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 91:sc= 0.569 USER MOD Single : A 987 MET CE :methyl 153:sc= -2.47 (180deg=-4.11!) 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= -0.0348 K(o=-0.035,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 957 14.458 2.590 25.127 1.00 1.00 N ATOM 2 CA GLY A 957 15.773 3.284 25.033 1.00 1.00 C ATOM 3 C GLY A 957 16.346 3.101 23.632 1.00 1.00 C ATOM 4 O GLY A 957 15.670 3.363 22.635 1.00 1.00 O ATOM 0 HA2 GLY A 957 15.653 4.345 25.252 1.00 1.00 H new ATOM 0 HA3 GLY A 957 16.463 2.881 25.775 1.00 1.00 H new ATOM 10 N ALA A 958 17.593 2.646 23.560 1.00 1.00 N ATOM 11 CA ALA A 958 18.245 2.429 22.272 1.00 1.00 C ATOM 12 C ALA A 958 17.553 1.309 21.502 1.00 1.00 C ATOM 13 O ALA A 958 16.974 0.401 22.097 1.00 1.00 O ATOM 14 CB ALA A 958 19.717 2.073 22.481 1.00 1.00 C ATOM 0 H ALA A 958 18.169 2.422 24.371 1.00 1.00 H new ATOM 0 HA ALA A 958 18.175 3.350 21.693 1.00 1.00 H new ATOM 0 HB1 ALA A 958 20.194 1.913 21.514 1.00 1.00 H new ATOM 0 HB2 ALA A 958 20.218 2.889 23.002 1.00 1.00 H new ATOM 0 HB3 ALA A 958 19.790 1.163 23.076 1.00 1.00 H new ATOM 20 N LEU A 959 17.613 1.384 20.174 1.00 1.00 N ATOM 21 CA LEU A 959 16.978 0.373 19.336 1.00 1.00 C ATOM 22 C LEU A 959 18.004 -0.616 18.797 1.00 1.00 C ATOM 23 O LEU A 959 18.991 -0.231 18.170 1.00 1.00 O ATOM 24 CB LEU A 959 16.263 1.031 18.151 1.00 1.00 C ATOM 25 CG LEU A 959 15.249 2.063 18.648 1.00 1.00 C ATOM 26 CD1 LEU A 959 14.531 2.680 17.446 1.00 1.00 C ATOM 27 CD2 LEU A 959 14.224 1.391 19.562 1.00 1.00 C ATOM 0 H LEU A 959 18.089 2.126 19.661 1.00 1.00 H new ATOM 0 HA LEU A 959 16.257 -0.159 19.957 1.00 1.00 H new ATOM 0 HB2 LEU A 959 16.992 1.512 17.500 1.00 1.00 H new ATOM 0 HB3 LEU A 959 15.757 0.271 17.556 1.00 1.00 H new ATOM 0 HG LEU A 959 15.770 2.840 19.208 1.00 1.00 H new ATOM 0 HD11 LEU A 959 13.807 3.417 17.794 1.00 1.00 H new ATOM 0 HD12 LEU A 959 15.260 3.166 16.797 1.00 1.00 H new ATOM 0 HD13 LEU A 959 14.014 1.898 16.890 1.00 1.00 H new ATOM 0 HD21 LEU A 959 13.506 2.133 19.911 1.00 1.00 H new ATOM 0 HD22 LEU A 959 13.700 0.611 19.010 1.00 1.00 H new ATOM 0 HD23 LEU A 959 14.734 0.949 20.418 1.00 1.00 H new ATOM 39 N GLU A 960 17.741 -1.898 19.034 1.00 1.00 N ATOM 40 CA GLU A 960 18.619 -2.958 18.560 1.00 1.00 C ATOM 41 C GLU A 960 18.500 -3.086 17.042 1.00 1.00 C ATOM 42 O GLU A 960 19.488 -3.322 16.347 1.00 1.00 O ATOM 43 CB GLU A 960 18.237 -4.280 19.233 1.00 1.00 C ATOM 44 CG GLU A 960 19.245 -5.373 18.860 1.00 1.00 C ATOM 45 CD GLU A 960 20.596 -5.080 19.504 1.00 1.00 C ATOM 46 OE1 GLU A 960 20.654 -4.189 20.336 1.00 1.00 O ATOM 47 OE2 GLU A 960 21.551 -5.755 19.160 1.00 1.00 O ATOM 0 H GLU A 960 16.926 -2.226 19.552 1.00 1.00 H new ATOM 0 HA GLU A 960 19.651 -2.715 18.813 1.00 1.00 H new ATOM 0 HB2 GLU A 960 18.212 -4.152 20.315 1.00 1.00 H new ATOM 0 HB3 GLU A 960 17.235 -4.578 18.924 1.00 1.00 H new ATOM 0 HG2 GLU A 960 18.879 -6.345 19.191 1.00 1.00 H new ATOM 0 HG3 GLU A 960 19.353 -5.425 17.777 1.00 1.00 H new ATOM 54 N GLU A 961 17.278 -2.922 16.536 1.00 1.00 N ATOM 55 CA GLU A 961 17.032 -3.015 15.101 1.00 1.00 C ATOM 56 C GLU A 961 17.619 -1.809 14.380 1.00 1.00 C ATOM 57 O GLU A 961 17.531 -0.680 14.864 1.00 1.00 O ATOM 58 CB GLU A 961 15.527 -3.095 14.831 1.00 1.00 C ATOM 59 CG GLU A 961 14.841 -1.821 15.338 1.00 1.00 C ATOM 60 CD GLU A 961 13.328 -1.955 15.196 1.00 1.00 C ATOM 61 OE1 GLU A 961 12.892 -2.922 14.593 1.00 1.00 O ATOM 62 OE2 GLU A 961 12.628 -1.088 15.692 1.00 1.00 O ATOM 0 H GLU A 961 16.449 -2.725 17.096 1.00 1.00 H new ATOM 0 HA GLU A 961 17.514 -3.918 14.726 1.00 1.00 H new ATOM 0 HB2 GLU A 961 15.346 -3.217 13.763 1.00 1.00 H new ATOM 0 HB3 GLU A 961 15.105 -3.969 15.327 1.00 1.00 H new ATOM 0 HG2 GLU A 961 15.103 -1.647 16.382 1.00 1.00 H new ATOM 0 HG3 GLU A 961 15.193 -0.958 14.773 1.00 1.00 H new ATOM 69 N ARG A 962 18.219 -2.052 13.222 1.00 1.00 N ATOM 70 CA ARG A 962 18.818 -0.974 12.450 1.00 1.00 C ATOM 71 C ARG A 962 17.739 -0.102 11.822 1.00 1.00 C ATOM 72 O ARG A 962 16.643 -0.572 11.511 1.00 1.00 O ATOM 73 CB ARG A 962 19.722 -1.546 11.359 1.00 1.00 C ATOM 74 CG ARG A 962 20.925 -2.225 12.015 1.00 1.00 C ATOM 75 CD ARG A 962 21.854 -2.787 10.940 1.00 1.00 C ATOM 76 NE ARG A 962 23.005 -3.436 11.562 1.00 1.00 N ATOM 77 CZ ARG A 962 24.113 -2.754 11.844 1.00 1.00 C ATOM 78 NH1 ARG A 962 24.177 -1.474 11.600 1.00 1.00 N ATOM 79 NH2 ARG A 962 25.135 -3.365 12.375 1.00 1.00 N ATOM 0 H ARG A 962 18.303 -2.977 12.801 1.00 1.00 H new ATOM 0 HA ARG A 962 19.416 -0.360 13.124 1.00 1.00 H new ATOM 0 HB2 ARG A 962 19.171 -2.263 10.751 1.00 1.00 H new ATOM 0 HB3 ARG A 962 20.056 -0.751 10.692 1.00 1.00 H new ATOM 0 HG2 ARG A 962 21.464 -1.509 12.636 1.00 1.00 H new ATOM 0 HG3 ARG A 962 20.588 -3.027 12.672 1.00 1.00 H new ATOM 0 HD2 ARG A 962 21.314 -3.503 10.320 1.00 1.00 H new ATOM 0 HD3 ARG A 962 22.190 -1.985 10.283 1.00 1.00 H new ATOM 0 HE ARG A 962 22.959 -4.430 11.785 1.00 1.00 H new ATOM 0 HH11 ARG A 962 23.376 -0.992 11.192 1.00 1.00 H new ATOM 0 HH12 ARG A 962 25.028 -0.955 11.818 1.00 1.00 H new ATOM 0 HH21 ARG A 962 25.085 -4.364 12.574 1.00 1.00 H new ATOM 0 HH22 ARG A 962 25.985 -2.844 12.592 1.00 1.00 H new ATOM 93 N ALA A 963 18.057 1.175 11.648 1.00 1.00 N ATOM 94 CA ALA A 963 17.112 2.119 11.063 1.00 1.00 C ATOM 95 C ALA A 963 16.802 1.750 9.616 1.00 1.00 C ATOM 96 O ALA A 963 15.655 1.844 9.178 1.00 1.00 O ATOM 97 CB ALA A 963 17.699 3.529 11.116 1.00 1.00 C ATOM 0 H ALA A 963 18.958 1.580 11.902 1.00 1.00 H new ATOM 0 HA ALA A 963 16.186 2.082 11.636 1.00 1.00 H new ATOM 0 HB1 ALA A 963 16.992 4.234 10.679 1.00 1.00 H new ATOM 0 HB2 ALA A 963 17.891 3.804 12.153 1.00 1.00 H new ATOM 0 HB3 ALA A 963 18.633 3.556 10.554 1.00 1.00 H new ATOM 103 N ILE A 964 17.832 1.335 8.883 1.00 1.00 N ATOM 104 CA ILE A 964 17.668 0.953 7.482 1.00 1.00 C ATOM 105 C ILE A 964 17.955 -0.545 7.312 1.00 1.00 C ATOM 106 O ILE A 964 18.448 -1.183 8.243 1.00 1.00 O ATOM 107 CB ILE A 964 18.625 1.781 6.619 1.00 1.00 C ATOM 108 CG1 ILE A 964 19.656 2.469 7.516 1.00 1.00 C ATOM 109 CG2 ILE A 964 17.837 2.850 5.857 1.00 1.00 C ATOM 110 CD1 ILE A 964 20.723 3.144 6.648 1.00 1.00 C ATOM 0 H ILE A 964 18.786 1.255 9.234 1.00 1.00 H new ATOM 0 HA ILE A 964 16.643 1.146 7.166 1.00 1.00 H new ATOM 0 HB ILE A 964 19.130 1.123 5.912 1.00 1.00 H new ATOM 0 HG12 ILE A 964 19.166 3.209 8.149 1.00 1.00 H new ATOM 0 HG13 ILE A 964 20.120 1.739 8.179 1.00 1.00 H new ATOM 0 HG21 ILE A 964 18.520 3.438 5.244 1.00 1.00 H new ATOM 0 HG22 ILE A 964 17.097 2.369 5.217 1.00 1.00 H new ATOM 0 HG23 ILE A 964 17.332 3.505 6.567 1.00 1.00 H new ATOM 0 HD11 ILE A 964 21.457 3.634 7.288 1.00 1.00 H new ATOM 0 HD12 ILE A 964 21.221 2.393 6.034 1.00 1.00 H new ATOM 0 HD13 ILE A 964 20.252 3.886 6.003 1.00 1.00 H new ATOM 122 N PRO A 965 17.663 -1.133 6.166 1.00 1.00 N ATOM 123 CA PRO A 965 17.917 -2.591 5.947 1.00 1.00 C ATOM 124 C PRO A 965 19.390 -2.953 6.114 1.00 1.00 C ATOM 125 O PRO A 965 20.277 -2.167 5.785 1.00 1.00 O ATOM 126 CB PRO A 965 17.455 -2.854 4.509 1.00 1.00 C ATOM 127 CG PRO A 965 16.598 -1.692 4.131 1.00 1.00 C ATOM 128 CD PRO A 965 17.066 -0.505 4.970 1.00 1.00 C ATOM 0 HA PRO A 965 17.386 -3.199 6.680 1.00 1.00 H new ATOM 0 HB2 PRO A 965 18.308 -2.945 3.836 1.00 1.00 H new ATOM 0 HB3 PRO A 965 16.897 -3.788 4.444 1.00 1.00 H new ATOM 0 HG2 PRO A 965 16.691 -1.474 3.067 1.00 1.00 H new ATOM 0 HG3 PRO A 965 15.547 -1.909 4.321 1.00 1.00 H new ATOM 0 HD2 PRO A 965 17.793 0.103 4.432 1.00 1.00 H new ATOM 0 HD3 PRO A 965 16.236 0.150 5.234 1.00 1.00 H new ATOM 136 N ILE A 966 19.638 -4.150 6.638 1.00 1.00 N ATOM 137 CA ILE A 966 21.004 -4.610 6.856 1.00 1.00 C ATOM 138 C ILE A 966 21.718 -4.814 5.529 1.00 1.00 C ATOM 139 O ILE A 966 22.904 -4.509 5.394 1.00 1.00 O ATOM 140 CB ILE A 966 21.005 -5.924 7.646 1.00 1.00 C ATOM 141 CG1 ILE A 966 22.431 -6.223 8.128 1.00 1.00 C ATOM 142 CG2 ILE A 966 20.518 -7.068 6.749 1.00 1.00 C ATOM 143 CD1 ILE A 966 22.417 -7.412 9.094 1.00 1.00 C ATOM 0 H ILE A 966 18.916 -4.814 6.917 1.00 1.00 H new ATOM 0 HA ILE A 966 21.531 -3.847 7.429 1.00 1.00 H new ATOM 0 HB ILE A 966 20.339 -5.832 8.504 1.00 1.00 H new ATOM 0 HG12 ILE A 966 23.073 -6.444 7.276 1.00 1.00 H new ATOM 0 HG13 ILE A 966 22.848 -5.346 8.623 1.00 1.00 H new ATOM 0 HG21 ILE A 966 20.520 -8.000 7.314 1.00 1.00 H new ATOM 0 HG22 ILE A 966 19.506 -6.855 6.405 1.00 1.00 H new ATOM 0 HG23 ILE A 966 21.181 -7.164 5.889 1.00 1.00 H new ATOM 0 HD11 ILE A 966 23.433 -7.618 9.432 1.00 1.00 H new ATOM 0 HD12 ILE A 966 21.790 -7.175 9.953 1.00 1.00 H new ATOM 0 HD13 ILE A 966 22.019 -8.290 8.585 1.00 1.00 H new ATOM 155 N TRP A 967 20.995 -5.354 4.556 1.00 1.00 N ATOM 156 CA TRP A 967 21.571 -5.618 3.247 1.00 1.00 C ATOM 157 C TRP A 967 22.211 -4.363 2.666 1.00 1.00 C ATOM 158 O TRP A 967 23.281 -4.427 2.065 1.00 1.00 O ATOM 159 CB TRP A 967 20.483 -6.133 2.307 1.00 1.00 C ATOM 160 CG TRP A 967 20.083 -7.508 2.739 1.00 1.00 C ATOM 161 CD1 TRP A 967 18.998 -7.808 3.491 1.00 1.00 C ATOM 162 CD2 TRP A 967 20.751 -8.769 2.461 1.00 1.00 C ATOM 163 NE1 TRP A 967 18.960 -9.178 3.689 1.00 1.00 N ATOM 164 CE2 TRP A 967 20.022 -9.814 3.073 1.00 1.00 C ATOM 165 CE3 TRP A 967 21.911 -9.100 1.742 1.00 1.00 C ATOM 166 CZ2 TRP A 967 20.430 -11.144 2.973 1.00 1.00 C ATOM 167 CZ3 TRP A 967 22.327 -10.436 1.640 1.00 1.00 C ATOM 168 CH2 TRP A 967 21.588 -11.456 2.254 1.00 1.00 C ATOM 0 H TRP A 967 20.014 -5.616 4.649 1.00 1.00 H new ATOM 0 HA TRP A 967 22.349 -6.373 3.356 1.00 1.00 H new ATOM 0 HB2 TRP A 967 19.621 -5.466 2.326 1.00 1.00 H new ATOM 0 HB3 TRP A 967 20.849 -6.152 1.280 1.00 1.00 H new ATOM 0 HD1 TRP A 967 18.281 -7.097 3.873 1.00 1.00 H new ATOM 0 HE1 TRP A 967 18.237 -9.659 4.224 1.00 1.00 H new ATOM 0 HE3 TRP A 967 22.487 -8.321 1.264 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 19.856 -11.927 3.447 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 23.221 -10.679 1.086 1.00 1.00 H new ATOM 0 HH2 TRP A 967 21.913 -12.483 2.172 1.00 1.00 H new ATOM 179 N TRP A 968 21.569 -3.216 2.875 1.00 1.00 N ATOM 180 CA TRP A 968 22.109 -1.954 2.387 1.00 1.00 C ATOM 181 C TRP A 968 23.365 -1.574 3.162 1.00 1.00 C ATOM 182 O TRP A 968 24.307 -1.025 2.592 1.00 1.00 O ATOM 183 CB TRP A 968 21.062 -0.843 2.492 1.00 1.00 C ATOM 184 CG TRP A 968 20.297 -0.783 1.211 1.00 1.00 C ATOM 185 CD1 TRP A 968 19.161 -1.470 0.951 1.00 1.00 C ATOM 186 CD2 TRP A 968 20.595 -0.013 0.010 1.00 1.00 C ATOM 187 NE1 TRP A 968 18.745 -1.173 -0.335 1.00 1.00 N ATOM 188 CE2 TRP A 968 19.595 -0.278 -0.955 1.00 1.00 C ATOM 189 CE3 TRP A 968 21.626 0.882 -0.333 1.00 1.00 C ATOM 190 CZ2 TRP A 968 19.616 0.320 -2.215 1.00 1.00 C ATOM 191 CZ3 TRP A 968 21.650 1.487 -1.600 1.00 1.00 C ATOM 192 CH2 TRP A 968 20.647 1.207 -2.539 1.00 1.00 C ATOM 0 H TRP A 968 20.683 -3.136 3.374 1.00 1.00 H new ATOM 0 HA TRP A 968 22.375 -2.080 1.337 1.00 1.00 H new ATOM 0 HB2 TRP A 968 20.388 -1.037 3.326 1.00 1.00 H new ATOM 0 HB3 TRP A 968 21.545 0.114 2.689 1.00 1.00 H new ATOM 0 HD1 TRP A 968 18.661 -2.140 1.635 1.00 1.00 H new ATOM 0 HE1 TRP A 968 17.912 -1.567 -0.772 1.00 1.00 H new ATOM 0 HE3 TRP A 968 22.403 1.105 0.383 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 18.842 0.099 -2.935 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 22.446 2.172 -1.853 1.00 1.00 H new ATOM 0 HH2 TRP A 968 20.671 1.676 -3.512 1.00 1.00 H new ATOM 203 N VAL A 969 23.396 -1.902 4.451 1.00 1.00 N ATOM 204 CA VAL A 969 24.571 -1.616 5.265 1.00 1.00 C ATOM 205 C VAL A 969 25.727 -2.479 4.775 1.00 1.00 C ATOM 206 O VAL A 969 26.852 -2.011 4.600 1.00 1.00 O ATOM 207 CB VAL A 969 24.280 -1.925 6.734 1.00 1.00 C ATOM 208 CG1 VAL A 969 25.550 -1.723 7.560 1.00 1.00 C ATOM 209 CG2 VAL A 969 23.177 -0.996 7.254 1.00 1.00 C ATOM 0 H VAL A 969 22.632 -2.360 4.948 1.00 1.00 H new ATOM 0 HA VAL A 969 24.831 -0.561 5.177 1.00 1.00 H new ATOM 0 HB VAL A 969 23.948 -2.959 6.823 1.00 1.00 H new ATOM 0 HG11 VAL A 969 25.342 -1.943 8.607 1.00 1.00 H new ATOM 0 HG12 VAL A 969 26.331 -2.391 7.197 1.00 1.00 H new ATOM 0 HG13 VAL A 969 25.885 -0.690 7.466 1.00 1.00 H new ATOM 0 HG21 VAL A 969 22.975 -1.222 8.301 1.00 1.00 H new ATOM 0 HG22 VAL A 969 23.501 0.041 7.162 1.00 1.00 H new ATOM 0 HG23 VAL A 969 22.270 -1.145 6.669 1.00 1.00 H new ATOM 219 N LEU A 970 25.412 -3.747 4.538 1.00 1.00 N ATOM 220 CA LEU A 970 26.409 -4.686 4.043 1.00 1.00 C ATOM 221 C LEU A 970 26.887 -4.238 2.670 1.00 1.00 C ATOM 222 O LEU A 970 28.079 -4.289 2.375 1.00 1.00 O ATOM 223 CB LEU A 970 25.823 -6.099 3.971 1.00 1.00 C ATOM 224 CG LEU A 970 25.630 -6.645 5.391 1.00 1.00 C ATOM 225 CD1 LEU A 970 24.808 -7.933 5.338 1.00 1.00 C ATOM 226 CD2 LEU A 970 26.992 -6.943 6.037 1.00 1.00 C ATOM 0 H LEU A 970 24.483 -4.145 4.679 1.00 1.00 H new ATOM 0 HA LEU A 970 27.256 -4.705 4.729 1.00 1.00 H new ATOM 0 HB2 LEU A 970 24.869 -6.082 3.444 1.00 1.00 H new ATOM 0 HB3 LEU A 970 26.488 -6.752 3.406 1.00 1.00 H new ATOM 0 HG LEU A 970 25.107 -5.896 5.986 1.00 1.00 H new ATOM 0 HD11 LEU A 970 24.672 -8.320 6.348 1.00 1.00 H new ATOM 0 HD12 LEU A 970 23.834 -7.725 4.895 1.00 1.00 H new ATOM 0 HD13 LEU A 970 25.331 -8.674 4.733 1.00 1.00 H new ATOM 0 HD21 LEU A 970 26.840 -7.330 7.045 1.00 1.00 H new ATOM 0 HD22 LEU A 970 27.523 -7.684 5.440 1.00 1.00 H new ATOM 0 HD23 LEU A 970 27.580 -6.027 6.085 1.00 1.00 H new ATOM 238 N VAL A 971 25.957 -3.787 1.833 1.00 1.00 N ATOM 239 CA VAL A 971 26.302 -3.322 0.500 1.00 1.00 C ATOM 240 C VAL A 971 27.239 -2.121 0.593 1.00 1.00 C ATOM 241 O VAL A 971 28.238 -2.040 -0.121 1.00 1.00 O ATOM 242 CB VAL A 971 25.034 -2.938 -0.264 1.00 1.00 C ATOM 243 CG1 VAL A 971 25.409 -2.255 -1.579 1.00 1.00 C ATOM 244 CG2 VAL A 971 24.217 -4.199 -0.562 1.00 1.00 C ATOM 0 H VAL A 971 24.963 -3.735 2.056 1.00 1.00 H new ATOM 0 HA VAL A 971 26.808 -4.125 -0.035 1.00 1.00 H new ATOM 0 HB VAL A 971 24.443 -2.252 0.343 1.00 1.00 H new ATOM 0 HG11 VAL A 971 24.502 -1.983 -2.119 1.00 1.00 H new ATOM 0 HG12 VAL A 971 25.990 -1.356 -1.370 1.00 1.00 H new ATOM 0 HG13 VAL A 971 26.003 -2.937 -2.187 1.00 1.00 H new ATOM 0 HG21 VAL A 971 23.313 -3.927 -1.107 1.00 1.00 H new ATOM 0 HG22 VAL A 971 24.812 -4.884 -1.166 1.00 1.00 H new ATOM 0 HG23 VAL A 971 23.944 -4.685 0.374 1.00 1.00 H new ATOM 254 N GLY A 972 26.904 -1.187 1.483 1.00 1.00 N ATOM 255 CA GLY A 972 27.705 0.015 1.673 1.00 1.00 C ATOM 256 C GLY A 972 29.127 -0.329 2.098 1.00 1.00 C ATOM 257 O GLY A 972 30.094 0.281 1.647 1.00 1.00 O ATOM 0 H GLY A 972 26.081 -1.243 2.083 1.00 1.00 H new ATOM 0 HA2 GLY A 972 27.729 0.589 0.747 1.00 1.00 H new ATOM 0 HA3 GLY A 972 27.240 0.649 2.429 1.00 1.00 H new ATOM 261 N VAL A 973 29.233 -1.312 2.985 1.00 1.00 N ATOM 262 CA VAL A 973 30.523 -1.749 3.498 1.00 1.00 C ATOM 263 C VAL A 973 31.341 -2.363 2.380 1.00 1.00 C ATOM 264 O VAL A 973 32.522 -2.058 2.223 1.00 1.00 O ATOM 265 CB VAL A 973 30.342 -2.759 4.636 1.00 1.00 C ATOM 266 CG1 VAL A 973 31.695 -3.380 4.985 1.00 1.00 C ATOM 267 CG2 VAL A 973 29.789 -2.045 5.873 1.00 1.00 C ATOM 0 H VAL A 973 28.436 -1.823 3.364 1.00 1.00 H new ATOM 0 HA VAL A 973 31.051 -0.881 3.893 1.00 1.00 H new ATOM 0 HB VAL A 973 29.648 -3.537 4.319 1.00 1.00 H new ATOM 0 HG11 VAL A 973 31.568 -4.099 5.795 1.00 1.00 H new ATOM 0 HG12 VAL A 973 32.099 -3.888 4.109 1.00 1.00 H new ATOM 0 HG13 VAL A 973 32.384 -2.597 5.300 1.00 1.00 H new ATOM 0 HG21 VAL A 973 29.661 -2.765 6.682 1.00 1.00 H new ATOM 0 HG22 VAL A 973 30.486 -1.268 6.186 1.00 1.00 H new ATOM 0 HG23 VAL A 973 28.826 -1.594 5.633 1.00 1.00 H new ATOM 277 N LEU A 974 30.707 -3.215 1.582 1.00 1.00 N ATOM 278 CA LEU A 974 31.394 -3.838 0.468 1.00 1.00 C ATOM 279 C LEU A 974 31.843 -2.763 -0.506 1.00 1.00 C ATOM 280 O LEU A 974 32.950 -2.803 -1.038 1.00 1.00 O ATOM 281 CB LEU A 974 30.471 -4.823 -0.266 1.00 1.00 C ATOM 282 CG LEU A 974 30.183 -6.043 0.617 1.00 1.00 C ATOM 283 CD1 LEU A 974 29.180 -6.956 -0.093 1.00 1.00 C ATOM 284 CD2 LEU A 974 31.478 -6.821 0.878 1.00 1.00 C ATOM 0 H LEU A 974 29.729 -3.485 1.687 1.00 1.00 H new ATOM 0 HA LEU A 974 32.253 -4.386 0.855 1.00 1.00 H new ATOM 0 HB2 LEU A 974 29.536 -4.328 -0.530 1.00 1.00 H new ATOM 0 HB3 LEU A 974 30.937 -5.142 -1.198 1.00 1.00 H new ATOM 0 HG LEU A 974 29.770 -5.706 1.568 1.00 1.00 H new ATOM 0 HD11 LEU A 974 28.973 -7.825 0.532 1.00 1.00 H new ATOM 0 HD12 LEU A 974 28.254 -6.409 -0.273 1.00 1.00 H new ATOM 0 HD13 LEU A 974 29.598 -7.285 -1.045 1.00 1.00 H new ATOM 0 HD21 LEU A 974 31.263 -7.686 1.506 1.00 1.00 H new ATOM 0 HD22 LEU A 974 31.898 -7.157 -0.070 1.00 1.00 H new ATOM 0 HD23 LEU A 974 32.195 -6.175 1.384 1.00 1.00 H new ATOM 296 N GLY A 975 30.953 -1.804 -0.737 1.00 1.00 N ATOM 297 CA GLY A 975 31.242 -0.713 -1.661 1.00 1.00 C ATOM 298 C GLY A 975 32.364 0.148 -1.121 1.00 1.00 C ATOM 299 O GLY A 975 33.298 0.489 -1.847 1.00 1.00 O ATOM 0 H GLY A 975 30.032 -1.759 -0.301 1.00 1.00 H new ATOM 0 HA2 GLY A 975 31.520 -1.116 -2.635 1.00 1.00 H new ATOM 0 HA3 GLY A 975 30.348 -0.107 -1.810 1.00 1.00 H new ATOM 303 N GLY A 976 32.283 0.485 0.157 1.00 1.00 N ATOM 304 CA GLY A 976 33.317 1.288 0.775 1.00 1.00 C ATOM 305 C GLY A 976 34.638 0.545 0.696 1.00 1.00 C ATOM 306 O GLY A 976 35.687 1.139 0.459 1.00 1.00 O ATOM 0 H GLY A 976 31.519 0.217 0.778 1.00 1.00 H new ATOM 0 HA2 GLY A 976 33.397 2.251 0.271 1.00 1.00 H new ATOM 0 HA3 GLY A 976 33.063 1.493 1.815 1.00 1.00 H new ATOM 310 N LEU A 977 34.565 -0.774 0.873 1.00 1.00 N ATOM 311 CA LEU A 977 35.765 -1.600 0.795 1.00 1.00 C ATOM 312 C LEU A 977 36.316 -1.574 -0.625 1.00 1.00 C ATOM 313 O LEU A 977 37.517 -1.434 -0.826 1.00 1.00 O ATOM 314 CB LEU A 977 35.432 -3.046 1.193 1.00 1.00 C ATOM 315 CG LEU A 977 36.670 -3.947 1.049 1.00 1.00 C ATOM 316 CD1 LEU A 977 37.816 -3.410 1.909 1.00 1.00 C ATOM 317 CD2 LEU A 977 36.319 -5.364 1.510 1.00 1.00 C ATOM 0 H LEU A 977 33.704 -1.284 1.068 1.00 1.00 H new ATOM 0 HA LEU A 977 36.514 -1.204 1.480 1.00 1.00 H new ATOM 0 HB2 LEU A 977 35.074 -3.072 2.222 1.00 1.00 H new ATOM 0 HB3 LEU A 977 34.625 -3.425 0.566 1.00 1.00 H new ATOM 0 HG LEU A 977 36.981 -3.959 0.005 1.00 1.00 H new ATOM 0 HD11 LEU A 977 38.687 -4.056 1.799 1.00 1.00 H new ATOM 0 HD12 LEU A 977 38.070 -2.400 1.587 1.00 1.00 H new ATOM 0 HD13 LEU A 977 37.508 -3.391 2.954 1.00 1.00 H new ATOM 0 HD21 LEU A 977 37.194 -6.006 1.410 1.00 1.00 H new ATOM 0 HD22 LEU A 977 36.004 -5.340 2.553 1.00 1.00 H new ATOM 0 HD23 LEU A 977 35.509 -5.756 0.896 1.00 1.00 H new ATOM 329 N LEU A 978 35.434 -1.709 -1.603 1.00 1.00 N ATOM 330 CA LEU A 978 35.870 -1.709 -2.994 1.00 1.00 C ATOM 331 C LEU A 978 36.515 -0.373 -3.356 1.00 1.00 C ATOM 332 O LEU A 978 37.575 -0.342 -3.979 1.00 1.00 O ATOM 333 CB LEU A 978 34.670 -1.964 -3.911 1.00 1.00 C ATOM 334 CG LEU A 978 35.126 -2.068 -5.373 1.00 1.00 C ATOM 335 CD1 LEU A 978 36.093 -3.244 -5.537 1.00 1.00 C ATOM 336 CD2 LEU A 978 33.903 -2.294 -6.264 1.00 1.00 C ATOM 0 H LEU A 978 34.429 -1.818 -1.466 1.00 1.00 H new ATOM 0 HA LEU A 978 36.608 -2.500 -3.126 1.00 1.00 H new ATOM 0 HB2 LEU A 978 34.167 -2.884 -3.614 1.00 1.00 H new ATOM 0 HB3 LEU A 978 33.946 -1.156 -3.806 1.00 1.00 H new ATOM 0 HG LEU A 978 35.632 -1.146 -5.659 1.00 1.00 H new ATOM 0 HD11 LEU A 978 36.412 -3.311 -6.577 1.00 1.00 H new ATOM 0 HD12 LEU A 978 36.964 -3.090 -4.900 1.00 1.00 H new ATOM 0 HD13 LEU A 978 35.593 -4.169 -5.251 1.00 1.00 H new ATOM 0 HD21 LEU A 978 34.220 -2.369 -7.304 1.00 1.00 H new ATOM 0 HD22 LEU A 978 33.404 -3.217 -5.969 1.00 1.00 H new ATOM 0 HD23 LEU A 978 33.213 -1.457 -6.154 1.00 1.00 H new ATOM 348 N LEU A 979 35.873 0.722 -2.970 1.00 1.00 N ATOM 349 CA LEU A 979 36.416 2.042 -3.280 1.00 1.00 C ATOM 350 C LEU A 979 37.769 2.246 -2.609 1.00 1.00 C ATOM 351 O LEU A 979 38.702 2.751 -3.230 1.00 1.00 O ATOM 352 CB LEU A 979 35.456 3.130 -2.800 1.00 1.00 C ATOM 353 CG LEU A 979 34.197 3.137 -3.669 1.00 1.00 C ATOM 354 CD1 LEU A 979 33.172 4.090 -3.057 1.00 1.00 C ATOM 355 CD2 LEU A 979 34.537 3.600 -5.093 1.00 1.00 C ATOM 0 H LEU A 979 34.994 0.727 -2.452 1.00 1.00 H new ATOM 0 HA LEU A 979 36.541 2.107 -4.361 1.00 1.00 H new ATOM 0 HB2 LEU A 979 35.188 2.956 -1.758 1.00 1.00 H new ATOM 0 HB3 LEU A 979 35.944 4.103 -2.845 1.00 1.00 H new ATOM 0 HG LEU A 979 33.788 2.128 -3.714 1.00 1.00 H new ATOM 0 HD11 LEU A 979 32.272 4.100 -3.672 1.00 1.00 H new ATOM 0 HD12 LEU A 979 32.920 3.756 -2.050 1.00 1.00 H new ATOM 0 HD13 LEU A 979 33.591 5.095 -3.012 1.00 1.00 H new ATOM 0 HD21 LEU A 979 33.632 3.600 -5.701 1.00 1.00 H new ATOM 0 HD22 LEU A 979 34.952 4.607 -5.059 1.00 1.00 H new ATOM 0 HD23 LEU A 979 35.269 2.921 -5.531 1.00 1.00 H new ATOM 367 N LEU A 980 37.867 1.863 -1.341 1.00 1.00 N ATOM 368 CA LEU A 980 39.116 2.026 -0.611 1.00 1.00 C ATOM 369 C LEU A 980 40.201 1.176 -1.249 1.00 1.00 C ATOM 370 O LEU A 980 41.345 1.607 -1.382 1.00 1.00 O ATOM 371 CB LEU A 980 38.938 1.625 0.857 1.00 1.00 C ATOM 372 CG LEU A 980 38.078 2.668 1.580 1.00 1.00 C ATOM 373 CD1 LEU A 980 37.692 2.135 2.958 1.00 1.00 C ATOM 374 CD2 LEU A 980 38.851 3.984 1.744 1.00 1.00 C ATOM 0 H LEU A 980 37.108 1.443 -0.804 1.00 1.00 H new ATOM 0 HA LEU A 980 39.408 3.075 -0.652 1.00 1.00 H new ATOM 0 HB2 LEU A 980 38.467 0.644 0.921 1.00 1.00 H new ATOM 0 HB3 LEU A 980 39.911 1.543 1.342 1.00 1.00 H new ATOM 0 HG LEU A 980 37.183 2.858 0.987 1.00 1.00 H new ATOM 0 HD11 LEU A 980 37.080 2.874 3.476 1.00 1.00 H new ATOM 0 HD12 LEU A 980 37.126 1.210 2.845 1.00 1.00 H new ATOM 0 HD13 LEU A 980 38.594 1.940 3.538 1.00 1.00 H new ATOM 0 HD21 LEU A 980 38.225 4.712 2.259 1.00 1.00 H new ATOM 0 HD22 LEU A 980 39.754 3.805 2.327 1.00 1.00 H new ATOM 0 HD23 LEU A 980 39.124 4.370 0.762 1.00 1.00 H new ATOM 386 N THR A 981 39.828 -0.031 -1.642 1.00 1.00 N ATOM 387 CA THR A 981 40.778 -0.939 -2.265 1.00 1.00 C ATOM 388 C THR A 981 41.272 -0.373 -3.590 1.00 1.00 C ATOM 389 O THR A 981 42.469 -0.383 -3.867 1.00 1.00 O ATOM 390 CB THR A 981 40.114 -2.287 -2.520 1.00 1.00 C ATOM 391 OG1 THR A 981 39.380 -2.664 -1.370 1.00 1.00 O ATOM 392 CG2 THR A 981 41.195 -3.329 -2.801 1.00 1.00 C ATOM 0 H THR A 981 38.883 -0.403 -1.542 1.00 1.00 H new ATOM 0 HA THR A 981 41.625 -1.063 -1.590 1.00 1.00 H new ATOM 0 HB THR A 981 39.442 -2.218 -3.376 1.00 1.00 H new ATOM 0 HG1 THR A 981 38.461 -2.332 -1.445 1.00 1.00 H new ATOM 0 HG21 THR A 981 40.728 -4.297 -2.985 1.00 1.00 H new ATOM 0 HG22 THR A 981 41.769 -3.030 -3.678 1.00 1.00 H new ATOM 0 HG23 THR A 981 41.860 -3.404 -1.941 1.00 1.00 H new ATOM 400 N ILE A 982 40.347 0.106 -4.413 1.00 1.00 N ATOM 401 CA ILE A 982 40.716 0.650 -5.719 1.00 1.00 C ATOM 402 C ILE A 982 41.601 1.887 -5.582 1.00 1.00 C ATOM 403 O ILE A 982 42.602 2.016 -6.284 1.00 1.00 O ATOM 404 CB ILE A 982 39.456 1.002 -6.520 1.00 1.00 C ATOM 405 CG1 ILE A 982 38.717 -0.287 -6.897 1.00 1.00 C ATOM 406 CG2 ILE A 982 39.854 1.749 -7.796 1.00 1.00 C ATOM 407 CD1 ILE A 982 37.328 0.055 -7.439 1.00 1.00 C ATOM 0 H ILE A 982 39.349 0.130 -4.206 1.00 1.00 H new ATOM 0 HA ILE A 982 41.283 -0.116 -6.248 1.00 1.00 H new ATOM 0 HB ILE A 982 38.806 1.634 -5.915 1.00 1.00 H new ATOM 0 HG12 ILE A 982 39.285 -0.837 -7.647 1.00 1.00 H new ATOM 0 HG13 ILE A 982 38.628 -0.935 -6.025 1.00 1.00 H new ATOM 0 HG21 ILE A 982 38.959 1.999 -8.365 1.00 1.00 H new ATOM 0 HG22 ILE A 982 40.384 2.664 -7.532 1.00 1.00 H new ATOM 0 HG23 ILE A 982 40.503 1.116 -8.401 1.00 1.00 H new ATOM 0 HD11 ILE A 982 36.805 -0.863 -7.706 1.00 1.00 H new ATOM 0 HD12 ILE A 982 36.760 0.587 -6.675 1.00 1.00 H new ATOM 0 HD13 ILE A 982 37.427 0.686 -8.322 1.00 1.00 H new ATOM 419 N LEU A 983 41.238 2.786 -4.676 1.00 1.00 N ATOM 420 CA LEU A 983 42.026 4.000 -4.471 1.00 1.00 C ATOM 421 C LEU A 983 43.422 3.664 -3.936 1.00 1.00 C ATOM 422 O LEU A 983 44.411 4.273 -4.344 1.00 1.00 O ATOM 423 CB LEU A 983 41.307 4.943 -3.494 1.00 1.00 C ATOM 424 CG LEU A 983 40.015 5.479 -4.132 1.00 1.00 C ATOM 425 CD1 LEU A 983 39.252 6.333 -3.115 1.00 1.00 C ATOM 426 CD2 LEU A 983 40.344 6.336 -5.357 1.00 1.00 C ATOM 0 H LEU A 983 40.416 2.703 -4.078 1.00 1.00 H new ATOM 0 HA LEU A 983 42.135 4.497 -5.435 1.00 1.00 H new ATOM 0 HB2 LEU A 983 41.073 4.413 -2.571 1.00 1.00 H new ATOM 0 HB3 LEU A 983 41.962 5.773 -3.228 1.00 1.00 H new ATOM 0 HG LEU A 983 39.401 4.632 -4.439 1.00 1.00 H new ATOM 0 HD11 LEU A 983 38.337 6.711 -3.571 1.00 1.00 H new ATOM 0 HD12 LEU A 983 39.000 5.725 -2.246 1.00 1.00 H new ATOM 0 HD13 LEU A 983 39.875 7.171 -2.803 1.00 1.00 H new ATOM 0 HD21 LEU A 983 39.420 6.709 -5.799 1.00 1.00 H new ATOM 0 HD22 LEU A 983 40.968 7.178 -5.055 1.00 1.00 H new ATOM 0 HD23 LEU A 983 40.879 5.732 -6.090 1.00 1.00 H new ATOM 438 N VAL A 984 43.497 2.699 -3.024 1.00 1.00 N ATOM 439 CA VAL A 984 44.772 2.297 -2.436 1.00 1.00 C ATOM 440 C VAL A 984 45.649 1.597 -3.462 1.00 1.00 C ATOM 441 O VAL A 984 46.825 1.924 -3.627 1.00 1.00 O ATOM 442 CB VAL A 984 44.520 1.371 -1.241 1.00 1.00 C ATOM 443 CG1 VAL A 984 45.821 0.675 -0.837 1.00 1.00 C ATOM 444 CG2 VAL A 984 43.996 2.193 -0.058 1.00 1.00 C ATOM 0 H VAL A 984 42.690 2.181 -2.676 1.00 1.00 H new ATOM 0 HA VAL A 984 45.294 3.192 -2.098 1.00 1.00 H new ATOM 0 HB VAL A 984 43.782 0.619 -1.522 1.00 1.00 H new ATOM 0 HG11 VAL A 984 45.634 0.019 0.013 1.00 1.00 H new ATOM 0 HG12 VAL A 984 46.194 0.086 -1.675 1.00 1.00 H new ATOM 0 HG13 VAL A 984 46.563 1.424 -0.561 1.00 1.00 H new ATOM 0 HG21 VAL A 984 43.817 1.534 0.792 1.00 1.00 H new ATOM 0 HG22 VAL A 984 44.734 2.947 0.216 1.00 1.00 H new ATOM 0 HG23 VAL A 984 43.064 2.683 -0.340 1.00 1.00 H new ATOM 454 N LEU A 985 45.058 0.649 -4.166 1.00 1.00 N ATOM 455 CA LEU A 985 45.777 -0.084 -5.199 1.00 1.00 C ATOM 456 C LEU A 985 46.198 0.883 -6.290 1.00 1.00 C ATOM 457 O LEU A 985 47.317 0.804 -6.796 1.00 1.00 O ATOM 458 CB LEU A 985 44.867 -1.156 -5.805 1.00 1.00 C ATOM 459 CG LEU A 985 44.622 -2.281 -4.795 1.00 1.00 C ATOM 460 CD1 LEU A 985 43.577 -3.243 -5.363 1.00 1.00 C ATOM 461 CD2 LEU A 985 45.924 -3.042 -4.522 1.00 1.00 C ATOM 0 H LEU A 985 44.085 0.367 -4.044 1.00 1.00 H new ATOM 0 HA LEU A 985 46.654 -0.560 -4.760 1.00 1.00 H new ATOM 0 HB2 LEU A 985 43.917 -0.711 -6.101 1.00 1.00 H new ATOM 0 HB3 LEU A 985 45.324 -1.562 -6.708 1.00 1.00 H new ATOM 0 HG LEU A 985 44.264 -1.852 -3.859 1.00 1.00 H new ATOM 0 HD11 LEU A 985 43.397 -4.047 -4.650 1.00 1.00 H new ATOM 0 HD12 LEU A 985 42.647 -2.704 -5.545 1.00 1.00 H new ATOM 0 HD13 LEU A 985 43.941 -3.664 -6.300 1.00 1.00 H new ATOM 0 HD21 LEU A 985 45.736 -3.839 -3.802 1.00 1.00 H new ATOM 0 HD22 LEU A 985 46.295 -3.473 -5.452 1.00 1.00 H new ATOM 0 HD23 LEU A 985 46.668 -2.356 -4.117 1.00 1.00 H new ATOM 473 N ALA A 986 45.309 1.784 -6.670 1.00 1.00 N ATOM 474 CA ALA A 986 45.621 2.739 -7.726 1.00 1.00 C ATOM 475 C ALA A 986 46.763 3.638 -7.295 1.00 1.00 C ATOM 476 O ALA A 986 47.701 3.884 -8.050 1.00 1.00 O ATOM 477 CB ALA A 986 44.394 3.597 -8.025 1.00 1.00 C ATOM 0 H ALA A 986 44.375 1.877 -6.270 1.00 1.00 H new ATOM 0 HA ALA A 986 45.912 2.189 -8.621 1.00 1.00 H new ATOM 0 HB1 ALA A 986 44.632 4.309 -8.815 1.00 1.00 H new ATOM 0 HB2 ALA A 986 43.573 2.957 -8.348 1.00 1.00 H new ATOM 0 HB3 ALA A 986 44.100 4.138 -7.125 1.00 1.00 H new ATOM 483 N MET A 987 46.678 4.103 -6.068 1.00 1.00 N ATOM 484 CA MET A 987 47.688 4.968 -5.499 1.00 1.00 C ATOM 485 C MET A 987 49.013 4.234 -5.406 1.00 1.00 C ATOM 486 O MET A 987 50.093 4.808 -5.500 1.00 1.00 O ATOM 487 CB MET A 987 47.223 5.451 -4.140 1.00 1.00 C ATOM 488 CG MET A 987 46.305 6.667 -4.344 1.00 1.00 C ATOM 489 SD MET A 987 45.170 6.850 -2.946 1.00 1.00 S ATOM 490 CE MET A 987 46.387 6.590 -1.646 1.00 1.00 C ATOM 0 H MET A 987 45.906 3.892 -5.436 1.00 1.00 H new ATOM 0 HA MET A 987 47.838 5.836 -6.141 1.00 1.00 H new ATOM 0 HB2 MET A 987 46.690 4.657 -3.618 1.00 1.00 H new ATOM 0 HB3 MET A 987 48.078 5.721 -3.521 1.00 1.00 H new ATOM 0 HG2 MET A 987 46.907 7.570 -4.452 1.00 1.00 H new ATOM 0 HG3 MET A 987 45.738 6.550 -5.267 1.00 1.00 H new ATOM 0 HE1 MET A 987 46.067 7.105 -0.740 1.00 1.00 H new ATOM 0 HE2 MET A 987 46.481 5.523 -1.443 1.00 1.00 H new ATOM 0 HE3 MET A 987 47.351 6.984 -1.966 1.00 1.00 H new ATOM 500 N TRP A 988 48.898 2.936 -5.212 1.00 1.00 N ATOM 501 CA TRP A 988 50.072 2.092 -5.120 1.00 1.00 C ATOM 502 C TRP A 988 50.626 1.892 -6.518 1.00 1.00 C ATOM 503 O TRP A 988 51.838 1.803 -6.716 1.00 1.00 O ATOM 504 CB TRP A 988 49.721 0.744 -4.487 1.00 1.00 C ATOM 505 CG TRP A 988 50.878 -0.206 -4.598 1.00 1.00 C ATOM 506 CD1 TRP A 988 52.192 0.136 -4.615 1.00 1.00 C ATOM 507 CD2 TRP A 988 50.837 -1.656 -4.702 1.00 1.00 C ATOM 508 NE1 TRP A 988 52.950 -1.016 -4.725 1.00 1.00 N ATOM 509 CE2 TRP A 988 52.160 -2.144 -4.783 1.00 1.00 C ATOM 510 CE3 TRP A 988 49.783 -2.584 -4.734 1.00 1.00 C ATOM 511 CZ2 TRP A 988 52.430 -3.508 -4.893 1.00 1.00 C ATOM 512 CZ3 TRP A 988 50.050 -3.956 -4.845 1.00 1.00 C ATOM 513 CH2 TRP A 988 51.371 -4.418 -4.925 1.00 1.00 C ATOM 0 H TRP A 988 48.009 2.445 -5.115 1.00 1.00 H new ATOM 0 HA TRP A 988 50.820 2.569 -4.487 1.00 1.00 H new ATOM 0 HB2 TRP A 988 49.458 0.885 -3.439 1.00 1.00 H new ATOM 0 HB3 TRP A 988 48.846 0.320 -4.981 1.00 1.00 H new ATOM 0 HD1 TRP A 988 52.581 1.142 -4.553 1.00 1.00 H new ATOM 0 HE1 TRP A 988 53.969 -1.029 -4.759 1.00 1.00 H new ATOM 0 HE3 TRP A 988 48.761 -2.239 -4.673 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 53.450 -3.858 -4.953 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 49.233 -4.661 -4.869 1.00 1.00 H new ATOM 0 HH2 TRP A 988 51.570 -5.476 -5.011 1.00 1.00 H new ATOM 524 N LYS A 989 49.726 1.817 -7.493 1.00 1.00 N ATOM 525 CA LYS A 989 50.116 1.617 -8.883 1.00 1.00 C ATOM 526 C LYS A 989 50.788 2.874 -9.416 1.00 1.00 C ATOM 527 O LYS A 989 51.754 2.813 -10.177 1.00 1.00 O ATOM 528 CB LYS A 989 48.879 1.286 -9.741 1.00 1.00 C ATOM 529 CG LYS A 989 49.010 -0.095 -10.431 1.00 1.00 C ATOM 530 CD LYS A 989 49.809 -0.005 -11.755 1.00 1.00 C ATOM 531 CE LYS A 989 51.310 -0.218 -11.510 1.00 1.00 C ATOM 532 NZ LYS A 989 52.003 -0.389 -12.817 1.00 1.00 N ATOM 0 H LYS A 989 48.720 1.892 -7.345 1.00 1.00 H new ATOM 0 HA LYS A 989 50.816 0.783 -8.935 1.00 1.00 H new ATOM 0 HB2 LYS A 989 47.988 1.296 -9.113 1.00 1.00 H new ATOM 0 HB3 LYS A 989 48.744 2.059 -10.498 1.00 1.00 H new ATOM 0 HG2 LYS A 989 49.504 -0.793 -9.755 1.00 1.00 H new ATOM 0 HG3 LYS A 989 48.017 -0.496 -10.633 1.00 1.00 H new ATOM 0 HD2 LYS A 989 49.442 -0.754 -12.457 1.00 1.00 H new ATOM 0 HD3 LYS A 989 49.647 0.970 -12.216 1.00 1.00 H new ATOM 0 HE2 LYS A 989 51.727 0.634 -10.973 1.00 1.00 H new ATOM 0 HE3 LYS A 989 51.467 -1.097 -10.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 53.020 -0.533 -12.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 51.611 -1.215 -13.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 51.863 0.462 -13.398 1.00 1.00 H new ATOM 546 N VAL A 990 50.257 4.018 -9.001 1.00 1.00 N ATOM 547 CA VAL A 990 50.823 5.281 -9.454 1.00 1.00 C ATOM 548 C VAL A 990 52.080 5.587 -8.654 1.00 1.00 C ATOM 549 O VAL A 990 52.743 6.596 -8.890 1.00 1.00 O ATOM 550 CB VAL A 990 49.825 6.444 -9.323 1.00 1.00 C ATOM 551 CG1 VAL A 990 48.409 6.001 -9.691 1.00 1.00 C ATOM 552 CG2 VAL A 990 49.822 6.960 -7.894 1.00 1.00 C ATOM 0 H VAL A 990 49.459 4.098 -8.370 1.00 1.00 H new ATOM 0 HA VAL A 990 51.065 5.178 -10.512 1.00 1.00 H new ATOM 0 HB VAL A 990 50.137 7.232 -10.009 1.00 1.00 H new ATOM 0 HG11 VAL A 990 47.726 6.844 -9.589 1.00 1.00 H new ATOM 0 HG12 VAL A 990 48.395 5.646 -10.721 1.00 1.00 H new ATOM 0 HG13 VAL A 990 48.095 5.197 -9.026 1.00 1.00 H new ATOM 0 HG21 VAL A 990 49.114 7.784 -7.806 1.00 1.00 H new ATOM 0 HG22 VAL A 990 49.530 6.157 -7.218 1.00 1.00 H new ATOM 0 HG23 VAL A 990 50.820 7.310 -7.632 1.00 1.00 H new ATOM 562 N GLY A 991 52.432 4.693 -7.728 1.00 1.00 N ATOM 563 CA GLY A 991 53.638 4.855 -6.932 1.00 1.00 C ATOM 564 C GLY A 991 53.446 5.826 -5.797 1.00 1.00 C ATOM 565 O GLY A 991 54.404 6.119 -5.082 1.00 1.00 O ATOM 0 H GLY A 991 51.896 3.852 -7.515 1.00 1.00 H new ATOM 0 HA2 GLY A 991 53.940 3.887 -6.532 1.00 1.00 H new ATOM 0 HA3 GLY A 991 54.449 5.203 -7.572 1.00 1.00 H new ATOM 569 N PHE A 992 52.268 6.383 -5.631 1.00 1.00 N ATOM 570 CA PHE A 992 52.091 7.359 -4.595 1.00 1.00 C ATOM 571 C PHE A 992 52.662 6.865 -3.264 1.00 1.00 C ATOM 572 O PHE A 992 53.299 7.620 -2.530 1.00 1.00 O ATOM 573 CB PHE A 992 50.598 7.698 -4.433 1.00 1.00 C ATOM 574 CG PHE A 992 50.386 9.153 -4.033 1.00 1.00 C ATOM 575 CD1 PHE A 992 51.158 10.190 -4.599 1.00 1.00 C ATOM 576 CD2 PHE A 992 49.444 9.457 -3.048 1.00 1.00 C ATOM 577 CE1 PHE A 992 50.970 11.514 -4.182 1.00 1.00 C ATOM 578 CE2 PHE A 992 49.254 10.783 -2.636 1.00 1.00 C ATOM 579 CZ PHE A 992 50.017 11.810 -3.202 1.00 1.00 C ATOM 0 H PHE A 992 51.439 6.180 -6.189 1.00 1.00 H new ATOM 0 HA PHE A 992 52.634 8.258 -4.885 1.00 1.00 H new ATOM 0 HB2 PHE A 992 50.077 7.499 -5.370 1.00 1.00 H new ATOM 0 HB3 PHE A 992 50.157 7.046 -3.679 1.00 1.00 H new ATOM 0 HD1 PHE A 992 51.895 9.962 -5.355 1.00 1.00 H new ATOM 0 HD2 PHE A 992 48.859 8.666 -2.602 1.00 1.00 H new ATOM 0 HE1 PHE A 992 51.561 12.306 -4.617 1.00 1.00 H new ATOM 0 HE2 PHE A 992 48.517 11.012 -1.880 1.00 1.00 H new ATOM 0 HZ PHE A 992 49.870 12.831 -2.882 1.00 1.00 H new ATOM 589 N PHE A 993 52.428 5.587 -2.964 1.00 1.00 N ATOM 590 CA PHE A 993 52.927 5.005 -1.718 1.00 1.00 C ATOM 591 C PHE A 993 54.391 4.593 -1.854 1.00 1.00 C ATOM 592 O PHE A 993 55.058 4.239 -0.883 1.00 1.00 O ATOM 593 CB PHE A 993 52.154 3.732 -1.364 1.00 1.00 C ATOM 594 CG PHE A 993 50.769 4.033 -0.843 1.00 1.00 C ATOM 595 CD1 PHE A 993 50.598 4.767 0.340 1.00 1.00 C ATOM 596 CD2 PHE A 993 49.651 3.542 -1.526 1.00 1.00 C ATOM 597 CE1 PHE A 993 49.310 5.012 0.832 1.00 1.00 C ATOM 598 CE2 PHE A 993 48.371 3.781 -1.031 1.00 1.00 C ATOM 599 CZ PHE A 993 48.198 4.517 0.148 1.00 1.00 C ATOM 0 H PHE A 993 51.904 4.943 -3.557 1.00 1.00 H new ATOM 0 HA PHE A 993 52.805 5.768 -0.949 1.00 1.00 H new ATOM 0 HB2 PHE A 993 52.078 3.097 -2.247 1.00 1.00 H new ATOM 0 HB3 PHE A 993 52.709 3.169 -0.613 1.00 1.00 H new ATOM 0 HD1 PHE A 993 51.460 5.143 0.871 1.00 1.00 H new ATOM 0 HD2 PHE A 993 49.780 2.977 -2.438 1.00 1.00 H new ATOM 0 HE1 PHE A 993 49.177 5.583 1.739 1.00 1.00 H new ATOM 0 HE2 PHE A 993 47.510 3.398 -1.558 1.00 1.00 H new ATOM 0 HZ PHE A 993 47.204 4.702 0.528 1.00 1.00 H new ATOM 609 N LYS A 994 54.879 4.716 -3.085 1.00 1.00 N ATOM 610 CA LYS A 994 56.281 4.426 -3.362 1.00 1.00 C ATOM 611 C LYS A 994 57.054 5.734 -3.321 1.00 1.00 C ATOM 612 O LYS A 994 56.539 6.785 -3.700 1.00 1.00 O ATOM 613 CB LYS A 994 56.457 3.778 -4.735 1.00 1.00 C ATOM 614 CG LYS A 994 55.870 2.369 -4.725 1.00 1.00 C ATOM 615 CD LYS A 994 56.105 1.726 -6.091 1.00 1.00 C ATOM 616 CE LYS A 994 55.492 0.329 -6.114 1.00 1.00 C ATOM 617 NZ LYS A 994 55.747 -0.297 -7.441 1.00 1.00 N ATOM 0 H LYS A 994 54.334 5.010 -3.895 1.00 1.00 H new ATOM 0 HA LYS A 994 56.652 3.727 -2.613 1.00 1.00 H new ATOM 0 HB2 LYS A 994 55.964 4.381 -5.497 1.00 1.00 H new ATOM 0 HB3 LYS A 994 57.515 3.739 -4.995 1.00 1.00 H new ATOM 0 HG2 LYS A 994 56.337 1.772 -3.942 1.00 1.00 H new ATOM 0 HG3 LYS A 994 54.803 2.406 -4.504 1.00 1.00 H new ATOM 0 HD2 LYS A 994 55.662 2.341 -6.874 1.00 1.00 H new ATOM 0 HD3 LYS A 994 57.174 1.668 -6.297 1.00 1.00 H new ATOM 0 HE2 LYS A 994 55.923 -0.283 -5.321 1.00 1.00 H new ATOM 0 HE3 LYS A 994 54.420 0.386 -5.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 994 55.331 -1.250 -7.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 994 55.316 0.285 -8.188 1.00 1.00 H new ATOM 0 HZ3 LYS A 994 56.772 -0.364 -7.602 1.00 1.00 H new ATOM 631 N ARG A 995 58.294 5.661 -2.856 1.00 1.00 N ATOM 632 CA ARG A 995 59.133 6.845 -2.770 1.00 1.00 C ATOM 633 C ARG A 995 59.460 7.369 -4.165 1.00 1.00 C ATOM 634 O ARG A 995 59.494 8.578 -4.394 1.00 1.00 O ATOM 635 CB ARG A 995 60.431 6.511 -2.032 1.00 1.00 C ATOM 636 CG ARG A 995 60.127 6.237 -0.558 1.00 1.00 C ATOM 637 CD ARG A 995 61.426 5.891 0.170 1.00 1.00 C ATOM 638 NE ARG A 995 61.171 5.607 1.579 1.00 1.00 N ATOM 639 CZ ARG A 995 62.169 5.560 2.456 1.00 1.00 C ATOM 640 NH1 ARG A 995 63.389 5.817 2.066 1.00 1.00 N ATOM 641 NH2 ARG A 995 61.932 5.265 3.706 1.00 1.00 N ATOM 0 H ARG A 995 58.737 4.800 -2.535 1.00 1.00 H new ATOM 0 HA ARG A 995 58.591 7.615 -2.221 1.00 1.00 H new ATOM 0 HB2 ARG A 995 60.904 5.640 -2.484 1.00 1.00 H new ATOM 0 HB3 ARG A 995 61.135 7.338 -2.121 1.00 1.00 H new ATOM 0 HG2 ARG A 995 59.663 7.111 -0.102 1.00 1.00 H new ATOM 0 HG3 ARG A 995 59.416 5.415 -0.468 1.00 1.00 H new ATOM 0 HD2 ARG A 995 61.893 5.026 -0.301 1.00 1.00 H new ATOM 0 HD3 ARG A 995 62.129 6.720 0.083 1.00 1.00 H new ATOM 0 HE ARG A 995 60.215 5.443 1.895 1.00 1.00 H new ATOM 0 HH11 ARG A 995 63.574 6.053 1.091 1.00 1.00 H new ATOM 0 HH12 ARG A 995 64.157 5.782 2.736 1.00 1.00 H new ATOM 0 HH21 ARG A 995 60.979 5.070 4.012 1.00 1.00 H new ATOM 0 HH22 ARG A 995 62.700 5.230 4.376 1.00 1.00 H new ATOM 655 N ASN A 996 59.709 6.447 -5.090 1.00 1.00 N ATOM 656 CA ASN A 996 60.046 6.822 -6.459 1.00 1.00 C ATOM 657 C ASN A 996 58.808 6.807 -7.351 1.00 1.00 C ATOM 658 O ASN A 996 58.298 5.744 -7.705 1.00 1.00 O ATOM 659 CB ASN A 996 61.086 5.850 -7.019 1.00 1.00 C ATOM 660 CG ASN A 996 61.802 6.475 -8.211 1.00 1.00 C ATOM 661 OD1 ASN A 996 61.516 7.612 -8.584 1.00 1.00 O ATOM 662 ND2 ASN A 996 62.721 5.791 -8.838 1.00 1.00 N ATOM 0 H ASN A 996 59.684 5.442 -4.919 1.00 1.00 H new ATOM 0 HA ASN A 996 60.452 7.833 -6.445 1.00 1.00 H new ATOM 0 HB2 ASN A 996 61.809 5.594 -6.245 1.00 1.00 H new ATOM 0 HB3 ASN A 996 60.601 4.922 -7.322 1.00 1.00 H new ATOM 0 HD21 ASN A 996 63.203 6.199 -9.639 1.00 1.00 H new ATOM 0 HD22 ASN A 996 62.956 4.849 -8.527 1.00 1.00 H new ATOM 669 N ARG A 997 58.340 7.994 -7.720 1.00 1.00 N ATOM 670 CA ARG A 997 57.171 8.111 -8.586 1.00 1.00 C ATOM 671 C ARG A 997 57.524 7.659 -10.001 1.00 1.00 C ATOM 672 O ARG A 997 58.697 7.615 -10.366 1.00 1.00 O ATOM 673 CB ARG A 997 56.689 9.563 -8.621 1.00 1.00 C ATOM 674 CG ARG A 997 57.754 10.476 -8.011 1.00 1.00 C ATOM 675 CD ARG A 997 57.349 11.937 -8.213 1.00 1.00 C ATOM 676 NE ARG A 997 55.897 12.060 -8.174 1.00 1.00 N ATOM 677 CZ ARG A 997 55.238 12.031 -7.021 1.00 1.00 C ATOM 678 NH1 ARG A 997 55.897 11.952 -5.898 1.00 1.00 N ATOM 679 NH2 ARG A 997 53.934 12.091 -7.013 1.00 1.00 N ATOM 0 H ARG A 997 58.749 8.884 -7.436 1.00 1.00 H new ATOM 0 HA ARG A 997 56.377 7.477 -8.192 1.00 1.00 H new ATOM 0 HB2 ARG A 997 56.484 9.863 -9.649 1.00 1.00 H new ATOM 0 HB3 ARG A 997 55.754 9.659 -8.069 1.00 1.00 H new ATOM 0 HG2 ARG A 997 57.866 10.262 -6.948 1.00 1.00 H new ATOM 0 HG3 ARG A 997 58.721 10.287 -8.478 1.00 1.00 H new ATOM 0 HD2 ARG A 997 57.796 12.558 -7.437 1.00 1.00 H new ATOM 0 HD3 ARG A 997 57.728 12.300 -9.169 1.00 1.00 H new ATOM 0 HE ARG A 997 55.379 12.170 -9.046 1.00 1.00 H new ATOM 0 HH11 ARG A 997 56.916 11.913 -5.906 1.00 1.00 H new ATOM 0 HH12 ARG A 997 55.393 11.930 -5.011 1.00 1.00 H new ATOM 0 HH21 ARG A 997 53.421 12.160 -7.892 1.00 1.00 H new ATOM 0 HH22 ARG A 997 53.428 12.069 -6.128 1.00 1.00 H new ATOM 693 N PRO A 998 56.543 7.324 -10.800 1.00 1.00 N ATOM 694 CA PRO A 998 56.775 6.870 -12.202 1.00 1.00 C ATOM 695 C PRO A 998 57.461 7.945 -13.042 1.00 1.00 C ATOM 696 O PRO A 998 56.792 8.898 -13.406 1.00 1.00 O ATOM 697 CB PRO A 998 55.374 6.569 -12.742 1.00 1.00 C ATOM 698 CG PRO A 998 54.420 7.245 -11.813 1.00 1.00 C ATOM 699 CD PRO A 998 55.116 7.336 -10.457 1.00 1.00 C ATOM 700 OXT PRO A 998 58.644 7.801 -13.303 1.00 1.00 O ATOM 0 HA PRO A 998 57.437 6.005 -12.242 1.00 1.00 H new ATOM 0 HB2 PRO A 998 55.259 6.943 -13.759 1.00 1.00 H new ATOM 0 HB3 PRO A 998 55.191 5.495 -12.775 1.00 1.00 H new ATOM 0 HG2 PRO A 998 54.159 8.237 -12.181 1.00 1.00 H new ATOM 0 HG3 PRO A 998 53.491 6.680 -11.734 1.00 1.00 H new ATOM 0 HD2 PRO A 998 54.839 8.246 -9.925 1.00 1.00 H new ATOM 0 HD3 PRO A 998 54.851 6.497 -9.813 1.00 1.00 H new TER 708 PRO A 998