USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 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 32 TYR OH : rot -130:sc= 0.227 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.691) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.68 K(o=1.8,f=-1.9) USER MOD Set 2.2: A 70 TYR OH : rot 15:sc= 1.17 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -144:sc= -0.625 (180deg=-3.64!) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc=-0.00567 (180deg=-0.137) USER MOD Single : A 25 SER OG : rot -11:sc= 0.754 USER MOD Single : A 30 ASN : amide:sc= 0.935 K(o=0.93,f=-1) USER MOD Single : A 50 MET CE :methyl 138:sc= -0.68 (180deg=-2.31!) USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= 0.0305 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -179:sc= 0 (180deg=-0.00026) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -11.467 2.401 0.631 1.00 24.32 N ATOM 85 CA ALA A 6 -10.614 2.466 -0.551 1.00 65.40 C ATOM 86 C ALA A 6 -9.183 2.952 -0.279 1.00 53.33 C ATOM 87 O ALA A 6 -8.373 3.056 -1.201 1.00 65.51 O ATOM 88 CB ALA A 6 -11.262 3.434 -1.532 1.00 25.22 C ATOM 0 HA ALA A 6 -10.526 1.450 -0.935 1.00 65.40 H new ATOM 0 HB1 ALA A 6 -10.649 3.507 -2.430 1.00 25.22 H new ATOM 0 HB2 ALA A 6 -12.255 3.071 -1.799 1.00 25.22 H new ATOM 0 HB3 ALA A 6 -11.347 4.418 -1.070 1.00 25.22 H new ATOM 94 N GLU A 7 -8.878 3.349 0.947 1.00 10.22 N ATOM 95 CA GLU A 7 -7.593 3.649 1.490 1.00 62.34 C ATOM 96 C GLU A 7 -7.052 2.302 1.969 1.00 12.03 C ATOM 97 O GLU A 7 -6.182 1.711 1.332 1.00 44.10 O ATOM 98 CB GLU A 7 -7.958 4.712 2.553 1.00 5.41 C ATOM 99 CG GLU A 7 -7.016 4.821 3.738 1.00 41.42 C ATOM 100 CD GLU A 7 -7.748 4.595 5.065 1.00 71.10 C ATOM 101 OE1 GLU A 7 -8.447 3.557 5.169 1.00 14.31 O ATOM 102 OE2 GLU A 7 -7.604 5.374 6.033 1.00 34.24 O ATOM 0 H GLU A 7 -9.611 3.477 1.645 1.00 10.22 H new ATOM 0 HA GLU A 7 -6.801 4.058 0.863 1.00 62.34 H new ATOM 0 HB2 GLU A 7 -8.007 5.684 2.063 1.00 5.41 H new ATOM 0 HB3 GLU A 7 -8.958 4.493 2.928 1.00 5.41 H new ATOM 0 HG2 GLU A 7 -6.215 4.089 3.635 1.00 41.42 H new ATOM 0 HG3 GLU A 7 -6.549 5.806 3.743 1.00 41.42 H new ATOM 109 N ALA A 8 -7.667 1.727 3.002 1.00 62.54 N ATOM 110 CA ALA A 8 -7.089 0.611 3.740 1.00 63.10 C ATOM 111 C ALA A 8 -6.820 -0.595 2.837 1.00 13.22 C ATOM 112 O ALA A 8 -5.765 -1.217 2.929 1.00 43.03 O ATOM 113 CB ALA A 8 -7.997 0.207 4.900 1.00 25.15 C ATOM 0 H ALA A 8 -8.579 2.024 3.348 1.00 62.54 H new ATOM 0 HA ALA A 8 -6.131 0.948 4.136 1.00 63.10 H new ATOM 0 HB1 ALA A 8 -7.549 -0.628 5.439 1.00 25.15 H new ATOM 0 HB2 ALA A 8 -8.120 1.052 5.577 1.00 25.15 H new ATOM 0 HB3 ALA A 8 -8.971 -0.092 4.513 1.00 25.15 H new ATOM 119 N ARG A 9 -7.750 -0.937 1.936 1.00 54.30 N ATOM 120 CA ARG A 9 -7.569 -2.110 1.075 1.00 73.20 C ATOM 121 C ARG A 9 -6.479 -1.856 0.023 1.00 23.34 C ATOM 122 O ARG A 9 -5.785 -2.790 -0.378 1.00 52.11 O ATOM 123 CB ARG A 9 -8.931 -2.464 0.454 1.00 45.20 C ATOM 124 CG ARG A 9 -9.021 -3.830 -0.257 1.00 50.33 C ATOM 125 CD ARG A 9 -8.951 -5.055 0.670 1.00 10.20 C ATOM 126 NE ARG A 9 -10.059 -5.098 1.647 1.00 51.42 N ATOM 127 CZ ARG A 9 -10.346 -6.120 2.465 1.00 14.34 C ATOM 128 NH1 ARG A 9 -9.696 -7.272 2.402 1.00 31.41 N ATOM 129 NH2 ARG A 9 -11.302 -5.973 3.368 1.00 43.32 N ATOM 0 H ARG A 9 -8.621 -0.427 1.786 1.00 54.30 H new ATOM 0 HA ARG A 9 -7.222 -2.964 1.657 1.00 73.20 H new ATOM 0 HB2 ARG A 9 -9.684 -2.438 1.242 1.00 45.20 H new ATOM 0 HB3 ARG A 9 -9.193 -1.686 -0.264 1.00 45.20 H new ATOM 0 HG2 ARG A 9 -9.956 -3.870 -0.816 1.00 50.33 H new ATOM 0 HG3 ARG A 9 -8.212 -3.897 -0.984 1.00 50.33 H new ATOM 0 HD2 ARG A 9 -8.969 -5.963 0.067 1.00 10.20 H new ATOM 0 HD3 ARG A 9 -8.001 -5.046 1.205 1.00 10.20 H new ATOM 0 HE ARG A 9 -10.660 -4.276 1.704 1.00 51.42 H new ATOM 0 HH11 ARG A 9 -8.952 -7.401 1.716 1.00 31.41 H new ATOM 0 HH12 ARG A 9 -9.939 -8.030 3.039 1.00 31.41 H new ATOM 0 HH21 ARG A 9 -11.809 -5.091 3.435 1.00 43.32 H new ATOM 0 HH22 ARG A 9 -11.532 -6.742 3.997 1.00 43.32 H new ATOM 143 N ARG A 10 -6.301 -0.605 -0.419 1.00 65.22 N ATOM 144 CA ARG A 10 -5.232 -0.195 -1.335 1.00 12.24 C ATOM 145 C ARG A 10 -3.907 -0.399 -0.623 1.00 61.23 C ATOM 146 O ARG A 10 -3.040 -1.116 -1.116 1.00 62.02 O ATOM 147 CB ARG A 10 -5.465 1.274 -1.749 1.00 43.12 C ATOM 148 CG ARG A 10 -4.758 1.703 -3.050 1.00 34.13 C ATOM 149 CD ARG A 10 -4.692 3.237 -3.172 1.00 1.11 C ATOM 150 NE ARG A 10 -5.941 3.919 -2.771 1.00 70.23 N ATOM 151 CZ ARG A 10 -6.090 5.248 -2.697 1.00 12.44 C ATOM 152 NH1 ARG A 10 -5.242 6.066 -3.307 1.00 33.15 N ATOM 153 NH2 ARG A 10 -7.122 5.753 -2.027 1.00 43.02 N ATOM 0 H ARG A 10 -6.909 0.166 -0.143 1.00 65.22 H new ATOM 0 HA ARG A 10 -5.224 -0.790 -2.248 1.00 12.24 H new ATOM 0 HB2 ARG A 10 -6.536 1.438 -1.864 1.00 43.12 H new ATOM 0 HB3 ARG A 10 -5.129 1.922 -0.940 1.00 43.12 H new ATOM 0 HG2 ARG A 10 -3.749 1.291 -3.071 1.00 34.13 H new ATOM 0 HG3 ARG A 10 -5.289 1.290 -3.908 1.00 34.13 H new ATOM 0 HD2 ARG A 10 -3.873 3.607 -2.556 1.00 1.11 H new ATOM 0 HD3 ARG A 10 -4.459 3.501 -4.204 1.00 1.11 H new ATOM 0 HE ARG A 10 -6.745 3.337 -2.534 1.00 70.23 H new ATOM 0 HH11 ARG A 10 -4.462 5.685 -3.843 1.00 33.15 H new ATOM 0 HH12 ARG A 10 -5.370 7.076 -3.240 1.00 33.15 H new ATOM 0 HH21 ARG A 10 -7.791 5.130 -1.575 1.00 43.02 H new ATOM 0 HH22 ARG A 10 -7.244 6.764 -1.965 1.00 43.02 H new ATOM 167 N ASN A 11 -3.783 0.179 0.564 1.00 62.04 N ATOM 168 CA ASN A 11 -2.565 0.158 1.354 1.00 25.42 C ATOM 169 C ASN A 11 -2.184 -1.277 1.715 1.00 43.41 C ATOM 170 O ASN A 11 -1.027 -1.659 1.563 1.00 5.51 O ATOM 171 CB ASN A 11 -2.744 1.043 2.594 1.00 62.20 C ATOM 172 CG ASN A 11 -2.938 2.520 2.245 1.00 13.04 C ATOM 173 OD1 ASN A 11 -2.824 2.898 1.083 1.00 53.41 O ATOM 174 ND2 ASN A 11 -3.312 3.350 3.199 1.00 23.14 N ATOM 0 H ASN A 11 -4.546 0.687 1.012 1.00 62.04 H new ATOM 0 HA ASN A 11 -1.740 0.564 0.769 1.00 25.42 H new ATOM 0 HB2 ASN A 11 -3.605 0.693 3.164 1.00 62.20 H new ATOM 0 HB3 ASN A 11 -1.871 0.938 3.239 1.00 62.20 H new ATOM 0 HD21 ASN A 11 -3.512 4.325 2.977 1.00 23.14 H new ATOM 0 HD22 ASN A 11 -3.401 3.017 4.159 1.00 23.14 H new ATOM 181 N LYS A 12 -3.154 -2.105 2.121 1.00 72.53 N ATOM 182 CA LYS A 12 -2.943 -3.522 2.426 1.00 51.44 C ATOM 183 C LYS A 12 -2.321 -4.257 1.236 1.00 64.04 C ATOM 184 O LYS A 12 -1.252 -4.850 1.366 1.00 12.53 O ATOM 185 CB LYS A 12 -4.271 -4.154 2.890 1.00 50.21 C ATOM 186 CG LYS A 12 -4.094 -5.593 3.402 1.00 21.50 C ATOM 187 CD LYS A 12 -5.356 -6.129 4.100 1.00 45.23 C ATOM 188 CE LYS A 12 -5.012 -7.400 4.890 1.00 23.54 C ATOM 189 NZ LYS A 12 -6.053 -7.785 5.866 1.00 53.05 N ATOM 0 H LYS A 12 -4.120 -1.804 2.248 1.00 72.53 H new ATOM 0 HA LYS A 12 -2.228 -3.614 3.244 1.00 51.44 H new ATOM 0 HB2 LYS A 12 -4.704 -3.542 3.681 1.00 50.21 H new ATOM 0 HB3 LYS A 12 -4.979 -4.152 2.061 1.00 50.21 H new ATOM 0 HG2 LYS A 12 -3.841 -6.244 2.565 1.00 21.50 H new ATOM 0 HG3 LYS A 12 -3.256 -5.627 4.098 1.00 21.50 H new ATOM 0 HD2 LYS A 12 -5.762 -5.371 4.771 1.00 45.23 H new ATOM 0 HD3 LYS A 12 -6.127 -6.346 3.361 1.00 45.23 H new ATOM 0 HE2 LYS A 12 -4.858 -8.222 4.191 1.00 23.54 H new ATOM 0 HE3 LYS A 12 -4.070 -7.248 5.416 1.00 23.54 H new ATOM 0 HZ1 LYS A 12 -5.759 -8.649 6.364 1.00 53.05 H new ATOM 0 HZ2 LYS A 12 -6.185 -7.016 6.554 1.00 53.05 H new ATOM 0 HZ3 LYS A 12 -6.949 -7.961 5.367 1.00 53.05 H new ATOM 203 N LEU A 13 -2.968 -4.203 0.065 1.00 5.14 N ATOM 204 CA LEU A 13 -2.467 -4.877 -1.134 1.00 13.13 C ATOM 205 C LEU A 13 -1.085 -4.347 -1.537 1.00 62.34 C ATOM 206 O LEU A 13 -0.234 -5.141 -1.940 1.00 25.41 O ATOM 207 CB LEU A 13 -3.450 -4.720 -2.301 1.00 31.00 C ATOM 208 CG LEU A 13 -4.712 -5.589 -2.252 1.00 13.34 C ATOM 209 CD1 LEU A 13 -5.603 -5.161 -3.427 1.00 45.41 C ATOM 210 CD2 LEU A 13 -4.367 -7.080 -2.372 1.00 11.40 C ATOM 0 H LEU A 13 -3.842 -3.697 -0.075 1.00 5.14 H new ATOM 0 HA LEU A 13 -2.371 -5.936 -0.896 1.00 13.13 H new ATOM 0 HB2 LEU A 13 -3.757 -3.675 -2.351 1.00 31.00 H new ATOM 0 HB3 LEU A 13 -2.919 -4.941 -3.227 1.00 31.00 H new ATOM 0 HG LEU A 13 -5.222 -5.452 -1.298 1.00 13.34 H new ATOM 0 HD11 LEU A 13 -6.515 -5.758 -3.428 1.00 45.41 H new ATOM 0 HD12 LEU A 13 -5.859 -4.107 -3.324 1.00 45.41 H new ATOM 0 HD13 LEU A 13 -5.068 -5.315 -4.364 1.00 45.41 H new ATOM 0 HD21 LEU A 13 -5.283 -7.670 -2.334 1.00 11.40 H new ATOM 0 HD22 LEU A 13 -3.858 -7.261 -3.319 1.00 11.40 H new ATOM 0 HD23 LEU A 13 -3.714 -7.370 -1.548 1.00 11.40 H new ATOM 222 N MET A 14 -0.847 -3.031 -1.439 1.00 72.11 N ATOM 223 CA MET A 14 0.457 -2.434 -1.718 1.00 41.43 C ATOM 224 C MET A 14 1.518 -3.067 -0.828 1.00 45.20 C ATOM 225 O MET A 14 2.550 -3.524 -1.323 1.00 70.03 O ATOM 226 CB MET A 14 0.379 -0.910 -1.532 1.00 1.42 C ATOM 227 CG MET A 14 1.727 -0.167 -1.539 1.00 2.45 C ATOM 228 SD MET A 14 2.823 -0.558 -2.931 1.00 72.00 S ATOM 229 CE MET A 14 3.771 0.964 -3.113 1.00 51.10 C ATOM 0 H MET A 14 -1.558 -2.354 -1.163 1.00 72.11 H new ATOM 0 HA MET A 14 0.741 -2.627 -2.752 1.00 41.43 H new ATOM 0 HB2 MET A 14 -0.247 -0.497 -2.324 1.00 1.42 H new ATOM 0 HB3 MET A 14 -0.124 -0.703 -0.588 1.00 1.42 H new ATOM 0 HG2 MET A 14 1.532 0.905 -1.542 1.00 2.45 H new ATOM 0 HG3 MET A 14 2.252 -0.393 -0.611 1.00 2.45 H new ATOM 0 HE1 MET A 14 3.967 1.146 -4.170 1.00 51.10 H new ATOM 0 HE2 MET A 14 3.203 1.798 -2.700 1.00 51.10 H new ATOM 0 HE3 MET A 14 4.717 0.869 -2.580 1.00 51.10 H new ATOM 239 N GLY A 15 1.249 -3.131 0.478 1.00 61.03 N ATOM 240 CA GLY A 15 2.126 -3.760 1.444 1.00 22.32 C ATOM 241 C GLY A 15 2.555 -5.151 1.014 1.00 72.03 C ATOM 242 O GLY A 15 3.738 -5.461 1.113 1.00 34.24 O ATOM 0 H GLY A 15 0.402 -2.740 0.891 1.00 61.03 H new ATOM 0 HA2 GLY A 15 3.010 -3.138 1.588 1.00 22.32 H new ATOM 0 HA3 GLY A 15 1.618 -3.820 2.407 1.00 22.32 H new ATOM 246 N LEU A 16 1.641 -5.986 0.514 1.00 52.35 N ATOM 247 CA LEU A 16 1.972 -7.352 0.129 1.00 24.42 C ATOM 248 C LEU A 16 2.964 -7.402 -1.041 1.00 10.53 C ATOM 249 O LEU A 16 3.814 -8.291 -1.066 1.00 32.41 O ATOM 250 CB LEU A 16 0.685 -8.119 -0.192 1.00 5.52 C ATOM 251 CG LEU A 16 -0.174 -8.456 1.040 1.00 51.11 C ATOM 252 CD1 LEU A 16 -1.537 -8.946 0.547 1.00 54.31 C ATOM 253 CD2 LEU A 16 0.481 -9.544 1.904 1.00 53.11 C ATOM 0 H LEU A 16 0.663 -5.735 0.367 1.00 52.35 H new ATOM 0 HA LEU A 16 2.472 -7.832 0.970 1.00 24.42 H new ATOM 0 HB2 LEU A 16 0.088 -7.529 -0.887 1.00 5.52 H new ATOM 0 HB3 LEU A 16 0.946 -9.046 -0.703 1.00 5.52 H new ATOM 0 HG LEU A 16 -0.277 -7.564 1.657 1.00 51.11 H new ATOM 0 HD11 LEU A 16 -2.166 -9.192 1.402 1.00 54.31 H new ATOM 0 HD12 LEU A 16 -2.014 -8.162 -0.041 1.00 54.31 H new ATOM 0 HD13 LEU A 16 -1.403 -9.833 -0.072 1.00 54.31 H new ATOM 0 HD21 LEU A 16 -0.153 -9.756 2.765 1.00 53.11 H new ATOM 0 HD22 LEU A 16 0.606 -10.451 1.313 1.00 53.11 H new ATOM 0 HD23 LEU A 16 1.456 -9.198 2.248 1.00 53.11 H new ATOM 265 N TRP A 17 2.906 -6.454 -1.987 1.00 34.14 N ATOM 266 CA TRP A 17 3.924 -6.337 -3.031 1.00 72.25 C ATOM 267 C TRP A 17 5.249 -5.874 -2.426 1.00 50.41 C ATOM 268 O TRP A 17 6.278 -6.487 -2.678 1.00 41.12 O ATOM 269 CB TRP A 17 3.471 -5.395 -4.158 1.00 72.42 C ATOM 270 CG TRP A 17 4.521 -5.104 -5.194 1.00 10.52 C ATOM 271 CD1 TRP A 17 4.965 -5.960 -6.143 1.00 14.23 C ATOM 272 CD2 TRP A 17 5.310 -3.886 -5.370 1.00 63.32 C ATOM 273 NE1 TRP A 17 5.952 -5.352 -6.894 1.00 73.12 N ATOM 274 CE2 TRP A 17 6.203 -4.068 -6.465 1.00 21.11 C ATOM 275 CE3 TRP A 17 5.344 -2.634 -4.725 1.00 31.14 C ATOM 276 CZ2 TRP A 17 7.092 -3.065 -6.882 1.00 62.43 C ATOM 277 CZ3 TRP A 17 6.246 -1.629 -5.120 1.00 31.12 C ATOM 278 CH2 TRP A 17 7.117 -1.839 -6.202 1.00 22.21 C ATOM 0 H TRP A 17 2.163 -5.758 -2.047 1.00 34.14 H new ATOM 0 HA TRP A 17 4.070 -7.322 -3.474 1.00 72.25 H new ATOM 0 HB2 TRP A 17 2.604 -5.833 -4.652 1.00 72.42 H new ATOM 0 HB3 TRP A 17 3.145 -4.453 -3.717 1.00 72.42 H new ATOM 0 HD1 TRP A 17 4.602 -6.967 -6.291 1.00 14.23 H new ATOM 0 HE1 TRP A 17 6.436 -5.800 -7.672 1.00 73.12 H new ATOM 0 HE3 TRP A 17 4.663 -2.441 -3.909 1.00 31.14 H new ATOM 0 HZ2 TRP A 17 7.752 -3.236 -7.720 1.00 62.43 H new ATOM 0 HZ3 TRP A 17 6.269 -0.690 -4.588 1.00 31.12 H new ATOM 0 HH2 TRP A 17 7.801 -1.061 -6.508 1.00 22.21 H new ATOM 289 N VAL A 18 5.246 -4.817 -1.612 1.00 4.34 N ATOM 290 CA VAL A 18 6.463 -4.285 -0.995 1.00 54.30 C ATOM 291 C VAL A 18 7.175 -5.379 -0.193 1.00 74.31 C ATOM 292 O VAL A 18 8.379 -5.570 -0.335 1.00 61.05 O ATOM 293 CB VAL A 18 6.097 -3.096 -0.092 1.00 30.45 C ATOM 294 CG1 VAL A 18 7.305 -2.581 0.691 1.00 1.42 C ATOM 295 CG2 VAL A 18 5.505 -1.919 -0.870 1.00 63.44 C ATOM 0 H VAL A 18 4.400 -4.305 -1.362 1.00 4.34 H new ATOM 0 HA VAL A 18 7.145 -3.942 -1.773 1.00 54.30 H new ATOM 0 HB VAL A 18 5.344 -3.486 0.593 1.00 30.45 H new ATOM 0 HG11 VAL A 18 7.002 -1.741 1.316 1.00 1.42 H new ATOM 0 HG12 VAL A 18 7.698 -3.379 1.321 1.00 1.42 H new ATOM 0 HG13 VAL A 18 8.078 -2.255 -0.005 1.00 1.42 H new ATOM 0 HG21 VAL A 18 5.266 -1.110 -0.180 1.00 63.44 H new ATOM 0 HG22 VAL A 18 6.229 -1.567 -1.605 1.00 63.44 H new ATOM 0 HG23 VAL A 18 4.597 -2.240 -1.380 1.00 63.44 H new ATOM 305 N ALA A 19 6.430 -6.082 0.659 1.00 72.11 N ATOM 306 CA ALA A 19 6.890 -7.187 1.477 1.00 14.42 C ATOM 307 C ALA A 19 7.570 -8.243 0.607 1.00 33.40 C ATOM 308 O ALA A 19 8.699 -8.633 0.893 1.00 50.32 O ATOM 309 CB ALA A 19 5.683 -7.737 2.246 1.00 41.44 C ATOM 0 H ALA A 19 5.440 -5.880 0.799 1.00 72.11 H new ATOM 0 HA ALA A 19 7.641 -6.860 2.196 1.00 14.42 H new ATOM 0 HB1 ALA A 19 6.000 -8.572 2.872 1.00 41.44 H new ATOM 0 HB2 ALA A 19 5.263 -6.951 2.874 1.00 41.44 H new ATOM 0 HB3 ALA A 19 4.927 -8.080 1.540 1.00 41.44 H new ATOM 315 N GLU A 20 6.931 -8.648 -0.486 1.00 54.51 N ATOM 316 CA GLU A 20 7.469 -9.609 -1.432 1.00 34.23 C ATOM 317 C GLU A 20 8.772 -9.090 -2.052 1.00 41.23 C ATOM 318 O GLU A 20 9.781 -9.789 -2.001 1.00 5.41 O ATOM 319 CB GLU A 20 6.364 -9.904 -2.450 1.00 34.34 C ATOM 320 CG GLU A 20 6.801 -10.709 -3.669 1.00 61.22 C ATOM 321 CD GLU A 20 5.608 -10.870 -4.601 1.00 73.44 C ATOM 322 OE1 GLU A 20 4.744 -11.749 -4.358 1.00 74.43 O ATOM 323 OE2 GLU A 20 5.437 -10.033 -5.518 1.00 50.24 O ATOM 0 H GLU A 20 6.004 -8.307 -0.741 1.00 54.51 H new ATOM 0 HA GLU A 20 7.750 -10.545 -0.948 1.00 34.23 H new ATOM 0 HB2 GLU A 20 5.563 -10.445 -1.946 1.00 34.34 H new ATOM 0 HB3 GLU A 20 5.944 -8.958 -2.791 1.00 34.34 H new ATOM 0 HG2 GLU A 20 7.617 -10.202 -4.184 1.00 61.22 H new ATOM 0 HG3 GLU A 20 7.176 -11.686 -3.362 1.00 61.22 H new ATOM 330 N VAL A 21 8.792 -7.855 -2.567 1.00 65.05 N ATOM 331 CA VAL A 21 9.991 -7.228 -3.130 1.00 31.10 C ATOM 332 C VAL A 21 11.124 -7.226 -2.094 1.00 64.14 C ATOM 333 O VAL A 21 12.269 -7.532 -2.435 1.00 63.44 O ATOM 334 CB VAL A 21 9.648 -5.810 -3.648 1.00 52.31 C ATOM 335 CG1 VAL A 21 10.884 -4.981 -4.033 1.00 22.41 C ATOM 336 CG2 VAL A 21 8.743 -5.867 -4.888 1.00 33.22 C ATOM 0 H VAL A 21 7.966 -7.257 -2.604 1.00 65.05 H new ATOM 0 HA VAL A 21 10.347 -7.805 -3.984 1.00 31.10 H new ATOM 0 HB VAL A 21 9.142 -5.330 -2.810 1.00 52.31 H new ATOM 0 HG11 VAL A 21 10.568 -4.000 -4.387 1.00 22.41 H new ATOM 0 HG12 VAL A 21 11.528 -4.862 -3.162 1.00 22.41 H new ATOM 0 HG13 VAL A 21 11.433 -5.492 -4.824 1.00 22.41 H new ATOM 0 HG21 VAL A 21 8.522 -4.854 -5.224 1.00 33.22 H new ATOM 0 HG22 VAL A 21 9.251 -6.411 -5.684 1.00 33.22 H new ATOM 0 HG23 VAL A 21 7.813 -6.376 -4.636 1.00 33.22 H new ATOM 346 N LEU A 22 10.829 -6.918 -0.829 1.00 23.24 N ATOM 347 CA LEU A 22 11.805 -6.953 0.254 1.00 25.23 C ATOM 348 C LEU A 22 12.361 -8.360 0.456 1.00 32.33 C ATOM 349 O LEU A 22 13.562 -8.484 0.680 1.00 43.23 O ATOM 350 CB LEU A 22 11.203 -6.408 1.564 1.00 53.32 C ATOM 351 CG LEU A 22 11.117 -4.871 1.586 1.00 54.53 C ATOM 352 CD1 LEU A 22 10.137 -4.397 2.665 1.00 22.35 C ATOM 353 CD2 LEU A 22 12.491 -4.250 1.854 1.00 21.15 C ATOM 0 H LEU A 22 9.896 -6.635 -0.529 1.00 23.24 H new ATOM 0 HA LEU A 22 12.633 -6.305 -0.031 1.00 25.23 H new ATOM 0 HB2 LEU A 22 10.205 -6.825 1.701 1.00 53.32 H new ATOM 0 HB3 LEU A 22 11.809 -6.746 2.405 1.00 53.32 H new ATOM 0 HG LEU A 22 10.762 -4.550 0.607 1.00 54.53 H new ATOM 0 HD11 LEU A 22 10.092 -3.308 2.663 1.00 22.35 H new ATOM 0 HD12 LEU A 22 9.146 -4.802 2.459 1.00 22.35 H new ATOM 0 HD13 LEU A 22 10.475 -4.744 3.641 1.00 22.35 H new ATOM 0 HD21 LEU A 22 12.403 -3.164 1.865 1.00 21.15 H new ATOM 0 HD22 LEU A 22 12.864 -4.593 2.819 1.00 21.15 H new ATOM 0 HD23 LEU A 22 13.185 -4.550 1.069 1.00 21.15 H new ATOM 365 N GLY A 23 11.524 -9.395 0.338 1.00 31.11 N ATOM 366 CA GLY A 23 11.850 -10.769 0.711 1.00 44.11 C ATOM 367 C GLY A 23 11.194 -11.168 2.034 1.00 22.13 C ATOM 368 O GLY A 23 11.645 -12.102 2.697 1.00 64.33 O ATOM 0 H GLY A 23 10.578 -9.295 -0.029 1.00 31.11 H new ATOM 0 HA2 GLY A 23 11.522 -11.447 -0.077 1.00 44.11 H new ATOM 0 HA3 GLY A 23 12.931 -10.876 0.794 1.00 44.11 H new ATOM 372 N LYS A 24 10.159 -10.451 2.479 1.00 62.23 N ATOM 373 CA LYS A 24 9.258 -10.947 3.514 1.00 44.53 C ATOM 374 C LYS A 24 8.364 -12.007 2.882 1.00 45.43 C ATOM 375 O LYS A 24 8.240 -12.117 1.657 1.00 32.04 O ATOM 376 CB LYS A 24 8.411 -9.807 4.096 1.00 51.42 C ATOM 377 CG LYS A 24 9.257 -8.787 4.858 1.00 33.13 C ATOM 378 CD LYS A 24 8.434 -7.550 5.237 1.00 1.43 C ATOM 379 CE LYS A 24 9.262 -6.540 6.038 1.00 63.02 C ATOM 380 NZ LYS A 24 9.787 -7.090 7.307 1.00 61.45 N ATOM 0 H LYS A 24 9.926 -9.520 2.134 1.00 62.23 H new ATOM 0 HA LYS A 24 9.833 -11.374 4.336 1.00 44.53 H new ATOM 0 HB2 LYS A 24 7.879 -9.304 3.289 1.00 51.42 H new ATOM 0 HB3 LYS A 24 7.657 -10.222 4.765 1.00 51.42 H new ATOM 0 HG2 LYS A 24 9.661 -9.248 5.760 1.00 33.13 H new ATOM 0 HG3 LYS A 24 10.107 -8.487 4.245 1.00 33.13 H new ATOM 0 HD2 LYS A 24 8.056 -7.074 4.332 1.00 1.43 H new ATOM 0 HD3 LYS A 24 7.567 -7.856 5.823 1.00 1.43 H new ATOM 0 HE2 LYS A 24 10.096 -6.197 5.426 1.00 63.02 H new ATOM 0 HE3 LYS A 24 8.647 -5.667 6.255 1.00 63.02 H new ATOM 0 HZ1 LYS A 24 10.190 -6.320 7.879 1.00 61.45 H new ATOM 0 HZ2 LYS A 24 9.014 -7.545 7.834 1.00 61.45 H new ATOM 0 HZ3 LYS A 24 10.526 -7.792 7.102 1.00 61.45 H new ATOM 394 N SER A 25 7.751 -12.814 3.728 1.00 31.04 N ATOM 395 CA SER A 25 6.851 -13.907 3.381 1.00 42.33 C ATOM 396 C SER A 25 6.044 -14.185 4.655 1.00 70.21 C ATOM 397 O SER A 25 5.970 -13.301 5.510 1.00 4.43 O ATOM 398 CB SER A 25 7.688 -15.106 2.904 1.00 54.53 C ATOM 399 OG SER A 25 8.558 -14.783 1.829 1.00 43.25 O ATOM 0 H SER A 25 7.873 -12.721 4.736 1.00 31.04 H new ATOM 0 HA SER A 25 6.167 -13.680 2.564 1.00 42.33 H new ATOM 0 HB2 SER A 25 8.277 -15.486 3.739 1.00 54.53 H new ATOM 0 HB3 SER A 25 7.019 -15.909 2.594 1.00 54.53 H new ATOM 0 HG SER A 25 8.326 -13.899 1.475 1.00 43.25 H new ATOM 405 N GLY A 26 5.470 -15.376 4.820 1.00 72.25 N ATOM 406 CA GLY A 26 5.017 -15.840 6.128 1.00 21.12 C ATOM 407 C GLY A 26 3.936 -14.923 6.695 1.00 10.20 C ATOM 408 O GLY A 26 3.068 -14.458 5.950 1.00 4.50 O ATOM 0 H GLY A 26 5.308 -16.038 4.061 1.00 72.25 H new ATOM 0 HA2 GLY A 26 4.629 -16.855 6.042 1.00 21.12 H new ATOM 0 HA3 GLY A 26 5.862 -15.879 6.816 1.00 21.12 H new ATOM 412 N ASP A 27 3.962 -14.691 8.009 1.00 14.21 N ATOM 413 CA ASP A 27 3.018 -13.762 8.653 1.00 70.53 C ATOM 414 C ASP A 27 3.638 -12.393 8.879 1.00 51.14 C ATOM 415 O ASP A 27 2.950 -11.394 9.071 1.00 31.53 O ATOM 416 CB ASP A 27 2.482 -14.320 9.970 1.00 4.41 C ATOM 417 CG ASP A 27 0.996 -13.968 10.088 1.00 3.01 C ATOM 418 OD1 ASP A 27 0.206 -14.427 9.223 1.00 72.22 O ATOM 419 OD2 ASP A 27 0.617 -13.192 10.989 1.00 65.35 O ATOM 0 H ASP A 27 4.623 -15.130 8.650 1.00 14.21 H new ATOM 0 HA ASP A 27 2.181 -13.648 7.965 1.00 70.53 H new ATOM 0 HB2 ASP A 27 2.617 -15.401 10.005 1.00 4.41 H new ATOM 0 HB3 ASP A 27 3.037 -13.902 10.810 1.00 4.41 H new ATOM 424 N GLU A 28 4.953 -12.334 8.759 1.00 10.30 N ATOM 425 CA GLU A 28 5.809 -11.189 8.603 1.00 54.22 C ATOM 426 C GLU A 28 5.215 -10.223 7.573 1.00 25.01 C ATOM 427 O GLU A 28 4.949 -9.055 7.873 1.00 24.32 O ATOM 428 CB GLU A 28 7.132 -11.753 8.101 1.00 61.13 C ATOM 429 CG GLU A 28 8.096 -12.264 9.157 1.00 22.22 C ATOM 430 CD GLU A 28 7.743 -13.536 9.939 1.00 54.14 C ATOM 431 OE1 GLU A 28 6.727 -14.214 9.666 1.00 3.12 O ATOM 432 OE2 GLU A 28 8.570 -13.867 10.829 1.00 2.21 O ATOM 0 H GLU A 28 5.502 -13.193 8.771 1.00 10.30 H new ATOM 0 HA GLU A 28 5.928 -10.632 9.532 1.00 54.22 H new ATOM 0 HB2 GLU A 28 6.915 -12.570 7.413 1.00 61.13 H new ATOM 0 HB3 GLU A 28 7.637 -10.977 7.525 1.00 61.13 H new ATOM 0 HG2 GLU A 28 9.056 -12.434 8.670 1.00 22.22 H new ATOM 0 HG3 GLU A 28 8.243 -11.463 9.882 1.00 22.22 H new ATOM 439 N ALA A 29 4.973 -10.709 6.351 1.00 10.10 N ATOM 440 CA ALA A 29 4.374 -9.931 5.275 1.00 5.50 C ATOM 441 C ALA A 29 2.957 -9.482 5.638 1.00 4.24 C ATOM 442 O ALA A 29 2.508 -8.417 5.228 1.00 10.12 O ATOM 443 CB ALA A 29 4.306 -10.782 4.006 1.00 62.21 C ATOM 0 H ALA A 29 5.193 -11.668 6.083 1.00 10.10 H new ATOM 0 HA ALA A 29 4.993 -9.049 5.113 1.00 5.50 H new ATOM 0 HB1 ALA A 29 3.858 -10.200 3.201 1.00 62.21 H new ATOM 0 HB2 ALA A 29 5.312 -11.086 3.717 1.00 62.21 H new ATOM 0 HB3 ALA A 29 3.699 -11.668 4.194 1.00 62.21 H new ATOM 449 N ASN A 30 2.243 -10.271 6.428 1.00 4.24 N ATOM 450 CA ASN A 30 0.856 -10.010 6.788 1.00 13.43 C ATOM 451 C ASN A 30 0.789 -8.925 7.854 1.00 73.12 C ATOM 452 O ASN A 30 -0.177 -8.158 7.878 1.00 11.14 O ATOM 453 CB ASN A 30 0.151 -11.291 7.266 1.00 73.32 C ATOM 454 CG ASN A 30 -0.048 -12.320 6.150 1.00 12.31 C ATOM 455 OD1 ASN A 30 -0.118 -11.967 4.974 1.00 2.41 O ATOM 456 ND2 ASN A 30 -0.150 -13.596 6.490 1.00 22.33 N ATOM 0 H ASN A 30 2.617 -11.124 6.844 1.00 4.24 H new ATOM 0 HA ASN A 30 0.332 -9.661 5.898 1.00 13.43 H new ATOM 0 HB2 ASN A 30 0.735 -11.742 8.068 1.00 73.32 H new ATOM 0 HB3 ASN A 30 -0.819 -11.029 7.687 1.00 73.32 H new ATOM 0 HD21 ASN A 30 -0.289 -14.306 5.771 1.00 22.33 H new ATOM 0 HD22 ASN A 30 -0.089 -13.869 7.471 1.00 22.33 H new ATOM 463 N ALA A 31 1.798 -8.839 8.722 1.00 61.23 N ATOM 464 CA ALA A 31 1.995 -7.743 9.649 1.00 45.02 C ATOM 465 C ALA A 31 2.392 -6.487 8.878 1.00 70.42 C ATOM 466 O ALA A 31 1.793 -5.438 9.107 1.00 65.41 O ATOM 467 CB ALA A 31 3.063 -8.110 10.682 1.00 34.14 C ATOM 0 H ALA A 31 2.519 -9.557 8.795 1.00 61.23 H new ATOM 0 HA ALA A 31 1.064 -7.547 10.181 1.00 45.02 H new ATOM 0 HB1 ALA A 31 3.202 -7.278 11.373 1.00 34.14 H new ATOM 0 HB2 ALA A 31 2.745 -8.993 11.236 1.00 34.14 H new ATOM 0 HB3 ALA A 31 4.004 -8.320 10.174 1.00 34.14 H new ATOM 473 N TYR A 32 3.354 -6.589 7.952 1.00 61.43 N ATOM 474 CA TYR A 32 3.878 -5.440 7.212 1.00 5.52 C ATOM 475 C TYR A 32 2.760 -4.649 6.527 1.00 45.52 C ATOM 476 O TYR A 32 2.754 -3.416 6.545 1.00 44.30 O ATOM 477 CB TYR A 32 4.944 -5.878 6.199 1.00 44.44 C ATOM 478 CG TYR A 32 5.562 -4.681 5.487 1.00 24.02 C ATOM 479 CD1 TYR A 32 6.574 -3.949 6.133 1.00 13.42 C ATOM 480 CD2 TYR A 32 5.059 -4.211 4.256 1.00 71.42 C ATOM 481 CE1 TYR A 32 7.063 -2.759 5.575 1.00 61.42 C ATOM 482 CE2 TYR A 32 5.517 -2.995 3.711 1.00 10.42 C ATOM 483 CZ TYR A 32 6.505 -2.244 4.393 1.00 73.42 C ATOM 484 OH TYR A 32 6.879 -1.000 3.981 1.00 42.42 O ATOM 0 H TYR A 32 3.790 -7.475 7.696 1.00 61.43 H new ATOM 0 HA TYR A 32 4.350 -4.775 7.935 1.00 5.52 H new ATOM 0 HB2 TYR A 32 5.724 -6.441 6.711 1.00 44.44 H new ATOM 0 HB3 TYR A 32 4.497 -6.548 5.465 1.00 44.44 H new ATOM 0 HD1 TYR A 32 6.979 -4.307 7.068 1.00 13.42 H new ATOM 0 HD2 TYR A 32 4.316 -4.788 3.726 1.00 71.42 H new ATOM 0 HE1 TYR A 32 7.875 -2.235 6.057 1.00 61.42 H new ATOM 0 HE2 TYR A 32 5.115 -2.636 2.775 1.00 10.42 H new ATOM 0 HH TYR A 32 6.081 -0.467 3.784 1.00 42.42 H new ATOM 494 N ALA A 33 1.752 -5.343 5.993 1.00 74.14 N ATOM 495 CA ALA A 33 0.632 -4.705 5.314 1.00 73.21 C ATOM 496 C ALA A 33 -0.089 -3.692 6.213 1.00 21.11 C ATOM 497 O ALA A 33 -0.617 -2.694 5.720 1.00 61.20 O ATOM 498 CB ALA A 33 -0.340 -5.773 4.809 1.00 13.41 C ATOM 0 H ALA A 33 1.693 -6.361 6.021 1.00 74.14 H new ATOM 0 HA ALA A 33 1.027 -4.146 4.466 1.00 73.21 H new ATOM 0 HB1 ALA A 33 -1.177 -5.293 4.302 1.00 13.41 H new ATOM 0 HB2 ALA A 33 0.176 -6.434 4.113 1.00 13.41 H new ATOM 0 HB3 ALA A 33 -0.712 -6.354 5.653 1.00 13.41 H new ATOM 504 N ALA A 34 -0.104 -3.923 7.531 1.00 44.21 N ATOM 505 CA ALA A 34 -0.691 -2.990 8.481 1.00 45.00 C ATOM 506 C ALA A 34 0.100 -1.689 8.581 1.00 21.35 C ATOM 507 O ALA A 34 -0.513 -0.636 8.735 1.00 42.32 O ATOM 508 CB ALA A 34 -0.800 -3.625 9.864 1.00 62.40 C ATOM 0 H ALA A 34 0.290 -4.760 7.961 1.00 44.21 H new ATOM 0 HA ALA A 34 -1.687 -2.750 8.107 1.00 45.00 H new ATOM 0 HB1 ALA A 34 -1.241 -2.910 10.559 1.00 62.40 H new ATOM 0 HB2 ALA A 34 -1.430 -4.513 9.808 1.00 62.40 H new ATOM 0 HB3 ALA A 34 0.193 -3.906 10.215 1.00 62.40 H new ATOM 514 N GLU A 35 1.431 -1.742 8.481 1.00 11.12 N ATOM 515 CA GLU A 35 2.260 -0.544 8.529 1.00 43.10 C ATOM 516 C GLU A 35 1.849 0.387 7.396 1.00 73.31 C ATOM 517 O GLU A 35 1.636 1.575 7.617 1.00 44.12 O ATOM 518 CB GLU A 35 3.760 -0.878 8.451 1.00 52.04 C ATOM 519 CG GLU A 35 4.199 -1.843 9.556 1.00 61.53 C ATOM 520 CD GLU A 35 5.709 -1.821 9.787 1.00 1.42 C ATOM 521 OE1 GLU A 35 6.468 -2.285 8.915 1.00 45.40 O ATOM 522 OE2 GLU A 35 6.121 -1.366 10.883 1.00 51.44 O ATOM 0 H GLU A 35 1.956 -2.609 8.366 1.00 11.12 H new ATOM 0 HA GLU A 35 2.102 -0.049 9.487 1.00 43.10 H new ATOM 0 HB2 GLU A 35 3.982 -1.318 7.479 1.00 52.04 H new ATOM 0 HB3 GLU A 35 4.339 0.042 8.524 1.00 52.04 H new ATOM 0 HG2 GLU A 35 3.689 -1.584 10.484 1.00 61.53 H new ATOM 0 HG3 GLU A 35 3.890 -2.855 9.294 1.00 61.53 H new ATOM 529 N VAL A 36 1.657 -0.163 6.196 1.00 64.22 N ATOM 530 CA VAL A 36 1.298 0.608 5.012 1.00 63.04 C ATOM 531 C VAL A 36 -0.082 1.265 5.160 1.00 43.10 C ATOM 532 O VAL A 36 -0.335 2.289 4.536 1.00 51.34 O ATOM 533 CB VAL A 36 1.366 -0.292 3.756 1.00 51.44 C ATOM 534 CG1 VAL A 36 1.417 0.550 2.467 1.00 33.04 C ATOM 535 CG2 VAL A 36 2.583 -1.239 3.788 1.00 54.20 C ATOM 0 H VAL A 36 1.748 -1.164 6.021 1.00 64.22 H new ATOM 0 HA VAL A 36 2.019 1.417 4.898 1.00 63.04 H new ATOM 0 HB VAL A 36 0.457 -0.893 3.761 1.00 51.44 H new ATOM 0 HG11 VAL A 36 1.464 -0.111 1.602 1.00 33.04 H new ATOM 0 HG12 VAL A 36 0.523 1.170 2.402 1.00 33.04 H new ATOM 0 HG13 VAL A 36 2.300 1.188 2.484 1.00 33.04 H new ATOM 0 HG21 VAL A 36 2.591 -1.852 2.887 1.00 54.20 H new ATOM 0 HG22 VAL A 36 3.500 -0.652 3.835 1.00 54.20 H new ATOM 0 HG23 VAL A 36 2.520 -1.884 4.665 1.00 54.20 H new ATOM 545 N VAL A 37 -0.989 0.678 5.943 1.00 34.42 N ATOM 546 CA VAL A 37 -2.322 1.221 6.201 1.00 62.21 C ATOM 547 C VAL A 37 -2.262 2.414 7.151 1.00 54.11 C ATOM 548 O VAL A 37 -3.164 3.255 7.134 1.00 64.33 O ATOM 549 CB VAL A 37 -3.209 0.091 6.751 1.00 25.35 C ATOM 550 CG1 VAL A 37 -4.537 0.579 7.328 1.00 31.31 C ATOM 551 CG2 VAL A 37 -3.490 -0.941 5.657 1.00 72.31 C ATOM 0 H VAL A 37 -0.813 -0.204 6.424 1.00 34.42 H new ATOM 0 HA VAL A 37 -2.754 1.595 5.273 1.00 62.21 H new ATOM 0 HB VAL A 37 -2.647 -0.357 7.571 1.00 25.35 H new ATOM 0 HG11 VAL A 37 -5.109 -0.273 7.696 1.00 31.31 H new ATOM 0 HG12 VAL A 37 -4.345 1.270 8.149 1.00 31.31 H new ATOM 0 HG13 VAL A 37 -5.106 1.089 6.551 1.00 31.31 H new ATOM 0 HG21 VAL A 37 -4.119 -1.735 6.059 1.00 72.31 H new ATOM 0 HG22 VAL A 37 -4.003 -0.459 4.825 1.00 72.31 H new ATOM 0 HG23 VAL A 37 -2.549 -1.365 5.307 1.00 72.31 H new ATOM 704 N ASP A 48 2.961 10.903 2.596 1.00 53.31 N ATOM 705 CA ASP A 48 3.571 10.297 3.772 1.00 0.13 C ATOM 706 C ASP A 48 3.719 8.776 3.595 1.00 14.41 C ATOM 707 O ASP A 48 4.805 8.242 3.849 1.00 3.41 O ATOM 708 CB ASP A 48 2.769 10.735 5.018 1.00 43.54 C ATOM 709 CG ASP A 48 3.415 10.350 6.350 1.00 14.22 C ATOM 710 OD1 ASP A 48 4.608 9.978 6.403 1.00 42.53 O ATOM 711 OD2 ASP A 48 2.818 10.613 7.420 1.00 41.20 O ATOM 0 HA ASP A 48 4.593 10.648 3.913 1.00 0.13 H new ATOM 0 HB2 ASP A 48 2.639 11.817 4.990 1.00 43.54 H new ATOM 0 HB3 ASP A 48 1.774 10.293 4.969 1.00 43.54 H new ATOM 716 N VAL A 49 2.715 8.109 3.006 1.00 52.51 N ATOM 717 CA VAL A 49 2.753 6.717 2.534 1.00 11.43 C ATOM 718 C VAL A 49 3.957 6.516 1.630 1.00 22.21 C ATOM 719 O VAL A 49 4.733 5.574 1.833 1.00 64.44 O ATOM 720 CB VAL A 49 1.461 6.368 1.731 1.00 62.00 C ATOM 721 CG1 VAL A 49 1.471 4.983 1.049 1.00 34.32 C ATOM 722 CG2 VAL A 49 0.169 6.429 2.540 1.00 65.33 C ATOM 0 H VAL A 49 1.810 8.548 2.838 1.00 52.51 H new ATOM 0 HA VAL A 49 2.820 6.065 3.405 1.00 11.43 H new ATOM 0 HB VAL A 49 1.477 7.157 0.980 1.00 62.00 H new ATOM 0 HG11 VAL A 49 0.532 4.833 0.517 1.00 34.32 H new ATOM 0 HG12 VAL A 49 2.300 4.931 0.344 1.00 34.32 H new ATOM 0 HG13 VAL A 49 1.588 4.206 1.805 1.00 34.32 H new ATOM 0 HG21 VAL A 49 -0.674 6.172 1.899 1.00 65.33 H new ATOM 0 HG22 VAL A 49 0.224 5.722 3.368 1.00 65.33 H new ATOM 0 HG23 VAL A 49 0.032 7.437 2.932 1.00 65.33 H new ATOM 732 N MET A 50 4.071 7.345 0.585 1.00 25.02 N ATOM 733 CA MET A 50 5.119 7.170 -0.400 1.00 33.02 C ATOM 734 C MET A 50 6.467 7.298 0.288 1.00 30.02 C ATOM 735 O MET A 50 7.290 6.392 0.186 1.00 23.33 O ATOM 736 CB MET A 50 4.989 8.130 -1.578 1.00 45.32 C ATOM 737 CG MET A 50 3.815 7.857 -2.522 1.00 13.35 C ATOM 738 SD MET A 50 4.001 6.485 -3.702 1.00 52.21 S ATOM 739 CE MET A 50 3.433 5.091 -2.706 1.00 53.53 C ATOM 0 H MET A 50 3.450 8.135 0.410 1.00 25.02 H new ATOM 0 HA MET A 50 5.025 6.173 -0.831 1.00 33.02 H new ATOM 0 HB2 MET A 50 4.892 9.144 -1.189 1.00 45.32 H new ATOM 0 HB3 MET A 50 5.913 8.097 -2.156 1.00 45.32 H new ATOM 0 HG2 MET A 50 2.931 7.663 -1.915 1.00 13.35 H new ATOM 0 HG3 MET A 50 3.619 8.767 -3.089 1.00 13.35 H new ATOM 0 HE1 MET A 50 2.803 4.442 -3.314 1.00 53.53 H new ATOM 0 HE2 MET A 50 4.293 4.527 -2.346 1.00 53.53 H new ATOM 0 HE3 MET A 50 2.860 5.461 -1.856 1.00 53.53 H new ATOM 749 N ARG A 51 6.697 8.374 1.036 1.00 25.05 N ATOM 750 CA ARG A 51 7.963 8.575 1.711 1.00 54.41 C ATOM 751 C ARG A 51 8.298 7.391 2.624 1.00 3.41 C ATOM 752 O ARG A 51 9.465 6.983 2.626 1.00 25.33 O ATOM 753 CB ARG A 51 7.906 9.941 2.408 1.00 30.42 C ATOM 754 CG ARG A 51 9.281 10.584 2.560 1.00 55.33 C ATOM 755 CD ARG A 51 10.079 10.063 3.757 1.00 51.31 C ATOM 756 NE ARG A 51 11.514 10.319 3.576 1.00 72.02 N ATOM 757 CZ ARG A 51 12.349 9.579 2.838 1.00 30.44 C ATOM 758 NH1 ARG A 51 11.960 8.434 2.281 1.00 71.00 N ATOM 759 NH2 ARG A 51 13.586 10.012 2.652 1.00 71.01 N ATOM 0 H ARG A 51 6.017 9.119 1.186 1.00 25.05 H new ATOM 0 HA ARG A 51 8.796 8.601 1.008 1.00 54.41 H new ATOM 0 HB2 ARG A 51 7.259 10.608 1.838 1.00 30.42 H new ATOM 0 HB3 ARG A 51 7.454 9.823 3.393 1.00 30.42 H new ATOM 0 HG2 ARG A 51 9.855 10.411 1.650 1.00 55.33 H new ATOM 0 HG3 ARG A 51 9.158 11.663 2.659 1.00 55.33 H new ATOM 0 HD2 ARG A 51 9.731 10.546 4.670 1.00 51.31 H new ATOM 0 HD3 ARG A 51 9.908 8.993 3.877 1.00 51.31 H new ATOM 0 HE ARG A 51 11.907 11.130 4.054 1.00 72.02 H new ATOM 0 HH11 ARG A 51 11.005 8.102 2.412 1.00 71.00 H new ATOM 0 HH12 ARG A 51 12.617 7.889 1.723 1.00 71.00 H new ATOM 0 HH21 ARG A 51 13.886 10.894 3.068 1.00 71.01 H new ATOM 0 HH22 ARG A 51 14.240 9.464 2.093 1.00 71.01 H new ATOM 773 N LYS A 52 7.311 6.800 3.315 1.00 24.35 N ATOM 774 CA LYS A 52 7.517 5.625 4.159 1.00 64.24 C ATOM 775 C LYS A 52 8.064 4.479 3.320 1.00 41.41 C ATOM 776 O LYS A 52 9.129 3.941 3.615 1.00 70.22 O ATOM 777 CB LYS A 52 6.235 5.241 4.926 1.00 74.04 C ATOM 778 CG LYS A 52 6.424 4.021 5.856 1.00 73.11 C ATOM 779 CD LYS A 52 5.908 2.704 5.243 1.00 63.03 C ATOM 780 CE LYS A 52 6.030 1.524 6.220 1.00 42.32 C ATOM 781 NZ LYS A 52 7.406 0.989 6.295 1.00 50.40 N ATOM 0 H LYS A 52 6.346 7.129 3.300 1.00 24.35 H new ATOM 0 HA LYS A 52 8.257 5.864 4.922 1.00 64.24 H new ATOM 0 HB2 LYS A 52 5.905 6.094 5.519 1.00 74.04 H new ATOM 0 HB3 LYS A 52 5.442 5.025 4.210 1.00 74.04 H new ATOM 0 HG2 LYS A 52 7.482 3.914 6.093 1.00 73.11 H new ATOM 0 HG3 LYS A 52 5.904 4.205 6.796 1.00 73.11 H new ATOM 0 HD2 LYS A 52 4.865 2.825 4.950 1.00 63.03 H new ATOM 0 HD3 LYS A 52 6.470 2.482 4.336 1.00 63.03 H new ATOM 0 HE2 LYS A 52 5.714 1.845 7.213 1.00 42.32 H new ATOM 0 HE3 LYS A 52 5.351 0.729 5.911 1.00 42.32 H new ATOM 0 HZ1 LYS A 52 7.547 0.522 7.213 1.00 50.40 H new ATOM 0 HZ2 LYS A 52 7.553 0.300 5.530 1.00 50.40 H new ATOM 0 HZ3 LYS A 52 8.087 1.768 6.194 1.00 50.40 H new ATOM 795 N VAL A 53 7.316 4.055 2.304 1.00 11.32 N ATOM 796 CA VAL A 53 7.633 2.856 1.543 1.00 5.41 C ATOM 797 C VAL A 53 8.937 3.057 0.768 1.00 63.42 C ATOM 798 O VAL A 53 9.677 2.094 0.544 1.00 64.04 O ATOM 799 CB VAL A 53 6.416 2.503 0.671 1.00 61.32 C ATOM 800 CG1 VAL A 53 6.163 3.458 -0.491 1.00 43.22 C ATOM 801 CG2 VAL A 53 6.486 1.071 0.159 1.00 53.21 C ATOM 0 H VAL A 53 6.474 4.535 1.988 1.00 11.32 H new ATOM 0 HA VAL A 53 7.818 2.000 2.192 1.00 5.41 H new ATOM 0 HB VAL A 53 5.565 2.611 1.344 1.00 61.32 H new ATOM 0 HG11 VAL A 53 5.286 3.129 -1.048 1.00 43.22 H new ATOM 0 HG12 VAL A 53 5.992 4.463 -0.105 1.00 43.22 H new ATOM 0 HG13 VAL A 53 7.030 3.466 -1.151 1.00 43.22 H new ATOM 0 HG21 VAL A 53 5.609 0.860 -0.453 1.00 53.21 H new ATOM 0 HG22 VAL A 53 7.387 0.943 -0.442 1.00 53.21 H new ATOM 0 HG23 VAL A 53 6.513 0.383 1.004 1.00 53.21 H new ATOM 811 N LEU A 54 9.227 4.290 0.343 1.00 23.45 N ATOM 812 CA LEU A 54 10.407 4.599 -0.446 1.00 53.41 C ATOM 813 C LEU A 54 11.659 4.500 0.406 1.00 5.41 C ATOM 814 O LEU A 54 12.654 3.936 -0.056 1.00 51.50 O ATOM 815 CB LEU A 54 10.304 6.004 -1.064 1.00 73.20 C ATOM 816 CG LEU A 54 9.791 6.061 -2.509 1.00 24.14 C ATOM 817 CD1 LEU A 54 10.725 5.309 -3.469 1.00 51.41 C ATOM 818 CD2 LEU A 54 8.343 5.641 -2.731 1.00 65.22 C ATOM 0 H LEU A 54 8.642 5.102 0.542 1.00 23.45 H new ATOM 0 HA LEU A 54 10.469 3.869 -1.253 1.00 53.41 H new ATOM 0 HB2 LEU A 54 9.645 6.607 -0.440 1.00 73.20 H new ATOM 0 HB3 LEU A 54 11.289 6.469 -1.029 1.00 73.20 H new ATOM 0 HG LEU A 54 9.801 7.127 -2.736 1.00 24.14 H new ATOM 0 HD11 LEU A 54 10.330 5.370 -4.483 1.00 51.41 H new ATOM 0 HD12 LEU A 54 11.717 5.759 -3.438 1.00 51.41 H new ATOM 0 HD13 LEU A 54 10.791 4.263 -3.168 1.00 51.41 H new ATOM 0 HD21 LEU A 54 8.098 5.724 -3.790 1.00 65.22 H new ATOM 0 HD22 LEU A 54 8.210 4.609 -2.408 1.00 65.22 H new ATOM 0 HD23 LEU A 54 7.684 6.290 -2.154 1.00 65.22 H new ATOM 830 N GLY A 55 11.599 5.008 1.641 1.00 71.23 N ATOM 831 CA GLY A 55 12.668 4.852 2.609 1.00 71.31 C ATOM 832 C GLY A 55 12.890 3.372 2.879 1.00 72.04 C ATOM 833 O GLY A 55 14.007 2.875 2.727 1.00 45.51 O ATOM 0 H GLY A 55 10.801 5.539 1.990 1.00 71.23 H new ATOM 0 HA2 GLY A 55 13.584 5.306 2.232 1.00 71.31 H new ATOM 0 HA3 GLY A 55 12.414 5.368 3.535 1.00 71.31 H new ATOM 837 N ASP A 56 11.814 2.659 3.226 1.00 14.41 N ATOM 838 CA ASP A 56 11.862 1.262 3.656 1.00 22.01 C ATOM 839 C ASP A 56 12.149 0.297 2.500 1.00 31.34 C ATOM 840 O ASP A 56 12.221 -0.904 2.738 1.00 13.23 O ATOM 841 CB ASP A 56 10.555 0.871 4.383 1.00 54.21 C ATOM 842 CG ASP A 56 10.627 1.165 5.883 1.00 50.43 C ATOM 843 OD1 ASP A 56 11.362 0.466 6.595 1.00 24.42 O ATOM 844 OD2 ASP A 56 9.903 2.095 6.341 1.00 34.23 O ATOM 0 H ASP A 56 10.870 3.045 3.215 1.00 14.41 H new ATOM 0 HA ASP A 56 12.695 1.174 4.353 1.00 22.01 H new ATOM 0 HB2 ASP A 56 9.719 1.417 3.946 1.00 54.21 H new ATOM 0 HB3 ASP A 56 10.358 -0.190 4.230 1.00 54.21 H new ATOM 849 N LEU A 57 12.249 0.739 1.237 1.00 70.40 N ATOM 850 CA LEU A 57 12.754 -0.111 0.160 1.00 54.22 C ATOM 851 C LEU A 57 14.277 -0.143 0.130 1.00 74.02 C ATOM 852 O LEU A 57 14.838 -1.088 -0.421 1.00 10.35 O ATOM 853 CB LEU A 57 12.256 0.398 -1.200 1.00 54.24 C ATOM 854 CG LEU A 57 10.999 -0.302 -1.746 1.00 14.23 C ATOM 855 CD1 LEU A 57 10.868 0.164 -3.198 1.00 74.44 C ATOM 856 CD2 LEU A 57 10.963 -1.837 -1.735 1.00 31.12 C ATOM 0 H LEU A 57 11.986 1.679 0.942 1.00 70.40 H new ATOM 0 HA LEU A 57 12.382 -1.118 0.351 1.00 54.22 H new ATOM 0 HB2 LEU A 57 12.050 1.465 -1.116 1.00 54.24 H new ATOM 0 HB3 LEU A 57 13.059 0.285 -1.928 1.00 54.24 H new ATOM 0 HG LEU A 57 10.187 -0.026 -1.073 1.00 14.23 H new ATOM 0 HD11 LEU A 57 9.990 -0.297 -3.650 1.00 74.44 H new ATOM 0 HD12 LEU A 57 10.762 1.249 -3.224 1.00 74.44 H new ATOM 0 HD13 LEU A 57 11.759 -0.127 -3.755 1.00 74.44 H new ATOM 0 HD21 LEU A 57 10.016 -2.182 -2.150 1.00 31.12 H new ATOM 0 HD22 LEU A 57 11.785 -2.225 -2.337 1.00 31.12 H new ATOM 0 HD23 LEU A 57 11.063 -2.196 -0.711 1.00 31.12 H new ATOM 868 N ASP A 58 14.940 0.884 0.660 1.00 32.05 N ATOM 869 CA ASP A 58 16.387 1.080 0.551 1.00 23.13 C ATOM 870 C ASP A 58 16.843 1.062 -0.920 1.00 1.32 C ATOM 871 O ASP A 58 17.852 0.457 -1.276 1.00 50.11 O ATOM 872 CB ASP A 58 17.140 0.059 1.425 1.00 14.33 C ATOM 873 CG ASP A 58 18.510 0.561 1.897 1.00 1.51 C ATOM 874 OD1 ASP A 58 18.995 1.627 1.433 1.00 30.24 O ATOM 875 OD2 ASP A 58 19.104 -0.123 2.757 1.00 25.31 O ATOM 0 H ASP A 58 14.476 1.621 1.190 1.00 32.05 H new ATOM 0 HA ASP A 58 16.636 2.069 0.935 1.00 23.13 H new ATOM 0 HB2 ASP A 58 16.530 -0.184 2.295 1.00 14.33 H new ATOM 0 HB3 ASP A 58 17.273 -0.864 0.861 1.00 14.33 H new ATOM 880 N GLY A 59 16.049 1.658 -1.819 1.00 74.40 N ATOM 881 CA GLY A 59 16.342 1.693 -3.249 1.00 51.40 C ATOM 882 C GLY A 59 16.291 0.317 -3.920 1.00 23.24 C ATOM 883 O GLY A 59 16.911 0.126 -4.967 1.00 22.05 O ATOM 0 H GLY A 59 15.181 2.131 -1.568 1.00 74.40 H new ATOM 0 HA2 GLY A 59 15.629 2.354 -3.741 1.00 51.40 H new ATOM 0 HA3 GLY A 59 17.332 2.124 -3.398 1.00 51.40 H new ATOM 887 N LYS A 60 15.561 -0.661 -3.361 1.00 25.31 N ATOM 888 CA LYS A 60 15.373 -1.966 -4.000 1.00 13.12 C ATOM 889 C LYS A 60 14.727 -1.872 -5.386 1.00 22.43 C ATOM 890 O LYS A 60 14.906 -2.795 -6.183 1.00 52.50 O ATOM 891 CB LYS A 60 14.533 -2.883 -3.106 1.00 74.34 C ATOM 892 CG LYS A 60 15.347 -3.966 -2.385 1.00 65.21 C ATOM 893 CD LYS A 60 14.420 -5.085 -1.879 1.00 45.34 C ATOM 894 CE LYS A 60 15.156 -6.381 -1.508 1.00 4.32 C ATOM 895 NZ LYS A 60 15.813 -6.356 -0.187 1.00 2.43 N ATOM 0 H LYS A 60 15.090 -0.568 -2.461 1.00 25.31 H new ATOM 0 HA LYS A 60 16.370 -2.385 -4.136 1.00 13.12 H new ATOM 0 HB2 LYS A 60 14.017 -2.276 -2.363 1.00 74.34 H new ATOM 0 HB3 LYS A 60 13.766 -3.363 -3.714 1.00 74.34 H new ATOM 0 HG2 LYS A 60 16.093 -4.381 -3.063 1.00 65.21 H new ATOM 0 HG3 LYS A 60 15.888 -3.526 -1.547 1.00 65.21 H new ATOM 0 HD2 LYS A 60 13.875 -4.725 -1.006 1.00 45.34 H new ATOM 0 HD3 LYS A 60 13.680 -5.306 -2.648 1.00 45.34 H new ATOM 0 HE2 LYS A 60 14.445 -7.207 -1.530 1.00 4.32 H new ATOM 0 HE3 LYS A 60 15.908 -6.587 -2.270 1.00 4.32 H new ATOM 0 HZ1 LYS A 60 16.803 -6.658 -0.286 1.00 2.43 H new ATOM 0 HZ2 LYS A 60 15.782 -5.390 0.198 1.00 2.43 H new ATOM 0 HZ3 LYS A 60 15.317 -7.002 0.460 1.00 2.43 H new ATOM 909 N ARG A 61 13.928 -0.835 -5.650 1.00 43.22 N ATOM 910 CA ARG A 61 13.258 -0.564 -6.920 1.00 3.25 C ATOM 911 C ARG A 61 13.158 0.951 -7.080 1.00 74.10 C ATOM 912 O ARG A 61 13.130 1.640 -6.059 1.00 3.14 O ATOM 913 CB ARG A 61 11.831 -1.150 -6.931 1.00 12.24 C ATOM 914 CG ARG A 61 11.743 -2.678 -6.933 1.00 42.44 C ATOM 915 CD ARG A 61 12.381 -3.316 -8.176 1.00 70.34 C ATOM 916 NE ARG A 61 12.180 -4.770 -8.155 1.00 14.12 N ATOM 917 CZ ARG A 61 11.038 -5.405 -8.447 1.00 61.05 C ATOM 918 NH1 ARG A 61 10.006 -4.756 -8.979 1.00 51.53 N ATOM 919 NH2 ARG A 61 10.940 -6.699 -8.174 1.00 34.21 N ATOM 0 H ARG A 61 13.722 -0.126 -4.946 1.00 43.22 H new ATOM 0 HA ARG A 61 13.827 -1.021 -7.730 1.00 3.25 H new ATOM 0 HB2 ARG A 61 11.297 -0.774 -6.058 1.00 12.24 H new ATOM 0 HB3 ARG A 61 11.310 -0.773 -7.811 1.00 12.24 H new ATOM 0 HG2 ARG A 61 12.234 -3.066 -6.040 1.00 42.44 H new ATOM 0 HG3 ARG A 61 10.696 -2.976 -6.876 1.00 42.44 H new ATOM 0 HD2 ARG A 61 11.940 -2.893 -9.079 1.00 70.34 H new ATOM 0 HD3 ARG A 61 13.447 -3.089 -8.205 1.00 70.34 H new ATOM 0 HE ARG A 61 12.980 -5.347 -7.895 1.00 14.12 H new ATOM 0 HH11 ARG A 61 10.076 -3.757 -9.172 1.00 51.53 H new ATOM 0 HH12 ARG A 61 9.144 -5.258 -9.194 1.00 51.53 H new ATOM 0 HH21 ARG A 61 11.726 -7.192 -7.750 1.00 34.21 H new ATOM 0 HH22 ARG A 61 10.079 -7.202 -8.388 1.00 34.21 H new ATOM 933 N PRO A 62 13.012 1.462 -8.314 1.00 12.55 N ATOM 934 CA PRO A 62 12.841 2.884 -8.560 1.00 4.32 C ATOM 935 C PRO A 62 11.533 3.412 -7.995 1.00 31.22 C ATOM 936 O PRO A 62 10.491 2.764 -8.127 1.00 22.34 O ATOM 937 CB PRO A 62 12.826 3.053 -10.079 1.00 70.44 C ATOM 938 CG PRO A 62 12.468 1.667 -10.610 1.00 64.34 C ATOM 939 CD PRO A 62 13.068 0.733 -9.570 1.00 1.44 C ATOM 0 HA PRO A 62 13.645 3.440 -8.077 1.00 4.32 H new ATOM 0 HB2 PRO A 62 12.094 3.799 -10.389 1.00 70.44 H new ATOM 0 HB3 PRO A 62 13.795 3.384 -10.452 1.00 70.44 H new ATOM 0 HG2 PRO A 62 11.390 1.535 -10.696 1.00 64.34 H new ATOM 0 HG3 PRO A 62 12.891 1.493 -11.600 1.00 64.34 H new ATOM 0 HD2 PRO A 62 12.505 -0.199 -9.508 1.00 1.44 H new ATOM 0 HD3 PRO A 62 14.094 0.469 -9.825 1.00 1.44 H new ATOM 947 N GLU A 63 11.561 4.667 -7.543 1.00 41.40 N ATOM 948 CA GLU A 63 10.395 5.431 -7.119 1.00 63.32 C ATOM 949 C GLU A 63 9.272 5.355 -8.155 1.00 65.31 C ATOM 950 O GLU A 63 8.120 5.146 -7.779 1.00 64.02 O ATOM 951 CB GLU A 63 10.830 6.875 -6.777 1.00 33.35 C ATOM 952 CG GLU A 63 9.684 7.761 -6.247 1.00 22.22 C ATOM 953 CD GLU A 63 10.143 8.935 -5.351 1.00 70.44 C ATOM 954 OE1 GLU A 63 10.811 8.684 -4.317 1.00 25.13 O ATOM 955 OE2 GLU A 63 9.686 10.080 -5.526 1.00 22.05 O ATOM 0 H GLU A 63 12.430 5.195 -7.461 1.00 41.40 H new ATOM 0 HA GLU A 63 9.974 4.995 -6.213 1.00 63.32 H new ATOM 0 HB2 GLU A 63 11.623 6.838 -6.031 1.00 33.35 H new ATOM 0 HB3 GLU A 63 11.252 7.338 -7.669 1.00 33.35 H new ATOM 0 HG2 GLU A 63 9.130 8.163 -7.095 1.00 22.22 H new ATOM 0 HG3 GLU A 63 8.992 7.138 -5.681 1.00 22.22 H new ATOM 962 N ALA A 64 9.611 5.445 -9.445 1.00 74.23 N ATOM 963 CA ALA A 64 8.662 5.408 -10.551 1.00 62.12 C ATOM 964 C ALA A 64 7.771 4.160 -10.528 1.00 13.24 C ATOM 965 O ALA A 64 6.553 4.294 -10.686 1.00 71.04 O ATOM 966 CB ALA A 64 9.428 5.497 -11.873 1.00 12.14 C ATOM 0 H ALA A 64 10.578 5.548 -9.752 1.00 74.23 H new ATOM 0 HA ALA A 64 7.994 6.263 -10.446 1.00 62.12 H new ATOM 0 HB1 ALA A 64 8.723 5.470 -12.704 1.00 12.14 H new ATOM 0 HB2 ALA A 64 9.991 6.430 -11.905 1.00 12.14 H new ATOM 0 HB3 ALA A 64 10.116 4.655 -11.952 1.00 12.14 H new ATOM 972 N GLU A 65 8.349 2.966 -10.341 1.00 63.00 N ATOM 973 CA GLU A 65 7.591 1.723 -10.283 1.00 23.45 C ATOM 974 C GLU A 65 6.622 1.746 -9.099 1.00 54.43 C ATOM 975 O GLU A 65 5.464 1.349 -9.231 1.00 10.11 O ATOM 976 CB GLU A 65 8.564 0.534 -10.185 1.00 62.14 C ATOM 977 CG GLU A 65 7.792 -0.789 -10.229 1.00 73.43 C ATOM 978 CD GLU A 65 8.676 -2.040 -10.274 1.00 24.05 C ATOM 979 OE1 GLU A 65 9.832 -2.018 -9.797 1.00 21.22 O ATOM 980 OE2 GLU A 65 8.196 -3.105 -10.728 1.00 23.04 O ATOM 0 H GLU A 65 9.355 2.842 -10.226 1.00 63.00 H new ATOM 0 HA GLU A 65 7.000 1.614 -11.192 1.00 23.45 H new ATOM 0 HB2 GLU A 65 9.280 0.573 -11.006 1.00 62.14 H new ATOM 0 HB3 GLU A 65 9.136 0.599 -9.259 1.00 62.14 H new ATOM 0 HG2 GLU A 65 7.146 -0.847 -9.353 1.00 73.43 H new ATOM 0 HG3 GLU A 65 7.142 -0.787 -11.104 1.00 73.43 H new ATOM 987 N VAL A 66 7.088 2.226 -7.945 1.00 43.12 N ATOM 988 CA VAL A 66 6.327 2.224 -6.703 1.00 62.22 C ATOM 989 C VAL A 66 5.040 3.040 -6.870 1.00 65.02 C ATOM 990 O VAL A 66 3.972 2.576 -6.458 1.00 70.31 O ATOM 991 CB VAL A 66 7.209 2.744 -5.550 1.00 5.21 C ATOM 992 CG1 VAL A 66 6.459 2.667 -4.218 1.00 30.45 C ATOM 993 CG2 VAL A 66 8.517 1.942 -5.421 1.00 13.44 C ATOM 0 H VAL A 66 8.019 2.632 -7.850 1.00 43.12 H new ATOM 0 HA VAL A 66 6.029 1.206 -6.453 1.00 62.22 H new ATOM 0 HB VAL A 66 7.451 3.780 -5.785 1.00 5.21 H new ATOM 0 HG11 VAL A 66 7.099 3.039 -3.418 1.00 30.45 H new ATOM 0 HG12 VAL A 66 5.556 3.276 -4.273 1.00 30.45 H new ATOM 0 HG13 VAL A 66 6.186 1.632 -4.013 1.00 30.45 H new ATOM 0 HG21 VAL A 66 9.109 2.341 -4.597 1.00 13.44 H new ATOM 0 HG22 VAL A 66 8.284 0.895 -5.227 1.00 13.44 H new ATOM 0 HG23 VAL A 66 9.085 2.021 -6.348 1.00 13.44 H new ATOM 1003 N ARG A 67 5.122 4.232 -7.484 1.00 72.04 N ATOM 1004 CA ARG A 67 3.934 5.056 -7.733 1.00 53.20 C ATOM 1005 C ARG A 67 2.953 4.245 -8.564 1.00 65.13 C ATOM 1006 O ARG A 67 1.804 4.061 -8.177 1.00 2.25 O ATOM 1007 CB ARG A 67 4.226 6.394 -8.450 1.00 13.44 C ATOM 1008 CG ARG A 67 5.590 7.049 -8.227 1.00 54.40 C ATOM 1009 CD ARG A 67 5.952 7.325 -6.758 1.00 64.32 C ATOM 1010 NE ARG A 67 5.824 8.745 -6.403 1.00 12.21 N ATOM 1011 CZ ARG A 67 6.297 9.349 -5.307 1.00 54.42 C ATOM 1012 NH1 ARG A 67 7.019 8.692 -4.405 1.00 11.35 N ATOM 1013 NH2 ARG A 67 6.040 10.631 -5.113 1.00 32.33 N ATOM 0 H ARG A 67 5.995 4.642 -7.815 1.00 72.04 H new ATOM 0 HA ARG A 67 3.525 5.322 -6.759 1.00 53.20 H new ATOM 0 HB2 ARG A 67 4.106 6.231 -9.521 1.00 13.44 H new ATOM 0 HB3 ARG A 67 3.460 7.108 -8.148 1.00 13.44 H new ATOM 0 HG2 ARG A 67 6.358 6.408 -8.659 1.00 54.40 H new ATOM 0 HG3 ARG A 67 5.616 7.991 -8.774 1.00 54.40 H new ATOM 0 HD2 ARG A 67 5.306 6.733 -6.111 1.00 64.32 H new ATOM 0 HD3 ARG A 67 6.975 6.998 -6.572 1.00 64.32 H new ATOM 0 HE ARG A 67 5.319 9.335 -7.065 1.00 12.21 H new ATOM 0 HH11 ARG A 67 7.225 7.702 -4.539 1.00 11.35 H new ATOM 0 HH12 ARG A 67 7.367 9.178 -3.578 1.00 11.35 H new ATOM 0 HH21 ARG A 67 5.486 11.149 -5.795 1.00 32.33 H new ATOM 0 HH22 ARG A 67 6.395 11.102 -4.281 1.00 32.33 H new ATOM 1027 N ALA A 68 3.426 3.753 -9.709 1.00 25.22 N ATOM 1028 CA ALA A 68 2.601 3.043 -10.672 1.00 72.33 C ATOM 1029 C ALA A 68 1.895 1.827 -10.061 1.00 61.40 C ATOM 1030 O ALA A 68 0.710 1.624 -10.339 1.00 73.33 O ATOM 1031 CB ALA A 68 3.461 2.626 -11.859 1.00 1.43 C ATOM 0 H ALA A 68 4.402 3.840 -9.992 1.00 25.22 H new ATOM 0 HA ALA A 68 1.814 3.721 -11.003 1.00 72.33 H new ATOM 0 HB1 ALA A 68 2.846 2.093 -12.584 1.00 1.43 H new ATOM 0 HB2 ALA A 68 3.889 3.512 -12.328 1.00 1.43 H new ATOM 0 HB3 ALA A 68 4.264 1.974 -11.515 1.00 1.43 H new ATOM 1037 N LYS A 69 2.591 1.026 -9.240 1.00 21.01 N ATOM 1038 CA LYS A 69 2.004 -0.094 -8.497 1.00 51.12 C ATOM 1039 C LYS A 69 0.807 0.422 -7.701 1.00 11.12 C ATOM 1040 O LYS A 69 -0.320 -0.039 -7.884 1.00 21.15 O ATOM 1041 CB LYS A 69 3.063 -0.767 -7.596 1.00 65.01 C ATOM 1042 CG LYS A 69 2.710 -2.240 -7.305 1.00 31.04 C ATOM 1043 CD LYS A 69 3.148 -3.177 -8.443 1.00 64.33 C ATOM 1044 CE LYS A 69 2.851 -4.658 -8.195 1.00 23.13 C ATOM 1045 NZ LYS A 69 1.456 -5.065 -8.455 1.00 33.14 N ATOM 0 H LYS A 69 3.591 1.141 -9.073 1.00 21.01 H new ATOM 0 HA LYS A 69 1.655 -0.862 -9.187 1.00 51.12 H new ATOM 0 HB2 LYS A 69 4.038 -0.715 -8.080 1.00 65.01 H new ATOM 0 HB3 LYS A 69 3.143 -0.219 -6.657 1.00 65.01 H new ATOM 0 HG2 LYS A 69 3.189 -2.550 -6.376 1.00 31.04 H new ATOM 0 HG3 LYS A 69 1.634 -2.331 -7.155 1.00 31.04 H new ATOM 0 HD2 LYS A 69 2.650 -2.869 -9.362 1.00 64.33 H new ATOM 0 HD3 LYS A 69 4.219 -3.056 -8.604 1.00 64.33 H new ATOM 0 HE2 LYS A 69 3.511 -5.256 -8.823 1.00 23.13 H new ATOM 0 HE3 LYS A 69 3.096 -4.894 -7.159 1.00 23.13 H new ATOM 0 HZ1 LYS A 69 1.349 -6.081 -8.261 1.00 33.14 H new ATOM 0 HZ2 LYS A 69 0.816 -4.525 -7.838 1.00 33.14 H new ATOM 0 HZ3 LYS A 69 1.219 -4.876 -9.450 1.00 33.14 H new ATOM 1059 N TYR A 70 1.060 1.404 -6.838 1.00 53.34 N ATOM 1060 CA TYR A 70 0.117 1.894 -5.848 1.00 25.04 C ATOM 1061 C TYR A 70 -1.092 2.568 -6.489 1.00 74.00 C ATOM 1062 O TYR A 70 -2.231 2.185 -6.219 1.00 22.23 O ATOM 1063 CB TYR A 70 0.874 2.836 -4.914 1.00 63.23 C ATOM 1064 CG TYR A 70 0.058 3.363 -3.760 1.00 54.51 C ATOM 1065 CD1 TYR A 70 -0.564 2.480 -2.856 1.00 53.30 C ATOM 1066 CD2 TYR A 70 -0.061 4.751 -3.581 1.00 72.34 C ATOM 1067 CE1 TYR A 70 -1.285 2.982 -1.760 1.00 21.04 C ATOM 1068 CE2 TYR A 70 -0.806 5.245 -2.505 1.00 63.10 C ATOM 1069 CZ TYR A 70 -1.421 4.375 -1.586 1.00 61.21 C ATOM 1070 OH TYR A 70 -2.147 4.891 -0.561 1.00 51.12 O ATOM 0 H TYR A 70 1.955 1.892 -6.812 1.00 53.34 H new ATOM 0 HA TYR A 70 -0.291 1.058 -5.280 1.00 25.04 H new ATOM 0 HB2 TYR A 70 1.744 2.312 -4.518 1.00 63.23 H new ATOM 0 HB3 TYR A 70 1.247 3.680 -5.494 1.00 63.23 H new ATOM 0 HD1 TYR A 70 -0.486 1.413 -3.006 1.00 53.30 H new ATOM 0 HD2 TYR A 70 0.419 5.432 -4.269 1.00 72.34 H new ATOM 0 HE1 TYR A 70 -1.735 2.302 -1.051 1.00 21.04 H new ATOM 0 HE2 TYR A 70 -0.911 6.312 -2.378 1.00 63.10 H new ATOM 0 HH TYR A 70 -2.317 4.192 0.104 1.00 51.12 H new ATOM 1080 N GLU A 71 -0.857 3.537 -7.373 1.00 25.04 N ATOM 1081 CA GLU A 71 -1.902 4.294 -8.052 1.00 43.30 C ATOM 1082 C GLU A 71 -2.758 3.346 -8.906 1.00 65.43 C ATOM 1083 O GLU A 71 -3.977 3.517 -9.018 1.00 64.31 O ATOM 1084 CB GLU A 71 -1.262 5.405 -8.912 1.00 30.05 C ATOM 1085 CG GLU A 71 -0.405 6.437 -8.145 1.00 24.21 C ATOM 1086 CD GLU A 71 -1.167 7.592 -7.488 1.00 61.31 C ATOM 1087 OE1 GLU A 71 -2.269 7.361 -6.937 1.00 23.33 O ATOM 1088 OE2 GLU A 71 -0.655 8.736 -7.503 1.00 22.13 O ATOM 0 H GLU A 71 0.085 3.822 -7.641 1.00 25.04 H new ATOM 0 HA GLU A 71 -2.554 4.767 -7.317 1.00 43.30 H new ATOM 0 HB2 GLU A 71 -0.638 4.936 -9.673 1.00 30.05 H new ATOM 0 HB3 GLU A 71 -2.057 5.937 -9.435 1.00 30.05 H new ATOM 0 HG2 GLU A 71 0.154 5.911 -7.371 1.00 24.21 H new ATOM 0 HG3 GLU A 71 0.326 6.857 -8.836 1.00 24.21 H new ATOM 1095 N GLY A 72 -2.136 2.323 -9.508 1.00 32.31 N ATOM 1096 CA GLY A 72 -2.824 1.299 -10.288 1.00 3.54 C ATOM 1097 C GLY A 72 -3.743 0.441 -9.425 1.00 21.35 C ATOM 1098 O GLY A 72 -4.807 -0.002 -9.874 1.00 32.05 O ATOM 0 H GLY A 72 -1.126 2.187 -9.463 1.00 32.31 H new ATOM 0 HA2 GLY A 72 -3.408 1.775 -11.076 1.00 3.54 H new ATOM 0 HA3 GLY A 72 -2.088 0.661 -10.778 1.00 3.54 H new ATOM 1102 N LEU A 73 -3.366 0.228 -8.167 1.00 24.32 N ATOM 1103 CA LEU A 73 -4.062 -0.626 -7.232 1.00 41.12 C ATOM 1104 C LEU A 73 -5.400 -0.072 -6.801 1.00 45.54 C ATOM 1105 O LEU A 73 -6.173 -0.852 -6.260 1.00 24.01 O ATOM 1106 CB LEU A 73 -3.210 -0.858 -5.976 1.00 70.12 C ATOM 1107 CG LEU A 73 -3.187 -2.322 -5.507 1.00 25.24 C ATOM 1108 CD1 LEU A 73 -2.613 -3.276 -6.563 1.00 62.44 C ATOM 1109 CD2 LEU A 73 -2.255 -2.349 -4.299 1.00 3.12 C ATOM 0 H LEU A 73 -2.537 0.665 -7.765 1.00 24.32 H new ATOM 0 HA LEU A 73 -4.237 -1.562 -7.762 1.00 41.12 H new ATOM 0 HB2 LEU A 73 -2.189 -0.533 -6.175 1.00 70.12 H new ATOM 0 HB3 LEU A 73 -3.591 -0.233 -5.168 1.00 70.12 H new ATOM 0 HG LEU A 73 -4.205 -2.650 -5.295 1.00 25.24 H new ATOM 0 HD11 LEU A 73 -2.622 -4.295 -6.176 1.00 62.44 H new ATOM 0 HD12 LEU A 73 -3.220 -3.226 -7.467 1.00 62.44 H new ATOM 0 HD13 LEU A 73 -1.589 -2.986 -6.797 1.00 62.44 H new ATOM 0 HD21 LEU A 73 -2.191 -3.366 -3.911 1.00 3.12 H new ATOM 0 HD22 LEU A 73 -1.263 -2.011 -4.598 1.00 3.12 H new ATOM 0 HD23 LEU A 73 -2.645 -1.689 -3.524 1.00 3.12 H new ATOM 1121 N MET A 74 -5.718 1.207 -7.037 1.00 12.22 N ATOM 1122 CA MET A 74 -7.032 1.741 -6.686 1.00 73.40 C ATOM 1123 C MET A 74 -8.134 0.851 -7.278 1.00 10.15 C ATOM 1124 O MET A 74 -9.072 0.500 -6.565 1.00 31.15 O ATOM 1125 CB MET A 74 -7.159 3.211 -7.117 1.00 23.24 C ATOM 1126 CG MET A 74 -8.529 3.784 -6.728 1.00 54.23 C ATOM 1127 SD MET A 74 -8.709 5.570 -6.978 1.00 42.40 S ATOM 1128 CE MET A 74 -7.873 6.189 -5.490 1.00 3.55 C ATOM 0 H MET A 74 -5.087 1.883 -7.466 1.00 12.22 H new ATOM 0 HA MET A 74 -7.150 1.728 -5.603 1.00 73.40 H new ATOM 0 HB2 MET A 74 -6.369 3.800 -6.650 1.00 23.24 H new ATOM 0 HB3 MET A 74 -7.021 3.290 -8.195 1.00 23.24 H new ATOM 0 HG2 MET A 74 -9.298 3.272 -7.306 1.00 54.23 H new ATOM 0 HG3 MET A 74 -8.716 3.558 -5.678 1.00 54.23 H new ATOM 0 HE1 MET A 74 -7.910 7.278 -5.478 1.00 3.55 H new ATOM 0 HE2 MET A 74 -8.373 5.800 -4.603 1.00 3.55 H new ATOM 0 HE3 MET A 74 -6.833 5.861 -5.494 1.00 3.55 H new ATOM 1138 N ALA A 75 -7.991 0.414 -8.535 1.00 45.20 N ATOM 1139 CA ALA A 75 -8.969 -0.469 -9.156 1.00 21.35 C ATOM 1140 C ALA A 75 -9.024 -1.831 -8.457 1.00 74.00 C ATOM 1141 O ALA A 75 -10.114 -2.303 -8.131 1.00 45.32 O ATOM 1142 CB ALA A 75 -8.643 -0.661 -10.636 1.00 25.34 C ATOM 0 H ALA A 75 -7.205 0.661 -9.137 1.00 45.20 H new ATOM 0 HA ALA A 75 -9.947 0.002 -9.057 1.00 21.35 H new ATOM 0 HB1 ALA A 75 -9.381 -1.323 -11.088 1.00 25.34 H new ATOM 0 HB2 ALA A 75 -8.663 0.305 -11.141 1.00 25.34 H new ATOM 0 HB3 ALA A 75 -7.651 -1.102 -10.736 1.00 25.34 H new ATOM 1148 N VAL A 76 -7.863 -2.463 -8.244 1.00 23.25 N ATOM 1149 CA VAL A 76 -7.784 -3.825 -7.706 1.00 41.25 C ATOM 1150 C VAL A 76 -8.348 -3.830 -6.284 1.00 30.43 C ATOM 1151 O VAL A 76 -9.154 -4.686 -5.917 1.00 12.10 O ATOM 1152 CB VAL A 76 -6.322 -4.331 -7.739 1.00 53.41 C ATOM 1153 CG1 VAL A 76 -6.223 -5.811 -7.335 1.00 45.45 C ATOM 1154 CG2 VAL A 76 -5.681 -4.166 -9.129 1.00 54.21 C ATOM 0 H VAL A 76 -6.954 -2.044 -8.440 1.00 23.25 H new ATOM 0 HA VAL A 76 -8.376 -4.504 -8.320 1.00 41.25 H new ATOM 0 HB VAL A 76 -5.782 -3.716 -7.019 1.00 53.41 H new ATOM 0 HG11 VAL A 76 -5.181 -6.129 -7.371 1.00 45.45 H new ATOM 0 HG12 VAL A 76 -6.607 -5.938 -6.323 1.00 45.45 H new ATOM 0 HG13 VAL A 76 -6.811 -6.417 -8.025 1.00 45.45 H new ATOM 0 HG21 VAL A 76 -4.656 -4.535 -9.103 1.00 54.21 H new ATOM 0 HG22 VAL A 76 -6.252 -4.734 -9.863 1.00 54.21 H new ATOM 0 HG23 VAL A 76 -5.681 -3.112 -9.407 1.00 54.21 H new ATOM 1164 N ALA A 77 -7.940 -2.838 -5.492 1.00 21.11 N ATOM 1165 CA ALA A 77 -8.348 -2.643 -4.121 1.00 65.04 C ATOM 1166 C ALA A 77 -9.863 -2.482 -4.042 1.00 45.30 C ATOM 1167 O ALA A 77 -10.506 -3.102 -3.195 1.00 4.03 O ATOM 1168 CB ALA A 77 -7.654 -1.405 -3.559 1.00 54.43 C ATOM 0 H ALA A 77 -7.287 -2.123 -5.813 1.00 21.11 H new ATOM 0 HA ALA A 77 -8.063 -3.514 -3.531 1.00 65.04 H new ATOM 0 HB1 ALA A 77 -7.960 -1.255 -2.524 1.00 54.43 H new ATOM 0 HB2 ALA A 77 -6.574 -1.543 -3.602 1.00 54.43 H new ATOM 0 HB3 ALA A 77 -7.932 -0.532 -4.150 1.00 54.43 H new ATOM 1174 N LYS A 78 -10.446 -1.628 -4.890 1.00 54.21 N ATOM 1175 CA LYS A 78 -11.881 -1.380 -4.855 1.00 34.35 C ATOM 1176 C LYS A 78 -12.650 -2.630 -5.248 1.00 5.24 C ATOM 1177 O LYS A 78 -13.592 -2.974 -4.539 1.00 5.45 O ATOM 1178 CB LYS A 78 -12.266 -0.162 -5.701 1.00 70.31 C ATOM 1179 CG LYS A 78 -11.878 1.145 -4.979 1.00 14.25 C ATOM 1180 CD LYS A 78 -12.402 2.385 -5.718 1.00 14.15 C ATOM 1181 CE LYS A 78 -13.911 2.504 -5.471 1.00 11.13 C ATOM 1182 NZ LYS A 78 -14.538 3.633 -6.186 1.00 5.45 N ATOM 0 H LYS A 78 -9.944 -1.101 -5.605 1.00 54.21 H new ATOM 0 HA LYS A 78 -12.161 -1.137 -3.830 1.00 34.35 H new ATOM 0 HB2 LYS A 78 -11.766 -0.212 -6.668 1.00 70.31 H new ATOM 0 HB3 LYS A 78 -13.338 -0.172 -5.896 1.00 70.31 H new ATOM 0 HG2 LYS A 78 -12.277 1.131 -3.965 1.00 14.25 H new ATOM 0 HG3 LYS A 78 -10.793 1.205 -4.894 1.00 14.25 H new ATOM 0 HD2 LYS A 78 -11.890 3.280 -5.365 1.00 14.15 H new ATOM 0 HD3 LYS A 78 -12.199 2.302 -6.786 1.00 14.15 H new ATOM 0 HE2 LYS A 78 -14.395 1.577 -5.777 1.00 11.13 H new ATOM 0 HE3 LYS A 78 -14.088 2.618 -4.402 1.00 11.13 H new ATOM 0 HZ1 LYS A 78 -15.556 3.655 -5.975 1.00 5.45 H new ATOM 0 HZ2 LYS A 78 -14.101 4.525 -5.877 1.00 5.45 H new ATOM 0 HZ3 LYS A 78 -14.399 3.516 -7.210 1.00 5.45 H new ATOM 1196 N ALA A 79 -12.235 -3.330 -6.306 1.00 11.23 N ATOM 1197 CA ALA A 79 -12.855 -4.590 -6.690 1.00 73.34 C ATOM 1198 C ALA A 79 -12.804 -5.604 -5.541 1.00 65.44 C ATOM 1199 O ALA A 79 -13.787 -6.303 -5.307 1.00 74.15 O ATOM 1200 CB ALA A 79 -12.178 -5.134 -7.949 1.00 21.44 C ATOM 0 H ALA A 79 -11.468 -3.039 -6.912 1.00 11.23 H new ATOM 0 HA ALA A 79 -13.907 -4.413 -6.912 1.00 73.34 H new ATOM 0 HB1 ALA A 79 -12.644 -6.077 -8.234 1.00 21.44 H new ATOM 0 HB2 ALA A 79 -12.288 -4.415 -8.761 1.00 21.44 H new ATOM 0 HB3 ALA A 79 -11.119 -5.298 -7.751 1.00 21.44 H new