USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 469 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: A1007 SER OG : rot -56:sc= 0.714 USER MOD Set 1.2: A1012 HIS : no HE2:sc= -0.344 K(o=0.37,f=-1.3!) USER MOD Set 2.1: A 991 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 994 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.2!) USER MOD Set 3.1: A 973 MET CE :methyl -160:sc= -0.136 (180deg=-0.774) USER MOD Set 3.2: A 975 HIS : no HE2:sc= -1.44 K(o=-1.6,f=-2.9!) USER MOD Single : A 962 SER OG : rot -20:sc= 0.0887 USER MOD Single : A 964 LYS NZ :NH3+ -167:sc= -0.0453 (180deg=-0.306) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.75) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 981 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 984 SER OG : rot 89:sc= 0.617 USER MOD Single : A 987 THR OG1 : rot 180:sc= -0.0597 USER MOD Single : A 988 TYR OH : rot 128:sc= -1.82! USER MOD Single : A 989 SER OG : rot 180:sc= -0.251 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 999 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1000 SER OG : rot 180:sc= -0.263 USER MOD Single : A1001 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 THR OG1 : rot 180:sc=-0.00137 USER MOD Single : A1014 SER OG : rot -24:sc= 0.0873 USER MOD Single : A1015 THR OG1 : rot 180:sc= 0 USER MOD Single : A1016 LYS NZ :NH3+ 166:sc= -0.0489 (180deg=-0.314) USER MOD Single : A1021 GLN :FLIP amide:sc= -1.85 F(o=-5.6!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 12.824 3.480 -3.638 1.00 0.00 N ATOM 76 CA SER A 962 13.243 2.219 -4.239 1.00 0.00 C ATOM 77 C SER A 962 12.076 1.241 -4.337 1.00 0.00 C ATOM 78 O SER A 962 12.189 0.187 -4.963 1.00 0.00 O ATOM 79 CB SER A 962 14.378 1.596 -3.426 1.00 0.00 C ATOM 80 OG SER A 962 14.822 0.385 -4.012 1.00 0.00 O ATOM 0 HA SER A 962 13.598 2.430 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 962 15.210 2.298 -3.360 1.00 0.00 H new ATOM 0 HB3 SER A 962 14.039 1.407 -2.408 1.00 0.00 H new ATOM 0 HG SER A 962 14.129 0.038 -4.612 1.00 0.00 H new ATOM 86 N CYS A 963 10.954 1.595 -3.715 1.00 0.00 N ATOM 87 CA CYS A 963 9.772 0.742 -3.734 1.00 0.00 C ATOM 88 C CYS A 963 8.808 1.166 -4.837 1.00 0.00 C ATOM 89 O CYS A 963 8.417 2.330 -4.921 1.00 0.00 O ATOM 90 CB CYS A 963 9.064 0.781 -2.378 1.00 0.00 C ATOM 91 SG CYS A 963 10.018 0.032 -1.019 1.00 0.00 S ATOM 0 H CYS A 963 10.840 2.464 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 963 10.098 -0.278 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 963 8.844 1.818 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 963 8.108 0.264 -2.464 1.00 0.00 H new ATOM 96 N LYS A 964 8.428 0.211 -5.681 1.00 0.00 N ATOM 97 CA LYS A 964 7.499 0.479 -6.774 1.00 0.00 C ATOM 98 C LYS A 964 6.075 0.638 -6.249 1.00 0.00 C ATOM 99 O LYS A 964 5.595 -0.185 -5.470 1.00 0.00 O ATOM 100 CB LYS A 964 7.555 -0.650 -7.806 1.00 0.00 C ATOM 101 CG LYS A 964 7.262 -2.024 -7.224 1.00 0.00 C ATOM 102 CD LYS A 964 7.318 -3.106 -8.291 1.00 0.00 C ATOM 103 CE LYS A 964 7.018 -4.477 -7.709 1.00 0.00 C ATOM 104 NZ LYS A 964 7.988 -4.854 -6.643 1.00 0.00 N ATOM 0 H LYS A 964 8.749 -0.756 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 964 7.796 1.412 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 964 6.838 -0.441 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 964 8.544 -0.663 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 964 7.984 -2.249 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 964 6.276 -2.021 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 964 6.600 -2.879 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 964 8.306 -3.113 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 964 6.008 -4.484 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 964 7.045 -5.222 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 7.890 -5.867 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 8.956 -4.661 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 7.796 -4.297 -5.786 1.00 0.00 H new ATOM 118 N THR A 965 5.411 1.708 -6.674 1.00 0.00 N ATOM 119 CA THR A 965 4.064 2.008 -6.202 1.00 0.00 C ATOM 120 C THR A 965 3.093 0.887 -6.559 1.00 0.00 C ATOM 121 O THR A 965 3.095 0.391 -7.687 1.00 0.00 O ATOM 122 CB THR A 965 3.542 3.330 -6.795 1.00 0.00 C ATOM 123 OG1 THR A 965 3.419 3.215 -8.218 1.00 0.00 O ATOM 124 CG2 THR A 965 4.474 4.482 -6.454 1.00 0.00 C ATOM 0 H THR A 965 5.783 2.381 -7.344 1.00 0.00 H new ATOM 0 HA THR A 965 4.124 2.103 -5.118 1.00 0.00 H new ATOM 0 HB THR A 965 2.563 3.535 -6.361 1.00 0.00 H new ATOM 0 HG1 THR A 965 3.085 4.059 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 965 4.084 5.405 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 965 4.542 4.586 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 965 5.465 4.282 -6.862 1.00 0.00 H new ATOM 132 N PRO A 966 2.249 0.469 -5.597 1.00 0.00 N ATOM 133 CA PRO A 966 1.285 -0.616 -5.807 1.00 0.00 C ATOM 134 C PRO A 966 0.124 -0.196 -6.704 1.00 0.00 C ATOM 135 O PRO A 966 -0.275 0.969 -6.711 1.00 0.00 O ATOM 136 CB PRO A 966 0.785 -0.920 -4.395 1.00 0.00 C ATOM 137 CG PRO A 966 0.947 0.362 -3.655 1.00 0.00 C ATOM 138 CD PRO A 966 2.172 1.020 -4.230 1.00 0.00 C ATOM 0 HA PRO A 966 1.736 -1.472 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.256 -1.244 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 966 1.364 -1.720 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 966 0.069 0.997 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 966 1.065 0.184 -2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 966 2.077 2.106 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 966 3.064 0.783 -3.651 1.00 0.00 H new ATOM 146 N PRO A 967 -0.437 -1.146 -7.475 1.00 0.00 N ATOM 147 CA PRO A 967 -1.570 -0.873 -8.367 1.00 0.00 C ATOM 148 C PRO A 967 -2.838 -0.524 -7.597 1.00 0.00 C ATOM 149 O PRO A 967 -3.071 -1.036 -6.502 1.00 0.00 O ATOM 150 CB PRO A 967 -1.752 -2.190 -9.129 1.00 0.00 C ATOM 151 CG PRO A 967 -1.156 -3.228 -8.244 1.00 0.00 C ATOM 152 CD PRO A 967 -0.015 -2.558 -7.534 1.00 0.00 C ATOM 0 HA PRO A 967 -1.382 -0.016 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -2.805 -2.393 -9.322 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -1.250 -2.160 -10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -1.892 -3.604 -7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.807 -4.082 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 967 0.140 -2.974 -6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.922 -2.676 -8.078 1.00 0.00 H new ATOM 160 N ASP A 968 -3.652 0.355 -8.175 1.00 0.00 N ATOM 161 CA ASP A 968 -4.880 0.804 -7.529 1.00 0.00 C ATOM 162 C ASP A 968 -5.810 -0.373 -7.240 1.00 0.00 C ATOM 163 O ASP A 968 -6.299 -1.027 -8.161 1.00 0.00 O ATOM 164 CB ASP A 968 -5.594 1.836 -8.406 1.00 0.00 C ATOM 165 CG ASP A 968 -5.878 1.317 -9.802 1.00 0.00 C ATOM 166 OD1 ASP A 968 -5.001 1.461 -10.679 1.00 0.00 O ATOM 167 OD2 ASP A 968 -6.978 0.766 -10.019 1.00 0.00 O ATOM 0 H ASP A 968 -3.482 0.771 -9.091 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.612 1.268 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.532 2.124 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -4.982 2.735 -8.474 1.00 0.00 H new ATOM 172 N PRO A 969 -6.065 -0.659 -5.949 1.00 0.00 N ATOM 173 CA PRO A 969 -6.951 -1.755 -5.540 1.00 0.00 C ATOM 174 C PRO A 969 -8.344 -1.631 -6.147 1.00 0.00 C ATOM 175 O PRO A 969 -8.780 -0.536 -6.504 1.00 0.00 O ATOM 176 CB PRO A 969 -7.020 -1.615 -4.016 1.00 0.00 C ATOM 177 CG PRO A 969 -5.787 -0.868 -3.644 1.00 0.00 C ATOM 178 CD PRO A 969 -5.510 0.063 -4.789 1.00 0.00 C ATOM 0 HA PRO A 969 -6.577 -2.723 -5.875 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -7.916 -1.076 -3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -7.053 -2.590 -3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -5.931 -0.314 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -4.951 -1.549 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -5.992 1.030 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -4.443 0.253 -4.905 1.00 0.00 H new ATOM 186 N VAL A 970 -9.037 -2.760 -6.261 1.00 0.00 N ATOM 187 CA VAL A 970 -10.380 -2.780 -6.828 1.00 0.00 C ATOM 188 C VAL A 970 -11.334 -1.911 -6.013 1.00 0.00 C ATOM 189 O VAL A 970 -11.383 -2.008 -4.786 1.00 0.00 O ATOM 190 CB VAL A 970 -10.937 -4.216 -6.900 1.00 0.00 C ATOM 191 CG1 VAL A 970 -10.992 -4.842 -5.513 1.00 0.00 C ATOM 192 CG2 VAL A 970 -12.311 -4.226 -7.553 1.00 0.00 C ATOM 0 H VAL A 970 -8.690 -3.673 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 970 -10.305 -2.378 -7.839 1.00 0.00 H new ATOM 0 HB VAL A 970 -10.264 -4.814 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -11.388 -5.855 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -9.989 -4.874 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -11.639 -4.245 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -12.687 -5.248 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -12.996 -3.611 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -12.236 -3.826 -8.564 1.00 0.00 H new ATOM 202 N ASN A 971 -12.085 -1.059 -6.705 1.00 0.00 N ATOM 203 CA ASN A 971 -13.030 -0.161 -6.050 1.00 0.00 C ATOM 204 C ASN A 971 -12.342 0.655 -4.960 1.00 0.00 C ATOM 205 O ASN A 971 -12.960 1.022 -3.961 1.00 0.00 O ATOM 206 CB ASN A 971 -14.192 -0.957 -5.452 1.00 0.00 C ATOM 207 CG ASN A 971 -14.957 -1.741 -6.500 1.00 0.00 C ATOM 208 OD1 ASN A 971 -15.037 -1.336 -7.660 1.00 0.00 O ATOM 209 ND2 ASN A 971 -15.525 -2.871 -6.096 1.00 0.00 N ATOM 0 H ASN A 971 -12.057 -0.972 -7.721 1.00 0.00 H new ATOM 0 HA ASN A 971 -13.418 0.527 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -13.808 -1.644 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -14.873 -0.274 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.053 -3.441 -6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -15.433 -3.169 -5.125 1.00 0.00 H new ATOM 216 N GLY A 972 -11.057 0.933 -5.159 1.00 0.00 N ATOM 217 CA GLY A 972 -10.302 1.693 -4.180 1.00 0.00 C ATOM 218 C GLY A 972 -9.167 2.479 -4.806 1.00 0.00 C ATOM 219 O GLY A 972 -9.065 2.566 -6.030 1.00 0.00 O ATOM 0 H GLY A 972 -10.526 0.645 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -10.972 2.379 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -9.899 1.013 -3.429 1.00 0.00 H new ATOM 223 N MET A 973 -8.312 3.052 -3.966 1.00 0.00 N ATOM 224 CA MET A 973 -7.178 3.835 -4.444 1.00 0.00 C ATOM 225 C MET A 973 -6.126 3.992 -3.351 1.00 0.00 C ATOM 226 O MET A 973 -6.457 4.160 -2.177 1.00 0.00 O ATOM 227 CB MET A 973 -7.649 5.211 -4.919 1.00 0.00 C ATOM 228 CG MET A 973 -8.357 6.017 -3.843 1.00 0.00 C ATOM 229 SD MET A 973 -8.907 7.631 -4.431 1.00 0.00 S ATOM 230 CE MET A 973 -7.347 8.366 -4.911 1.00 0.00 C ATOM 0 H MET A 973 -8.383 2.989 -2.950 1.00 0.00 H new ATOM 0 HA MET A 973 -6.726 3.304 -5.282 1.00 0.00 H new ATOM 0 HB2 MET A 973 -6.789 5.776 -5.278 1.00 0.00 H new ATOM 0 HB3 MET A 973 -8.322 5.083 -5.767 1.00 0.00 H new ATOM 0 HG2 MET A 973 -9.217 5.454 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A 973 -7.685 6.153 -2.996 1.00 0.00 H new ATOM 0 HE1 MET A 973 -7.454 9.450 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 973 -6.582 8.106 -4.179 1.00 0.00 H new ATOM 0 HE3 MET A 973 -7.054 7.990 -5.891 1.00 0.00 H new ATOM 240 N VAL A 974 -4.858 3.938 -3.745 1.00 0.00 N ATOM 241 CA VAL A 974 -3.757 4.093 -2.803 1.00 0.00 C ATOM 242 C VAL A 974 -3.390 5.564 -2.627 1.00 0.00 C ATOM 243 O VAL A 974 -3.462 6.349 -3.572 1.00 0.00 O ATOM 244 CB VAL A 974 -2.510 3.309 -3.263 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.037 3.803 -4.622 1.00 0.00 C ATOM 246 CG2 VAL A 974 -1.398 3.417 -2.230 1.00 0.00 C ATOM 0 H VAL A 974 -4.568 3.788 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.095 3.691 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 974 -2.782 2.258 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -1.157 3.238 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -2.831 3.665 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -1.784 4.861 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -0.527 2.858 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.127 4.464 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -1.742 3.007 -1.281 1.00 0.00 H new ATOM 256 N HIS A 975 -3.006 5.931 -1.408 1.00 0.00 N ATOM 257 CA HIS A 975 -2.674 7.317 -1.098 1.00 0.00 C ATOM 258 C HIS A 975 -1.251 7.430 -0.562 1.00 0.00 C ATOM 259 O HIS A 975 -0.858 6.697 0.345 1.00 0.00 O ATOM 260 CB HIS A 975 -3.660 7.881 -0.074 1.00 0.00 C ATOM 261 CG HIS A 975 -5.086 7.851 -0.532 1.00 0.00 C ATOM 262 ND1 HIS A 975 -5.746 8.964 -1.010 1.00 0.00 N ATOM 263 CD2 HIS A 975 -5.979 6.835 -0.580 1.00 0.00 C ATOM 264 CE1 HIS A 975 -6.984 8.632 -1.332 1.00 0.00 C ATOM 265 NE2 HIS A 975 -7.151 7.347 -1.081 1.00 0.00 N ATOM 0 H HIS A 975 -2.917 5.289 -0.620 1.00 0.00 H new ATOM 0 HA HIS A 975 -2.743 7.895 -2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -3.573 7.313 0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -3.383 8.910 0.156 1.00 0.00 H new ATOM 0 HD1 HIS A 975 -5.342 9.896 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -5.803 5.812 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -7.733 9.299 -1.733 1.00 0.00 H new ATOM 274 N VAL A 976 -0.487 8.363 -1.123 1.00 0.00 N ATOM 275 CA VAL A 976 0.870 8.622 -0.655 1.00 0.00 C ATOM 276 C VAL A 976 0.876 9.710 0.417 1.00 0.00 C ATOM 277 O VAL A 976 0.266 10.767 0.250 1.00 0.00 O ATOM 278 CB VAL A 976 1.794 9.041 -1.816 1.00 0.00 C ATOM 279 CG1 VAL A 976 1.277 10.304 -2.490 1.00 0.00 C ATOM 280 CG2 VAL A 976 3.220 9.236 -1.323 1.00 0.00 C ATOM 0 H VAL A 976 -0.785 8.951 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 976 1.247 7.693 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 976 1.796 8.241 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 976 1.945 10.580 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 976 0.277 10.123 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 976 1.238 11.115 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 976 3.856 9.531 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 976 3.238 10.014 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 976 3.589 8.302 -0.898 1.00 0.00 H new ATOM 290 N ILE A 977 1.556 9.433 1.525 1.00 0.00 N ATOM 291 CA ILE A 977 1.574 10.348 2.660 1.00 0.00 C ATOM 292 C ILE A 977 2.490 11.539 2.394 1.00 0.00 C ATOM 293 O ILE A 977 2.110 12.688 2.619 1.00 0.00 O ATOM 294 CB ILE A 977 2.032 9.636 3.948 1.00 0.00 C ATOM 295 CG1 ILE A 977 1.118 8.444 4.254 1.00 0.00 C ATOM 296 CG2 ILE A 977 2.055 10.609 5.119 1.00 0.00 C ATOM 297 CD1 ILE A 977 -0.331 8.824 4.470 1.00 0.00 C ATOM 0 H ILE A 977 2.102 8.582 1.661 1.00 0.00 H new ATOM 0 HA ILE A 977 0.553 10.704 2.795 1.00 0.00 H new ATOM 0 HB ILE A 977 3.045 9.263 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 977 1.178 7.732 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 977 1.487 7.935 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 977 2.381 10.088 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 977 2.746 11.424 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 977 1.055 11.013 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -0.915 7.928 4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -0.405 9.512 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -0.718 9.306 3.572 1.00 0.00 H new ATOM 309 N THR A 978 3.699 11.258 1.919 1.00 0.00 N ATOM 310 CA THR A 978 4.669 12.306 1.625 1.00 0.00 C ATOM 311 C THR A 978 5.475 11.978 0.373 1.00 0.00 C ATOM 312 O THR A 978 5.415 12.699 -0.623 1.00 0.00 O ATOM 313 CB THR A 978 5.639 12.523 2.803 1.00 0.00 C ATOM 314 OG1 THR A 978 6.281 11.288 3.145 1.00 0.00 O ATOM 315 CG2 THR A 978 4.905 13.070 4.018 1.00 0.00 C ATOM 0 H THR A 978 4.030 10.312 1.729 1.00 0.00 H new ATOM 0 HA THR A 978 4.101 13.221 1.458 1.00 0.00 H new ATOM 0 HB THR A 978 6.390 13.250 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 978 6.897 11.436 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 978 5.612 13.214 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 978 4.443 14.024 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 978 4.134 12.364 4.326 1.00 0.00 H new ATOM 323 N ASP A 979 6.235 10.889 0.434 1.00 0.00 N ATOM 324 CA ASP A 979 7.090 10.488 -0.676 1.00 0.00 C ATOM 325 C ASP A 979 7.228 8.970 -0.731 1.00 0.00 C ATOM 326 O ASP A 979 6.794 8.264 0.179 1.00 0.00 O ATOM 327 CB ASP A 979 8.473 11.131 -0.541 1.00 0.00 C ATOM 328 CG ASP A 979 8.415 12.645 -0.581 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.269 13.262 0.496 1.00 0.00 O ATOM 330 OD2 ASP A 979 8.515 13.214 -1.688 1.00 0.00 O ATOM 0 H ASP A 979 6.276 10.268 1.242 1.00 0.00 H new ATOM 0 HA ASP A 979 6.627 10.829 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 979 8.928 10.813 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 979 9.116 10.774 -1.345 1.00 0.00 H new ATOM 335 N ILE A 980 7.835 8.476 -1.806 1.00 0.00 N ATOM 336 CA ILE A 980 8.026 7.042 -1.984 1.00 0.00 C ATOM 337 C ILE A 980 9.423 6.623 -1.536 1.00 0.00 C ATOM 338 O ILE A 980 10.015 5.694 -2.089 1.00 0.00 O ATOM 339 CB ILE A 980 7.814 6.628 -3.454 1.00 0.00 C ATOM 340 CG1 ILE A 980 6.628 7.389 -4.051 1.00 0.00 C ATOM 341 CG2 ILE A 980 7.588 5.126 -3.556 1.00 0.00 C ATOM 342 CD1 ILE A 980 6.447 7.166 -5.537 1.00 0.00 C ATOM 0 H ILE A 980 8.203 9.048 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 980 7.283 6.536 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 980 8.711 6.880 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 980 5.717 7.088 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 980 6.762 8.455 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 980 7.440 4.850 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 980 8.457 4.600 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 980 6.705 4.851 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 980 5.588 7.737 -5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 980 7.342 7.494 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 980 6.281 6.106 -5.728 1.00 0.00 H new ATOM 354 N GLN A 981 9.947 7.318 -0.532 1.00 0.00 N ATOM 355 CA GLN A 981 11.278 7.031 -0.013 1.00 0.00 C ATOM 356 C GLN A 981 11.226 5.924 1.033 1.00 0.00 C ATOM 357 O GLN A 981 10.272 5.830 1.807 1.00 0.00 O ATOM 358 CB GLN A 981 11.892 8.293 0.594 1.00 0.00 C ATOM 359 CG GLN A 981 12.021 9.442 -0.394 1.00 0.00 C ATOM 360 CD GLN A 981 12.613 10.689 0.235 1.00 0.00 C ATOM 361 OE1 GLN A 981 13.411 10.609 1.168 1.00 0.00 O ATOM 362 NE2 GLN A 981 12.223 11.850 -0.277 1.00 0.00 N ATOM 0 H GLN A 981 9.468 8.086 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 981 11.900 6.694 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.280 8.616 1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 981 12.879 8.053 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 981 12.647 9.129 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.038 9.677 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 981 11.559 11.869 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 981 12.587 12.723 0.104 1.00 0.00 H new ATOM 371 N VAL A 982 12.260 5.088 1.053 1.00 0.00 N ATOM 372 CA VAL A 982 12.344 3.995 2.014 1.00 0.00 C ATOM 373 C VAL A 982 12.286 4.518 3.446 1.00 0.00 C ATOM 374 O VAL A 982 12.968 5.483 3.795 1.00 0.00 O ATOM 375 CB VAL A 982 13.638 3.177 1.824 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.861 4.078 1.913 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.718 2.051 2.845 1.00 0.00 C ATOM 0 H VAL A 982 13.052 5.148 0.413 1.00 0.00 H new ATOM 0 HA VAL A 982 11.487 3.346 1.834 1.00 0.00 H new ATOM 0 HB VAL A 982 13.618 2.731 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.763 3.482 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 982 14.809 4.840 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 982 14.888 4.559 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.638 1.487 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.712 2.471 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 982 12.862 1.388 2.723 1.00 0.00 H new ATOM 387 N GLY A 983 11.458 3.882 4.269 1.00 0.00 N ATOM 388 CA GLY A 983 11.283 4.328 5.638 1.00 0.00 C ATOM 389 C GLY A 983 9.960 5.035 5.852 1.00 0.00 C ATOM 390 O GLY A 983 9.597 5.361 6.982 1.00 0.00 O ATOM 0 H GLY A 983 10.905 3.065 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 983 11.345 3.470 6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 983 12.098 5.000 5.905 1.00 0.00 H new ATOM 394 N SER A 984 9.237 5.273 4.762 1.00 0.00 N ATOM 395 CA SER A 984 7.941 5.938 4.832 1.00 0.00 C ATOM 396 C SER A 984 6.826 4.929 5.089 1.00 0.00 C ATOM 397 O SER A 984 7.073 3.727 5.179 1.00 0.00 O ATOM 398 CB SER A 984 7.666 6.702 3.535 1.00 0.00 C ATOM 399 OG SER A 984 8.658 7.686 3.302 1.00 0.00 O ATOM 0 H SER A 984 9.527 5.015 3.819 1.00 0.00 H new ATOM 0 HA SER A 984 7.966 6.644 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 984 7.638 6.005 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 984 6.686 7.175 3.589 1.00 0.00 H new ATOM 0 HG SER A 984 9.394 7.293 2.788 1.00 0.00 H new ATOM 405 N ARG A 985 5.599 5.427 5.210 1.00 0.00 N ATOM 406 CA ARG A 985 4.450 4.571 5.480 1.00 0.00 C ATOM 407 C ARG A 985 3.184 5.141 4.848 1.00 0.00 C ATOM 408 O ARG A 985 2.470 5.930 5.467 1.00 0.00 O ATOM 409 CB ARG A 985 4.255 4.411 6.988 1.00 0.00 C ATOM 410 CG ARG A 985 3.109 3.482 7.361 1.00 0.00 C ATOM 411 CD ARG A 985 2.936 3.390 8.869 1.00 0.00 C ATOM 412 NE ARG A 985 1.829 2.514 9.239 1.00 0.00 N ATOM 413 CZ ARG A 985 1.376 2.382 10.483 1.00 0.00 C ATOM 414 NH1 ARG A 985 1.933 3.069 11.471 1.00 0.00 N ATOM 415 NH2 ARG A 985 0.365 1.564 10.739 1.00 0.00 N ATOM 0 H ARG A 985 5.376 6.419 5.125 1.00 0.00 H new ATOM 0 HA ARG A 985 4.643 3.593 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.177 4.030 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 985 4.074 5.392 7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.185 3.842 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.297 2.489 6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 985 3.858 3.019 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.762 4.386 9.276 1.00 0.00 H new ATOM 0 HE ARG A 985 1.377 1.972 8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 985 2.711 3.700 11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 985 1.584 2.966 12.424 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -0.067 1.035 9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 985 0.019 1.464 11.693 1.00 0.00 H new ATOM 429 N ILE A 986 2.906 4.730 3.613 1.00 0.00 N ATOM 430 CA ILE A 986 1.698 5.159 2.919 1.00 0.00 C ATOM 431 C ILE A 986 0.477 4.402 3.434 1.00 0.00 C ATOM 432 O ILE A 986 0.590 3.551 4.315 1.00 0.00 O ATOM 433 CB ILE A 986 1.816 4.950 1.397 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.979 3.462 1.074 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.986 5.752 0.844 1.00 0.00 C ATOM 436 CD1 ILE A 986 2.020 3.162 -0.410 1.00 0.00 C ATOM 0 H ILE A 986 3.501 4.101 3.074 1.00 0.00 H new ATOM 0 HA ILE A 986 1.577 6.224 3.119 1.00 0.00 H new ATOM 0 HB ILE A 986 0.901 5.305 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.897 3.098 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 986 1.155 2.909 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 986 3.058 5.595 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.829 6.811 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.910 5.424 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 986 2.137 2.089 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 986 1.092 3.495 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 986 2.861 3.686 -0.864 1.00 0.00 H new ATOM 448 N THR A 987 -0.690 4.724 2.885 1.00 0.00 N ATOM 449 CA THR A 987 -1.935 4.102 3.319 1.00 0.00 C ATOM 450 C THR A 987 -2.809 3.735 2.124 1.00 0.00 C ATOM 451 O THR A 987 -2.589 4.213 1.011 1.00 0.00 O ATOM 452 CB THR A 987 -2.728 5.034 4.256 1.00 0.00 C ATOM 453 OG1 THR A 987 -1.838 5.670 5.181 1.00 0.00 O ATOM 454 CG2 THR A 987 -3.788 4.259 5.025 1.00 0.00 C ATOM 0 H THR A 987 -0.799 5.411 2.139 1.00 0.00 H new ATOM 0 HA THR A 987 -1.667 3.195 3.862 1.00 0.00 H new ATOM 0 HB THR A 987 -3.223 5.789 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 987 -2.349 6.262 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 987 -4.333 4.939 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 987 -4.482 3.797 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 987 -3.309 3.485 5.625 1.00 0.00 H new ATOM 462 N TYR A 988 -3.799 2.881 2.363 1.00 0.00 N ATOM 463 CA TYR A 988 -4.705 2.442 1.307 1.00 0.00 C ATOM 464 C TYR A 988 -6.153 2.749 1.674 1.00 0.00 C ATOM 465 O TYR A 988 -6.487 2.897 2.849 1.00 0.00 O ATOM 466 CB TYR A 988 -4.538 0.942 1.055 1.00 0.00 C ATOM 467 CG TYR A 988 -3.149 0.553 0.602 1.00 0.00 C ATOM 468 CD1 TYR A 988 -2.139 0.314 1.524 1.00 0.00 C ATOM 469 CD2 TYR A 988 -2.850 0.422 -0.748 1.00 0.00 C ATOM 470 CE1 TYR A 988 -0.868 -0.042 1.114 1.00 0.00 C ATOM 471 CE2 TYR A 988 -1.581 0.065 -1.166 1.00 0.00 C ATOM 472 CZ TYR A 988 -0.595 -0.166 -0.231 1.00 0.00 C ATOM 473 OH TYR A 988 0.669 -0.521 -0.643 1.00 0.00 O ATOM 0 H TYR A 988 -3.995 2.479 3.280 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.455 2.986 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -4.777 0.400 1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.258 0.627 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -2.350 0.408 2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -3.621 0.602 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -0.093 -0.222 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.364 -0.032 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 988 0.611 -1.283 -1.256 1.00 0.00 H new ATOM 483 N SER A 989 -7.008 2.845 0.661 1.00 0.00 N ATOM 484 CA SER A 989 -8.416 3.157 0.880 1.00 0.00 C ATOM 485 C SER A 989 -9.307 2.357 -0.065 1.00 0.00 C ATOM 486 O SER A 989 -8.820 1.659 -0.955 1.00 0.00 O ATOM 487 CB SER A 989 -8.665 4.654 0.686 1.00 0.00 C ATOM 488 OG SER A 989 -10.004 4.995 1.001 1.00 0.00 O ATOM 0 H SER A 989 -6.752 2.712 -0.317 1.00 0.00 H new ATOM 0 HA SER A 989 -8.666 2.882 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 989 -7.983 5.224 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 989 -8.449 4.931 -0.346 1.00 0.00 H new ATOM 0 HG SER A 989 -10.136 5.957 0.870 1.00 0.00 H new ATOM 494 N CYS A 990 -10.616 2.466 0.137 1.00 0.00 N ATOM 495 CA CYS A 990 -11.584 1.761 -0.694 1.00 0.00 C ATOM 496 C CYS A 990 -12.953 2.430 -0.607 1.00 0.00 C ATOM 497 O CYS A 990 -13.163 3.327 0.210 1.00 0.00 O ATOM 498 CB CYS A 990 -11.686 0.297 -0.258 1.00 0.00 C ATOM 499 SG CYS A 990 -12.677 -0.752 -1.371 1.00 0.00 S ATOM 0 H CYS A 990 -11.032 3.038 0.872 1.00 0.00 H new ATOM 0 HA CYS A 990 -11.244 1.800 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -10.681 -0.119 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -12.120 0.257 0.741 1.00 0.00 H new ATOM 504 N THR A 991 -13.883 1.987 -1.448 1.00 0.00 N ATOM 505 CA THR A 991 -15.235 2.518 -1.443 1.00 0.00 C ATOM 506 C THR A 991 -15.877 2.379 -0.066 1.00 0.00 C ATOM 507 O THR A 991 -15.602 1.427 0.666 1.00 0.00 O ATOM 508 CB THR A 991 -16.106 1.798 -2.482 1.00 0.00 C ATOM 509 OG1 THR A 991 -15.907 0.382 -2.395 1.00 0.00 O ATOM 510 CG2 THR A 991 -15.782 2.278 -3.890 1.00 0.00 C ATOM 0 H THR A 991 -13.720 1.258 -2.143 1.00 0.00 H new ATOM 0 HA THR A 991 -15.169 3.576 -1.697 1.00 0.00 H new ATOM 0 HB THR A 991 -17.150 2.030 -2.269 1.00 0.00 H new ATOM 0 HG1 THR A 991 -16.468 -0.069 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 991 -16.412 1.753 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 991 -15.967 3.350 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 991 -14.734 2.076 -4.111 1.00 0.00 H new ATOM 518 N THR A 992 -16.726 3.341 0.284 1.00 0.00 N ATOM 519 CA THR A 992 -17.370 3.356 1.592 1.00 0.00 C ATOM 520 C THR A 992 -18.228 2.112 1.796 1.00 0.00 C ATOM 521 O THR A 992 -19.190 1.881 1.061 1.00 0.00 O ATOM 522 CB THR A 992 -18.250 4.608 1.769 1.00 0.00 C ATOM 523 OG1 THR A 992 -17.466 5.790 1.568 1.00 0.00 O ATOM 524 CG2 THR A 992 -18.874 4.642 3.157 1.00 0.00 C ATOM 0 H THR A 992 -16.984 4.121 -0.321 1.00 0.00 H new ATOM 0 HA THR A 992 -16.575 3.371 2.337 1.00 0.00 H new ATOM 0 HB THR A 992 -19.049 4.569 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 992 -18.033 6.582 1.680 1.00 0.00 H new ATOM 0 HG21 THR A 992 -19.490 5.535 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 992 -19.493 3.756 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 992 -18.086 4.659 3.910 1.00 0.00 H new ATOM 532 N GLY A 993 -17.872 1.314 2.798 1.00 0.00 N ATOM 533 CA GLY A 993 -18.607 0.092 3.071 1.00 0.00 C ATOM 534 C GLY A 993 -17.756 -1.149 2.891 1.00 0.00 C ATOM 535 O GLY A 993 -18.167 -2.251 3.251 1.00 0.00 O ATOM 0 H GLY A 993 -17.088 1.492 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -18.989 0.122 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -19.471 0.036 2.409 1.00 0.00 H new ATOM 539 N HIS A 994 -16.563 -0.968 2.331 1.00 0.00 N ATOM 540 CA HIS A 994 -15.649 -2.080 2.097 1.00 0.00 C ATOM 541 C HIS A 994 -14.479 -2.035 3.074 1.00 0.00 C ATOM 542 O HIS A 994 -13.722 -1.065 3.103 1.00 0.00 O ATOM 543 CB HIS A 994 -15.127 -2.043 0.659 1.00 0.00 C ATOM 544 CG HIS A 994 -16.208 -2.105 -0.375 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.316 -1.284 -0.358 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.346 -2.897 -1.465 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.090 -1.570 -1.391 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.523 -2.544 -2.078 1.00 0.00 N ATOM 0 H HIS A 994 -16.207 -0.060 2.031 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.197 -3.009 2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.550 -1.130 0.515 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -14.444 -2.879 0.508 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -15.658 -3.663 -1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -19.026 -1.089 -1.632 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -17.898 -2.966 -2.927 1.00 0.00 H new ATOM 557 N ARG A 995 -14.333 -3.090 3.871 1.00 0.00 N ATOM 558 CA ARG A 995 -13.245 -3.169 4.839 1.00 0.00 C ATOM 559 C ARG A 995 -11.961 -3.652 4.172 1.00 0.00 C ATOM 560 O ARG A 995 -11.988 -4.540 3.321 1.00 0.00 O ATOM 561 CB ARG A 995 -13.621 -4.106 5.989 1.00 0.00 C ATOM 562 CG ARG A 995 -12.581 -4.161 7.098 1.00 0.00 C ATOM 563 CD ARG A 995 -12.421 -2.812 7.782 1.00 0.00 C ATOM 564 NE ARG A 995 -11.424 -2.853 8.849 1.00 0.00 N ATOM 565 CZ ARG A 995 -11.101 -1.802 9.597 1.00 0.00 C ATOM 566 NH1 ARG A 995 -11.693 -0.632 9.395 1.00 0.00 N ATOM 567 NH2 ARG A 995 -10.185 -1.920 10.548 1.00 0.00 N ATOM 0 H ARG A 995 -14.953 -3.900 3.865 1.00 0.00 H new ATOM 0 HA ARG A 995 -13.074 -2.169 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.573 -3.785 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -13.771 -5.111 5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -12.872 -4.911 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -11.623 -4.476 6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -12.131 -2.064 7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -13.380 -2.499 8.194 1.00 0.00 H new ATOM 0 HE ARG A 995 -10.949 -3.737 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -12.398 -0.537 8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -11.443 0.172 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -9.727 -2.818 10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -9.938 -1.113 11.121 1.00 0.00 H new ATOM 581 N LEU A 996 -10.838 -3.054 4.560 1.00 0.00 N ATOM 582 CA LEU A 996 -9.548 -3.393 3.970 1.00 0.00 C ATOM 583 C LEU A 996 -9.096 -4.776 4.426 1.00 0.00 C ATOM 584 O LEU A 996 -8.805 -4.988 5.603 1.00 0.00 O ATOM 585 CB LEU A 996 -8.502 -2.341 4.354 1.00 0.00 C ATOM 586 CG LEU A 996 -7.288 -2.241 3.422 1.00 0.00 C ATOM 587 CD1 LEU A 996 -6.421 -3.489 3.520 1.00 0.00 C ATOM 588 CD2 LEU A 996 -7.734 -2.009 1.986 1.00 0.00 C ATOM 0 H LEU A 996 -10.796 -2.333 5.280 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.655 -3.407 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.990 -1.367 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -8.147 -2.559 5.361 1.00 0.00 H new ATOM 0 HG LEU A 996 -6.688 -1.388 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -5.567 -3.392 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -6.067 -3.606 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -7.008 -4.363 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -6.859 -1.941 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -8.361 -2.839 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -8.302 -1.081 1.927 1.00 0.00 H new ATOM 600 N ILE A 997 -9.033 -5.713 3.484 1.00 0.00 N ATOM 601 CA ILE A 997 -8.585 -7.068 3.784 1.00 0.00 C ATOM 602 C ILE A 997 -7.062 -7.147 3.782 1.00 0.00 C ATOM 603 O ILE A 997 -6.458 -7.732 2.884 1.00 0.00 O ATOM 604 CB ILE A 997 -9.151 -8.082 2.770 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.664 -7.901 2.628 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.817 -9.506 3.196 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.437 -8.189 3.899 1.00 0.00 C ATOM 0 H ILE A 997 -9.286 -5.558 2.508 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.957 -7.320 4.777 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.689 -7.900 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -10.870 -6.878 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -11.026 -8.558 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -9.224 -10.208 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -7.735 -9.625 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -9.253 -9.704 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.502 -8.039 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -11.262 -9.220 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -11.104 -7.515 4.688 1.00 0.00 H new ATOM 619 N GLY A 998 -6.448 -6.543 4.794 1.00 0.00 N ATOM 620 CA GLY A 998 -5.001 -6.532 4.886 1.00 0.00 C ATOM 621 C GLY A 998 -4.503 -5.823 6.129 1.00 0.00 C ATOM 622 O GLY A 998 -4.824 -6.218 7.250 1.00 0.00 O ATOM 0 H GLY A 998 -6.928 -6.060 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.632 -7.558 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.588 -6.044 4.003 1.00 0.00 H new ATOM 626 N HIS A 999 -3.708 -4.775 5.932 1.00 0.00 N ATOM 627 CA HIS A 999 -3.114 -4.045 7.039 1.00 0.00 C ATOM 628 C HIS A 999 -3.501 -2.569 6.993 1.00 0.00 C ATOM 629 O HIS A 999 -3.263 -1.825 7.944 1.00 0.00 O ATOM 630 CB HIS A 999 -1.594 -4.185 6.997 1.00 0.00 C ATOM 631 CG HIS A 999 -1.062 -5.250 7.905 1.00 0.00 C ATOM 632 ND1 HIS A 999 -0.483 -4.978 9.128 1.00 0.00 N ATOM 633 CD2 HIS A 999 -1.024 -6.596 7.766 1.00 0.00 C ATOM 634 CE1 HIS A 999 -0.110 -6.109 9.698 1.00 0.00 C ATOM 635 NE2 HIS A 999 -0.427 -7.106 8.893 1.00 0.00 N ATOM 0 H HIS A 999 -3.462 -4.414 5.010 1.00 0.00 H new ATOM 0 HA HIS A 999 -3.492 -4.468 7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -1.286 -4.405 5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -1.143 -3.230 7.268 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -1.394 -7.164 6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 999 0.373 -6.203 10.660 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -0.256 -8.094 9.078 1.00 0.00 H new ATOM 644 N SER A1000 -4.092 -2.157 5.874 1.00 0.00 N ATOM 645 CA SER A1000 -4.479 -0.764 5.675 1.00 0.00 C ATOM 646 C SER A1000 -3.261 0.149 5.750 1.00 0.00 C ATOM 647 O SER A1000 -3.375 1.327 6.090 1.00 0.00 O ATOM 648 CB SER A1000 -5.517 -0.341 6.717 1.00 0.00 C ATOM 649 OG SER A1000 -6.681 -1.146 6.634 1.00 0.00 O ATOM 0 H SER A1000 -4.314 -2.770 5.090 1.00 0.00 H new ATOM 0 HA SER A1000 -4.921 -0.673 4.683 1.00 0.00 H new ATOM 0 HB2 SER A1000 -5.087 -0.420 7.716 1.00 0.00 H new ATOM 0 HB3 SER A1000 -5.783 0.705 6.566 1.00 0.00 H new ATOM 0 HG SER A1000 -7.328 -0.857 7.311 1.00 0.00 H new ATOM 655 N SER A1001 -2.094 -0.409 5.440 1.00 0.00 N ATOM 656 CA SER A1001 -0.841 0.327 5.552 1.00 0.00 C ATOM 657 C SER A1001 0.268 -0.370 4.770 1.00 0.00 C ATOM 658 O SER A1001 0.087 -1.483 4.277 1.00 0.00 O ATOM 659 CB SER A1001 -0.442 0.459 7.021 1.00 0.00 C ATOM 660 OG SER A1001 -0.115 -0.803 7.578 1.00 0.00 O ATOM 0 H SER A1001 -1.991 -1.368 5.109 1.00 0.00 H new ATOM 0 HA SER A1001 -0.987 1.321 5.130 1.00 0.00 H new ATOM 0 HB2 SER A1001 0.412 1.131 7.110 1.00 0.00 H new ATOM 0 HB3 SER A1001 -1.261 0.907 7.584 1.00 0.00 H new ATOM 0 HG SER A1001 0.138 -0.690 8.518 1.00 0.00 H new ATOM 666 N ALA A1002 1.417 0.291 4.664 1.00 0.00 N ATOM 667 CA ALA A1002 2.559 -0.271 3.951 1.00 0.00 C ATOM 668 C ALA A1002 3.874 0.266 4.506 1.00 0.00 C ATOM 669 O ALA A1002 3.902 1.303 5.170 1.00 0.00 O ATOM 670 CB ALA A1002 2.452 0.027 2.464 1.00 0.00 C ATOM 0 H ALA A1002 1.582 1.215 5.062 1.00 0.00 H new ATOM 0 HA ALA A1002 2.548 -1.351 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.311 -0.398 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.536 -0.412 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.433 1.106 2.310 1.00 0.00 H new ATOM 676 N GLU A1003 4.963 -0.443 4.223 1.00 0.00 N ATOM 677 CA GLU A1003 6.285 -0.022 4.668 1.00 0.00 C ATOM 678 C GLU A1003 7.347 -0.384 3.633 1.00 0.00 C ATOM 679 O GLU A1003 7.615 -1.561 3.390 1.00 0.00 O ATOM 680 CB GLU A1003 6.625 -0.669 6.012 1.00 0.00 C ATOM 681 CG GLU A1003 7.971 -0.238 6.573 1.00 0.00 C ATOM 682 CD GLU A1003 8.275 -0.878 7.914 1.00 0.00 C ATOM 683 OE1 GLU A1003 8.877 -1.972 7.926 1.00 0.00 O ATOM 684 OE2 GLU A1003 7.911 -0.285 8.951 1.00 0.00 O ATOM 0 H GLU A1003 4.955 -1.311 3.688 1.00 0.00 H new ATOM 0 HA GLU A1003 6.273 1.061 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.845 -0.422 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.620 -1.753 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.757 -0.499 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.985 0.847 6.680 1.00 0.00 H new ATOM 691 N CYS A1004 7.944 0.636 3.024 1.00 0.00 N ATOM 692 CA CYS A1004 8.970 0.429 2.008 1.00 0.00 C ATOM 693 C CYS A1004 10.191 -0.268 2.603 1.00 0.00 C ATOM 694 O CYS A1004 11.031 0.367 3.241 1.00 0.00 O ATOM 695 CB CYS A1004 9.381 1.767 1.389 1.00 0.00 C ATOM 696 SG CYS A1004 10.637 1.626 0.076 1.00 0.00 S ATOM 0 H CYS A1004 7.734 1.615 3.217 1.00 0.00 H new ATOM 0 HA CYS A1004 8.553 -0.210 1.229 1.00 0.00 H new ATOM 0 HB2 CYS A1004 8.495 2.252 0.979 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.765 2.416 2.176 1.00 0.00 H new ATOM 701 N ILE A1005 10.280 -1.576 2.390 1.00 0.00 N ATOM 702 CA ILE A1005 11.390 -2.363 2.913 1.00 0.00 C ATOM 703 C ILE A1005 12.106 -3.117 1.797 1.00 0.00 C ATOM 704 O ILE A1005 11.470 -3.649 0.885 1.00 0.00 O ATOM 705 CB ILE A1005 10.914 -3.371 3.977 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.843 -4.298 3.394 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.380 -2.636 5.197 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.413 -5.399 4.338 1.00 0.00 C ATOM 0 H ILE A1005 9.596 -2.114 1.858 1.00 0.00 H new ATOM 0 HA ILE A1005 12.084 -1.660 3.375 1.00 0.00 H new ATOM 0 HB ILE A1005 11.763 -3.981 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.971 -3.704 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A1005 10.223 -4.746 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A1005 10.047 -3.360 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A1005 11.169 -2.015 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.541 -2.005 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.653 -6.015 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A1005 10.274 -6.017 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A1005 9.002 -4.959 5.247 1.00 0.00 H new ATOM 720 N LEU A1006 13.433 -3.162 1.875 1.00 0.00 N ATOM 721 CA LEU A1006 14.238 -3.855 0.877 1.00 0.00 C ATOM 722 C LEU A1006 14.368 -5.336 1.219 1.00 0.00 C ATOM 723 O LEU A1006 14.798 -5.694 2.315 1.00 0.00 O ATOM 724 CB LEU A1006 15.628 -3.221 0.774 1.00 0.00 C ATOM 725 CG LEU A1006 15.643 -1.730 0.425 1.00 0.00 C ATOM 726 CD1 LEU A1006 15.314 -0.890 1.651 1.00 0.00 C ATOM 727 CD2 LEU A1006 16.996 -1.331 -0.143 1.00 0.00 C ATOM 0 H LEU A1006 13.974 -2.725 2.622 1.00 0.00 H new ATOM 0 HA LEU A1006 13.734 -3.762 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A1006 16.144 -3.360 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A1006 16.200 -3.760 0.019 1.00 0.00 H new ATOM 0 HG LEU A1006 14.881 -1.547 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A1006 15.330 0.166 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A1006 14.323 -1.156 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A1006 16.053 -1.078 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A1006 16.990 -0.268 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A1006 17.773 -1.530 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A1006 17.196 -1.908 -1.046 1.00 0.00 H new ATOM 739 N SER A1007 13.997 -6.192 0.272 1.00 0.00 N ATOM 740 CA SER A1007 14.080 -7.635 0.470 1.00 0.00 C ATOM 741 C SER A1007 15.398 -8.182 -0.068 1.00 0.00 C ATOM 742 O SER A1007 15.534 -9.384 -0.304 1.00 0.00 O ATOM 743 CB SER A1007 12.905 -8.335 -0.217 1.00 0.00 C ATOM 744 OG SER A1007 12.909 -8.089 -1.612 1.00 0.00 O ATOM 0 H SER A1007 13.636 -5.912 -0.640 1.00 0.00 H new ATOM 0 HA SER A1007 14.035 -7.833 1.541 1.00 0.00 H new ATOM 0 HB2 SER A1007 12.960 -9.408 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A1007 11.967 -7.985 0.214 1.00 0.00 H new ATOM 0 HG SER A1007 12.908 -7.122 -1.774 1.00 0.00 H new ATOM 750 N GLY A1008 16.368 -7.293 -0.262 1.00 0.00 N ATOM 751 CA GLY A1008 17.659 -7.704 -0.779 1.00 0.00 C ATOM 752 C GLY A1008 18.129 -6.829 -1.925 1.00 0.00 C ATOM 753 O GLY A1008 18.811 -5.828 -1.710 1.00 0.00 O ATOM 0 H GLY A1008 16.282 -6.295 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A1008 18.395 -7.673 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A1008 17.599 -8.739 -1.116 1.00 0.00 H new ATOM 757 N ASN A1009 17.760 -7.208 -3.145 1.00 0.00 N ATOM 758 CA ASN A1009 18.134 -6.443 -4.329 1.00 0.00 C ATOM 759 C ASN A1009 16.909 -5.789 -4.961 1.00 0.00 C ATOM 760 O ASN A1009 16.987 -5.230 -6.055 1.00 0.00 O ATOM 761 CB ASN A1009 18.828 -7.348 -5.348 1.00 0.00 C ATOM 762 CG ASN A1009 20.094 -7.975 -4.797 1.00 0.00 C ATOM 763 OD1 ASN A1009 20.063 -9.061 -4.220 1.00 0.00 O ATOM 764 ND2 ASN A1009 21.219 -7.290 -4.973 1.00 0.00 N ATOM 0 H ASN A1009 17.203 -8.040 -3.339 1.00 0.00 H new ATOM 0 HA ASN A1009 18.825 -5.658 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A1009 18.141 -8.135 -5.658 1.00 0.00 H new ATOM 0 HB3 ASN A1009 19.071 -6.768 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A1009 22.102 -7.662 -4.624 1.00 0.00 H new ATOM 0 HD22 ASN A1009 21.199 -6.393 -5.458 1.00 0.00 H new ATOM 771 N THR A1010 15.780 -5.864 -4.263 1.00 0.00 N ATOM 772 CA THR A1010 14.538 -5.276 -4.752 1.00 0.00 C ATOM 773 C THR A1010 13.670 -4.789 -3.596 1.00 0.00 C ATOM 774 O THR A1010 13.272 -5.574 -2.735 1.00 0.00 O ATOM 775 CB THR A1010 13.734 -6.282 -5.597 1.00 0.00 C ATOM 776 OG1 THR A1010 14.538 -6.766 -6.679 1.00 0.00 O ATOM 777 CG2 THR A1010 12.470 -5.639 -6.149 1.00 0.00 C ATOM 0 H THR A1010 15.700 -6.326 -3.357 1.00 0.00 H new ATOM 0 HA THR A1010 14.814 -4.428 -5.379 1.00 0.00 H new ATOM 0 HB THR A1010 13.449 -7.115 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A1010 14.020 -7.406 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A1010 11.919 -6.369 -6.742 1.00 0.00 H new ATOM 0 HG22 THR A1010 11.846 -5.297 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A1010 12.738 -4.790 -6.777 1.00 0.00 H new ATOM 785 N ALA A1011 13.383 -3.492 -3.582 1.00 0.00 N ATOM 786 CA ALA A1011 12.567 -2.900 -2.529 1.00 0.00 C ATOM 787 C ALA A1011 11.092 -2.899 -2.910 1.00 0.00 C ATOM 788 O ALA A1011 10.728 -2.508 -4.020 1.00 0.00 O ATOM 789 CB ALA A1011 13.038 -1.485 -2.231 1.00 0.00 C ATOM 0 H ALA A1011 13.704 -2.830 -4.289 1.00 0.00 H new ATOM 0 HA ALA A1011 12.681 -3.507 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A1011 12.420 -1.054 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A1011 14.078 -1.509 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.954 -0.876 -3.131 1.00 0.00 H new ATOM 795 N HIS A1012 10.247 -3.339 -1.983 1.00 0.00 N ATOM 796 CA HIS A1012 8.808 -3.383 -2.218 1.00 0.00 C ATOM 797 C HIS A1012 8.039 -3.127 -0.927 1.00 0.00 C ATOM 798 O HIS A1012 8.628 -3.038 0.150 1.00 0.00 O ATOM 799 CB HIS A1012 8.408 -4.739 -2.805 1.00 0.00 C ATOM 800 CG HIS A1012 8.760 -5.901 -1.928 1.00 0.00 C ATOM 801 ND1 HIS A1012 7.846 -6.529 -1.108 1.00 0.00 N ATOM 802 CD2 HIS A1012 9.934 -6.552 -1.748 1.00 0.00 C ATOM 803 CE1 HIS A1012 8.442 -7.515 -0.462 1.00 0.00 C ATOM 804 NE2 HIS A1012 9.709 -7.550 -0.833 1.00 0.00 N ATOM 0 H HIS A1012 10.534 -3.670 -1.062 1.00 0.00 H new ATOM 0 HA HIS A1012 8.556 -2.598 -2.931 1.00 0.00 H new ATOM 0 HB2 HIS A1012 7.333 -4.744 -2.986 1.00 0.00 H new ATOM 0 HB3 HIS A1012 8.895 -4.864 -3.772 1.00 0.00 H new ATOM 0 HD1 HIS A1012 6.863 -6.272 -1.015 1.00 0.00 H new ATOM 0 HD2 HIS A1012 10.872 -6.328 -2.234 1.00 0.00 H new ATOM 0 HE1 HIS A1012 7.973 -8.179 0.249 1.00 0.00 H new ATOM 813 N TRP A1013 6.721 -3.005 -1.044 1.00 0.00 N ATOM 814 CA TRP A1013 5.871 -2.736 0.111 1.00 0.00 C ATOM 815 C TRP A1013 5.505 -4.031 0.826 1.00 0.00 C ATOM 816 O TRP A1013 5.148 -5.024 0.191 1.00 0.00 O ATOM 817 CB TRP A1013 4.605 -1.997 -0.325 1.00 0.00 C ATOM 818 CG TRP A1013 4.887 -0.762 -1.124 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.824 -0.633 -2.481 1.00 0.00 C ATOM 820 CD2 TRP A1013 5.286 0.517 -0.616 1.00 0.00 C ATOM 821 NE1 TRP A1013 5.157 0.649 -2.849 1.00 0.00 N ATOM 822 CE2 TRP A1013 5.444 1.374 -1.722 1.00 0.00 C ATOM 823 CE3 TRP A1013 5.524 1.021 0.666 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.829 2.705 -1.585 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.906 2.343 0.802 1.00 0.00 C ATOM 826 CH2 TRP A1013 6.055 3.171 -0.318 1.00 0.00 C ATOM 0 H TRP A1013 6.218 -3.088 -1.927 1.00 0.00 H new ATOM 0 HA TRP A1013 6.426 -2.106 0.806 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.985 -2.670 -0.916 1.00 0.00 H new ATOM 0 HB3 TRP A1013 4.028 -1.726 0.559 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.552 -1.423 -3.166 1.00 0.00 H new ATOM 0 HE1 TRP A1013 5.186 1.003 -3.805 1.00 0.00 H new ATOM 0 HE3 TRP A1013 5.412 0.389 1.535 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.945 3.346 -2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 6.092 2.744 1.787 1.00 0.00 H new ATOM 0 HH2 TRP A1013 6.355 4.199 -0.179 1.00 0.00 H new ATOM 837 N SER A1014 5.624 -4.020 2.150 1.00 0.00 N ATOM 838 CA SER A1014 5.474 -5.233 2.945 1.00 0.00 C ATOM 839 C SER A1014 4.047 -5.769 2.876 1.00 0.00 C ATOM 840 O SER A1014 3.792 -6.924 3.217 1.00 0.00 O ATOM 841 CB SER A1014 5.856 -4.963 4.401 1.00 0.00 C ATOM 842 OG SER A1014 5.714 -6.129 5.193 1.00 0.00 O ATOM 0 H SER A1014 5.824 -3.182 2.696 1.00 0.00 H new ATOM 0 HA SER A1014 6.143 -5.987 2.530 1.00 0.00 H new ATOM 0 HB2 SER A1014 6.886 -4.610 4.450 1.00 0.00 H new ATOM 0 HB3 SER A1014 5.228 -4.168 4.803 1.00 0.00 H new ATOM 0 HG SER A1014 5.062 -6.730 4.776 1.00 0.00 H new ATOM 848 N THR A1015 3.118 -4.923 2.441 1.00 0.00 N ATOM 849 CA THR A1015 1.710 -5.300 2.387 1.00 0.00 C ATOM 850 C THR A1015 1.345 -5.891 1.029 1.00 0.00 C ATOM 851 O THR A1015 1.759 -5.383 -0.014 1.00 0.00 O ATOM 852 CB THR A1015 0.794 -4.096 2.673 1.00 0.00 C ATOM 853 OG1 THR A1015 -0.579 -4.500 2.616 1.00 0.00 O ATOM 854 CG2 THR A1015 1.039 -2.977 1.673 1.00 0.00 C ATOM 0 H THR A1015 3.314 -3.974 2.122 1.00 0.00 H new ATOM 0 HA THR A1015 1.558 -6.055 3.159 1.00 0.00 H new ATOM 0 HB THR A1015 1.023 -3.725 3.672 1.00 0.00 H new ATOM 0 HG1 THR A1015 -1.155 -3.729 2.801 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.380 -2.138 1.897 1.00 0.00 H new ATOM 0 HG22 THR A1015 2.077 -2.650 1.739 1.00 0.00 H new ATOM 0 HG23 THR A1015 0.836 -3.339 0.665 1.00 0.00 H new ATOM 862 N LYS A1016 0.551 -6.958 1.051 1.00 0.00 N ATOM 863 CA LYS A1016 0.038 -7.557 -0.175 1.00 0.00 C ATOM 864 C LYS A1016 -1.087 -6.705 -0.760 1.00 0.00 C ATOM 865 O LYS A1016 -1.716 -5.926 -0.043 1.00 0.00 O ATOM 866 CB LYS A1016 -0.467 -8.981 0.095 1.00 0.00 C ATOM 867 CG LYS A1016 -1.761 -9.039 0.895 1.00 0.00 C ATOM 868 CD LYS A1016 -1.535 -8.699 2.359 1.00 0.00 C ATOM 869 CE LYS A1016 -2.826 -8.788 3.157 1.00 0.00 C ATOM 870 NZ LYS A1016 -3.414 -10.155 3.111 1.00 0.00 N ATOM 0 H LYS A1016 0.249 -7.425 1.906 1.00 0.00 H new ATOM 0 HA LYS A1016 0.852 -7.604 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -0.618 -9.488 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A1016 0.305 -9.533 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -2.484 -8.344 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -2.193 -10.037 0.816 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -0.797 -9.380 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -1.124 -7.693 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -2.632 -8.511 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -3.546 -8.070 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -4.147 -10.242 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -3.838 -10.319 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -2.668 -10.860 3.282 1.00 0.00 H new ATOM 884 N PRO A1017 -1.351 -6.838 -2.074 1.00 0.00 N ATOM 885 CA PRO A1017 -2.391 -6.061 -2.757 1.00 0.00 C ATOM 886 C PRO A1017 -3.733 -6.123 -2.029 1.00 0.00 C ATOM 887 O PRO A1017 -4.403 -7.155 -2.036 1.00 0.00 O ATOM 888 CB PRO A1017 -2.500 -6.723 -4.142 1.00 0.00 C ATOM 889 CG PRO A1017 -1.709 -7.986 -4.051 1.00 0.00 C ATOM 890 CD PRO A1017 -0.667 -7.751 -2.998 1.00 0.00 C ATOM 0 HA PRO A1017 -2.137 -5.002 -2.802 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -3.540 -6.930 -4.396 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.106 -6.070 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -2.348 -8.828 -3.785 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -1.248 -8.226 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.370 -8.678 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.237 -7.306 -3.414 1.00 0.00 H new ATOM 898 N PRO A1018 -4.131 -5.016 -1.376 1.00 0.00 N ATOM 899 CA PRO A1018 -5.355 -4.970 -0.565 1.00 0.00 C ATOM 900 C PRO A1018 -6.602 -5.317 -1.370 1.00 0.00 C ATOM 901 O PRO A1018 -6.666 -5.069 -2.574 1.00 0.00 O ATOM 902 CB PRO A1018 -5.419 -3.516 -0.086 1.00 0.00 C ATOM 903 CG PRO A1018 -4.021 -3.013 -0.190 1.00 0.00 C ATOM 904 CD PRO A1018 -3.415 -3.728 -1.363 1.00 0.00 C ATOM 0 HA PRO A1018 -5.327 -5.698 0.245 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -6.097 -2.927 -0.703 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -5.785 -3.454 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.004 -1.933 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -3.463 -3.218 0.724 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -3.562 -3.176 -2.291 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.341 -3.865 -1.240 1.00 0.00 H new ATOM 912 N ILE A1019 -7.595 -5.888 -0.693 1.00 0.00 N ATOM 913 CA ILE A1019 -8.854 -6.249 -1.335 1.00 0.00 C ATOM 914 C ILE A1019 -10.032 -5.588 -0.623 1.00 0.00 C ATOM 915 O ILE A1019 -9.896 -5.100 0.499 1.00 0.00 O ATOM 916 CB ILE A1019 -9.063 -7.777 -1.342 1.00 0.00 C ATOM 917 CG1 ILE A1019 -7.755 -8.497 -1.683 1.00 0.00 C ATOM 918 CG2 ILE A1019 -10.157 -8.162 -2.328 1.00 0.00 C ATOM 919 CD1 ILE A1019 -7.215 -8.170 -3.060 1.00 0.00 C ATOM 0 H ILE A1019 -7.551 -6.111 0.301 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.804 -5.895 -2.365 1.00 0.00 H new ATOM 0 HB ILE A1019 -9.375 -8.086 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -7.004 -8.237 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -7.915 -9.573 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -10.290 -9.244 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -11.091 -7.679 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.874 -7.839 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -6.288 -8.718 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -7.947 -8.456 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -7.021 -7.100 -3.130 1.00 0.00 H new ATOM 931 N CYS A1020 -11.188 -5.584 -1.279 1.00 0.00 N ATOM 932 CA CYS A1020 -12.402 -5.028 -0.690 1.00 0.00 C ATOM 933 C CYS A1020 -13.519 -6.067 -0.678 1.00 0.00 C ATOM 934 O CYS A1020 -13.952 -6.538 -1.730 1.00 0.00 O ATOM 935 CB CYS A1020 -12.845 -3.784 -1.463 1.00 0.00 C ATOM 936 SG CYS A1020 -11.592 -2.462 -1.520 1.00 0.00 S ATOM 0 H CYS A1020 -11.310 -5.960 -2.219 1.00 0.00 H new ATOM 0 HA CYS A1020 -12.185 -4.743 0.340 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -13.099 -4.074 -2.483 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -13.754 -3.390 -1.008 1.00 0.00 H new ATOM 941 N GLN A1021 -13.957 -6.445 0.520 1.00 0.00 N ATOM 942 CA GLN A1021 -14.879 -7.565 0.678 1.00 0.00 C ATOM 943 C GLN A1021 -16.325 -7.127 0.464 1.00 0.00 C ATOM 944 O GLN A1021 -17.207 -7.959 0.256 1.00 0.00 O ATOM 945 CB GLN A1021 -14.724 -8.188 2.068 1.00 0.00 C ATOM 946 CG GLN A1021 -15.175 -7.276 3.199 1.00 0.00 C ATOM 947 CD GLN A1021 -15.054 -7.935 4.559 1.00 0.00 C ATOM 948 OE1 GLN A1021 -14.835 -7.127 5.590 1.00 0.00 O flip ATOM 949 NE2 GLN A1021 -15.158 -9.156 4.683 1.00 0.00 N flip ATOM 0 H GLN A1021 -13.689 -5.993 1.394 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.633 -8.309 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -15.298 -9.114 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -13.679 -8.455 2.223 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -14.578 -6.364 3.186 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -16.211 -6.981 3.033 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -15.326 -9.739 3.863 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -15.076 -9.584 5.605 1.00 0.00 H new ATOM 958 N ARG A1022 -16.556 -5.817 0.529 1.00 0.00 N ATOM 959 CA ARG A1022 -17.905 -5.266 0.418 1.00 0.00 C ATOM 960 C ARG A1022 -18.785 -5.741 1.569 1.00 0.00 C ATOM 961 O ARG A1022 -19.080 -6.930 1.693 1.00 0.00 O ATOM 962 CB ARG A1022 -18.537 -5.653 -0.922 1.00 0.00 C ATOM 963 CG ARG A1022 -19.934 -5.088 -1.122 1.00 0.00 C ATOM 964 CD ARG A1022 -20.504 -5.476 -2.476 1.00 0.00 C ATOM 965 NE ARG A1022 -20.597 -6.925 -2.635 1.00 0.00 N ATOM 966 CZ ARG A1022 -20.957 -7.519 -3.769 1.00 0.00 C ATOM 967 NH1 ARG A1022 -21.253 -6.793 -4.839 1.00 0.00 N ATOM 968 NH2 ARG A1022 -21.020 -8.842 -3.834 1.00 0.00 N ATOM 0 H ARG A1022 -15.826 -5.117 0.658 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.828 -4.180 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -17.894 -5.306 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -18.580 -6.740 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.591 -5.452 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -19.904 -4.002 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -21.494 -5.034 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -19.876 -5.064 -3.266 1.00 0.00 H new ATOM 0 HE ARG A1022 -20.374 -7.513 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -21.205 -5.775 -4.794 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -21.529 -7.253 -5.707 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -20.792 -9.404 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -21.296 -9.297 -4.704 1.00 0.00 H new ATOM 982 N ILE A1023 -19.194 -4.803 2.418 1.00 0.00 N ATOM 983 CA ILE A1023 -19.980 -5.132 3.600 1.00 0.00 C ATOM 984 C ILE A1023 -21.379 -4.524 3.515 1.00 0.00 C ATOM 985 O ILE A1023 -21.527 -3.320 3.303 1.00 0.00 O ATOM 986 CB ILE A1023 -19.290 -4.634 4.886 1.00 0.00 C ATOM 987 CG1 ILE A1023 -17.861 -5.175 4.964 1.00 0.00 C ATOM 988 CG2 ILE A1023 -20.090 -5.050 6.112 1.00 0.00 C ATOM 989 CD1 ILE A1023 -17.073 -4.643 6.141 1.00 0.00 C ATOM 0 H ILE A1023 -18.993 -3.809 2.308 1.00 0.00 H new ATOM 0 HA ILE A1023 -20.062 -6.218 3.638 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.245 -3.545 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -17.896 -6.263 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -17.336 -4.923 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -19.590 -4.691 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -21.090 -4.620 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -20.163 -6.137 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -16.070 -5.070 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -17.005 -3.557 6.073 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -17.575 -4.918 7.069 1.00 0.00 H new ATOM 1001 N PRO A1024 -22.427 -5.353 3.683 1.00 0.00 N ATOM 1002 CA PRO A1024 -23.818 -4.888 3.634 1.00 0.00 C ATOM 1003 C PRO A1024 -24.091 -3.769 4.634 1.00 0.00 C ATOM 1004 O PRO A1024 -23.997 -2.587 4.239 1.00 0.00 O ATOM 1005 CB PRO A1024 -24.630 -6.137 3.995 1.00 0.00 C ATOM 1006 CG PRO A1024 -23.737 -7.281 3.665 1.00 0.00 C ATOM 1007 CD PRO A1024 -22.338 -6.803 3.932 1.00 0.00 C ATOM 1008 OXT PRO A1024 -24.396 -4.082 5.805 1.00 0.00 O ATOM 0 HA PRO A1024 -24.070 -4.469 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -24.903 -6.140 5.050 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -25.558 -6.183 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -23.975 -8.151 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -23.855 -7.581 2.624 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -22.027 -7.018 4.954 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -21.615 -7.282 3.271 1.00 0.00 H new