USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 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 971 THR OG1 : rot -84:sc= -3.74! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.07! C(o=-11!,f=-9.1!) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= 0.4 K(o=0.4,f=-1.2) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -126:sc= 0 (180deg=-0.0384) USER MOD Single : A 973 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 979 LYS NZ :NH3+ 163:sc= -0.0806 (180deg=-0.41) USER MOD Single : A 984 SER OG : rot -43:sc= 0.786! USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -150:sc= 0.393 USER MOD Single : A 992 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.21) USER MOD Single : A 994 TYR OH : rot 64:sc= 1.16 USER MOD Single : A 995 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 952 -7.943 6.885 8.061 1.00 0.00 N ATOM 93 CA ARG A 952 -7.183 7.680 9.014 1.00 0.00 C ATOM 94 C ARG A 952 -6.139 8.532 8.301 1.00 0.00 C ATOM 95 O ARG A 952 -5.938 8.407 7.093 1.00 0.00 O ATOM 96 CB ARG A 952 -6.504 6.764 10.035 1.00 0.00 C ATOM 97 CG ARG A 952 -7.561 6.167 10.966 1.00 0.00 C ATOM 98 CD ARG A 952 -6.899 5.186 11.936 1.00 0.00 C ATOM 99 NE ARG A 952 -6.508 3.970 11.231 1.00 0.00 N ATOM 100 CZ ARG A 952 -5.670 3.098 11.780 1.00 0.00 C ATOM 101 NH1 ARG A 952 -5.173 3.331 12.964 1.00 0.00 N ATOM 102 NH2 ARG A 952 -5.356 2.007 11.136 1.00 0.00 N ATOM 0 HA ARG A 952 -7.873 8.346 9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.964 5.968 9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.771 7.326 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.061 6.961 11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.326 5.656 10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.024 5.649 12.392 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -7.588 4.941 12.744 1.00 0.00 H new ATOM 0 HE ARG A 952 -6.884 3.786 10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.428 4.181 13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -4.529 2.663 13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -5.754 1.826 10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -4.713 1.335 11.554 1.00 0.00 H new ATOM 116 N ASP A 953 -5.484 9.407 9.055 1.00 0.00 N ATOM 117 CA ASP A 953 -4.471 10.282 8.476 1.00 0.00 C ATOM 118 C ASP A 953 -3.338 9.464 7.863 1.00 0.00 C ATOM 119 O ASP A 953 -2.902 9.735 6.743 1.00 0.00 O ATOM 120 CB ASP A 953 -3.910 11.204 9.563 1.00 0.00 C ATOM 121 CG ASP A 953 -4.946 12.263 9.930 1.00 0.00 C ATOM 122 OD1 ASP A 953 -5.888 12.432 9.175 1.00 0.00 O ATOM 123 OD2 ASP A 953 -4.787 12.884 10.969 1.00 0.00 O ATOM 0 H ASP A 953 -5.633 9.529 10.057 1.00 0.00 H new ATOM 0 HA ASP A 953 -4.933 10.878 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.644 10.621 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -2.997 11.683 9.210 1.00 0.00 H new ATOM 128 N ASP A 954 -2.871 8.460 8.596 1.00 0.00 N ATOM 129 CA ASP A 954 -1.798 7.606 8.101 1.00 0.00 C ATOM 130 C ASP A 954 -2.276 6.774 6.918 1.00 0.00 C ATOM 131 O ASP A 954 -1.561 6.605 5.931 1.00 0.00 O ATOM 132 CB ASP A 954 -1.288 6.702 9.230 1.00 0.00 C ATOM 133 CG ASP A 954 -0.444 7.515 10.211 1.00 0.00 C ATOM 134 OD1 ASP A 954 0.087 8.535 9.804 1.00 0.00 O ATOM 135 OD2 ASP A 954 -0.346 7.109 11.359 1.00 0.00 O ATOM 0 H ASP A 954 -3.214 8.219 9.526 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.977 8.236 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.130 6.248 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.694 5.888 8.815 1.00 0.00 H new ATOM 140 N GLU A 955 -3.499 6.267 7.018 1.00 0.00 N ATOM 141 CA GLU A 955 -4.073 5.464 5.945 1.00 0.00 C ATOM 142 C GLU A 955 -4.245 6.296 4.679 1.00 0.00 C ATOM 143 O GLU A 955 -4.008 5.818 3.569 1.00 0.00 O ATOM 144 CB GLU A 955 -5.426 4.921 6.390 1.00 0.00 C ATOM 145 CG GLU A 955 -5.228 3.978 7.579 1.00 0.00 C ATOM 146 CD GLU A 955 -4.486 2.720 7.139 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.480 2.441 5.952 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.929 2.059 7.999 1.00 0.00 O ATOM 0 H GLU A 955 -4.109 6.396 7.825 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.396 4.638 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.086 5.742 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.906 4.391 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.666 4.484 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.195 3.708 8.003 1.00 0.00 H new ATOM 155 N TYR A 956 -4.646 7.551 4.850 1.00 0.00 N ATOM 156 CA TYR A 956 -4.834 8.436 3.707 1.00 0.00 C ATOM 157 C TYR A 956 -3.522 8.567 2.940 1.00 0.00 C ATOM 158 O TYR A 956 -3.495 8.491 1.711 1.00 0.00 O ATOM 159 CB TYR A 956 -5.299 9.814 4.186 1.00 0.00 C ATOM 160 CG TYR A 956 -5.345 10.768 3.015 1.00 0.00 C ATOM 161 CD1 TYR A 956 -6.478 10.805 2.190 1.00 0.00 C ATOM 162 CD2 TYR A 956 -4.260 11.605 2.751 1.00 0.00 C ATOM 163 CE1 TYR A 956 -6.517 11.682 1.100 1.00 0.00 C ATOM 164 CE2 TYR A 956 -4.300 12.481 1.657 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.428 12.515 0.832 1.00 0.00 C ATOM 166 OH TYR A 956 -5.471 13.373 -0.249 1.00 0.00 O ATOM 0 H TYR A 956 -4.845 7.974 5.757 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.594 8.016 3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.285 9.737 4.645 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.620 10.193 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.318 10.158 2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -3.389 11.578 3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -7.390 11.715 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -3.460 13.129 1.452 1.00 0.00 H new ATOM 0 HH TYR A 956 -4.636 13.883 -0.295 1.00 0.00 H new ATOM 176 N ASP A 957 -2.435 8.746 3.678 1.00 0.00 N ATOM 177 CA ASP A 957 -1.116 8.871 3.066 1.00 0.00 C ATOM 178 C ASP A 957 -0.729 7.581 2.347 1.00 0.00 C ATOM 179 O ASP A 957 -0.138 7.617 1.272 1.00 0.00 O ATOM 180 CB ASP A 957 -0.078 9.204 4.157 1.00 0.00 C ATOM 181 CG ASP A 957 -0.031 10.711 4.406 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.007 11.449 3.435 1.00 0.00 O ATOM 183 OD2 ASP A 957 -0.039 11.104 5.561 1.00 0.00 O ATOM 0 H ASP A 957 -2.438 8.808 4.696 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.142 9.674 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.332 8.684 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 957 0.906 8.849 3.852 1.00 0.00 H new ATOM 188 N GLU A 958 -1.061 6.447 2.949 1.00 0.00 N ATOM 189 CA GLU A 958 -0.729 5.153 2.356 1.00 0.00 C ATOM 190 C GLU A 958 -1.460 4.948 1.030 1.00 0.00 C ATOM 191 O GLU A 958 -0.867 4.487 0.054 1.00 0.00 O ATOM 192 CB GLU A 958 -1.087 4.033 3.335 1.00 0.00 C ATOM 193 CG GLU A 958 -0.114 4.067 4.514 1.00 0.00 C ATOM 194 CD GLU A 958 -0.580 3.109 5.605 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.631 2.514 5.433 1.00 0.00 O ATOM 196 OE2 GLU A 958 0.119 2.987 6.597 1.00 0.00 O ATOM 0 H GLU A 958 -1.555 6.393 3.840 1.00 0.00 H new ATOM 0 HA GLU A 958 0.342 5.131 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -2.111 4.156 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.037 3.066 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 958 0.886 3.790 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 958 -0.048 5.080 4.912 1.00 0.00 H new ATOM 203 N TRP A 959 -2.741 5.294 0.998 1.00 0.00 N ATOM 204 CA TRP A 959 -3.530 5.145 -0.220 1.00 0.00 C ATOM 205 C TRP A 959 -3.003 6.084 -1.308 1.00 0.00 C ATOM 206 O TRP A 959 -2.793 5.678 -2.448 1.00 0.00 O ATOM 207 CB TRP A 959 -5.002 5.422 0.099 1.00 0.00 C ATOM 208 CG TRP A 959 -5.803 5.592 -1.149 1.00 0.00 C ATOM 209 CD1 TRP A 959 -5.906 4.686 -2.149 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.628 6.719 -1.529 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.756 5.190 -3.116 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.229 6.442 -2.776 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.916 7.945 -0.910 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.089 7.353 -3.391 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.775 8.868 -1.522 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.364 8.572 -2.762 1.00 0.00 C ATOM 0 H TRP A 959 -3.253 5.676 1.793 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.444 4.126 -0.598 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.410 4.600 0.687 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.081 6.321 0.710 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.407 3.729 -2.186 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.003 4.698 -3.975 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.472 8.179 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.539 7.119 -4.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.985 9.810 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.028 9.284 -3.229 1.00 0.00 H new ATOM 227 N GLN A 960 -2.765 7.335 -0.954 1.00 0.00 N ATOM 228 CA GLN A 960 -2.241 8.284 -1.926 1.00 0.00 C ATOM 229 C GLN A 960 -0.848 7.856 -2.384 1.00 0.00 C ATOM 230 O GLN A 960 -0.479 8.024 -3.546 1.00 0.00 O ATOM 231 CB GLN A 960 -2.171 9.683 -1.313 1.00 0.00 C ATOM 232 CG GLN A 960 -3.584 10.223 -1.077 1.00 0.00 C ATOM 233 CD GLN A 960 -4.276 10.473 -2.414 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.844 11.331 -3.184 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.326 9.772 -2.741 1.00 0.00 N ATOM 0 H GLN A 960 -2.922 7.714 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.910 8.303 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.624 9.649 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.623 10.352 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.161 9.511 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.538 11.149 -0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.684 9.061 -2.103 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.790 9.935 -3.635 1.00 0.00 H new ATOM 244 N ASP A 961 -0.076 7.319 -1.450 1.00 0.00 N ATOM 245 CA ASP A 961 1.282 6.882 -1.750 1.00 0.00 C ATOM 246 C ASP A 961 1.272 5.674 -2.688 1.00 0.00 C ATOM 247 O ASP A 961 2.127 5.561 -3.568 1.00 0.00 O ATOM 248 CB ASP A 961 2.024 6.528 -0.449 1.00 0.00 C ATOM 249 CG ASP A 961 2.631 7.785 0.174 1.00 0.00 C ATOM 250 OD1 ASP A 961 3.214 8.567 -0.559 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.491 7.952 1.374 1.00 0.00 O ATOM 0 H ASP A 961 -0.364 7.175 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 961 1.801 7.701 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.335 6.061 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.809 5.801 -0.656 1.00 0.00 H new ATOM 256 N ILE A 962 0.305 4.776 -2.511 1.00 0.00 N ATOM 257 CA ILE A 962 0.242 3.603 -3.371 1.00 0.00 C ATOM 258 C ILE A 962 -0.073 4.083 -4.785 1.00 0.00 C ATOM 259 O ILE A 962 0.488 3.589 -5.766 1.00 0.00 O ATOM 260 CB ILE A 962 -0.802 2.586 -2.839 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.287 1.155 -3.068 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.153 2.753 -3.545 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.340 0.132 -2.630 1.00 0.00 C ATOM 0 H ILE A 962 -0.425 4.836 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 962 1.195 3.073 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.944 2.772 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.048 1.012 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.635 1.000 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.862 2.026 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.532 3.760 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.027 2.591 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -0.960 -0.876 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.558 0.265 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.252 0.278 -3.209 1.00 0.00 H new ATOM 275 N ILE A 963 -0.949 5.079 -4.871 1.00 0.00 N ATOM 276 CA ILE A 963 -1.305 5.653 -6.161 1.00 0.00 C ATOM 277 C ILE A 963 -0.060 6.231 -6.814 1.00 0.00 C ATOM 278 O ILE A 963 0.184 6.033 -8.003 1.00 0.00 O ATOM 279 CB ILE A 963 -2.342 6.765 -5.960 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.668 6.140 -5.546 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.525 7.575 -7.249 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.686 7.225 -5.139 1.00 0.00 C ATOM 0 H ILE A 963 -1.420 5.501 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 963 -1.727 4.878 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 963 -1.992 7.441 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.069 5.550 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.507 5.456 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.265 8.358 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -1.575 8.027 -7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -2.866 6.916 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.624 6.753 -4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.292 7.797 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -4.862 7.893 -5.982 1.00 0.00 H new ATOM 294 N ARG A 964 0.738 6.923 -6.018 1.00 0.00 N ATOM 295 CA ARG A 964 1.968 7.503 -6.524 1.00 0.00 C ATOM 296 C ARG A 964 2.837 6.394 -7.105 1.00 0.00 C ATOM 297 O ARG A 964 3.464 6.561 -8.150 1.00 0.00 O ATOM 298 CB ARG A 964 2.714 8.218 -5.394 1.00 0.00 C ATOM 299 CG ARG A 964 3.958 8.910 -5.955 1.00 0.00 C ATOM 300 CD ARG A 964 4.700 9.628 -4.828 1.00 0.00 C ATOM 301 NE ARG A 964 5.937 10.219 -5.338 1.00 0.00 N ATOM 302 CZ ARG A 964 7.084 9.539 -5.326 1.00 0.00 C ATOM 303 NH1 ARG A 964 7.107 8.300 -4.916 1.00 0.00 N ATOM 304 NH2 ARG A 964 8.186 10.106 -5.737 1.00 0.00 N ATOM 0 H ARG A 964 0.558 7.095 -5.029 1.00 0.00 H new ATOM 0 HA ARG A 964 1.737 8.231 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 964 2.061 8.951 -4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 964 3.000 7.502 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.613 8.177 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.672 9.624 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 964 4.065 10.405 -4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 964 4.927 8.926 -4.026 1.00 0.00 H new ATOM 0 HE ARG A 964 5.922 11.169 -5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 964 6.246 7.850 -4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 964 7.986 7.782 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 964 8.170 11.071 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 964 9.062 9.584 -5.727 1.00 0.00 H new ATOM 318 N ASP A 965 2.867 5.253 -6.416 1.00 0.00 N ATOM 319 CA ASP A 965 3.663 4.124 -6.882 1.00 0.00 C ATOM 320 C ASP A 965 3.173 3.657 -8.256 1.00 0.00 C ATOM 321 O ASP A 965 3.974 3.401 -9.154 1.00 0.00 O ATOM 322 CB ASP A 965 3.574 2.961 -5.893 1.00 0.00 C ATOM 323 CG ASP A 965 4.666 1.938 -6.190 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.828 2.281 -6.052 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.320 0.825 -6.551 1.00 0.00 O ATOM 0 H ASP A 965 2.357 5.090 -5.548 1.00 0.00 H new ATOM 0 HA ASP A 965 4.700 4.451 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.679 3.331 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.594 2.489 -5.961 1.00 0.00 H new ATOM 330 N TRP A 966 1.850 3.550 -8.414 1.00 0.00 N ATOM 331 CA TRP A 966 1.274 3.117 -9.692 1.00 0.00 C ATOM 332 C TRP A 966 1.111 4.305 -10.639 1.00 0.00 C ATOM 333 O TRP A 966 0.708 4.146 -11.792 1.00 0.00 O ATOM 334 CB TRP A 966 -0.112 2.494 -9.480 1.00 0.00 C ATOM 335 CG TRP A 966 -0.164 1.645 -8.251 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.093 1.790 -7.281 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.687 0.534 -7.843 1.00 0.00 C ATOM 338 NE1 TRP A 966 -0.876 0.843 -6.308 1.00 0.00 N ATOM 339 CE2 TRP A 966 0.212 0.046 -6.598 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.808 -0.097 -8.415 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.826 -1.025 -5.950 1.00 0.00 C ATOM 342 CZ3 TRP A 966 2.427 -1.178 -7.762 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.938 -1.637 -6.531 1.00 0.00 C ATOM 0 H TRP A 966 1.166 3.754 -7.685 1.00 0.00 H new ATOM 0 HA TRP A 966 1.955 2.382 -10.121 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -0.857 3.286 -9.405 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.374 1.890 -10.349 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.879 2.530 -7.271 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.451 0.742 -5.472 1.00 0.00 H new ATOM 0 HE3 TRP A 966 2.195 0.251 -9.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 0.444 -1.379 -5.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 3.284 -1.657 -8.212 1.00 0.00 H new ATOM 0 HH2 TRP A 966 2.421 -2.464 -6.032 1.00 0.00 H new ATOM 354 N ARG A 967 1.405 5.492 -10.137 1.00 0.00 N ATOM 355 CA ARG A 967 1.265 6.707 -10.930 1.00 0.00 C ATOM 356 C ARG A 967 -0.119 6.799 -11.584 1.00 0.00 C ATOM 357 O ARG A 967 -0.323 7.609 -12.490 1.00 0.00 O ATOM 358 CB ARG A 967 2.348 6.783 -12.010 1.00 0.00 C ATOM 359 CG ARG A 967 3.695 7.118 -11.364 1.00 0.00 C ATOM 360 CD ARG A 967 4.773 7.216 -12.444 1.00 0.00 C ATOM 361 NE ARG A 967 6.049 7.591 -11.850 1.00 0.00 N ATOM 362 CZ ARG A 967 6.281 8.843 -11.466 1.00 0.00 C ATOM 363 NH1 ARG A 967 5.360 9.753 -11.635 1.00 0.00 N ATOM 364 NH2 ARG A 967 7.423 9.157 -10.920 1.00 0.00 N ATOM 0 H ARG A 967 1.742 5.643 -9.186 1.00 0.00 H new ATOM 0 HA ARG A 967 1.380 7.548 -10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.414 5.833 -12.541 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.088 7.543 -12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 967 3.624 8.060 -10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.962 6.350 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.870 6.260 -12.958 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.482 7.953 -13.193 1.00 0.00 H new ATOM 0 HE ARG A 967 6.774 6.884 -11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 967 4.467 9.502 -12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 967 5.533 10.715 -11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.139 8.442 -10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 967 7.601 10.117 -10.626 1.00 0.00 H new ATOM 378 N LYS A 968 -1.075 5.992 -11.107 1.00 0.00 N ATOM 379 CA LYS A 968 -2.444 6.026 -11.650 1.00 0.00 C ATOM 380 C LYS A 968 -3.456 6.015 -10.508 1.00 0.00 C ATOM 381 O LYS A 968 -3.316 5.255 -9.551 1.00 0.00 O ATOM 382 CB LYS A 968 -2.688 4.838 -12.609 1.00 0.00 C ATOM 383 CG LYS A 968 -2.984 3.535 -11.841 1.00 0.00 C ATOM 384 CD LYS A 968 -3.218 2.387 -12.837 1.00 0.00 C ATOM 385 CE LYS A 968 -1.883 1.916 -13.432 1.00 0.00 C ATOM 386 NZ LYS A 968 -2.061 0.574 -14.055 1.00 0.00 N ATOM 0 H LYS A 968 -0.932 5.316 -10.357 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.569 6.945 -12.222 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.524 5.069 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.812 4.696 -13.242 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.150 3.293 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.863 3.666 -11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -3.713 1.556 -12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -3.883 2.719 -13.635 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -1.533 2.631 -14.177 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -1.122 1.869 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -1.157 0.256 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -2.377 -0.105 -13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -2.774 0.633 -14.810 1.00 0.00 H new ATOM 400 N GLU A 969 -4.467 6.867 -10.619 1.00 0.00 N ATOM 401 CA GLU A 969 -5.491 6.971 -9.586 1.00 0.00 C ATOM 402 C GLU A 969 -6.262 5.666 -9.411 1.00 0.00 C ATOM 403 O GLU A 969 -6.792 5.106 -10.370 1.00 0.00 O ATOM 404 CB GLU A 969 -6.461 8.097 -9.950 1.00 0.00 C ATOM 405 CG GLU A 969 -7.461 8.319 -8.813 1.00 0.00 C ATOM 406 CD GLU A 969 -8.385 9.479 -9.167 1.00 0.00 C ATOM 407 OE1 GLU A 969 -9.280 9.273 -9.971 1.00 0.00 O ATOM 408 OE2 GLU A 969 -8.188 10.555 -8.626 1.00 0.00 O ATOM 0 H GLU A 969 -4.600 7.495 -11.412 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.994 7.188 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.907 9.016 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.992 7.847 -10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -8.044 7.414 -8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -6.931 8.533 -7.885 1.00 0.00 H new ATOM 415 N MET A 970 -6.334 5.204 -8.161 1.00 0.00 N ATOM 416 CA MET A 970 -7.054 3.975 -7.814 1.00 0.00 C ATOM 417 C MET A 970 -8.068 4.284 -6.719 1.00 0.00 C ATOM 418 O MET A 970 -7.963 5.314 -6.050 1.00 0.00 O ATOM 419 CB MET A 970 -6.067 2.895 -7.331 1.00 0.00 C ATOM 420 CG MET A 970 -5.482 3.261 -5.940 1.00 0.00 C ATOM 421 SD MET A 970 -6.159 2.166 -4.657 1.00 0.00 S ATOM 422 CE MET A 970 -5.210 0.674 -5.060 1.00 0.00 C ATOM 0 H MET A 970 -5.898 5.668 -7.364 1.00 0.00 H new ATOM 0 HA MET A 970 -7.571 3.598 -8.696 1.00 0.00 H new ATOM 0 HB2 MET A 970 -6.575 1.932 -7.275 1.00 0.00 H new ATOM 0 HB3 MET A 970 -5.258 2.787 -8.053 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.395 3.177 -5.962 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.716 4.299 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 970 -5.893 -0.161 -5.213 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.635 0.844 -5.970 1.00 0.00 H new ATOM 0 HE3 MET A 970 -4.531 0.442 -4.240 1.00 0.00 H new ATOM 432 N THR A 971 -9.050 3.413 -6.529 1.00 0.00 N ATOM 433 CA THR A 971 -10.061 3.657 -5.504 1.00 0.00 C ATOM 434 C THR A 971 -9.605 3.145 -4.146 1.00 0.00 C ATOM 435 O THR A 971 -8.801 2.216 -4.052 1.00 0.00 O ATOM 436 CB THR A 971 -11.364 2.954 -5.883 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.088 1.599 -6.205 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.983 3.647 -7.098 1.00 0.00 C ATOM 0 H THR A 971 -9.169 2.549 -7.057 1.00 0.00 H new ATOM 0 HA THR A 971 -10.217 4.734 -5.440 1.00 0.00 H new ATOM 0 HB THR A 971 -12.060 2.999 -5.045 1.00 0.00 H new ATOM 0 HG1 THR A 971 -10.803 1.537 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.912 3.146 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.190 4.689 -6.856 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.288 3.600 -7.937 1.00 0.00 H new ATOM 446 N VAL A 972 -10.159 3.740 -3.100 1.00 0.00 N ATOM 447 CA VAL A 972 -9.858 3.340 -1.737 1.00 0.00 C ATOM 448 C VAL A 972 -10.393 1.934 -1.492 1.00 0.00 C ATOM 449 O VAL A 972 -9.734 1.102 -0.871 1.00 0.00 O ATOM 450 CB VAL A 972 -10.505 4.334 -0.759 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.560 3.739 0.665 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.680 5.627 -0.747 1.00 0.00 C ATOM 0 H VAL A 972 -10.825 4.509 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.779 3.340 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.524 4.543 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.021 4.458 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.149 2.822 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.549 3.517 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.130 6.340 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.662 5.406 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.661 6.056 -1.749 1.00 0.00 H new ATOM 462 N GLN A 973 -11.593 1.674 -1.984 1.00 0.00 N ATOM 463 CA GLN A 973 -12.202 0.371 -1.810 1.00 0.00 C ATOM 464 C GLN A 973 -11.250 -0.724 -2.272 1.00 0.00 C ATOM 465 O GLN A 973 -11.020 -1.701 -1.559 1.00 0.00 O ATOM 466 CB GLN A 973 -13.483 0.306 -2.631 1.00 0.00 C ATOM 467 CG GLN A 973 -14.550 1.193 -1.991 1.00 0.00 C ATOM 468 CD GLN A 973 -15.804 1.220 -2.859 1.00 0.00 C ATOM 469 OE1 GLN A 973 -15.874 0.534 -3.880 1.00 0.00 O ATOM 470 NE2 GLN A 973 -16.805 1.976 -2.504 1.00 0.00 N ATOM 0 H GLN A 973 -12.160 2.345 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.426 0.220 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.289 0.633 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.838 -0.723 -2.688 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -14.795 0.819 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.164 2.205 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -16.742 2.542 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -17.652 2.002 -3.072 1.00 0.00 H new ATOM 479 N GLN A 974 -10.693 -0.546 -3.462 1.00 0.00 N ATOM 480 CA GLN A 974 -9.752 -1.513 -4.020 1.00 0.00 C ATOM 481 C GLN A 974 -8.570 -1.709 -3.065 1.00 0.00 C ATOM 482 O GLN A 974 -8.126 -2.835 -2.841 1.00 0.00 O ATOM 483 CB GLN A 974 -9.256 -0.996 -5.380 1.00 0.00 C ATOM 484 CG GLN A 974 -10.218 -1.414 -6.504 1.00 0.00 C ATOM 485 CD GLN A 974 -11.668 -1.102 -6.128 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.173 -1.591 -5.118 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.373 -0.307 -6.885 1.00 0.00 N ATOM 0 H GLN A 974 -10.875 0.259 -4.061 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.248 -2.474 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.171 0.090 -5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.260 -1.389 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.957 -0.892 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.111 -2.481 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.958 0.100 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.339 -0.093 -6.639 1.00 0.00 H new ATOM 496 N PHE A 975 -8.068 -0.612 -2.502 1.00 0.00 N ATOM 497 CA PHE A 975 -6.941 -0.691 -1.576 1.00 0.00 C ATOM 498 C PHE A 975 -7.309 -1.556 -0.367 1.00 0.00 C ATOM 499 O PHE A 975 -6.544 -2.435 0.033 1.00 0.00 O ATOM 500 CB PHE A 975 -6.537 0.726 -1.153 1.00 0.00 C ATOM 501 CG PHE A 975 -5.545 0.683 -0.012 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.258 0.178 -0.212 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.913 1.177 1.247 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.343 0.160 0.848 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.998 1.155 2.307 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.712 0.645 2.106 1.00 0.00 C ATOM 0 H PHE A 975 -8.419 0.331 -2.668 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.089 -1.162 -2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.100 1.253 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.422 1.286 -0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.969 -0.198 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.905 1.576 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.348 -0.230 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.285 1.531 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.004 0.626 2.922 1.00 0.00 H new ATOM 516 N LEU A 976 -8.498 -1.334 0.188 1.00 0.00 N ATOM 517 CA LEU A 976 -8.964 -2.131 1.326 1.00 0.00 C ATOM 518 C LEU A 976 -9.085 -3.604 0.927 1.00 0.00 C ATOM 519 O LEU A 976 -8.759 -4.498 1.705 1.00 0.00 O ATOM 520 CB LEU A 976 -10.334 -1.611 1.813 1.00 0.00 C ATOM 521 CG LEU A 976 -10.181 -0.550 2.911 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.220 0.551 2.467 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.559 0.049 3.209 1.00 0.00 C ATOM 0 H LEU A 976 -9.152 -0.617 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.238 -2.040 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.882 -1.187 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -10.926 -2.444 2.192 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.772 -1.015 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -9.126 1.293 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.242 0.118 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.606 1.029 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.466 0.805 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -11.960 0.507 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -12.233 -0.739 3.546 1.00 0.00 H new ATOM 535 N ASP A 977 -9.571 -3.855 -0.273 1.00 0.00 N ATOM 536 CA ASP A 977 -9.729 -5.225 -0.735 1.00 0.00 C ATOM 537 C ASP A 977 -8.365 -5.906 -0.869 1.00 0.00 C ATOM 538 O ASP A 977 -8.196 -7.074 -0.503 1.00 0.00 O ATOM 539 CB ASP A 977 -10.441 -5.226 -2.088 1.00 0.00 C ATOM 540 CG ASP A 977 -10.881 -6.639 -2.452 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.355 -7.572 -1.865 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.733 -6.770 -3.315 1.00 0.00 O ATOM 0 H ASP A 977 -9.861 -3.140 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.323 -5.777 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.308 -4.566 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.775 -4.835 -2.858 1.00 0.00 H new ATOM 547 N LEU A 978 -7.395 -5.165 -1.405 1.00 0.00 N ATOM 548 CA LEU A 978 -6.053 -5.700 -1.607 1.00 0.00 C ATOM 549 C LEU A 978 -5.367 -6.033 -0.285 1.00 0.00 C ATOM 550 O LEU A 978 -4.822 -7.124 -0.123 1.00 0.00 O ATOM 551 CB LEU A 978 -5.219 -4.681 -2.392 1.00 0.00 C ATOM 552 CG LEU A 978 -3.764 -5.150 -2.533 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.708 -6.539 -3.173 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.008 -4.154 -3.415 1.00 0.00 C ATOM 0 H LEU A 978 -7.515 -4.198 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.137 -6.630 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.654 -4.534 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.246 -3.716 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.307 -5.203 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.669 -6.856 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.250 -7.249 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.165 -6.503 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.972 -4.476 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.478 -4.108 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.034 -3.167 -2.954 1.00 0.00 H new ATOM 566 N LYS A 979 -5.397 -5.095 0.655 1.00 0.00 N ATOM 567 CA LYS A 979 -4.765 -5.315 1.944 1.00 0.00 C ATOM 568 C LYS A 979 -5.524 -6.395 2.704 1.00 0.00 C ATOM 569 O LYS A 979 -4.930 -7.271 3.316 1.00 0.00 O ATOM 570 CB LYS A 979 -4.727 -3.989 2.729 1.00 0.00 C ATOM 571 CG LYS A 979 -6.064 -3.733 3.424 1.00 0.00 C ATOM 572 CD LYS A 979 -6.076 -2.330 4.029 1.00 0.00 C ATOM 573 CE LYS A 979 -7.324 -2.177 4.906 1.00 0.00 C ATOM 574 NZ LYS A 979 -7.563 -0.737 5.205 1.00 0.00 N ATOM 0 H LYS A 979 -5.847 -4.186 0.548 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.739 -5.657 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -3.927 -4.022 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.501 -3.166 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.881 -3.837 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.226 -4.476 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.176 -2.168 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.076 -1.579 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -8.190 -2.600 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.197 -2.733 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -8.539 -0.610 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -6.899 -0.420 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.419 -0.175 4.342 1.00 0.00 H new ATOM 588 N GLU A 980 -6.844 -6.329 2.656 1.00 0.00 N ATOM 589 CA GLU A 980 -7.647 -7.313 3.354 1.00 0.00 C ATOM 590 C GLU A 980 -7.200 -8.718 2.967 1.00 0.00 C ATOM 591 O GLU A 980 -6.900 -9.540 3.836 1.00 0.00 O ATOM 592 CB GLU A 980 -9.127 -7.119 3.012 1.00 0.00 C ATOM 593 CG GLU A 980 -9.976 -8.153 3.755 1.00 0.00 C ATOM 594 CD GLU A 980 -11.454 -7.898 3.483 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.955 -8.427 2.505 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.063 -7.172 4.252 1.00 0.00 O ATOM 0 H GLU A 980 -7.372 -5.618 2.151 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.514 -7.183 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.443 -6.112 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.276 -7.219 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.706 -9.159 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.779 -8.098 4.826 1.00 0.00 H new ATOM 603 N ARG A 981 -7.138 -8.988 1.663 1.00 0.00 N ATOM 604 CA ARG A 981 -6.714 -10.303 1.197 1.00 0.00 C ATOM 605 C ARG A 981 -5.257 -10.588 1.564 1.00 0.00 C ATOM 606 O ARG A 981 -4.940 -11.685 2.024 1.00 0.00 O ATOM 607 CB ARG A 981 -6.889 -10.409 -0.319 1.00 0.00 C ATOM 608 CG ARG A 981 -8.382 -10.482 -0.649 1.00 0.00 C ATOM 609 CD ARG A 981 -8.582 -10.583 -2.162 1.00 0.00 C ATOM 610 NE ARG A 981 -10.003 -10.712 -2.462 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.453 -10.791 -3.709 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.628 -10.682 -4.714 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.731 -10.951 -3.922 1.00 0.00 N ATOM 0 H ARG A 981 -7.372 -8.325 0.924 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.342 -11.044 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.437 -9.547 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.377 -11.295 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.829 -11.346 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.891 -9.598 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.176 -9.698 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.038 -11.442 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.671 -10.742 -1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.633 -10.536 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -9.978 -10.743 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.375 -11.014 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -12.085 -11.013 -4.877 1.00 0.00 H new ATOM 627 N ALA A 982 -4.374 -9.612 1.355 1.00 0.00 N ATOM 628 CA ALA A 982 -2.957 -9.809 1.658 1.00 0.00 C ATOM 629 C ALA A 982 -2.748 -10.101 3.144 1.00 0.00 C ATOM 630 O ALA A 982 -2.084 -11.072 3.506 1.00 0.00 O ATOM 631 CB ALA A 982 -2.151 -8.560 1.236 1.00 0.00 C ATOM 0 H ALA A 982 -4.609 -8.692 0.983 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.601 -10.671 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.096 -8.713 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.270 -8.395 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.517 -7.690 1.780 1.00 0.00 H new ATOM 637 N LEU A 983 -3.320 -9.253 3.986 1.00 0.00 N ATOM 638 CA LEU A 983 -3.204 -9.411 5.428 1.00 0.00 C ATOM 639 C LEU A 983 -3.909 -10.686 5.882 1.00 0.00 C ATOM 640 O LEU A 983 -3.577 -11.249 6.926 1.00 0.00 O ATOM 641 CB LEU A 983 -3.805 -8.182 6.130 1.00 0.00 C ATOM 642 CG LEU A 983 -2.781 -7.030 6.185 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.087 -6.832 4.828 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.500 -5.734 6.584 1.00 0.00 C ATOM 0 H LEU A 983 -3.871 -8.446 3.694 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.151 -9.493 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.699 -7.855 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.114 -8.449 7.141 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.019 -7.283 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.372 -6.013 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.564 -7.747 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -2.833 -6.596 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.780 -4.916 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.270 -5.504 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.961 -5.860 7.564 1.00 0.00 H new ATOM 656 N SER A 984 -4.882 -11.131 5.095 1.00 0.00 N ATOM 657 CA SER A 984 -5.629 -12.337 5.424 1.00 0.00 C ATOM 658 C SER A 984 -4.821 -13.586 5.076 1.00 0.00 C ATOM 659 O SER A 984 -5.300 -14.710 5.233 1.00 0.00 O ATOM 660 CB SER A 984 -6.948 -12.345 4.652 1.00 0.00 C ATOM 661 OG SER A 984 -7.600 -13.594 4.837 1.00 0.00 O ATOM 0 H SER A 984 -5.170 -10.676 4.229 1.00 0.00 H new ATOM 0 HA SER A 984 -5.829 -12.343 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.589 -11.534 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.762 -12.174 3.592 1.00 0.00 H new ATOM 0 HG SER A 984 -6.944 -14.319 4.766 1.00 0.00 H new ATOM 667 N GLY A 985 -3.585 -13.382 4.620 1.00 0.00 N ATOM 668 CA GLY A 985 -2.709 -14.499 4.274 1.00 0.00 C ATOM 669 C GLY A 985 -2.913 -14.956 2.835 1.00 0.00 C ATOM 670 O GLY A 985 -2.705 -16.127 2.517 1.00 0.00 O ATOM 0 H GLY A 985 -3.171 -12.460 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.670 -14.203 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.899 -15.333 4.950 1.00 0.00 H new ATOM 674 N ALA A 986 -3.322 -14.040 1.964 1.00 0.00 N ATOM 675 CA ALA A 986 -3.544 -14.387 0.565 1.00 0.00 C ATOM 676 C ALA A 986 -2.225 -14.701 -0.120 1.00 0.00 C ATOM 677 O ALA A 986 -1.196 -14.093 0.181 1.00 0.00 O ATOM 678 CB ALA A 986 -4.208 -13.230 -0.166 1.00 0.00 C ATOM 0 H ALA A 986 -3.505 -13.064 2.197 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.191 -15.264 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.368 -13.503 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.167 -13.006 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.566 -12.351 -0.115 1.00 0.00 H new ATOM 684 N SER A 987 -2.257 -15.642 -1.058 1.00 0.00 N ATOM 685 CA SER A 987 -1.053 -16.016 -1.794 1.00 0.00 C ATOM 686 C SER A 987 -1.013 -15.333 -3.156 1.00 0.00 C ATOM 687 O SER A 987 -0.001 -15.389 -3.855 1.00 0.00 O ATOM 688 CB SER A 987 -1.003 -17.532 -1.988 1.00 0.00 C ATOM 689 OG SER A 987 -1.013 -18.170 -0.717 1.00 0.00 O ATOM 0 H SER A 987 -3.096 -16.156 -1.326 1.00 0.00 H new ATOM 0 HA SER A 987 -0.190 -15.692 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 987 -1.856 -17.863 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.105 -17.810 -2.540 1.00 0.00 H new ATOM 0 HG SER A 987 -0.983 -19.142 -0.839 1.00 0.00 H new ATOM 695 N ASP A 988 -2.114 -14.688 -3.532 1.00 0.00 N ATOM 696 CA ASP A 988 -2.174 -13.999 -4.820 1.00 0.00 C ATOM 697 C ASP A 988 -0.875 -13.219 -5.052 1.00 0.00 C ATOM 698 O ASP A 988 -0.258 -12.755 -4.095 1.00 0.00 O ATOM 699 CB ASP A 988 -3.365 -13.037 -4.846 1.00 0.00 C ATOM 700 CG ASP A 988 -4.671 -13.823 -4.891 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.608 -15.032 -5.035 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.718 -13.202 -4.792 1.00 0.00 O ATOM 0 H ASP A 988 -2.965 -14.627 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.297 -14.738 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.346 -12.398 -3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.295 -12.382 -5.715 1.00 0.00 H new ATOM 707 N PRO A 989 -0.440 -13.058 -6.280 1.00 0.00 N ATOM 708 CA PRO A 989 0.824 -12.319 -6.580 1.00 0.00 C ATOM 709 C PRO A 989 0.751 -10.867 -6.108 1.00 0.00 C ATOM 710 O PRO A 989 1.761 -10.270 -5.724 1.00 0.00 O ATOM 711 CB PRO A 989 0.954 -12.411 -8.113 1.00 0.00 C ATOM 712 CG PRO A 989 -0.426 -12.717 -8.607 1.00 0.00 C ATOM 713 CD PRO A 989 -1.087 -13.549 -7.509 1.00 0.00 C ATOM 0 HA PRO A 989 1.686 -12.741 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.324 -11.476 -8.533 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.658 -13.191 -8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -0.986 -11.801 -8.794 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.392 -13.267 -9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.166 -13.398 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.918 -14.616 -7.655 1.00 0.00 H new ATOM 721 N ASP A 990 -0.450 -10.309 -6.142 1.00 0.00 N ATOM 722 CA ASP A 990 -0.654 -8.931 -5.716 1.00 0.00 C ATOM 723 C ASP A 990 -0.514 -8.810 -4.201 1.00 0.00 C ATOM 724 O ASP A 990 -0.157 -7.756 -3.684 1.00 0.00 O ATOM 725 CB ASP A 990 -2.044 -8.451 -6.136 1.00 0.00 C ATOM 726 CG ASP A 990 -2.113 -8.335 -7.655 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.059 -8.312 -8.271 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.211 -8.271 -8.181 1.00 0.00 O ATOM 0 H ASP A 990 -1.295 -10.786 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 990 0.105 -8.311 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.802 -9.148 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.259 -7.485 -5.678 1.00 0.00 H new ATOM 733 N SER A 991 -0.807 -9.896 -3.491 1.00 0.00 N ATOM 734 CA SER A 991 -0.715 -9.895 -2.034 1.00 0.00 C ATOM 735 C SER A 991 0.731 -9.901 -1.567 1.00 0.00 C ATOM 736 O SER A 991 1.135 -9.067 -0.756 1.00 0.00 O ATOM 737 CB SER A 991 -1.429 -11.121 -1.473 1.00 0.00 C ATOM 738 OG SER A 991 -0.898 -11.434 -0.193 1.00 0.00 O ATOM 0 H SER A 991 -1.108 -10.782 -3.897 1.00 0.00 H new ATOM 0 HA SER A 991 -1.189 -8.984 -1.670 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.499 -10.929 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.304 -11.968 -2.147 1.00 0.00 H new ATOM 0 HG SER A 991 -0.963 -12.400 -0.039 1.00 0.00 H new ATOM 744 N GLN A 992 1.505 -10.851 -2.070 1.00 0.00 N ATOM 745 CA GLN A 992 2.900 -10.942 -1.676 1.00 0.00 C ATOM 746 C GLN A 992 3.624 -9.685 -2.147 1.00 0.00 C ATOM 747 O GLN A 992 4.477 -9.138 -1.447 1.00 0.00 O ATOM 748 CB GLN A 992 3.538 -12.217 -2.256 1.00 0.00 C ATOM 749 CG GLN A 992 2.812 -12.633 -3.543 1.00 0.00 C ATOM 750 CD GLN A 992 3.708 -13.546 -4.374 1.00 0.00 C ATOM 751 OE1 GLN A 992 3.272 -14.605 -4.829 1.00 0.00 O ATOM 752 NE2 GLN A 992 4.945 -13.196 -4.594 1.00 0.00 N ATOM 0 H GLN A 992 1.197 -11.557 -2.739 1.00 0.00 H new ATOM 0 HA GLN A 992 2.981 -11.008 -0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.593 -12.042 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.488 -13.023 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.883 -13.147 -3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.543 -11.749 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 992 5.302 -12.319 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 992 5.556 -13.800 -5.145 1.00 0.00 H new ATOM 761 N ARG A 993 3.245 -9.211 -3.329 1.00 0.00 N ATOM 762 CA ARG A 993 3.824 -7.991 -3.872 1.00 0.00 C ATOM 763 C ARG A 993 3.424 -6.802 -3.002 1.00 0.00 C ATOM 764 O ARG A 993 4.225 -5.910 -2.746 1.00 0.00 O ATOM 765 CB ARG A 993 3.349 -7.787 -5.315 1.00 0.00 C ATOM 766 CG ARG A 993 4.038 -8.808 -6.241 1.00 0.00 C ATOM 767 CD ARG A 993 5.366 -8.239 -6.757 1.00 0.00 C ATOM 768 NE ARG A 993 5.102 -7.104 -7.633 1.00 0.00 N ATOM 769 CZ ARG A 993 6.085 -6.328 -8.074 1.00 0.00 C ATOM 770 NH1 ARG A 993 7.321 -6.578 -7.737 1.00 0.00 N ATOM 771 NH2 ARG A 993 5.816 -5.312 -8.849 1.00 0.00 N ATOM 0 H ARG A 993 2.544 -9.651 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 993 4.911 -8.074 -3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.267 -7.904 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.578 -6.773 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.217 -9.738 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.385 -9.048 -7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.990 -7.928 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 993 5.918 -9.008 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 993 4.142 -6.902 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 993 7.534 -7.372 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 993 8.074 -5.980 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 993 4.851 -5.115 -9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 993 6.571 -4.715 -9.188 1.00 0.00 H new ATOM 785 N TYR A 994 2.179 -6.807 -2.536 1.00 0.00 N ATOM 786 CA TYR A 994 1.696 -5.732 -1.674 1.00 0.00 C ATOM 787 C TYR A 994 2.508 -5.700 -0.381 1.00 0.00 C ATOM 788 O TYR A 994 2.959 -4.644 0.064 1.00 0.00 O ATOM 789 CB TYR A 994 0.218 -5.941 -1.352 1.00 0.00 C ATOM 790 CG TYR A 994 -0.236 -4.855 -0.406 1.00 0.00 C ATOM 791 CD1 TYR A 994 -0.316 -3.537 -0.860 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.572 -5.163 0.923 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.731 -2.522 0.007 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.986 -4.146 1.790 1.00 0.00 C ATOM 795 CZ TYR A 994 -1.066 -2.824 1.333 1.00 0.00 C ATOM 796 OH TYR A 994 -1.478 -1.821 2.186 1.00 0.00 O ATOM 0 H TYR A 994 1.493 -7.534 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 994 1.814 -4.782 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.374 -5.916 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.066 -6.922 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 994 -0.057 -3.302 -1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.511 -6.182 1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.793 -1.503 -0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.244 -4.380 2.812 1.00 0.00 H new ATOM 0 HH TYR A 994 -2.319 -1.439 1.860 1.00 0.00 H new ATOM 806 N ASN A 995 2.705 -6.871 0.211 1.00 0.00 N ATOM 807 CA ASN A 995 3.480 -6.963 1.440 1.00 0.00 C ATOM 808 C ASN A 995 4.881 -6.423 1.164 1.00 0.00 C ATOM 809 O ASN A 995 5.468 -5.711 1.983 1.00 0.00 O ATOM 810 CB ASN A 995 3.568 -8.417 1.901 1.00 0.00 C ATOM 811 CG ASN A 995 2.192 -8.927 2.309 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.328 -8.144 2.708 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.924 -10.201 2.221 1.00 0.00 N ATOM 0 H ASN A 995 2.344 -7.760 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 995 2.998 -6.382 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.970 -9.036 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.257 -8.498 2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.001 -10.547 2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.638 -10.851 1.891 1.00 0.00 H new ATOM 820 N ALA A 996 5.407 -6.744 -0.015 1.00 0.00 N ATOM 821 CA ALA A 996 6.724 -6.253 -0.396 1.00 0.00 C ATOM 822 C ALA A 996 6.682 -4.739 -0.518 1.00 0.00 C ATOM 823 O ALA A 996 7.590 -4.050 -0.087 1.00 0.00 O ATOM 824 CB ALA A 996 7.158 -6.837 -1.732 1.00 0.00 C ATOM 0 H ALA A 996 4.949 -7.332 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 996 7.436 -6.556 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.145 -6.454 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.198 -7.924 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.442 -6.552 -2.503 1.00 0.00 H new ATOM 830 N TRP A 997 5.619 -4.221 -1.111 1.00 0.00 N ATOM 831 CA TRP A 997 5.501 -2.783 -1.271 1.00 0.00 C ATOM 832 C TRP A 997 5.633 -2.117 0.090 1.00 0.00 C ATOM 833 O TRP A 997 6.285 -1.082 0.221 1.00 0.00 O ATOM 834 CB TRP A 997 4.174 -2.417 -1.944 1.00 0.00 C ATOM 835 CG TRP A 997 3.969 -0.934 -1.901 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.621 -0.038 -2.677 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.065 -0.165 -1.058 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.177 1.233 -2.360 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.217 1.208 -1.368 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.138 -0.519 -0.061 1.00 0.00 C ATOM 841 CZ2 TRP A 997 2.470 2.192 -0.715 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.384 0.468 0.597 1.00 0.00 C ATOM 843 CH2 TRP A 997 1.554 1.821 0.274 1.00 0.00 C ATOM 0 H TRP A 997 4.839 -4.763 -1.483 1.00 0.00 H new ATOM 0 HA TRP A 997 6.300 -2.424 -1.919 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.174 -2.762 -2.978 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.350 -2.921 -1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.366 -0.276 -3.422 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.517 2.085 -2.805 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.004 -1.558 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 2.599 3.233 -0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 0.670 0.182 1.355 1.00 0.00 H new ATOM 0 HH2 TRP A 997 0.978 2.576 0.788 1.00 0.00 H new ATOM 854 N LEU A 998 5.042 -2.736 1.107 1.00 0.00 N ATOM 855 CA LEU A 998 5.151 -2.201 2.457 1.00 0.00 C ATOM 856 C LEU A 998 6.614 -2.260 2.884 1.00 0.00 C ATOM 857 O LEU A 998 7.126 -1.354 3.540 1.00 0.00 O ATOM 858 CB LEU A 998 4.301 -3.016 3.438 1.00 0.00 C ATOM 859 CG LEU A 998 2.801 -2.818 3.151 1.00 0.00 C ATOM 860 CD1 LEU A 998 1.993 -3.822 3.981 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.372 -1.384 3.517 1.00 0.00 C ATOM 0 H LEU A 998 4.493 -3.592 1.025 1.00 0.00 H new ATOM 0 HA LEU A 998 4.789 -1.173 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.556 -4.073 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.524 -2.712 4.461 1.00 0.00 H new ATOM 0 HG LEU A 998 2.616 -2.980 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.930 -3.687 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.286 -4.837 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.187 -3.658 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.309 -1.258 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 998 2.558 -1.208 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 998 2.945 -0.670 2.925 1.00 0.00 H new ATOM 873 N GLU A 999 7.281 -3.349 2.500 1.00 0.00 N ATOM 874 CA GLU A 999 8.689 -3.537 2.837 1.00 0.00 C ATOM 875 C GLU A 999 9.550 -2.478 2.141 1.00 0.00 C ATOM 876 O GLU A 999 10.428 -1.869 2.759 1.00 0.00 O ATOM 877 CB GLU A 999 9.123 -4.953 2.418 1.00 0.00 C ATOM 878 CG GLU A 999 10.590 -5.182 2.788 1.00 0.00 C ATOM 879 CD GLU A 999 11.005 -6.600 2.411 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.243 -7.251 1.714 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.077 -7.014 2.822 1.00 0.00 O ATOM 0 H GLU A 999 6.870 -4.109 1.958 1.00 0.00 H new ATOM 0 HA GLU A 999 8.824 -3.425 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.495 -5.695 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 999 8.986 -5.081 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.222 -4.459 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 999 10.734 -5.024 3.857 1.00 0.00 H new ATOM 888 N LEU A1000 9.273 -2.234 0.861 1.00 0.00 N ATOM 889 CA LEU A1000 10.017 -1.221 0.121 1.00 0.00 C ATOM 890 C LEU A1000 9.790 0.124 0.789 1.00 0.00 C ATOM 891 O LEU A1000 10.708 0.904 0.994 1.00 0.00 O ATOM 892 CB LEU A1000 9.515 -1.134 -1.327 1.00 0.00 C ATOM 893 CG LEU A1000 9.713 -2.466 -2.067 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.243 -2.308 -3.516 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.191 -2.879 -2.045 1.00 0.00 C ATOM 0 H LEU A1000 8.552 -2.715 0.324 1.00 0.00 H new ATOM 0 HA LEU A1000 11.074 -1.486 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.458 -0.866 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.048 -0.341 -1.852 1.00 0.00 H new ATOM 0 HG LEU A1000 9.130 -3.241 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.380 -3.249 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.188 -2.035 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.826 -1.527 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.312 -3.824 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.791 -2.111 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.521 -2.996 -1.013 1.00 0.00 H new ATOM 907 N ARG A1001 8.546 0.367 1.147 1.00 0.00 N ATOM 908 CA ARG A1001 8.179 1.603 1.815 1.00 0.00 C ATOM 909 C ARG A1001 8.952 1.765 3.111 1.00 0.00 C ATOM 910 O ARG A1001 9.419 2.856 3.440 1.00 0.00 O ATOM 911 CB ARG A1001 6.682 1.585 2.084 1.00 0.00 C ATOM 912 CG ARG A1001 6.307 2.708 3.051 1.00 0.00 C ATOM 913 CD ARG A1001 4.792 2.893 3.044 1.00 0.00 C ATOM 914 NE ARG A1001 4.390 3.944 3.978 1.00 0.00 N ATOM 915 CZ ARG A1001 4.131 3.668 5.255 1.00 0.00 C ATOM 916 NH1 ARG A1001 4.307 2.455 5.703 1.00 0.00 N ATOM 917 NH2 ARG A1001 3.725 4.614 6.057 1.00 0.00 N ATOM 0 H ARG A1001 7.769 -0.275 0.987 1.00 0.00 H new ATOM 0 HA ARG A1001 8.428 2.450 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.135 1.703 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.392 0.622 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A1001 6.651 2.468 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A1001 6.800 3.635 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.457 3.147 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.306 1.956 3.314 1.00 0.00 H new ATOM 0 HE ARG A1001 4.307 4.905 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A1001 4.642 1.723 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A1001 4.110 2.239 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A1001 3.606 5.564 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A1001 3.526 4.403 7.035 1.00 0.00 H new ATOM 931 N ALA A1002 9.089 0.676 3.836 1.00 0.00 N ATOM 932 CA ALA A1002 9.813 0.716 5.084 1.00 0.00 C ATOM 933 C ALA A1002 11.229 1.173 4.801 1.00 0.00 C ATOM 934 O ALA A1002 11.841 1.885 5.598 1.00 0.00 O ATOM 935 CB ALA A1002 9.837 -0.668 5.733 1.00 0.00 C ATOM 0 H ALA A1002 8.712 -0.238 3.585 1.00 0.00 H new ATOM 0 HA ALA A1002 9.322 1.406 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.387 -0.620 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.816 -0.997 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.325 -1.376 5.063 1.00 0.00 H new