USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 180:sc= -0.682 USER MOD Set 1.2: A 65 THR OG1 : rot 57:sc= -5.45! USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.262 USER MOD Set 2.2: A 58 THR OG1 : rot 120:sc= -4.26! USER MOD Single : A 4 ASN : amide:sc= -5.81 K(o=-5.8,f=-7.3!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0994 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 13 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -9:sc= 0.298! USER MOD Single : A 24 THR OG1 : rot -93:sc= 1.23 USER MOD Single : A 29 SER OG : rot -32:sc= 0.142 USER MOD Single : A 31 SER OG : rot 180:sc= -0.13 USER MOD Single : A 32 HIS : no HD1:sc= -3.37 K(o=-3.4,f=-5.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 23:sc= 0.0552 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -130:sc= -0.406 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -104:sc= 0.0568 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 75 ASN : amide:sc= 0.513 K(o=0.51,f=-0.2) USER MOD Single : A 76 MET CE :methyl 169:sc= 0 (180deg=-0.192) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.459! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -140:sc= -1.45 USER MOD Single : A 92 GLN : amide:sc= 0.785 K(o=0.78,f=-0.96) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0846 K(o=-0.085,f=-0.74) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -8.204 8.402 7.402 1.00 0.00 N ATOM 50 CA ASN A 4 -7.778 7.749 6.175 1.00 0.00 C ATOM 51 C ASN A 4 -8.076 6.252 6.269 1.00 0.00 C ATOM 52 O ASN A 4 -8.165 5.700 7.365 1.00 0.00 O ATOM 53 CB ASN A 4 -6.273 7.919 5.956 1.00 0.00 C ATOM 54 CG ASN A 4 -5.687 6.713 5.218 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.731 6.615 4.003 1.00 0.00 O ATOM 56 ND2 ASN A 4 -5.138 5.804 6.018 1.00 0.00 N ATOM 0 HA ASN A 4 -8.318 8.205 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.085 8.827 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.773 8.040 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.720 4.962 5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.135 5.948 7.028 1.00 0.00 H new ATOM 63 N ASP A 5 -8.222 5.636 5.105 1.00 0.00 N ATOM 64 CA ASP A 5 -8.508 4.213 5.042 1.00 0.00 C ATOM 65 C ASP A 5 -7.192 3.434 4.991 1.00 0.00 C ATOM 66 O ASP A 5 -7.025 2.442 5.699 1.00 0.00 O ATOM 67 CB ASP A 5 -9.311 3.868 3.787 1.00 0.00 C ATOM 68 CG ASP A 5 -10.603 4.666 3.606 1.00 0.00 C ATOM 69 OD1 ASP A 5 -10.753 5.771 4.149 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.493 4.103 2.860 1.00 0.00 O ATOM 0 H ASP A 5 -8.148 6.097 4.198 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.088 3.946 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.678 4.027 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.558 2.807 3.812 1.00 0.00 H new ATOM 76 N ILE A 6 -6.291 3.912 4.145 1.00 0.00 N ATOM 77 CA ILE A 6 -4.995 3.273 3.992 1.00 0.00 C ATOM 78 C ILE A 6 -3.977 4.305 3.503 1.00 0.00 C ATOM 79 O ILE A 6 -4.301 5.161 2.681 1.00 0.00 O ATOM 80 CB ILE A 6 -5.108 2.044 3.087 1.00 0.00 C ATOM 81 CG1 ILE A 6 -3.730 1.601 2.591 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.078 2.300 1.932 1.00 0.00 C ATOM 83 CD1 ILE A 6 -3.798 0.214 1.948 1.00 0.00 C ATOM 0 H ILE A 6 -6.433 4.734 3.558 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.637 2.902 4.952 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.518 1.223 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.351 2.323 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.027 1.585 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.139 1.411 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.066 2.532 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.721 3.140 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.805 -0.077 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.155 -0.510 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.483 0.239 1.100 1.00 0.00 H new ATOM 95 N THR A 7 -2.767 4.191 4.030 1.00 0.00 N ATOM 96 CA THR A 7 -1.699 5.103 3.658 1.00 0.00 C ATOM 97 C THR A 7 -0.755 4.438 2.655 1.00 0.00 C ATOM 98 O THR A 7 -0.673 3.212 2.592 1.00 0.00 O ATOM 99 CB THR A 7 -1.000 5.561 4.939 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.109 4.440 5.814 1.00 0.00 O ATOM 101 CG2 THR A 7 -1.766 6.672 5.660 1.00 0.00 C ATOM 0 H THR A 7 -2.502 3.480 4.712 1.00 0.00 H new ATOM 0 HA THR A 7 -2.091 5.985 3.152 1.00 0.00 H new ATOM 0 HB THR A 7 0.004 5.910 4.699 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.679 4.650 6.669 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.226 6.960 6.562 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.859 7.536 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.759 6.313 5.930 1.00 0.00 H new ATOM 109 N PHE A 8 -0.065 5.276 1.894 1.00 0.00 N ATOM 110 CA PHE A 8 0.870 4.785 0.897 1.00 0.00 C ATOM 111 C PHE A 8 2.090 5.703 0.790 1.00 0.00 C ATOM 112 O PHE A 8 1.970 6.852 0.368 1.00 0.00 O ATOM 113 CB PHE A 8 0.133 4.777 -0.443 1.00 0.00 C ATOM 114 CG PHE A 8 -1.125 3.906 -0.457 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.318 4.427 -0.063 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.050 2.610 -0.863 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.485 3.618 -0.075 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.217 1.801 -0.875 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.409 2.322 -0.481 1.00 0.00 C ATOM 0 H PHE A 8 -0.135 6.292 1.949 1.00 0.00 H new ATOM 0 HA PHE A 8 1.220 3.791 1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.143 5.800 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.814 4.426 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.378 5.456 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.103 2.196 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.432 4.031 0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.157 0.772 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.296 1.707 -0.490 1.00 0.00 H new ATOM 129 N PHE A 9 3.235 5.161 1.178 1.00 0.00 N ATOM 130 CA PHE A 9 4.474 5.917 1.131 1.00 0.00 C ATOM 131 C PHE A 9 4.541 6.783 -0.129 1.00 0.00 C ATOM 132 O PHE A 9 3.832 6.527 -1.101 1.00 0.00 O ATOM 133 CB PHE A 9 5.617 4.901 1.098 1.00 0.00 C ATOM 134 CG PHE A 9 7.008 5.523 1.244 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.193 6.589 2.067 1.00 0.00 C ATOM 136 CD2 PHE A 9 8.059 5.009 0.550 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.483 7.166 2.202 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.349 5.586 0.686 1.00 0.00 C ATOM 139 CZ PHE A 9 9.534 6.652 1.509 1.00 0.00 C ATOM 0 H PHE A 9 3.330 4.207 1.526 1.00 0.00 H new ATOM 0 HA PHE A 9 4.540 6.576 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.468 4.176 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.573 4.351 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.359 6.997 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.912 4.162 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.630 8.013 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.184 5.178 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.516 7.091 1.612 1.00 0.00 H new ATOM 149 N GLN A 10 5.399 7.791 -0.071 1.00 0.00 N ATOM 150 CA GLN A 10 5.567 8.696 -1.195 1.00 0.00 C ATOM 151 C GLN A 10 5.769 7.904 -2.489 1.00 0.00 C ATOM 152 O GLN A 10 5.041 8.101 -3.461 1.00 0.00 O ATOM 153 CB GLN A 10 6.732 9.659 -0.954 1.00 0.00 C ATOM 154 CG GLN A 10 6.835 10.687 -2.083 1.00 0.00 C ATOM 155 CD GLN A 10 8.285 10.854 -2.541 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.106 11.467 -1.878 1.00 0.00 O ATOM 157 NE2 GLN A 10 8.553 10.277 -3.709 1.00 0.00 N ATOM 0 H GLN A 10 5.985 8.001 0.737 1.00 0.00 H new ATOM 0 HA GLN A 10 4.660 9.292 -1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.594 10.171 -0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.664 9.098 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.218 10.372 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.444 11.646 -1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.819 9.779 -4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.493 10.332 -4.101 1.00 0.00 H new ATOM 166 N ARG A 11 6.760 7.026 -2.458 1.00 0.00 N ATOM 167 CA ARG A 11 7.067 6.203 -3.617 1.00 0.00 C ATOM 168 C ARG A 11 5.802 5.507 -4.123 1.00 0.00 C ATOM 169 O ARG A 11 5.575 5.422 -5.329 1.00 0.00 O ATOM 170 CB ARG A 11 8.122 5.148 -3.279 1.00 0.00 C ATOM 171 CG ARG A 11 9.391 5.799 -2.726 1.00 0.00 C ATOM 172 CD ARG A 11 10.617 4.924 -2.994 1.00 0.00 C ATOM 173 NE ARG A 11 10.989 4.998 -4.424 1.00 0.00 N ATOM 174 CZ ARG A 11 11.745 5.979 -4.960 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.219 6.979 -4.187 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.016 5.945 -6.252 1.00 0.00 N ATOM 0 H ARG A 11 7.361 6.866 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 11 7.461 6.858 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.720 4.448 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.364 4.572 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.531 6.778 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.283 5.962 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.452 5.254 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.404 3.891 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 11 10.653 4.261 -5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.007 6.997 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.790 7.716 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.655 5.185 -6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.586 6.679 -6.673 1.00 0.00 H new ATOM 189 N PHE A 12 5.011 5.025 -3.175 1.00 0.00 N ATOM 190 CA PHE A 12 3.775 4.338 -3.510 1.00 0.00 C ATOM 191 C PHE A 12 2.724 5.322 -4.029 1.00 0.00 C ATOM 192 O PHE A 12 1.900 4.968 -4.870 1.00 0.00 O ATOM 193 CB PHE A 12 3.259 3.692 -2.222 1.00 0.00 C ATOM 194 CG PHE A 12 3.995 2.408 -1.833 1.00 0.00 C ATOM 195 CD1 PHE A 12 5.327 2.443 -1.560 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.317 1.231 -1.759 1.00 0.00 C ATOM 197 CE1 PHE A 12 6.009 1.252 -1.198 1.00 0.00 C ATOM 198 CE2 PHE A 12 3.999 0.040 -1.397 1.00 0.00 C ATOM 199 CZ PHE A 12 5.331 0.075 -1.124 1.00 0.00 C ATOM 0 H PHE A 12 5.202 5.097 -2.176 1.00 0.00 H new ATOM 0 HA PHE A 12 3.960 3.600 -4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.347 4.410 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.198 3.470 -2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.866 3.377 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.259 1.203 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.067 1.280 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.460 -0.894 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.850 -0.831 -0.849 1.00 0.00 H new ATOM 209 N GLN A 13 2.788 6.537 -3.505 1.00 0.00 N ATOM 210 CA GLN A 13 1.853 7.574 -3.905 1.00 0.00 C ATOM 211 C GLN A 13 2.087 7.966 -5.365 1.00 0.00 C ATOM 212 O GLN A 13 1.139 8.083 -6.140 1.00 0.00 O ATOM 213 CB GLN A 13 1.960 8.793 -2.986 1.00 0.00 C ATOM 214 CG GLN A 13 0.742 8.894 -2.066 1.00 0.00 C ATOM 215 CD GLN A 13 -0.077 10.149 -2.375 1.00 0.00 C ATOM 216 OE1 GLN A 13 -1.113 10.103 -3.017 1.00 0.00 O ATOM 217 NE2 GLN A 13 0.445 11.270 -1.885 1.00 0.00 N ATOM 0 H GLN A 13 3.473 6.826 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 13 0.841 7.178 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.868 8.723 -2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.043 9.699 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.117 8.009 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.068 8.915 -1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.316 11.238 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.026 12.162 -2.038 1.00 0.00 H new ATOM 226 N ASP A 14 3.355 8.159 -5.697 1.00 0.00 N ATOM 227 CA ASP A 14 3.726 8.535 -7.050 1.00 0.00 C ATOM 228 C ASP A 14 3.377 7.393 -8.006 1.00 0.00 C ATOM 229 O ASP A 14 2.721 7.608 -9.024 1.00 0.00 O ATOM 230 CB ASP A 14 5.229 8.798 -7.157 1.00 0.00 C ATOM 231 CG ASP A 14 5.790 8.783 -8.580 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.074 9.069 -9.552 1.00 0.00 O ATOM 233 OD2 ASP A 14 7.034 8.454 -8.673 1.00 0.00 O ATOM 0 H ASP A 14 4.139 8.062 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 14 3.182 9.444 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.446 9.767 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.756 8.048 -6.567 1.00 0.00 H new ATOM 239 N ASP A 15 3.832 6.202 -7.645 1.00 0.00 N ATOM 240 CA ASP A 15 3.577 5.025 -8.458 1.00 0.00 C ATOM 241 C ASP A 15 2.080 4.935 -8.762 1.00 0.00 C ATOM 242 O ASP A 15 1.686 4.735 -9.910 1.00 0.00 O ATOM 243 CB ASP A 15 3.987 3.748 -7.723 1.00 0.00 C ATOM 244 CG ASP A 15 4.503 2.621 -8.621 1.00 0.00 C ATOM 245 OD1 ASP A 15 3.744 1.726 -9.021 1.00 0.00 O ATOM 246 OD2 ASP A 15 5.757 2.688 -8.914 1.00 0.00 O ATOM 0 H ASP A 15 4.376 6.027 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 15 4.160 5.116 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.761 3.997 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.129 3.380 -7.160 1.00 0.00 H new ATOM 252 N ILE A 16 1.286 5.087 -7.712 1.00 0.00 N ATOM 253 CA ILE A 16 -0.159 5.026 -7.852 1.00 0.00 C ATOM 254 C ILE A 16 -0.627 6.156 -8.771 1.00 0.00 C ATOM 255 O ILE A 16 -1.462 5.942 -9.648 1.00 0.00 O ATOM 256 CB ILE A 16 -0.831 5.033 -6.477 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.438 3.795 -5.668 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.349 5.173 -6.609 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.588 4.051 -4.167 1.00 0.00 C ATOM 0 H ILE A 16 1.616 5.252 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.457 4.089 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.474 5.904 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.063 2.951 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.593 3.521 -5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.802 5.175 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.585 6.107 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.743 4.336 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.302 3.156 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.056 4.880 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.625 4.300 -3.942 1.00 0.00 H new ATOM 271 N LEU A 17 -0.068 7.335 -8.538 1.00 0.00 N ATOM 272 CA LEU A 17 -0.417 8.499 -9.334 1.00 0.00 C ATOM 273 C LEU A 17 -0.105 8.218 -10.805 1.00 0.00 C ATOM 274 O LEU A 17 -0.748 8.769 -11.696 1.00 0.00 O ATOM 275 CB LEU A 17 0.274 9.749 -8.786 1.00 0.00 C ATOM 276 CG LEU A 17 1.285 10.419 -9.718 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.588 11.374 -10.689 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.388 11.118 -8.920 1.00 0.00 C ATOM 0 H LEU A 17 0.624 7.509 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.486 8.699 -9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.492 10.480 -8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.784 9.482 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 17 1.763 9.643 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.330 11.837 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.129 10.819 -11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.066 12.148 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.093 11.586 -9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.946 11.880 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.912 10.386 -8.305 1.00 0.00 H new ATOM 290 N ALA A 18 0.884 7.361 -11.014 1.00 0.00 N ATOM 291 CA ALA A 18 1.290 7.000 -12.361 1.00 0.00 C ATOM 292 C ALA A 18 0.431 5.833 -12.853 1.00 0.00 C ATOM 293 O ALA A 18 0.738 5.218 -13.873 1.00 0.00 O ATOM 294 CB ALA A 18 2.784 6.671 -12.374 1.00 0.00 C ATOM 0 H ALA A 18 1.416 6.906 -10.272 1.00 0.00 H new ATOM 0 HA ALA A 18 1.135 7.835 -13.045 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.088 6.400 -13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.351 7.542 -12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.979 5.836 -11.701 1.00 0.00 H new ATOM 300 N GLY A 19 -0.627 5.562 -12.103 1.00 0.00 N ATOM 301 CA GLY A 19 -1.532 4.479 -12.450 1.00 0.00 C ATOM 302 C GLY A 19 -0.970 3.129 -11.999 1.00 0.00 C ATOM 303 O GLY A 19 -0.632 2.953 -10.829 1.00 0.00 O ATOM 0 H GLY A 19 -0.878 6.073 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.502 4.647 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.695 4.467 -13.528 1.00 0.00 H new ATOM 307 N ARG A 20 -0.887 2.211 -12.950 1.00 0.00 N ATOM 308 CA ARG A 20 -0.372 0.883 -12.666 1.00 0.00 C ATOM 309 C ARG A 20 -0.937 0.367 -11.341 1.00 0.00 C ATOM 310 O ARG A 20 -0.386 0.644 -10.277 1.00 0.00 O ATOM 311 CB ARG A 20 1.156 0.889 -12.593 1.00 0.00 C ATOM 312 CG ARG A 20 1.756 -0.129 -13.566 1.00 0.00 C ATOM 313 CD ARG A 20 1.582 0.331 -15.015 1.00 0.00 C ATOM 314 NE ARG A 20 1.533 -0.843 -15.916 1.00 0.00 N ATOM 315 CZ ARG A 20 1.742 -0.783 -17.248 1.00 0.00 C ATOM 316 NH1 ARG A 20 2.017 0.395 -17.847 1.00 0.00 N ATOM 317 NH2 ARG A 20 1.674 -1.895 -17.957 1.00 0.00 N ATOM 0 H ARG A 20 -1.168 2.361 -13.919 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.683 0.226 -13.478 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.531 1.885 -12.827 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.476 0.658 -11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.815 -0.265 -13.348 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.275 -1.097 -13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.666 0.913 -15.113 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.407 0.984 -15.300 1.00 0.00 H new ATOM 0 HE ARG A 20 1.329 -1.754 -15.504 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.068 1.249 -17.292 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.174 0.431 -18.854 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.466 -2.781 -17.497 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.829 -1.868 -18.965 1.00 0.00 H new ATOM 330 N LYS A 21 -2.030 -0.375 -11.449 1.00 0.00 N ATOM 331 CA LYS A 21 -2.675 -0.932 -10.272 1.00 0.00 C ATOM 332 C LYS A 21 -1.609 -1.488 -9.326 1.00 0.00 C ATOM 333 O LYS A 21 -0.492 -1.781 -9.748 1.00 0.00 O ATOM 334 CB LYS A 21 -3.734 -1.959 -10.678 1.00 0.00 C ATOM 335 CG LYS A 21 -3.109 -3.104 -11.478 1.00 0.00 C ATOM 336 CD LYS A 21 -3.263 -4.436 -10.742 1.00 0.00 C ATOM 337 CE LYS A 21 -3.518 -5.580 -11.726 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.286 -6.376 -11.925 1.00 0.00 N ATOM 0 H LYS A 21 -2.485 -0.603 -12.333 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.210 -0.155 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.221 -2.356 -9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.507 -1.474 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.583 -3.169 -12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.052 -2.899 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.362 -4.643 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.088 -4.371 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.315 -6.221 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.857 -5.178 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.476 -7.148 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.535 -5.765 -12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.980 -6.775 -11.015 1.00 0.00 H new ATOM 351 N THR A 22 -1.993 -1.616 -8.064 1.00 0.00 N ATOM 352 CA THR A 22 -1.084 -2.132 -7.055 1.00 0.00 C ATOM 353 C THR A 22 -1.866 -2.820 -5.934 1.00 0.00 C ATOM 354 O THR A 22 -3.020 -2.479 -5.677 1.00 0.00 O ATOM 355 CB THR A 22 -0.214 -0.972 -6.565 1.00 0.00 C ATOM 356 OG1 THR A 22 0.581 -0.633 -7.697 1.00 0.00 O ATOM 357 CG2 THR A 22 0.805 -1.410 -5.511 1.00 0.00 C ATOM 0 H THR A 22 -2.921 -1.371 -7.718 1.00 0.00 H new ATOM 0 HA THR A 22 -0.428 -2.898 -7.469 1.00 0.00 H new ATOM 0 HB THR A 22 -0.850 -0.190 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.454 -1.305 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.396 -0.550 -5.197 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.282 -1.825 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.464 -2.168 -5.935 1.00 0.00 H new ATOM 365 N ILE A 23 -1.207 -3.777 -5.298 1.00 0.00 N ATOM 366 CA ILE A 23 -1.826 -4.516 -4.211 1.00 0.00 C ATOM 367 C ILE A 23 -1.301 -3.987 -2.875 1.00 0.00 C ATOM 368 O ILE A 23 -0.154 -3.551 -2.784 1.00 0.00 O ATOM 369 CB ILE A 23 -1.620 -6.021 -4.400 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.646 -6.301 -5.546 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.958 -6.737 -4.597 1.00 0.00 C ATOM 372 CD1 ILE A 23 -0.522 -7.803 -5.806 1.00 0.00 C ATOM 0 H ILE A 23 -0.251 -4.058 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.905 -4.362 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.171 -6.421 -3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.989 -5.799 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.333 -5.888 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.783 -7.805 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.588 -6.578 -3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.457 -6.339 -5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.176 -7.974 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.155 -8.299 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.499 -8.208 -6.071 1.00 0.00 H new ATOM 384 N THR A 24 -2.164 -4.043 -1.872 1.00 0.00 N ATOM 385 CA THR A 24 -1.801 -3.574 -0.545 1.00 0.00 C ATOM 386 C THR A 24 -1.793 -4.738 0.448 1.00 0.00 C ATOM 387 O THR A 24 -2.165 -5.858 0.100 1.00 0.00 O ATOM 388 CB THR A 24 -2.768 -2.453 -0.159 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.975 -3.134 0.173 1.00 0.00 O ATOM 390 CG2 THR A 24 -3.151 -1.574 -1.351 1.00 0.00 C ATOM 0 H THR A 24 -3.114 -4.406 -1.951 1.00 0.00 H new ATOM 0 HA THR A 24 -0.789 -3.169 -0.532 1.00 0.00 H new ATOM 0 HB THR A 24 -2.316 -1.835 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.552 -3.181 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.838 -0.795 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.254 -1.115 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.633 -2.185 -2.114 1.00 0.00 H new ATOM 398 N ILE A 25 -1.365 -4.434 1.664 1.00 0.00 N ATOM 399 CA ILE A 25 -1.303 -5.441 2.710 1.00 0.00 C ATOM 400 C ILE A 25 -1.856 -4.854 4.010 1.00 0.00 C ATOM 401 O ILE A 25 -1.364 -3.836 4.495 1.00 0.00 O ATOM 402 CB ILE A 25 0.118 -5.992 2.840 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.593 -6.602 1.519 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.217 -6.987 3.998 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.430 -5.600 0.722 1.00 0.00 C ATOM 0 H ILE A 25 -1.058 -3.504 1.949 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.929 -6.296 2.454 1.00 0.00 H new ATOM 0 HB ILE A 25 0.786 -5.162 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.183 -7.496 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.268 -6.914 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.238 -7.363 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.051 -6.489 4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.465 -7.819 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.755 -6.059 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.829 -4.717 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.303 -5.309 1.306 1.00 0.00 H new ATOM 417 N ARG A 26 -2.872 -5.521 4.538 1.00 0.00 N ATOM 418 CA ARG A 26 -3.497 -5.078 5.773 1.00 0.00 C ATOM 419 C ARG A 26 -3.437 -6.187 6.825 1.00 0.00 C ATOM 420 O ARG A 26 -3.047 -7.314 6.523 1.00 0.00 O ATOM 421 CB ARG A 26 -4.957 -4.684 5.540 1.00 0.00 C ATOM 422 CG ARG A 26 -5.166 -4.173 4.113 1.00 0.00 C ATOM 423 CD ARG A 26 -4.641 -2.745 3.960 1.00 0.00 C ATOM 424 NE ARG A 26 -3.351 -2.755 3.236 1.00 0.00 N ATOM 425 CZ ARG A 26 -2.404 -1.801 3.363 1.00 0.00 C ATOM 426 NH1 ARG A 26 -2.596 -0.751 4.189 1.00 0.00 N ATOM 427 NH2 ARG A 26 -1.287 -1.911 2.667 1.00 0.00 N ATOM 0 H ARG A 26 -3.278 -6.365 4.133 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.949 -4.205 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.603 -5.544 5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.247 -3.912 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.655 -4.830 3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.227 -4.203 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.367 -2.138 3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.513 -2.289 4.942 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.165 -3.531 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.462 -0.674 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.876 -0.035 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.150 -2.708 2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.561 -1.199 2.751 1.00 0.00 H new ATOM 440 N ASP A 27 -3.828 -5.828 8.039 1.00 0.00 N ATOM 441 CA ASP A 27 -3.823 -6.779 9.138 1.00 0.00 C ATOM 442 C ASP A 27 -5.233 -7.344 9.324 1.00 0.00 C ATOM 443 O ASP A 27 -6.199 -6.589 9.430 1.00 0.00 O ATOM 444 CB ASP A 27 -3.408 -6.105 10.447 1.00 0.00 C ATOM 445 CG ASP A 27 -3.708 -6.910 11.713 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.591 -6.401 12.837 1.00 0.00 O ATOM 447 OD2 ASP A 27 -4.081 -8.128 11.509 1.00 0.00 O ATOM 0 H ASP A 27 -4.150 -4.892 8.286 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.112 -7.569 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.338 -5.901 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.914 -5.142 10.519 1.00 0.00 H new ATOM 453 N GLU A 28 -5.306 -8.666 9.358 1.00 0.00 N ATOM 454 CA GLU A 28 -6.582 -9.341 9.530 1.00 0.00 C ATOM 455 C GLU A 28 -7.291 -8.825 10.784 1.00 0.00 C ATOM 456 O GLU A 28 -8.500 -8.602 10.770 1.00 0.00 O ATOM 457 CB GLU A 28 -6.396 -10.858 9.590 1.00 0.00 C ATOM 458 CG GLU A 28 -7.626 -11.538 10.194 1.00 0.00 C ATOM 459 CD GLU A 28 -8.880 -11.232 9.373 1.00 0.00 C ATOM 460 OE1 GLU A 28 -8.993 -11.681 8.223 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.758 -10.499 9.971 1.00 0.00 O ATOM 0 H GLU A 28 -4.503 -9.288 9.269 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.208 -9.119 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.217 -11.246 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.515 -11.097 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.467 -12.616 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.767 -11.198 11.220 1.00 0.00 H new ATOM 469 N SER A 29 -6.508 -8.651 11.838 1.00 0.00 N ATOM 470 CA SER A 29 -7.045 -8.166 13.098 1.00 0.00 C ATOM 471 C SER A 29 -7.606 -6.754 12.918 1.00 0.00 C ATOM 472 O SER A 29 -8.317 -6.249 13.786 1.00 0.00 O ATOM 473 CB SER A 29 -5.977 -8.177 14.193 1.00 0.00 C ATOM 474 OG SER A 29 -6.519 -7.851 15.470 1.00 0.00 O ATOM 0 H SER A 29 -5.505 -8.837 11.845 1.00 0.00 H new ATOM 0 HA SER A 29 -7.849 -8.834 13.407 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.513 -9.162 14.237 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.191 -7.465 13.940 1.00 0.00 H new ATOM 0 HG SER A 29 -7.260 -7.219 15.359 1.00 0.00 H new ATOM 480 N GLU A 30 -7.266 -6.156 11.785 1.00 0.00 N ATOM 481 CA GLU A 30 -7.727 -4.812 11.481 1.00 0.00 C ATOM 482 C GLU A 30 -8.552 -4.814 10.192 1.00 0.00 C ATOM 483 O GLU A 30 -8.901 -3.754 9.673 1.00 0.00 O ATOM 484 CB GLU A 30 -6.551 -3.839 11.378 1.00 0.00 C ATOM 485 CG GLU A 30 -6.136 -3.334 12.762 1.00 0.00 C ATOM 486 CD GLU A 30 -6.886 -2.051 13.125 1.00 0.00 C ATOM 487 OE1 GLU A 30 -8.082 -1.925 12.821 1.00 0.00 O ATOM 488 OE2 GLU A 30 -6.184 -1.165 13.745 1.00 0.00 O ATOM 0 H GLU A 30 -6.677 -6.578 11.067 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.365 -4.474 12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.706 -4.333 10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.827 -2.995 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.339 -4.102 13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.062 -3.149 12.778 1.00 0.00 H new ATOM 496 N SER A 31 -8.839 -6.015 9.712 1.00 0.00 N ATOM 497 CA SER A 31 -9.616 -6.168 8.494 1.00 0.00 C ATOM 498 C SER A 31 -10.697 -5.087 8.423 1.00 0.00 C ATOM 499 O SER A 31 -11.677 -5.135 9.165 1.00 0.00 O ATOM 500 CB SER A 31 -10.250 -7.558 8.416 1.00 0.00 C ATOM 501 OG SER A 31 -11.649 -7.493 8.151 1.00 0.00 O ATOM 0 H SER A 31 -8.547 -6.891 10.145 1.00 0.00 H new ATOM 0 HA SER A 31 -8.943 -6.057 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.759 -8.137 7.633 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.083 -8.086 9.355 1.00 0.00 H new ATOM 0 HG SER A 31 -12.016 -8.401 8.108 1.00 0.00 H new ATOM 507 N HIS A 32 -10.482 -4.138 7.524 1.00 0.00 N ATOM 508 CA HIS A 32 -11.426 -3.047 7.347 1.00 0.00 C ATOM 509 C HIS A 32 -12.174 -3.226 6.024 1.00 0.00 C ATOM 510 O HIS A 32 -12.660 -4.315 5.724 1.00 0.00 O ATOM 511 CB HIS A 32 -10.718 -1.695 7.450 1.00 0.00 C ATOM 512 CG HIS A 32 -9.674 -1.465 6.384 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.484 -2.331 5.321 1.00 0.00 N ATOM 514 CD2 HIS A 32 -8.766 -0.459 6.228 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.503 -1.858 4.566 1.00 0.00 C ATOM 516 NE2 HIS A 32 -8.059 -0.698 5.130 1.00 0.00 N ATOM 0 H HIS A 32 -9.668 -4.102 6.910 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.165 -3.066 8.148 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.463 -0.901 7.392 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.246 -1.618 8.429 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.643 0.388 6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.122 -2.311 3.663 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.308 -0.111 4.768 1.00 0.00 H new ATOM 524 N PHE A 33 -12.244 -2.139 5.270 1.00 0.00 N ATOM 525 CA PHE A 33 -12.925 -2.162 3.986 1.00 0.00 C ATOM 526 C PHE A 33 -12.606 -3.447 3.219 1.00 0.00 C ATOM 527 O PHE A 33 -11.657 -4.154 3.553 1.00 0.00 O ATOM 528 CB PHE A 33 -12.410 -0.963 3.186 1.00 0.00 C ATOM 529 CG PHE A 33 -12.440 0.358 3.956 1.00 0.00 C ATOM 530 CD1 PHE A 33 -13.585 1.091 4.006 1.00 0.00 C ATOM 531 CD2 PHE A 33 -11.321 0.801 4.590 1.00 0.00 C ATOM 532 CE1 PHE A 33 -13.612 2.317 4.721 1.00 0.00 C ATOM 533 CE2 PHE A 33 -11.349 2.028 5.305 1.00 0.00 C ATOM 534 CZ PHE A 33 -12.494 2.760 5.355 1.00 0.00 C ATOM 0 H PHE A 33 -11.841 -1.237 5.523 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.004 -2.119 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.387 -1.164 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.009 -0.858 2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.473 0.740 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.412 0.220 4.550 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.521 2.898 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.461 2.380 5.809 1.00 0.00 H new ATOM 0 HZ PHE A 33 -12.515 3.693 5.898 1.00 0.00 H new ATOM 544 N LYS A 34 -13.419 -3.710 2.206 1.00 0.00 N ATOM 545 CA LYS A 34 -13.236 -4.897 1.389 1.00 0.00 C ATOM 546 C LYS A 34 -13.291 -4.507 -0.089 1.00 0.00 C ATOM 547 O LYS A 34 -13.243 -3.325 -0.425 1.00 0.00 O ATOM 548 CB LYS A 34 -14.247 -5.977 1.779 1.00 0.00 C ATOM 549 CG LYS A 34 -13.763 -6.769 2.995 1.00 0.00 C ATOM 550 CD LYS A 34 -14.931 -7.125 3.918 1.00 0.00 C ATOM 551 CE LYS A 34 -14.802 -8.558 4.436 1.00 0.00 C ATOM 552 NZ LYS A 34 -16.017 -8.949 5.186 1.00 0.00 N ATOM 0 H LYS A 34 -14.206 -3.121 1.933 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.254 -5.334 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.209 -5.516 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.404 -6.654 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.265 -7.681 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.026 -6.184 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.959 -6.432 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.872 -7.012 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.648 -9.241 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.927 -8.641 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.913 -9.925 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.147 -8.308 5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.845 -8.889 4.560 1.00 0.00 H new ATOM 565 N THR A 35 -13.390 -5.524 -0.933 1.00 0.00 N ATOM 566 CA THR A 35 -13.452 -5.302 -2.368 1.00 0.00 C ATOM 567 C THR A 35 -14.770 -4.623 -2.746 1.00 0.00 C ATOM 568 O THR A 35 -15.819 -4.941 -2.187 1.00 0.00 O ATOM 569 CB THR A 35 -13.241 -6.648 -3.064 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.083 -7.188 -2.432 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.828 -6.492 -4.529 1.00 0.00 C ATOM 0 H THR A 35 -13.429 -6.503 -0.651 1.00 0.00 H new ATOM 0 HA THR A 35 -12.666 -4.622 -2.697 1.00 0.00 H new ATOM 0 HB THR A 35 -14.158 -7.234 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.875 -8.063 -2.822 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.691 -7.477 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.605 -5.953 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.893 -5.935 -4.586 1.00 0.00 H new ATOM 579 N GLY A 36 -14.674 -3.701 -3.692 1.00 0.00 N ATOM 580 CA GLY A 36 -15.845 -2.975 -4.152 1.00 0.00 C ATOM 581 C GLY A 36 -15.993 -1.646 -3.407 1.00 0.00 C ATOM 582 O GLY A 36 -16.763 -0.781 -3.822 1.00 0.00 O ATOM 0 H GLY A 36 -13.802 -3.440 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.765 -2.789 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.737 -3.583 -4.000 1.00 0.00 H new ATOM 586 N ASP A 37 -15.243 -1.526 -2.322 1.00 0.00 N ATOM 587 CA ASP A 37 -15.281 -0.318 -1.516 1.00 0.00 C ATOM 588 C ASP A 37 -14.259 0.684 -2.057 1.00 0.00 C ATOM 589 O ASP A 37 -13.680 0.471 -3.121 1.00 0.00 O ATOM 590 CB ASP A 37 -14.924 -0.616 -0.058 1.00 0.00 C ATOM 591 CG ASP A 37 -16.110 -0.633 0.908 1.00 0.00 C ATOM 592 OD1 ASP A 37 -16.172 0.162 1.858 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.011 -1.520 0.651 1.00 0.00 O ATOM 0 H ASP A 37 -14.605 -2.246 -1.982 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.292 0.087 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.424 -1.584 -0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.207 0.130 0.284 1.00 0.00 H new ATOM 599 N VAL A 38 -14.068 1.754 -1.300 1.00 0.00 N ATOM 600 CA VAL A 38 -13.126 2.789 -1.691 1.00 0.00 C ATOM 601 C VAL A 38 -11.881 2.699 -0.806 1.00 0.00 C ATOM 602 O VAL A 38 -11.966 2.290 0.351 1.00 0.00 O ATOM 603 CB VAL A 38 -13.802 4.160 -1.635 1.00 0.00 C ATOM 604 CG1 VAL A 38 -12.927 5.173 -0.894 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.149 4.659 -3.039 1.00 0.00 C ATOM 0 H VAL A 38 -14.550 1.927 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.803 2.643 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.733 4.051 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.431 6.139 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.754 4.827 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.972 5.275 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.628 5.635 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.238 4.743 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.829 3.954 -3.518 1.00 0.00 H new ATOM 615 N LEU A 39 -10.754 3.089 -1.384 1.00 0.00 N ATOM 616 CA LEU A 39 -9.494 3.058 -0.663 1.00 0.00 C ATOM 617 C LEU A 39 -8.873 4.456 -0.668 1.00 0.00 C ATOM 618 O LEU A 39 -8.320 4.890 -1.678 1.00 0.00 O ATOM 619 CB LEU A 39 -8.576 1.975 -1.234 1.00 0.00 C ATOM 620 CG LEU A 39 -8.145 0.878 -0.259 1.00 0.00 C ATOM 621 CD1 LEU A 39 -9.113 0.781 0.921 1.00 0.00 C ATOM 622 CD2 LEU A 39 -7.983 -0.463 -0.979 1.00 0.00 C ATOM 0 H LEU A 39 -10.688 3.428 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.659 2.786 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.082 1.505 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.681 2.456 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.169 1.146 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.783 -0.007 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.134 1.732 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.112 0.548 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.676 -1.226 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.932 -0.750 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.225 -0.369 -1.757 1.00 0.00 H new ATOM 634 N ARG A 40 -8.986 5.123 0.471 1.00 0.00 N ATOM 635 CA ARG A 40 -8.443 6.464 0.610 1.00 0.00 C ATOM 636 C ARG A 40 -6.915 6.415 0.658 1.00 0.00 C ATOM 637 O ARG A 40 -6.338 5.787 1.545 1.00 0.00 O ATOM 638 CB ARG A 40 -8.965 7.141 1.879 1.00 0.00 C ATOM 639 CG ARG A 40 -9.579 8.506 1.559 1.00 0.00 C ATOM 640 CD ARG A 40 -10.206 9.131 2.807 1.00 0.00 C ATOM 641 NE ARG A 40 -11.583 8.621 2.991 1.00 0.00 N ATOM 642 CZ ARG A 40 -12.450 9.098 3.909 1.00 0.00 C ATOM 643 NH1 ARG A 40 -12.089 10.102 4.736 1.00 0.00 N ATOM 644 NH2 ARG A 40 -13.657 8.568 3.986 1.00 0.00 N ATOM 0 H ARG A 40 -9.445 4.760 1.306 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.765 7.043 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.712 6.505 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.150 7.263 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.811 9.170 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.337 8.395 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.602 8.896 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.221 10.217 2.712 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.896 7.862 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.155 10.506 4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.750 10.456 5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.922 7.810 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.324 8.917 4.674 1.00 0.00 H new ATOM 657 N VAL A 41 -6.302 7.086 -0.306 1.00 0.00 N ATOM 658 CA VAL A 41 -4.852 7.127 -0.384 1.00 0.00 C ATOM 659 C VAL A 41 -4.360 8.505 0.061 1.00 0.00 C ATOM 660 O VAL A 41 -4.913 9.526 -0.344 1.00 0.00 O ATOM 661 CB VAL A 41 -4.393 6.756 -1.796 1.00 0.00 C ATOM 662 CG1 VAL A 41 -4.730 5.298 -2.117 1.00 0.00 C ATOM 663 CG2 VAL A 41 -5.001 7.700 -2.836 1.00 0.00 C ATOM 0 H VAL A 41 -6.783 7.606 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.413 6.392 0.290 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.309 6.866 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.393 5.060 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.229 4.643 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.808 5.151 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.659 7.414 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.088 7.636 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.689 8.723 -2.625 1.00 0.00 H new ATOM 673 N GLY A 42 -3.326 8.490 0.889 1.00 0.00 N ATOM 674 CA GLY A 42 -2.753 9.726 1.394 1.00 0.00 C ATOM 675 C GLY A 42 -1.230 9.723 1.253 1.00 0.00 C ATOM 676 O GLY A 42 -0.702 9.399 0.190 1.00 0.00 O ATOM 0 H GLY A 42 -2.870 7.641 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.170 10.573 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.024 9.855 2.442 1.00 0.00 H new ATOM 680 N ARG A 43 -0.566 10.087 2.340 1.00 0.00 N ATOM 681 CA ARG A 43 0.887 10.130 2.351 1.00 0.00 C ATOM 682 C ARG A 43 1.410 10.031 3.785 1.00 0.00 C ATOM 683 O ARG A 43 0.988 10.788 4.657 1.00 0.00 O ATOM 684 CB ARG A 43 1.404 11.421 1.714 1.00 0.00 C ATOM 685 CG ARG A 43 2.844 11.253 1.224 1.00 0.00 C ATOM 686 CD ARG A 43 3.490 12.611 0.943 1.00 0.00 C ATOM 687 NE ARG A 43 4.886 12.423 0.490 1.00 0.00 N ATOM 688 CZ ARG A 43 5.801 13.413 0.424 1.00 0.00 C ATOM 689 NH1 ARG A 43 5.473 14.673 0.783 1.00 0.00 N ATOM 690 NH2 ARG A 43 7.020 13.132 0.004 1.00 0.00 N ATOM 0 H ARG A 43 -1.007 10.355 3.220 1.00 0.00 H new ATOM 0 HA ARG A 43 1.249 9.282 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.762 11.701 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.355 12.233 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.427 10.717 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.855 10.647 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.920 13.143 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.471 13.225 1.843 1.00 0.00 H new ATOM 0 HE ARG A 43 5.175 11.486 0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.528 14.882 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.170 15.416 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.259 12.178 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.723 13.869 -0.052 1.00 0.00 H new ATOM 813 N CYS A 51 -6.005 11.383 -2.319 1.00 0.00 N ATOM 814 CA CYS A 51 -7.091 11.096 -3.241 1.00 0.00 C ATOM 815 C CYS A 51 -7.772 9.802 -2.793 1.00 0.00 C ATOM 816 O CYS A 51 -7.348 9.177 -1.822 1.00 0.00 O ATOM 817 CB CYS A 51 -6.598 11.010 -4.687 1.00 0.00 C ATOM 818 SG CYS A 51 -5.441 12.384 -5.036 1.00 0.00 S ATOM 0 HA CYS A 51 -7.814 11.912 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.102 10.054 -4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.445 11.054 -5.372 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.921 12.807 -3.922 1.00 0.00 H new ATOM 824 N THR A 52 -8.818 9.438 -3.521 1.00 0.00 N ATOM 825 CA THR A 52 -9.562 8.229 -3.210 1.00 0.00 C ATOM 826 C THR A 52 -9.555 7.276 -4.407 1.00 0.00 C ATOM 827 O THR A 52 -9.607 7.715 -5.555 1.00 0.00 O ATOM 828 CB THR A 52 -10.968 8.640 -2.770 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.765 9.849 -2.043 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.562 7.680 -1.737 1.00 0.00 C ATOM 0 H THR A 52 -9.168 9.959 -4.325 1.00 0.00 H new ATOM 0 HA THR A 52 -9.097 7.678 -2.392 1.00 0.00 H new ATOM 0 HB THR A 52 -11.622 8.686 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.627 10.186 -1.722 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.560 8.017 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.623 6.679 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.926 7.659 -0.852 1.00 0.00 H new ATOM 838 N ILE A 53 -9.490 5.990 -4.098 1.00 0.00 N ATOM 839 CA ILE A 53 -9.475 4.971 -5.134 1.00 0.00 C ATOM 840 C ILE A 53 -10.457 3.858 -4.762 1.00 0.00 C ATOM 841 O ILE A 53 -11.014 3.857 -3.665 1.00 0.00 O ATOM 842 CB ILE A 53 -8.048 4.476 -5.378 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.635 3.449 -4.321 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.067 5.647 -5.453 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.409 2.656 -4.777 1.00 0.00 C ATOM 0 H ILE A 53 -9.447 5.630 -3.145 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.810 5.388 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.022 3.972 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.415 3.957 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.463 2.767 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.060 5.268 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.352 6.309 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.089 6.201 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.136 1.933 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.640 2.130 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.576 3.339 -4.945 1.00 0.00 H new ATOM 857 N GLU A 54 -10.639 2.937 -5.697 1.00 0.00 N ATOM 858 CA GLU A 54 -11.544 1.820 -5.482 1.00 0.00 C ATOM 859 C GLU A 54 -10.780 0.497 -5.550 1.00 0.00 C ATOM 860 O GLU A 54 -9.783 0.388 -6.263 1.00 0.00 O ATOM 861 CB GLU A 54 -12.693 1.843 -6.492 1.00 0.00 C ATOM 862 CG GLU A 54 -14.018 2.185 -5.807 1.00 0.00 C ATOM 863 CD GLU A 54 -15.171 2.182 -6.813 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.858 3.202 -6.971 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.342 1.070 -7.443 1.00 0.00 O ATOM 0 H GLU A 54 -10.175 2.941 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.977 1.915 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.483 2.576 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.772 0.872 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.219 1.463 -5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.945 3.165 -5.334 1.00 0.00 H new ATOM 873 N VAL A 55 -11.276 -0.476 -4.799 1.00 0.00 N ATOM 874 CA VAL A 55 -10.652 -1.788 -4.766 1.00 0.00 C ATOM 875 C VAL A 55 -10.926 -2.511 -6.086 1.00 0.00 C ATOM 876 O VAL A 55 -11.877 -2.183 -6.793 1.00 0.00 O ATOM 877 CB VAL A 55 -11.140 -2.568 -3.544 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.021 -3.437 -2.966 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.706 -1.625 -2.481 1.00 0.00 C ATOM 0 H VAL A 55 -12.103 -0.382 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.571 -1.695 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.944 -3.228 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.394 -3.981 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.684 -4.147 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.187 -2.803 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.046 -2.206 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.931 -0.928 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.546 -1.069 -2.898 1.00 0.00 H new ATOM 889 N THR A 56 -10.074 -3.483 -6.379 1.00 0.00 N ATOM 890 CA THR A 56 -10.212 -4.256 -7.601 1.00 0.00 C ATOM 891 C THR A 56 -10.231 -5.753 -7.286 1.00 0.00 C ATOM 892 O THR A 56 -11.027 -6.501 -7.854 1.00 0.00 O ATOM 893 CB THR A 56 -9.082 -3.849 -8.548 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.502 -4.335 -9.820 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.783 -4.608 -8.270 1.00 0.00 C ATOM 0 H THR A 56 -9.286 -3.753 -5.791 1.00 0.00 H new ATOM 0 HA THR A 56 -11.161 -4.048 -8.095 1.00 0.00 H new ATOM 0 HB THR A 56 -8.903 -2.778 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.774 -4.846 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.014 -4.281 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.455 -4.406 -7.250 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.953 -5.678 -8.392 1.00 0.00 H new ATOM 903 N ALA A 57 -9.346 -6.147 -6.383 1.00 0.00 N ATOM 904 CA ALA A 57 -9.251 -7.541 -5.986 1.00 0.00 C ATOM 905 C ALA A 57 -8.631 -7.628 -4.590 1.00 0.00 C ATOM 906 O ALA A 57 -8.130 -6.634 -4.065 1.00 0.00 O ATOM 907 CB ALA A 57 -8.446 -8.316 -7.031 1.00 0.00 C ATOM 0 H ALA A 57 -8.688 -5.525 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.241 -7.994 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.375 -9.362 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.944 -8.247 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.445 -7.892 -7.107 1.00 0.00 H new ATOM 913 N THR A 58 -8.683 -8.827 -4.027 1.00 0.00 N ATOM 914 CA THR A 58 -8.133 -9.057 -2.702 1.00 0.00 C ATOM 915 C THR A 58 -7.579 -10.479 -2.594 1.00 0.00 C ATOM 916 O THR A 58 -8.061 -11.390 -3.266 1.00 0.00 O ATOM 917 CB THR A 58 -9.227 -8.752 -1.677 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.202 -7.332 -1.555 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.871 -9.252 -0.275 1.00 0.00 C ATOM 0 H THR A 58 -9.098 -9.649 -4.465 1.00 0.00 H new ATOM 0 HA THR A 58 -7.288 -8.397 -2.504 1.00 0.00 H new ATOM 0 HB THR A 58 -10.163 -9.208 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.074 -6.966 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.680 -9.010 0.414 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.726 -10.332 -0.300 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.953 -8.770 0.061 1.00 0.00 H new ATOM 927 N SER A 59 -6.573 -10.624 -1.745 1.00 0.00 N ATOM 928 CA SER A 59 -5.947 -11.920 -1.540 1.00 0.00 C ATOM 929 C SER A 59 -5.264 -11.961 -0.172 1.00 0.00 C ATOM 930 O SER A 59 -5.136 -10.934 0.493 1.00 0.00 O ATOM 931 CB SER A 59 -4.937 -12.225 -2.648 1.00 0.00 C ATOM 932 OG SER A 59 -4.715 -11.099 -3.493 1.00 0.00 O ATOM 0 H SER A 59 -6.175 -9.866 -1.191 1.00 0.00 H new ATOM 0 HA SER A 59 -6.724 -12.684 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.992 -12.535 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.297 -13.062 -3.246 1.00 0.00 H new ATOM 0 HG SER A 59 -4.063 -11.334 -4.186 1.00 0.00 H new ATOM 938 N THR A 60 -4.841 -13.158 0.207 1.00 0.00 N ATOM 939 CA THR A 60 -4.174 -13.346 1.484 1.00 0.00 C ATOM 940 C THR A 60 -2.714 -13.749 1.268 1.00 0.00 C ATOM 941 O THR A 60 -2.426 -14.895 0.928 1.00 0.00 O ATOM 942 CB THR A 60 -4.974 -14.372 2.289 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.668 -15.126 1.299 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.089 -13.727 3.116 1.00 0.00 C ATOM 0 H THR A 60 -4.947 -14.007 -0.348 1.00 0.00 H new ATOM 0 HA THR A 60 -4.142 -12.417 2.054 1.00 0.00 H new ATOM 0 HB THR A 60 -4.301 -14.919 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.211 -15.816 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.626 -14.499 3.668 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.656 -13.014 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.781 -13.208 2.452 1.00 0.00 H new ATOM 952 N VAL A 61 -1.830 -12.783 1.475 1.00 0.00 N ATOM 953 CA VAL A 61 -0.407 -13.022 1.307 1.00 0.00 C ATOM 954 C VAL A 61 0.378 -12.007 2.140 1.00 0.00 C ATOM 955 O VAL A 61 -0.201 -11.078 2.701 1.00 0.00 O ATOM 956 CB VAL A 61 -0.042 -12.987 -0.178 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.979 -14.075 -0.518 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.291 -13.115 -1.053 1.00 0.00 C ATOM 0 H VAL A 61 -2.072 -11.833 1.758 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.141 -14.015 1.670 1.00 0.00 H new ATOM 0 HB VAL A 61 0.416 -12.020 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.221 -14.028 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.885 -13.920 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.559 -15.054 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.003 -13.087 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.790 -14.060 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.970 -12.289 -0.841 1.00 0.00 H new ATOM 968 N THR A 62 1.685 -12.218 2.194 1.00 0.00 N ATOM 969 CA THR A 62 2.555 -11.333 2.949 1.00 0.00 C ATOM 970 C THR A 62 2.687 -9.983 2.241 1.00 0.00 C ATOM 971 O THR A 62 1.795 -9.579 1.496 1.00 0.00 O ATOM 972 CB THR A 62 3.894 -12.046 3.152 1.00 0.00 C ATOM 973 OG1 THR A 62 3.568 -13.430 3.056 1.00 0.00 O ATOM 974 CG2 THR A 62 4.432 -11.888 4.575 1.00 0.00 C ATOM 0 H THR A 62 2.162 -12.989 1.727 1.00 0.00 H new ATOM 0 HA THR A 62 2.137 -11.110 3.931 1.00 0.00 H new ATOM 0 HB THR A 62 4.624 -11.656 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.380 -13.966 3.174 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.383 -12.413 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.579 -10.830 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.718 -12.308 5.283 1.00 0.00 H new ATOM 982 N LEU A 63 3.807 -9.323 2.497 1.00 0.00 N ATOM 983 CA LEU A 63 4.067 -8.027 1.894 1.00 0.00 C ATOM 984 C LEU A 63 5.030 -8.202 0.717 1.00 0.00 C ATOM 985 O LEU A 63 4.643 -8.027 -0.437 1.00 0.00 O ATOM 986 CB LEU A 63 4.558 -7.034 2.948 1.00 0.00 C ATOM 987 CG LEU A 63 5.659 -7.538 3.883 1.00 0.00 C ATOM 988 CD1 LEU A 63 6.974 -6.798 3.630 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.222 -7.444 5.346 1.00 0.00 C ATOM 0 H LEU A 63 4.545 -9.662 3.114 1.00 0.00 H new ATOM 0 HA LEU A 63 3.147 -7.601 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.923 -6.143 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.706 -6.727 3.555 1.00 0.00 H new ATOM 0 HG LEU A 63 5.835 -8.592 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.740 -7.175 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.290 -6.959 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.830 -5.731 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.023 -7.809 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.002 -6.406 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.329 -8.051 5.499 1.00 0.00 H new ATOM 1001 N ASP A 64 6.266 -8.543 1.051 1.00 0.00 N ATOM 1002 CA ASP A 64 7.287 -8.743 0.037 1.00 0.00 C ATOM 1003 C ASP A 64 6.822 -9.821 -0.944 1.00 0.00 C ATOM 1004 O ASP A 64 7.444 -10.029 -1.984 1.00 0.00 O ATOM 1005 CB ASP A 64 8.602 -9.210 0.664 1.00 0.00 C ATOM 1006 CG ASP A 64 9.866 -8.665 -0.003 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.804 -7.751 -0.839 1.00 0.00 O ATOM 1008 OD2 ASP A 64 10.966 -9.226 0.371 1.00 0.00 O ATOM 0 H ASP A 64 6.583 -8.686 2.010 1.00 0.00 H new ATOM 0 HA ASP A 64 7.447 -7.792 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.610 -8.919 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.635 -10.299 0.634 1.00 0.00 H new ATOM 1014 N THR A 65 5.731 -10.478 -0.577 1.00 0.00 N ATOM 1015 CA THR A 65 5.175 -11.529 -1.412 1.00 0.00 C ATOM 1016 C THR A 65 4.452 -10.927 -2.618 1.00 0.00 C ATOM 1017 O THR A 65 3.931 -11.655 -3.462 1.00 0.00 O ATOM 1018 CB THR A 65 4.274 -12.402 -0.536 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.774 -11.503 0.451 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.063 -13.437 0.268 1.00 0.00 C ATOM 0 H THR A 65 5.218 -10.303 0.287 1.00 0.00 H new ATOM 0 HA THR A 65 5.960 -12.161 -1.827 1.00 0.00 H new ATOM 0 HB THR A 65 3.542 -12.911 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.318 -10.755 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.376 -14.029 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.604 -14.093 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.772 -12.927 0.920 1.00 0.00 H new ATOM 1028 N LEU A 66 4.442 -9.602 -2.660 1.00 0.00 N ATOM 1029 CA LEU A 66 3.790 -8.893 -3.749 1.00 0.00 C ATOM 1030 C LEU A 66 4.061 -7.394 -3.609 1.00 0.00 C ATOM 1031 O LEU A 66 4.334 -6.714 -4.598 1.00 0.00 O ATOM 1032 CB LEU A 66 2.303 -9.247 -3.804 1.00 0.00 C ATOM 1033 CG LEU A 66 1.563 -9.247 -2.465 1.00 0.00 C ATOM 1034 CD1 LEU A 66 1.017 -7.855 -2.140 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.465 -10.312 -2.445 1.00 0.00 C ATOM 0 H LEU A 66 4.875 -9.001 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 66 4.203 -9.204 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.807 -8.542 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.202 -10.235 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 66 2.276 -9.505 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.496 -7.883 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.842 -7.145 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.324 -7.544 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.045 -10.291 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.252 -10.110 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.909 -11.295 -2.598 1.00 0.00 H new ATOM 1047 N THR A 67 3.977 -6.922 -2.374 1.00 0.00 N ATOM 1048 CA THR A 67 4.210 -5.516 -2.093 1.00 0.00 C ATOM 1049 C THR A 67 5.420 -5.008 -2.878 1.00 0.00 C ATOM 1050 O THR A 67 6.312 -5.783 -3.221 1.00 0.00 O ATOM 1051 CB THR A 67 4.357 -5.355 -0.578 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.933 -4.018 -0.328 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.819 -5.373 -0.127 1.00 0.00 C ATOM 0 H THR A 67 3.751 -7.489 -1.557 1.00 0.00 H new ATOM 0 HA THR A 67 3.370 -4.903 -2.420 1.00 0.00 H new ATOM 0 HB THR A 67 3.812 -6.153 -0.074 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.995 -3.829 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.867 -5.255 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.275 -6.322 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.357 -4.555 -0.605 1.00 0.00 H new ATOM 1061 N GLU A 68 5.413 -3.709 -3.140 1.00 0.00 N ATOM 1062 CA GLU A 68 6.500 -3.089 -3.879 1.00 0.00 C ATOM 1063 C GLU A 68 7.849 -3.514 -3.296 1.00 0.00 C ATOM 1064 O GLU A 68 8.866 -3.478 -3.986 1.00 0.00 O ATOM 1065 CB GLU A 68 6.360 -1.565 -3.883 1.00 0.00 C ATOM 1066 CG GLU A 68 5.662 -1.082 -5.156 1.00 0.00 C ATOM 1067 CD GLU A 68 6.176 0.297 -5.573 1.00 0.00 C ATOM 1068 OE1 GLU A 68 5.501 1.309 -5.332 1.00 0.00 O ATOM 1069 OE2 GLU A 68 7.322 0.296 -6.167 1.00 0.00 O ATOM 0 H GLU A 68 4.672 -3.069 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 68 6.451 -3.429 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.792 -1.246 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.346 -1.105 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.832 -1.796 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.586 -1.038 -4.991 1.00 0.00 H new ATOM 1077 N LYS A 69 7.813 -3.908 -2.031 1.00 0.00 N ATOM 1078 CA LYS A 69 9.020 -4.340 -1.347 1.00 0.00 C ATOM 1079 C LYS A 69 9.758 -5.358 -2.219 1.00 0.00 C ATOM 1080 O LYS A 69 10.983 -5.456 -2.163 1.00 0.00 O ATOM 1081 CB LYS A 69 8.687 -4.856 0.054 1.00 0.00 C ATOM 1082 CG LYS A 69 9.959 -5.071 0.876 1.00 0.00 C ATOM 1083 CD LYS A 69 9.698 -6.011 2.055 1.00 0.00 C ATOM 1084 CE LYS A 69 10.883 -6.019 3.022 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.754 -7.188 2.767 1.00 0.00 N ATOM 0 H LYS A 69 6.967 -3.937 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 69 9.696 -3.498 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.037 -4.144 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.136 -5.793 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.741 -5.487 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.324 -4.112 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.796 -5.698 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.518 -7.021 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.457 -5.099 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.521 -6.046 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.594 -7.907 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.531 -7.590 1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.750 -6.890 2.786 1.00 0.00 H new ATOM 1098 N HIS A 70 8.982 -6.090 -3.004 1.00 0.00 N ATOM 1099 CA HIS A 70 9.546 -7.098 -3.886 1.00 0.00 C ATOM 1100 C HIS A 70 10.312 -6.415 -5.021 1.00 0.00 C ATOM 1101 O HIS A 70 11.489 -6.698 -5.238 1.00 0.00 O ATOM 1102 CB HIS A 70 8.459 -8.047 -4.392 1.00 0.00 C ATOM 1103 CG HIS A 70 8.879 -8.887 -5.575 1.00 0.00 C ATOM 1104 ND1 HIS A 70 10.011 -9.683 -5.565 1.00 0.00 N ATOM 1105 CD2 HIS A 70 8.306 -9.047 -6.802 1.00 0.00 C ATOM 1106 CE1 HIS A 70 10.106 -10.289 -6.739 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.049 -9.893 -7.505 1.00 0.00 N ATOM 0 H HIS A 70 7.966 -6.005 -3.048 1.00 0.00 H new ATOM 0 HA HIS A 70 10.256 -7.714 -3.334 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.160 -8.708 -3.578 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.581 -7.463 -4.667 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.401 -8.567 -7.144 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.884 -10.976 -7.037 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.861 -10.197 -8.460 1.00 0.00 H new ATOM 1115 N ALA A 71 9.613 -5.529 -5.714 1.00 0.00 N ATOM 1116 CA ALA A 71 10.213 -4.803 -6.821 1.00 0.00 C ATOM 1117 C ALA A 71 11.440 -4.040 -6.320 1.00 0.00 C ATOM 1118 O ALA A 71 12.448 -3.951 -7.019 1.00 0.00 O ATOM 1119 CB ALA A 71 9.168 -3.880 -7.452 1.00 0.00 C ATOM 0 H ALA A 71 8.637 -5.297 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 71 10.549 -5.492 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.618 -3.335 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.331 -4.475 -7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.810 -3.172 -6.705 1.00 0.00 H new ATOM 1125 N GLU A 72 11.314 -3.508 -5.113 1.00 0.00 N ATOM 1126 CA GLU A 72 12.400 -2.755 -4.510 1.00 0.00 C ATOM 1127 C GLU A 72 13.541 -3.694 -4.114 1.00 0.00 C ATOM 1128 O GLU A 72 14.710 -3.389 -4.346 1.00 0.00 O ATOM 1129 CB GLU A 72 11.908 -1.951 -3.305 1.00 0.00 C ATOM 1130 CG GLU A 72 12.482 -0.533 -3.320 1.00 0.00 C ATOM 1131 CD GLU A 72 11.563 0.438 -2.575 1.00 0.00 C ATOM 1132 OE1 GLU A 72 12.015 1.141 -1.659 1.00 0.00 O ATOM 1133 OE2 GLU A 72 10.338 0.448 -2.980 1.00 0.00 O ATOM 0 H GLU A 72 10.476 -3.584 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 72 12.778 -2.047 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.819 -1.906 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.199 -2.455 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.469 -0.532 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.611 -0.200 -4.350 1.00 0.00 H new ATOM 1141 N GLN A 73 13.162 -4.817 -3.522 1.00 0.00 N ATOM 1142 CA GLN A 73 14.139 -5.803 -3.091 1.00 0.00 C ATOM 1143 C GLN A 73 15.100 -6.133 -4.235 1.00 0.00 C ATOM 1144 O GLN A 73 16.295 -6.318 -4.013 1.00 0.00 O ATOM 1145 CB GLN A 73 13.451 -7.066 -2.571 1.00 0.00 C ATOM 1146 CG GLN A 73 13.683 -7.238 -1.069 1.00 0.00 C ATOM 1147 CD GLN A 73 14.005 -8.694 -0.727 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.413 -9.626 -1.246 1.00 0.00 O ATOM 1149 NE2 GLN A 73 14.974 -8.837 0.173 1.00 0.00 N ATOM 0 H GLN A 73 12.192 -5.066 -3.331 1.00 0.00 H new ATOM 0 HA GLN A 73 14.716 -5.379 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.381 -7.011 -2.773 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.832 -7.937 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.503 -6.595 -0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.796 -6.920 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.429 -8.014 0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.263 -9.770 0.468 1.00 0.00 H new ATOM 1158 N GLU A 74 14.541 -6.196 -5.435 1.00 0.00 N ATOM 1159 CA GLU A 74 15.334 -6.501 -6.614 1.00 0.00 C ATOM 1160 C GLU A 74 15.733 -5.211 -7.333 1.00 0.00 C ATOM 1161 O GLU A 74 15.944 -5.211 -8.545 1.00 0.00 O ATOM 1162 CB GLU A 74 14.578 -7.442 -7.555 1.00 0.00 C ATOM 1163 CG GLU A 74 13.194 -6.883 -7.894 1.00 0.00 C ATOM 1164 CD GLU A 74 12.703 -7.414 -9.242 1.00 0.00 C ATOM 1165 OE1 GLU A 74 12.476 -8.624 -9.385 1.00 0.00 O ATOM 1166 OE2 GLU A 74 12.558 -6.520 -10.160 1.00 0.00 O ATOM 0 H GLU A 74 13.549 -6.041 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 74 16.242 -7.012 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.151 -7.584 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.474 -8.422 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.486 -7.156 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.234 -5.794 -7.921 1.00 0.00 H new ATOM 1174 N ASN A 75 15.826 -4.142 -6.556 1.00 0.00 N ATOM 1175 CA ASN A 75 16.196 -2.848 -7.103 1.00 0.00 C ATOM 1176 C ASN A 75 17.036 -2.086 -6.076 1.00 0.00 C ATOM 1177 O ASN A 75 18.198 -1.771 -6.331 1.00 0.00 O ATOM 1178 CB ASN A 75 14.957 -2.008 -7.417 1.00 0.00 C ATOM 1179 CG ASN A 75 14.613 -2.073 -8.906 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.448 -1.867 -9.772 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.341 -2.369 -9.155 1.00 0.00 N ATOM 0 H ASN A 75 15.651 -4.146 -5.551 1.00 0.00 H new ATOM 0 HA ASN A 75 16.758 -3.019 -8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.112 -2.366 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.132 -0.972 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.012 -2.435 -10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.694 -2.530 -8.383 1.00 0.00 H new ATOM 1188 N MET A 76 16.417 -1.813 -4.938 1.00 0.00 N ATOM 1189 CA MET A 76 17.093 -1.094 -3.871 1.00 0.00 C ATOM 1190 C MET A 76 17.784 -2.063 -2.909 1.00 0.00 C ATOM 1191 O MET A 76 17.677 -3.278 -3.063 1.00 0.00 O ATOM 1192 CB MET A 76 16.077 -0.248 -3.102 1.00 0.00 C ATOM 1193 CG MET A 76 15.285 0.655 -4.050 1.00 0.00 C ATOM 1194 SD MET A 76 16.333 1.963 -4.665 1.00 0.00 S ATOM 1195 CE MET A 76 15.862 1.954 -6.386 1.00 0.00 C ATOM 0 H MET A 76 15.454 -2.077 -4.731 1.00 0.00 H new ATOM 0 HA MET A 76 17.852 -0.450 -4.316 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.393 -0.900 -2.559 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.593 0.361 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.894 0.069 -4.882 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.427 1.080 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.273 2.834 -6.880 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.250 1.055 -6.865 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.775 1.968 -6.466 1.00 0.00 H new ATOM 1205 N THR A 77 18.477 -1.488 -1.938 1.00 0.00 N ATOM 1206 CA THR A 77 19.186 -2.285 -0.951 1.00 0.00 C ATOM 1207 C THR A 77 18.253 -2.657 0.203 1.00 0.00 C ATOM 1208 O THR A 77 17.097 -2.236 0.233 1.00 0.00 O ATOM 1209 CB THR A 77 20.420 -1.499 -0.505 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.876 -2.195 0.651 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.069 -0.103 0.014 1.00 0.00 C ATOM 0 H THR A 77 18.563 -0.479 -1.813 1.00 0.00 H new ATOM 0 HA THR A 77 19.522 -3.231 -1.375 1.00 0.00 H new ATOM 0 HB THR A 77 21.116 -1.411 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.676 -1.753 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.980 0.412 0.317 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.576 0.465 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.400 -0.191 0.870 1.00 0.00 H new ATOM 1219 N LEU A 78 18.789 -3.442 1.126 1.00 0.00 N ATOM 1220 CA LEU A 78 18.019 -3.876 2.279 1.00 0.00 C ATOM 1221 C LEU A 78 17.648 -2.657 3.127 1.00 0.00 C ATOM 1222 O LEU A 78 16.541 -2.579 3.657 1.00 0.00 O ATOM 1223 CB LEU A 78 18.776 -4.956 3.054 1.00 0.00 C ATOM 1224 CG LEU A 78 18.110 -6.333 3.110 1.00 0.00 C ATOM 1225 CD1 LEU A 78 18.629 -7.238 1.991 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.283 -6.970 4.490 1.00 0.00 C ATOM 0 H LEU A 78 19.748 -3.789 1.099 1.00 0.00 H new ATOM 0 HA LEU A 78 17.086 -4.340 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.764 -5.070 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.926 -4.605 4.075 1.00 0.00 H new ATOM 0 HG LEU A 78 17.040 -6.202 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.140 -8.210 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.411 -6.783 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.706 -7.366 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.801 -7.947 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.345 -7.087 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.827 -6.330 5.246 1.00 0.00 H new ATOM 1238 N THR A 79 18.596 -1.736 3.228 1.00 0.00 N ATOM 1239 CA THR A 79 18.383 -0.525 4.002 1.00 0.00 C ATOM 1240 C THR A 79 17.145 0.220 3.497 1.00 0.00 C ATOM 1241 O THR A 79 16.216 0.475 4.261 1.00 0.00 O ATOM 1242 CB THR A 79 19.663 0.309 3.936 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.383 -0.066 5.107 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.398 1.804 4.125 1.00 0.00 C ATOM 0 H THR A 79 19.513 -1.804 2.787 1.00 0.00 H new ATOM 0 HA THR A 79 18.181 -0.754 5.048 1.00 0.00 H new ATOM 0 HB THR A 79 20.153 0.145 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.229 0.427 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.340 2.350 4.069 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.727 2.156 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.938 1.972 5.099 1.00 0.00 H new ATOM 1252 N GLU A 80 17.174 0.547 2.214 1.00 0.00 N ATOM 1253 CA GLU A 80 16.066 1.257 1.598 1.00 0.00 C ATOM 1254 C GLU A 80 14.753 0.513 1.848 1.00 0.00 C ATOM 1255 O GLU A 80 13.744 1.125 2.194 1.00 0.00 O ATOM 1256 CB GLU A 80 16.307 1.456 0.100 1.00 0.00 C ATOM 1257 CG GLU A 80 16.531 2.933 -0.228 1.00 0.00 C ATOM 1258 CD GLU A 80 16.273 3.211 -1.711 1.00 0.00 C ATOM 1259 OE1 GLU A 80 17.178 3.670 -2.422 1.00 0.00 O ATOM 1260 OE2 GLU A 80 15.081 2.931 -2.118 1.00 0.00 O ATOM 0 H GLU A 80 17.947 0.334 1.584 1.00 0.00 H new ATOM 0 HA GLU A 80 15.994 2.244 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.174 0.875 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.452 1.081 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.870 3.549 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.553 3.215 0.026 1.00 0.00 H new ATOM 1268 N LEU A 81 14.809 -0.798 1.663 1.00 0.00 N ATOM 1269 CA LEU A 81 13.636 -1.633 1.865 1.00 0.00 C ATOM 1270 C LEU A 81 13.094 -1.410 3.278 1.00 0.00 C ATOM 1271 O LEU A 81 11.882 -1.355 3.480 1.00 0.00 O ATOM 1272 CB LEU A 81 13.960 -3.095 1.554 1.00 0.00 C ATOM 1273 CG LEU A 81 13.976 -3.479 0.073 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.785 -4.374 -0.274 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.035 -2.234 -0.815 1.00 0.00 C ATOM 0 H LEU A 81 15.648 -1.303 1.376 1.00 0.00 H new ATOM 0 HA LEU A 81 12.844 -1.352 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.936 -3.329 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.231 -3.724 2.064 1.00 0.00 H new ATOM 0 HG LEU A 81 14.880 -4.056 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.820 -4.632 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.828 -5.285 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.857 -3.844 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.045 -2.535 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.162 -1.610 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.940 -1.670 -0.591 1.00 0.00 H new ATOM 1287 N LYS A 82 14.018 -1.288 4.220 1.00 0.00 N ATOM 1288 CA LYS A 82 13.648 -1.073 5.608 1.00 0.00 C ATOM 1289 C LYS A 82 13.060 0.331 5.763 1.00 0.00 C ATOM 1290 O LYS A 82 12.184 0.553 6.597 1.00 0.00 O ATOM 1291 CB LYS A 82 14.839 -1.346 6.529 1.00 0.00 C ATOM 1292 CG LYS A 82 14.403 -2.122 7.774 1.00 0.00 C ATOM 1293 CD LYS A 82 14.870 -3.577 7.704 1.00 0.00 C ATOM 1294 CE LYS A 82 14.182 -4.426 8.775 1.00 0.00 C ATOM 1295 NZ LYS A 82 14.517 -5.856 8.598 1.00 0.00 N ATOM 0 H LYS A 82 15.022 -1.334 4.049 1.00 0.00 H new ATOM 0 HA LYS A 82 12.874 -1.779 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.598 -1.913 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.297 -0.403 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.813 -1.647 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.317 -2.089 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.653 -3.985 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.951 -3.623 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.493 -4.094 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.102 -4.290 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.042 -6.417 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.199 -6.174 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.546 -5.984 8.676 1.00 0.00 H new ATOM 1308 N LYS A 83 13.566 1.243 4.946 1.00 0.00 N ATOM 1309 CA LYS A 83 13.103 2.620 4.981 1.00 0.00 C ATOM 1310 C LYS A 83 11.639 2.672 4.538 1.00 0.00 C ATOM 1311 O LYS A 83 10.793 3.222 5.241 1.00 0.00 O ATOM 1312 CB LYS A 83 14.027 3.518 4.157 1.00 0.00 C ATOM 1313 CG LYS A 83 14.453 4.749 4.959 1.00 0.00 C ATOM 1314 CD LYS A 83 13.567 5.952 4.629 1.00 0.00 C ATOM 1315 CE LYS A 83 13.647 7.011 5.731 1.00 0.00 C ATOM 1316 NZ LYS A 83 13.067 8.290 5.264 1.00 0.00 N ATOM 0 H LYS A 83 14.293 1.055 4.255 1.00 0.00 H new ATOM 0 HA LYS A 83 13.143 3.010 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.909 2.955 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.518 3.832 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.394 4.531 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.494 4.988 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.877 6.387 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.534 5.625 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.113 6.664 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.686 7.162 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.129 8.997 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.594 8.627 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.070 8.145 5.007 1.00 0.00 H new ATOM 1329 N VAL A 84 11.386 2.092 3.374 1.00 0.00 N ATOM 1330 CA VAL A 84 10.039 2.066 2.828 1.00 0.00 C ATOM 1331 C VAL A 84 9.148 1.202 3.723 1.00 0.00 C ATOM 1332 O VAL A 84 7.999 1.554 3.985 1.00 0.00 O ATOM 1333 CB VAL A 84 10.072 1.586 1.376 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.142 2.332 0.576 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.288 0.073 1.303 1.00 0.00 C ATOM 0 H VAL A 84 12.090 1.636 2.794 1.00 0.00 H new ATOM 0 HA VAL A 84 9.613 3.069 2.815 1.00 0.00 H new ATOM 0 HB VAL A 84 9.103 1.808 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.144 1.972 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.925 3.400 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.120 2.156 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.307 -0.242 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.236 -0.182 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.475 -0.436 1.821 1.00 0.00 H new ATOM 1345 N ILE A 85 9.712 0.089 4.168 1.00 0.00 N ATOM 1346 CA ILE A 85 8.983 -0.828 5.028 1.00 0.00 C ATOM 1347 C ILE A 85 8.587 -0.105 6.317 1.00 0.00 C ATOM 1348 O ILE A 85 7.492 -0.312 6.838 1.00 0.00 O ATOM 1349 CB ILE A 85 9.794 -2.103 5.262 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.681 -3.052 4.067 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.387 -2.780 6.572 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.481 -3.989 4.223 1.00 0.00 C ATOM 0 H ILE A 85 10.666 -0.199 3.949 1.00 0.00 H new ATOM 0 HA ILE A 85 8.060 -1.150 4.546 1.00 0.00 H new ATOM 0 HB ILE A 85 10.844 -1.827 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.579 -2.475 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.595 -3.638 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.979 -3.684 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.562 -2.098 7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.330 -3.041 6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.423 -4.653 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.598 -4.582 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.566 -3.400 4.290 1.00 0.00 H new ATOM 1364 N ALA A 86 9.500 0.728 6.795 1.00 0.00 N ATOM 1365 CA ALA A 86 9.261 1.482 8.013 1.00 0.00 C ATOM 1366 C ALA A 86 8.326 2.654 7.707 1.00 0.00 C ATOM 1367 O ALA A 86 7.644 3.158 8.598 1.00 0.00 O ATOM 1368 CB ALA A 86 10.597 1.940 8.601 1.00 0.00 C ATOM 0 H ALA A 86 10.407 0.897 6.360 1.00 0.00 H new ATOM 0 HA ALA A 86 8.773 0.857 8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.417 2.506 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.212 1.069 8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.115 2.572 7.879 1.00 0.00 H new ATOM 1374 N ASP A 87 8.326 3.055 6.444 1.00 0.00 N ATOM 1375 CA ASP A 87 7.487 4.158 6.009 1.00 0.00 C ATOM 1376 C ASP A 87 6.074 3.641 5.732 1.00 0.00 C ATOM 1377 O ASP A 87 5.103 4.388 5.840 1.00 0.00 O ATOM 1378 CB ASP A 87 8.023 4.783 4.719 1.00 0.00 C ATOM 1379 CG ASP A 87 8.270 6.291 4.786 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.326 7.091 4.866 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.511 6.642 4.750 1.00 0.00 O ATOM 0 H ASP A 87 8.894 2.635 5.708 1.00 0.00 H new ATOM 0 HA ASP A 87 7.482 4.909 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.957 4.288 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.316 4.581 3.914 1.00 0.00 H new ATOM 1387 N ILE A 88 6.004 2.365 5.381 1.00 0.00 N ATOM 1388 CA ILE A 88 4.726 1.739 5.087 1.00 0.00 C ATOM 1389 C ILE A 88 4.125 1.187 6.382 1.00 0.00 C ATOM 1390 O ILE A 88 3.012 1.551 6.758 1.00 0.00 O ATOM 1391 CB ILE A 88 4.885 0.688 3.986 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.611 0.579 3.145 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.302 -0.662 4.573 1.00 0.00 C ATOM 1394 CD1 ILE A 88 3.940 0.208 1.698 1.00 0.00 C ATOM 0 H ILE A 88 6.811 1.748 5.294 1.00 0.00 H new ATOM 0 HA ILE A 88 4.022 2.473 4.695 1.00 0.00 H new ATOM 0 HB ILE A 88 5.685 1.010 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.950 -0.173 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.073 1.527 3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.408 -1.391 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.254 -0.554 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.542 -1.004 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.017 0.137 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.582 0.974 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.456 -0.752 1.677 1.00 0.00 H new ATOM 1406 N TYR A 89 4.887 0.317 7.028 1.00 0.00 N ATOM 1407 CA TYR A 89 4.443 -0.288 8.272 1.00 0.00 C ATOM 1408 C TYR A 89 5.355 -1.450 8.672 1.00 0.00 C ATOM 1409 O TYR A 89 5.880 -2.156 7.813 1.00 0.00 O ATOM 1410 CB TYR A 89 3.038 -0.828 8.000 1.00 0.00 C ATOM 1411 CG TYR A 89 2.948 -1.741 6.776 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.527 -2.994 6.805 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.288 -1.313 5.642 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.442 -3.853 5.653 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.204 -2.172 4.490 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.785 -3.400 4.552 1.00 0.00 C ATOM 1417 OH TYR A 89 2.705 -4.212 3.464 1.00 0.00 O ATOM 0 H TYR A 89 5.809 0.017 6.713 1.00 0.00 H new ATOM 0 HA TYR A 89 4.461 0.441 9.082 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.695 -1.378 8.877 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.357 0.012 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.044 -3.330 7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.834 -0.333 5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.890 -4.836 5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.691 -1.848 3.596 1.00 0.00 H new ATOM 0 HH TYR A 89 2.825 -3.680 2.650 1.00 0.00 H new ATOM 1427 N PRO A 90 5.519 -1.616 10.012 1.00 0.00 N ATOM 1428 CA PRO A 90 6.358 -2.680 10.536 1.00 0.00 C ATOM 1429 C PRO A 90 5.661 -4.037 10.418 1.00 0.00 C ATOM 1430 O PRO A 90 4.625 -4.152 9.765 1.00 0.00 O ATOM 1431 CB PRO A 90 6.644 -2.283 11.975 1.00 0.00 C ATOM 1432 CG PRO A 90 5.584 -1.258 12.343 1.00 0.00 C ATOM 1433 CD PRO A 90 4.914 -0.799 11.059 1.00 0.00 C ATOM 0 HA PRO A 90 7.286 -2.797 9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.596 -3.149 12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.645 -1.862 12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.851 -1.694 13.021 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.035 -0.412 12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.835 -0.946 11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.085 0.263 10.881 1.00 0.00 H new ATOM 1441 N GLY A 91 6.257 -5.031 11.061 1.00 0.00 N ATOM 1442 CA GLY A 91 5.705 -6.375 11.036 1.00 0.00 C ATOM 1443 C GLY A 91 5.790 -6.977 9.632 1.00 0.00 C ATOM 1444 O GLY A 91 5.117 -6.514 8.713 1.00 0.00 O ATOM 0 H GLY A 91 7.116 -4.932 11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.246 -7.007 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.665 -6.351 11.363 1.00 0.00 H new ATOM 1448 N GLN A 92 6.624 -8.000 9.511 1.00 0.00 N ATOM 1449 CA GLN A 92 6.806 -8.670 8.235 1.00 0.00 C ATOM 1450 C GLN A 92 6.316 -10.117 8.320 1.00 0.00 C ATOM 1451 O GLN A 92 7.112 -11.035 8.507 1.00 0.00 O ATOM 1452 CB GLN A 92 8.268 -8.612 7.788 1.00 0.00 C ATOM 1453 CG GLN A 92 8.523 -9.566 6.620 1.00 0.00 C ATOM 1454 CD GLN A 92 9.716 -10.480 6.909 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.765 -10.387 6.292 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.498 -11.364 7.878 1.00 0.00 N ATOM 0 H GLN A 92 7.181 -8.381 10.276 1.00 0.00 H new ATOM 0 HA GLN A 92 6.210 -8.149 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.521 -7.594 7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.918 -8.872 8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.634 -10.169 6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.711 -8.993 5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.596 -11.387 8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.233 -12.019 8.146 1.00 0.00 H new ATOM 1465 N THR A 93 5.008 -10.274 8.180 1.00 0.00 N ATOM 1466 CA THR A 93 4.402 -11.593 8.239 1.00 0.00 C ATOM 1467 C THR A 93 3.117 -11.628 7.410 1.00 0.00 C ATOM 1468 O THR A 93 2.462 -10.602 7.230 1.00 0.00 O ATOM 1469 CB THR A 93 4.185 -11.949 9.711 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.078 -11.142 10.103 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.331 -11.469 10.604 1.00 0.00 C ATOM 0 H THR A 93 4.351 -9.509 8.026 1.00 0.00 H new ATOM 0 HA THR A 93 5.055 -12.347 7.800 1.00 0.00 H new ATOM 0 HB THR A 93 4.074 -13.029 9.811 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.868 -11.311 11.045 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.127 -11.747 11.638 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.263 -11.932 10.280 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.420 -10.385 10.530 1.00 0.00 H new ATOM 1479 N GLN A 94 2.794 -12.818 6.926 1.00 0.00 N ATOM 1480 CA GLN A 94 1.599 -13.000 6.120 1.00 0.00 C ATOM 1481 C GLN A 94 0.481 -12.080 6.614 1.00 0.00 C ATOM 1482 O GLN A 94 0.351 -11.844 7.814 1.00 0.00 O ATOM 1483 CB GLN A 94 1.149 -14.462 6.128 1.00 0.00 C ATOM 1484 CG GLN A 94 1.938 -15.284 5.105 1.00 0.00 C ATOM 1485 CD GLN A 94 2.292 -16.663 5.666 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.651 -16.818 6.821 1.00 0.00 O ATOM 1487 NE2 GLN A 94 2.171 -17.652 4.785 1.00 0.00 N ATOM 0 H GLN A 94 3.340 -13.666 7.077 1.00 0.00 H new ATOM 0 HA GLN A 94 1.835 -12.733 5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.288 -14.884 7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.084 -14.520 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.351 -15.398 4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.850 -14.753 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.865 -17.452 3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.384 -18.610 5.062 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.298 -11.585 5.663 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.401 -10.697 5.987 1.00 0.00 C ATOM 1498 C PHE A 95 -2.405 -10.626 4.834 1.00 0.00 C ATOM 1499 O PHE A 95 -2.231 -11.290 3.813 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.804 -9.307 6.213 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.608 -8.946 7.687 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.558 -9.281 8.601 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.516 -8.290 8.084 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.376 -8.947 9.969 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.697 -7.956 9.452 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.253 -8.291 10.366 1.00 0.00 C ATOM 0 H PHE A 95 -0.187 -11.782 4.668 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.926 -11.063 6.869 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.158 -9.249 5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.454 -8.564 5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.451 -9.801 8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.270 -8.023 7.359 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.130 -9.214 10.695 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.589 -7.436 9.767 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.115 -8.036 11.406 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.433 -9.814 5.035 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.464 -9.648 4.025 1.00 0.00 C ATOM 1518 C TYR A 96 -4.064 -8.580 3.005 1.00 0.00 C ATOM 1519 O TYR A 96 -3.817 -7.431 3.367 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.714 -9.180 4.772 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.874 -10.177 4.730 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.721 -11.436 5.274 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -8.073 -9.816 4.150 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.813 -12.375 5.234 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.164 -10.755 4.110 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.980 -11.988 4.654 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.011 -12.874 4.617 1.00 0.00 O ATOM 0 H TYR A 96 -3.574 -9.264 5.882 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.625 -10.580 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.452 -8.987 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.046 -8.233 4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.783 -11.717 5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.193 -8.830 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.707 -13.364 5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.107 -10.486 3.658 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.782 -12.461 4.174 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.014 -8.998 1.748 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.649 -8.092 0.672 1.00 0.00 C ATOM 1539 C VAL A 97 -4.914 -7.642 -0.061 1.00 0.00 C ATOM 1540 O VAL A 97 -5.801 -8.452 -0.330 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.628 -8.760 -0.251 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.341 -7.887 -1.474 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.338 -9.087 0.504 1.00 0.00 C ATOM 0 H VAL A 97 -4.220 -9.952 1.451 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.170 -7.198 1.071 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.058 -9.698 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.612 -8.385 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.264 -7.727 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.942 -6.926 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.629 -9.561 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.904 -8.168 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.560 -9.765 1.328 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.958 -6.353 -0.365 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.099 -5.787 -1.062 1.00 0.00 C ATOM 1555 C ILE A 98 -5.609 -5.000 -2.279 1.00 0.00 C ATOM 1556 O ILE A 98 -4.822 -4.065 -2.142 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.958 -4.962 -0.102 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.970 -5.584 1.296 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.372 -4.771 -0.656 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.488 -7.023 1.251 1.00 0.00 C ATOM 0 H ILE A 98 -4.221 -5.685 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.749 -6.579 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.512 -3.972 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.963 -5.569 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.598 -4.988 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.961 -4.181 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.321 -4.251 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.842 -5.744 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.486 -7.442 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.504 -7.032 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.843 -7.622 0.608 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.095 -5.408 -3.443 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.716 -4.752 -4.683 1.00 0.00 C ATOM 1574 C GLU A 99 -6.755 -3.696 -5.064 1.00 0.00 C ATOM 1575 O GLU A 99 -7.916 -3.793 -4.671 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.532 -5.773 -5.808 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.442 -5.323 -6.783 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.103 -6.436 -7.777 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.608 -7.561 -7.645 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -3.283 -6.099 -8.714 1.00 0.00 O ATOM 0 H GLU A 99 -6.747 -6.184 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.759 -4.252 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.269 -6.742 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.473 -5.903 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.775 -4.437 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.547 -5.040 -6.229 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.300 -2.713 -5.827 1.00 0.00 N ATOM 1589 CA PHE A 100 -7.176 -1.640 -6.266 1.00 0.00 C ATOM 1590 C PHE A 100 -6.793 -1.158 -7.667 1.00 0.00 C ATOM 1591 O PHE A 100 -5.679 -1.400 -8.127 1.00 0.00 O ATOM 1592 CB PHE A 100 -7.000 -0.486 -5.277 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.560 0.017 -5.157 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.958 0.615 -6.219 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.882 -0.136 -3.988 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.621 1.081 -6.107 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.546 0.330 -3.876 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.943 0.929 -4.938 1.00 0.00 C ATOM 0 H PHE A 100 -5.336 -2.637 -6.152 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.207 -1.992 -6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.639 0.342 -5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.345 -0.808 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.496 0.736 -7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.360 -0.612 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.143 1.556 -6.951 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.008 0.209 -2.947 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.926 1.284 -4.853 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.739 -0.486 -8.306 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.515 0.032 -9.645 1.00 0.00 C ATOM 1610 C LYS A 101 -7.894 1.513 -9.684 1.00 0.00 C ATOM 1611 O LYS A 101 -8.805 1.944 -8.978 1.00 0.00 O ATOM 1612 CB LYS A 101 -8.254 -0.820 -10.679 1.00 0.00 C ATOM 1613 CG LYS A 101 -7.464 -2.087 -11.011 1.00 0.00 C ATOM 1614 CD LYS A 101 -7.672 -2.496 -12.471 1.00 0.00 C ATOM 1615 CE LYS A 101 -6.485 -3.313 -12.985 1.00 0.00 C ATOM 1616 NZ LYS A 101 -6.385 -3.210 -14.458 1.00 0.00 N ATOM 0 H LYS A 101 -8.663 -0.288 -7.921 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.459 -0.034 -9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.238 -1.091 -10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.414 -0.239 -11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.403 -1.918 -10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.778 -2.898 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.587 -3.081 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.800 -1.606 -13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.563 -2.955 -12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.601 -4.357 -12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.574 -3.770 -14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.258 -3.573 -14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.252 -2.215 -14.728 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.177 2.253 -10.517 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.427 3.678 -10.658 1.00 0.00 C ATOM 1631 C CYS A 102 -8.421 3.880 -11.802 1.00 0.00 C ATOM 1632 O CYS A 102 -8.184 3.430 -12.922 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.131 4.460 -10.882 1.00 0.00 C ATOM 1634 SG CYS A 102 -6.514 6.150 -11.469 1.00 0.00 S ATOM 0 H CYS A 102 -6.423 1.893 -11.101 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.854 4.068 -9.734 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.561 4.509 -9.954 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.507 3.945 -11.613 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.407 6.806 -11.654 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.514 4.557 -11.482 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.546 4.825 -12.469 1.00 0.00 C ATOM 1642 C LEU A 103 -10.250 6.157 -13.161 1.00 0.00 C ATOM 1643 O LEU A 103 -9.947 7.150 -12.500 1.00 0.00 O ATOM 1644 CB LEU A 103 -11.933 4.760 -11.826 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.198 3.551 -10.926 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -13.371 3.820 -9.980 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.411 2.284 -11.757 1.00 0.00 C ATOM 0 H LEU A 103 -9.707 4.928 -10.552 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.543 4.056 -13.242 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.082 5.666 -11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.680 4.768 -12.619 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.316 3.385 -10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.539 2.946 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.142 4.680 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.269 4.026 -10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.597 1.440 -11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.267 2.422 -12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.521 2.086 -12.354 1.00 0.00 H new