USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=7 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 -66:sc= -2.77! USER MOD Set 1.2: A 974 GLN : amide:sc= -6.79! C(o=-9.6!,f=-12!) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= 0.0913! K(o=0.091!,f=-1.5) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl -160:sc= -0.105 (180deg=-1.47!) USER MOD Single : A 973 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.0052) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot -46:sc= 0.438! USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -70:sc= -0.615! USER MOD Single : A 992 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.1) USER MOD Single : A 994 TYR OH : rot 59:sc= 0.115 USER MOD Single : A 995 ASN : amide:sc= -3.6! K(o=-3.6!,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 952 -7.998 7.043 8.102 1.00 0.00 N ATOM 93 CA ARG A 952 -7.194 7.840 9.023 1.00 0.00 C ATOM 94 C ARG A 952 -6.219 8.717 8.245 1.00 0.00 C ATOM 95 O ARG A 952 -6.027 8.529 7.043 1.00 0.00 O ATOM 96 CB ARG A 952 -6.414 6.917 9.965 1.00 0.00 C ATOM 97 CG ARG A 952 -7.387 6.215 10.912 1.00 0.00 C ATOM 98 CD ARG A 952 -6.608 5.284 11.843 1.00 0.00 C ATOM 99 NE ARG A 952 -7.511 4.630 12.781 1.00 0.00 N ATOM 100 CZ ARG A 952 -7.061 3.730 13.649 1.00 0.00 C ATOM 101 NH1 ARG A 952 -5.797 3.403 13.651 1.00 0.00 N ATOM 102 NH2 ARG A 952 -7.881 3.174 14.501 1.00 0.00 N ATOM 0 HA ARG A 952 -7.858 8.477 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.855 6.180 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.686 7.494 10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.939 6.952 11.495 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.121 5.646 10.341 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.077 4.534 11.257 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -5.855 5.852 12.389 1.00 0.00 H new ATOM 0 HE ARG A 952 -8.503 4.866 12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.157 3.838 12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -5.450 2.712 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -8.868 3.431 14.500 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -7.534 2.483 15.167 1.00 0.00 H new ATOM 116 N ASP A 953 -5.609 9.676 8.932 1.00 0.00 N ATOM 117 CA ASP A 953 -4.663 10.578 8.286 1.00 0.00 C ATOM 118 C ASP A 953 -3.483 9.794 7.717 1.00 0.00 C ATOM 119 O ASP A 953 -3.009 10.084 6.617 1.00 0.00 O ATOM 120 CB ASP A 953 -4.150 11.612 9.288 1.00 0.00 C ATOM 121 CG ASP A 953 -5.274 12.577 9.651 1.00 0.00 C ATOM 122 OD1 ASP A 953 -5.919 13.074 8.743 1.00 0.00 O ATOM 123 OD2 ASP A 953 -5.476 12.802 10.832 1.00 0.00 O ATOM 0 H ASP A 953 -5.751 9.848 9.927 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.178 11.089 7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.782 11.113 10.185 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -3.310 12.161 8.862 1.00 0.00 H new ATOM 128 N ASP A 954 -3.015 8.798 8.460 1.00 0.00 N ATOM 129 CA ASP A 954 -1.893 7.991 7.996 1.00 0.00 C ATOM 130 C ASP A 954 -2.332 7.068 6.867 1.00 0.00 C ATOM 131 O ASP A 954 -1.635 6.925 5.862 1.00 0.00 O ATOM 132 CB ASP A 954 -1.329 7.160 9.149 1.00 0.00 C ATOM 133 CG ASP A 954 -2.433 6.323 9.786 1.00 0.00 C ATOM 134 OD1 ASP A 954 -3.537 6.830 9.911 1.00 0.00 O ATOM 135 OD2 ASP A 954 -2.161 5.186 10.134 1.00 0.00 O ATOM 0 H ASP A 954 -3.388 8.533 9.372 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.118 8.661 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -0.535 6.509 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.884 7.817 9.896 1.00 0.00 H new ATOM 140 N GLU A 955 -3.493 6.449 7.038 1.00 0.00 N ATOM 141 CA GLU A 955 -4.020 5.540 6.031 1.00 0.00 C ATOM 142 C GLU A 955 -4.311 6.276 4.728 1.00 0.00 C ATOM 143 O GLU A 955 -4.028 5.768 3.641 1.00 0.00 O ATOM 144 CB GLU A 955 -5.304 4.896 6.548 1.00 0.00 C ATOM 145 CG GLU A 955 -4.981 4.021 7.761 1.00 0.00 C ATOM 146 CD GLU A 955 -4.163 2.810 7.328 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.220 2.472 6.156 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.489 2.240 8.171 1.00 0.00 O ATOM 0 H GLU A 955 -4.085 6.560 7.861 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.271 4.773 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.025 5.666 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.763 4.294 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.426 4.600 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.904 3.694 8.240 1.00 0.00 H new ATOM 155 N TYR A 956 -4.865 7.475 4.837 1.00 0.00 N ATOM 156 CA TYR A 956 -5.174 8.262 3.651 1.00 0.00 C ATOM 157 C TYR A 956 -3.890 8.532 2.876 1.00 0.00 C ATOM 158 O TYR A 956 -3.845 8.403 1.649 1.00 0.00 O ATOM 159 CB TYR A 956 -5.815 9.593 4.051 1.00 0.00 C ATOM 160 CG TYR A 956 -6.081 10.421 2.817 1.00 0.00 C ATOM 161 CD1 TYR A 956 -5.077 11.251 2.301 1.00 0.00 C ATOM 162 CD2 TYR A 956 -7.331 10.359 2.193 1.00 0.00 C ATOM 163 CE1 TYR A 956 -5.327 12.018 1.155 1.00 0.00 C ATOM 164 CE2 TYR A 956 -7.579 11.127 1.048 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.578 11.956 0.530 1.00 0.00 C ATOM 166 OH TYR A 956 -6.823 12.713 -0.598 1.00 0.00 O ATOM 0 H TYR A 956 -5.107 7.920 5.722 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.873 7.705 3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.747 9.412 4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.157 10.135 4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -4.113 11.300 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -8.104 9.720 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -4.554 12.657 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -8.544 11.079 0.565 1.00 0.00 H new ATOM 0 HH TYR A 956 -7.739 12.552 -0.907 1.00 0.00 H new ATOM 176 N ASP A 957 -2.843 8.898 3.605 1.00 0.00 N ATOM 177 CA ASP A 957 -1.555 9.179 2.990 1.00 0.00 C ATOM 178 C ASP A 957 -1.012 7.928 2.311 1.00 0.00 C ATOM 179 O ASP A 957 -0.478 7.994 1.203 1.00 0.00 O ATOM 180 CB ASP A 957 -0.565 9.672 4.046 1.00 0.00 C ATOM 181 CG ASP A 957 0.723 10.150 3.382 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.680 11.178 2.722 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.732 9.488 3.549 1.00 0.00 O ATOM 0 H ASP A 957 -2.862 9.006 4.619 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.688 9.958 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -1.010 10.485 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.343 8.869 4.749 1.00 0.00 H new ATOM 188 N GLU A 958 -1.161 6.785 2.974 1.00 0.00 N ATOM 189 CA GLU A 958 -0.690 5.525 2.410 1.00 0.00 C ATOM 190 C GLU A 958 -1.462 5.207 1.131 1.00 0.00 C ATOM 191 O GLU A 958 -0.897 4.688 0.168 1.00 0.00 O ATOM 192 CB GLU A 958 -0.875 4.385 3.435 1.00 0.00 C ATOM 193 CG GLU A 958 0.356 4.271 4.350 1.00 0.00 C ATOM 194 CD GLU A 958 0.469 5.497 5.251 1.00 0.00 C ATOM 195 OE1 GLU A 958 0.493 6.599 4.724 1.00 0.00 O ATOM 196 OE2 GLU A 958 0.527 5.315 6.456 1.00 0.00 O ATOM 0 H GLU A 958 -1.599 6.705 3.892 1.00 0.00 H new ATOM 0 HA GLU A 958 0.370 5.617 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -1.765 4.571 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.034 3.442 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 958 0.281 3.370 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 958 1.258 4.173 3.745 1.00 0.00 H new ATOM 203 N TRP A 959 -2.752 5.517 1.126 1.00 0.00 N ATOM 204 CA TRP A 959 -3.578 5.255 -0.043 1.00 0.00 C ATOM 205 C TRP A 959 -3.091 6.086 -1.229 1.00 0.00 C ATOM 206 O TRP A 959 -2.901 5.568 -2.325 1.00 0.00 O ATOM 207 CB TRP A 959 -5.041 5.576 0.289 1.00 0.00 C ATOM 208 CG TRP A 959 -5.877 5.596 -0.950 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.018 4.574 -1.827 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.698 6.684 -1.456 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.885 4.968 -2.833 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.327 6.265 -2.648 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.951 7.983 -0.990 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.186 7.106 -3.354 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.810 8.836 -1.698 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.427 8.397 -2.879 1.00 0.00 C ATOM 0 H TRP A 959 -3.244 5.946 1.910 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.502 4.203 -0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.432 4.833 0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.101 6.543 0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.535 3.611 -1.754 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.163 4.374 -3.614 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.481 8.328 -0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.661 6.762 -4.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.997 9.835 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.088 9.057 -3.421 1.00 0.00 H new ATOM 227 N GLN A 960 -2.875 7.374 -1.017 1.00 0.00 N ATOM 228 CA GLN A 960 -2.399 8.223 -2.102 1.00 0.00 C ATOM 229 C GLN A 960 -0.997 7.808 -2.534 1.00 0.00 C ATOM 230 O GLN A 960 -0.669 7.828 -3.722 1.00 0.00 O ATOM 231 CB GLN A 960 -2.386 9.691 -1.667 1.00 0.00 C ATOM 232 CG GLN A 960 -3.819 10.215 -1.546 1.00 0.00 C ATOM 233 CD GLN A 960 -4.468 10.291 -2.926 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.992 11.021 -3.796 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.528 9.575 -3.181 1.00 0.00 N ATOM 0 H GLN A 960 -3.017 7.849 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.080 8.105 -2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.872 9.791 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.832 10.288 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.401 9.560 -0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.816 11.201 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.921 8.971 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.964 9.619 -4.102 1.00 0.00 H new ATOM 244 N ASP A 961 -0.175 7.441 -1.564 1.00 0.00 N ATOM 245 CA ASP A 961 1.196 7.035 -1.849 1.00 0.00 C ATOM 246 C ASP A 961 1.221 5.734 -2.652 1.00 0.00 C ATOM 247 O ASP A 961 2.078 5.551 -3.521 1.00 0.00 O ATOM 248 CB ASP A 961 1.978 6.860 -0.530 1.00 0.00 C ATOM 249 CG ASP A 961 2.539 8.202 -0.051 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.799 9.054 -0.886 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.693 8.361 1.149 1.00 0.00 O ATOM 0 H ASP A 961 -0.429 7.415 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 961 1.670 7.814 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.323 6.441 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.793 6.151 -0.676 1.00 0.00 H new ATOM 256 N ILE A 962 0.286 4.827 -2.367 1.00 0.00 N ATOM 257 CA ILE A 962 0.260 3.569 -3.090 1.00 0.00 C ATOM 258 C ILE A 962 -0.148 3.856 -4.534 1.00 0.00 C ATOM 259 O ILE A 962 0.394 3.274 -5.475 1.00 0.00 O ATOM 260 CB ILE A 962 -0.691 2.553 -2.395 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.088 1.141 -2.492 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.079 2.555 -3.058 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.076 0.103 -1.955 1.00 0.00 C ATOM 0 H ILE A 962 -0.441 4.939 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 962 1.248 3.108 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 962 -0.803 2.845 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 962 0.160 0.915 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.842 1.096 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -2.724 1.836 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.517 3.551 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -1.981 2.280 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -0.636 -0.891 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.302 0.322 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -1.995 0.138 -2.541 1.00 0.00 H new ATOM 275 N ILE A 963 -1.092 4.781 -4.691 1.00 0.00 N ATOM 276 CA ILE A 963 -1.550 5.166 -6.019 1.00 0.00 C ATOM 277 C ILE A 963 -0.385 5.744 -6.807 1.00 0.00 C ATOM 278 O ILE A 963 -0.203 5.438 -7.986 1.00 0.00 O ATOM 279 CB ILE A 963 -2.679 6.201 -5.912 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.919 5.502 -5.354 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.976 6.802 -7.293 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.051 6.503 -5.082 1.00 0.00 C ATOM 0 H ILE A 963 -1.549 5.272 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 963 -1.935 4.286 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.383 7.014 -5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.262 4.746 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.661 4.982 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.778 7.535 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.080 7.289 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.281 6.010 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.918 5.973 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.715 7.243 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.325 7.004 -6.011 1.00 0.00 H new ATOM 294 N ARG A 964 0.403 6.569 -6.142 1.00 0.00 N ATOM 295 CA ARG A 964 1.558 7.173 -6.782 1.00 0.00 C ATOM 296 C ARG A 964 2.479 6.066 -7.287 1.00 0.00 C ATOM 297 O ARG A 964 3.029 6.148 -8.386 1.00 0.00 O ATOM 298 CB ARG A 964 2.307 8.049 -5.776 1.00 0.00 C ATOM 299 CG ARG A 964 3.416 8.826 -6.491 1.00 0.00 C ATOM 300 CD ARG A 964 4.207 9.639 -5.468 1.00 0.00 C ATOM 301 NE ARG A 964 4.994 8.751 -4.619 1.00 0.00 N ATOM 302 CZ ARG A 964 5.706 9.227 -3.604 1.00 0.00 C ATOM 303 NH1 ARG A 964 5.677 10.501 -3.325 1.00 0.00 N ATOM 304 NH2 ARG A 964 6.428 8.419 -2.878 1.00 0.00 N ATOM 0 H ARG A 964 0.267 6.835 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 964 1.234 7.793 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.615 8.742 -5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.734 7.429 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.078 8.137 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 964 2.985 9.487 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 964 4.864 10.341 -5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 964 3.525 10.229 -4.856 1.00 0.00 H new ATOM 0 HE ARG A 964 4.997 7.749 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.107 11.133 -3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 964 6.224 10.865 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 964 6.446 7.421 -3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 964 6.975 8.785 -2.098 1.00 0.00 H new ATOM 318 N ASP A 965 2.643 5.031 -6.463 1.00 0.00 N ATOM 319 CA ASP A 965 3.503 3.901 -6.812 1.00 0.00 C ATOM 320 C ASP A 965 2.990 3.123 -8.030 1.00 0.00 C ATOM 321 O ASP A 965 3.777 2.760 -8.906 1.00 0.00 O ATOM 322 CB ASP A 965 3.614 2.953 -5.619 1.00 0.00 C ATOM 323 CG ASP A 965 4.704 1.920 -5.882 1.00 0.00 C ATOM 324 OD1 ASP A 965 4.895 1.567 -7.033 1.00 0.00 O ATOM 325 OD2 ASP A 965 5.338 1.504 -4.928 1.00 0.00 O ATOM 0 H ASP A 965 2.193 4.952 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 965 4.480 4.309 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.844 3.517 -4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.660 2.454 -5.449 1.00 0.00 H new ATOM 330 N TRP A 966 1.684 2.845 -8.090 1.00 0.00 N ATOM 331 CA TRP A 966 1.142 2.090 -9.226 1.00 0.00 C ATOM 332 C TRP A 966 1.053 2.971 -10.467 1.00 0.00 C ATOM 333 O TRP A 966 0.664 2.511 -11.541 1.00 0.00 O ATOM 334 CB TRP A 966 -0.254 1.534 -8.919 1.00 0.00 C ATOM 335 CG TRP A 966 -0.277 0.822 -7.604 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.089 1.151 -6.577 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.496 -0.335 -7.159 1.00 0.00 C ATOM 338 NE1 TRP A 966 -0.860 0.285 -5.528 1.00 0.00 N ATOM 339 CE2 TRP A 966 0.111 -0.645 -5.833 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.490 -1.134 -7.762 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.685 -1.706 -5.131 1.00 0.00 C ATOM 342 CZ3 TRP A 966 2.069 -2.201 -7.057 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.671 -2.485 -5.744 1.00 0.00 C ATOM 0 H TRP A 966 0.998 3.122 -7.387 1.00 0.00 H new ATOM 0 HA TRP A 966 1.824 1.260 -9.408 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -0.978 2.349 -8.907 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.558 0.850 -9.711 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.803 1.961 -6.577 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.350 0.328 -4.634 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.808 -0.923 -8.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 0.370 -1.924 -4.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.827 -2.808 -7.530 1.00 0.00 H new ATOM 0 HH2 TRP A 966 2.125 -3.304 -5.206 1.00 0.00 H new ATOM 354 N ARG A 967 1.420 4.232 -10.311 1.00 0.00 N ATOM 355 CA ARG A 967 1.389 5.177 -11.418 1.00 0.00 C ATOM 356 C ARG A 967 0.018 5.196 -12.098 1.00 0.00 C ATOM 357 O ARG A 967 -0.128 5.738 -13.194 1.00 0.00 O ATOM 358 CB ARG A 967 2.461 4.812 -12.446 1.00 0.00 C ATOM 359 CG ARG A 967 3.846 5.001 -11.823 1.00 0.00 C ATOM 360 CD ARG A 967 4.918 4.593 -12.838 1.00 0.00 C ATOM 361 NE ARG A 967 6.249 4.761 -12.266 1.00 0.00 N ATOM 362 CZ ARG A 967 7.326 4.286 -12.884 1.00 0.00 C ATOM 363 NH1 ARG A 967 7.205 3.685 -14.035 1.00 0.00 N ATOM 364 NH2 ARG A 967 8.505 4.425 -12.344 1.00 0.00 N ATOM 0 H ARG A 967 1.743 4.627 -9.428 1.00 0.00 H new ATOM 0 HA ARG A 967 1.586 6.170 -11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.333 3.779 -12.770 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.360 5.439 -13.332 1.00 0.00 H new ATOM 0 HG2 ARG A 967 3.986 6.041 -11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 967 3.936 4.398 -10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 967 4.771 3.554 -13.134 1.00 0.00 H new ATOM 0 HD3 ARG A 967 4.824 5.198 -13.740 1.00 0.00 H new ATOM 0 HE ARG A 967 6.355 5.251 -11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.284 3.579 -14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 967 8.031 3.321 -14.509 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.602 4.899 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 967 9.330 4.060 -12.820 1.00 0.00 H new ATOM 378 N LYS A 968 -0.996 4.627 -11.435 1.00 0.00 N ATOM 379 CA LYS A 968 -2.359 4.619 -11.985 1.00 0.00 C ATOM 380 C LYS A 968 -3.357 4.946 -10.875 1.00 0.00 C ATOM 381 O LYS A 968 -3.205 4.492 -9.744 1.00 0.00 O ATOM 382 CB LYS A 968 -2.694 3.255 -12.620 1.00 0.00 C ATOM 383 CG LYS A 968 -2.927 2.191 -11.541 1.00 0.00 C ATOM 384 CD LYS A 968 -3.167 0.833 -12.200 1.00 0.00 C ATOM 385 CE LYS A 968 -3.435 -0.211 -11.112 1.00 0.00 C ATOM 386 NZ LYS A 968 -3.727 -1.530 -11.740 1.00 0.00 N ATOM 0 H LYS A 968 -0.902 4.171 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.424 5.375 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.584 3.348 -13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.879 2.944 -13.273 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -2.064 2.137 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.785 2.464 -10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.015 0.891 -12.883 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.299 0.544 -12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -2.570 -0.295 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -4.276 0.102 -10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -3.908 -2.235 -10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -4.565 -1.446 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -2.912 -1.831 -12.311 1.00 0.00 H new ATOM 400 N GLU A 969 -4.372 5.738 -11.205 1.00 0.00 N ATOM 401 CA GLU A 969 -5.376 6.125 -10.217 1.00 0.00 C ATOM 402 C GLU A 969 -6.190 4.926 -9.728 1.00 0.00 C ATOM 403 O GLU A 969 -6.610 4.080 -10.519 1.00 0.00 O ATOM 404 CB GLU A 969 -6.320 7.170 -10.816 1.00 0.00 C ATOM 405 CG GLU A 969 -6.896 6.654 -12.137 1.00 0.00 C ATOM 406 CD GLU A 969 -7.805 7.711 -12.749 1.00 0.00 C ATOM 407 OE1 GLU A 969 -7.440 8.875 -12.701 1.00 0.00 O ATOM 408 OE2 GLU A 969 -8.852 7.347 -13.256 1.00 0.00 O ATOM 0 H GLU A 969 -4.522 6.122 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.847 6.544 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -7.128 7.387 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.784 8.104 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -6.088 6.412 -12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.455 5.734 -11.966 1.00 0.00 H new ATOM 415 N MET A 970 -6.421 4.874 -8.412 1.00 0.00 N ATOM 416 CA MET A 970 -7.205 3.793 -7.802 1.00 0.00 C ATOM 417 C MET A 970 -8.198 4.370 -6.803 1.00 0.00 C ATOM 418 O MET A 970 -8.286 5.586 -6.632 1.00 0.00 O ATOM 419 CB MET A 970 -6.301 2.796 -7.063 1.00 0.00 C ATOM 420 CG MET A 970 -5.076 2.451 -7.908 1.00 0.00 C ATOM 421 SD MET A 970 -4.390 0.873 -7.341 1.00 0.00 S ATOM 422 CE MET A 970 -4.371 1.234 -5.564 1.00 0.00 C ATOM 0 H MET A 970 -6.077 5.568 -7.748 1.00 0.00 H new ATOM 0 HA MET A 970 -7.728 3.275 -8.605 1.00 0.00 H new ATOM 0 HB2 MET A 970 -5.984 3.221 -6.111 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.861 1.888 -6.837 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.352 2.385 -8.960 1.00 0.00 H new ATOM 0 HG3 MET A 970 -4.327 3.239 -7.824 1.00 0.00 H new ATOM 0 HE1 MET A 970 -3.675 0.561 -5.063 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.056 2.266 -5.406 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.371 1.092 -5.153 1.00 0.00 H new ATOM 432 N THR A 971 -8.929 3.483 -6.138 1.00 0.00 N ATOM 433 CA THR A 971 -9.916 3.887 -5.134 1.00 0.00 C ATOM 434 C THR A 971 -9.551 3.315 -3.769 1.00 0.00 C ATOM 435 O THR A 971 -8.790 2.351 -3.672 1.00 0.00 O ATOM 436 CB THR A 971 -11.305 3.392 -5.539 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.261 1.988 -5.757 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.747 4.097 -6.822 1.00 0.00 C ATOM 0 H THR A 971 -8.859 2.475 -6.274 1.00 0.00 H new ATOM 0 HA THR A 971 -9.922 4.975 -5.073 1.00 0.00 H new ATOM 0 HB THR A 971 -12.016 3.614 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 971 -10.696 1.795 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.737 3.743 -7.109 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.782 5.173 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.038 3.878 -7.620 1.00 0.00 H new ATOM 446 N VAL A 972 -10.104 3.908 -2.723 1.00 0.00 N ATOM 447 CA VAL A 972 -9.845 3.451 -1.367 1.00 0.00 C ATOM 448 C VAL A 972 -10.371 2.031 -1.174 1.00 0.00 C ATOM 449 O VAL A 972 -9.705 1.190 -0.574 1.00 0.00 O ATOM 450 CB VAL A 972 -10.515 4.414 -0.367 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.619 3.756 1.024 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.673 5.695 -0.270 1.00 0.00 C ATOM 0 H VAL A 972 -10.735 4.707 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.769 3.441 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.520 4.653 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.094 4.448 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.216 2.847 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.621 3.508 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.138 6.384 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.669 5.446 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.613 6.166 -1.251 1.00 0.00 H new ATOM 462 N GLN A 973 -11.571 1.772 -1.676 1.00 0.00 N ATOM 463 CA GLN A 973 -12.168 0.452 -1.533 1.00 0.00 C ATOM 464 C GLN A 973 -11.217 -0.633 -2.032 1.00 0.00 C ATOM 465 O GLN A 973 -11.101 -1.696 -1.422 1.00 0.00 O ATOM 466 CB GLN A 973 -13.481 0.383 -2.318 1.00 0.00 C ATOM 467 CG GLN A 973 -14.148 -0.977 -2.085 1.00 0.00 C ATOM 468 CD GLN A 973 -15.511 -1.010 -2.768 1.00 0.00 C ATOM 469 OE1 GLN A 973 -16.135 -2.066 -2.860 1.00 0.00 O ATOM 470 NE2 GLN A 973 -16.016 0.095 -3.247 1.00 0.00 N ATOM 0 H GLN A 973 -12.144 2.449 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.366 0.282 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.148 1.185 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.289 0.528 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -13.516 -1.774 -2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.263 -1.157 -1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -15.496 0.969 -3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -16.930 0.084 -3.699 1.00 0.00 H new ATOM 479 N GLN A 974 -10.538 -0.364 -3.143 1.00 0.00 N ATOM 480 CA GLN A 974 -9.602 -1.328 -3.709 1.00 0.00 C ATOM 481 C GLN A 974 -8.459 -1.595 -2.727 1.00 0.00 C ATOM 482 O GLN A 974 -8.059 -2.740 -2.526 1.00 0.00 O ATOM 483 CB GLN A 974 -9.053 -0.764 -5.030 1.00 0.00 C ATOM 484 CG GLN A 974 -9.965 -1.147 -6.205 1.00 0.00 C ATOM 485 CD GLN A 974 -11.428 -0.829 -5.894 1.00 0.00 C ATOM 486 OE1 GLN A 974 -11.958 -1.241 -4.864 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.119 -0.117 -6.739 1.00 0.00 N ATOM 0 H GLN A 974 -10.618 0.508 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.113 -2.272 -3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -8.974 0.321 -4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.047 -1.146 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.655 -0.608 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.859 -2.210 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.682 0.226 -7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.097 0.097 -6.545 1.00 0.00 H new ATOM 496 N PHE A 975 -7.945 -0.534 -2.119 1.00 0.00 N ATOM 497 CA PHE A 975 -6.856 -0.670 -1.154 1.00 0.00 C ATOM 498 C PHE A 975 -7.295 -1.510 0.046 1.00 0.00 C ATOM 499 O PHE A 975 -6.584 -2.418 0.470 1.00 0.00 O ATOM 500 CB PHE A 975 -6.401 0.717 -0.704 1.00 0.00 C ATOM 501 CG PHE A 975 -5.366 0.587 0.394 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.140 -0.034 0.133 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.636 1.095 1.674 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.180 -0.142 1.148 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.675 0.988 2.688 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.447 0.369 2.424 1.00 0.00 C ATOM 0 H PHE A 975 -8.260 0.424 -2.273 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.021 -1.184 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -5.982 1.264 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.255 1.291 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -3.933 -0.430 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.585 1.569 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.233 -0.620 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.881 1.382 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.706 0.286 3.205 1.00 0.00 H new ATOM 516 N LEU A 976 -8.484 -1.219 0.566 1.00 0.00 N ATOM 517 CA LEU A 976 -9.023 -1.973 1.698 1.00 0.00 C ATOM 518 C LEU A 976 -9.233 -3.433 1.295 1.00 0.00 C ATOM 519 O LEU A 976 -8.991 -4.353 2.076 1.00 0.00 O ATOM 520 CB LEU A 976 -10.362 -1.347 2.146 1.00 0.00 C ATOM 521 CG LEU A 976 -10.150 -0.254 3.200 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.063 0.718 2.747 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.469 0.501 3.398 1.00 0.00 C ATOM 0 H LEU A 976 -9.090 -0.473 0.226 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.317 -1.935 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.874 -0.925 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.010 -2.124 2.552 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.835 -0.711 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -8.924 1.488 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.128 0.177 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.360 1.184 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.332 1.282 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -11.775 0.952 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -12.239 -0.193 3.735 1.00 0.00 H new ATOM 535 N ASP A 977 -9.691 -3.649 0.077 1.00 0.00 N ATOM 536 CA ASP A 977 -9.910 -5.008 -0.392 1.00 0.00 C ATOM 537 C ASP A 977 -8.571 -5.727 -0.541 1.00 0.00 C ATOM 538 O ASP A 977 -8.447 -6.916 -0.233 1.00 0.00 O ATOM 539 CB ASP A 977 -10.643 -4.982 -1.735 1.00 0.00 C ATOM 540 CG ASP A 977 -11.229 -6.356 -2.040 1.00 0.00 C ATOM 541 OD1 ASP A 977 -11.797 -6.949 -1.136 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.100 -6.798 -3.170 1.00 0.00 O ATOM 0 H ASP A 977 -9.916 -2.917 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.521 -5.543 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.438 -4.237 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.955 -4.688 -2.528 1.00 0.00 H new ATOM 547 N LEU A 978 -7.572 -4.993 -1.031 1.00 0.00 N ATOM 548 CA LEU A 978 -6.242 -5.550 -1.244 1.00 0.00 C ATOM 549 C LEU A 978 -5.555 -5.917 0.070 1.00 0.00 C ATOM 550 O LEU A 978 -4.981 -7.001 0.187 1.00 0.00 O ATOM 551 CB LEU A 978 -5.393 -4.542 -2.030 1.00 0.00 C ATOM 552 CG LEU A 978 -3.940 -5.027 -2.167 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.906 -6.404 -2.839 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.165 -4.024 -3.026 1.00 0.00 C ATOM 0 H LEU A 978 -7.662 -4.010 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.347 -6.473 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.824 -4.393 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.411 -3.576 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.488 -5.105 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.873 -6.738 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.466 -7.118 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.355 -6.337 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.132 -4.356 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.626 -3.956 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.184 -3.045 -2.548 1.00 0.00 H new ATOM 566 N LYS A 979 -5.609 -5.026 1.056 1.00 0.00 N ATOM 567 CA LYS A 979 -4.979 -5.311 2.331 1.00 0.00 C ATOM 568 C LYS A 979 -5.718 -6.464 3.003 1.00 0.00 C ATOM 569 O LYS A 979 -5.109 -7.378 3.532 1.00 0.00 O ATOM 570 CB LYS A 979 -4.975 -4.048 3.216 1.00 0.00 C ATOM 571 CG LYS A 979 -6.339 -3.845 3.870 1.00 0.00 C ATOM 572 CD LYS A 979 -6.372 -2.512 4.607 1.00 0.00 C ATOM 573 CE LYS A 979 -7.657 -2.440 5.432 1.00 0.00 C ATOM 574 NZ LYS A 979 -7.695 -1.164 6.200 1.00 0.00 N ATOM 0 H LYS A 979 -6.074 -4.120 0.995 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.941 -5.605 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.207 -4.138 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.721 -3.176 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.122 -3.870 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.543 -4.659 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.501 -2.417 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.332 -1.686 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -8.525 -2.506 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.709 -3.288 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -8.571 -1.121 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -6.875 -1.118 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.666 -0.361 5.540 1.00 0.00 H new ATOM 588 N GLU A 980 -7.041 -6.424 2.956 1.00 0.00 N ATOM 589 CA GLU A 980 -7.827 -7.485 3.561 1.00 0.00 C ATOM 590 C GLU A 980 -7.362 -8.838 3.023 1.00 0.00 C ATOM 591 O GLU A 980 -7.077 -9.756 3.792 1.00 0.00 O ATOM 592 CB GLU A 980 -9.315 -7.274 3.249 1.00 0.00 C ATOM 593 CG GLU A 980 -10.169 -8.343 3.943 1.00 0.00 C ATOM 594 CD GLU A 980 -10.149 -8.134 5.454 1.00 0.00 C ATOM 595 OE1 GLU A 980 -9.625 -7.120 5.889 1.00 0.00 O ATOM 596 OE2 GLU A 980 -10.663 -8.988 6.157 1.00 0.00 O ATOM 0 H GLU A 980 -7.584 -5.682 2.514 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.689 -7.466 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.624 -6.283 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.476 -7.315 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -11.194 -8.295 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.790 -9.336 3.701 1.00 0.00 H new ATOM 603 N ARG A 981 -7.278 -8.954 1.702 1.00 0.00 N ATOM 604 CA ARG A 981 -6.838 -10.204 1.094 1.00 0.00 C ATOM 605 C ARG A 981 -5.401 -10.545 1.482 1.00 0.00 C ATOM 606 O ARG A 981 -5.115 -11.665 1.905 1.00 0.00 O ATOM 607 CB ARG A 981 -6.936 -10.106 -0.432 1.00 0.00 C ATOM 608 CG ARG A 981 -8.402 -10.128 -0.866 1.00 0.00 C ATOM 609 CD ARG A 981 -8.474 -10.017 -2.390 1.00 0.00 C ATOM 610 NE ARG A 981 -8.059 -8.681 -2.816 1.00 0.00 N ATOM 611 CZ ARG A 981 -7.438 -8.475 -3.978 1.00 0.00 C ATOM 612 NH1 ARG A 981 -7.193 -9.475 -4.781 1.00 0.00 N ATOM 613 NH2 ARG A 981 -7.082 -7.266 -4.317 1.00 0.00 N ATOM 0 H ARG A 981 -7.505 -8.211 1.041 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.490 -10.996 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.460 -9.188 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.400 -10.935 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.879 -11.050 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.944 -9.303 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -7.832 -10.769 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -9.490 -10.216 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 981 -8.250 -7.885 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -7.477 -10.419 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -6.718 -9.312 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -7.279 -6.483 -3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -6.607 -7.104 -5.205 1.00 0.00 H new ATOM 627 N ALA A 982 -4.492 -9.585 1.324 1.00 0.00 N ATOM 628 CA ALA A 982 -3.085 -9.825 1.643 1.00 0.00 C ATOM 629 C ALA A 982 -2.902 -10.207 3.096 1.00 0.00 C ATOM 630 O ALA A 982 -2.249 -11.202 3.408 1.00 0.00 O ATOM 631 CB ALA A 982 -2.259 -8.576 1.349 1.00 0.00 C ATOM 0 H ALA A 982 -4.699 -8.647 0.982 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.745 -10.653 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.213 -8.766 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.347 -8.322 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.626 -7.747 1.954 1.00 0.00 H new ATOM 637 N LEU A 983 -3.474 -9.413 3.980 1.00 0.00 N ATOM 638 CA LEU A 983 -3.353 -9.689 5.391 1.00 0.00 C ATOM 639 C LEU A 983 -4.074 -10.993 5.727 1.00 0.00 C ATOM 640 O LEU A 983 -3.757 -11.649 6.720 1.00 0.00 O ATOM 641 CB LEU A 983 -3.908 -8.518 6.224 1.00 0.00 C ATOM 642 CG LEU A 983 -2.830 -7.433 6.402 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.259 -7.018 5.043 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.453 -6.211 7.080 1.00 0.00 C ATOM 0 H LEU A 983 -4.019 -8.583 3.747 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.298 -9.802 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.783 -8.094 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.235 -8.879 7.199 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.024 -7.834 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.499 -6.251 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.812 -7.885 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.059 -6.623 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.694 -5.440 7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.262 -5.824 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.848 -6.497 8.055 1.00 0.00 H new ATOM 656 N SER A 984 -5.037 -11.373 4.888 1.00 0.00 N ATOM 657 CA SER A 984 -5.782 -12.609 5.113 1.00 0.00 C ATOM 658 C SER A 984 -4.958 -13.814 4.664 1.00 0.00 C ATOM 659 O SER A 984 -5.413 -14.955 4.745 1.00 0.00 O ATOM 660 CB SER A 984 -7.109 -12.580 4.355 1.00 0.00 C ATOM 661 OG SER A 984 -7.687 -13.879 4.383 1.00 0.00 O ATOM 0 H SER A 984 -5.316 -10.851 4.058 1.00 0.00 H new ATOM 0 HA SER A 984 -5.987 -12.695 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.786 -11.857 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.947 -12.262 3.325 1.00 0.00 H new ATOM 0 HG SER A 984 -7.002 -14.546 4.167 1.00 0.00 H new ATOM 667 N GLY A 985 -3.729 -13.552 4.223 1.00 0.00 N ATOM 668 CA GLY A 985 -2.823 -14.620 3.796 1.00 0.00 C ATOM 669 C GLY A 985 -2.929 -14.929 2.303 1.00 0.00 C ATOM 670 O GLY A 985 -2.610 -16.037 1.873 1.00 0.00 O ATOM 0 H GLY A 985 -3.337 -12.613 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.797 -14.335 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -3.041 -15.524 4.365 1.00 0.00 H new ATOM 674 N ALA A 986 -3.360 -13.954 1.508 1.00 0.00 N ATOM 675 CA ALA A 986 -3.470 -14.170 0.065 1.00 0.00 C ATOM 676 C ALA A 986 -2.089 -14.267 -0.551 1.00 0.00 C ATOM 677 O ALA A 986 -1.157 -13.592 -0.110 1.00 0.00 O ATOM 678 CB ALA A 986 -4.218 -13.026 -0.605 1.00 0.00 C ATOM 0 H ALA A 986 -3.634 -13.025 1.827 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.020 -15.098 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.285 -13.213 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.222 -12.953 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.684 -12.092 -0.432 1.00 0.00 H new ATOM 684 N SER A 987 -1.956 -15.100 -1.578 1.00 0.00 N ATOM 685 CA SER A 987 -0.675 -15.264 -2.259 1.00 0.00 C ATOM 686 C SER A 987 -0.704 -14.573 -3.618 1.00 0.00 C ATOM 687 O SER A 987 0.303 -14.529 -4.326 1.00 0.00 O ATOM 688 CB SER A 987 -0.363 -16.750 -2.446 1.00 0.00 C ATOM 689 OG SER A 987 -1.378 -17.341 -3.243 1.00 0.00 O ATOM 0 H SER A 987 -2.714 -15.669 -1.956 1.00 0.00 H new ATOM 0 HA SER A 987 0.102 -14.809 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 987 0.609 -16.873 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.308 -17.247 -1.478 1.00 0.00 H new ATOM 0 HG SER A 987 -1.183 -18.293 -3.368 1.00 0.00 H new ATOM 695 N ASP A 988 -1.863 -14.026 -3.970 1.00 0.00 N ATOM 696 CA ASP A 988 -2.017 -13.326 -5.240 1.00 0.00 C ATOM 697 C ASP A 988 -0.788 -12.449 -5.505 1.00 0.00 C ATOM 698 O ASP A 988 -0.161 -11.978 -4.558 1.00 0.00 O ATOM 699 CB ASP A 988 -3.288 -12.466 -5.191 1.00 0.00 C ATOM 700 CG ASP A 988 -4.389 -13.225 -4.460 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.368 -14.445 -4.502 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.236 -12.579 -3.865 1.00 0.00 O ATOM 0 H ASP A 988 -2.706 -14.054 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.105 -14.050 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.083 -11.524 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.612 -12.219 -6.202 1.00 0.00 H new ATOM 707 N PRO A 989 -0.423 -12.214 -6.743 1.00 0.00 N ATOM 708 CA PRO A 989 0.774 -11.375 -7.066 1.00 0.00 C ATOM 709 C PRO A 989 0.647 -9.985 -6.450 1.00 0.00 C ATOM 710 O PRO A 989 1.646 -9.361 -6.079 1.00 0.00 O ATOM 711 CB PRO A 989 0.778 -11.316 -8.610 1.00 0.00 C ATOM 712 CG PRO A 989 -0.607 -11.709 -9.022 1.00 0.00 C ATOM 713 CD PRO A 989 -1.082 -12.699 -7.968 1.00 0.00 C ATOM 0 HA PRO A 989 1.701 -11.785 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.025 -10.316 -8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.521 -11.995 -9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.264 -10.840 -9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.607 -12.162 -10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.168 -12.697 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.786 -13.720 -8.209 1.00 0.00 H new ATOM 721 N ASP A 990 -0.585 -9.521 -6.331 1.00 0.00 N ATOM 722 CA ASP A 990 -0.846 -8.219 -5.743 1.00 0.00 C ATOM 723 C ASP A 990 -0.626 -8.273 -4.233 1.00 0.00 C ATOM 724 O ASP A 990 -0.321 -7.261 -3.600 1.00 0.00 O ATOM 725 CB ASP A 990 -2.280 -7.786 -6.046 1.00 0.00 C ATOM 726 CG ASP A 990 -2.423 -7.469 -7.532 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.404 -7.271 -8.173 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.545 -7.434 -8.006 1.00 0.00 O ATOM 0 H ASP A 990 -1.419 -10.025 -6.633 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.158 -7.493 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.975 -8.577 -5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.538 -6.909 -5.452 1.00 0.00 H new ATOM 733 N SER A 991 -0.792 -9.468 -3.663 1.00 0.00 N ATOM 734 CA SER A 991 -0.623 -9.659 -2.228 1.00 0.00 C ATOM 735 C SER A 991 0.853 -9.619 -1.851 1.00 0.00 C ATOM 736 O SER A 991 1.260 -8.851 -0.980 1.00 0.00 O ATOM 737 CB SER A 991 -1.201 -11.014 -1.829 1.00 0.00 C ATOM 738 OG SER A 991 -0.259 -12.034 -2.135 1.00 0.00 O ATOM 0 H SER A 991 -1.043 -10.314 -4.175 1.00 0.00 H new ATOM 0 HA SER A 991 -1.144 -8.857 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.433 -11.024 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 991 -2.136 -11.195 -2.360 1.00 0.00 H new ATOM 0 HG SER A 991 -0.193 -12.138 -3.107 1.00 0.00 H new ATOM 744 N GLN A 992 1.651 -10.447 -2.518 1.00 0.00 N ATOM 745 CA GLN A 992 3.080 -10.487 -2.241 1.00 0.00 C ATOM 746 C GLN A 992 3.712 -9.152 -2.621 1.00 0.00 C ATOM 747 O GLN A 992 4.575 -8.638 -1.912 1.00 0.00 O ATOM 748 CB GLN A 992 3.751 -11.642 -3.012 1.00 0.00 C ATOM 749 CG GLN A 992 2.959 -11.956 -4.281 1.00 0.00 C ATOM 750 CD GLN A 992 3.767 -12.886 -5.177 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.986 -12.744 -5.284 1.00 0.00 O ATOM 752 NE2 GLN A 992 3.158 -13.838 -5.828 1.00 0.00 N ATOM 0 H GLN A 992 1.337 -11.091 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 992 3.230 -10.662 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.775 -11.371 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.806 -12.528 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 992 2.008 -12.422 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.727 -11.034 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 992 2.149 -13.953 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 992 3.691 -14.468 -6.428 1.00 0.00 H new ATOM 761 N ARG A 993 3.267 -8.590 -3.742 1.00 0.00 N ATOM 762 CA ARG A 993 3.789 -7.310 -4.194 1.00 0.00 C ATOM 763 C ARG A 993 3.434 -6.221 -3.190 1.00 0.00 C ATOM 764 O ARG A 993 4.262 -5.371 -2.870 1.00 0.00 O ATOM 765 CB ARG A 993 3.211 -6.966 -5.570 1.00 0.00 C ATOM 766 CG ARG A 993 3.817 -7.890 -6.644 1.00 0.00 C ATOM 767 CD ARG A 993 5.155 -7.327 -7.145 1.00 0.00 C ATOM 768 NE ARG A 993 5.653 -8.137 -8.251 1.00 0.00 N ATOM 769 CZ ARG A 993 6.930 -8.096 -8.613 1.00 0.00 C ATOM 770 NH1 ARG A 993 7.767 -7.330 -7.971 1.00 0.00 N ATOM 771 NH2 ARG A 993 7.348 -8.823 -9.613 1.00 0.00 N ATOM 0 H ARG A 993 2.554 -8.998 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 993 4.874 -7.377 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.127 -7.075 -5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.424 -5.925 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 993 3.967 -8.888 -6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.123 -7.991 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.026 -6.294 -7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 993 5.882 -7.318 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 993 5.009 -8.746 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 993 7.441 -6.761 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 993 8.748 -7.300 -8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 993 6.694 -9.422 -10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 993 8.329 -8.792 -9.891 1.00 0.00 H new ATOM 785 N TYR A 994 2.206 -6.262 -2.677 1.00 0.00 N ATOM 786 CA TYR A 994 1.787 -5.277 -1.690 1.00 0.00 C ATOM 787 C TYR A 994 2.640 -5.420 -0.436 1.00 0.00 C ATOM 788 O TYR A 994 3.109 -4.429 0.128 1.00 0.00 O ATOM 789 CB TYR A 994 0.297 -5.441 -1.349 1.00 0.00 C ATOM 790 CG TYR A 994 -0.056 -4.570 -0.160 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.158 -3.185 -0.223 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.589 -5.140 1.003 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.159 -2.377 0.873 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.906 -4.328 2.101 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.689 -2.946 2.035 1.00 0.00 C ATOM 796 OH TYR A 994 -0.994 -2.143 3.114 1.00 0.00 O ATOM 0 H TYR A 994 1.498 -6.953 -2.924 1.00 0.00 H new ATOM 0 HA TYR A 994 1.925 -4.280 -2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.315 -5.165 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.079 -6.485 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.568 -2.743 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.756 -6.206 1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 994 0.006 -1.311 0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.317 -4.768 2.997 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.644 -1.462 2.842 1.00 0.00 H new ATOM 806 N ASN A 995 2.848 -6.662 -0.011 1.00 0.00 N ATOM 807 CA ASN A 995 3.659 -6.912 1.169 1.00 0.00 C ATOM 808 C ASN A 995 5.059 -6.369 0.928 1.00 0.00 C ATOM 809 O ASN A 995 5.656 -5.744 1.807 1.00 0.00 O ATOM 810 CB ASN A 995 3.733 -8.416 1.448 1.00 0.00 C ATOM 811 CG ASN A 995 2.381 -8.932 1.909 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.266 -10.080 2.337 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.340 -8.155 1.835 1.00 0.00 N ATOM 0 H ASN A 995 2.472 -7.497 -0.460 1.00 0.00 H new ATOM 0 HA ASN A 995 3.210 -6.417 2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.044 -8.945 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.486 -8.615 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.426 -8.497 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 995 1.438 -7.204 1.480 1.00 0.00 H new ATOM 820 N ALA A 996 5.565 -6.586 -0.280 1.00 0.00 N ATOM 821 CA ALA A 996 6.881 -6.088 -0.631 1.00 0.00 C ATOM 822 C ALA A 996 6.876 -4.572 -0.591 1.00 0.00 C ATOM 823 O ALA A 996 7.797 -3.952 -0.081 1.00 0.00 O ATOM 824 CB ALA A 996 7.266 -6.524 -2.040 1.00 0.00 C ATOM 0 H ALA A 996 5.088 -7.098 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 996 7.598 -6.491 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.257 -6.139 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.276 -7.613 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.541 -6.132 -2.753 1.00 0.00 H new ATOM 830 N TRP A 997 5.828 -3.976 -1.137 1.00 0.00 N ATOM 831 CA TRP A 997 5.744 -2.530 -1.153 1.00 0.00 C ATOM 832 C TRP A 997 5.915 -2.004 0.258 1.00 0.00 C ATOM 833 O TRP A 997 6.623 -1.022 0.486 1.00 0.00 O ATOM 834 CB TRP A 997 4.407 -2.063 -1.729 1.00 0.00 C ATOM 835 CG TRP A 997 4.389 -0.570 -1.753 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.116 0.196 -2.597 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.626 0.346 -0.920 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.856 1.527 -2.326 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.940 1.671 -1.304 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.700 0.161 0.122 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.359 2.774 -0.676 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.112 1.267 0.756 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.442 2.570 0.358 1.00 0.00 C ATOM 0 H TRP A 997 5.040 -4.462 -1.566 1.00 0.00 H new ATOM 0 HA TRP A 997 6.538 -2.140 -1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.271 -2.458 -2.736 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.583 -2.441 -1.124 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.789 -0.171 -3.358 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.288 2.307 -2.821 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.439 -0.839 0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.616 3.776 -0.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.402 1.113 1.555 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.987 3.416 0.851 1.00 0.00 H new ATOM 854 N LEU A 998 5.295 -2.682 1.215 1.00 0.00 N ATOM 855 CA LEU A 998 5.435 -2.283 2.603 1.00 0.00 C ATOM 856 C LEU A 998 6.898 -2.439 3.006 1.00 0.00 C ATOM 857 O LEU A 998 7.453 -1.605 3.719 1.00 0.00 O ATOM 858 CB LEU A 998 4.550 -3.143 3.514 1.00 0.00 C ATOM 859 CG LEU A 998 3.063 -2.825 3.278 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.210 -3.877 3.996 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.715 -1.427 3.826 1.00 0.00 C ATOM 0 H LEU A 998 4.701 -3.496 1.057 1.00 0.00 H new ATOM 0 HA LEU A 998 5.119 -1.245 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.737 -4.199 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.806 -2.960 4.558 1.00 0.00 H new ATOM 0 HG LEU A 998 2.861 -2.840 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.154 -3.661 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.442 -4.866 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.426 -3.854 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.659 -1.220 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 998 2.918 -1.395 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.322 -0.676 3.319 1.00 0.00 H new ATOM 873 N GLU A 999 7.511 -3.523 2.537 1.00 0.00 N ATOM 874 CA GLU A 999 8.911 -3.794 2.846 1.00 0.00 C ATOM 875 C GLU A 999 9.820 -2.689 2.288 1.00 0.00 C ATOM 876 O GLU A 999 10.669 -2.144 3.008 1.00 0.00 O ATOM 877 CB GLU A 999 9.317 -5.159 2.270 1.00 0.00 C ATOM 878 CG GLU A 999 10.749 -5.479 2.692 1.00 0.00 C ATOM 879 CD GLU A 999 11.156 -6.859 2.185 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.392 -7.443 1.437 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.232 -7.303 2.547 1.00 0.00 O ATOM 0 H GLU A 999 7.063 -4.223 1.946 1.00 0.00 H new ATOM 0 HA GLU A 999 9.029 -3.813 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.639 -5.934 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.241 -5.145 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.429 -4.724 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 999 10.831 -5.445 3.778 1.00 0.00 H new ATOM 888 N LEU A1000 9.633 -2.340 1.016 1.00 0.00 N ATOM 889 CA LEU A1000 10.443 -1.287 0.412 1.00 0.00 C ATOM 890 C LEU A1000 10.213 0.014 1.159 1.00 0.00 C ATOM 891 O LEU A1000 11.145 0.769 1.423 1.00 0.00 O ATOM 892 CB LEU A1000 10.069 -1.066 -1.060 1.00 0.00 C ATOM 893 CG LEU A1000 10.116 -2.384 -1.844 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.962 -2.086 -3.337 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.447 -3.104 -1.593 1.00 0.00 C ATOM 0 H LEU A1000 8.942 -2.762 0.395 1.00 0.00 H new ATOM 0 HA LEU A1000 11.487 -1.594 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A1000 9.069 -0.636 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.754 -0.347 -1.509 1.00 0.00 H new ATOM 0 HG LEU A1000 9.303 -3.029 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.995 -3.019 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A1000 9.008 -1.590 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.774 -1.437 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.467 -4.038 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.271 -2.468 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.550 -3.319 -0.529 1.00 0.00 H new ATOM 907 N ARG A1001 8.957 0.255 1.498 1.00 0.00 N ATOM 908 CA ARG A1001 8.587 1.453 2.223 1.00 0.00 C ATOM 909 C ARG A1001 9.305 1.503 3.562 1.00 0.00 C ATOM 910 O ARG A1001 9.800 2.553 3.978 1.00 0.00 O ATOM 911 CB ARG A1001 7.061 1.462 2.418 1.00 0.00 C ATOM 912 CG ARG A1001 6.654 2.247 3.675 1.00 0.00 C ATOM 913 CD ARG A1001 5.137 2.450 3.692 1.00 0.00 C ATOM 914 NE ARG A1001 4.728 3.030 4.966 1.00 0.00 N ATOM 915 CZ ARG A1001 4.927 4.316 5.238 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.447 5.104 4.337 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.598 4.789 6.407 1.00 0.00 N ATOM 0 H ARG A1001 8.177 -0.366 1.281 1.00 0.00 H new ATOM 0 HA ARG A1001 8.883 2.335 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.585 1.904 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.698 0.437 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A1001 6.968 1.708 4.569 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.159 3.213 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.840 3.104 2.872 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.632 1.496 3.538 1.00 0.00 H new ATOM 0 HE ARG A1001 4.280 2.436 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.702 4.734 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A1001 5.599 6.090 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.189 4.173 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.749 5.775 6.619 1.00 0.00 H new ATOM 931 N ALA A1002 9.352 0.365 4.239 1.00 0.00 N ATOM 932 CA ALA A1002 10.004 0.309 5.528 1.00 0.00 C ATOM 933 C ALA A1002 11.449 0.727 5.362 1.00 0.00 C ATOM 934 O ALA A1002 12.023 1.381 6.230 1.00 0.00 O ATOM 935 CB ALA A1002 9.932 -1.108 6.103 1.00 0.00 C ATOM 0 H ALA A1002 8.951 -0.517 3.919 1.00 0.00 H new ATOM 0 HA ALA A1002 9.499 0.984 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.428 -1.132 7.074 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.889 -1.400 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.429 -1.802 5.425 1.00 0.00 H new