USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 370 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 Single : A 981 THR OG1 : rot 95:sc= 0.757 USER MOD Single : A 987 MET CE :methyl 158:sc= -0.653 (180deg=-2.51!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 994 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 996 ASN : amide:sc= -0.0608 K(o=-0.061,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 957 9.784 -9.993 17.385 1.00 1.00 N ATOM 2 CA GLY A 957 8.545 -9.422 17.992 1.00 1.00 C ATOM 3 C GLY A 957 8.560 -7.905 17.847 1.00 1.00 C ATOM 4 O GLY A 957 8.274 -7.180 18.801 1.00 1.00 O ATOM 0 HA2 GLY A 957 7.663 -9.836 17.502 1.00 1.00 H new ATOM 0 HA3 GLY A 957 8.483 -9.697 19.045 1.00 1.00 H new ATOM 10 N ALA A 958 8.895 -7.431 16.644 1.00 1.00 N ATOM 11 CA ALA A 958 8.942 -5.990 16.380 1.00 1.00 C ATOM 12 C ALA A 958 8.205 -5.654 15.089 1.00 1.00 C ATOM 13 O ALA A 958 8.133 -6.469 14.169 1.00 1.00 O ATOM 14 CB ALA A 958 10.395 -5.496 16.287 1.00 1.00 C ATOM 0 H ALA A 958 9.136 -8.017 15.845 1.00 1.00 H new ATOM 0 HA ALA A 958 8.451 -5.485 17.212 1.00 1.00 H new ATOM 0 HB1 ALA A 958 10.403 -4.424 16.091 1.00 1.00 H new ATOM 0 HB2 ALA A 958 10.908 -5.696 17.227 1.00 1.00 H new ATOM 0 HB3 ALA A 958 10.905 -6.017 15.477 1.00 1.00 H new ATOM 20 N LEU A 959 7.652 -4.445 15.035 1.00 1.00 N ATOM 21 CA LEU A 959 6.912 -4.005 13.859 1.00 1.00 C ATOM 22 C LEU A 959 7.598 -2.805 13.211 1.00 1.00 C ATOM 23 O LEU A 959 7.954 -1.840 13.891 1.00 1.00 O ATOM 24 CB LEU A 959 5.473 -3.622 14.253 1.00 1.00 C ATOM 25 CG LEU A 959 4.732 -4.825 14.863 1.00 1.00 C ATOM 26 CD1 LEU A 959 3.359 -4.378 15.396 1.00 1.00 C ATOM 27 CD2 LEU A 959 4.536 -5.914 13.799 1.00 1.00 C ATOM 0 H LEU A 959 7.702 -3.758 15.787 1.00 1.00 H new ATOM 0 HA LEU A 959 6.886 -4.827 13.143 1.00 1.00 H new ATOM 0 HB2 LEU A 959 5.494 -2.801 14.970 1.00 1.00 H new ATOM 0 HB3 LEU A 959 4.934 -3.265 13.375 1.00 1.00 H new ATOM 0 HG LEU A 959 5.327 -5.226 15.684 1.00 1.00 H new ATOM 0 HD11 LEU A 959 2.840 -5.234 15.826 1.00 1.00 H new ATOM 0 HD12 LEU A 959 3.497 -3.615 16.162 1.00 1.00 H new ATOM 0 HD13 LEU A 959 2.767 -3.968 14.578 1.00 1.00 H new ATOM 0 HD21 LEU A 959 4.011 -6.762 14.239 1.00 1.00 H new ATOM 0 HD22 LEU A 959 3.950 -5.513 12.972 1.00 1.00 H new ATOM 0 HD23 LEU A 959 5.508 -6.241 13.430 1.00 1.00 H new ATOM 39 N GLU A 960 7.759 -2.870 11.893 1.00 1.00 N ATOM 40 CA GLU A 960 8.386 -1.783 11.150 1.00 1.00 C ATOM 41 C GLU A 960 9.533 -1.179 11.947 1.00 1.00 C ATOM 42 O GLU A 960 9.364 -0.163 12.621 1.00 1.00 O ATOM 43 CB GLU A 960 7.333 -0.714 10.849 1.00 1.00 C ATOM 44 CG GLU A 960 6.301 -1.300 9.874 1.00 1.00 C ATOM 45 CD GLU A 960 5.180 -0.300 9.597 1.00 1.00 C ATOM 46 OE1 GLU A 960 5.280 0.823 10.065 1.00 1.00 O ATOM 47 OE2 GLU A 960 4.241 -0.672 8.911 1.00 1.00 O ATOM 0 H GLU A 960 7.465 -3.661 11.320 1.00 1.00 H new ATOM 0 HA GLU A 960 8.792 -2.173 10.217 1.00 1.00 H new ATOM 0 HB2 GLU A 960 6.844 -0.395 11.770 1.00 1.00 H new ATOM 0 HB3 GLU A 960 7.804 0.169 10.416 1.00 1.00 H new ATOM 0 HG2 GLU A 960 6.791 -1.570 8.939 1.00 1.00 H new ATOM 0 HG3 GLU A 960 5.881 -2.216 10.290 1.00 1.00 H new ATOM 54 N GLU A 961 10.696 -1.816 11.867 1.00 1.00 N ATOM 55 CA GLU A 961 11.875 -1.342 12.584 1.00 1.00 C ATOM 56 C GLU A 961 12.310 0.030 12.074 1.00 1.00 C ATOM 57 O GLU A 961 12.303 0.289 10.872 1.00 1.00 O ATOM 58 CB GLU A 961 13.022 -2.341 12.404 1.00 1.00 C ATOM 59 CG GLU A 961 12.736 -3.621 13.198 1.00 1.00 C ATOM 60 CD GLU A 961 13.842 -4.640 12.947 1.00 1.00 C ATOM 61 OE1 GLU A 961 14.773 -4.312 12.227 1.00 1.00 O ATOM 62 OE2 GLU A 961 13.740 -5.736 13.472 1.00 1.00 O ATOM 0 H GLU A 961 10.848 -2.660 11.314 1.00 1.00 H new ATOM 0 HA GLU A 961 11.622 -1.254 13.641 1.00 1.00 H new ATOM 0 HB2 GLU A 961 13.145 -2.579 11.347 1.00 1.00 H new ATOM 0 HB3 GLU A 961 13.958 -1.896 12.741 1.00 1.00 H new ATOM 0 HG2 GLU A 961 12.673 -3.394 14.262 1.00 1.00 H new ATOM 0 HG3 GLU A 961 11.772 -4.036 12.903 1.00 1.00 H new ATOM 69 N ARG A 962 12.704 0.900 13.001 1.00 1.00 N ATOM 70 CA ARG A 962 13.160 2.238 12.636 1.00 1.00 C ATOM 71 C ARG A 962 14.421 2.126 11.779 1.00 1.00 C ATOM 72 O ARG A 962 14.610 2.876 10.824 1.00 1.00 O ATOM 73 CB ARG A 962 13.472 3.052 13.902 1.00 1.00 C ATOM 74 CG ARG A 962 12.176 3.346 14.666 1.00 1.00 C ATOM 75 CD ARG A 962 12.501 4.143 15.931 1.00 1.00 C ATOM 76 NE ARG A 962 11.278 4.455 16.662 1.00 1.00 N ATOM 77 CZ ARG A 962 10.607 5.569 16.414 1.00 1.00 C ATOM 78 NH1 ARG A 962 11.008 6.375 15.474 1.00 1.00 N ATOM 79 NH2 ARG A 962 9.543 5.857 17.101 1.00 1.00 N ATOM 0 H ARG A 962 12.717 0.705 14.002 1.00 1.00 H new ATOM 0 HA ARG A 962 12.375 2.743 12.073 1.00 1.00 H new ATOM 0 HB2 ARG A 962 14.163 2.499 14.539 1.00 1.00 H new ATOM 0 HB3 ARG A 962 13.965 3.986 13.632 1.00 1.00 H new ATOM 0 HG2 ARG A 962 11.489 3.909 14.035 1.00 1.00 H new ATOM 0 HG3 ARG A 962 11.676 2.414 14.929 1.00 1.00 H new ATOM 0 HD2 ARG A 962 13.176 3.570 16.566 1.00 1.00 H new ATOM 0 HD3 ARG A 962 13.019 5.065 15.665 1.00 1.00 H new ATOM 0 HE ARG A 962 10.936 3.808 17.372 1.00 1.00 H new ATOM 0 HH11 ARG A 962 11.839 6.148 14.928 1.00 1.00 H new ATOM 0 HH12 ARG A 962 10.491 7.233 15.283 1.00 1.00 H new ATOM 0 HH21 ARG A 962 9.222 5.224 17.834 1.00 1.00 H new ATOM 0 HH22 ARG A 962 9.028 6.716 16.908 1.00 1.00 H new ATOM 93 N ALA A 963 15.270 1.173 12.149 1.00 1.00 N ATOM 94 CA ALA A 963 16.523 0.932 11.441 1.00 1.00 C ATOM 95 C ALA A 963 16.281 0.429 10.011 1.00 1.00 C ATOM 96 O ALA A 963 15.339 -0.318 9.754 1.00 1.00 O ATOM 97 CB ALA A 963 17.348 -0.092 12.219 1.00 1.00 C ATOM 0 H ALA A 963 15.111 0.550 12.941 1.00 1.00 H new ATOM 0 HA ALA A 963 17.063 1.876 11.370 1.00 1.00 H new ATOM 0 HB1 ALA A 963 18.286 -0.277 11.695 1.00 1.00 H new ATOM 0 HB2 ALA A 963 17.559 0.293 13.217 1.00 1.00 H new ATOM 0 HB3 ALA A 963 16.788 -1.024 12.301 1.00 1.00 H new ATOM 103 N ILE A 964 17.145 0.854 9.086 1.00 1.00 N ATOM 104 CA ILE A 964 17.021 0.447 7.684 1.00 1.00 C ATOM 105 C ILE A 964 17.477 -1.008 7.502 1.00 1.00 C ATOM 106 O ILE A 964 18.087 -1.577 8.413 1.00 1.00 O ATOM 107 CB ILE A 964 17.863 1.377 6.788 1.00 1.00 C ATOM 108 CG1 ILE A 964 18.855 2.157 7.657 1.00 1.00 C ATOM 109 CG2 ILE A 964 16.954 2.365 6.053 1.00 1.00 C ATOM 110 CD1 ILE A 964 19.888 2.882 6.777 1.00 1.00 C ATOM 0 H ILE A 964 17.931 1.474 9.280 1.00 1.00 H new ATOM 0 HA ILE A 964 15.973 0.522 7.394 1.00 1.00 H new ATOM 0 HB ILE A 964 18.402 0.774 6.057 1.00 1.00 H new ATOM 0 HG12 ILE A 964 18.319 2.881 8.270 1.00 1.00 H new ATOM 0 HG13 ILE A 964 19.364 1.476 8.339 1.00 1.00 H new ATOM 0 HG21 ILE A 964 17.559 3.017 5.423 1.00 1.00 H new ATOM 0 HG22 ILE A 964 16.246 1.816 5.432 1.00 1.00 H new ATOM 0 HG23 ILE A 964 16.408 2.967 6.780 1.00 1.00 H new ATOM 0 HD11 ILE A 964 20.585 3.431 7.411 1.00 1.00 H new ATOM 0 HD12 ILE A 964 20.437 2.151 6.183 1.00 1.00 H new ATOM 0 HD13 ILE A 964 19.376 3.578 6.113 1.00 1.00 H new ATOM 122 N PRO A 965 17.202 -1.628 6.361 1.00 1.00 N ATOM 123 CA PRO A 965 17.612 -3.042 6.121 1.00 1.00 C ATOM 124 C PRO A 965 19.124 -3.201 6.194 1.00 1.00 C ATOM 125 O PRO A 965 19.874 -2.288 5.849 1.00 1.00 O ATOM 126 CB PRO A 965 17.107 -3.366 4.711 1.00 1.00 C ATOM 127 CG PRO A 965 16.080 -2.324 4.404 1.00 1.00 C ATOM 128 CD PRO A 965 16.493 -1.074 5.183 1.00 1.00 C ATOM 0 HA PRO A 965 17.200 -3.712 6.875 1.00 1.00 H new ATOM 0 HB2 PRO A 965 17.921 -3.339 3.987 1.00 1.00 H new ATOM 0 HB3 PRO A 965 16.676 -4.366 4.669 1.00 1.00 H new ATOM 0 HG2 PRO A 965 16.040 -2.120 3.334 1.00 1.00 H new ATOM 0 HG3 PRO A 965 15.086 -2.658 4.702 1.00 1.00 H new ATOM 0 HD2 PRO A 965 17.140 -0.426 4.591 1.00 1.00 H new ATOM 0 HD3 PRO A 965 15.629 -0.479 5.477 1.00 1.00 H new ATOM 136 N ILE A 966 19.564 -4.361 6.654 1.00 1.00 N ATOM 137 CA ILE A 966 20.988 -4.635 6.777 1.00 1.00 C ATOM 138 C ILE A 966 21.650 -4.701 5.406 1.00 1.00 C ATOM 139 O ILE A 966 22.847 -4.458 5.268 1.00 1.00 O ATOM 140 CB ILE A 966 21.201 -5.960 7.521 1.00 1.00 C ATOM 141 CG1 ILE A 966 20.536 -5.873 8.899 1.00 1.00 C ATOM 142 CG2 ILE A 966 22.703 -6.232 7.677 1.00 1.00 C ATOM 143 CD1 ILE A 966 20.453 -7.269 9.524 1.00 1.00 C ATOM 0 H ILE A 966 18.958 -5.127 6.948 1.00 1.00 H new ATOM 0 HA ILE A 966 21.446 -3.823 7.341 1.00 1.00 H new ATOM 0 HB ILE A 966 20.755 -6.777 6.954 1.00 1.00 H new ATOM 0 HG12 ILE A 966 21.107 -5.208 9.547 1.00 1.00 H new ATOM 0 HG13 ILE A 966 19.537 -5.447 8.805 1.00 1.00 H new ATOM 0 HG21 ILE A 966 22.849 -7.174 8.206 1.00 1.00 H new ATOM 0 HG22 ILE A 966 23.166 -6.293 6.692 1.00 1.00 H new ATOM 0 HG23 ILE A 966 23.162 -5.422 8.244 1.00 1.00 H new ATOM 0 HD11 ILE A 966 19.980 -7.202 10.503 1.00 1.00 H new ATOM 0 HD12 ILE A 966 19.863 -7.921 8.880 1.00 1.00 H new ATOM 0 HD13 ILE A 966 21.457 -7.679 9.634 1.00 1.00 H new ATOM 155 N TRP A 967 20.865 -5.038 4.393 1.00 1.00 N ATOM 156 CA TRP A 967 21.391 -5.138 3.042 1.00 1.00 C ATOM 157 C TRP A 967 22.121 -3.855 2.647 1.00 1.00 C ATOM 158 O TRP A 967 23.144 -3.902 1.970 1.00 1.00 O ATOM 159 CB TRP A 967 20.248 -5.396 2.060 1.00 1.00 C ATOM 160 CG TRP A 967 19.769 -6.798 2.195 1.00 1.00 C ATOM 161 CD1 TRP A 967 18.632 -7.180 2.830 1.00 1.00 C ATOM 162 CD2 TRP A 967 20.379 -8.005 1.677 1.00 1.00 C ATOM 163 NE1 TRP A 967 18.517 -8.557 2.741 1.00 1.00 N ATOM 164 CE2 TRP A 967 19.574 -9.110 2.038 1.00 1.00 C ATOM 165 CE3 TRP A 967 21.551 -8.243 0.936 1.00 1.00 C ATOM 166 CZ2 TRP A 967 19.923 -10.413 1.671 1.00 1.00 C ATOM 167 CZ3 TRP A 967 21.906 -9.548 0.565 1.00 1.00 C ATOM 168 CH2 TRP A 967 21.091 -10.633 0.933 1.00 1.00 C ATOM 0 H TRP A 967 19.870 -5.245 4.480 1.00 1.00 H new ATOM 0 HA TRP A 967 22.099 -5.966 3.010 1.00 1.00 H new ATOM 0 HB2 TRP A 967 19.429 -4.703 2.252 1.00 1.00 H new ATOM 0 HB3 TRP A 967 20.586 -5.215 1.040 1.00 1.00 H new ATOM 0 HD1 TRP A 967 17.933 -6.520 3.323 1.00 1.00 H new ATOM 0 HE1 TRP A 967 17.750 -9.096 3.143 1.00 1.00 H new ATOM 0 HE3 TRP A 967 22.182 -7.414 0.651 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 19.295 -11.244 1.955 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 22.807 -9.720 -0.005 1.00 1.00 H new ATOM 0 HH2 TRP A 967 21.367 -11.637 0.646 1.00 1.00 H new ATOM 179 N TRP A 968 21.595 -2.710 3.079 1.00 1.00 N ATOM 180 CA TRP A 968 22.211 -1.427 2.769 1.00 1.00 C ATOM 181 C TRP A 968 23.503 -1.233 3.557 1.00 1.00 C ATOM 182 O TRP A 968 24.474 -0.681 3.040 1.00 1.00 O ATOM 183 CB TRP A 968 21.227 -0.297 3.070 1.00 1.00 C ATOM 184 CG TRP A 968 20.211 -0.218 1.978 1.00 1.00 C ATOM 185 CD1 TRP A 968 18.974 -0.756 2.022 1.00 1.00 C ATOM 186 CD2 TRP A 968 20.329 0.433 0.687 1.00 1.00 C ATOM 187 NE1 TRP A 968 18.326 -0.482 0.833 1.00 1.00 N ATOM 188 CE2 TRP A 968 19.119 0.254 -0.023 1.00 1.00 C ATOM 189 CE3 TRP A 968 21.359 1.156 0.074 1.00 1.00 C ATOM 190 CZ2 TRP A 968 18.938 0.775 -1.304 1.00 1.00 C ATOM 191 CZ3 TRP A 968 21.185 1.681 -1.211 1.00 1.00 C ATOM 192 CH2 TRP A 968 19.977 1.493 -1.902 1.00 1.00 C ATOM 0 H TRP A 968 20.747 -2.647 3.642 1.00 1.00 H new ATOM 0 HA TRP A 968 22.463 -1.411 1.709 1.00 1.00 H new ATOM 0 HB2 TRP A 968 20.735 -0.474 4.027 1.00 1.00 H new ATOM 0 HB3 TRP A 968 21.759 0.650 3.155 1.00 1.00 H new ATOM 0 HD1 TRP A 968 18.559 -1.310 2.851 1.00 1.00 H new ATOM 0 HE1 TRP A 968 17.377 -0.787 0.615 1.00 1.00 H new ATOM 0 HE3 TRP A 968 22.292 1.309 0.595 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 18.005 0.625 -1.828 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 21.987 2.236 -1.676 1.00 1.00 H new ATOM 0 HH2 TRP A 968 19.851 1.902 -2.893 1.00 1.00 H new ATOM 203 N VAL A 969 23.529 -1.711 4.793 1.00 1.00 N ATOM 204 CA VAL A 969 24.734 -1.597 5.602 1.00 1.00 C ATOM 205 C VAL A 969 25.818 -2.468 4.987 1.00 1.00 C ATOM 206 O VAL A 969 26.971 -2.053 4.831 1.00 1.00 O ATOM 207 CB VAL A 969 24.444 -2.047 7.040 1.00 1.00 C ATOM 208 CG1 VAL A 969 25.747 -2.141 7.844 1.00 1.00 C ATOM 209 CG2 VAL A 969 23.516 -1.035 7.713 1.00 1.00 C ATOM 0 H VAL A 969 22.744 -2.174 5.251 1.00 1.00 H new ATOM 0 HA VAL A 969 25.068 -0.560 5.627 1.00 1.00 H new ATOM 0 HB VAL A 969 23.970 -3.028 7.010 1.00 1.00 H new ATOM 0 HG11 VAL A 969 25.524 -2.461 8.862 1.00 1.00 H new ATOM 0 HG12 VAL A 969 26.413 -2.864 7.374 1.00 1.00 H new ATOM 0 HG13 VAL A 969 26.231 -1.164 7.869 1.00 1.00 H new ATOM 0 HG21 VAL A 969 23.309 -1.354 8.735 1.00 1.00 H new ATOM 0 HG22 VAL A 969 23.995 -0.056 7.728 1.00 1.00 H new ATOM 0 HG23 VAL A 969 22.581 -0.973 7.156 1.00 1.00 H new ATOM 219 N LEU A 970 25.418 -3.672 4.621 1.00 1.00 N ATOM 220 CA LEU A 970 26.330 -4.615 4.004 1.00 1.00 C ATOM 221 C LEU A 970 26.822 -4.075 2.676 1.00 1.00 C ATOM 222 O LEU A 970 28.009 -4.173 2.365 1.00 1.00 O ATOM 223 CB LEU A 970 25.614 -5.940 3.777 1.00 1.00 C ATOM 224 CG LEU A 970 26.556 -6.945 3.102 1.00 1.00 C ATOM 225 CD1 LEU A 970 27.801 -7.167 3.961 1.00 1.00 C ATOM 226 CD2 LEU A 970 25.824 -8.273 2.940 1.00 1.00 C ATOM 0 H LEU A 970 24.466 -4.019 4.741 1.00 1.00 H new ATOM 0 HA LEU A 970 27.184 -4.766 4.665 1.00 1.00 H new ATOM 0 HB2 LEU A 970 25.265 -6.341 4.729 1.00 1.00 H new ATOM 0 HB3 LEU A 970 24.733 -5.783 3.155 1.00 1.00 H new ATOM 0 HG LEU A 970 26.859 -6.554 2.131 1.00 1.00 H new ATOM 0 HD11 LEU A 970 28.460 -7.883 3.469 1.00 1.00 H new ATOM 0 HD12 LEU A 970 28.326 -6.221 4.092 1.00 1.00 H new ATOM 0 HD13 LEU A 970 27.506 -7.556 4.936 1.00 1.00 H new ATOM 0 HD21 LEU A 970 26.484 -8.996 2.461 1.00 1.00 H new ATOM 0 HD22 LEU A 970 25.527 -8.647 3.920 1.00 1.00 H new ATOM 0 HD23 LEU A 970 24.937 -8.127 2.323 1.00 1.00 H new ATOM 238 N VAL A 971 25.912 -3.527 1.883 1.00 1.00 N ATOM 239 CA VAL A 971 26.286 -3.001 0.576 1.00 1.00 C ATOM 240 C VAL A 971 27.292 -1.858 0.703 1.00 1.00 C ATOM 241 O VAL A 971 28.283 -1.814 -0.030 1.00 1.00 O ATOM 242 CB VAL A 971 25.034 -2.507 -0.151 1.00 1.00 C ATOM 243 CG1 VAL A 971 25.425 -1.732 -1.408 1.00 1.00 C ATOM 244 CG2 VAL A 971 24.185 -3.708 -0.563 1.00 1.00 C ATOM 0 H VAL A 971 24.923 -3.435 2.116 1.00 1.00 H new ATOM 0 HA VAL A 971 26.756 -3.803 0.007 1.00 1.00 H new ATOM 0 HB VAL A 971 24.472 -1.855 0.518 1.00 1.00 H new ATOM 0 HG11 VAL A 971 24.525 -1.386 -1.917 1.00 1.00 H new ATOM 0 HG12 VAL A 971 26.038 -0.874 -1.131 1.00 1.00 H new ATOM 0 HG13 VAL A 971 25.991 -2.382 -2.075 1.00 1.00 H new ATOM 0 HG21 VAL A 971 23.291 -3.361 -1.082 1.00 1.00 H new ATOM 0 HG22 VAL A 971 24.763 -4.352 -1.226 1.00 1.00 H new ATOM 0 HG23 VAL A 971 23.894 -4.270 0.325 1.00 1.00 H new ATOM 254 N GLY A 972 27.028 -0.938 1.625 1.00 1.00 N ATOM 255 CA GLY A 972 27.909 0.202 1.826 1.00 1.00 C ATOM 256 C GLY A 972 29.320 -0.237 2.220 1.00 1.00 C ATOM 257 O GLY A 972 30.318 0.371 1.832 1.00 1.00 O ATOM 0 H GLY A 972 26.215 -0.961 2.241 1.00 1.00 H new ATOM 0 HA2 GLY A 972 27.954 0.793 0.911 1.00 1.00 H new ATOM 0 HA3 GLY A 972 27.498 0.847 2.603 1.00 1.00 H new ATOM 261 N VAL A 973 29.373 -1.304 3.023 1.00 1.00 N ATOM 262 CA VAL A 973 30.629 -1.852 3.516 1.00 1.00 C ATOM 263 C VAL A 973 31.408 -2.465 2.374 1.00 1.00 C ATOM 264 O VAL A 973 32.592 -2.185 2.189 1.00 1.00 O ATOM 265 CB VAL A 973 30.356 -2.924 4.585 1.00 1.00 C ATOM 266 CG1 VAL A 973 31.643 -3.680 4.901 1.00 1.00 C ATOM 267 CG2 VAL A 973 29.853 -2.272 5.871 1.00 1.00 C ATOM 0 H VAL A 973 28.546 -1.807 3.346 1.00 1.00 H new ATOM 0 HA VAL A 973 31.212 -1.045 3.959 1.00 1.00 H new ATOM 0 HB VAL A 973 29.602 -3.609 4.199 1.00 1.00 H new ATOM 0 HG11 VAL A 973 31.443 -4.438 5.659 1.00 1.00 H new ATOM 0 HG12 VAL A 973 32.014 -4.161 3.996 1.00 1.00 H new ATOM 0 HG13 VAL A 973 32.392 -2.982 5.275 1.00 1.00 H new ATOM 0 HG21 VAL A 973 29.664 -3.042 6.619 1.00 1.00 H new ATOM 0 HG22 VAL A 973 30.606 -1.579 6.246 1.00 1.00 H new ATOM 0 HG23 VAL A 973 28.930 -1.729 5.667 1.00 1.00 H new ATOM 277 N LEU A 974 30.725 -3.291 1.597 1.00 1.00 N ATOM 278 CA LEU A 974 31.343 -3.934 0.461 1.00 1.00 C ATOM 279 C LEU A 974 31.793 -2.867 -0.529 1.00 1.00 C ATOM 280 O LEU A 974 32.884 -2.935 -1.094 1.00 1.00 O ATOM 281 CB LEU A 974 30.340 -4.897 -0.200 1.00 1.00 C ATOM 282 CG LEU A 974 30.126 -6.153 0.674 1.00 1.00 C ATOM 283 CD1 LEU A 974 29.048 -7.042 0.045 1.00 1.00 C ATOM 284 CD2 LEU A 974 31.427 -6.957 0.791 1.00 1.00 C ATOM 0 H LEU A 974 29.743 -3.528 1.737 1.00 1.00 H new ATOM 0 HA LEU A 974 32.210 -4.509 0.785 1.00 1.00 H new ATOM 0 HB2 LEU A 974 29.388 -4.389 -0.353 1.00 1.00 H new ATOM 0 HB3 LEU A 974 30.706 -5.191 -1.184 1.00 1.00 H new ATOM 0 HG LEU A 974 29.813 -5.831 1.667 1.00 1.00 H new ATOM 0 HD11 LEU A 974 28.900 -7.927 0.664 1.00 1.00 H new ATOM 0 HD12 LEU A 974 28.113 -6.486 -0.024 1.00 1.00 H new ATOM 0 HD13 LEU A 974 29.364 -7.346 -0.953 1.00 1.00 H new ATOM 0 HD21 LEU A 974 31.256 -7.838 1.410 1.00 1.00 H new ATOM 0 HD22 LEU A 974 31.752 -7.269 -0.201 1.00 1.00 H new ATOM 0 HD23 LEU A 974 32.198 -6.337 1.247 1.00 1.00 H new ATOM 296 N GLY A 975 30.932 -1.873 -0.727 1.00 1.00 N ATOM 297 CA GLY A 975 31.225 -0.778 -1.647 1.00 1.00 C ATOM 298 C GLY A 975 32.390 0.039 -1.128 1.00 1.00 C ATOM 299 O GLY A 975 33.322 0.352 -1.871 1.00 1.00 O ATOM 0 H GLY A 975 30.026 -1.803 -0.263 1.00 1.00 H new ATOM 0 HA2 GLY A 975 31.460 -1.175 -2.634 1.00 1.00 H new ATOM 0 HA3 GLY A 975 30.347 -0.143 -1.760 1.00 1.00 H new ATOM 303 N GLY A 976 32.351 0.352 0.164 1.00 1.00 N ATOM 304 CA GLY A 976 33.427 1.096 0.791 1.00 1.00 C ATOM 305 C GLY A 976 34.716 0.306 0.640 1.00 1.00 C ATOM 306 O GLY A 976 35.778 0.866 0.391 1.00 1.00 O ATOM 0 H GLY A 976 31.587 0.101 0.791 1.00 1.00 H new ATOM 0 HA2 GLY A 976 33.528 2.077 0.327 1.00 1.00 H new ATOM 0 HA3 GLY A 976 33.207 1.263 1.845 1.00 1.00 H new ATOM 310 N LEU A 977 34.597 -1.014 0.775 1.00 1.00 N ATOM 311 CA LEU A 977 35.762 -1.887 0.637 1.00 1.00 C ATOM 312 C LEU A 977 36.291 -1.838 -0.796 1.00 1.00 C ATOM 313 O LEU A 977 37.498 -1.770 -1.009 1.00 1.00 O ATOM 314 CB LEU A 977 35.379 -3.334 1.004 1.00 1.00 C ATOM 315 CG LEU A 977 36.614 -4.251 0.956 1.00 1.00 C ATOM 316 CD1 LEU A 977 37.670 -3.756 1.949 1.00 1.00 C ATOM 317 CD2 LEU A 977 36.200 -5.682 1.337 1.00 1.00 C ATOM 0 H LEU A 977 33.721 -1.496 0.976 1.00 1.00 H new ATOM 0 HA LEU A 977 36.543 -1.541 1.313 1.00 1.00 H new ATOM 0 HB2 LEU A 977 34.940 -3.358 2.002 1.00 1.00 H new ATOM 0 HB3 LEU A 977 34.620 -3.701 0.313 1.00 1.00 H new ATOM 0 HG LEU A 977 37.029 -4.238 -0.052 1.00 1.00 H new ATOM 0 HD11 LEU A 977 38.541 -4.410 1.910 1.00 1.00 H new ATOM 0 HD12 LEU A 977 37.967 -2.740 1.688 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.255 -3.765 2.957 1.00 1.00 H new ATOM 0 HD21 LEU A 977 37.073 -6.334 1.304 1.00 1.00 H new ATOM 0 HD22 LEU A 977 35.783 -5.684 2.344 1.00 1.00 H new ATOM 0 HD23 LEU A 977 35.450 -6.043 0.633 1.00 1.00 H new ATOM 329 N LEU A 978 35.390 -1.871 -1.766 1.00 1.00 N ATOM 330 CA LEU A 978 35.807 -1.831 -3.166 1.00 1.00 C ATOM 331 C LEU A 978 36.481 -0.511 -3.497 1.00 1.00 C ATOM 332 O LEU A 978 37.510 -0.483 -4.172 1.00 1.00 O ATOM 333 CB LEU A 978 34.597 -2.036 -4.072 1.00 1.00 C ATOM 334 CG LEU A 978 34.146 -3.502 -3.997 1.00 1.00 C ATOM 335 CD1 LEU A 978 32.794 -3.662 -4.683 1.00 1.00 C ATOM 336 CD2 LEU A 978 35.163 -4.410 -4.692 1.00 1.00 C ATOM 0 H LEU A 978 34.382 -1.924 -1.618 1.00 1.00 H new ATOM 0 HA LEU A 978 36.526 -2.633 -3.332 1.00 1.00 H new ATOM 0 HB2 LEU A 978 33.784 -1.378 -3.766 1.00 1.00 H new ATOM 0 HB3 LEU A 978 34.850 -1.774 -5.099 1.00 1.00 H new ATOM 0 HG LEU A 978 34.067 -3.784 -2.947 1.00 1.00 H new ATOM 0 HD11 LEU A 978 32.479 -4.704 -4.627 1.00 1.00 H new ATOM 0 HD12 LEU A 978 32.057 -3.032 -4.185 1.00 1.00 H new ATOM 0 HD13 LEU A 978 32.879 -3.364 -5.728 1.00 1.00 H new ATOM 0 HD21 LEU A 978 34.828 -5.446 -4.630 1.00 1.00 H new ATOM 0 HD22 LEU A 978 35.254 -4.120 -5.739 1.00 1.00 H new ATOM 0 HD23 LEU A 978 36.132 -4.312 -4.203 1.00 1.00 H new ATOM 348 N LEU A 979 35.895 0.579 -3.036 1.00 1.00 N ATOM 349 CA LEU A 979 36.458 1.889 -3.316 1.00 1.00 C ATOM 350 C LEU A 979 37.848 2.028 -2.686 1.00 1.00 C ATOM 351 O LEU A 979 38.776 2.520 -3.321 1.00 1.00 O ATOM 352 CB LEU A 979 35.529 2.973 -2.768 1.00 1.00 C ATOM 353 CG LEU A 979 34.252 3.020 -3.611 1.00 1.00 C ATOM 354 CD1 LEU A 979 33.203 3.889 -2.910 1.00 1.00 C ATOM 355 CD2 LEU A 979 34.562 3.591 -5.003 1.00 1.00 C ATOM 0 H LEU A 979 35.043 0.586 -2.475 1.00 1.00 H new ATOM 0 HA LEU A 979 36.557 2.003 -4.395 1.00 1.00 H new ATOM 0 HB2 LEU A 979 35.283 2.765 -1.727 1.00 1.00 H new ATOM 0 HB3 LEU A 979 36.029 3.941 -2.790 1.00 1.00 H new ATOM 0 HG LEU A 979 33.861 2.009 -3.725 1.00 1.00 H new ATOM 0 HD11 LEU A 979 32.295 3.921 -3.512 1.00 1.00 H new ATOM 0 HD12 LEU A 979 32.975 3.466 -1.932 1.00 1.00 H new ATOM 0 HD13 LEU A 979 33.592 4.900 -2.786 1.00 1.00 H new ATOM 0 HD21 LEU A 979 33.648 3.621 -5.596 1.00 1.00 H new ATOM 0 HD22 LEU A 979 34.962 4.600 -4.902 1.00 1.00 H new ATOM 0 HD23 LEU A 979 35.297 2.958 -5.501 1.00 1.00 H new ATOM 367 N LEU A 980 37.980 1.586 -1.438 1.00 1.00 N ATOM 368 CA LEU A 980 39.257 1.666 -0.729 1.00 1.00 C ATOM 369 C LEU A 980 40.296 0.811 -1.428 1.00 1.00 C ATOM 370 O LEU A 980 41.461 1.191 -1.539 1.00 1.00 O ATOM 371 CB LEU A 980 39.072 1.180 0.705 1.00 1.00 C ATOM 372 CG LEU A 980 38.260 2.203 1.506 1.00 1.00 C ATOM 373 CD1 LEU A 980 37.918 1.602 2.866 1.00 1.00 C ATOM 374 CD2 LEU A 980 39.071 3.491 1.704 1.00 1.00 C ATOM 0 H LEU A 980 37.222 1.170 -0.897 1.00 1.00 H new ATOM 0 HA LEU A 980 39.598 2.701 -0.723 1.00 1.00 H new ATOM 0 HB2 LEU A 980 38.562 0.217 0.708 1.00 1.00 H new ATOM 0 HB3 LEU A 980 40.044 1.028 1.174 1.00 1.00 H new ATOM 0 HG LEU A 980 37.348 2.446 0.962 1.00 1.00 H new ATOM 0 HD11 LEU A 980 37.340 2.321 3.446 1.00 1.00 H new ATOM 0 HD12 LEU A 980 37.332 0.694 2.725 1.00 1.00 H new ATOM 0 HD13 LEU A 980 38.838 1.361 3.399 1.00 1.00 H new ATOM 0 HD21 LEU A 980 38.481 4.208 2.275 1.00 1.00 H new ATOM 0 HD22 LEU A 980 39.989 3.263 2.246 1.00 1.00 H new ATOM 0 HD23 LEU A 980 39.320 3.917 0.732 1.00 1.00 H new ATOM 386 N THR A 981 39.861 -0.344 -1.892 1.00 1.00 N ATOM 387 CA THR A 981 40.758 -1.256 -2.581 1.00 1.00 C ATOM 388 C THR A 981 41.250 -0.632 -3.871 1.00 1.00 C ATOM 389 O THR A 981 42.433 -0.693 -4.184 1.00 1.00 O ATOM 390 CB THR A 981 40.033 -2.558 -2.905 1.00 1.00 C ATOM 391 OG1 THR A 981 39.311 -2.970 -1.764 1.00 1.00 O ATOM 392 CG2 THR A 981 41.052 -3.638 -3.278 1.00 1.00 C ATOM 0 H THR A 981 38.899 -0.673 -1.806 1.00 1.00 H new ATOM 0 HA THR A 981 41.607 -1.461 -1.929 1.00 1.00 H new ATOM 0 HB THR A 981 39.354 -2.403 -3.743 1.00 1.00 H new ATOM 0 HG1 THR A 981 38.388 -2.648 -1.827 1.00 1.00 H new ATOM 0 HG21 THR A 981 40.530 -4.567 -3.509 1.00 1.00 H new ATOM 0 HG22 THR A 981 41.621 -3.316 -4.150 1.00 1.00 H new ATOM 0 HG23 THR A 981 41.731 -3.802 -2.441 1.00 1.00 H new ATOM 400 N ILE A 982 40.331 -0.055 -4.632 1.00 1.00 N ATOM 401 CA ILE A 982 40.694 0.552 -5.911 1.00 1.00 C ATOM 402 C ILE A 982 41.640 1.742 -5.729 1.00 1.00 C ATOM 403 O ILE A 982 42.609 1.897 -6.473 1.00 1.00 O ATOM 404 CB ILE A 982 39.426 1.002 -6.657 1.00 1.00 C ATOM 405 CG1 ILE A 982 38.636 -0.236 -7.104 1.00 1.00 C ATOM 406 CG2 ILE A 982 39.817 1.846 -7.878 1.00 1.00 C ATOM 407 CD1 ILE A 982 39.108 -0.700 -8.479 1.00 1.00 C ATOM 0 H ILE A 982 39.341 0.007 -4.394 1.00 1.00 H new ATOM 0 HA ILE A 982 41.218 -0.202 -6.498 1.00 1.00 H new ATOM 0 HB ILE A 982 38.805 1.606 -5.995 1.00 1.00 H new ATOM 0 HG12 ILE A 982 38.765 -1.039 -6.378 1.00 1.00 H new ATOM 0 HG13 ILE A 982 37.572 -0.004 -7.137 1.00 1.00 H new ATOM 0 HG21 ILE A 982 38.917 2.163 -8.404 1.00 1.00 H new ATOM 0 HG22 ILE A 982 40.374 2.724 -7.550 1.00 1.00 H new ATOM 0 HG23 ILE A 982 40.438 1.251 -8.548 1.00 1.00 H new ATOM 0 HD11 ILE A 982 38.538 -1.579 -8.782 1.00 1.00 H new ATOM 0 HD12 ILE A 982 38.956 0.099 -9.205 1.00 1.00 H new ATOM 0 HD13 ILE A 982 40.167 -0.952 -8.434 1.00 1.00 H new ATOM 419 N LEU A 983 41.339 2.579 -4.754 1.00 1.00 N ATOM 420 CA LEU A 983 42.153 3.763 -4.483 1.00 1.00 C ATOM 421 C LEU A 983 43.545 3.379 -3.978 1.00 1.00 C ATOM 422 O LEU A 983 44.542 3.985 -4.374 1.00 1.00 O ATOM 423 CB LEU A 983 41.425 4.644 -3.457 1.00 1.00 C ATOM 424 CG LEU A 983 40.150 5.217 -4.091 1.00 1.00 C ATOM 425 CD1 LEU A 983 39.341 5.956 -3.029 1.00 1.00 C ATOM 426 CD2 LEU A 983 40.498 6.191 -5.221 1.00 1.00 C ATOM 0 H LEU A 983 40.538 2.466 -4.133 1.00 1.00 H new ATOM 0 HA LEU A 983 42.291 4.319 -5.410 1.00 1.00 H new ATOM 0 HB2 LEU A 983 41.173 4.059 -2.572 1.00 1.00 H new ATOM 0 HB3 LEU A 983 42.077 5.454 -3.129 1.00 1.00 H new ATOM 0 HG LEU A 983 39.567 4.392 -4.501 1.00 1.00 H new ATOM 0 HD11 LEU A 983 38.436 6.363 -3.479 1.00 1.00 H new ATOM 0 HD12 LEU A 983 39.070 5.264 -2.231 1.00 1.00 H new ATOM 0 HD13 LEU A 983 39.938 6.769 -2.617 1.00 1.00 H new ATOM 0 HD21 LEU A 983 39.580 6.586 -5.657 1.00 1.00 H new ATOM 0 HD22 LEU A 983 41.093 7.013 -4.823 1.00 1.00 H new ATOM 0 HD23 LEU A 983 41.069 5.669 -5.989 1.00 1.00 H new ATOM 438 N VAL A 984 43.612 2.375 -3.118 1.00 1.00 N ATOM 439 CA VAL A 984 44.893 1.923 -2.585 1.00 1.00 C ATOM 440 C VAL A 984 45.705 1.269 -3.698 1.00 1.00 C ATOM 441 O VAL A 984 46.891 1.559 -3.886 1.00 1.00 O ATOM 442 CB VAL A 984 44.668 0.923 -1.454 1.00 1.00 C ATOM 443 CG1 VAL A 984 46.003 0.307 -1.058 1.00 1.00 C ATOM 444 CG2 VAL A 984 44.074 1.643 -0.241 1.00 1.00 C ATOM 0 H VAL A 984 42.802 1.859 -2.774 1.00 1.00 H new ATOM 0 HA VAL A 984 45.439 2.781 -2.193 1.00 1.00 H new ATOM 0 HB VAL A 984 43.982 0.145 -1.790 1.00 1.00 H new ATOM 0 HG11 VAL A 984 45.848 -0.408 -0.250 1.00 1.00 H new ATOM 0 HG12 VAL A 984 46.437 -0.204 -1.917 1.00 1.00 H new ATOM 0 HG13 VAL A 984 46.681 1.092 -0.723 1.00 1.00 H new ATOM 0 HG21 VAL A 984 43.914 0.927 0.565 1.00 1.00 H new ATOM 0 HG22 VAL A 984 44.762 2.419 0.094 1.00 1.00 H new ATOM 0 HG23 VAL A 984 43.122 2.097 -0.517 1.00 1.00 H new ATOM 454 N LEU A 985 45.039 0.397 -4.449 1.00 1.00 N ATOM 455 CA LEU A 985 45.675 -0.289 -5.563 1.00 1.00 C ATOM 456 C LEU A 985 46.094 0.737 -6.603 1.00 1.00 C ATOM 457 O LEU A 985 47.196 0.670 -7.137 1.00 1.00 O ATOM 458 CB LEU A 985 44.705 -1.299 -6.187 1.00 1.00 C ATOM 459 CG LEU A 985 44.497 -2.485 -5.237 1.00 1.00 C ATOM 460 CD1 LEU A 985 43.343 -3.348 -5.753 1.00 1.00 C ATOM 461 CD2 LEU A 985 45.767 -3.343 -5.163 1.00 1.00 C ATOM 0 H LEU A 985 44.060 0.150 -4.305 1.00 1.00 H new ATOM 0 HA LEU A 985 46.552 -0.828 -5.204 1.00 1.00 H new ATOM 0 HB2 LEU A 985 43.750 -0.817 -6.394 1.00 1.00 H new ATOM 0 HB3 LEU A 985 45.098 -1.651 -7.141 1.00 1.00 H new ATOM 0 HG LEU A 985 44.268 -2.102 -4.243 1.00 1.00 H new ATOM 0 HD11 LEU A 985 43.191 -4.193 -5.081 1.00 1.00 H new ATOM 0 HD12 LEU A 985 42.433 -2.750 -5.796 1.00 1.00 H new ATOM 0 HD13 LEU A 985 43.582 -3.717 -6.750 1.00 1.00 H new ATOM 0 HD21 LEU A 985 45.602 -4.180 -4.485 1.00 1.00 H new ATOM 0 HD22 LEU A 985 46.008 -3.723 -6.156 1.00 1.00 H new ATOM 0 HD23 LEU A 985 46.595 -2.737 -4.796 1.00 1.00 H new ATOM 473 N ALA A 986 45.226 1.695 -6.889 1.00 1.00 N ATOM 474 CA ALA A 986 45.538 2.725 -7.863 1.00 1.00 C ATOM 475 C ALA A 986 46.739 3.517 -7.382 1.00 1.00 C ATOM 476 O ALA A 986 47.658 3.805 -8.141 1.00 1.00 O ATOM 477 CB ALA A 986 44.337 3.656 -8.016 1.00 1.00 C ATOM 0 H ALA A 986 44.304 1.779 -6.461 1.00 1.00 H new ATOM 0 HA ALA A 986 45.765 2.267 -8.826 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.568 4.431 -8.747 1.00 1.00 H new ATOM 0 HB2 ALA A 986 43.474 3.083 -8.355 1.00 1.00 H new ATOM 0 HB3 ALA A 986 44.111 4.119 -7.056 1.00 1.00 H new ATOM 483 N MET A 987 46.716 3.840 -6.110 1.00 1.00 N ATOM 484 CA MET A 987 47.778 4.586 -5.477 1.00 1.00 C ATOM 485 C MET A 987 49.068 3.789 -5.498 1.00 1.00 C ATOM 486 O MET A 987 50.165 4.332 -5.592 1.00 1.00 O ATOM 487 CB MET A 987 47.357 4.897 -4.063 1.00 1.00 C ATOM 488 CG MET A 987 46.434 6.117 -4.087 1.00 1.00 C ATOM 489 SD MET A 987 45.464 6.192 -2.563 1.00 1.00 S ATOM 490 CE MET A 987 46.818 5.826 -1.422 1.00 1.00 C ATOM 0 H MET A 987 45.953 3.590 -5.480 1.00 1.00 H new ATOM 0 HA MET A 987 47.960 5.515 -6.017 1.00 1.00 H new ATOM 0 HB2 MET A 987 46.843 4.042 -3.624 1.00 1.00 H new ATOM 0 HB3 MET A 987 48.231 5.096 -3.443 1.00 1.00 H new ATOM 0 HG2 MET A 987 47.024 7.027 -4.197 1.00 1.00 H new ATOM 0 HG3 MET A 987 45.769 6.062 -4.949 1.00 1.00 H new ATOM 0 HE1 MET A 987 46.564 6.192 -0.427 1.00 1.00 H new ATOM 0 HE2 MET A 987 46.979 4.749 -1.382 1.00 1.00 H new ATOM 0 HE3 MET A 987 47.728 6.316 -1.768 1.00 1.00 H new ATOM 500 N TRP A 988 48.898 2.485 -5.414 1.00 1.00 N ATOM 501 CA TRP A 988 50.030 1.581 -5.445 1.00 1.00 C ATOM 502 C TRP A 988 50.545 1.537 -6.863 1.00 1.00 C ATOM 503 O TRP A 988 51.744 1.406 -7.106 1.00 1.00 O ATOM 504 CB TRP A 988 49.627 0.179 -4.971 1.00 1.00 C ATOM 505 CG TRP A 988 50.736 -0.807 -5.245 1.00 1.00 C ATOM 506 CD1 TRP A 988 52.063 -0.511 -5.273 1.00 1.00 C ATOM 507 CD2 TRP A 988 50.642 -2.241 -5.511 1.00 1.00 C ATOM 508 NE1 TRP A 988 52.772 -1.666 -5.543 1.00 1.00 N ATOM 509 CE2 TRP A 988 51.948 -2.756 -5.698 1.00 1.00 C ATOM 510 CE3 TRP A 988 49.564 -3.137 -5.609 1.00 1.00 C ATOM 511 CZ2 TRP A 988 52.178 -4.108 -5.971 1.00 1.00 C ATOM 512 CZ3 TRP A 988 49.790 -4.496 -5.884 1.00 1.00 C ATOM 513 CH2 TRP A 988 51.094 -4.980 -6.064 1.00 1.00 C ATOM 0 H TRP A 988 47.990 2.029 -5.324 1.00 1.00 H new ATOM 0 HA TRP A 988 50.809 1.935 -4.770 1.00 1.00 H new ATOM 0 HB2 TRP A 988 49.404 0.199 -3.904 1.00 1.00 H new ATOM 0 HB3 TRP A 988 48.717 -0.137 -5.481 1.00 1.00 H new ATOM 0 HD1 TRP A 988 52.492 0.467 -5.111 1.00 1.00 H new ATOM 0 HE1 TRP A 988 53.788 -1.705 -5.619 1.00 1.00 H new ATOM 0 HE3 TRP A 988 48.555 -2.778 -5.472 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 53.185 -4.473 -6.108 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 48.952 -5.174 -5.957 1.00 1.00 H new ATOM 0 HH2 TRP A 988 51.258 -6.027 -6.274 1.00 1.00 H new ATOM 524 N LYS A 989 49.611 1.650 -7.800 1.00 1.00 N ATOM 525 CA LYS A 989 49.924 1.619 -9.217 1.00 1.00 C ATOM 526 C LYS A 989 50.636 2.895 -9.632 1.00 1.00 C ATOM 527 O LYS A 989 51.546 2.880 -10.456 1.00 1.00 O ATOM 528 CB LYS A 989 48.635 1.446 -10.046 1.00 1.00 C ATOM 529 CG LYS A 989 48.654 0.130 -10.863 1.00 1.00 C ATOM 530 CD LYS A 989 49.463 0.292 -12.180 1.00 1.00 C ATOM 531 CE LYS A 989 50.952 -0.017 -11.968 1.00 1.00 C ATOM 532 NZ LYS A 989 51.592 -0.292 -13.286 1.00 1.00 N ATOM 0 H LYS A 989 48.618 1.765 -7.596 1.00 1.00 H new ATOM 0 HA LYS A 989 50.583 0.771 -9.404 1.00 1.00 H new ATOM 0 HB2 LYS A 989 47.771 1.450 -9.381 1.00 1.00 H new ATOM 0 HB3 LYS A 989 48.520 2.293 -10.722 1.00 1.00 H new ATOM 0 HG2 LYS A 989 49.091 -0.667 -10.262 1.00 1.00 H new ATOM 0 HG3 LYS A 989 47.632 -0.170 -11.096 1.00 1.00 H new ATOM 0 HD2 LYS A 989 49.057 -0.374 -12.942 1.00 1.00 H new ATOM 0 HD3 LYS A 989 49.351 1.310 -12.554 1.00 1.00 H new ATOM 0 HE2 LYS A 989 51.444 0.825 -11.481 1.00 1.00 H new ATOM 0 HE3 LYS A 989 51.066 -0.878 -11.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 52.601 -0.502 -13.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 51.128 -1.108 -13.734 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.494 0.542 -13.900 1.00 1.00 H new ATOM 546 N VAL A 990 50.175 4.010 -9.066 1.00 1.00 N ATOM 547 CA VAL A 990 50.751 5.303 -9.406 1.00 1.00 C ATOM 548 C VAL A 990 51.975 5.575 -8.554 1.00 1.00 C ATOM 549 O VAL A 990 52.701 6.542 -8.775 1.00 1.00 O ATOM 550 CB VAL A 990 49.744 6.441 -9.228 1.00 1.00 C ATOM 551 CG1 VAL A 990 48.342 6.005 -9.653 1.00 1.00 C ATOM 552 CG2 VAL A 990 49.708 6.854 -7.771 1.00 1.00 C ATOM 0 H VAL A 990 49.418 4.042 -8.383 1.00 1.00 H new ATOM 0 HA VAL A 990 51.035 5.263 -10.458 1.00 1.00 H new ATOM 0 HB VAL A 990 50.056 7.276 -9.855 1.00 1.00 H new ATOM 0 HG11 VAL A 990 47.646 6.833 -9.516 1.00 1.00 H new ATOM 0 HG12 VAL A 990 48.355 5.712 -10.703 1.00 1.00 H new ATOM 0 HG13 VAL A 990 48.024 5.159 -9.044 1.00 1.00 H new ATOM 0 HG21 VAL A 990 48.991 7.665 -7.640 1.00 1.00 H new ATOM 0 HG22 VAL A 990 49.409 6.003 -7.159 1.00 1.00 H new ATOM 0 HG23 VAL A 990 50.698 7.192 -7.464 1.00 1.00 H new ATOM 562 N GLY A 991 52.204 4.701 -7.576 1.00 1.00 N ATOM 563 CA GLY A 991 53.351 4.837 -6.695 1.00 1.00 C ATOM 564 C GLY A 991 53.116 5.831 -5.576 1.00 1.00 C ATOM 565 O GLY A 991 54.058 6.138 -4.849 1.00 1.00 O ATOM 0 H GLY A 991 51.610 3.896 -7.378 1.00 1.00 H new ATOM 0 HA2 GLY A 991 53.592 3.864 -6.266 1.00 1.00 H new ATOM 0 HA3 GLY A 991 54.216 5.151 -7.278 1.00 1.00 H new ATOM 569 N PHE A 992 51.923 6.391 -5.424 1.00 1.00 N ATOM 570 CA PHE A 992 51.707 7.373 -4.382 1.00 1.00 C ATOM 571 C PHE A 992 52.141 6.872 -2.994 1.00 1.00 C ATOM 572 O PHE A 992 52.054 7.609 -2.013 1.00 1.00 O ATOM 573 CB PHE A 992 50.206 7.754 -4.332 1.00 1.00 C ATOM 574 CG PHE A 992 49.973 9.225 -3.997 1.00 1.00 C ATOM 575 CD1 PHE A 992 50.813 10.228 -4.509 1.00 1.00 C ATOM 576 CD2 PHE A 992 48.928 9.572 -3.131 1.00 1.00 C ATOM 577 CE1 PHE A 992 50.600 11.566 -4.160 1.00 1.00 C ATOM 578 CE2 PHE A 992 48.714 10.911 -2.788 1.00 1.00 C ATOM 579 CZ PHE A 992 49.551 11.909 -3.301 1.00 1.00 C ATOM 0 H PHE A 992 51.107 6.184 -6.000 1.00 1.00 H new ATOM 0 HA PHE A 992 52.321 8.239 -4.628 1.00 1.00 H new ATOM 0 HB2 PHE A 992 49.748 7.530 -5.295 1.00 1.00 H new ATOM 0 HB3 PHE A 992 49.704 7.134 -3.589 1.00 1.00 H new ATOM 0 HD1 PHE A 992 51.624 9.966 -5.173 1.00 1.00 H new ATOM 0 HD2 PHE A 992 48.286 8.803 -2.727 1.00 1.00 H new ATOM 0 HE1 PHE A 992 51.247 12.335 -4.555 1.00 1.00 H new ATOM 0 HE2 PHE A 992 47.902 11.175 -2.127 1.00 1.00 H new ATOM 0 HZ PHE A 992 49.387 12.942 -3.034 1.00 1.00 H new ATOM 589 N PHE A 993 52.608 5.630 -2.914 1.00 1.00 N ATOM 590 CA PHE A 993 53.045 5.080 -1.631 1.00 1.00 C ATOM 591 C PHE A 993 54.532 5.348 -1.417 1.00 1.00 C ATOM 592 O PHE A 993 55.104 4.979 -0.385 1.00 1.00 O ATOM 593 CB PHE A 993 52.780 3.568 -1.571 1.00 1.00 C ATOM 594 CG PHE A 993 51.380 3.305 -1.069 1.00 1.00 C ATOM 595 CD1 PHE A 993 51.158 3.158 0.303 1.00 1.00 C ATOM 596 CD2 PHE A 993 50.310 3.197 -1.967 1.00 1.00 C ATOM 597 CE1 PHE A 993 49.866 2.903 0.782 1.00 1.00 C ATOM 598 CE2 PHE A 993 49.015 2.939 -1.494 1.00 1.00 C ATOM 599 CZ PHE A 993 48.792 2.788 -0.116 1.00 1.00 C ATOM 0 H PHE A 993 52.694 4.993 -3.706 1.00 1.00 H new ATOM 0 HA PHE A 993 52.475 5.570 -0.841 1.00 1.00 H new ATOM 0 HB2 PHE A 993 52.908 3.129 -2.560 1.00 1.00 H new ATOM 0 HB3 PHE A 993 53.506 3.090 -0.914 1.00 1.00 H new ATOM 0 HD1 PHE A 993 51.983 3.241 0.995 1.00 1.00 H new ATOM 0 HD2 PHE A 993 50.483 3.313 -3.027 1.00 1.00 H new ATOM 0 HE1 PHE A 993 49.696 2.795 1.843 1.00 1.00 H new ATOM 0 HE2 PHE A 993 48.192 2.857 -2.188 1.00 1.00 H new ATOM 0 HZ PHE A 993 47.798 2.584 0.252 1.00 1.00 H new ATOM 609 N LYS A 994 55.148 5.984 -2.417 1.00 1.00 N ATOM 610 CA LYS A 994 56.587 6.267 -2.322 1.00 1.00 C ATOM 611 C LYS A 994 57.047 7.427 -3.215 1.00 1.00 C ATOM 612 O LYS A 994 56.445 7.712 -4.248 1.00 1.00 O ATOM 613 CB LYS A 994 57.424 5.031 -2.721 1.00 1.00 C ATOM 614 CG LYS A 994 57.245 3.883 -1.712 1.00 1.00 C ATOM 615 CD LYS A 994 58.199 2.730 -2.055 1.00 1.00 C ATOM 616 CE LYS A 994 58.026 1.595 -1.040 1.00 1.00 C ATOM 617 NZ LYS A 994 58.937 0.462 -1.391 1.00 1.00 N ATOM 0 H LYS A 994 54.695 6.304 -3.273 1.00 1.00 H new ATOM 0 HA LYS A 994 56.746 6.540 -1.279 1.00 1.00 H new ATOM 0 HB2 LYS A 994 57.128 4.694 -3.714 1.00 1.00 H new ATOM 0 HB3 LYS A 994 58.477 5.306 -2.779 1.00 1.00 H new ATOM 0 HG2 LYS A 994 57.443 4.241 -0.702 1.00 1.00 H new ATOM 0 HG3 LYS A 994 56.214 3.530 -1.729 1.00 1.00 H new ATOM 0 HD2 LYS A 994 57.996 2.364 -3.062 1.00 1.00 H new ATOM 0 HD3 LYS A 994 59.230 3.084 -2.047 1.00 1.00 H new ATOM 0 HE2 LYS A 994 58.248 1.955 -0.036 1.00 1.00 H new ATOM 0 HE3 LYS A 994 56.991 1.254 -1.034 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 58.817 -0.306 -0.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 58.705 0.112 -2.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 59.923 0.792 -1.374 1.00 1.00 H new ATOM 631 N ARG A 995 58.124 8.092 -2.798 1.00 1.00 N ATOM 632 CA ARG A 995 58.667 9.219 -3.555 1.00 1.00 C ATOM 633 C ARG A 995 59.680 8.736 -4.584 1.00 1.00 C ATOM 634 O ARG A 995 60.684 9.403 -4.852 1.00 1.00 O ATOM 635 CB ARG A 995 59.353 10.198 -2.608 1.00 1.00 C ATOM 636 CG ARG A 995 58.315 10.896 -1.720 1.00 1.00 C ATOM 637 CD ARG A 995 59.039 11.799 -0.713 1.00 1.00 C ATOM 638 NE ARG A 995 59.851 10.996 0.204 1.00 1.00 N ATOM 639 CZ ARG A 995 59.307 10.404 1.268 1.00 1.00 C ATOM 640 NH1 ARG A 995 58.041 10.606 1.546 1.00 1.00 N ATOM 641 NH2 ARG A 995 60.045 9.642 2.039 1.00 1.00 N ATOM 0 H ARG A 995 58.636 7.871 -1.944 1.00 1.00 H new ATOM 0 HA ARG A 995 57.842 9.714 -4.068 1.00 1.00 H new ATOM 0 HB2 ARG A 995 60.075 9.668 -1.987 1.00 1.00 H new ATOM 0 HB3 ARG A 995 59.909 10.940 -3.181 1.00 1.00 H new ATOM 0 HG2 ARG A 995 57.633 11.487 -2.332 1.00 1.00 H new ATOM 0 HG3 ARG A 995 57.711 10.156 -1.195 1.00 1.00 H new ATOM 0 HD2 ARG A 995 59.673 12.509 -1.243 1.00 1.00 H new ATOM 0 HD3 ARG A 995 58.311 12.381 -0.149 1.00 1.00 H new ATOM 0 HE ARG A 995 60.849 10.888 0.026 1.00 1.00 H new ATOM 0 HH11 ARG A 995 57.478 11.213 0.950 1.00 1.00 H new ATOM 0 HH12 ARG A 995 57.619 10.156 2.358 1.00 1.00 H new ATOM 0 HH21 ARG A 995 61.032 9.503 1.824 1.00 1.00 H new ATOM 0 HH22 ARG A 995 59.632 9.188 2.853 1.00 1.00 H new ATOM 655 N ASN A 996 59.417 7.575 -5.163 1.00 1.00 N ATOM 656 CA ASN A 996 60.314 7.015 -6.160 1.00 1.00 C ATOM 657 C ASN A 996 60.369 7.937 -7.386 1.00 1.00 C ATOM 658 O ASN A 996 61.442 8.197 -7.935 1.00 1.00 O ATOM 659 CB ASN A 996 59.824 5.625 -6.574 1.00 1.00 C ATOM 660 CG ASN A 996 60.108 4.608 -5.473 1.00 1.00 C ATOM 661 OD1 ASN A 996 60.870 4.890 -4.547 1.00 1.00 O ATOM 662 ND2 ASN A 996 59.546 3.430 -5.531 1.00 1.00 N ATOM 0 H ASN A 996 58.595 7.006 -4.961 1.00 1.00 H new ATOM 0 HA ASN A 996 61.314 6.928 -5.735 1.00 1.00 H new ATOM 0 HB2 ASN A 996 58.754 5.657 -6.781 1.00 1.00 H new ATOM 0 HB3 ASN A 996 60.318 5.319 -7.496 1.00 1.00 H new ATOM 0 HD21 ASN A 996 59.737 2.738 -4.807 1.00 1.00 H new ATOM 0 HD22 ASN A 996 58.916 3.203 -6.300 1.00 1.00 H new ATOM 669 N ARG A 997 59.202 8.436 -7.803 1.00 1.00 N ATOM 670 CA ARG A 997 59.116 9.333 -8.957 1.00 1.00 C ATOM 671 C ARG A 997 58.586 10.708 -8.526 1.00 1.00 C ATOM 672 O ARG A 997 57.857 10.803 -7.541 1.00 1.00 O ATOM 673 CB ARG A 997 58.178 8.711 -9.990 1.00 1.00 C ATOM 674 CG ARG A 997 58.997 7.910 -11.006 1.00 1.00 C ATOM 675 CD ARG A 997 58.057 7.258 -12.016 1.00 1.00 C ATOM 676 NE ARG A 997 58.363 5.839 -12.159 1.00 1.00 N ATOM 677 CZ ARG A 997 57.865 5.145 -13.170 1.00 1.00 C ATOM 678 NH1 ARG A 997 57.143 5.748 -14.064 1.00 1.00 N ATOM 679 NH2 ARG A 997 58.104 3.870 -13.272 1.00 1.00 N ATOM 0 H ARG A 997 58.306 8.234 -7.359 1.00 1.00 H new ATOM 0 HA ARG A 997 60.107 9.470 -9.389 1.00 1.00 H new ATOM 0 HB2 ARG A 997 57.455 8.061 -9.496 1.00 1.00 H new ATOM 0 HB3 ARG A 997 57.611 9.491 -10.498 1.00 1.00 H new ATOM 0 HG2 ARG A 997 59.701 8.565 -11.519 1.00 1.00 H new ATOM 0 HG3 ARG A 997 59.585 7.147 -10.495 1.00 1.00 H new ATOM 0 HD2 ARG A 997 57.024 7.382 -11.692 1.00 1.00 H new ATOM 0 HD3 ARG A 997 58.150 7.755 -12.982 1.00 1.00 H new ATOM 0 HE ARG A 997 58.964 5.379 -11.476 1.00 1.00 H new ATOM 0 HH11 ARG A 997 56.963 6.749 -13.984 1.00 1.00 H new ATOM 0 HH12 ARG A 997 56.755 5.221 -14.847 1.00 1.00 H new ATOM 0 HH21 ARG A 997 58.677 3.401 -12.571 1.00 1.00 H new ATOM 0 HH22 ARG A 997 57.718 3.340 -14.053 1.00 1.00 H new ATOM 693 N PRO A 998 58.934 11.771 -9.228 1.00 1.00 N ATOM 694 CA PRO A 998 58.481 13.148 -8.878 1.00 1.00 C ATOM 695 C PRO A 998 57.079 13.175 -8.273 1.00 1.00 C ATOM 696 O PRO A 998 56.891 13.885 -7.299 1.00 1.00 O ATOM 697 CB PRO A 998 58.512 13.868 -10.221 1.00 1.00 C ATOM 698 CG PRO A 998 59.621 13.216 -10.987 1.00 1.00 C ATOM 699 CD PRO A 998 59.789 11.790 -10.428 1.00 1.00 C ATOM 700 OXT PRO A 998 56.220 12.484 -8.790 1.00 1.00 O ATOM 0 HA PRO A 998 59.110 13.607 -8.115 1.00 1.00 H new ATOM 0 HB2 PRO A 998 57.561 13.769 -10.744 1.00 1.00 H new ATOM 0 HB3 PRO A 998 58.696 14.935 -10.092 1.00 1.00 H new ATOM 0 HG2 PRO A 998 59.387 13.186 -12.051 1.00 1.00 H new ATOM 0 HG3 PRO A 998 60.546 13.782 -10.880 1.00 1.00 H new ATOM 0 HD2 PRO A 998 59.476 11.038 -11.153 1.00 1.00 H new ATOM 0 HD3 PRO A 998 60.829 11.579 -10.180 1.00 1.00 H new TER 708 PRO A 998