USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 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 -60:sc= 0.512 USER MOD Set 1.2: A1012 HIS : no HD1:sc= 0.655 K(o=1.2,f=-4.1!) USER MOD Set 2.1: A 999 HIS : no HD1:sc= -0.02 K(o=-0.11,f=-1) USER MOD Set 2.2: A1001 SER OG : rot -46:sc= -0.0947 USER MOD Single : A 962 SER OG : rot -37:sc= 0.0739 USER MOD Single : A 964 LYS NZ :NH3+ -167:sc= -0.0333 (180deg=-0.277) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN : amide:sc= -0.897 K(o=-0.9,f=-5.3!) USER MOD Single : A 973 MET CE :methyl 160:sc= -0.116 (180deg=-0.667) USER MOD Single : A 975 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-3.2!) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 981 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 984 SER OG : rot -150:sc= 0 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot -30:sc= -0.581 USER MOD Single : A 989 SER OG : rot 180:sc= -0.103 USER MOD Single : A 991 THR OG1 : rot -24:sc= 0.484 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -3.35! C(o=-3.4!,f=-7.5!) USER MOD Single : A1000 SER OG : rot 180:sc=-0.00605 USER MOD Single : A1009 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot 29:sc= -1.28! USER MOD Single : A1016 LYS NZ :NH3+ -148:sc= -3.22! (180deg=-4.95!) USER MOD Single : A1021 GLN : amide:sc= -0.864 K(o=-0.86,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 962 13.152 3.987 -3.885 1.00 0.00 N ATOM 76 CA SER A 962 13.264 2.593 -4.299 1.00 0.00 C ATOM 77 C SER A 962 11.891 1.977 -4.560 1.00 0.00 C ATOM 78 O SER A 962 11.741 1.138 -5.448 1.00 0.00 O ATOM 79 CB SER A 962 14.002 1.783 -3.232 1.00 0.00 C ATOM 80 OG SER A 962 13.326 1.841 -1.988 1.00 0.00 O ATOM 0 HA SER A 962 13.830 2.567 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 962 14.089 0.745 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 962 15.016 2.166 -3.117 1.00 0.00 H new ATOM 0 HG SER A 962 12.943 2.735 -1.865 1.00 0.00 H new ATOM 86 N CYS A 963 10.900 2.377 -3.769 1.00 0.00 N ATOM 87 CA CYS A 963 9.581 1.761 -3.835 1.00 0.00 C ATOM 88 C CYS A 963 8.671 2.505 -4.807 1.00 0.00 C ATOM 89 O CYS A 963 8.541 3.727 -4.746 1.00 0.00 O ATOM 90 CB CYS A 963 8.944 1.720 -2.445 1.00 0.00 C ATOM 91 SG CYS A 963 9.715 0.520 -1.310 1.00 0.00 S ATOM 0 H CYS A 963 10.985 3.122 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 963 9.706 0.742 -4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 963 9.002 2.714 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 963 7.886 1.479 -2.549 1.00 0.00 H new ATOM 96 N LYS A 964 8.039 1.750 -5.700 1.00 0.00 N ATOM 97 CA LYS A 964 7.107 2.313 -6.668 1.00 0.00 C ATOM 98 C LYS A 964 6.154 1.232 -7.172 1.00 0.00 C ATOM 99 O LYS A 964 6.278 0.755 -8.300 1.00 0.00 O ATOM 100 CB LYS A 964 7.869 2.937 -7.841 1.00 0.00 C ATOM 101 CG LYS A 964 6.974 3.629 -8.858 1.00 0.00 C ATOM 102 CD LYS A 964 6.261 4.827 -8.252 1.00 0.00 C ATOM 103 CE LYS A 964 5.371 5.520 -9.271 1.00 0.00 C ATOM 104 NZ LYS A 964 6.146 6.011 -10.444 1.00 0.00 N ATOM 0 H LYS A 964 8.157 0.739 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 964 6.525 3.093 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 964 8.587 3.659 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 964 8.441 2.158 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 964 7.573 3.953 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 964 6.238 2.920 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 964 5.659 4.502 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 964 6.997 5.534 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 964 4.600 4.828 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 964 4.861 6.358 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 5.556 6.661 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 6.996 6.512 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 6.428 5.204 -11.036 1.00 0.00 H new ATOM 118 N THR A 965 5.239 0.815 -6.304 1.00 0.00 N ATOM 119 CA THR A 965 4.465 -0.400 -6.534 1.00 0.00 C ATOM 120 C THR A 965 2.957 -0.133 -6.550 1.00 0.00 C ATOM 121 O THR A 965 2.277 -0.485 -7.514 1.00 0.00 O ATOM 122 CB THR A 965 4.782 -1.470 -5.470 1.00 0.00 C ATOM 123 OG1 THR A 965 6.167 -1.829 -5.532 1.00 0.00 O ATOM 124 CG2 THR A 965 3.924 -2.711 -5.670 1.00 0.00 C ATOM 0 H THR A 965 5.015 1.300 -5.435 1.00 0.00 H new ATOM 0 HA THR A 965 4.757 -0.768 -7.518 1.00 0.00 H new ATOM 0 HB THR A 965 4.558 -1.048 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 965 6.360 -2.508 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 965 4.168 -3.449 -4.906 1.00 0.00 H new ATOM 0 HG22 THR A 965 2.871 -2.442 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 965 4.118 -3.132 -6.657 1.00 0.00 H new ATOM 132 N PRO A 966 2.407 0.450 -5.466 1.00 0.00 N ATOM 133 CA PRO A 966 0.956 0.508 -5.246 1.00 0.00 C ATOM 134 C PRO A 966 0.195 1.074 -6.443 1.00 0.00 C ATOM 135 O PRO A 966 0.229 2.278 -6.696 1.00 0.00 O ATOM 136 CB PRO A 966 0.819 1.438 -4.039 1.00 0.00 C ATOM 137 CG PRO A 966 2.105 1.291 -3.304 1.00 0.00 C ATOM 138 CD PRO A 966 3.155 1.066 -4.355 1.00 0.00 C ATOM 0 HA PRO A 966 0.533 -0.485 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 966 0.656 2.470 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -0.029 1.155 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 966 2.324 2.183 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 966 2.064 0.454 -2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 966 3.625 2.001 -4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 966 3.949 0.412 -3.995 1.00 0.00 H new ATOM 146 N PRO A 967 -0.521 0.208 -7.185 1.00 0.00 N ATOM 147 CA PRO A 967 -1.379 0.633 -8.289 1.00 0.00 C ATOM 148 C PRO A 967 -2.765 1.052 -7.811 1.00 0.00 C ATOM 149 O PRO A 967 -2.973 1.305 -6.625 1.00 0.00 O ATOM 150 CB PRO A 967 -1.465 -0.628 -9.141 1.00 0.00 C ATOM 151 CG PRO A 967 -1.402 -1.747 -8.156 1.00 0.00 C ATOM 152 CD PRO A 967 -0.559 -1.257 -7.002 1.00 0.00 C ATOM 0 HA PRO A 967 -0.988 1.504 -8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -2.391 -0.657 -9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -0.644 -0.681 -9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -2.401 -2.022 -7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.962 -2.636 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -0.999 -1.528 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.442 -1.689 -7.027 1.00 0.00 H new ATOM 160 N ASP A 968 -3.714 1.108 -8.740 1.00 0.00 N ATOM 161 CA ASP A 968 -5.100 1.413 -8.398 1.00 0.00 C ATOM 162 C ASP A 968 -5.801 0.179 -7.830 1.00 0.00 C ATOM 163 O ASP A 968 -6.002 -0.809 -8.535 1.00 0.00 O ATOM 164 CB ASP A 968 -5.851 1.927 -9.629 1.00 0.00 C ATOM 165 CG ASP A 968 -5.797 0.956 -10.793 1.00 0.00 C ATOM 166 OD1 ASP A 968 -4.836 1.035 -11.588 1.00 0.00 O ATOM 167 OD2 ASP A 968 -6.716 0.119 -10.911 1.00 0.00 O ATOM 0 H ASP A 968 -3.550 0.947 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 968 -5.100 2.191 -7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.892 2.113 -9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -5.425 2.882 -9.937 1.00 0.00 H new ATOM 172 N PRO A 969 -6.178 0.220 -6.539 1.00 0.00 N ATOM 173 CA PRO A 969 -6.839 -0.909 -5.874 1.00 0.00 C ATOM 174 C PRO A 969 -8.243 -1.158 -6.414 1.00 0.00 C ATOM 175 O PRO A 969 -8.903 -0.241 -6.903 1.00 0.00 O ATOM 176 CB PRO A 969 -6.901 -0.476 -4.407 1.00 0.00 C ATOM 177 CG PRO A 969 -6.851 1.012 -4.447 1.00 0.00 C ATOM 178 CD PRO A 969 -5.989 1.363 -5.626 1.00 0.00 C ATOM 0 HA PRO A 969 -6.302 -1.844 -6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -7.815 -0.828 -3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -6.066 -0.885 -3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -7.850 1.434 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -6.433 1.414 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -6.300 2.301 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -4.944 1.480 -5.339 1.00 0.00 H new ATOM 186 N VAL A 970 -8.694 -2.406 -6.322 1.00 0.00 N ATOM 187 CA VAL A 970 -10.020 -2.780 -6.798 1.00 0.00 C ATOM 188 C VAL A 970 -11.109 -2.022 -6.044 1.00 0.00 C ATOM 189 O VAL A 970 -11.114 -1.985 -4.813 1.00 0.00 O ATOM 190 CB VAL A 970 -10.263 -4.296 -6.657 1.00 0.00 C ATOM 191 CG1 VAL A 970 -10.122 -4.730 -5.205 1.00 0.00 C ATOM 192 CG2 VAL A 970 -11.631 -4.674 -7.204 1.00 0.00 C ATOM 0 H VAL A 970 -8.158 -3.176 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 970 -10.065 -2.514 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 970 -9.507 -4.819 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -10.297 -5.803 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -9.116 -4.500 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -10.851 -4.198 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -11.782 -5.748 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -12.404 -4.141 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -11.688 -4.405 -8.259 1.00 0.00 H new ATOM 202 N ASN A 971 -12.026 -1.413 -6.793 1.00 0.00 N ATOM 203 CA ASN A 971 -13.099 -0.620 -6.205 1.00 0.00 C ATOM 204 C ASN A 971 -12.561 0.318 -5.128 1.00 0.00 C ATOM 205 O ASN A 971 -12.868 0.163 -3.946 1.00 0.00 O ATOM 206 CB ASN A 971 -14.172 -1.537 -5.616 1.00 0.00 C ATOM 207 CG ASN A 971 -14.788 -2.450 -6.659 1.00 0.00 C ATOM 208 OD1 ASN A 971 -14.130 -2.851 -7.620 1.00 0.00 O ATOM 209 ND2 ASN A 971 -16.058 -2.780 -6.476 1.00 0.00 N ATOM 0 H ASN A 971 -12.046 -1.455 -7.812 1.00 0.00 H new ATOM 0 HA ASN A 971 -13.543 -0.013 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -13.734 -2.141 -4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -14.955 -0.930 -5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.528 -3.389 -7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -16.565 -2.425 -5.666 1.00 0.00 H new ATOM 216 N GLY A 972 -11.755 1.290 -5.546 1.00 0.00 N ATOM 217 CA GLY A 972 -11.187 2.238 -4.606 1.00 0.00 C ATOM 218 C GLY A 972 -9.993 2.978 -5.176 1.00 0.00 C ATOM 219 O GLY A 972 -9.811 3.032 -6.392 1.00 0.00 O ATOM 0 H GLY A 972 -11.486 1.437 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -11.952 2.958 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -10.885 1.711 -3.701 1.00 0.00 H new ATOM 223 N MET A 973 -9.180 3.550 -4.294 1.00 0.00 N ATOM 224 CA MET A 973 -8.003 4.302 -4.715 1.00 0.00 C ATOM 225 C MET A 973 -6.935 4.294 -3.626 1.00 0.00 C ATOM 226 O MET A 973 -7.244 4.393 -2.438 1.00 0.00 O ATOM 227 CB MET A 973 -8.390 5.743 -5.055 1.00 0.00 C ATOM 228 CG MET A 973 -9.028 6.491 -3.896 1.00 0.00 C ATOM 229 SD MET A 973 -9.441 8.197 -4.314 1.00 0.00 S ATOM 230 CE MET A 973 -10.617 7.947 -5.642 1.00 0.00 C ATOM 0 H MET A 973 -9.314 3.507 -3.284 1.00 0.00 H new ATOM 0 HA MET A 973 -7.593 3.822 -5.604 1.00 0.00 H new ATOM 0 HB2 MET A 973 -7.500 6.283 -5.379 1.00 0.00 H new ATOM 0 HB3 MET A 973 -9.082 5.736 -5.897 1.00 0.00 H new ATOM 0 HG2 MET A 973 -9.932 5.968 -3.585 1.00 0.00 H new ATOM 0 HG3 MET A 973 -8.347 6.484 -3.045 1.00 0.00 H new ATOM 0 HE1 MET A 973 -11.221 8.846 -5.767 1.00 0.00 H new ATOM 0 HE2 MET A 973 -10.081 7.738 -6.568 1.00 0.00 H new ATOM 0 HE3 MET A 973 -11.266 7.105 -5.400 1.00 0.00 H new ATOM 240 N VAL A 974 -5.677 4.182 -4.039 1.00 0.00 N ATOM 241 CA VAL A 974 -4.558 4.226 -3.105 1.00 0.00 C ATOM 242 C VAL A 974 -4.182 5.667 -2.775 1.00 0.00 C ATOM 243 O VAL A 974 -4.209 6.540 -3.644 1.00 0.00 O ATOM 244 CB VAL A 974 -3.325 3.493 -3.670 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.874 4.129 -4.975 1.00 0.00 C ATOM 246 CG2 VAL A 974 -2.194 3.482 -2.652 1.00 0.00 C ATOM 0 H VAL A 974 -5.407 4.060 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.879 3.720 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 974 -3.605 2.460 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -2.003 3.597 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -3.682 4.074 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -2.614 5.173 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -1.333 2.960 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.914 4.507 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.524 2.971 -1.747 1.00 0.00 H new ATOM 256 N HIS A 975 -3.847 5.914 -1.513 1.00 0.00 N ATOM 257 CA HIS A 975 -3.551 7.266 -1.052 1.00 0.00 C ATOM 258 C HIS A 975 -2.112 7.376 -0.560 1.00 0.00 C ATOM 259 O HIS A 975 -1.789 6.941 0.546 1.00 0.00 O ATOM 260 CB HIS A 975 -4.514 7.670 0.066 1.00 0.00 C ATOM 261 CG HIS A 975 -5.949 7.699 -0.362 1.00 0.00 C ATOM 262 ND1 HIS A 975 -6.596 8.852 -0.750 1.00 0.00 N ATOM 263 CD2 HIS A 975 -6.864 6.705 -0.457 1.00 0.00 C ATOM 264 CE1 HIS A 975 -7.847 8.568 -1.066 1.00 0.00 C ATOM 265 NE2 HIS A 975 -8.034 7.271 -0.897 1.00 0.00 N ATOM 0 H HIS A 975 -3.774 5.197 -0.792 1.00 0.00 H new ATOM 0 HA HIS A 975 -3.679 7.943 -1.897 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -4.405 6.974 0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -4.234 8.656 0.437 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -6.703 5.662 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -8.590 9.275 -1.405 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -8.907 6.771 -1.066 1.00 0.00 H new ATOM 274 N VAL A 976 -1.258 7.982 -1.378 1.00 0.00 N ATOM 275 CA VAL A 976 0.107 8.285 -0.969 1.00 0.00 C ATOM 276 C VAL A 976 0.151 9.559 -0.130 1.00 0.00 C ATOM 277 O VAL A 976 -0.106 10.655 -0.626 1.00 0.00 O ATOM 278 CB VAL A 976 1.040 8.435 -2.190 1.00 0.00 C ATOM 279 CG1 VAL A 976 0.479 9.448 -3.178 1.00 0.00 C ATOM 280 CG2 VAL A 976 2.442 8.827 -1.750 1.00 0.00 C ATOM 0 H VAL A 976 -1.488 8.273 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 976 0.458 7.448 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 976 1.100 7.470 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 976 1.153 9.537 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -0.500 9.116 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 976 0.382 10.417 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 976 3.083 8.927 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 976 2.404 9.777 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 976 2.845 8.058 -1.091 1.00 0.00 H new ATOM 290 N ILE A 977 0.447 9.398 1.158 1.00 0.00 N ATOM 291 CA ILE A 977 0.365 10.500 2.109 1.00 0.00 C ATOM 292 C ILE A 977 1.282 11.653 1.710 1.00 0.00 C ATOM 293 O ILE A 977 0.918 12.821 1.849 1.00 0.00 O ATOM 294 CB ILE A 977 0.726 10.034 3.531 1.00 0.00 C ATOM 295 CG1 ILE A 977 -0.174 8.869 3.948 1.00 0.00 C ATOM 296 CG2 ILE A 977 0.604 11.188 4.516 1.00 0.00 C ATOM 297 CD1 ILE A 977 0.285 8.171 5.208 1.00 0.00 C ATOM 0 H ILE A 977 0.746 8.512 1.566 1.00 0.00 H new ATOM 0 HA ILE A 977 -0.667 10.851 2.097 1.00 0.00 H new ATOM 0 HB ILE A 977 1.761 9.691 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -1.188 9.239 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -0.215 8.144 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 977 0.863 10.841 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 977 1.282 11.990 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -0.420 11.561 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -0.400 7.357 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 977 1.287 7.770 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 977 0.299 8.883 6.034 1.00 0.00 H new ATOM 309 N THR A 978 2.472 11.320 1.218 1.00 0.00 N ATOM 310 CA THR A 978 3.436 12.335 0.809 1.00 0.00 C ATOM 311 C THR A 978 4.431 11.774 -0.202 1.00 0.00 C ATOM 312 O THR A 978 4.662 12.368 -1.256 1.00 0.00 O ATOM 313 CB THR A 978 4.210 12.895 2.019 1.00 0.00 C ATOM 314 OG1 THR A 978 3.294 13.314 3.037 1.00 0.00 O ATOM 315 CG2 THR A 978 5.083 14.071 1.606 1.00 0.00 C ATOM 0 H THR A 978 2.790 10.359 1.093 1.00 0.00 H new ATOM 0 HA THR A 978 2.868 13.142 0.346 1.00 0.00 H new ATOM 0 HB THR A 978 4.850 12.103 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 978 3.794 13.667 3.802 1.00 0.00 H new ATOM 0 HG21 THR A 978 5.619 14.449 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 978 5.799 13.745 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 978 4.457 14.862 1.194 1.00 0.00 H new ATOM 323 N ASP A 979 5.019 10.628 0.126 1.00 0.00 N ATOM 324 CA ASP A 979 5.987 9.984 -0.751 1.00 0.00 C ATOM 325 C ASP A 979 5.886 8.468 -0.637 1.00 0.00 C ATOM 326 O ASP A 979 4.932 7.938 -0.070 1.00 0.00 O ATOM 327 CB ASP A 979 7.406 10.440 -0.407 1.00 0.00 C ATOM 328 CG ASP A 979 7.627 11.913 -0.683 1.00 0.00 C ATOM 329 OD1 ASP A 979 7.982 12.256 -1.831 1.00 0.00 O ATOM 330 OD2 ASP A 979 7.447 12.725 0.248 1.00 0.00 O ATOM 0 H ASP A 979 4.840 10.126 0.996 1.00 0.00 H new ATOM 0 HA ASP A 979 5.763 10.274 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 979 7.604 10.238 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 979 8.122 9.855 -0.984 1.00 0.00 H new ATOM 335 N ILE A 980 6.876 7.776 -1.187 1.00 0.00 N ATOM 336 CA ILE A 980 6.885 6.321 -1.191 1.00 0.00 C ATOM 337 C ILE A 980 8.309 5.786 -1.104 1.00 0.00 C ATOM 338 O ILE A 980 8.636 4.756 -1.694 1.00 0.00 O ATOM 339 CB ILE A 980 6.209 5.765 -2.457 1.00 0.00 C ATOM 340 CG1 ILE A 980 6.544 6.646 -3.662 1.00 0.00 C ATOM 341 CG2 ILE A 980 4.703 5.674 -2.257 1.00 0.00 C ATOM 342 CD1 ILE A 980 6.059 6.083 -4.981 1.00 0.00 C ATOM 0 H ILE A 980 7.686 8.202 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 980 6.324 5.991 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 980 6.588 4.761 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 980 6.103 7.632 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 980 7.624 6.784 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 980 4.239 5.279 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 980 4.487 5.011 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 980 4.303 6.666 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 980 6.333 6.762 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 980 6.520 5.110 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 980 4.975 5.971 -4.952 1.00 0.00 H new ATOM 354 N GLN A 981 9.153 6.499 -0.366 1.00 0.00 N ATOM 355 CA GLN A 981 10.552 6.115 -0.219 1.00 0.00 C ATOM 356 C GLN A 981 10.760 5.291 1.047 1.00 0.00 C ATOM 357 O GLN A 981 9.810 5.002 1.775 1.00 0.00 O ATOM 358 CB GLN A 981 11.442 7.359 -0.185 1.00 0.00 C ATOM 359 CG GLN A 981 11.083 8.335 0.924 1.00 0.00 C ATOM 360 CD GLN A 981 11.972 9.563 0.932 1.00 0.00 C ATOM 361 OE1 GLN A 981 13.138 9.503 0.543 1.00 0.00 O ATOM 362 NE2 GLN A 981 11.424 10.687 1.378 1.00 0.00 N ATOM 0 H GLN A 981 8.893 7.346 0.140 1.00 0.00 H new ATOM 0 HA GLN A 981 10.828 5.503 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 981 12.480 7.049 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 981 11.373 7.871 -1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 981 10.044 8.644 0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.160 7.829 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 981 10.453 10.692 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 981 11.974 11.546 1.408 1.00 0.00 H new ATOM 371 N VAL A 982 12.009 4.915 1.303 1.00 0.00 N ATOM 372 CA VAL A 982 12.346 4.136 2.489 1.00 0.00 C ATOM 373 C VAL A 982 11.983 4.891 3.764 1.00 0.00 C ATOM 374 O VAL A 982 12.215 6.096 3.872 1.00 0.00 O ATOM 375 CB VAL A 982 13.846 3.783 2.523 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.159 2.888 3.714 1.00 0.00 C ATOM 377 CG2 VAL A 982 14.266 3.119 1.222 1.00 0.00 C ATOM 0 H VAL A 982 12.805 5.137 0.705 1.00 0.00 H new ATOM 0 HA VAL A 982 11.766 3.215 2.438 1.00 0.00 H new ATOM 0 HB VAL A 982 14.416 4.706 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.223 2.650 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 982 13.897 3.406 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 982 13.581 1.967 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 982 15.328 2.877 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.690 2.205 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 982 14.081 3.799 0.390 1.00 0.00 H new ATOM 387 N GLY A 983 11.410 4.175 4.727 1.00 0.00 N ATOM 388 CA GLY A 983 11.019 4.794 5.980 1.00 0.00 C ATOM 389 C GLY A 983 9.666 5.473 5.895 1.00 0.00 C ATOM 390 O GLY A 983 9.080 5.834 6.917 1.00 0.00 O ATOM 0 H GLY A 983 11.210 3.177 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.993 4.036 6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.772 5.527 6.270 1.00 0.00 H new ATOM 394 N SER A 984 9.169 5.647 4.675 1.00 0.00 N ATOM 395 CA SER A 984 7.880 6.293 4.459 1.00 0.00 C ATOM 396 C SER A 984 6.751 5.268 4.452 1.00 0.00 C ATOM 397 O SER A 984 6.952 4.113 4.076 1.00 0.00 O ATOM 398 CB SER A 984 7.887 7.069 3.141 1.00 0.00 C ATOM 399 OG SER A 984 8.884 8.077 3.147 1.00 0.00 O ATOM 0 H SER A 984 9.640 5.349 3.820 1.00 0.00 H new ATOM 0 HA SER A 984 7.710 6.989 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 984 8.064 6.383 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 984 6.909 7.521 2.977 1.00 0.00 H new ATOM 0 HG SER A 984 8.597 8.824 2.582 1.00 0.00 H new ATOM 405 N ARG A 985 5.567 5.698 4.875 1.00 0.00 N ATOM 406 CA ARG A 985 4.409 4.812 4.938 1.00 0.00 C ATOM 407 C ARG A 985 3.200 5.451 4.261 1.00 0.00 C ATOM 408 O ARG A 985 2.884 6.616 4.504 1.00 0.00 O ATOM 409 CB ARG A 985 4.077 4.478 6.395 1.00 0.00 C ATOM 410 CG ARG A 985 2.878 3.558 6.552 1.00 0.00 C ATOM 411 CD ARG A 985 2.609 3.238 8.013 1.00 0.00 C ATOM 412 NE ARG A 985 3.743 2.571 8.646 1.00 0.00 N ATOM 413 CZ ARG A 985 3.747 2.163 9.912 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.680 2.353 10.678 1.00 0.00 N ATOM 415 NH2 ARG A 985 4.818 1.564 10.414 1.00 0.00 N ATOM 0 H ARG A 985 5.383 6.654 5.179 1.00 0.00 H new ATOM 0 HA ARG A 985 4.655 3.892 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 985 4.946 4.011 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 985 3.887 5.404 6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 985 1.998 4.028 6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.053 2.633 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 985 2.385 4.159 8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 985 1.727 2.602 8.088 1.00 0.00 H new ATOM 0 HE ARG A 985 4.580 2.409 8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 985 1.854 2.813 10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 985 2.686 2.039 11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 985 5.640 1.416 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 985 4.820 1.252 11.385 1.00 0.00 H new ATOM 429 N ILE A 986 2.526 4.678 3.415 1.00 0.00 N ATOM 430 CA ILE A 986 1.331 5.156 2.729 1.00 0.00 C ATOM 431 C ILE A 986 0.072 4.566 3.357 1.00 0.00 C ATOM 432 O ILE A 986 0.145 3.836 4.346 1.00 0.00 O ATOM 433 CB ILE A 986 1.364 4.801 1.228 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.169 3.296 1.032 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.678 5.255 0.606 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.100 2.876 -0.421 1.00 0.00 C ATOM 0 H ILE A 986 2.787 3.718 3.188 1.00 0.00 H new ATOM 0 HA ILE A 986 1.313 6.241 2.833 1.00 0.00 H new ATOM 0 HB ILE A 986 0.547 5.322 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 986 1.990 2.766 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.251 2.989 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.687 4.998 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.780 6.334 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.509 4.758 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 986 0.961 1.797 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.262 3.377 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 986 2.027 3.151 -0.924 1.00 0.00 H new ATOM 448 N THR A 987 -1.083 4.885 2.779 1.00 0.00 N ATOM 449 CA THR A 987 -2.356 4.384 3.287 1.00 0.00 C ATOM 450 C THR A 987 -3.279 3.962 2.149 1.00 0.00 C ATOM 451 O THR A 987 -3.386 4.651 1.136 1.00 0.00 O ATOM 452 CB THR A 987 -3.074 5.441 4.148 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.257 6.646 3.395 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.282 5.741 5.411 1.00 0.00 C ATOM 0 H THR A 987 -1.163 5.487 1.960 1.00 0.00 H new ATOM 0 HA THR A 987 -2.126 3.516 3.905 1.00 0.00 H new ATOM 0 HB THR A 987 -4.047 5.042 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.715 7.312 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.809 6.490 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 987 -2.172 4.828 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.296 6.120 5.141 1.00 0.00 H new ATOM 462 N TYR A 988 -3.947 2.826 2.329 1.00 0.00 N ATOM 463 CA TYR A 988 -4.887 2.323 1.333 1.00 0.00 C ATOM 464 C TYR A 988 -6.327 2.564 1.774 1.00 0.00 C ATOM 465 O TYR A 988 -6.622 2.596 2.969 1.00 0.00 O ATOM 466 CB TYR A 988 -4.660 0.829 1.095 1.00 0.00 C ATOM 467 CG TYR A 988 -3.253 0.488 0.658 1.00 0.00 C ATOM 468 CD1 TYR A 988 -2.896 0.520 -0.684 1.00 0.00 C ATOM 469 CD2 TYR A 988 -2.284 0.133 1.587 1.00 0.00 C ATOM 470 CE1 TYR A 988 -1.612 0.206 -1.088 1.00 0.00 C ATOM 471 CE2 TYR A 988 -0.997 -0.180 1.190 1.00 0.00 C ATOM 472 CZ TYR A 988 -0.667 -0.143 -0.147 1.00 0.00 C ATOM 473 OH TYR A 988 0.613 -0.454 -0.545 1.00 0.00 O ATOM 0 H TYR A 988 -3.854 2.236 3.156 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.714 2.863 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -4.887 0.286 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.361 0.481 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -3.634 0.795 -1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -2.539 0.101 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -1.350 0.234 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -0.254 -0.452 1.925 1.00 0.00 H new ATOM 0 HH TYR A 988 0.591 -0.843 -1.444 1.00 0.00 H new ATOM 483 N SER A 989 -7.219 2.732 0.803 1.00 0.00 N ATOM 484 CA SER A 989 -8.629 2.972 1.094 1.00 0.00 C ATOM 485 C SER A 989 -9.509 2.536 -0.072 1.00 0.00 C ATOM 486 O SER A 989 -9.193 2.796 -1.233 1.00 0.00 O ATOM 487 CB SER A 989 -8.862 4.454 1.396 1.00 0.00 C ATOM 488 OG SER A 989 -8.112 4.870 2.524 1.00 0.00 O ATOM 0 H SER A 989 -6.991 2.707 -0.191 1.00 0.00 H new ATOM 0 HA SER A 989 -8.899 2.381 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.583 5.053 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 989 -9.923 4.629 1.576 1.00 0.00 H new ATOM 0 HG SER A 989 -8.278 5.821 2.694 1.00 0.00 H new ATOM 494 N CYS A 990 -10.620 1.876 0.246 1.00 0.00 N ATOM 495 CA CYS A 990 -11.568 1.437 -0.773 1.00 0.00 C ATOM 496 C CYS A 990 -12.364 2.617 -1.320 1.00 0.00 C ATOM 497 O CYS A 990 -12.138 3.764 -0.932 1.00 0.00 O ATOM 498 CB CYS A 990 -12.520 0.387 -0.198 1.00 0.00 C ATOM 499 SG CYS A 990 -11.712 -1.179 0.266 1.00 0.00 S ATOM 0 H CYS A 990 -10.885 1.634 1.201 1.00 0.00 H new ATOM 0 HA CYS A 990 -11.002 0.993 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -13.014 0.803 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -13.298 0.178 -0.932 1.00 0.00 H new ATOM 504 N THR A 991 -13.292 2.329 -2.227 1.00 0.00 N ATOM 505 CA THR A 991 -14.084 3.373 -2.868 1.00 0.00 C ATOM 506 C THR A 991 -15.166 3.895 -1.932 1.00 0.00 C ATOM 507 O THR A 991 -15.789 4.924 -2.199 1.00 0.00 O ATOM 508 CB THR A 991 -14.740 2.863 -4.165 1.00 0.00 C ATOM 509 OG1 THR A 991 -15.542 3.897 -4.748 1.00 0.00 O ATOM 510 CG2 THR A 991 -15.601 1.638 -3.893 1.00 0.00 C ATOM 0 H THR A 991 -13.514 1.382 -2.535 1.00 0.00 H new ATOM 0 HA THR A 991 -13.399 4.185 -3.113 1.00 0.00 H new ATOM 0 HB THR A 991 -13.948 2.582 -4.860 1.00 0.00 H new ATOM 0 HG1 THR A 991 -15.812 4.533 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 991 -16.053 1.297 -4.824 1.00 0.00 H new ATOM 0 HG22 THR A 991 -14.982 0.843 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 991 -16.386 1.895 -3.182 1.00 0.00 H new ATOM 518 N THR A 992 -15.383 3.183 -0.833 1.00 0.00 N ATOM 519 CA THR A 992 -16.392 3.570 0.146 1.00 0.00 C ATOM 520 C THR A 992 -15.855 3.439 1.567 1.00 0.00 C ATOM 521 O THR A 992 -16.114 4.287 2.421 1.00 0.00 O ATOM 522 CB THR A 992 -17.662 2.713 0.004 1.00 0.00 C ATOM 523 OG1 THR A 992 -18.213 2.864 -1.309 1.00 0.00 O ATOM 524 CG2 THR A 992 -18.703 3.104 1.043 1.00 0.00 C ATOM 0 H THR A 992 -14.872 2.332 -0.597 1.00 0.00 H new ATOM 0 HA THR A 992 -16.643 4.613 -0.047 1.00 0.00 H new ATOM 0 HB THR A 992 -17.386 1.671 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 992 -19.020 2.314 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 992 -19.590 2.483 0.920 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.293 2.957 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 992 -18.972 4.152 0.912 1.00 0.00 H new ATOM 532 N GLY A 993 -15.109 2.365 1.814 1.00 0.00 N ATOM 533 CA GLY A 993 -14.566 2.125 3.138 1.00 0.00 C ATOM 534 C GLY A 993 -14.698 0.676 3.562 1.00 0.00 C ATOM 535 O GLY A 993 -14.800 0.376 4.752 1.00 0.00 O ATOM 0 H GLY A 993 -14.871 1.657 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -13.514 2.411 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -15.080 2.760 3.859 1.00 0.00 H new ATOM 539 N HIS A 994 -14.700 -0.224 2.583 1.00 0.00 N ATOM 540 CA HIS A 994 -14.848 -1.649 2.853 1.00 0.00 C ATOM 541 C HIS A 994 -13.659 -2.179 3.648 1.00 0.00 C ATOM 542 O HIS A 994 -12.615 -1.532 3.728 1.00 0.00 O ATOM 543 CB HIS A 994 -14.986 -2.423 1.540 1.00 0.00 C ATOM 544 CG HIS A 994 -16.072 -1.901 0.650 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.412 -2.004 0.959 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.010 -1.266 -0.544 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.127 -1.456 -0.007 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.300 -1.000 -0.931 1.00 0.00 N ATOM 0 H HIS A 994 -14.601 0.009 1.595 1.00 0.00 H new ATOM 0 HA HIS A 994 -15.750 -1.791 3.448 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.038 -2.385 1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -15.183 -3.471 1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -15.113 -1.015 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -19.205 -1.392 -0.037 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -17.575 -0.527 -1.792 1.00 0.00 H new ATOM 557 N ARG A 995 -13.826 -3.360 4.235 1.00 0.00 N ATOM 558 CA ARG A 995 -12.769 -3.980 5.026 1.00 0.00 C ATOM 559 C ARG A 995 -11.544 -4.270 4.165 1.00 0.00 C ATOM 560 O ARG A 995 -11.661 -4.796 3.058 1.00 0.00 O ATOM 561 CB ARG A 995 -13.275 -5.273 5.667 1.00 0.00 C ATOM 562 CG ARG A 995 -12.229 -5.986 6.510 1.00 0.00 C ATOM 563 CD ARG A 995 -12.768 -7.284 7.089 1.00 0.00 C ATOM 564 NE ARG A 995 -11.767 -7.985 7.888 1.00 0.00 N ATOM 565 CZ ARG A 995 -11.947 -9.200 8.396 1.00 0.00 C ATOM 566 NH1 ARG A 995 -13.086 -9.847 8.192 1.00 0.00 N ATOM 567 NH2 ARG A 995 -10.987 -9.770 9.112 1.00 0.00 N ATOM 0 H ARG A 995 -14.685 -3.907 4.178 1.00 0.00 H new ATOM 0 HA ARG A 995 -12.481 -3.282 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.139 -5.045 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -13.618 -5.947 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -11.350 -6.196 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -11.906 -5.332 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -13.640 -7.070 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -13.102 -7.931 6.278 1.00 0.00 H new ATOM 0 HE ARG A 995 -10.879 -7.516 8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -13.828 -9.413 7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -13.220 -10.779 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -10.109 -9.276 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -11.126 -10.702 9.501 1.00 0.00 H new ATOM 581 N LEU A 996 -10.368 -3.926 4.681 1.00 0.00 N ATOM 582 CA LEU A 996 -9.120 -4.163 3.966 1.00 0.00 C ATOM 583 C LEU A 996 -8.597 -5.567 4.257 1.00 0.00 C ATOM 584 O LEU A 996 -8.269 -5.893 5.398 1.00 0.00 O ATOM 585 CB LEU A 996 -8.075 -3.118 4.369 1.00 0.00 C ATOM 586 CG LEU A 996 -6.949 -2.878 3.352 1.00 0.00 C ATOM 587 CD1 LEU A 996 -6.056 -4.104 3.230 1.00 0.00 C ATOM 588 CD2 LEU A 996 -7.525 -2.496 1.996 1.00 0.00 C ATOM 0 H LEU A 996 -10.254 -3.482 5.592 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.311 -4.078 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.585 -2.172 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -7.627 -3.424 5.314 1.00 0.00 H new ATOM 0 HG LEU A 996 -6.338 -2.050 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -5.267 -3.909 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -5.610 -4.327 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -6.650 -4.956 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -6.712 -2.330 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -8.164 -3.301 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -8.112 -1.583 2.094 1.00 0.00 H new ATOM 600 N ILE A 997 -8.514 -6.389 3.217 1.00 0.00 N ATOM 601 CA ILE A 997 -7.991 -7.743 3.355 1.00 0.00 C ATOM 602 C ILE A 997 -6.467 -7.732 3.389 1.00 0.00 C ATOM 603 O ILE A 997 -5.807 -8.054 2.401 1.00 0.00 O ATOM 604 CB ILE A 997 -8.471 -8.650 2.205 1.00 0.00 C ATOM 605 CG1 ILE A 997 -9.996 -8.586 2.084 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.008 -10.084 2.426 1.00 0.00 C ATOM 607 CD1 ILE A 997 -10.730 -9.131 3.291 1.00 0.00 C ATOM 0 H ILE A 997 -8.802 -6.142 2.270 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.370 -8.142 4.296 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.034 -8.293 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -10.295 -7.550 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -10.304 -9.145 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -8.356 -10.710 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -6.919 -10.112 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -8.417 -10.458 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -11.805 -9.051 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -10.462 -10.177 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -10.452 -8.557 4.175 1.00 0.00 H new ATOM 619 N GLY A 998 -5.917 -7.344 4.533 1.00 0.00 N ATOM 620 CA GLY A 998 -4.477 -7.227 4.665 1.00 0.00 C ATOM 621 C GLY A 998 -4.072 -6.178 5.681 1.00 0.00 C ATOM 622 O GLY A 998 -4.288 -6.351 6.881 1.00 0.00 O ATOM 0 H GLY A 998 -6.444 -7.108 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.062 -8.192 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.046 -6.976 3.696 1.00 0.00 H new ATOM 626 N HIS A 999 -3.488 -5.087 5.200 1.00 0.00 N ATOM 627 CA HIS A 999 -3.076 -3.992 6.071 1.00 0.00 C ATOM 628 C HIS A 999 -3.185 -2.654 5.344 1.00 0.00 C ATOM 629 O HIS A 999 -2.696 -2.503 4.225 1.00 0.00 O ATOM 630 CB HIS A 999 -1.640 -4.213 6.555 1.00 0.00 C ATOM 631 CG HIS A 999 -1.239 -3.319 7.688 1.00 0.00 C ATOM 632 ND1 HIS A 999 0.073 -3.141 8.077 1.00 0.00 N ATOM 633 CD2 HIS A 999 -1.982 -2.556 8.526 1.00 0.00 C ATOM 634 CE1 HIS A 999 0.118 -2.311 9.104 1.00 0.00 C ATOM 635 NE2 HIS A 999 -1.114 -1.941 9.394 1.00 0.00 N ATOM 0 H HIS A 999 -3.289 -4.937 4.211 1.00 0.00 H new ATOM 0 HA HIS A 999 -3.741 -3.971 6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -1.527 -5.251 6.867 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -0.957 -4.055 5.720 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -3.057 -2.451 8.513 1.00 0.00 H new ATOM 0 HE1 HIS A 999 1.012 -1.990 9.618 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -1.379 -1.301 10.143 1.00 0.00 H new ATOM 644 N SER A1000 -3.845 -1.691 5.981 1.00 0.00 N ATOM 645 CA SER A1000 -4.116 -0.401 5.352 1.00 0.00 C ATOM 646 C SER A1000 -2.928 0.546 5.494 1.00 0.00 C ATOM 647 O SER A1000 -3.097 1.765 5.550 1.00 0.00 O ATOM 648 CB SER A1000 -5.365 0.234 5.966 1.00 0.00 C ATOM 649 OG SER A1000 -6.499 -0.599 5.793 1.00 0.00 O ATOM 0 H SER A1000 -4.202 -1.779 6.932 1.00 0.00 H new ATOM 0 HA SER A1000 -4.286 -0.576 4.290 1.00 0.00 H new ATOM 0 HB2 SER A1000 -5.201 0.413 7.028 1.00 0.00 H new ATOM 0 HB3 SER A1000 -5.548 1.204 5.504 1.00 0.00 H new ATOM 0 HG SER A1000 -7.284 -0.171 6.196 1.00 0.00 H new ATOM 655 N SER A1001 -1.725 -0.019 5.542 1.00 0.00 N ATOM 656 CA SER A1001 -0.507 0.780 5.617 1.00 0.00 C ATOM 657 C SER A1001 0.725 -0.078 5.340 1.00 0.00 C ATOM 658 O SER A1001 0.934 -1.105 5.985 1.00 0.00 O ATOM 659 CB SER A1001 -0.386 1.442 6.992 1.00 0.00 C ATOM 660 OG SER A1001 -0.365 0.473 8.024 1.00 0.00 O ATOM 0 H SER A1001 -1.568 -1.027 5.530 1.00 0.00 H new ATOM 0 HA SER A1001 -0.565 1.556 4.854 1.00 0.00 H new ATOM 0 HB2 SER A1001 0.524 2.040 7.032 1.00 0.00 H new ATOM 0 HB3 SER A1001 -1.223 2.124 7.146 1.00 0.00 H new ATOM 0 HG SER A1001 -1.074 -0.185 7.869 1.00 0.00 H new ATOM 666 N ALA A1002 1.529 0.346 4.369 1.00 0.00 N ATOM 667 CA ALA A1002 2.699 -0.420 3.957 1.00 0.00 C ATOM 668 C ALA A1002 3.990 0.317 4.299 1.00 0.00 C ATOM 669 O ALA A1002 3.991 1.534 4.485 1.00 0.00 O ATOM 670 CB ALA A1002 2.637 -0.712 2.465 1.00 0.00 C ATOM 0 H ALA A1002 1.391 1.215 3.854 1.00 0.00 H new ATOM 0 HA ALA A1002 2.695 -1.363 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.516 -1.284 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.738 -1.287 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.612 0.227 1.911 1.00 0.00 H new ATOM 676 N GLU A1003 5.087 -0.429 4.378 1.00 0.00 N ATOM 677 CA GLU A1003 6.386 0.153 4.701 1.00 0.00 C ATOM 678 C GLU A1003 7.431 -0.235 3.657 1.00 0.00 C ATOM 679 O GLU A1003 7.645 -1.417 3.387 1.00 0.00 O ATOM 680 CB GLU A1003 6.841 -0.303 6.089 1.00 0.00 C ATOM 681 CG GLU A1003 8.179 0.280 6.514 1.00 0.00 C ATOM 682 CD GLU A1003 8.611 -0.189 7.890 1.00 0.00 C ATOM 683 OE1 GLU A1003 9.294 -1.231 7.975 1.00 0.00 O ATOM 684 OE2 GLU A1003 8.265 0.486 8.882 1.00 0.00 O ATOM 0 H GLU A1003 5.103 -1.437 4.223 1.00 0.00 H new ATOM 0 HA GLU A1003 6.281 1.238 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A1003 6.083 -0.023 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.908 -1.391 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.940 0.002 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A1003 8.115 1.368 6.509 1.00 0.00 H new ATOM 691 N CYS A1004 8.077 0.770 3.075 1.00 0.00 N ATOM 692 CA CYS A1004 9.105 0.538 2.066 1.00 0.00 C ATOM 693 C CYS A1004 10.333 -0.122 2.686 1.00 0.00 C ATOM 694 O CYS A1004 11.136 0.536 3.348 1.00 0.00 O ATOM 695 CB CYS A1004 9.501 1.858 1.402 1.00 0.00 C ATOM 696 SG CYS A1004 10.694 1.681 0.037 1.00 0.00 S ATOM 0 H CYS A1004 7.907 1.754 3.285 1.00 0.00 H new ATOM 0 HA CYS A1004 8.696 -0.133 1.310 1.00 0.00 H new ATOM 0 HB2 CYS A1004 8.602 2.345 1.023 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.926 2.518 2.158 1.00 0.00 H new ATOM 701 N ILE A1005 10.465 -1.430 2.479 1.00 0.00 N ATOM 702 CA ILE A1005 11.548 -2.193 3.088 1.00 0.00 C ATOM 703 C ILE A1005 12.454 -2.815 2.032 1.00 0.00 C ATOM 704 O ILE A1005 12.128 -2.829 0.845 1.00 0.00 O ATOM 705 CB ILE A1005 11.005 -3.311 3.999 1.00 0.00 C ATOM 706 CG1 ILE A1005 10.037 -4.208 3.223 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.324 -2.711 5.219 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.552 -5.406 4.013 1.00 0.00 C ATOM 0 H ILE A1005 9.836 -1.981 1.895 1.00 0.00 H new ATOM 0 HA ILE A1005 12.126 -1.489 3.687 1.00 0.00 H new ATOM 0 HB ILE A1005 11.840 -3.924 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A1005 9.176 -3.616 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A1005 10.528 -4.557 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.945 -3.511 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A1005 11.042 -2.112 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.496 -2.078 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.870 -5.995 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A1005 10.404 -6.021 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A1005 9.032 -5.065 4.908 1.00 0.00 H new ATOM 720 N LEU A1006 13.595 -3.333 2.477 1.00 0.00 N ATOM 721 CA LEU A1006 14.543 -3.990 1.583 1.00 0.00 C ATOM 722 C LEU A1006 14.840 -5.410 2.053 1.00 0.00 C ATOM 723 O LEU A1006 15.089 -5.644 3.236 1.00 0.00 O ATOM 724 CB LEU A1006 15.841 -3.186 1.504 1.00 0.00 C ATOM 725 CG LEU A1006 15.757 -1.900 0.680 1.00 0.00 C ATOM 726 CD1 LEU A1006 16.939 -0.992 0.983 1.00 0.00 C ATOM 727 CD2 LEU A1006 15.696 -2.223 -0.805 1.00 0.00 C ATOM 0 H LEU A1006 13.886 -3.310 3.454 1.00 0.00 H new ATOM 0 HA LEU A1006 14.093 -4.041 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A1006 16.155 -2.931 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A1006 16.619 -3.821 1.080 1.00 0.00 H new ATOM 0 HG LEU A1006 14.843 -1.374 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A1006 16.861 -0.083 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A1006 16.937 -0.733 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A1006 17.867 -1.508 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A1006 15.637 -1.297 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A1006 16.592 -2.772 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A1006 14.816 -2.832 -1.009 1.00 0.00 H new ATOM 739 N SER A1007 14.817 -6.354 1.118 1.00 0.00 N ATOM 740 CA SER A1007 15.101 -7.750 1.433 1.00 0.00 C ATOM 741 C SER A1007 15.723 -8.462 0.236 1.00 0.00 C ATOM 742 O SER A1007 16.753 -9.125 0.362 1.00 0.00 O ATOM 743 CB SER A1007 13.821 -8.469 1.860 1.00 0.00 C ATOM 744 OG SER A1007 12.846 -8.430 0.833 1.00 0.00 O ATOM 0 H SER A1007 14.605 -6.178 0.136 1.00 0.00 H new ATOM 0 HA SER A1007 15.814 -7.773 2.257 1.00 0.00 H new ATOM 0 HB2 SER A1007 14.049 -9.505 2.110 1.00 0.00 H new ATOM 0 HB3 SER A1007 13.423 -8.004 2.762 1.00 0.00 H new ATOM 0 HG SER A1007 12.624 -7.498 0.628 1.00 0.00 H new ATOM 750 N GLY A1008 15.092 -8.321 -0.925 1.00 0.00 N ATOM 751 CA GLY A1008 15.600 -8.955 -2.128 1.00 0.00 C ATOM 752 C GLY A1008 16.487 -8.030 -2.940 1.00 0.00 C ATOM 753 O GLY A1008 17.411 -7.418 -2.404 1.00 0.00 O ATOM 0 H GLY A1008 14.238 -7.779 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A1008 16.164 -9.847 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A1008 14.763 -9.283 -2.744 1.00 0.00 H new ATOM 757 N ASN A1009 16.205 -7.929 -4.235 1.00 0.00 N ATOM 758 CA ASN A1009 16.977 -7.065 -5.120 1.00 0.00 C ATOM 759 C ASN A1009 16.256 -5.740 -5.350 1.00 0.00 C ATOM 760 O ASN A1009 16.824 -4.800 -5.905 1.00 0.00 O ATOM 761 CB ASN A1009 17.229 -7.762 -6.458 1.00 0.00 C ATOM 762 CG ASN A1009 17.994 -9.061 -6.300 1.00 0.00 C ATOM 763 OD1 ASN A1009 19.224 -9.078 -6.332 1.00 0.00 O ATOM 764 ND2 ASN A1009 17.267 -10.159 -6.128 1.00 0.00 N ATOM 0 H ASN A1009 15.448 -8.435 -4.694 1.00 0.00 H new ATOM 0 HA ASN A1009 17.934 -6.859 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A1009 16.275 -7.963 -6.945 1.00 0.00 H new ATOM 0 HB3 ASN A1009 17.787 -7.093 -7.113 1.00 0.00 H new ATOM 0 HD21 ASN A1009 17.727 -11.063 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A1009 16.249 -10.099 -6.108 1.00 0.00 H new ATOM 771 N THR A1010 15.002 -5.677 -4.918 1.00 0.00 N ATOM 772 CA THR A1010 14.197 -4.473 -5.078 1.00 0.00 C ATOM 773 C THR A1010 13.288 -4.253 -3.872 1.00 0.00 C ATOM 774 O THR A1010 12.678 -5.194 -3.363 1.00 0.00 O ATOM 775 CB THR A1010 13.336 -4.540 -6.353 1.00 0.00 C ATOM 776 OG1 THR A1010 12.555 -3.347 -6.482 1.00 0.00 O ATOM 777 CG2 THR A1010 12.417 -5.753 -6.327 1.00 0.00 C ATOM 0 H THR A1010 14.520 -6.447 -4.454 1.00 0.00 H new ATOM 0 HA THR A1010 14.891 -3.637 -5.161 1.00 0.00 H new ATOM 0 HB THR A1010 14.005 -4.630 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A1010 12.012 -3.398 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A1010 11.820 -5.777 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A1010 13.016 -6.662 -6.261 1.00 0.00 H new ATOM 0 HG23 THR A1010 11.756 -5.691 -5.462 1.00 0.00 H new ATOM 785 N ALA A1011 13.204 -3.006 -3.421 1.00 0.00 N ATOM 786 CA ALA A1011 12.365 -2.660 -2.280 1.00 0.00 C ATOM 787 C ALA A1011 10.890 -2.886 -2.594 1.00 0.00 C ATOM 788 O ALA A1011 10.365 -2.352 -3.572 1.00 0.00 O ATOM 789 CB ALA A1011 12.602 -1.215 -1.870 1.00 0.00 C ATOM 0 H ALA A1011 13.707 -2.218 -3.829 1.00 0.00 H new ATOM 0 HA ALA A1011 12.637 -3.312 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.969 -0.970 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.648 -1.082 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.359 -0.556 -2.703 1.00 0.00 H new ATOM 795 N HIS A1012 10.227 -3.674 -1.754 1.00 0.00 N ATOM 796 CA HIS A1012 8.805 -3.947 -1.922 1.00 0.00 C ATOM 797 C HIS A1012 8.060 -3.762 -0.605 1.00 0.00 C ATOM 798 O HIS A1012 8.592 -4.050 0.468 1.00 0.00 O ATOM 799 CB HIS A1012 8.593 -5.367 -2.449 1.00 0.00 C ATOM 800 CG HIS A1012 9.140 -6.430 -1.548 1.00 0.00 C ATOM 801 ND1 HIS A1012 8.363 -7.124 -0.644 1.00 0.00 N ATOM 802 CD2 HIS A1012 10.396 -6.920 -1.415 1.00 0.00 C ATOM 803 CE1 HIS A1012 9.116 -7.994 0.005 1.00 0.00 C ATOM 804 NE2 HIS A1012 10.353 -7.890 -0.446 1.00 0.00 N ATOM 0 H HIS A1012 10.652 -4.135 -0.950 1.00 0.00 H new ATOM 0 HA HIS A1012 8.407 -3.238 -2.648 1.00 0.00 H new ATOM 0 HB2 HIS A1012 7.526 -5.537 -2.591 1.00 0.00 H new ATOM 0 HB3 HIS A1012 9.063 -5.456 -3.428 1.00 0.00 H new ATOM 0 HD2 HIS A1012 11.268 -6.606 -1.969 1.00 0.00 H new ATOM 0 HE1 HIS A1012 8.778 -8.674 0.773 1.00 0.00 H new ATOM 0 HE2 HIS A1012 11.148 -8.442 -0.125 1.00 0.00 H new ATOM 813 N TRP A1013 6.830 -3.266 -0.692 1.00 0.00 N ATOM 814 CA TRP A1013 6.040 -2.960 0.495 1.00 0.00 C ATOM 815 C TRP A1013 5.657 -4.236 1.238 1.00 0.00 C ATOM 816 O TRP A1013 5.431 -5.280 0.626 1.00 0.00 O ATOM 817 CB TRP A1013 4.784 -2.181 0.104 1.00 0.00 C ATOM 818 CG TRP A1013 5.083 -0.942 -0.682 1.00 0.00 C ATOM 819 CD1 TRP A1013 5.137 -0.827 -2.042 1.00 0.00 C ATOM 820 CD2 TRP A1013 5.376 0.359 -0.159 1.00 0.00 C ATOM 821 NE1 TRP A1013 5.444 0.463 -2.394 1.00 0.00 N ATOM 822 CE2 TRP A1013 5.596 1.210 -1.258 1.00 0.00 C ATOM 823 CE3 TRP A1013 5.472 0.888 1.131 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.906 2.558 -1.107 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.781 2.227 1.280 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.994 3.049 0.167 1.00 0.00 C ATOM 0 H TRP A1013 6.358 -3.067 -1.574 1.00 0.00 H new ATOM 0 HA TRP A1013 6.647 -2.346 1.161 1.00 0.00 H new ATOM 0 HB2 TRP A1013 4.131 -2.827 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A1013 4.237 -1.909 1.006 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.963 -1.634 -2.739 1.00 0.00 H new ATOM 0 HE1 TRP A1013 5.543 0.809 -3.348 1.00 0.00 H new ATOM 0 HE3 TRP A1013 5.308 0.262 1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 6.071 3.194 -1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.859 2.646 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A1013 6.233 4.092 0.317 1.00 0.00 H new ATOM 837 N SER A1014 5.602 -4.148 2.565 1.00 0.00 N ATOM 838 CA SER A1014 5.350 -5.316 3.402 1.00 0.00 C ATOM 839 C SER A1014 3.856 -5.604 3.514 1.00 0.00 C ATOM 840 O SER A1014 3.388 -6.117 4.531 1.00 0.00 O ATOM 841 CB SER A1014 5.946 -5.106 4.795 1.00 0.00 C ATOM 842 OG SER A1014 5.368 -3.979 5.433 1.00 0.00 O ATOM 0 H SER A1014 5.729 -3.279 3.083 1.00 0.00 H new ATOM 0 HA SER A1014 5.828 -6.175 2.931 1.00 0.00 H new ATOM 0 HB2 SER A1014 5.781 -5.996 5.402 1.00 0.00 H new ATOM 0 HB3 SER A1014 7.025 -4.970 4.716 1.00 0.00 H new ATOM 0 HG SER A1014 5.765 -3.867 6.322 1.00 0.00 H new ATOM 848 N THR A1015 3.110 -5.274 2.463 1.00 0.00 N ATOM 849 CA THR A1015 1.672 -5.517 2.444 1.00 0.00 C ATOM 850 C THR A1015 1.230 -6.110 1.111 1.00 0.00 C ATOM 851 O THR A1015 1.520 -5.561 0.048 1.00 0.00 O ATOM 852 CB THR A1015 0.878 -4.221 2.699 1.00 0.00 C ATOM 853 OG1 THR A1015 1.165 -3.263 1.675 1.00 0.00 O ATOM 854 CG2 THR A1015 1.221 -3.634 4.060 1.00 0.00 C ATOM 0 H THR A1015 3.477 -4.839 1.616 1.00 0.00 H new ATOM 0 HA THR A1015 1.464 -6.228 3.244 1.00 0.00 H new ATOM 0 HB THR A1015 -0.185 -4.463 2.684 1.00 0.00 H new ATOM 0 HG1 THR A1015 1.399 -3.730 0.846 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.648 -2.720 4.217 1.00 0.00 H new ATOM 0 HG22 THR A1015 0.975 -4.355 4.840 1.00 0.00 H new ATOM 0 HG23 THR A1015 2.286 -3.406 4.100 1.00 0.00 H new ATOM 862 N LYS A1016 0.514 -7.228 1.177 1.00 0.00 N ATOM 863 CA LYS A1016 -0.047 -7.852 -0.015 1.00 0.00 C ATOM 864 C LYS A1016 -1.061 -6.926 -0.683 1.00 0.00 C ATOM 865 O LYS A1016 -1.565 -5.996 -0.052 1.00 0.00 O ATOM 866 CB LYS A1016 -0.700 -9.191 0.349 1.00 0.00 C ATOM 867 CG LYS A1016 -1.656 -9.112 1.532 1.00 0.00 C ATOM 868 CD LYS A1016 -3.011 -8.542 1.137 1.00 0.00 C ATOM 869 CE LYS A1016 -3.861 -9.564 0.395 1.00 0.00 C ATOM 870 NZ LYS A1016 -3.301 -9.897 -0.944 1.00 0.00 N ATOM 0 H LYS A1016 0.309 -7.721 2.046 1.00 0.00 H new ATOM 0 HA LYS A1016 0.761 -8.037 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -1.242 -9.567 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A1016 0.082 -9.916 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -1.791 -10.107 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -1.216 -8.491 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -3.540 -8.210 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -2.866 -7.664 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -3.936 -10.473 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -4.873 -9.176 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -4.077 -10.117 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -2.761 -9.085 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -2.673 -10.722 -0.862 1.00 0.00 H new ATOM 884 N PRO A1017 -1.377 -7.169 -1.970 1.00 0.00 N ATOM 885 CA PRO A1017 -2.355 -6.365 -2.709 1.00 0.00 C ATOM 886 C PRO A1017 -3.664 -6.201 -1.940 1.00 0.00 C ATOM 887 O PRO A1017 -4.365 -7.179 -1.679 1.00 0.00 O ATOM 888 CB PRO A1017 -2.589 -7.160 -4.005 1.00 0.00 C ATOM 889 CG PRO A1017 -1.919 -8.480 -3.797 1.00 0.00 C ATOM 890 CD PRO A1017 -0.821 -8.239 -2.805 1.00 0.00 C ATOM 0 HA PRO A1017 -1.993 -5.352 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -3.654 -7.288 -4.199 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.169 -6.639 -4.865 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -2.626 -9.221 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -1.519 -8.866 -4.735 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.597 -9.133 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.106 -7.934 -3.291 1.00 0.00 H new ATOM 898 N PRO A1018 -4.001 -4.957 -1.551 1.00 0.00 N ATOM 899 CA PRO A1018 -5.181 -4.679 -0.723 1.00 0.00 C ATOM 900 C PRO A1018 -6.484 -5.026 -1.434 1.00 0.00 C ATOM 901 O PRO A1018 -6.605 -4.855 -2.647 1.00 0.00 O ATOM 902 CB PRO A1018 -5.098 -3.171 -0.465 1.00 0.00 C ATOM 903 CG PRO A1018 -4.242 -2.640 -1.563 1.00 0.00 C ATOM 904 CD PRO A1018 -3.256 -3.728 -1.876 1.00 0.00 C ATOM 0 HA PRO A1018 -5.184 -5.278 0.188 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -6.087 -2.713 -0.479 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -4.663 -2.961 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.840 -2.391 -2.439 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -3.732 -1.727 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -2.950 -3.706 -2.922 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.350 -3.635 -1.277 1.00 0.00 H new ATOM 912 N ILE A1019 -7.456 -5.517 -0.671 1.00 0.00 N ATOM 913 CA ILE A1019 -8.749 -5.896 -1.228 1.00 0.00 C ATOM 914 C ILE A1019 -9.887 -5.304 -0.402 1.00 0.00 C ATOM 915 O ILE A1019 -9.684 -4.867 0.730 1.00 0.00 O ATOM 916 CB ILE A1019 -8.912 -7.429 -1.283 1.00 0.00 C ATOM 917 CG1 ILE A1019 -7.615 -8.086 -1.762 1.00 0.00 C ATOM 918 CG2 ILE A1019 -10.070 -7.807 -2.196 1.00 0.00 C ATOM 919 CD1 ILE A1019 -7.647 -9.600 -1.714 1.00 0.00 C ATOM 0 H ILE A1019 -7.372 -5.662 0.335 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.789 -5.501 -2.243 1.00 0.00 H new ATOM 0 HB ILE A1019 -9.132 -7.791 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -7.413 -7.768 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -6.788 -7.729 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -10.172 -8.892 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -10.992 -7.366 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.877 -7.435 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -6.695 -9.995 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -7.818 -9.928 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -8.452 -9.967 -2.351 1.00 0.00 H new ATOM 931 N CYS A1020 -11.086 -5.294 -0.975 1.00 0.00 N ATOM 932 CA CYS A1020 -12.261 -4.774 -0.287 1.00 0.00 C ATOM 933 C CYS A1020 -13.289 -5.877 -0.063 1.00 0.00 C ATOM 934 O CYS A1020 -13.858 -6.411 -1.016 1.00 0.00 O ATOM 935 CB CYS A1020 -12.884 -3.630 -1.090 1.00 0.00 C ATOM 936 SG CYS A1020 -11.735 -2.262 -1.451 1.00 0.00 S ATOM 0 H CYS A1020 -11.269 -5.641 -1.916 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.946 -4.394 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -13.266 -4.027 -2.030 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -13.738 -3.237 -0.539 1.00 0.00 H new ATOM 941 N GLN A1021 -13.509 -6.227 1.200 1.00 0.00 N ATOM 942 CA GLN A1021 -14.391 -7.337 1.546 1.00 0.00 C ATOM 943 C GLN A1021 -15.853 -6.963 1.314 1.00 0.00 C ATOM 944 O GLN A1021 -16.728 -7.829 1.298 1.00 0.00 O ATOM 945 CB GLN A1021 -14.179 -7.744 3.007 1.00 0.00 C ATOM 946 CG GLN A1021 -14.970 -8.975 3.418 1.00 0.00 C ATOM 947 CD GLN A1021 -14.738 -9.361 4.866 1.00 0.00 C ATOM 948 OE1 GLN A1021 -13.835 -10.138 5.177 1.00 0.00 O ATOM 949 NE2 GLN A1021 -15.555 -8.818 5.762 1.00 0.00 N ATOM 0 H GLN A1021 -13.088 -5.758 2.002 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.146 -8.181 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.118 -7.932 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -14.459 -6.911 3.652 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -16.032 -8.789 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -14.695 -9.811 2.775 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -16.290 -8.179 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -15.447 -9.040 6.752 1.00 0.00 H new ATOM 958 N ARG A1022 -16.105 -5.668 1.136 1.00 0.00 N ATOM 959 CA ARG A1022 -17.459 -5.164 0.927 1.00 0.00 C ATOM 960 C ARG A1022 -18.330 -5.409 2.156 1.00 0.00 C ATOM 961 O ARG A1022 -18.632 -6.552 2.499 1.00 0.00 O ATOM 962 CB ARG A1022 -18.094 -5.818 -0.302 1.00 0.00 C ATOM 963 CG ARG A1022 -19.492 -5.307 -0.608 1.00 0.00 C ATOM 964 CD ARG A1022 -20.112 -6.047 -1.782 1.00 0.00 C ATOM 965 NE ARG A1022 -19.313 -5.914 -2.996 1.00 0.00 N ATOM 966 CZ ARG A1022 -19.530 -6.619 -4.103 1.00 0.00 C ATOM 967 NH1 ARG A1022 -20.519 -7.502 -4.149 1.00 0.00 N ATOM 968 NH2 ARG A1022 -18.759 -6.440 -5.166 1.00 0.00 N ATOM 0 H ARG A1022 -15.385 -4.946 1.133 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.392 -4.089 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -17.455 -5.643 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -18.136 -6.896 -0.149 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.124 -5.425 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -19.450 -4.241 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -20.217 -7.102 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -21.115 -5.662 -1.964 1.00 0.00 H new ATOM 0 HE ARG A1022 -18.545 -5.243 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -21.116 -7.642 -3.334 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -20.682 -8.041 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -17.998 -5.761 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -18.926 -6.981 -6.014 1.00 0.00 H new ATOM 982 N ILE A1023 -18.729 -4.327 2.814 1.00 0.00 N ATOM 983 CA ILE A1023 -19.555 -4.420 4.013 1.00 0.00 C ATOM 984 C ILE A1023 -21.009 -4.065 3.705 1.00 0.00 C ATOM 985 O ILE A1023 -21.287 -3.015 3.125 1.00 0.00 O ATOM 986 CB ILE A1023 -19.034 -3.490 5.126 1.00 0.00 C ATOM 987 CG1 ILE A1023 -17.567 -3.801 5.434 1.00 0.00 C ATOM 988 CG2 ILE A1023 -19.887 -3.632 6.378 1.00 0.00 C ATOM 989 CD1 ILE A1023 -16.937 -2.843 6.423 1.00 0.00 C ATOM 0 H ILE A1023 -18.494 -3.374 2.538 1.00 0.00 H new ATOM 0 HA ILE A1023 -19.501 -5.452 4.359 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.102 -2.459 4.780 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -17.494 -4.815 5.827 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -16.997 -3.778 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -19.506 -2.969 7.155 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -20.919 -3.366 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -19.848 -4.663 6.730 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -15.898 -3.126 6.592 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -16.977 -1.830 6.024 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -17.482 -2.883 7.366 1.00 0.00 H new ATOM 1001 N PRO A1024 -21.955 -4.938 4.094 1.00 0.00 N ATOM 1002 CA PRO A1024 -23.385 -4.703 3.865 1.00 0.00 C ATOM 1003 C PRO A1024 -23.928 -3.564 4.723 1.00 0.00 C ATOM 1004 O PRO A1024 -23.926 -2.411 4.243 1.00 0.00 O ATOM 1005 CB PRO A1024 -24.034 -6.031 4.264 1.00 0.00 C ATOM 1006 CG PRO A1024 -23.080 -6.643 5.231 1.00 0.00 C ATOM 1007 CD PRO A1024 -21.709 -6.219 4.785 1.00 0.00 C ATOM 1008 OXT PRO A1024 -24.351 -3.834 5.868 1.00 0.00 O ATOM 0 HA PRO A1024 -23.590 -4.408 2.836 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -25.012 -5.873 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -24.186 -6.674 3.397 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -23.282 -6.303 6.247 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -23.171 -7.729 5.234 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -21.032 -6.096 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -21.258 -6.955 4.119 1.00 0.00 H new