USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 599 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 65 ASN : amide:sc= 0.343 K(o=1.6,f=0.61) USER MOD Set 1.2: A 67 TYR OH : rot 62:sc= 1.24 USER MOD Set 2.1: A 60 HIS : no HD1:sc= -0.211 K(o=0.5,f=-2.1) USER MOD Set 2.2: A 64 LYS NZ :NH3+ -153:sc= 0.716 (180deg=-0.0298) USER MOD Set 3.1: A 56 MET CE :methyl 140:sc= -0.537 (180deg=-3.98) USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 44 ASN : amide:sc= -0.317 K(o=-0.8,f=-13!) USER MOD Set 4.2: A 47 GLN : amide:sc= -0.479 K(o=-0.8,f=-2.4) USER MOD Single : A 21 TYR OH : rot -138:sc= 0.905 USER MOD Single : A 22 GLN : amide:sc= 1.06 K(o=1.1,f=-0.23) USER MOD Single : A 23 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.42) USER MOD Single : A 30 GLN : amide:sc= -1.52! C(o=-1.5!,f=-5.7!) USER MOD Single : A 33 ASN : amide:sc= 0.81 K(o=0.81,f=-0.29) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 37 GLN : amide:sc= 1.17 K(o=1.2,f=-0.12) USER MOD Single : A 38 GLN : amide:sc= -0.858 X(o=-0.86,f=-0.38) USER MOD Single : A 40 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 170:sc= 1.83 USER MOD Single : A 84 ASN : amide:sc= 0.0579 K(o=0.058,f=-0.46) USER MOD Single : A 85 GLN : amide:sc= -0.916 K(o=-0.92,f=-0.38) USER MOD Single : A 87 MET CE :methyl 160:sc= -0.486 (180deg=-1.52) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 7.841 2.252 -4.833 1.00 51.24 N ATOM 69 CA ALA A 18 8.151 0.949 -4.119 1.00 41.12 C ATOM 70 C ALA A 18 7.632 -0.348 -4.798 1.00 53.14 C ATOM 71 O ALA A 18 8.097 -1.439 -4.459 1.00 5.34 O ATOM 72 CB ALA A 18 7.666 1.019 -2.679 1.00 4.24 C ATOM 0 HA ALA A 18 9.236 0.861 -4.169 1.00 41.12 H new ATOM 0 HB1 ALA A 18 7.892 0.080 -2.173 1.00 4.24 H new ATOM 0 HB2 ALA A 18 8.169 1.838 -2.165 1.00 4.24 H new ATOM 0 HB3 ALA A 18 6.589 1.188 -2.666 1.00 4.24 H new ATOM 78 N ALA A 19 6.700 -0.236 -5.745 1.00 14.42 N ATOM 79 CA ALA A 19 6.332 -1.361 -6.627 1.00 35.52 C ATOM 80 C ALA A 19 7.597 -1.791 -7.429 1.00 61.35 C ATOM 81 O ALA A 19 7.677 -2.891 -7.965 1.00 50.54 O ATOM 82 CB ALA A 19 5.215 -0.944 -7.575 1.00 60.15 C ATOM 0 H ALA A 19 6.180 0.623 -5.927 1.00 14.42 H new ATOM 0 HA ALA A 19 5.970 -2.199 -6.032 1.00 35.52 H new ATOM 0 HB1 ALA A 19 4.953 -1.783 -8.220 1.00 60.15 H new ATOM 0 HB2 ALA A 19 4.341 -0.644 -6.997 1.00 60.15 H new ATOM 0 HB3 ALA A 19 5.551 -0.107 -8.187 1.00 60.15 H new ATOM 88 N ASP A 20 8.550 -0.855 -7.479 1.00 73.44 N ATOM 89 CA ASP A 20 9.928 -0.970 -8.005 1.00 2.13 C ATOM 90 C ASP A 20 10.529 -2.324 -7.552 1.00 74.23 C ATOM 91 O ASP A 20 11.001 -3.128 -8.359 1.00 2.20 O ATOM 92 CB ASP A 20 10.691 0.191 -7.307 1.00 44.44 C ATOM 93 CG ASP A 20 12.131 0.468 -7.695 1.00 35.41 C ATOM 94 OD1 ASP A 20 12.885 -0.455 -7.912 1.00 15.23 O ATOM 95 OD2 ASP A 20 12.517 1.683 -7.657 1.00 21.20 O ATOM 0 H ASP A 20 8.369 0.084 -7.125 1.00 73.44 H new ATOM 0 HA ASP A 20 9.980 -0.921 -9.093 1.00 2.13 H new ATOM 0 HB2 ASP A 20 10.123 1.106 -7.477 1.00 44.44 H new ATOM 0 HB3 ASP A 20 10.671 -0.001 -6.234 1.00 44.44 H new ATOM 100 N TYR A 21 10.370 -2.597 -6.247 1.00 61.14 N ATOM 101 CA TYR A 21 10.866 -3.808 -5.579 1.00 61.21 C ATOM 102 C TYR A 21 10.310 -5.065 -6.216 1.00 13.05 C ATOM 103 O TYR A 21 11.026 -6.049 -6.372 1.00 33.52 O ATOM 104 CB TYR A 21 10.456 -3.771 -4.098 1.00 35.01 C ATOM 105 CG TYR A 21 10.909 -4.969 -3.303 1.00 51.35 C ATOM 106 CD1 TYR A 21 12.230 -5.110 -2.961 1.00 32.43 C ATOM 107 CD2 TYR A 21 10.011 -5.956 -2.895 1.00 63.30 C ATOM 108 CE1 TYR A 21 12.666 -6.182 -2.242 1.00 62.52 C ATOM 109 CE2 TYR A 21 10.438 -7.050 -2.166 1.00 63.20 C ATOM 110 CZ TYR A 21 11.769 -7.165 -1.839 1.00 42.15 C ATOM 111 OH TYR A 21 12.212 -8.247 -1.101 1.00 25.34 O ATOM 0 H TYR A 21 9.881 -1.965 -5.613 1.00 61.14 H new ATOM 0 HA TYR A 21 11.951 -3.829 -5.678 1.00 61.21 H new ATOM 0 HB2 TYR A 21 10.865 -2.870 -3.641 1.00 35.01 H new ATOM 0 HB3 TYR A 21 9.370 -3.696 -4.035 1.00 35.01 H new ATOM 0 HD1 TYR A 21 12.939 -4.356 -3.268 1.00 32.43 H new ATOM 0 HD2 TYR A 21 8.966 -5.864 -3.153 1.00 63.30 H new ATOM 0 HE1 TYR A 21 13.711 -6.268 -1.984 1.00 62.52 H new ATOM 0 HE2 TYR A 21 9.733 -7.807 -1.856 1.00 63.20 H new ATOM 0 HH TYR A 21 11.780 -9.064 -1.427 1.00 25.34 H new ATOM 121 N GLN A 22 9.051 -5.015 -6.599 1.00 52.12 N ATOM 122 CA GLN A 22 8.365 -6.179 -7.162 1.00 40.31 C ATOM 123 C GLN A 22 9.007 -6.537 -8.502 1.00 65.21 C ATOM 124 O GLN A 22 9.344 -7.686 -8.759 1.00 75.22 O ATOM 125 CB GLN A 22 6.876 -5.869 -7.355 1.00 52.54 C ATOM 126 CG GLN A 22 5.986 -7.077 -7.628 1.00 34.24 C ATOM 127 CD GLN A 22 5.884 -8.002 -6.426 1.00 54.13 C ATOM 128 OE1 GLN A 22 5.032 -7.818 -5.568 1.00 40.30 O ATOM 129 NE2 GLN A 22 6.694 -9.019 -6.372 1.00 2.14 N ATOM 0 H GLN A 22 8.471 -4.178 -6.533 1.00 52.12 H new ATOM 0 HA GLN A 22 8.456 -7.023 -6.478 1.00 40.31 H new ATOM 0 HB2 GLN A 22 6.509 -5.363 -6.462 1.00 52.54 H new ATOM 0 HB3 GLN A 22 6.773 -5.168 -8.184 1.00 52.54 H new ATOM 0 HG2 GLN A 22 4.989 -6.735 -7.906 1.00 34.24 H new ATOM 0 HG3 GLN A 22 6.382 -7.632 -8.478 1.00 34.24 H new ATOM 0 HE21 GLN A 22 7.396 -9.151 -7.100 1.00 2.14 H new ATOM 0 HE22 GLN A 22 6.627 -9.684 -5.602 1.00 2.14 H new ATOM 138 N GLN A 23 9.239 -5.519 -9.310 1.00 71.02 N ATOM 139 CA GLN A 23 9.848 -5.693 -10.616 1.00 64.22 C ATOM 140 C GLN A 23 11.301 -6.154 -10.468 1.00 3.14 C ATOM 141 O GLN A 23 11.790 -6.956 -11.268 1.00 63.53 O ATOM 142 CB GLN A 23 9.761 -4.381 -11.417 1.00 61.33 C ATOM 143 CG GLN A 23 10.424 -4.416 -12.795 1.00 32.05 C ATOM 144 CD GLN A 23 9.857 -5.483 -13.720 1.00 72.12 C ATOM 145 OE1 GLN A 23 8.700 -5.847 -13.640 1.00 45.21 O ATOM 146 NE2 GLN A 23 10.679 -5.986 -14.607 1.00 34.43 N ATOM 0 H GLN A 23 9.012 -4.551 -9.081 1.00 71.02 H new ATOM 0 HA GLN A 23 9.305 -6.464 -11.163 1.00 64.22 H new ATOM 0 HB2 GLN A 23 8.710 -4.120 -11.543 1.00 61.33 H new ATOM 0 HB3 GLN A 23 10.219 -3.585 -10.831 1.00 61.33 H new ATOM 0 HG2 GLN A 23 10.311 -3.440 -13.268 1.00 32.05 H new ATOM 0 HG3 GLN A 23 11.493 -4.587 -12.670 1.00 32.05 H new ATOM 0 HE21 GLN A 23 11.645 -5.660 -14.650 1.00 34.43 H new ATOM 0 HE22 GLN A 23 10.353 -6.703 -15.255 1.00 34.43 H new ATOM 155 N LEU A 24 11.965 -5.649 -9.435 1.00 12.23 N ATOM 156 CA LEU A 24 13.349 -5.993 -9.124 1.00 65.33 C ATOM 157 C LEU A 24 13.456 -7.523 -8.931 1.00 61.35 C ATOM 158 O LEU A 24 14.160 -8.207 -9.683 1.00 41.42 O ATOM 159 CB LEU A 24 13.784 -5.236 -7.830 1.00 42.13 C ATOM 160 CG LEU A 24 15.293 -4.975 -7.589 1.00 52.24 C ATOM 161 CD1 LEU A 24 15.483 -4.187 -6.306 1.00 33.35 C ATOM 162 CD2 LEU A 24 16.109 -6.257 -7.529 1.00 60.30 C ATOM 0 H LEU A 24 11.554 -4.982 -8.782 1.00 12.23 H new ATOM 0 HA LEU A 24 14.009 -5.697 -9.939 1.00 65.33 H new ATOM 0 HB2 LEU A 24 13.277 -4.271 -7.826 1.00 42.13 H new ATOM 0 HB3 LEU A 24 13.406 -5.798 -6.976 1.00 42.13 H new ATOM 0 HG LEU A 24 15.657 -4.400 -8.441 1.00 52.24 H new ATOM 0 HD11 LEU A 24 16.546 -4.007 -6.143 1.00 33.35 H new ATOM 0 HD12 LEU A 24 14.962 -3.233 -6.384 1.00 33.35 H new ATOM 0 HD13 LEU A 24 15.078 -4.754 -5.468 1.00 33.35 H new ATOM 0 HD21 LEU A 24 17.158 -6.013 -7.358 1.00 60.30 H new ATOM 0 HD22 LEU A 24 15.745 -6.882 -6.714 1.00 60.30 H new ATOM 0 HD23 LEU A 24 16.010 -6.796 -8.472 1.00 60.30 H new ATOM 174 N ARG A 25 12.704 -8.051 -7.970 1.00 13.52 N ATOM 175 CA ARG A 25 12.748 -9.488 -7.647 1.00 71.31 C ATOM 176 C ARG A 25 12.286 -10.394 -8.782 1.00 61.51 C ATOM 177 O ARG A 25 12.981 -11.359 -9.126 1.00 1.44 O ATOM 178 CB ARG A 25 12.034 -9.827 -6.337 1.00 33.20 C ATOM 179 CG ARG A 25 10.795 -9.016 -6.053 1.00 62.30 C ATOM 180 CD ARG A 25 10.003 -9.606 -4.922 1.00 70.31 C ATOM 181 NE ARG A 25 9.362 -10.825 -5.363 1.00 53.44 N ATOM 182 CZ ARG A 25 9.083 -11.879 -4.626 1.00 61.42 C ATOM 183 NH1 ARG A 25 9.463 -11.945 -3.351 1.00 3.22 N ATOM 184 NH2 ARG A 25 8.467 -12.894 -5.196 1.00 72.24 N ATOM 0 H ARG A 25 12.055 -7.512 -7.397 1.00 13.52 H new ATOM 0 HA ARG A 25 13.808 -9.699 -7.504 1.00 71.31 H new ATOM 0 HB2 ARG A 25 11.762 -10.883 -6.352 1.00 33.20 H new ATOM 0 HB3 ARG A 25 12.735 -9.690 -5.514 1.00 33.20 H new ATOM 0 HG2 ARG A 25 11.077 -7.992 -5.807 1.00 62.30 H new ATOM 0 HG3 ARG A 25 10.175 -8.970 -6.948 1.00 62.30 H new ATOM 0 HD2 ARG A 25 10.658 -9.813 -4.075 1.00 70.31 H new ATOM 0 HD3 ARG A 25 9.254 -8.893 -4.578 1.00 70.31 H new ATOM 0 HE ARG A 25 9.099 -10.873 -6.347 1.00 53.44 H new ATOM 0 HH11 ARG A 25 9.978 -11.171 -2.932 1.00 3.22 H new ATOM 0 HH12 ARG A 25 9.238 -12.769 -2.794 1.00 3.22 H new ATOM 0 HH21 ARG A 25 8.219 -12.850 -6.184 1.00 72.24 H new ATOM 0 HH22 ARG A 25 8.238 -13.724 -4.649 1.00 72.24 H new ATOM 198 N GLU A 26 11.156 -10.084 -9.384 1.00 12.01 N ATOM 199 CA GLU A 26 10.649 -10.887 -10.482 1.00 75.11 C ATOM 200 C GLU A 26 11.548 -10.852 -11.728 1.00 34.12 C ATOM 201 O GLU A 26 11.495 -11.746 -12.572 1.00 34.44 O ATOM 202 CB GLU A 26 9.209 -10.557 -10.791 1.00 34.04 C ATOM 203 CG GLU A 26 8.208 -11.398 -9.985 1.00 32.35 C ATOM 204 CD GLU A 26 8.427 -11.402 -8.472 1.00 13.21 C ATOM 205 OE1 GLU A 26 8.470 -10.327 -7.861 1.00 4.15 O ATOM 206 OE2 GLU A 26 8.520 -12.496 -7.864 1.00 13.14 O ATOM 0 H GLU A 26 10.572 -9.286 -9.134 1.00 12.01 H new ATOM 0 HA GLU A 26 10.675 -11.923 -10.144 1.00 75.11 H new ATOM 0 HB2 GLU A 26 9.033 -9.501 -10.587 1.00 34.04 H new ATOM 0 HB3 GLU A 26 9.028 -10.710 -11.855 1.00 34.04 H new ATOM 0 HG2 GLU A 26 7.202 -11.030 -10.189 1.00 32.35 H new ATOM 0 HG3 GLU A 26 8.250 -12.426 -10.344 1.00 32.35 H new ATOM 213 N ARG A 27 12.368 -9.815 -11.857 1.00 72.40 N ATOM 214 CA ARG A 27 13.361 -9.773 -12.877 1.00 62.22 C ATOM 215 C ARG A 27 14.563 -10.613 -12.502 1.00 42.33 C ATOM 216 O ARG A 27 15.157 -11.269 -13.364 1.00 35.45 O ATOM 217 CB ARG A 27 13.757 -8.374 -13.187 1.00 42.14 C ATOM 218 CG ARG A 27 14.880 -8.330 -14.151 1.00 30.22 C ATOM 219 CD ARG A 27 14.630 -9.029 -15.492 1.00 54.44 C ATOM 220 NE ARG A 27 15.899 -9.214 -16.215 1.00 4.04 N ATOM 221 CZ ARG A 27 16.057 -9.762 -17.425 1.00 14.51 C ATOM 222 NH1 ARG A 27 15.021 -10.289 -18.085 1.00 31.12 N ATOM 223 NH2 ARG A 27 17.281 -9.850 -17.932 1.00 3.50 N ATOM 0 H ARG A 27 12.349 -8.994 -11.252 1.00 72.40 H new ATOM 0 HA ARG A 27 12.926 -10.200 -13.781 1.00 62.22 H new ATOM 0 HB2 ARG A 27 12.903 -7.835 -13.597 1.00 42.14 H new ATOM 0 HB3 ARG A 27 14.045 -7.864 -12.268 1.00 42.14 H new ATOM 0 HG2 ARG A 27 15.127 -7.286 -14.346 1.00 30.22 H new ATOM 0 HG3 ARG A 27 15.755 -8.782 -13.683 1.00 30.22 H new ATOM 0 HD2 ARG A 27 14.155 -9.996 -15.323 1.00 54.44 H new ATOM 0 HD3 ARG A 27 13.942 -8.437 -16.096 1.00 54.44 H new ATOM 0 HE ARG A 27 16.745 -8.891 -15.745 1.00 4.04 H new ATOM 0 HH11 ARG A 27 14.091 -10.278 -17.667 1.00 31.12 H new ATOM 0 HH12 ARG A 27 15.161 -10.703 -19.007 1.00 31.12 H new ATOM 0 HH21 ARG A 27 18.079 -9.503 -17.400 1.00 3.50 H new ATOM 0 HH22 ARG A 27 17.423 -10.265 -18.853 1.00 3.50 H new ATOM 237 N LEU A 28 14.900 -10.638 -11.225 1.00 51.44 N ATOM 238 CA LEU A 28 16.023 -11.441 -10.755 1.00 11.05 C ATOM 239 C LEU A 28 15.820 -12.875 -11.111 1.00 1.02 C ATOM 240 O LEU A 28 16.703 -13.501 -11.619 1.00 30.31 O ATOM 241 CB LEU A 28 16.243 -11.305 -9.253 1.00 31.42 C ATOM 242 CG LEU A 28 16.565 -9.912 -8.761 1.00 32.41 C ATOM 243 CD1 LEU A 28 16.941 -9.936 -7.300 1.00 3.42 C ATOM 244 CD2 LEU A 28 17.655 -9.299 -9.605 1.00 15.20 C ATOM 0 H LEU A 28 14.417 -10.115 -10.495 1.00 51.44 H new ATOM 0 HA LEU A 28 16.916 -11.064 -11.253 1.00 11.05 H new ATOM 0 HB2 LEU A 28 15.347 -11.653 -8.740 1.00 31.42 H new ATOM 0 HB3 LEU A 28 17.056 -11.970 -8.962 1.00 31.42 H new ATOM 0 HG LEU A 28 15.676 -9.290 -8.859 1.00 32.41 H new ATOM 0 HD11 LEU A 28 17.169 -8.924 -6.966 1.00 3.42 H new ATOM 0 HD12 LEU A 28 16.110 -10.332 -6.717 1.00 3.42 H new ATOM 0 HD13 LEU A 28 17.817 -10.570 -7.160 1.00 3.42 H new ATOM 0 HD21 LEU A 28 17.877 -8.296 -9.240 1.00 15.20 H new ATOM 0 HD22 LEU A 28 18.552 -9.915 -9.544 1.00 15.20 H new ATOM 0 HD23 LEU A 28 17.324 -9.243 -10.642 1.00 15.20 H new ATOM 256 N ILE A 29 14.611 -13.343 -10.918 1.00 44.22 N ATOM 257 CA ILE A 29 14.204 -14.719 -11.229 1.00 35.22 C ATOM 258 C ILE A 29 14.550 -15.136 -12.648 1.00 21.42 C ATOM 259 O ILE A 29 14.920 -16.274 -12.893 1.00 22.51 O ATOM 260 CB ILE A 29 12.679 -14.908 -10.927 1.00 62.42 C ATOM 261 CG1 ILE A 29 12.494 -15.487 -9.550 1.00 23.11 C ATOM 262 CG2 ILE A 29 11.926 -15.740 -11.972 1.00 2.13 C ATOM 263 CD1 ILE A 29 13.179 -14.726 -8.453 1.00 23.13 C ATOM 0 H ILE A 29 13.855 -12.777 -10.532 1.00 44.22 H new ATOM 0 HA ILE A 29 14.777 -15.382 -10.581 1.00 35.22 H new ATOM 0 HB ILE A 29 12.235 -13.914 -10.977 1.00 62.42 H new ATOM 0 HG12 ILE A 29 11.427 -15.533 -9.330 1.00 23.11 H new ATOM 0 HG13 ILE A 29 12.865 -16.512 -9.549 1.00 23.11 H new ATOM 0 HG21 ILE A 29 10.877 -15.821 -11.686 1.00 2.13 H new ATOM 0 HG22 ILE A 29 12.000 -15.255 -12.945 1.00 2.13 H new ATOM 0 HG23 ILE A 29 12.365 -16.736 -12.029 1.00 2.13 H new ATOM 0 HD11 ILE A 29 12.991 -15.216 -7.498 1.00 23.13 H new ATOM 0 HD12 ILE A 29 14.252 -14.701 -8.643 1.00 23.13 H new ATOM 0 HD13 ILE A 29 12.793 -13.707 -8.421 1.00 23.13 H new ATOM 275 N GLN A 30 14.510 -14.197 -13.537 1.00 71.13 N ATOM 276 CA GLN A 30 14.741 -14.452 -14.929 1.00 62.42 C ATOM 277 C GLN A 30 16.221 -14.692 -15.163 1.00 1.42 C ATOM 278 O GLN A 30 16.607 -15.530 -15.957 1.00 25.33 O ATOM 279 CB GLN A 30 14.254 -13.257 -15.725 1.00 11.20 C ATOM 280 CG GLN A 30 12.867 -12.813 -15.281 1.00 24.43 C ATOM 281 CD GLN A 30 12.320 -11.603 -16.007 1.00 55.24 C ATOM 282 OE1 GLN A 30 12.653 -11.326 -17.157 1.00 30.24 O ATOM 283 NE2 GLN A 30 11.464 -10.876 -15.339 1.00 42.04 N ATOM 0 H GLN A 30 14.314 -13.220 -13.319 1.00 71.13 H new ATOM 0 HA GLN A 30 14.198 -15.341 -15.250 1.00 62.42 H new ATOM 0 HB2 GLN A 30 14.956 -12.431 -15.608 1.00 11.20 H new ATOM 0 HB3 GLN A 30 14.233 -13.510 -16.785 1.00 11.20 H new ATOM 0 HG2 GLN A 30 12.175 -13.644 -15.418 1.00 24.43 H new ATOM 0 HG3 GLN A 30 12.896 -12.595 -14.213 1.00 24.43 H new ATOM 0 HE21 GLN A 30 11.210 -11.135 -14.386 1.00 42.04 H new ATOM 0 HE22 GLN A 30 11.050 -10.050 -15.771 1.00 42.04 H new ATOM 292 N GLU A 31 17.039 -13.942 -14.455 1.00 20.22 N ATOM 293 CA GLU A 31 18.478 -14.076 -14.568 1.00 44.13 C ATOM 294 C GLU A 31 19.025 -15.156 -13.628 1.00 74.51 C ATOM 295 O GLU A 31 20.108 -15.689 -13.849 1.00 32.35 O ATOM 296 CB GLU A 31 19.171 -12.722 -14.356 1.00 63.32 C ATOM 297 CG GLU A 31 18.601 -11.662 -15.279 1.00 2.23 C ATOM 298 CD GLU A 31 19.412 -10.385 -15.382 1.00 34.11 C ATOM 299 OE1 GLU A 31 20.649 -10.446 -15.292 1.00 32.32 O ATOM 300 OE2 GLU A 31 18.822 -9.295 -15.662 1.00 1.43 O ATOM 0 H GLU A 31 16.731 -13.230 -13.792 1.00 20.22 H new ATOM 0 HA GLU A 31 18.704 -14.406 -15.582 1.00 44.13 H new ATOM 0 HB2 GLU A 31 19.051 -12.408 -13.319 1.00 63.32 H new ATOM 0 HB3 GLU A 31 20.241 -12.826 -14.535 1.00 63.32 H new ATOM 0 HG2 GLU A 31 18.500 -12.089 -16.277 1.00 2.23 H new ATOM 0 HG3 GLU A 31 17.597 -11.408 -14.937 1.00 2.23 H new ATOM 307 N LEU A 32 18.273 -15.452 -12.572 1.00 72.23 N ATOM 308 CA LEU A 32 18.669 -16.438 -11.598 1.00 54.25 C ATOM 309 C LEU A 32 18.183 -17.833 -11.984 1.00 23.04 C ATOM 310 O LEU A 32 18.673 -18.830 -11.461 1.00 12.20 O ATOM 311 CB LEU A 32 18.147 -16.059 -10.207 1.00 20.23 C ATOM 312 CG LEU A 32 18.581 -14.696 -9.683 1.00 75.53 C ATOM 313 CD1 LEU A 32 18.146 -14.473 -8.250 1.00 74.34 C ATOM 314 CD2 LEU A 32 20.063 -14.442 -9.868 1.00 62.24 C ATOM 0 H LEU A 32 17.375 -15.010 -12.376 1.00 72.23 H new ATOM 0 HA LEU A 32 19.759 -16.459 -11.573 1.00 54.25 H new ATOM 0 HB2 LEU A 32 17.058 -16.089 -10.228 1.00 20.23 H new ATOM 0 HB3 LEU A 32 18.473 -16.820 -9.498 1.00 20.23 H new ATOM 0 HG LEU A 32 18.064 -13.957 -10.295 1.00 75.53 H new ATOM 0 HD11 LEU A 32 18.477 -13.489 -7.918 1.00 74.34 H new ATOM 0 HD12 LEU A 32 17.059 -14.531 -8.186 1.00 74.34 H new ATOM 0 HD13 LEU A 32 18.588 -15.238 -7.612 1.00 74.34 H new ATOM 0 HD21 LEU A 32 20.315 -13.456 -9.477 1.00 62.24 H new ATOM 0 HD22 LEU A 32 20.632 -15.202 -9.332 1.00 62.24 H new ATOM 0 HD23 LEU A 32 20.310 -14.485 -10.929 1.00 62.24 H new ATOM 326 N ASN A 33 17.182 -17.869 -12.874 1.00 4.43 N ATOM 327 CA ASN A 33 16.597 -19.105 -13.453 1.00 32.34 C ATOM 328 C ASN A 33 15.894 -19.941 -12.334 1.00 12.34 C ATOM 329 O ASN A 33 15.691 -21.148 -12.448 1.00 64.21 O ATOM 330 CB ASN A 33 17.715 -19.915 -14.211 1.00 73.00 C ATOM 331 CG ASN A 33 17.234 -20.976 -15.245 1.00 72.11 C ATOM 332 OD1 ASN A 33 17.883 -21.185 -16.262 1.00 0.14 O ATOM 333 ND2 ASN A 33 16.169 -21.684 -14.980 1.00 52.00 N ATOM 0 H ASN A 33 16.739 -17.021 -13.226 1.00 4.43 H new ATOM 0 HA ASN A 33 15.830 -18.851 -14.185 1.00 32.34 H new ATOM 0 HB2 ASN A 33 18.358 -19.203 -14.729 1.00 73.00 H new ATOM 0 HB3 ASN A 33 18.332 -20.420 -13.468 1.00 73.00 H new ATOM 0 HD21 ASN A 33 15.872 -22.418 -15.623 1.00 52.00 H new ATOM 0 HD22 ASN A 33 15.635 -21.503 -14.130 1.00 52.00 H new ATOM 340 N LEU A 34 15.459 -19.266 -11.296 1.00 44.32 N ATOM 341 CA LEU A 34 14.812 -19.920 -10.171 1.00 5.52 C ATOM 342 C LEU A 34 13.418 -19.350 -9.915 1.00 30.22 C ATOM 343 O LEU A 34 12.960 -18.509 -10.669 1.00 1.23 O ATOM 344 CB LEU A 34 15.727 -19.933 -8.925 1.00 44.34 C ATOM 345 CG LEU A 34 16.412 -18.625 -8.520 1.00 24.21 C ATOM 346 CD1 LEU A 34 15.424 -17.597 -8.029 1.00 34.54 C ATOM 347 CD2 LEU A 34 17.471 -18.898 -7.479 1.00 43.04 C ATOM 0 H LEU A 34 15.540 -18.254 -11.203 1.00 44.32 H new ATOM 0 HA LEU A 34 14.652 -20.967 -10.427 1.00 5.52 H new ATOM 0 HB2 LEU A 34 15.132 -20.274 -8.078 1.00 44.34 H new ATOM 0 HB3 LEU A 34 16.504 -20.679 -9.090 1.00 44.34 H new ATOM 0 HG LEU A 34 16.887 -18.207 -9.408 1.00 24.21 H new ATOM 0 HD11 LEU A 34 15.954 -16.686 -7.753 1.00 34.54 H new ATOM 0 HD12 LEU A 34 14.707 -17.374 -8.820 1.00 34.54 H new ATOM 0 HD13 LEU A 34 14.895 -17.987 -7.159 1.00 34.54 H new ATOM 0 HD21 LEU A 34 17.953 -17.962 -7.197 1.00 43.04 H new ATOM 0 HD22 LEU A 34 17.010 -19.348 -6.600 1.00 43.04 H new ATOM 0 HD23 LEU A 34 18.216 -19.581 -7.888 1.00 43.04 H new ATOM 359 N THR A 35 12.740 -19.811 -8.878 1.00 43.12 N ATOM 360 CA THR A 35 11.407 -19.358 -8.599 1.00 22.12 C ATOM 361 C THR A 35 11.447 -18.186 -7.610 1.00 41.43 C ATOM 362 O THR A 35 12.366 -18.113 -6.801 1.00 53.12 O ATOM 363 CB THR A 35 10.539 -20.525 -8.084 1.00 14.01 C ATOM 364 OG1 THR A 35 11.276 -21.277 -7.118 1.00 33.20 O ATOM 365 CG2 THR A 35 10.124 -21.438 -9.229 1.00 13.11 C ATOM 0 H THR A 35 13.101 -20.501 -8.219 1.00 43.12 H new ATOM 0 HA THR A 35 10.947 -18.997 -9.519 1.00 22.12 H new ATOM 0 HB THR A 35 9.640 -20.112 -7.626 1.00 14.01 H new ATOM 0 HG1 THR A 35 10.724 -22.017 -6.789 1.00 33.20 H new ATOM 0 HG21 THR A 35 9.513 -22.253 -8.841 1.00 13.11 H new ATOM 0 HG22 THR A 35 9.548 -20.868 -9.958 1.00 13.11 H new ATOM 0 HG23 THR A 35 11.013 -21.847 -9.708 1.00 13.11 H new ATOM 373 N PRO A 36 10.447 -17.257 -7.675 1.00 22.30 N ATOM 374 CA PRO A 36 10.414 -15.983 -6.908 1.00 21.13 C ATOM 375 C PRO A 36 10.945 -16.023 -5.471 1.00 54.21 C ATOM 376 O PRO A 36 11.727 -15.173 -5.082 1.00 14.51 O ATOM 377 CB PRO A 36 8.931 -15.595 -6.926 1.00 34.04 C ATOM 378 CG PRO A 36 8.225 -16.651 -7.724 1.00 4.40 C ATOM 379 CD PRO A 36 9.272 -17.338 -8.543 1.00 44.10 C ATOM 0 HA PRO A 36 11.093 -15.269 -7.373 1.00 21.13 H new ATOM 0 HB2 PRO A 36 8.531 -15.542 -5.913 1.00 34.04 H new ATOM 0 HB3 PRO A 36 8.793 -14.612 -7.375 1.00 34.04 H new ATOM 0 HG2 PRO A 36 7.719 -17.359 -7.068 1.00 4.40 H new ATOM 0 HG3 PRO A 36 7.461 -16.208 -8.363 1.00 4.40 H new ATOM 0 HD2 PRO A 36 9.002 -18.370 -8.767 1.00 44.10 H new ATOM 0 HD3 PRO A 36 9.436 -16.837 -9.497 1.00 44.10 H new ATOM 387 N GLN A 37 10.554 -17.005 -4.707 1.00 41.41 N ATOM 388 CA GLN A 37 11.009 -17.080 -3.338 1.00 34.11 C ATOM 389 C GLN A 37 12.158 -18.011 -3.071 1.00 71.53 C ATOM 390 O GLN A 37 12.526 -18.236 -1.931 1.00 32.42 O ATOM 391 CB GLN A 37 9.907 -17.091 -2.297 1.00 21.22 C ATOM 392 CG GLN A 37 9.417 -15.678 -2.036 1.00 34.14 C ATOM 393 CD GLN A 37 8.431 -15.554 -0.913 1.00 3.50 C ATOM 394 OE1 GLN A 37 7.628 -16.446 -0.661 1.00 34.14 O ATOM 395 NE2 GLN A 37 8.529 -14.466 -0.190 1.00 11.22 N ATOM 0 H GLN A 37 9.930 -17.757 -4.999 1.00 41.41 H new ATOM 0 HA GLN A 37 11.479 -16.107 -3.197 1.00 34.11 H new ATOM 0 HB2 GLN A 37 9.080 -17.713 -2.639 1.00 21.22 H new ATOM 0 HB3 GLN A 37 10.276 -17.532 -1.371 1.00 21.22 H new ATOM 0 HG2 GLN A 37 10.277 -15.044 -1.818 1.00 34.14 H new ATOM 0 HG3 GLN A 37 8.960 -15.293 -2.947 1.00 34.14 H new ATOM 0 HE21 GLN A 37 9.212 -13.750 -0.437 1.00 11.22 H new ATOM 0 HE22 GLN A 37 7.922 -14.335 0.620 1.00 11.22 H new ATOM 404 N GLN A 38 12.729 -18.569 -4.117 1.00 75.33 N ATOM 405 CA GLN A 38 13.921 -19.364 -3.952 1.00 22.54 C ATOM 406 C GLN A 38 15.151 -18.496 -4.145 1.00 23.02 C ATOM 407 O GLN A 38 16.271 -18.984 -4.237 1.00 5.12 O ATOM 408 CB GLN A 38 13.914 -20.587 -4.860 1.00 74.24 C ATOM 409 CG GLN A 38 12.865 -21.609 -4.445 1.00 54.12 C ATOM 410 CD GLN A 38 13.131 -22.206 -3.068 1.00 12.33 C ATOM 411 OE1 GLN A 38 13.786 -23.224 -2.946 1.00 23.12 O ATOM 412 NE2 GLN A 38 12.651 -21.561 -2.028 1.00 44.41 N ATOM 0 H GLN A 38 12.392 -18.488 -5.076 1.00 75.33 H new ATOM 0 HA GLN A 38 13.946 -19.753 -2.934 1.00 22.54 H new ATOM 0 HB2 GLN A 38 13.726 -20.273 -5.887 1.00 74.24 H new ATOM 0 HB3 GLN A 38 14.899 -21.054 -4.845 1.00 74.24 H new ATOM 0 HG2 GLN A 38 11.883 -21.136 -4.447 1.00 54.12 H new ATOM 0 HG3 GLN A 38 12.834 -22.410 -5.183 1.00 54.12 H new ATOM 0 HE21 GLN A 38 12.105 -20.710 -2.163 1.00 44.41 H new ATOM 0 HE22 GLN A 38 12.824 -21.912 -1.086 1.00 44.41 H new ATOM 421 N LEU A 39 14.926 -17.191 -4.203 1.00 51.13 N ATOM 422 CA LEU A 39 16.005 -16.264 -4.226 1.00 3.24 C ATOM 423 C LEU A 39 16.234 -15.860 -2.779 1.00 73.11 C ATOM 424 O LEU A 39 15.332 -15.981 -1.938 1.00 42.41 O ATOM 425 CB LEU A 39 15.719 -15.028 -5.170 1.00 3.21 C ATOM 426 CG LEU A 39 14.904 -13.810 -4.634 1.00 71.31 C ATOM 427 CD1 LEU A 39 15.757 -12.919 -3.753 1.00 53.45 C ATOM 428 CD2 LEU A 39 14.368 -12.978 -5.772 1.00 13.11 C ATOM 0 H LEU A 39 13.998 -16.768 -4.234 1.00 51.13 H new ATOM 0 HA LEU A 39 16.903 -16.715 -4.649 1.00 3.24 H new ATOM 0 HB2 LEU A 39 16.683 -14.649 -5.509 1.00 3.21 H new ATOM 0 HB3 LEU A 39 15.197 -15.405 -6.050 1.00 3.21 H new ATOM 0 HG LEU A 39 14.079 -14.216 -4.049 1.00 71.31 H new ATOM 0 HD11 LEU A 39 15.159 -12.080 -3.396 1.00 53.45 H new ATOM 0 HD12 LEU A 39 16.123 -13.492 -2.901 1.00 53.45 H new ATOM 0 HD13 LEU A 39 16.604 -12.543 -4.327 1.00 53.45 H new ATOM 0 HD21 LEU A 39 13.804 -12.135 -5.372 1.00 13.11 H new ATOM 0 HD22 LEU A 39 15.198 -12.607 -6.373 1.00 13.11 H new ATOM 0 HD23 LEU A 39 13.715 -13.590 -6.394 1.00 13.11 H new ATOM 440 N HIS A 40 17.389 -15.379 -2.486 1.00 35.33 N ATOM 441 CA HIS A 40 17.739 -15.013 -1.156 1.00 13.43 C ATOM 442 C HIS A 40 17.183 -13.623 -0.802 1.00 53.12 C ATOM 443 O HIS A 40 17.880 -12.628 -0.947 1.00 54.10 O ATOM 444 CB HIS A 40 19.263 -15.020 -1.034 1.00 40.33 C ATOM 445 CG HIS A 40 19.924 -16.363 -1.237 1.00 42.13 C ATOM 446 ND1 HIS A 40 21.263 -16.523 -1.503 1.00 5.03 N ATOM 447 CD2 HIS A 40 19.407 -17.617 -1.191 1.00 11.34 C ATOM 448 CE1 HIS A 40 21.513 -17.829 -1.613 1.00 51.15 C ATOM 449 NE2 HIS A 40 20.421 -18.535 -1.430 1.00 4.14 N ATOM 0 H HIS A 40 18.129 -15.226 -3.171 1.00 35.33 H new ATOM 0 HA HIS A 40 17.304 -15.729 -0.459 1.00 13.43 H new ATOM 0 HB2 HIS A 40 19.672 -14.319 -1.762 1.00 40.33 H new ATOM 0 HB3 HIS A 40 19.533 -14.647 -0.046 1.00 40.33 H new ATOM 0 HD1 HIS A 40 21.947 -15.773 -1.600 1.00 5.03 H new ATOM 0 HD2 HIS A 40 18.373 -17.862 -0.999 1.00 11.34 H new ATOM 0 HE1 HIS A 40 22.485 -18.250 -1.825 1.00 51.15 H new ATOM 457 N GLU A 41 15.903 -13.540 -0.409 1.00 55.05 N ATOM 458 CA GLU A 41 15.331 -12.233 -0.052 1.00 35.41 C ATOM 459 C GLU A 41 16.007 -11.638 1.170 1.00 31.34 C ATOM 460 O GLU A 41 16.389 -10.484 1.154 1.00 71.40 O ATOM 461 CB GLU A 41 13.787 -12.210 0.075 1.00 13.50 C ATOM 462 CG GLU A 41 13.054 -12.446 -1.246 1.00 2.52 C ATOM 463 CD GLU A 41 11.590 -12.009 -1.229 1.00 71.50 C ATOM 464 OE1 GLU A 41 10.695 -12.839 -0.902 1.00 11.34 O ATOM 465 OE2 GLU A 41 11.300 -10.830 -1.613 1.00 4.33 O ATOM 0 H GLU A 41 15.264 -14.331 -0.332 1.00 55.05 H new ATOM 0 HA GLU A 41 15.546 -11.593 -0.908 1.00 35.41 H new ATOM 0 HB2 GLU A 41 13.480 -12.972 0.791 1.00 13.50 H new ATOM 0 HB3 GLU A 41 13.480 -11.247 0.483 1.00 13.50 H new ATOM 0 HG2 GLU A 41 13.574 -11.909 -2.039 1.00 2.52 H new ATOM 0 HG3 GLU A 41 13.103 -13.506 -1.493 1.00 2.52 H new ATOM 472 N GLU A 42 16.183 -12.434 2.203 1.00 75.40 N ATOM 473 CA GLU A 42 16.890 -11.973 3.394 1.00 33.11 C ATOM 474 C GLU A 42 18.140 -12.843 3.586 1.00 24.05 C ATOM 475 O GLU A 42 18.639 -13.075 4.682 1.00 23.14 O ATOM 476 CB GLU A 42 15.974 -11.978 4.634 1.00 14.34 C ATOM 477 CG GLU A 42 16.586 -11.266 5.855 1.00 35.44 C ATOM 478 CD GLU A 42 16.912 -9.789 5.597 1.00 11.43 C ATOM 479 OE1 GLU A 42 17.841 -9.489 4.790 1.00 2.52 O ATOM 480 OE2 GLU A 42 16.226 -8.927 6.163 1.00 73.33 O ATOM 0 H GLU A 42 15.852 -13.398 2.249 1.00 75.40 H new ATOM 0 HA GLU A 42 17.199 -10.936 3.261 1.00 33.11 H new ATOM 0 HB2 GLU A 42 15.029 -11.498 4.379 1.00 14.34 H new ATOM 0 HB3 GLU A 42 15.745 -13.009 4.902 1.00 14.34 H new ATOM 0 HG2 GLU A 42 15.893 -11.337 6.693 1.00 35.44 H new ATOM 0 HG3 GLU A 42 17.497 -11.786 6.151 1.00 35.44 H new ATOM 487 N SER A 43 18.625 -13.361 2.506 1.00 23.13 N ATOM 488 CA SER A 43 19.820 -14.117 2.540 1.00 62.13 C ATOM 489 C SER A 43 20.800 -13.479 1.565 1.00 61.43 C ATOM 490 O SER A 43 20.374 -12.714 0.706 1.00 53.33 O ATOM 491 CB SER A 43 19.499 -15.581 2.259 1.00 1.04 C ATOM 492 OG SER A 43 18.597 -16.060 3.238 1.00 53.12 O ATOM 0 H SER A 43 18.202 -13.269 1.582 1.00 23.13 H new ATOM 0 HA SER A 43 20.296 -14.109 3.521 1.00 62.13 H new ATOM 0 HB2 SER A 43 19.063 -15.685 1.265 1.00 1.04 H new ATOM 0 HB3 SER A 43 20.414 -16.174 2.270 1.00 1.04 H new ATOM 0 HG SER A 43 18.388 -17.000 3.058 1.00 53.12 H new ATOM 498 N ASN A 44 22.077 -13.760 1.699 1.00 74.43 N ATOM 499 CA ASN A 44 23.090 -13.073 0.890 1.00 55.22 C ATOM 500 C ASN A 44 22.930 -13.384 -0.595 1.00 1.04 C ATOM 501 O ASN A 44 23.081 -14.531 -1.028 1.00 71.43 O ATOM 502 CB ASN A 44 24.505 -13.428 1.358 1.00 54.30 C ATOM 503 CG ASN A 44 25.569 -12.470 0.822 1.00 35.43 C ATOM 504 OD1 ASN A 44 25.430 -11.900 -0.241 1.00 13.24 O ATOM 505 ND2 ASN A 44 26.637 -12.302 1.558 1.00 52.14 N ATOM 0 H ASN A 44 22.448 -14.451 2.351 1.00 74.43 H new ATOM 0 HA ASN A 44 22.938 -12.002 1.028 1.00 55.22 H new ATOM 0 HB2 ASN A 44 24.534 -13.421 2.448 1.00 54.30 H new ATOM 0 HB3 ASN A 44 24.744 -14.443 1.039 1.00 54.30 H new ATOM 0 HD21 ASN A 44 27.381 -11.679 1.243 1.00 52.14 H new ATOM 0 HD22 ASN A 44 26.726 -12.794 2.447 1.00 52.14 H new ATOM 512 N LEU A 45 22.638 -12.359 -1.360 1.00 4.13 N ATOM 513 CA LEU A 45 22.449 -12.475 -2.791 1.00 11.21 C ATOM 514 C LEU A 45 23.746 -12.776 -3.533 1.00 30.35 C ATOM 515 O LEU A 45 23.711 -13.254 -4.648 1.00 13.42 O ATOM 516 CB LEU A 45 21.767 -11.235 -3.369 1.00 51.23 C ATOM 517 CG LEU A 45 20.287 -11.048 -3.039 1.00 13.22 C ATOM 518 CD1 LEU A 45 19.805 -9.694 -3.532 1.00 73.53 C ATOM 519 CD2 LEU A 45 19.467 -12.143 -3.700 1.00 12.44 C ATOM 0 H LEU A 45 22.523 -11.410 -1.005 1.00 4.13 H new ATOM 0 HA LEU A 45 21.790 -13.330 -2.943 1.00 11.21 H new ATOM 0 HB2 LEU A 45 22.307 -10.355 -3.019 1.00 51.23 H new ATOM 0 HB3 LEU A 45 21.873 -11.263 -4.453 1.00 51.23 H new ATOM 0 HG LEU A 45 20.163 -11.101 -1.957 1.00 13.22 H new ATOM 0 HD11 LEU A 45 18.749 -9.574 -3.290 1.00 73.53 H new ATOM 0 HD12 LEU A 45 20.380 -8.905 -3.048 1.00 73.53 H new ATOM 0 HD13 LEU A 45 19.940 -9.631 -4.612 1.00 73.53 H new ATOM 0 HD21 LEU A 45 18.413 -12.003 -3.460 1.00 12.44 H new ATOM 0 HD22 LEU A 45 19.603 -12.097 -4.781 1.00 12.44 H new ATOM 0 HD23 LEU A 45 19.796 -13.115 -3.334 1.00 12.44 H new ATOM 531 N ILE A 46 24.880 -12.542 -2.891 1.00 24.41 N ATOM 532 CA ILE A 46 26.182 -12.827 -3.504 1.00 3.00 C ATOM 533 C ILE A 46 26.438 -14.358 -3.442 1.00 62.24 C ATOM 534 O ILE A 46 27.378 -14.887 -4.023 1.00 4.24 O ATOM 535 CB ILE A 46 27.337 -12.012 -2.801 1.00 32.21 C ATOM 536 CG1 ILE A 46 26.996 -10.505 -2.759 1.00 62.24 C ATOM 537 CG2 ILE A 46 28.684 -12.204 -3.498 1.00 11.32 C ATOM 538 CD1 ILE A 46 26.778 -9.857 -4.118 1.00 2.23 C ATOM 0 H ILE A 46 24.933 -12.157 -1.948 1.00 24.41 H new ATOM 0 HA ILE A 46 26.172 -12.509 -4.547 1.00 3.00 H new ATOM 0 HB ILE A 46 27.420 -12.399 -1.785 1.00 32.21 H new ATOM 0 HG12 ILE A 46 26.096 -10.368 -2.159 1.00 62.24 H new ATOM 0 HG13 ILE A 46 27.803 -9.979 -2.248 1.00 62.24 H new ATOM 0 HG21 ILE A 46 29.448 -11.625 -2.979 1.00 11.32 H new ATOM 0 HG22 ILE A 46 28.955 -13.260 -3.481 1.00 11.32 H new ATOM 0 HG23 ILE A 46 28.611 -11.865 -4.531 1.00 11.32 H new ATOM 0 HD11 ILE A 46 26.544 -8.801 -3.984 1.00 2.23 H new ATOM 0 HD12 ILE A 46 27.683 -9.955 -4.717 1.00 2.23 H new ATOM 0 HD13 ILE A 46 25.950 -10.350 -4.628 1.00 2.23 H new ATOM 550 N GLN A 47 25.577 -15.058 -2.705 1.00 24.52 N ATOM 551 CA GLN A 47 25.596 -16.510 -2.678 1.00 50.12 C ATOM 552 C GLN A 47 24.709 -17.078 -3.783 1.00 54.24 C ATOM 553 O GLN A 47 24.658 -18.279 -4.011 1.00 53.53 O ATOM 554 CB GLN A 47 25.244 -17.091 -1.302 1.00 33.21 C ATOM 555 CG GLN A 47 26.452 -17.286 -0.377 1.00 61.21 C ATOM 556 CD GLN A 47 27.189 -16.009 -0.017 1.00 65.44 C ATOM 557 OE1 GLN A 47 26.890 -15.373 0.978 1.00 55.12 O ATOM 558 NE2 GLN A 47 28.146 -15.623 -0.826 1.00 30.11 N ATOM 0 H GLN A 47 24.857 -14.636 -2.118 1.00 24.52 H new ATOM 0 HA GLN A 47 26.623 -16.821 -2.870 1.00 50.12 H new ATOM 0 HB2 GLN A 47 24.528 -16.430 -0.813 1.00 33.21 H new ATOM 0 HB3 GLN A 47 24.748 -18.051 -1.441 1.00 33.21 H new ATOM 0 HG2 GLN A 47 26.115 -17.766 0.542 1.00 61.21 H new ATOM 0 HG3 GLN A 47 27.152 -17.971 -0.856 1.00 61.21 H new ATOM 0 HE21 GLN A 47 28.371 -16.179 -1.651 1.00 30.11 H new ATOM 0 HE22 GLN A 47 28.665 -14.767 -0.630 1.00 30.11 H new ATOM 567 N ALA A 48 24.001 -16.188 -4.438 1.00 64.14 N ATOM 568 CA ALA A 48 23.173 -16.503 -5.573 1.00 61.33 C ATOM 569 C ALA A 48 23.877 -15.916 -6.785 1.00 32.14 C ATOM 570 O ALA A 48 24.966 -15.349 -6.632 1.00 15.04 O ATOM 571 CB ALA A 48 21.779 -15.902 -5.403 1.00 32.11 C ATOM 0 H ALA A 48 23.986 -15.199 -4.188 1.00 64.14 H new ATOM 0 HA ALA A 48 23.037 -17.579 -5.683 1.00 61.33 H new ATOM 0 HB1 ALA A 48 21.167 -16.150 -6.270 1.00 32.11 H new ATOM 0 HB2 ALA A 48 21.315 -16.307 -4.504 1.00 32.11 H new ATOM 0 HB3 ALA A 48 21.858 -14.819 -5.313 1.00 32.11 H new ATOM 577 N GLY A 49 23.313 -16.028 -7.974 1.00 13.43 N ATOM 578 CA GLY A 49 24.016 -15.472 -9.104 1.00 53.34 C ATOM 579 C GLY A 49 23.786 -13.981 -9.217 1.00 12.10 C ATOM 580 O GLY A 49 22.929 -13.524 -9.954 1.00 53.30 O ATOM 0 H GLY A 49 22.418 -16.475 -8.174 1.00 13.43 H new ATOM 0 HA2 GLY A 49 25.083 -15.671 -9.004 1.00 53.34 H new ATOM 0 HA3 GLY A 49 23.684 -15.963 -10.019 1.00 53.34 H new ATOM 584 N LEU A 50 24.585 -13.242 -8.527 1.00 4.45 N ATOM 585 CA LEU A 50 24.525 -11.836 -8.540 1.00 13.11 C ATOM 586 C LEU A 50 25.928 -11.280 -8.629 1.00 74.45 C ATOM 587 O LEU A 50 26.670 -11.252 -7.647 1.00 70.33 O ATOM 588 CB LEU A 50 23.807 -11.313 -7.294 1.00 70.33 C ATOM 589 CG LEU A 50 23.760 -9.798 -7.166 1.00 34.20 C ATOM 590 CD1 LEU A 50 22.852 -9.184 -8.209 1.00 73.43 C ATOM 591 CD2 LEU A 50 23.362 -9.361 -5.780 1.00 53.13 C ATOM 0 H LEU A 50 25.316 -13.618 -7.923 1.00 4.45 H new ATOM 0 HA LEU A 50 23.955 -11.507 -9.409 1.00 13.11 H new ATOM 0 HB2 LEU A 50 22.786 -11.694 -7.295 1.00 70.33 H new ATOM 0 HB3 LEU A 50 24.299 -11.722 -6.411 1.00 70.33 H new ATOM 0 HG LEU A 50 24.772 -9.434 -7.344 1.00 34.20 H new ATOM 0 HD11 LEU A 50 22.841 -8.101 -8.090 1.00 73.43 H new ATOM 0 HD12 LEU A 50 23.219 -9.436 -9.204 1.00 73.43 H new ATOM 0 HD13 LEU A 50 21.841 -9.573 -8.086 1.00 73.43 H new ATOM 0 HD21 LEU A 50 23.341 -8.272 -5.734 1.00 53.13 H new ATOM 0 HD22 LEU A 50 22.372 -9.753 -5.545 1.00 53.13 H new ATOM 0 HD23 LEU A 50 24.084 -9.741 -5.057 1.00 53.13 H new ATOM 603 N ASP A 51 26.293 -10.925 -9.817 1.00 3.43 N ATOM 604 CA ASP A 51 27.569 -10.327 -10.102 1.00 53.01 C ATOM 605 C ASP A 51 27.436 -8.822 -10.091 1.00 14.24 C ATOM 606 O ASP A 51 26.368 -8.283 -9.752 1.00 53.14 O ATOM 607 CB ASP A 51 28.094 -10.802 -11.449 1.00 71.31 C ATOM 608 CG ASP A 51 27.087 -10.595 -12.560 1.00 62.15 C ATOM 609 OD1 ASP A 51 26.772 -9.449 -12.901 1.00 14.41 O ATOM 610 OD2 ASP A 51 26.561 -11.586 -13.076 1.00 33.23 O ATOM 0 H ASP A 51 25.703 -11.043 -10.640 1.00 3.43 H new ATOM 0 HA ASP A 51 28.281 -10.630 -9.334 1.00 53.01 H new ATOM 0 HB2 ASP A 51 29.012 -10.266 -11.689 1.00 71.31 H new ATOM 0 HB3 ASP A 51 28.350 -11.860 -11.385 1.00 71.31 H new ATOM 680 N ILE A 53 27.602 -6.814 -12.656 1.00 50.43 N ATOM 681 CA ILE A 53 26.984 -6.276 -13.792 1.00 52.30 C ATOM 682 C ILE A 53 25.492 -6.304 -13.546 1.00 42.02 C ATOM 683 O ILE A 53 24.735 -5.458 -14.034 1.00 4.20 O ATOM 684 CB ILE A 53 27.417 -7.000 -15.098 1.00 54.42 C ATOM 685 CG1 ILE A 53 27.693 -5.982 -16.181 1.00 15.24 C ATOM 686 CG2 ILE A 53 26.408 -8.050 -15.599 1.00 35.35 C ATOM 687 CD1 ILE A 53 26.534 -5.049 -16.452 1.00 62.43 C ATOM 0 HA ILE A 53 27.301 -5.245 -13.951 1.00 52.30 H new ATOM 0 HB ILE A 53 28.324 -7.552 -14.854 1.00 54.42 H new ATOM 0 HG12 ILE A 53 28.564 -5.391 -15.898 1.00 15.24 H new ATOM 0 HG13 ILE A 53 27.949 -6.506 -17.102 1.00 15.24 H new ATOM 0 HG21 ILE A 53 26.784 -8.509 -16.513 1.00 35.35 H new ATOM 0 HG22 ILE A 53 26.273 -8.817 -14.837 1.00 35.35 H new ATOM 0 HG23 ILE A 53 25.452 -7.568 -15.802 1.00 35.35 H new ATOM 0 HD11 ILE A 53 26.808 -4.348 -17.241 1.00 62.43 H new ATOM 0 HD12 ILE A 53 25.666 -5.629 -16.767 1.00 62.43 H new ATOM 0 HD13 ILE A 53 26.291 -4.497 -15.544 1.00 62.43 H new ATOM 699 N ARG A 54 25.070 -7.277 -12.780 1.00 53.14 N ATOM 700 CA ARG A 54 23.736 -7.277 -12.291 1.00 41.21 C ATOM 701 C ARG A 54 23.595 -6.115 -11.343 1.00 44.21 C ATOM 702 O ARG A 54 22.782 -5.234 -11.565 1.00 44.33 O ATOM 703 CB ARG A 54 23.373 -8.583 -11.590 1.00 54.13 C ATOM 704 CG ARG A 54 22.788 -9.663 -12.483 1.00 11.32 C ATOM 705 CD ARG A 54 23.730 -10.144 -13.571 1.00 43.14 C ATOM 706 NE ARG A 54 23.037 -11.126 -14.416 1.00 33.12 N ATOM 707 CZ ARG A 54 23.521 -12.295 -14.841 1.00 11.25 C ATOM 708 NH1 ARG A 54 24.760 -12.669 -14.550 1.00 62.21 N ATOM 709 NH2 ARG A 54 22.734 -13.097 -15.554 1.00 1.33 N ATOM 0 H ARG A 54 25.637 -8.073 -12.488 1.00 53.14 H new ATOM 0 HA ARG A 54 23.050 -7.182 -13.132 1.00 41.21 H new ATOM 0 HB2 ARG A 54 24.268 -8.978 -11.110 1.00 54.13 H new ATOM 0 HB3 ARG A 54 22.657 -8.363 -10.798 1.00 54.13 H new ATOM 0 HG2 ARG A 54 22.499 -10.513 -11.865 1.00 11.32 H new ATOM 0 HG3 ARG A 54 21.878 -9.282 -12.947 1.00 11.32 H new ATOM 0 HD2 ARG A 54 24.067 -9.301 -14.175 1.00 43.14 H new ATOM 0 HD3 ARG A 54 24.618 -10.593 -13.126 1.00 43.14 H new ATOM 0 HE ARG A 54 22.089 -10.890 -14.708 1.00 33.12 H new ATOM 0 HH11 ARG A 54 25.359 -12.060 -13.993 1.00 62.21 H new ATOM 0 HH12 ARG A 54 25.114 -13.566 -14.883 1.00 62.21 H new ATOM 0 HH21 ARG A 54 21.777 -12.815 -15.768 1.00 1.33 H new ATOM 0 HH22 ARG A 54 23.087 -13.994 -15.887 1.00 1.33 H new ATOM 723 N LEU A 55 24.464 -6.082 -10.343 1.00 64.42 N ATOM 724 CA LEU A 55 24.471 -5.037 -9.323 1.00 11.22 C ATOM 725 C LEU A 55 24.512 -3.629 -9.898 1.00 22.22 C ATOM 726 O LEU A 55 23.680 -2.808 -9.534 1.00 61.11 O ATOM 727 CB LEU A 55 25.614 -5.250 -8.347 1.00 0.11 C ATOM 728 CG LEU A 55 25.431 -6.396 -7.359 1.00 13.41 C ATOM 729 CD1 LEU A 55 26.765 -6.901 -6.866 1.00 72.30 C ATOM 730 CD2 LEU A 55 24.607 -5.911 -6.181 1.00 61.11 C ATOM 0 H LEU A 55 25.192 -6.785 -10.213 1.00 64.42 H new ATOM 0 HA LEU A 55 23.523 -5.122 -8.793 1.00 11.22 H new ATOM 0 HB2 LEU A 55 26.526 -5.427 -8.917 1.00 0.11 H new ATOM 0 HB3 LEU A 55 25.764 -4.329 -7.784 1.00 0.11 H new ATOM 0 HG LEU A 55 24.919 -7.215 -7.864 1.00 13.41 H new ATOM 0 HD11 LEU A 55 26.607 -7.718 -6.162 1.00 72.30 H new ATOM 0 HD12 LEU A 55 27.354 -7.258 -7.711 1.00 72.30 H new ATOM 0 HD13 LEU A 55 27.299 -6.092 -6.368 1.00 72.30 H new ATOM 0 HD21 LEU A 55 24.473 -6.727 -5.471 1.00 61.11 H new ATOM 0 HD22 LEU A 55 25.123 -5.085 -5.692 1.00 61.11 H new ATOM 0 HD23 LEU A 55 23.633 -5.573 -6.533 1.00 61.11 H new ATOM 742 N MET A 56 25.442 -3.345 -10.815 1.00 10.22 N ATOM 743 CA MET A 56 25.535 -1.980 -11.340 1.00 54.31 C ATOM 744 C MET A 56 24.312 -1.608 -12.158 1.00 50.22 C ATOM 745 O MET A 56 23.912 -0.445 -12.185 1.00 44.22 O ATOM 746 CB MET A 56 26.837 -1.688 -12.097 1.00 61.53 C ATOM 747 CG MET A 56 28.134 -1.751 -11.259 1.00 1.44 C ATOM 748 SD MET A 56 28.070 -0.847 -9.693 1.00 42.00 S ATOM 749 CE MET A 56 27.451 -2.102 -8.554 1.00 60.41 C ATOM 0 H MET A 56 26.115 -4.010 -11.196 1.00 10.22 H new ATOM 0 HA MET A 56 25.562 -1.334 -10.462 1.00 54.31 H new ATOM 0 HB2 MET A 56 26.924 -2.399 -12.919 1.00 61.53 H new ATOM 0 HB3 MET A 56 26.762 -0.695 -12.540 1.00 61.53 H new ATOM 0 HG2 MET A 56 28.365 -2.796 -11.050 1.00 1.44 H new ATOM 0 HG3 MET A 56 28.956 -1.357 -11.857 1.00 1.44 H new ATOM 0 HE1 MET A 56 27.976 -2.020 -7.602 1.00 60.41 H new ATOM 0 HE2 MET A 56 26.383 -1.953 -8.394 1.00 60.41 H new ATOM 0 HE3 MET A 56 27.619 -3.092 -8.977 1.00 60.41 H new ATOM 759 N ARG A 57 23.695 -2.602 -12.794 1.00 13.03 N ATOM 760 CA ARG A 57 22.443 -2.389 -13.485 1.00 72.25 C ATOM 761 C ARG A 57 21.364 -1.992 -12.542 1.00 20.45 C ATOM 762 O ARG A 57 20.602 -1.088 -12.825 1.00 74.54 O ATOM 763 CB ARG A 57 22.010 -3.592 -14.223 1.00 74.15 C ATOM 764 CG ARG A 57 22.571 -3.630 -15.600 1.00 74.12 C ATOM 765 CD ARG A 57 21.902 -4.695 -16.350 1.00 25.11 C ATOM 766 NE ARG A 57 22.342 -6.025 -15.936 1.00 75.41 N ATOM 767 CZ ARG A 57 21.562 -7.110 -15.852 1.00 3.41 C ATOM 768 NH1 ARG A 57 20.236 -7.010 -15.925 1.00 50.40 N ATOM 769 NH2 ARG A 57 22.107 -8.288 -15.656 1.00 2.30 N ATOM 0 H ARG A 57 24.048 -3.558 -12.840 1.00 13.03 H new ATOM 0 HA ARG A 57 22.621 -1.582 -14.196 1.00 72.25 H new ATOM 0 HB2 ARG A 57 22.322 -4.483 -13.679 1.00 74.15 H new ATOM 0 HB3 ARG A 57 20.921 -3.615 -14.274 1.00 74.15 H new ATOM 0 HG2 ARG A 57 22.424 -2.670 -16.095 1.00 74.12 H new ATOM 0 HG3 ARG A 57 23.646 -3.810 -15.565 1.00 74.12 H new ATOM 0 HD2 ARG A 57 20.824 -4.612 -16.212 1.00 25.11 H new ATOM 0 HD3 ARG A 57 22.098 -4.565 -17.414 1.00 25.11 H new ATOM 0 HE ARG A 57 23.326 -6.136 -15.690 1.00 75.41 H new ATOM 0 HH11 ARG A 57 19.799 -6.096 -16.047 1.00 50.40 H new ATOM 0 HH12 ARG A 57 19.657 -7.847 -15.859 1.00 50.40 H new ATOM 0 HH21 ARG A 57 23.120 -8.373 -15.569 1.00 2.30 H new ATOM 0 HH22 ARG A 57 21.518 -9.118 -15.591 1.00 2.30 H new ATOM 783 N TRP A 58 21.318 -2.672 -11.412 1.00 24.24 N ATOM 784 CA TRP A 58 20.347 -2.379 -10.368 1.00 54.24 C ATOM 785 C TRP A 58 20.467 -0.974 -9.879 1.00 32.51 C ATOM 786 O TRP A 58 19.493 -0.223 -9.942 1.00 73.32 O ATOM 787 CB TRP A 58 20.360 -3.448 -9.263 1.00 54.52 C ATOM 788 CG TRP A 58 19.995 -4.781 -9.847 1.00 51.10 C ATOM 789 CD1 TRP A 58 20.643 -5.962 -9.679 1.00 72.41 C ATOM 790 CD2 TRP A 58 18.906 -5.043 -10.763 1.00 1.34 C ATOM 791 NE1 TRP A 58 20.061 -6.933 -10.458 1.00 3.10 N ATOM 792 CE2 TRP A 58 18.987 -6.390 -11.121 1.00 22.12 C ATOM 793 CE3 TRP A 58 17.871 -4.261 -11.317 1.00 30.21 C ATOM 794 CZ2 TRP A 58 18.091 -6.972 -12.011 1.00 0.31 C ATOM 795 CZ3 TRP A 58 16.988 -4.846 -12.183 1.00 11.11 C ATOM 796 CH2 TRP A 58 17.106 -6.184 -12.525 1.00 33.34 C ATOM 0 H TRP A 58 21.950 -3.441 -11.190 1.00 24.24 H new ATOM 0 HA TRP A 58 19.349 -2.438 -10.802 1.00 54.24 H new ATOM 0 HB2 TRP A 58 21.347 -3.499 -8.804 1.00 54.52 H new ATOM 0 HB3 TRP A 58 19.656 -3.180 -8.475 1.00 54.52 H new ATOM 0 HD1 TRP A 58 21.491 -6.116 -9.029 1.00 72.41 H new ATOM 0 HE1 TRP A 58 20.375 -7.900 -10.532 1.00 3.10 H new ATOM 0 HE3 TRP A 58 17.777 -3.216 -11.061 1.00 30.21 H new ATOM 0 HZ2 TRP A 58 18.173 -8.013 -12.285 1.00 0.31 H new ATOM 0 HZ3 TRP A 58 16.188 -4.257 -12.606 1.00 11.11 H new ATOM 0 HH2 TRP A 58 16.398 -6.613 -13.218 1.00 33.34 H new ATOM 807 N LEU A 59 21.663 -0.578 -9.497 1.00 24.21 N ATOM 808 CA LEU A 59 21.935 0.797 -9.029 1.00 33.44 C ATOM 809 C LEU A 59 21.468 1.805 -10.023 1.00 4.24 C ATOM 810 O LEU A 59 20.738 2.728 -9.694 1.00 31.20 O ATOM 811 CB LEU A 59 23.427 1.018 -8.811 1.00 44.54 C ATOM 812 CG LEU A 59 24.011 0.588 -7.484 1.00 5.34 C ATOM 813 CD1 LEU A 59 23.551 1.504 -6.368 1.00 62.44 C ATOM 814 CD2 LEU A 59 23.679 -0.847 -7.189 1.00 1.23 C ATOM 0 H LEU A 59 22.482 -1.185 -9.496 1.00 24.21 H new ATOM 0 HA LEU A 59 21.396 0.919 -8.089 1.00 33.44 H new ATOM 0 HB2 LEU A 59 23.964 0.492 -9.601 1.00 44.54 H new ATOM 0 HB3 LEU A 59 23.632 2.081 -8.940 1.00 44.54 H new ATOM 0 HG LEU A 59 25.096 0.667 -7.550 1.00 5.34 H new ATOM 0 HD11 LEU A 59 23.985 1.174 -5.424 1.00 62.44 H new ATOM 0 HD12 LEU A 59 23.873 2.524 -6.578 1.00 62.44 H new ATOM 0 HD13 LEU A 59 22.464 1.474 -6.298 1.00 62.44 H new ATOM 0 HD21 LEU A 59 24.111 -1.130 -6.229 1.00 1.23 H new ATOM 0 HD22 LEU A 59 22.597 -0.969 -7.150 1.00 1.23 H new ATOM 0 HD23 LEU A 59 24.088 -1.484 -7.973 1.00 1.23 H new ATOM 826 N HIS A 60 21.866 1.589 -11.237 1.00 61.32 N ATOM 827 CA HIS A 60 21.582 2.464 -12.325 1.00 51.31 C ATOM 828 C HIS A 60 20.077 2.488 -12.667 1.00 31.44 C ATOM 829 O HIS A 60 19.547 3.529 -13.114 1.00 72.31 O ATOM 830 CB HIS A 60 22.438 2.018 -13.510 1.00 55.24 C ATOM 831 CG HIS A 60 22.242 2.813 -14.783 1.00 33.13 C ATOM 832 ND1 HIS A 60 23.060 3.846 -15.190 1.00 25.54 N ATOM 833 CD2 HIS A 60 21.265 2.725 -15.720 1.00 55.54 C ATOM 834 CE1 HIS A 60 22.560 4.349 -16.325 1.00 64.21 C ATOM 835 NE2 HIS A 60 21.460 3.702 -16.688 1.00 65.14 N ATOM 0 H HIS A 60 22.415 0.772 -11.504 1.00 61.32 H new ATOM 0 HA HIS A 60 21.831 3.491 -12.056 1.00 51.31 H new ATOM 0 HB2 HIS A 60 23.488 2.077 -13.222 1.00 55.24 H new ATOM 0 HB3 HIS A 60 22.223 0.970 -13.719 1.00 55.24 H new ATOM 0 HD2 HIS A 60 20.459 2.006 -15.714 1.00 55.54 H new ATOM 0 HE1 HIS A 60 22.994 5.172 -16.873 1.00 64.21 H new ATOM 0 HE2 HIS A 60 20.879 3.884 -17.506 1.00 65.14 H new ATOM 843 N TRP A 61 19.410 1.378 -12.457 1.00 64.12 N ATOM 844 CA TRP A 61 18.001 1.240 -12.756 1.00 44.01 C ATOM 845 C TRP A 61 17.162 2.092 -11.814 1.00 11.11 C ATOM 846 O TRP A 61 16.525 3.061 -12.258 1.00 12.45 O ATOM 847 CB TRP A 61 17.597 -0.235 -12.672 1.00 41.52 C ATOM 848 CG TRP A 61 16.137 -0.490 -12.932 1.00 64.23 C ATOM 849 CD1 TRP A 61 15.438 -0.226 -14.076 1.00 63.20 C ATOM 850 CD2 TRP A 61 15.212 -1.082 -12.027 1.00 34.20 C ATOM 851 NE1 TRP A 61 14.125 -0.598 -13.919 1.00 70.40 N ATOM 852 CE2 TRP A 61 13.964 -1.132 -12.666 1.00 73.33 C ATOM 853 CE3 TRP A 61 15.323 -1.565 -10.738 1.00 34.11 C ATOM 854 CZ2 TRP A 61 12.831 -1.656 -12.041 1.00 2.53 C ATOM 855 CZ3 TRP A 61 14.210 -2.086 -10.122 1.00 4.32 C ATOM 856 CH2 TRP A 61 12.979 -2.127 -10.773 1.00 31.55 C ATOM 0 H TRP A 61 19.833 0.535 -12.069 1.00 64.12 H new ATOM 0 HA TRP A 61 17.818 1.595 -13.770 1.00 44.01 H new ATOM 0 HB2 TRP A 61 18.187 -0.803 -13.391 1.00 41.52 H new ATOM 0 HB3 TRP A 61 17.850 -0.614 -11.682 1.00 41.52 H new ATOM 0 HD1 TRP A 61 15.856 0.210 -14.971 1.00 63.20 H new ATOM 0 HE1 TRP A 61 13.391 -0.494 -14.619 1.00 70.40 H new ATOM 0 HE3 TRP A 61 16.271 -1.534 -10.221 1.00 34.11 H new ATOM 0 HZ2 TRP A 61 11.876 -1.686 -12.544 1.00 2.53 H new ATOM 0 HZ3 TRP A 61 14.291 -2.470 -9.116 1.00 4.32 H new ATOM 0 HH2 TRP A 61 12.124 -2.542 -10.260 1.00 31.55 H new ATOM 867 N PHE A 62 17.233 1.805 -10.521 1.00 44.22 N ATOM 868 CA PHE A 62 16.485 2.576 -9.543 1.00 53.44 C ATOM 869 C PHE A 62 16.965 4.007 -9.423 1.00 31.32 C ATOM 870 O PHE A 62 16.203 4.893 -9.060 1.00 22.34 O ATOM 871 CB PHE A 62 16.235 1.872 -8.176 1.00 1.30 C ATOM 872 CG PHE A 62 17.166 0.790 -7.785 1.00 33.11 C ATOM 873 CD1 PHE A 62 18.393 1.054 -7.205 1.00 13.03 C ATOM 874 CD2 PHE A 62 16.795 -0.514 -8.000 1.00 64.25 C ATOM 875 CE1 PHE A 62 19.233 0.009 -6.866 1.00 65.33 C ATOM 876 CE2 PHE A 62 17.609 -1.548 -7.665 1.00 40.14 C ATOM 877 CZ PHE A 62 18.828 -1.298 -7.104 1.00 75.41 C ATOM 0 H PHE A 62 17.796 1.050 -10.130 1.00 44.22 H new ATOM 0 HA PHE A 62 15.482 2.632 -9.966 1.00 53.44 H new ATOM 0 HB2 PHE A 62 16.258 2.633 -7.396 1.00 1.30 H new ATOM 0 HB3 PHE A 62 15.226 1.459 -8.190 1.00 1.30 H new ATOM 0 HD1 PHE A 62 18.695 2.074 -7.017 1.00 13.03 H new ATOM 0 HD2 PHE A 62 15.834 -0.722 -8.446 1.00 64.25 H new ATOM 0 HE1 PHE A 62 20.196 0.208 -6.420 1.00 65.33 H new ATOM 0 HE2 PHE A 62 17.293 -2.565 -7.842 1.00 40.14 H new ATOM 0 HZ PHE A 62 19.480 -2.119 -6.844 1.00 75.41 H new ATOM 887 N ARG A 63 18.224 4.249 -9.788 1.00 63.14 N ATOM 888 CA ARG A 63 18.844 5.592 -9.741 1.00 25.45 C ATOM 889 C ARG A 63 17.989 6.658 -10.464 1.00 4.11 C ATOM 890 O ARG A 63 18.138 7.840 -10.203 1.00 40.41 O ATOM 891 CB ARG A 63 20.232 5.564 -10.381 1.00 0.25 C ATOM 892 CG ARG A 63 21.133 6.730 -10.010 1.00 3.43 C ATOM 893 CD ARG A 63 21.391 6.730 -8.515 1.00 43.03 C ATOM 894 NE ARG A 63 22.449 7.666 -8.113 1.00 45.14 N ATOM 895 CZ ARG A 63 23.346 7.400 -7.147 1.00 4.22 C ATOM 896 NH1 ARG A 63 23.268 6.249 -6.481 1.00 20.42 N ATOM 897 NH2 ARG A 63 24.303 8.282 -6.844 1.00 52.31 N ATOM 0 H ARG A 63 18.853 3.522 -10.128 1.00 63.14 H new ATOM 0 HA ARG A 63 18.917 5.863 -8.688 1.00 25.45 H new ATOM 0 HB2 ARG A 63 20.728 4.636 -10.097 1.00 0.25 H new ATOM 0 HB3 ARG A 63 20.116 5.544 -11.465 1.00 0.25 H new ATOM 0 HG2 ARG A 63 22.077 6.657 -10.550 1.00 3.43 H new ATOM 0 HG3 ARG A 63 20.667 7.669 -10.307 1.00 3.43 H new ATOM 0 HD2 ARG A 63 20.469 6.987 -7.993 1.00 43.03 H new ATOM 0 HD3 ARG A 63 21.666 5.723 -8.200 1.00 43.03 H new ATOM 0 HE ARG A 63 22.506 8.565 -8.592 1.00 45.14 H new ATOM 0 HH11 ARG A 63 22.533 5.579 -6.705 1.00 20.42 H new ATOM 0 HH12 ARG A 63 23.944 6.038 -5.747 1.00 20.42 H new ATOM 0 HH21 ARG A 63 24.358 9.167 -7.347 1.00 52.31 H new ATOM 0 HH22 ARG A 63 24.978 8.070 -6.109 1.00 52.31 H new ATOM 911 N LYS A 64 17.089 6.223 -11.351 1.00 41.34 N ATOM 912 CA LYS A 64 16.210 7.139 -12.078 1.00 35.24 C ATOM 913 C LYS A 64 15.232 7.841 -11.115 1.00 10.23 C ATOM 914 O LYS A 64 14.792 8.943 -11.374 1.00 21.23 O ATOM 915 CB LYS A 64 15.420 6.405 -13.178 1.00 63.15 C ATOM 916 CG LYS A 64 16.271 5.643 -14.202 1.00 33.32 C ATOM 917 CD LYS A 64 17.319 6.532 -14.862 1.00 1.12 C ATOM 918 CE LYS A 64 18.078 5.789 -15.959 1.00 74.04 C ATOM 919 NZ LYS A 64 18.676 4.515 -15.478 1.00 34.12 N ATOM 0 H LYS A 64 16.951 5.239 -11.582 1.00 41.34 H new ATOM 0 HA LYS A 64 16.844 7.890 -12.551 1.00 35.24 H new ATOM 0 HB2 LYS A 64 14.737 5.701 -12.703 1.00 63.15 H new ATOM 0 HB3 LYS A 64 14.808 7.134 -13.710 1.00 63.15 H new ATOM 0 HG2 LYS A 64 16.766 4.807 -13.709 1.00 33.32 H new ATOM 0 HG3 LYS A 64 15.621 5.221 -14.969 1.00 33.32 H new ATOM 0 HD2 LYS A 64 16.835 7.412 -15.286 1.00 1.12 H new ATOM 0 HD3 LYS A 64 18.022 6.887 -14.109 1.00 1.12 H new ATOM 0 HE2 LYS A 64 17.400 5.578 -16.786 1.00 74.04 H new ATOM 0 HE3 LYS A 64 18.867 6.432 -16.349 1.00 74.04 H new ATOM 0 HZ1 LYS A 64 19.512 4.286 -16.052 1.00 34.12 H new ATOM 0 HZ2 LYS A 64 18.957 4.618 -14.482 1.00 34.12 H new ATOM 0 HZ3 LYS A 64 17.977 3.750 -15.563 1.00 34.12 H new ATOM 933 N ASN A 65 14.930 7.191 -9.993 1.00 44.54 N ATOM 934 CA ASN A 65 14.031 7.762 -8.973 1.00 20.31 C ATOM 935 C ASN A 65 14.883 8.455 -7.884 1.00 11.35 C ATOM 936 O ASN A 65 14.405 8.844 -6.812 1.00 2.50 O ATOM 937 CB ASN A 65 13.138 6.651 -8.371 1.00 65.10 C ATOM 938 CG ASN A 65 12.063 7.155 -7.398 1.00 75.44 C ATOM 939 OD1 ASN A 65 11.563 8.262 -7.517 1.00 43.11 O ATOM 940 ND2 ASN A 65 11.699 6.332 -6.437 1.00 54.13 N ATOM 0 H ASN A 65 15.292 6.266 -9.760 1.00 44.54 H new ATOM 0 HA ASN A 65 13.373 8.503 -9.426 1.00 20.31 H new ATOM 0 HB2 ASN A 65 12.650 6.114 -9.185 1.00 65.10 H new ATOM 0 HB3 ASN A 65 13.773 5.934 -7.851 1.00 65.10 H new ATOM 0 HD21 ASN A 65 10.982 6.614 -5.768 1.00 54.13 H new ATOM 0 HD22 ASN A 65 12.134 5.412 -6.361 1.00 54.13 H new ATOM 947 N GLY A 66 16.166 8.579 -8.179 1.00 41.42 N ATOM 948 CA GLY A 66 17.084 9.301 -7.330 1.00 1.45 C ATOM 949 C GLY A 66 17.546 8.556 -6.094 1.00 31.53 C ATOM 950 O GLY A 66 18.007 9.188 -5.162 1.00 55.23 O ATOM 0 H GLY A 66 16.595 8.181 -9.014 1.00 41.42 H new ATOM 0 HA2 GLY A 66 17.960 9.573 -7.919 1.00 1.45 H new ATOM 0 HA3 GLY A 66 16.609 10.231 -7.017 1.00 1.45 H new ATOM 954 N TYR A 67 17.437 7.217 -6.073 1.00 61.21 N ATOM 955 CA TYR A 67 17.891 6.440 -4.896 1.00 31.11 C ATOM 956 C TYR A 67 19.369 6.703 -4.617 1.00 3.32 C ATOM 957 O TYR A 67 20.254 6.287 -5.397 1.00 32.21 O ATOM 958 CB TYR A 67 17.649 4.921 -5.047 1.00 2.55 C ATOM 959 CG TYR A 67 16.190 4.494 -5.138 1.00 35.31 C ATOM 960 CD1 TYR A 67 15.558 4.439 -6.345 1.00 41.12 C ATOM 961 CD2 TYR A 67 15.456 4.133 -4.014 1.00 43.24 C ATOM 962 CE1 TYR A 67 14.259 4.048 -6.468 1.00 32.41 C ATOM 963 CE2 TYR A 67 14.128 3.735 -4.139 1.00 63.22 C ATOM 964 CZ TYR A 67 13.549 3.701 -5.382 1.00 51.33 C ATOM 965 OH TYR A 67 12.245 3.309 -5.541 1.00 32.32 O ATOM 0 H TYR A 67 17.050 6.658 -6.833 1.00 61.21 H new ATOM 0 HA TYR A 67 17.290 6.780 -4.052 1.00 31.11 H new ATOM 0 HB2 TYR A 67 18.167 4.576 -5.942 1.00 2.55 H new ATOM 0 HB3 TYR A 67 18.106 4.412 -4.198 1.00 2.55 H new ATOM 0 HD1 TYR A 67 16.106 4.715 -7.234 1.00 41.12 H new ATOM 0 HD2 TYR A 67 15.919 4.161 -3.039 1.00 43.24 H new ATOM 0 HE1 TYR A 67 13.798 4.017 -7.444 1.00 32.41 H new ATOM 0 HE2 TYR A 67 13.559 3.455 -3.265 1.00 63.22 H new ATOM 0 HH TYR A 67 12.212 2.498 -6.090 1.00 32.32 H new ATOM 975 N ARG A 68 19.631 7.426 -3.541 1.00 33.14 N ATOM 976 CA ARG A 68 20.978 7.779 -3.164 1.00 15.14 C ATOM 977 C ARG A 68 21.653 6.601 -2.507 1.00 24.02 C ATOM 978 O ARG A 68 21.565 6.416 -1.293 1.00 51.34 O ATOM 979 CB ARG A 68 21.011 8.985 -2.219 1.00 32.23 C ATOM 980 CG ARG A 68 20.402 10.267 -2.769 1.00 40.30 C ATOM 981 CD ARG A 68 20.507 11.382 -1.741 1.00 52.02 C ATOM 982 NE ARG A 68 19.988 12.656 -2.227 1.00 54.03 N ATOM 983 CZ ARG A 68 20.105 13.828 -1.582 1.00 15.24 C ATOM 984 NH1 ARG A 68 20.619 13.878 -0.362 1.00 22.33 N ATOM 985 NH2 ARG A 68 19.615 14.929 -2.113 1.00 24.54 N ATOM 0 H ARG A 68 18.913 7.781 -2.909 1.00 33.14 H new ATOM 0 HA ARG A 68 21.512 8.054 -4.074 1.00 15.14 H new ATOM 0 HB2 ARG A 68 20.487 8.719 -1.301 1.00 32.23 H new ATOM 0 HB3 ARG A 68 22.048 9.183 -1.948 1.00 32.23 H new ATOM 0 HG2 ARG A 68 20.915 10.558 -3.685 1.00 40.30 H new ATOM 0 HG3 ARG A 68 19.357 10.099 -3.029 1.00 40.30 H new ATOM 0 HD2 ARG A 68 19.962 11.093 -0.843 1.00 52.02 H new ATOM 0 HD3 ARG A 68 21.551 11.507 -1.454 1.00 52.02 H new ATOM 0 HE ARG A 68 19.500 12.656 -3.123 1.00 54.03 H new ATOM 0 HH11 ARG A 68 20.930 13.021 0.096 1.00 22.33 H new ATOM 0 HH12 ARG A 68 20.704 14.773 0.119 1.00 22.33 H new ATOM 0 HH21 ARG A 68 19.145 14.893 -3.017 1.00 24.54 H new ATOM 0 HH22 ARG A 68 19.706 15.817 -1.620 1.00 24.54 H new ATOM 999 N LEU A 69 22.246 5.771 -3.319 1.00 71.24 N ATOM 1000 CA LEU A 69 22.944 4.603 -2.848 1.00 11.34 C ATOM 1001 C LEU A 69 24.342 4.623 -3.366 1.00 13.12 C ATOM 1002 O LEU A 69 24.591 5.062 -4.504 1.00 14.41 O ATOM 1003 CB LEU A 69 22.263 3.309 -3.343 1.00 72.52 C ATOM 1004 CG LEU A 69 20.747 3.178 -3.116 1.00 31.35 C ATOM 1005 CD1 LEU A 69 20.227 1.845 -3.646 1.00 0.53 C ATOM 1006 CD2 LEU A 69 20.396 3.345 -1.651 1.00 71.30 C ATOM 0 H LEU A 69 22.260 5.885 -4.333 1.00 71.24 H new ATOM 0 HA LEU A 69 22.931 4.618 -1.758 1.00 11.34 H new ATOM 0 HB2 LEU A 69 22.453 3.216 -4.412 1.00 72.52 H new ATOM 0 HB3 LEU A 69 22.751 2.464 -2.857 1.00 72.52 H new ATOM 0 HG LEU A 69 20.260 3.978 -3.673 1.00 31.35 H new ATOM 0 HD11 LEU A 69 19.153 1.779 -3.473 1.00 0.53 H new ATOM 0 HD12 LEU A 69 20.427 1.776 -4.715 1.00 0.53 H new ATOM 0 HD13 LEU A 69 20.729 1.027 -3.129 1.00 0.53 H new ATOM 0 HD21 LEU A 69 19.318 3.247 -1.522 1.00 71.30 H new ATOM 0 HD22 LEU A 69 20.903 2.578 -1.066 1.00 71.30 H new ATOM 0 HD23 LEU A 69 20.714 4.330 -1.311 1.00 71.30 H new ATOM 1018 N THR A 70 25.240 4.211 -2.557 1.00 25.22 N ATOM 1019 CA THR A 70 26.571 3.997 -2.972 1.00 72.41 C ATOM 1020 C THR A 70 26.669 2.480 -3.151 1.00 22.23 C ATOM 1021 O THR A 70 25.821 1.760 -2.640 1.00 45.20 O ATOM 1022 CB THR A 70 27.569 4.549 -1.921 1.00 75.11 C ATOM 1023 OG1 THR A 70 27.210 5.905 -1.611 1.00 53.13 O ATOM 1024 CG2 THR A 70 29.003 4.533 -2.443 1.00 61.21 C ATOM 0 H THR A 70 25.069 4.010 -1.572 1.00 25.22 H new ATOM 0 HA THR A 70 26.826 4.519 -3.895 1.00 72.41 H new ATOM 0 HB THR A 70 27.518 3.914 -1.037 1.00 75.11 H new ATOM 0 HG1 THR A 70 27.833 6.264 -0.946 1.00 53.13 H new ATOM 0 HG21 THR A 70 29.673 4.927 -1.679 1.00 61.21 H new ATOM 0 HG22 THR A 70 29.291 3.510 -2.685 1.00 61.21 H new ATOM 0 HG23 THR A 70 29.071 5.151 -3.338 1.00 61.21 H new ATOM 1032 N LEU A 71 27.646 2.000 -3.857 1.00 23.52 N ATOM 1033 CA LEU A 71 27.668 0.593 -4.240 1.00 61.00 C ATOM 1034 C LEU A 71 27.945 -0.328 -3.072 1.00 4.54 C ATOM 1035 O LEU A 71 27.453 -1.450 -3.013 1.00 23.51 O ATOM 1036 CB LEU A 71 28.687 0.292 -5.346 1.00 41.15 C ATOM 1037 CG LEU A 71 28.590 1.098 -6.652 1.00 62.30 C ATOM 1038 CD1 LEU A 71 27.180 1.176 -7.126 1.00 55.43 C ATOM 1039 CD2 LEU A 71 29.162 2.467 -6.521 1.00 25.05 C ATOM 0 H LEU A 71 28.442 2.546 -4.186 1.00 23.52 H new ATOM 0 HA LEU A 71 26.664 0.400 -4.618 1.00 61.00 H new ATOM 0 HB2 LEU A 71 29.684 0.444 -4.933 1.00 41.15 H new ATOM 0 HB3 LEU A 71 28.604 -0.765 -5.598 1.00 41.15 H new ATOM 0 HG LEU A 71 29.187 0.564 -7.391 1.00 62.30 H new ATOM 0 HD11 LEU A 71 27.138 1.751 -8.051 1.00 55.43 H new ATOM 0 HD12 LEU A 71 26.801 0.170 -7.307 1.00 55.43 H new ATOM 0 HD13 LEU A 71 26.568 1.664 -6.368 1.00 55.43 H new ATOM 0 HD21 LEU A 71 29.068 2.993 -7.471 1.00 25.05 H new ATOM 0 HD22 LEU A 71 28.622 3.014 -5.748 1.00 25.05 H new ATOM 0 HD23 LEU A 71 30.215 2.397 -6.248 1.00 25.05 H new ATOM 1051 N ARG A 72 28.668 0.185 -2.118 1.00 4.33 N ATOM 1052 CA ARG A 72 29.186 -0.600 -1.034 1.00 43.43 C ATOM 1053 C ARG A 72 28.077 -0.995 -0.052 1.00 34.13 C ATOM 1054 O ARG A 72 28.198 -1.987 0.652 1.00 43.14 O ATOM 1055 CB ARG A 72 30.373 0.144 -0.370 1.00 71.24 C ATOM 1056 CG ARG A 72 30.022 1.358 0.473 1.00 54.50 C ATOM 1057 CD ARG A 72 29.733 0.972 1.920 1.00 35.01 C ATOM 1058 NE ARG A 72 28.970 2.000 2.597 1.00 24.14 N ATOM 1059 CZ ARG A 72 29.045 2.362 3.866 1.00 21.45 C ATOM 1060 NH1 ARG A 72 30.015 1.896 4.667 1.00 31.02 N ATOM 1061 NH2 ARG A 72 28.135 3.209 4.325 1.00 51.35 N ATOM 0 H ARG A 72 28.918 1.173 -2.070 1.00 4.33 H new ATOM 0 HA ARG A 72 29.576 -1.542 -1.418 1.00 43.43 H new ATOM 0 HB2 ARG A 72 30.912 -0.565 0.259 1.00 71.24 H new ATOM 0 HB3 ARG A 72 31.060 0.460 -1.155 1.00 71.24 H new ATOM 0 HG2 ARG A 72 30.845 2.072 0.444 1.00 54.50 H new ATOM 0 HG3 ARG A 72 29.151 1.857 0.048 1.00 54.50 H new ATOM 0 HD2 ARG A 72 29.182 0.032 1.945 1.00 35.01 H new ATOM 0 HD3 ARG A 72 30.672 0.805 2.449 1.00 35.01 H new ATOM 0 HE ARG A 72 28.293 2.506 2.026 1.00 24.14 H new ATOM 0 HH11 ARG A 72 30.713 1.249 4.300 1.00 31.02 H new ATOM 0 HH12 ARG A 72 30.054 2.188 5.643 1.00 31.02 H new ATOM 0 HH21 ARG A 72 27.406 3.561 3.704 1.00 51.35 H new ATOM 0 HH22 ARG A 72 28.163 3.509 5.299 1.00 51.35 H new ATOM 1075 N GLU A 73 27.011 -0.205 -0.031 1.00 41.34 N ATOM 1076 CA GLU A 73 25.813 -0.457 0.758 1.00 71.11 C ATOM 1077 C GLU A 73 25.268 -1.828 0.404 1.00 10.41 C ATOM 1078 O GLU A 73 25.072 -2.700 1.258 1.00 34.23 O ATOM 1079 CB GLU A 73 24.747 0.585 0.360 1.00 14.12 C ATOM 1080 CG GLU A 73 24.906 2.026 0.877 1.00 31.45 C ATOM 1081 CD GLU A 73 26.315 2.572 0.947 1.00 62.34 C ATOM 1082 OE1 GLU A 73 27.075 2.440 -0.022 1.00 22.20 O ATOM 1083 OE2 GLU A 73 26.682 3.155 1.988 1.00 4.33 O ATOM 0 H GLU A 73 26.955 0.654 -0.579 1.00 41.34 H new ATOM 0 HA GLU A 73 26.047 -0.400 1.821 1.00 71.11 H new ATOM 0 HB2 GLU A 73 24.711 0.625 -0.729 1.00 14.12 H new ATOM 0 HB3 GLU A 73 23.779 0.216 0.698 1.00 14.12 H new ATOM 0 HG2 GLU A 73 24.318 2.684 0.237 1.00 31.45 H new ATOM 0 HG3 GLU A 73 24.471 2.079 1.875 1.00 31.45 H new ATOM 1090 N LEU A 74 25.116 -2.018 -0.884 1.00 64.53 N ATOM 1091 CA LEU A 74 24.515 -3.214 -1.449 1.00 4.21 C ATOM 1092 C LEU A 74 25.486 -4.394 -1.458 1.00 73.14 C ATOM 1093 O LEU A 74 25.112 -5.506 -1.793 1.00 22.32 O ATOM 1094 CB LEU A 74 23.950 -2.935 -2.858 1.00 62.01 C ATOM 1095 CG LEU A 74 23.081 -1.672 -2.972 1.00 43.02 C ATOM 1096 CD1 LEU A 74 23.907 -0.474 -3.391 1.00 30.32 C ATOM 1097 CD2 LEU A 74 21.883 -1.862 -3.876 1.00 13.02 C ATOM 0 H LEU A 74 25.409 -1.338 -1.585 1.00 64.53 H new ATOM 0 HA LEU A 74 23.683 -3.496 -0.804 1.00 4.21 H new ATOM 0 HB2 LEU A 74 24.783 -2.849 -3.556 1.00 62.01 H new ATOM 0 HB3 LEU A 74 23.358 -3.795 -3.172 1.00 62.01 H new ATOM 0 HG LEU A 74 22.684 -1.478 -1.976 1.00 43.02 H new ATOM 0 HD11 LEU A 74 23.265 0.404 -3.463 1.00 30.32 H new ATOM 0 HD12 LEU A 74 24.687 -0.293 -2.651 1.00 30.32 H new ATOM 0 HD13 LEU A 74 24.365 -0.669 -4.361 1.00 30.32 H new ATOM 0 HD21 LEU A 74 21.308 -0.937 -3.917 1.00 13.02 H new ATOM 0 HD22 LEU A 74 22.222 -2.124 -4.879 1.00 13.02 H new ATOM 0 HD23 LEU A 74 21.255 -2.663 -3.485 1.00 13.02 H new ATOM 1109 N TYR A 75 26.731 -4.129 -1.114 1.00 75.14 N ATOM 1110 CA TYR A 75 27.730 -5.178 -0.967 1.00 52.31 C ATOM 1111 C TYR A 75 27.826 -5.625 0.460 1.00 63.11 C ATOM 1112 O TYR A 75 28.080 -6.793 0.733 1.00 12.23 O ATOM 1113 CB TYR A 75 29.105 -4.731 -1.451 1.00 43.32 C ATOM 1114 CG TYR A 75 29.250 -4.788 -2.929 1.00 13.14 C ATOM 1115 CD1 TYR A 75 29.134 -5.996 -3.569 1.00 71.33 C ATOM 1116 CD2 TYR A 75 29.511 -3.661 -3.685 1.00 11.02 C ATOM 1117 CE1 TYR A 75 29.269 -6.092 -4.921 1.00 42.25 C ATOM 1118 CE2 TYR A 75 29.646 -3.742 -5.050 1.00 21.10 C ATOM 1119 CZ TYR A 75 29.524 -4.963 -5.664 1.00 42.10 C ATOM 1120 OH TYR A 75 29.658 -5.060 -7.018 1.00 63.20 O ATOM 0 H TYR A 75 27.080 -3.189 -0.929 1.00 75.14 H new ATOM 0 HA TYR A 75 27.404 -6.012 -1.589 1.00 52.31 H new ATOM 0 HB2 TYR A 75 29.289 -3.711 -1.113 1.00 43.32 H new ATOM 0 HB3 TYR A 75 29.867 -5.361 -0.993 1.00 43.32 H new ATOM 0 HD1 TYR A 75 28.932 -6.886 -2.991 1.00 71.33 H new ATOM 0 HD2 TYR A 75 29.610 -2.703 -3.196 1.00 11.02 H new ATOM 0 HE1 TYR A 75 29.176 -7.051 -5.408 1.00 42.25 H new ATOM 0 HE2 TYR A 75 29.846 -2.855 -5.633 1.00 21.10 H new ATOM 0 HH TYR A 75 29.834 -4.172 -7.394 1.00 63.20 H new ATOM 1130 N ALA A 76 27.635 -4.694 1.369 1.00 31.35 N ATOM 1131 CA ALA A 76 27.713 -5.008 2.768 1.00 13.33 C ATOM 1132 C ALA A 76 26.469 -5.767 3.200 1.00 24.52 C ATOM 1133 O ALA A 76 26.540 -6.709 3.986 1.00 42.22 O ATOM 1134 CB ALA A 76 27.909 -3.751 3.601 1.00 0.43 C ATOM 0 H ALA A 76 27.425 -3.718 1.160 1.00 31.35 H new ATOM 0 HA ALA A 76 28.581 -5.645 2.934 1.00 13.33 H new ATOM 0 HB1 ALA A 76 27.965 -4.019 4.656 1.00 0.43 H new ATOM 0 HB2 ALA A 76 28.834 -3.257 3.303 1.00 0.43 H new ATOM 0 HB3 ALA A 76 27.069 -3.075 3.442 1.00 0.43 H new ATOM 1140 N ALA A 77 25.338 -5.358 2.674 1.00 13.20 N ATOM 1141 CA ALA A 77 24.100 -6.030 2.949 1.00 73.13 C ATOM 1142 C ALA A 77 23.370 -6.314 1.645 1.00 21.51 C ATOM 1143 O ALA A 77 22.565 -5.504 1.182 1.00 1.21 O ATOM 1144 CB ALA A 77 23.230 -5.216 3.901 1.00 45.45 C ATOM 0 H ALA A 77 25.255 -4.556 2.049 1.00 13.20 H new ATOM 0 HA ALA A 77 24.318 -6.977 3.442 1.00 73.13 H new ATOM 0 HB1 ALA A 77 22.299 -5.751 4.090 1.00 45.45 H new ATOM 0 HB2 ALA A 77 23.761 -5.067 4.841 1.00 45.45 H new ATOM 0 HB3 ALA A 77 23.007 -4.248 3.453 1.00 45.45 H new ATOM 1150 N PRO A 78 23.710 -7.413 0.965 1.00 31.40 N ATOM 1151 CA PRO A 78 23.056 -7.782 -0.252 1.00 53.12 C ATOM 1152 C PRO A 78 21.913 -8.750 -0.007 1.00 72.02 C ATOM 1153 O PRO A 78 22.096 -9.976 -0.042 1.00 52.12 O ATOM 1154 CB PRO A 78 24.176 -8.472 -1.058 1.00 11.44 C ATOM 1155 CG PRO A 78 25.314 -8.672 -0.084 1.00 22.22 C ATOM 1156 CD PRO A 78 24.782 -8.344 1.282 1.00 44.45 C ATOM 0 HA PRO A 78 22.611 -6.926 -0.759 1.00 53.12 H new ATOM 0 HB2 PRO A 78 23.836 -9.425 -1.465 1.00 11.44 H new ATOM 0 HB3 PRO A 78 24.487 -7.857 -1.903 1.00 11.44 H new ATOM 0 HG2 PRO A 78 25.677 -9.699 -0.120 1.00 22.22 H new ATOM 0 HG3 PRO A 78 26.156 -8.027 -0.336 1.00 22.22 H new ATOM 0 HD2 PRO A 78 24.415 -9.229 1.802 1.00 44.45 H new ATOM 0 HD3 PRO A 78 25.542 -7.892 1.920 1.00 44.45 H new ATOM 1164 N THR A 79 20.759 -8.200 0.274 1.00 13.34 N ATOM 1165 CA THR A 79 19.539 -8.941 0.439 1.00 43.21 C ATOM 1166 C THR A 79 18.445 -8.022 -0.052 1.00 62.21 C ATOM 1167 O THR A 79 18.575 -6.802 0.080 1.00 60.32 O ATOM 1168 CB THR A 79 19.230 -9.339 1.943 1.00 75.03 C ATOM 1169 OG1 THR A 79 18.964 -8.196 2.748 1.00 51.43 O ATOM 1170 CG2 THR A 79 20.358 -10.125 2.592 1.00 73.41 C ATOM 0 H THR A 79 20.641 -7.194 0.397 1.00 13.34 H new ATOM 0 HA THR A 79 19.614 -9.881 -0.108 1.00 43.21 H new ATOM 0 HB THR A 79 18.345 -9.973 1.891 1.00 75.03 H new ATOM 0 HG1 THR A 79 18.619 -8.483 3.619 1.00 51.43 H new ATOM 0 HG21 THR A 79 20.088 -10.368 3.620 1.00 73.41 H new ATOM 0 HG22 THR A 79 20.528 -11.046 2.034 1.00 73.41 H new ATOM 0 HG23 THR A 79 21.268 -9.525 2.588 1.00 73.41 H new ATOM 1178 N LEU A 80 17.397 -8.557 -0.625 1.00 45.20 N ATOM 1179 CA LEU A 80 16.308 -7.716 -1.102 1.00 43.54 C ATOM 1180 C LEU A 80 15.622 -7.059 0.026 1.00 3.42 C ATOM 1181 O LEU A 80 15.170 -5.944 -0.090 1.00 23.21 O ATOM 1182 CB LEU A 80 15.305 -8.490 -1.897 1.00 73.42 C ATOM 1183 CG LEU A 80 15.768 -8.986 -3.214 1.00 4.41 C ATOM 1184 CD1 LEU A 80 14.599 -9.596 -3.937 1.00 60.35 C ATOM 1185 CD2 LEU A 80 16.374 -7.865 -4.053 1.00 74.30 C ATOM 0 H LEU A 80 17.267 -9.557 -0.775 1.00 45.20 H new ATOM 0 HA LEU A 80 16.757 -6.964 -1.751 1.00 43.54 H new ATOM 0 HB2 LEU A 80 14.979 -9.344 -1.303 1.00 73.42 H new ATOM 0 HB3 LEU A 80 14.430 -7.859 -2.055 1.00 73.42 H new ATOM 0 HG LEU A 80 16.546 -9.732 -3.055 1.00 4.41 H new ATOM 0 HD11 LEU A 80 14.925 -9.966 -4.909 1.00 60.35 H new ATOM 0 HD12 LEU A 80 14.199 -10.423 -3.350 1.00 60.35 H new ATOM 0 HD13 LEU A 80 13.824 -8.842 -4.077 1.00 60.35 H new ATOM 0 HD21 LEU A 80 16.703 -8.265 -5.012 1.00 74.30 H new ATOM 0 HD22 LEU A 80 15.626 -7.090 -4.220 1.00 74.30 H new ATOM 0 HD23 LEU A 80 17.227 -7.437 -3.527 1.00 74.30 H new ATOM 1197 N ALA A 81 15.566 -7.748 1.111 1.00 63.41 N ATOM 1198 CA ALA A 81 14.952 -7.219 2.313 1.00 54.45 C ATOM 1199 C ALA A 81 15.699 -5.970 2.827 1.00 43.02 C ATOM 1200 O ALA A 81 15.069 -4.968 3.205 1.00 54.32 O ATOM 1201 CB ALA A 81 14.832 -8.281 3.373 1.00 22.33 C ATOM 0 H ALA A 81 15.938 -8.693 1.207 1.00 63.41 H new ATOM 0 HA ALA A 81 13.941 -6.900 2.059 1.00 54.45 H new ATOM 0 HB1 ALA A 81 14.368 -7.856 4.263 1.00 22.33 H new ATOM 0 HB2 ALA A 81 14.217 -9.100 3.000 1.00 22.33 H new ATOM 0 HB3 ALA A 81 15.823 -8.657 3.625 1.00 22.33 H new ATOM 1207 N ALA A 82 17.030 -6.004 2.810 1.00 55.12 N ATOM 1208 CA ALA A 82 17.819 -4.838 3.198 1.00 64.33 C ATOM 1209 C ALA A 82 17.681 -3.743 2.159 1.00 33.32 C ATOM 1210 O ALA A 82 17.569 -2.562 2.496 1.00 31.52 O ATOM 1211 CB ALA A 82 19.286 -5.188 3.394 1.00 42.01 C ATOM 0 H ALA A 82 17.580 -6.818 2.535 1.00 55.12 H new ATOM 0 HA ALA A 82 17.432 -4.482 4.153 1.00 64.33 H new ATOM 0 HB1 ALA A 82 19.838 -4.293 3.682 1.00 42.01 H new ATOM 0 HB2 ALA A 82 19.379 -5.940 4.178 1.00 42.01 H new ATOM 0 HB3 ALA A 82 19.694 -5.582 2.463 1.00 42.01 H new ATOM 1217 N TRP A 83 17.655 -4.139 0.892 1.00 12.34 N ATOM 1218 CA TRP A 83 17.518 -3.180 -0.193 1.00 24.22 C ATOM 1219 C TRP A 83 16.149 -2.536 -0.164 1.00 60.13 C ATOM 1220 O TRP A 83 16.018 -1.370 -0.450 1.00 74.02 O ATOM 1221 CB TRP A 83 17.786 -3.806 -1.568 1.00 61.41 C ATOM 1222 CG TRP A 83 19.180 -4.345 -1.761 1.00 12.13 C ATOM 1223 CD1 TRP A 83 20.201 -4.368 -0.851 1.00 12.35 C ATOM 1224 CD2 TRP A 83 19.696 -4.940 -2.949 1.00 21.10 C ATOM 1225 NE1 TRP A 83 21.300 -4.973 -1.390 1.00 54.42 N ATOM 1226 CE2 TRP A 83 21.022 -5.329 -2.683 1.00 0.14 C ATOM 1227 CE3 TRP A 83 19.157 -5.190 -4.210 1.00 75.33 C ATOM 1228 CZ2 TRP A 83 21.815 -5.957 -3.637 1.00 23.01 C ATOM 1229 CZ3 TRP A 83 19.945 -5.809 -5.158 1.00 21.24 C ATOM 1230 CH2 TRP A 83 21.258 -6.188 -4.866 1.00 32.50 C ATOM 0 H TRP A 83 17.727 -5.112 0.594 1.00 12.34 H new ATOM 0 HA TRP A 83 18.277 -2.414 -0.037 1.00 24.22 H new ATOM 0 HB2 TRP A 83 17.074 -4.616 -1.727 1.00 61.41 H new ATOM 0 HB3 TRP A 83 17.593 -3.057 -2.336 1.00 61.41 H new ATOM 0 HD1 TRP A 83 20.146 -3.966 0.150 1.00 12.35 H new ATOM 0 HE1 TRP A 83 22.184 -5.134 -0.908 1.00 54.42 H new ATOM 0 HE3 TRP A 83 18.141 -4.904 -4.440 1.00 75.33 H new ATOM 0 HZ2 TRP A 83 22.831 -6.251 -3.417 1.00 23.01 H new ATOM 0 HZ3 TRP A 83 19.541 -6.004 -6.141 1.00 21.24 H new ATOM 0 HH2 TRP A 83 21.848 -6.675 -5.629 1.00 32.50 H new ATOM 1241 N ASN A 84 15.141 -3.305 0.219 1.00 54.34 N ATOM 1242 CA ASN A 84 13.768 -2.815 0.355 1.00 30.23 C ATOM 1243 C ASN A 84 13.726 -1.674 1.344 1.00 44.04 C ATOM 1244 O ASN A 84 13.119 -0.642 1.087 1.00 50.21 O ATOM 1245 CB ASN A 84 12.827 -3.942 0.806 1.00 62.11 C ATOM 1246 CG ASN A 84 11.390 -3.482 0.995 1.00 73.41 C ATOM 1247 OD1 ASN A 84 10.992 -3.077 2.075 1.00 61.31 O ATOM 1248 ND2 ASN A 84 10.608 -3.540 -0.052 1.00 21.51 N ATOM 0 H ASN A 84 15.248 -4.293 0.447 1.00 54.34 H new ATOM 0 HA ASN A 84 13.430 -2.459 -0.618 1.00 30.23 H new ATOM 0 HB2 ASN A 84 12.851 -4.744 0.068 1.00 62.11 H new ATOM 0 HB3 ASN A 84 13.194 -4.360 1.743 1.00 62.11 H new ATOM 0 HD21 ASN A 84 9.635 -3.242 0.021 1.00 21.51 H new ATOM 0 HD22 ASN A 84 10.971 -3.884 -0.941 1.00 21.51 H new ATOM 1255 N GLN A 85 14.455 -1.834 2.433 1.00 15.50 N ATOM 1256 CA GLN A 85 14.561 -0.820 3.474 1.00 22.44 C ATOM 1257 C GLN A 85 15.179 0.485 2.936 1.00 41.24 C ATOM 1258 O GLN A 85 14.932 1.565 3.459 1.00 51.24 O ATOM 1259 CB GLN A 85 15.338 -1.378 4.662 1.00 4.11 C ATOM 1260 CG GLN A 85 14.569 -2.461 5.408 1.00 14.13 C ATOM 1261 CD GLN A 85 15.417 -3.218 6.405 1.00 54.11 C ATOM 1262 OE1 GLN A 85 15.552 -2.822 7.554 1.00 23.33 O ATOM 1263 NE2 GLN A 85 15.944 -4.339 5.985 1.00 40.42 N ATOM 0 H GLN A 85 14.996 -2.677 2.625 1.00 15.50 H new ATOM 0 HA GLN A 85 13.558 -0.563 3.815 1.00 22.44 H new ATOM 0 HB2 GLN A 85 16.286 -1.786 4.312 1.00 4.11 H new ATOM 0 HB3 GLN A 85 15.575 -0.566 5.350 1.00 4.11 H new ATOM 0 HG2 GLN A 85 13.727 -2.005 5.929 1.00 14.13 H new ATOM 0 HG3 GLN A 85 14.154 -3.165 4.686 1.00 14.13 H new ATOM 0 HE21 GLN A 85 15.809 -4.635 5.018 1.00 40.42 H new ATOM 0 HE22 GLN A 85 16.490 -4.917 6.624 1.00 40.42 H new ATOM 1272 N LEU A 86 15.931 0.375 1.859 1.00 50.24 N ATOM 1273 CA LEU A 86 16.512 1.526 1.181 1.00 73.13 C ATOM 1274 C LEU A 86 15.485 2.204 0.291 1.00 51.12 C ATOM 1275 O LEU A 86 15.588 3.389 0.002 1.00 23.24 O ATOM 1276 CB LEU A 86 17.642 1.079 0.260 1.00 22.11 C ATOM 1277 CG LEU A 86 18.912 0.565 0.896 1.00 54.45 C ATOM 1278 CD1 LEU A 86 19.768 -0.055 -0.176 1.00 41.34 C ATOM 1279 CD2 LEU A 86 19.667 1.714 1.510 1.00 41.45 C ATOM 0 H LEU A 86 16.160 -0.519 1.424 1.00 50.24 H new ATOM 0 HA LEU A 86 16.869 2.206 1.955 1.00 73.13 H new ATOM 0 HB2 LEU A 86 17.253 0.295 -0.390 1.00 22.11 H new ATOM 0 HB3 LEU A 86 17.906 1.922 -0.379 1.00 22.11 H new ATOM 0 HG LEU A 86 18.669 -0.168 1.665 1.00 54.45 H new ATOM 0 HD11 LEU A 86 20.690 -0.432 0.267 1.00 41.34 H new ATOM 0 HD12 LEU A 86 19.227 -0.878 -0.643 1.00 41.34 H new ATOM 0 HD13 LEU A 86 20.008 0.695 -0.930 1.00 41.34 H new ATOM 0 HD21 LEU A 86 20.583 1.343 1.969 1.00 41.45 H new ATOM 0 HD22 LEU A 86 19.917 2.440 0.736 1.00 41.45 H new ATOM 0 HD23 LEU A 86 19.048 2.191 2.270 1.00 41.45 H new ATOM 1291 N MET A 87 14.468 1.470 -0.101 1.00 44.51 N ATOM 1292 CA MET A 87 13.601 1.916 -1.167 1.00 1.51 C ATOM 1293 C MET A 87 12.555 2.879 -0.681 1.00 1.22 C ATOM 1294 O MET A 87 12.248 3.866 -1.339 1.00 50.13 O ATOM 1295 CB MET A 87 12.983 0.727 -1.898 1.00 24.21 C ATOM 1296 CG MET A 87 14.030 -0.267 -2.366 1.00 32.11 C ATOM 1297 SD MET A 87 13.355 -1.699 -3.195 1.00 23.22 S ATOM 1298 CE MET A 87 12.902 -0.950 -4.736 1.00 4.32 C ATOM 0 H MET A 87 14.222 0.565 0.301 1.00 44.51 H new ATOM 0 HA MET A 87 14.215 2.464 -1.881 1.00 1.51 H new ATOM 0 HB2 MET A 87 12.277 0.224 -1.237 1.00 24.21 H new ATOM 0 HB3 MET A 87 12.416 1.086 -2.757 1.00 24.21 H new ATOM 0 HG2 MET A 87 14.720 0.239 -3.041 1.00 32.11 H new ATOM 0 HG3 MET A 87 14.611 -0.599 -1.506 1.00 32.11 H new ATOM 0 HE1 MET A 87 12.798 -1.722 -5.499 1.00 4.32 H new ATOM 0 HE2 MET A 87 11.954 -0.424 -4.620 1.00 4.32 H new ATOM 0 HE3 MET A 87 13.675 -0.243 -5.038 1.00 4.32 H new ATOM 1308 N LEU A 88 12.004 2.597 0.462 1.00 21.22 N ATOM 1309 CA LEU A 88 11.014 3.468 1.048 1.00 31.41 C ATOM 1310 C LEU A 88 11.652 4.592 1.846 1.00 31.51 C ATOM 1311 O LEU A 88 11.038 5.645 2.059 1.00 24.02 O ATOM 1312 CB LEU A 88 9.916 2.719 1.858 1.00 14.33 C ATOM 1313 CG LEU A 88 10.150 1.249 2.293 1.00 2.43 C ATOM 1314 CD1 LEU A 88 10.155 0.275 1.111 1.00 24.22 C ATOM 1315 CD2 LEU A 88 11.384 1.097 3.186 1.00 71.31 C ATOM 0 H LEU A 88 12.221 1.767 1.014 1.00 21.22 H new ATOM 0 HA LEU A 88 10.488 3.921 0.208 1.00 31.41 H new ATOM 0 HB2 LEU A 88 9.725 3.299 2.761 1.00 14.33 H new ATOM 0 HB3 LEU A 88 9.002 2.741 1.265 1.00 14.33 H new ATOM 0 HG LEU A 88 9.291 0.972 2.904 1.00 2.43 H new ATOM 0 HD11 LEU A 88 10.323 -0.738 1.475 1.00 24.22 H new ATOM 0 HD12 LEU A 88 9.195 0.321 0.597 1.00 24.22 H new ATOM 0 HD13 LEU A 88 10.951 0.548 0.418 1.00 24.22 H new ATOM 0 HD21 LEU A 88 11.505 0.050 3.464 1.00 71.31 H new ATOM 0 HD22 LEU A 88 12.268 1.434 2.645 1.00 71.31 H new ATOM 0 HD23 LEU A 88 11.258 1.699 4.086 1.00 71.31 H new