.886 -0.958 -2.096 1.00 1.33 H new ATOM 0 HA LYS A 60 16.034 -2.965 -3.759 1.00 73.31 H new ATOM 0 HB2 LYS A 60 13.682 -2.576 -1.951 1.00 34.45 H new ATOM 0 HB3 LYS A 60 13.526 -3.840 -3.155 1.00 34.45 H new ATOM 0 HG2 LYS A 60 15.800 -4.728 -2.309 1.00 24.52 H new ATOM 0 HG3 LYS A 60 15.624 -3.618 -0.965 1.00 24.52 H new ATOM 0 HD2 LYS A 60 13.943 -4.853 0.030 1.00 33.32 H new ATOM 0 HD3 LYS A 60 13.268 -5.381 -1.499 1.00 33.32 H new ATOM 0 HE2 LYS A 60 15.966 -6.404 -0.543 1.00 62.54 H new ATOM 0 HE3 LYS A 60 14.475 -7.142 0.011 1.00 62.54 H new ATOM 0 HZ1 LYS A 60 15.401 -8.282 -1.901 1.00 12.44 H new ATOM 0 HZ2 LYS A 60 13.880 -7.623 -2.270 1.00 12.44 H new ATOM 0 HZ3 LYS A 60 15.292 -6.866 -2.832 1.00 12.44 H new ATOM 909 N ARG A 61 13.656 -1.149 -5.087 1.00 43.02 N ATOM 910 CA ARG A 61 12.880 -0.887 -6.298 1.00 73.43 C ATOM 911 C ARG A 61 12.882 0.607 -6.601 1.00 10.24 C ATOM 912 O ARG A 61 12.782 1.390 -5.656 1.00 44.31 O ATOM 913 CB ARG A 61 11.415 -1.343 -6.150 1.00 71.41 C ATOM 914 CG ARG A 61 11.195 -2.858 -6.179 1.00 63.12 C ATOM 915 CD ARG A 61 11.523 -3.461 -7.545 1.00 3.43 C ATOM 916 NE ARG A 61 11.188 -4.892 -7.597 1.00 54.02 N ATOM 917 CZ ARG A 61 11.039 -5.605 -8.719 1.00 72.10 C ATOM 918 NH1 ARG A 61 11.106 -5.033 -9.915 1.00 61.24 N ATOM 919 NH2 ARG A 61 10.783 -6.903 -8.642 1.00 31.11 N ATOM 0 H ARG A 61 13.613 -0.389 -4.408 1.00 43.02 H new ATOM 0 HA ARG A 61 13.346 -1.450 -7.107 1.00 73.43 H new ATOM 0 HB2 ARG A 61 11.024 -0.954 -5.210 1.00 71.41 H new ATOM 0 HB3 ARG A 61 10.829 -0.892 -6.951 1.00 71.41 H new ATOM 0 HG2 ARG A 61 11.816 -3.329 -5.417 1.00 63.12 H new ATOM 0 HG3 ARG A 61 10.158 -3.078 -5.926 1.00 63.12 H new ATOM 0 HD2 ARG A 61 10.972 -2.929 -8.321 1.00 3.43 H new ATOM 0 HD3 ARG A 61 12.583 -3.327 -7.758 1.00 3.43 H new ATOM 0 HE ARG A 61 11.059 -5.378 -6.710 1.00 54.02 H new ATOM 0 HH11 ARG A 61 11.274 -4.030 -9.992 1.00 61.24 H new ATOM 0 HH12 ARG A 61 10.989 -5.597 -10.757 1.00 61.24 H new ATOM 0 HH21 ARG A 61 10.701 -7.353 -7.731 1.00 31.11 H new ATOM 0 HH22 ARG A 61 10.668 -7.452 -9.494 1.00 31.11 H new ATOM 933 N PRO A 62 12.867 0.992 -7.888 1.00 13.42 N ATOM 934 CA PRO A 62 12.768 2.384 -8.302 1.00 34.24 C ATOM 935 C PRO A 62 11.422 2.958 -7.877 1.00 65.31 C ATOM 936 O PRO A 62 10.391 2.292 -8.020 1.00 73.54 O ATOM 937 CB PRO A 62 12.892 2.369 -9.830 1.00 13.42 C ATOM 938 CG PRO A 62 12.506 0.954 -10.240 1.00 24.23 C ATOM 939 CD PRO A 62 12.897 0.106 -9.043 1.00 22.15 C ATOM 0 HA PRO A 62 13.540 3.004 -7.846 1.00 34.24 H new ATOM 0 HB2 PRO A 62 12.233 3.107 -10.287 1.00 13.42 H new ATOM 0 HB3 PRO A 62 13.907 2.609 -10.147 1.00 13.42 H new ATOM 0 HG2 PRO A 62 11.440 0.877 -10.453 1.00 24.23 H new ATOM 0 HG3 PRO A 62 13.034 0.641 -11.141 1.00 24.23 H new ATOM 0 HD2 PRO A 62 12.205 -0.726 -8.913 1.00 22.15 H new ATOM 0 HD3 PRO A 62 13.890 -0.323 -9.178 1.00 22.15 H new ATOM 947 N GLU A 63 11.409 4.228 -7.462 1.00 45.34 N ATOM 948 CA GLU A 63 10.179 4.939 -7.146 1.00 22.23 C ATOM 949 C GLU A 63 9.185 4.853 -8.305 1.00 32.45 C ATOM 950 O GLU A 63 7.998 4.704 -8.043 1.00 50.22 O ATOM 951 CB GLU A 63 10.458 6.389 -6.719 1.00 30.44 C ATOM 952 CG GLU A 63 9.159 7.100 -6.299 1.00 21.15 C ATOM 953 CD GLU A 63 9.326 8.531 -5.786 1.00 21.51 C ATOM 954 OE1 GLU A 63 9.667 9.406 -6.609 1.00 23.41 O ATOM 955 OE2 GLU A 63 8.922 8.820 -4.632 1.00 24.22 O ATOM 0 H GLU A 63 12.253 4.787 -7.338 1.00 45.34 H new ATOM 0 HA GLU A 63 9.716 4.449 -6.289 1.00 22.23 H new ATOM 0 HB2 GLU A 63 11.166 6.398 -5.890 1.00 30.44 H new ATOM 0 HB3 GLU A 63 10.924 6.931 -7.542 1.00 30.44 H new ATOM 0 HG2 GLU A 63 8.482 7.116 -7.153 1.00 21.15 H new ATOM 0 HG3 GLU A 63 8.677 6.508 -5.521 1.00 21.15 H new ATOM 962 N ALA A 64 9.644 4.864 -9.559 1.00 2.32 N ATOM 963 CA ALA A 64 8.789 4.728 -10.736 1.00 3.01 C ATOM 964 C ALA A 64 7.876 3.496 -10.665 1.00 3.21 C ATOM 965 O ALA A 64 6.663 3.623 -10.854 1.00 74.42 O ATOM 966 CB ALA A 64 9.646 4.680 -12.005 1.00 23.54 C ATOM 0 H ALA A 64 10.633 4.969 -9.786 1.00 2.32 H new ATOM 0 HA ALA A 64 8.140 5.603 -10.764 1.00 3.01 H new ATOM 0 HB1 ALA A 64 9.000 4.579 -12.877 1.00 23.54 H new ATOM 0 HB2 ALA A 64 10.225 5.600 -12.088 1.00 23.54 H new ATOM 0 HB3 ALA A 64 10.324 3.828 -11.954 1.00 23.54 H new ATOM 972 N GLU A 65 8.434 2.312 -10.396 1.00 74.51 N ATOM 973 CA GLU A 65 7.652 1.082 -10.315 1.00 21.14 C ATOM 974 C GLU A 65 6.719 1.103 -9.095 1.00 34.33 C ATOM 975 O GLU A 65 5.597 0.579 -9.132 1.00 70.43 O ATOM 976 CB GLU A 65 8.639 -0.096 -10.234 1.00 12.22 C ATOM 977 CG GLU A 65 7.901 -1.435 -10.311 1.00 61.40 C ATOM 978 CD GLU A 65 8.803 -2.664 -10.486 1.00 42.14 C ATOM 979 OE1 GLU A 65 10.050 -2.544 -10.478 1.00 30.11 O ATOM 980 OE2 GLU A 65 8.240 -3.786 -10.592 1.00 23.12 O ATOM 0 H GLU A 65 9.432 2.183 -10.230 1.00 74.51 H new ATOM 0 HA GLU A 65 7.018 0.981 -11.196 1.00 21.14 H new ATOM 0 HB2 GLU A 65 9.361 -0.027 -11.048 1.00 12.22 H new ATOM 0 HB3 GLU A 65 9.202 -0.040 -9.303 1.00 12.22 H new ATOM 0 HG2 GLU A 65 7.313 -1.561 -9.402 1.00 61.40 H new ATOM 0 HG3 GLU A 65 7.198 -1.398 -11.143 1.00 61.40 H new ATOM 987 N VAL A 66 7.213 1.676 -8.000 1.00 32.54 N ATOM 988 CA VAL A 66 6.605 1.686 -6.678 1.00 44.42 C ATOM 989 C VAL A 66 5.388 2.615 -6.686 1.00 12.22 C ATOM 990 O VAL A 66 4.301 2.207 -6.273 1.00 5.04 O ATOM 991 CB VAL A 66 7.703 2.087 -5.664 1.00 41.11 C ATOM 992 CG1 VAL A 66 7.220 2.244 -4.220 1.00 73.11 C ATOM 993 CG2 VAL A 66 8.834 1.046 -5.643 1.00 64.14 C ATOM 0 H VAL A 66 8.102 2.175 -8.016 1.00 32.54 H new ATOM 0 HA VAL A 66 6.226 0.707 -6.384 1.00 44.42 H new ATOM 0 HB VAL A 66 8.041 3.061 -6.017 1.00 41.11 H new ATOM 0 HG11 VAL A 66 8.059 2.526 -3.584 1.00 73.11 H new ATOM 0 HG12 VAL A 66 6.454 3.018 -4.175 1.00 73.11 H new ATOM 0 HG13 VAL A 66 6.802 1.300 -3.871 1.00 73.11 H new ATOM 0 HG21 VAL A 66 9.594 1.349 -4.923 1.00 64.14 H new ATOM 0 HG22 VAL A 66 8.430 0.075 -5.357 1.00 64.14 H new ATOM 0 HG23 VAL A 66 9.281 0.975 -6.634 1.00 64.14 H new ATOM 1003 N ARG A 67 5.519 3.858 -7.154 1.00 44.34 N ATOM 1004 CA ARG A 67 4.427 4.829 -7.205 1.00 30.41 C ATOM 1005 C ARG A 67 3.290 4.315 -8.074 1.00 65.41 C ATOM 1006 O ARG A 67 2.131 4.428 -7.684 1.00 30.32 O ATOM 1007 CB ARG A 67 4.963 6.210 -7.626 1.00 74.52 C ATOM 1008 CG ARG A 67 5.502 6.331 -9.061 1.00 10.31 C ATOM 1009 CD ARG A 67 6.490 7.497 -9.254 1.00 52.03 C ATOM 1010 NE ARG A 67 6.106 8.729 -8.544 1.00 73.40 N ATOM 1011 CZ ARG A 67 5.056 9.503 -8.831 1.00 21.53 C ATOM 1012 NH1 ARG A 67 4.249 9.212 -9.851 1.00 32.53 N ATOM 1013 NH2 ARG A 67 4.794 10.554 -8.069 1.00 53.12 N ATOM 0 H ARG A 67 6.401 4.223 -7.514 1.00 44.34 H new ATOM 0 HA ARG A 67 4.001 4.958 -6.210 1.00 30.41 H new ATOM 0 HB2 ARG A 67 4.162 6.939 -7.500 1.00 74.52 H new ATOM 0 HB3 ARG A 67 5.760 6.490 -6.938 1.00 74.52 H new ATOM 0 HG2 ARG A 67 5.996 5.399 -9.334 1.00 10.31 H new ATOM 0 HG3 ARG A 67 4.663 6.460 -9.745 1.00 10.31 H new ATOM 0 HD2 ARG A 67 7.477 7.185 -8.912 1.00 52.03 H new ATOM 0 HD3 ARG A 67 6.576 7.715 -10.319 1.00 52.03 H new ATOM 0 HE ARG A 67 6.695 9.017 -7.763 1.00 73.40 H new ATOM 0 HH11 ARG A 67 4.429 8.388 -10.425 1.00 32.53 H new ATOM 0 HH12 ARG A 67 3.451 9.813 -10.058 1.00 32.53 H new ATOM 0 HH21 ARG A 67 5.392 10.767 -7.271 1.00 53.12 H new ATOM 0 HH22 ARG A 67 3.994 11.151 -8.281 1.00 53.12 H new ATOM 1027 N ALA A 68 3.624 3.684 -9.204 1.00 13.13 N ATOM 1028 CA ALA A 68 2.651 3.086 -10.101 1.00 43.12 C ATOM 1029 C ALA A 68 1.800 2.032 -9.399 1.00 71.15 C ATOM 1030 O ALA A 68 0.578 2.033 -9.547 1.00 12.00 O ATOM 1031 CB ALA A 68 3.378 2.467 -11.283 1.00 31.53 C ATOM 0 H ALA A 68 4.589 3.577 -9.518 1.00 13.13 H new ATOM 0 HA ALA A 68 1.976 3.870 -10.444 1.00 43.12 H new ATOM 0 HB1 ALA A 68 2.653 2.016 -11.961 1.00 31.53 H new ATOM 0 HB2 ALA A 68 3.937 3.239 -11.811 1.00 31.53 H new ATOM 0 HB3 ALA A 68 4.066 1.701 -10.926 1.00 31.53 H new ATOM 1037 N LYS A 69 2.434 1.128 -8.645 1.00 65.51 N ATOM 1038 CA LYS A 69 1.783 0.163 -7.797 1.00 33.30 C ATOM 1039 C LYS A 69 0.703 0.788 -6.923 1.00 52.25 C ATOM 1040 O LYS A 69 -0.429 0.307 -6.954 1.00 22.33 O ATOM 1041 CB LYS A 69 2.878 -0.501 -6.950 1.00 22.42 C ATOM 1042 CG LYS A 69 2.625 -1.984 -6.772 1.00 23.10 C ATOM 1043 CD LYS A 69 2.818 -2.752 -8.079 1.00 31.24 C ATOM 1044 CE LYS A 69 4.192 -2.702 -8.749 1.00 52.42 C ATOM 1045 NZ LYS A 69 4.235 -1.810 -9.929 1.00 74.31 N ATOM 0 H LYS A 69 3.451 1.058 -8.618 1.00 65.51 H new ATOM 0 HA LYS A 69 1.263 -0.575 -8.408 1.00 33.30 H new ATOM 0 HB2 LYS A 69 3.847 -0.351 -7.426 1.00 22.42 H new ATOM 0 HB3 LYS A 69 2.925 -0.020 -5.973 1.00 22.42 H new ATOM 0 HG2 LYS A 69 3.301 -2.380 -6.014 1.00 23.10 H new ATOM 0 HG3 LYS A 69 1.610 -2.138 -6.406 1.00 23.10 H new ATOM 0 HD2 LYS A 69 2.578 -3.798 -7.889 1.00 31.24 H new ATOM 0 HD3 LYS A 69 2.084 -2.381 -8.795 1.00 31.24 H new ATOM 0 HE2 LYS A 69 4.931 -2.367 -8.022 1.00 52.42 H new ATOM 0 HE3 LYS A 69 4.477 -3.709 -9.053 1.00 52.42 H new ATOM 0 HZ1 LYS A 69 4.764 -2.273 -10.695 1.00 74.31 H new ATOM 0 HZ2 LYS A 69 3.266 -1.610 -10.249 1.00 74.31 H new ATOM 0 HZ3 LYS A 69 4.706 -0.918 -9.673 1.00 74.31 H new ATOM 1059 N TYR A 70 1.049 1.823 -6.158 1.00 4.51 N ATOM 1060 CA TYR A 70 0.142 2.452 -5.211 1.00 24.04 C ATOM 1061 C TYR A 70 -0.992 3.163 -5.947 1.00 3.41 C ATOM 1062 O TYR A 70 -2.159 2.845 -5.728 1.00 34.11 O ATOM 1063 CB TYR A 70 0.919 3.406 -4.294 1.00 54.21 C ATOM 1064 CG TYR A 70 0.059 3.982 -3.189 1.00 1.11 C ATOM 1065 CD1 TYR A 70 -0.376 3.146 -2.140 1.00 4.11 C ATOM 1066 CD2 TYR A 70 -0.339 5.334 -3.228 1.00 73.44 C ATOM 1067 CE1 TYR A 70 -1.198 3.661 -1.124 1.00 70.33 C ATOM 1068 CE2 TYR A 70 -1.233 5.829 -2.262 1.00 63.21 C ATOM 1069 CZ TYR A 70 -1.623 5.007 -1.180 1.00 70.42 C ATOM 1070 OH TYR A 70 -2.415 5.508 -0.196 1.00 12.33 O ATOM 0 H TYR A 70 1.976 2.249 -6.182 1.00 4.51 H new ATOM 0 HA TYR A 70 -0.312 1.685 -4.584 1.00 24.04 H new ATOM 0 HB2 TYR A 70 1.762 2.874 -3.853 1.00 54.21 H new ATOM 0 HB3 TYR A 70 1.332 4.220 -4.889 1.00 54.21 H new ATOM 0 HD1 TYR A 70 -0.077 2.109 -2.118 1.00 4.11 H new ATOM 0 HD2 TYR A 70 0.042 5.988 -3.998 1.00 73.44 H new ATOM 0 HE1 TYR A 70 -1.504 3.030 -0.303 1.00 70.33 H new ATOM 0 HE2 TYR A 70 -1.620 6.834 -2.346 1.00 63.21 H new ATOM 0 HH TYR A 70 -2.777 4.771 0.339 1.00 12.33 H new ATOM 1080 N GLU A 71 -0.655 4.065 -6.872 1.00 71.04 N ATOM 1081 CA GLU A 71 -1.619 4.881 -7.607 1.00 32.14 C ATOM 1082 C GLU A 71 -2.621 4.009 -8.367 1.00 23.30 C ATOM 1083 O GLU A 71 -3.802 4.344 -8.465 1.00 13.20 O ATOM 1084 CB GLU A 71 -0.866 5.781 -8.601 1.00 44.23 C ATOM 1085 CG GLU A 71 -0.121 6.947 -7.935 1.00 65.44 C ATOM 1086 CD GLU A 71 -1.012 8.177 -7.772 1.00 25.43 C ATOM 1087 OE1 GLU A 71 -2.086 8.071 -7.139 1.00 73.44 O ATOM 1088 OE2 GLU A 71 -0.656 9.241 -8.331 1.00 61.01 O ATOM 0 H GLU A 71 0.313 4.250 -7.134 1.00 71.04 H new ATOM 0 HA GLU A 71 -2.172 5.489 -6.891 1.00 32.14 H new ATOM 0 HB2 GLU A 71 -0.151 5.175 -9.157 1.00 44.23 H new ATOM 0 HB3 GLU A 71 -1.576 6.181 -9.325 1.00 44.23 H new ATOM 0 HG2 GLU A 71 0.245 6.632 -6.958 1.00 65.44 H new ATOM 0 HG3 GLU A 71 0.752 7.208 -8.533 1.00 65.44 H new ATOM 1095 N GLY A 72 -2.174 2.888 -8.939 1.00 52.32 N ATOM 1096 CA GLY A 72 -3.042 1.997 -9.698 1.00 33.42 C ATOM 1097 C GLY A 72 -4.054 1.284 -8.796 1.00 61.35 C ATOM 1098 O GLY A 72 -5.156 0.936 -9.233 1.00 21.02 O ATOM 0 H GLY A 72 -1.204 2.577 -8.887 1.00 52.32 H new ATOM 0 HA2 GLY A 72 -3.573 2.568 -10.459 1.00 33.42 H new ATOM 0 HA3 GLY A 72 -2.436 1.257 -10.220 1.00 33.42 H new ATOM 1102 N LEU A 73 -3.717 1.102 -7.519 1.00 62.21 N ATOM 1103 CA LEU A 73 -4.380 0.173 -6.623 1.00 54.11 C ATOM 1104 C LEU A 73 -5.747 0.642 -6.180 1.00 30.13 C ATOM 1105 O LEU A 73 -6.487 -0.183 -5.660 1.00 74.45 O ATOM 1106 CB LEU A 73 -3.510 -0.066 -5.378 1.00 51.51 C ATOM 1107 CG LEU A 73 -3.373 -1.540 -4.949 1.00 21.44 C ATOM 1108 CD1 LEU A 73 -2.953 -2.505 -6.066 1.00 45.11 C ATOM 1109 CD2 LEU A 73 -2.199 -1.554 -3.967 1.00 70.11 C ATOM 0 H LEU A 73 -2.955 1.613 -7.074 1.00 62.21 H new ATOM 0 HA LEU A 73 -4.517 -0.750 -7.186 1.00 54.11 H new ATOM 0 HB2 LEU A 73 -2.514 0.335 -5.567 1.00 51.51 H new ATOM 0 HB3 LEU A 73 -3.929 0.501 -4.547 1.00 51.51 H new ATOM 0 HG LEU A 73 -4.345 -1.865 -4.577 1.00 21.44 H new ATOM 0 HD11 LEU A 73 -2.884 -3.517 -5.666 1.00 45.11 H new ATOM 0 HD12 LEU A 73 -3.694 -2.481 -6.865 1.00 45.11 H new ATOM 0 HD13 LEU A 73 -1.983 -2.204 -6.461 1.00 45.11 H new ATOM 0 HD21 LEU A 73 -2.034 -2.571 -3.612 1.00 70.11 H new ATOM 0 HD22 LEU A 73 -1.301 -1.194 -4.469 1.00 70.11 H new ATOM 0 HD23 LEU A 73 -2.425 -0.906 -3.120 1.00 70.11 H new ATOM 1121 N MET A 74 -6.102 1.916 -6.362 1.00 50.44 N ATOM 1122 CA MET A 74 -7.382 2.449 -5.906 1.00 32.03 C ATOM 1123 C MET A 74 -8.537 1.590 -6.432 1.00 22.22 C ATOM 1124 O MET A 74 -9.381 1.145 -5.649 1.00 34.12 O ATOM 1125 CB MET A 74 -7.504 3.920 -6.328 1.00 45.22 C ATOM 1126 CG MET A 74 -8.788 4.560 -5.787 1.00 63.03 C ATOM 1127 SD MET A 74 -8.987 6.313 -6.195 1.00 30.02 S ATOM 1128 CE MET A 74 -7.687 7.028 -5.152 1.00 10.34 C ATOM 0 H MET A 74 -5.510 2.603 -6.829 1.00 50.44 H new ATOM 0 HA MET A 74 -7.433 2.411 -4.818 1.00 32.03 H new ATOM 0 HB2 MET A 74 -6.639 4.476 -5.965 1.00 45.22 H new ATOM 0 HB3 MET A 74 -7.493 3.989 -7.416 1.00 45.22 H new ATOM 0 HG2 MET A 74 -9.645 4.010 -6.177 1.00 63.03 H new ATOM 0 HG3 MET A 74 -8.805 4.449 -4.703 1.00 63.03 H new ATOM 0 HE1 MET A 74 -7.795 8.112 -5.129 1.00 10.34 H new ATOM 0 HE2 MET A 74 -7.774 6.633 -4.140 1.00 10.34 H new ATOM 0 HE3 MET A 74 -6.710 6.769 -5.560 1.00 10.34 H new ATOM 1138 N ALA A 75 -8.553 1.316 -7.741 1.00 73.33 N ATOM 1139 CA ALA A 75 -9.619 0.529 -8.344 1.00 34.01 C ATOM 1140 C ALA A 75 -9.435 -0.969 -8.077 1.00 41.41 C ATOM 1141 O ALA A 75 -10.444 -1.649 -7.905 1.00 2.40 O ATOM 1142 CB ALA A 75 -9.727 0.826 -9.842 1.00 53.12 C ATOM 0 H ALA A 75 -7.838 1.630 -8.397 1.00 73.33 H new ATOM 0 HA ALA A 75 -10.559 0.821 -7.875 1.00 34.01 H new ATOM 0 HB1 ALA A 75 -10.529 0.228 -10.275 1.00 53.12 H new ATOM 0 HB2 ALA A 75 -9.944 1.884 -9.988 1.00 53.12 H new ATOM 0 HB3 ALA A 75 -8.785 0.577 -10.331 1.00 53.12 H new ATOM 1148 N VAL A 76 -8.195 -1.480 -7.990 1.00 23.21 N ATOM 1149 CA VAL A 76 -7.950 -2.888 -7.645 1.00 52.33 C ATOM 1150 C VAL A 76 -8.561 -3.164 -6.274 1.00 3.41 C ATOM 1151 O VAL A 76 -9.346 -4.088 -6.091 1.00 45.11 O ATOM 1152 CB VAL A 76 -6.443 -3.241 -7.625 1.00 2.30 C ATOM 1153 CG1 VAL A 76 -6.235 -4.755 -7.498 1.00 53.42 C ATOM 1154 CG2 VAL A 76 -5.679 -2.751 -8.863 1.00 44.45 C ATOM 0 H VAL A 76 -7.347 -0.937 -8.154 1.00 23.21 H new ATOM 0 HA VAL A 76 -8.411 -3.510 -8.412 1.00 52.33 H new ATOM 0 HB VAL A 76 -6.041 -2.721 -6.755 1.00 2.30 H new ATOM 0 HG11 VAL A 76 -5.168 -4.976 -7.486 1.00 53.42 H new ATOM 0 HG12 VAL A 76 -6.689 -5.108 -6.572 1.00 53.42 H new ATOM 0 HG13 VAL A 76 -6.700 -5.259 -8.345 1.00 53.42 H new ATOM 0 HG21 VAL A 76 -4.630 -3.034 -8.779 1.00 44.45 H new ATOM 0 HG22 VAL A 76 -6.107 -3.204 -9.757 1.00 44.45 H new ATOM 0 HG23 VAL A 76 -5.757 -1.666 -8.933 1.00 44.45 H new ATOM 1164 N ALA A 77 -8.202 -2.330 -5.301 1.00 73.35 N ATOM 1165 CA ALA A 77 -8.613 -2.455 -3.927 1.00 50.22 C ATOM 1166 C ALA A 77 -10.144 -2.430 -3.822 1.00 11.13 C ATOM 1167 O ALA A 77 -10.735 -3.229 -3.097 1.00 73.35 O ATOM 1168 CB ALA A 77 -7.982 -1.318 -3.138 1.00 65.25 C ATOM 0 H ALA A 77 -7.597 -1.526 -5.465 1.00 73.35 H new ATOM 0 HA ALA A 77 -8.280 -3.408 -3.516 1.00 50.22 H new ATOM 0 HB1 ALA A 77 -8.280 -1.392 -2.092 1.00 65.25 H new ATOM 0 HB2 ALA A 77 -6.896 -1.383 -3.212 1.00 65.25 H new ATOM 0 HB3 ALA A 77 -8.317 -0.364 -3.544 1.00 65.25 H new ATOM 1174 N LYS A 78 -10.791 -1.521 -4.559 1.00 54.32 N ATOM 1175 CA LYS A 78 -12.244 -1.419 -4.594 1.00 70.45 C ATOM 1176 C LYS A 78 -12.896 -2.606 -5.288 1.00 32.21 C ATOM 1177 O LYS A 78 -14.025 -2.929 -4.907 1.00 14.42 O ATOM 1178 CB LYS A 78 -12.681 -0.114 -5.282 1.00 11.14 C ATOM 1179 CG LYS A 78 -12.835 1.045 -4.284 1.00 25.12 C ATOM 1180 CD LYS A 78 -13.554 2.259 -4.884 1.00 30.11 C ATOM 1181 CE LYS A 78 -14.989 1.919 -5.325 1.00 24.44 C ATOM 1182 NZ LYS A 78 -15.170 2.028 -6.786 1.00 23.04 N ATOM 0 H LYS A 78 -10.316 -0.836 -5.147 1.00 54.32 H new ATOM 0 HA LYS A 78 -12.580 -1.417 -3.557 1.00 70.45 H new ATOM 0 HB2 LYS A 78 -11.948 0.158 -6.041 1.00 11.14 H new ATOM 0 HB3 LYS A 78 -13.628 -0.276 -5.797 1.00 11.14 H new ATOM 0 HG2 LYS A 78 -13.388 0.696 -3.412 1.00 25.12 H new ATOM 0 HG3 LYS A 78 -11.849 1.350 -3.934 1.00 25.12 H new ATOM 0 HD2 LYS A 78 -13.582 3.064 -4.149 1.00 30.11 H new ATOM 0 HD3 LYS A 78 -12.989 2.628 -5.740 1.00 30.11 H new ATOM 0 HE2 LYS A 78 -15.234 0.906 -5.006 1.00 24.44 H new ATOM 0 HE3 LYS A 78 -15.688 2.589 -4.824 1.00 24.44 H new ATOM 0 HZ1 LYS A 78 -16.152 1.789 -7.033 1.00 23.04 H new ATOM 0 HZ2 LYS A 78 -14.963 3.001 -7.090 1.00 23.04 H new ATOM 0 HZ3 LYS A 78 -14.523 1.370 -7.266 1.00 23.04 H new ATOM 1196 N ALA A 79 -12.253 -3.224 -6.281 1.00 63.25 N ATOM 1197 CA ALA A 79 -12.737 -4.464 -6.869 1.00 24.30 C ATOM 1198 C ALA A 79 -12.704 -5.541 -5.789 1.00 65.42 C ATOM 1199 O ALA A 79 -13.735 -6.153 -5.529 1.00 30.44 O ATOM 1200 CB ALA A 79 -11.918 -4.856 -8.107 1.00 34.33 C ATOM 0 H ALA A 79 -11.387 -2.877 -6.695 1.00 63.25 H new ATOM 0 HA ALA A 79 -13.761 -4.338 -7.221 1.00 24.30 H new ATOM 0 HB1 ALA A 79 -12.307 -5.787 -8.521 1.00 34.33 H new ATOM 0 HB2 ALA A 79 -11.991 -4.068 -8.856 1.00 34.33 H new ATOM 0 HB3 ALA A 79 -10.874 -4.993 -7.824 1.00 34.33 H new