USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 906 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 90 THR OG1 : rot 115:sc= -1.04 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc=0.000783 USER MOD Set 1.3: A 96 GLN : amide:sc= -5.47! C(o=-8.2!,f=-8.3!) USER MOD Set 1.4: A 116 GLN : amide:sc= -1.7! C(o=-8.2!,f=-9.7!) USER MOD Single : A 13 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.66) USER MOD Single : A 18 MET CE :methyl -151:sc= -0.277 (180deg=-0.751) USER MOD Single : A 19 HIS :FLIP no HE2:sc= -4.48! C(o=-7.2!,f=-4.5!) USER MOD Single : A 20 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 27 MET CE :methyl -116:sc= -0.159 (180deg=-3.35!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -25:sc= -2.48 USER MOD Single : A 37 SER OG : rot -27:sc= 0.451 USER MOD Single : A 39 MET CE :methyl -111:sc= -4.4! (180deg=-5.89!) USER MOD Single : A 46 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1.4) USER MOD Single : A 56 GLN : amide:sc= 0.464 K(o=0.46,f=-3.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -12:sc= -0.0745! USER MOD Single : A 73 HIS : no HE2:sc= -2.25 K(o=-2.2,f=-4.3!) USER MOD Single : A 77 LYS NZ :NH3+ -129:sc= -0.822 (180deg=-2.86!) USER MOD Single : A 80 ASN : amide:sc= -0.0796 X(o=-0.08,f=-0.008) USER MOD Single : A 83 MET CE :methyl -133:sc= -0.815 (180deg=-1.69!) USER MOD Single : A 85 ASN : amide:sc= 0.125 K(o=0.13,f=-2.6!) USER MOD Single : A 86 SER OG : rot -160:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -147:sc= -0.358 (180deg=-1.51) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -144:sc= -0.107 (180deg=-2.78!) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -2.52 F(o=-3.2!,f=-2.5) USER MOD Single : A 104 THR OG1 : rot -166:sc= 0.481 USER MOD Single : A 105 LYS NZ :NH3+ 170:sc= 0.728 (180deg=0.663) USER MOD Single : A 109 CYS SG : rot 101:sc= -0.226 USER MOD Single : A 110 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.7!) USER MOD Single : A 113 CYS SG : rot -29:sc= -1.13! USER MOD Single : A 117 GLN : amide:sc= -0.648 K(o=-0.65,f=-3.9!) USER MOD Single : A 119 TYR OH : rot 65:sc= 0.856 USER MOD Single : A 124 ASN :FLIP amide:sc= -2.94! C(o=-5!,f=-2.9!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 14.980 -9.832 1.141 1.00 0.00 N ATOM 103 CA ILE A 11 15.328 -8.675 0.326 1.00 0.00 C ATOM 104 C ILE A 11 15.597 -9.081 -1.119 1.00 0.00 C ATOM 105 O ILE A 11 14.824 -8.756 -2.019 1.00 0.00 O ATOM 106 CB ILE A 11 16.566 -7.947 0.882 1.00 0.00 C ATOM 107 CG1 ILE A 11 16.305 -7.470 2.313 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.938 -6.774 -0.013 1.00 0.00 C ATOM 109 CD1 ILE A 11 15.306 -6.337 2.399 1.00 0.00 C ATOM 0 HA ILE A 11 14.474 -7.998 0.358 1.00 0.00 H new ATOM 0 HB ILE A 11 17.402 -8.646 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.943 -8.309 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.247 -7.148 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.815 -6.270 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.161 -7.138 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.105 -6.073 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.170 -6.050 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.676 -5.482 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.352 -6.661 1.984 1.00 0.00 H new ATOM 121 N GLU A 12 16.698 -9.794 -1.332 1.00 0.00 N ATOM 122 CA GLU A 12 17.069 -10.245 -2.668 1.00 0.00 C ATOM 123 C GLU A 12 15.842 -10.720 -3.442 1.00 0.00 C ATOM 124 O GLU A 12 15.531 -10.198 -4.512 1.00 0.00 O ATOM 125 CB GLU A 12 18.099 -11.373 -2.583 1.00 0.00 C ATOM 126 CG GLU A 12 19.460 -10.918 -2.083 1.00 0.00 C ATOM 127 CD GLU A 12 20.242 -10.155 -3.134 1.00 0.00 C ATOM 128 OE1 GLU A 12 20.814 -10.805 -4.034 1.00 0.00 O ATOM 129 OE2 GLU A 12 20.283 -8.910 -3.057 1.00 0.00 O ATOM 0 H GLU A 12 17.348 -10.072 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 12 17.509 -9.401 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.719 -12.151 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.215 -11.823 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.328 -10.287 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.036 -11.788 -1.767 1.00 0.00 H new ATOM 136 N GLN A 13 15.150 -11.712 -2.892 1.00 0.00 N ATOM 137 CA GLN A 13 13.958 -12.258 -3.530 1.00 0.00 C ATOM 138 C GLN A 13 12.962 -11.151 -3.859 1.00 0.00 C ATOM 139 O GLN A 13 12.245 -11.223 -4.858 1.00 0.00 O ATOM 140 CB GLN A 13 13.300 -13.300 -2.624 1.00 0.00 C ATOM 141 CG GLN A 13 14.176 -14.514 -2.358 1.00 0.00 C ATOM 142 CD GLN A 13 14.395 -15.359 -3.597 1.00 0.00 C ATOM 143 OE1 GLN A 13 15.274 -15.072 -4.410 1.00 0.00 O ATOM 144 NE2 GLN A 13 13.595 -16.408 -3.748 1.00 0.00 N ATOM 0 H GLN A 13 15.394 -12.154 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 13 14.262 -12.737 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.043 -12.833 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.366 -13.629 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.141 -14.184 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.716 -15.126 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.880 -16.609 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.696 -17.013 -4.563 1.00 0.00 H new ATOM 153 N LEU A 14 12.921 -10.128 -3.013 1.00 0.00 N ATOM 154 CA LEU A 14 12.011 -9.005 -3.213 1.00 0.00 C ATOM 155 C LEU A 14 12.437 -8.167 -4.415 1.00 0.00 C ATOM 156 O LEU A 14 11.632 -7.881 -5.302 1.00 0.00 O ATOM 157 CB LEU A 14 11.964 -8.131 -1.958 1.00 0.00 C ATOM 158 CG LEU A 14 10.630 -7.444 -1.669 1.00 0.00 C ATOM 159 CD1 LEU A 14 10.478 -6.192 -2.520 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.472 -8.401 -1.914 1.00 0.00 C ATOM 0 H LEU A 14 13.507 -10.053 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 14 11.016 -9.405 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.225 -8.749 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.734 -7.364 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 14 10.616 -7.149 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.522 -5.717 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.288 -5.499 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.514 -6.463 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.530 -7.894 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.483 -8.727 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.572 -9.268 -1.261 1.00 0.00 H new ATOM 172 N LEU A 15 13.707 -7.779 -4.438 1.00 0.00 N ATOM 173 CA LEU A 15 14.241 -6.975 -5.532 1.00 0.00 C ATOM 174 C LEU A 15 14.036 -7.675 -6.872 1.00 0.00 C ATOM 175 O LEU A 15 13.383 -7.140 -7.768 1.00 0.00 O ATOM 176 CB LEU A 15 15.730 -6.701 -5.310 1.00 0.00 C ATOM 177 CG LEU A 15 16.068 -5.649 -4.253 1.00 0.00 C ATOM 178 CD1 LEU A 15 16.107 -4.261 -4.874 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.062 -5.697 -3.112 1.00 0.00 C ATOM 0 H LEU A 15 14.386 -8.008 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 15 13.702 -6.028 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.213 -7.637 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.167 -6.388 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 15 17.056 -5.872 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.349 -3.526 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.866 -4.233 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.134 -4.028 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.318 -4.942 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.062 -5.500 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.084 -6.683 -2.649 1.00 0.00 H new ATOM 191 N GLU A 16 14.596 -8.874 -7.000 1.00 0.00 N ATOM 192 CA GLU A 16 14.473 -9.646 -8.230 1.00 0.00 C ATOM 193 C GLU A 16 13.028 -9.660 -8.721 1.00 0.00 C ATOM 194 O GLU A 16 12.770 -9.710 -9.924 1.00 0.00 O ATOM 195 CB GLU A 16 14.962 -11.079 -8.010 1.00 0.00 C ATOM 196 CG GLU A 16 13.913 -11.994 -7.402 1.00 0.00 C ATOM 197 CD GLU A 16 14.316 -13.455 -7.445 1.00 0.00 C ATOM 198 OE1 GLU A 16 15.365 -13.798 -6.860 1.00 0.00 O ATOM 199 OE2 GLU A 16 13.584 -14.255 -8.064 1.00 0.00 O ATOM 0 H GLU A 16 15.139 -9.331 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 16 15.093 -9.171 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 16 15.285 -11.494 -8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.836 -11.060 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.736 -11.700 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.971 -11.865 -7.935 1.00 0.00 H new ATOM 206 N PHE A 17 12.090 -9.617 -7.781 1.00 0.00 N ATOM 207 CA PHE A 17 10.670 -9.626 -8.117 1.00 0.00 C ATOM 208 C PHE A 17 10.186 -8.223 -8.471 1.00 0.00 C ATOM 209 O PHE A 17 9.363 -8.047 -9.369 1.00 0.00 O ATOM 210 CB PHE A 17 9.852 -10.181 -6.949 1.00 0.00 C ATOM 211 CG PHE A 17 8.463 -9.616 -6.869 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.467 -10.066 -7.721 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.153 -8.634 -5.942 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.188 -9.548 -7.649 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.875 -8.113 -5.865 1.00 0.00 C ATOM 216 CZ PHE A 17 5.891 -8.570 -6.721 1.00 0.00 C ATOM 0 H PHE A 17 12.287 -9.576 -6.781 1.00 0.00 H new ATOM 0 HA PHE A 17 10.532 -10.269 -8.986 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.790 -11.265 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.376 -9.971 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.693 -10.830 -8.450 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.919 -8.272 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.421 -9.908 -8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.646 -7.349 -5.136 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.892 -8.163 -6.664 1.00 0.00 H new ATOM 226 N MET A 18 10.703 -7.228 -7.758 1.00 0.00 N ATOM 227 CA MET A 18 10.324 -5.840 -7.997 1.00 0.00 C ATOM 228 C MET A 18 10.406 -5.502 -9.482 1.00 0.00 C ATOM 229 O MET A 18 9.793 -4.539 -9.944 1.00 0.00 O ATOM 230 CB MET A 18 11.226 -4.898 -7.197 1.00 0.00 C ATOM 231 CG MET A 18 10.976 -4.944 -5.698 1.00 0.00 C ATOM 232 SD MET A 18 9.745 -3.739 -5.163 1.00 0.00 S ATOM 233 CE MET A 18 10.782 -2.310 -4.856 1.00 0.00 C ATOM 0 H MET A 18 11.385 -7.357 -7.011 1.00 0.00 H new ATOM 0 HA MET A 18 9.293 -5.709 -7.669 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.268 -5.154 -7.391 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.077 -3.878 -7.551 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.645 -5.944 -5.419 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.912 -4.760 -5.171 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.330 -1.693 -4.080 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.768 -2.640 -4.529 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.879 -1.727 -5.772 1.00 0.00 H new ATOM 243 N HIS A 19 11.167 -6.299 -10.225 1.00 0.00 N ATOM 244 CA HIS A 19 11.328 -6.084 -11.659 1.00 0.00 C ATOM 245 C HIS A 19 10.035 -6.401 -12.404 1.00 0.00 C ATOM 246 O HIS A 19 9.702 -5.747 -13.392 1.00 0.00 O ATOM 247 CB HIS A 19 12.468 -6.947 -12.200 1.00 0.00 C ATOM 248 CG HIS A 19 12.021 -8.291 -12.688 1.00 0.00 C ATOM 249 ND1 HIS A 19 11.324 -9.271 -12.067 1.00 0.00 N flip ATOM 250 CD2 HIS A 19 12.289 -8.758 -13.958 1.00 0.00 C flip ATOM 251 CE1 HIS A 19 11.182 -10.301 -12.965 1.00 0.00 C flip ATOM 252 NE2 HIS A 19 11.773 -9.966 -14.098 1.00 0.00 N flip ATOM 0 H HIS A 19 11.682 -7.099 -9.858 1.00 0.00 H new ATOM 0 HA HIS A 19 11.570 -5.034 -11.820 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.958 -6.417 -13.017 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.213 -7.083 -11.416 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.970 -9.249 -11.111 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.835 -8.220 -14.719 1.00 0.00 H new ATOM 0 HE1 HIS A 19 10.670 -11.233 -12.775 1.00 0.00 H new ATOM 261 N GLN A 20 9.313 -7.408 -11.924 1.00 0.00 N ATOM 262 CA GLN A 20 8.057 -7.811 -12.547 1.00 0.00 C ATOM 263 C GLN A 20 7.049 -6.667 -12.531 1.00 0.00 C ATOM 264 O GLN A 20 6.304 -6.468 -13.492 1.00 0.00 O ATOM 265 CB GLN A 20 7.475 -9.030 -11.828 1.00 0.00 C ATOM 266 CG GLN A 20 8.118 -10.344 -12.241 1.00 0.00 C ATOM 267 CD GLN A 20 7.283 -11.549 -11.854 1.00 0.00 C ATOM 268 OE1 GLN A 20 7.680 -12.346 -11.004 1.00 0.00 O ATOM 269 NE2 GLN A 20 6.119 -11.687 -12.478 1.00 0.00 N ATOM 0 H GLN A 20 9.575 -7.959 -11.107 1.00 0.00 H new ATOM 0 HA GLN A 20 8.263 -8.074 -13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.595 -8.899 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.404 -9.081 -12.026 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.273 -10.345 -13.320 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.101 -10.424 -11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.830 -11.002 -13.176 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.514 -12.478 -12.259 1.00 0.00 H new ATOM 278 N LEU A 21 7.030 -5.917 -11.435 1.00 0.00 N ATOM 279 CA LEU A 21 6.113 -4.792 -11.293 1.00 0.00 C ATOM 280 C LEU A 21 6.683 -3.539 -11.949 1.00 0.00 C ATOM 281 O LEU A 21 7.849 -3.189 -11.769 1.00 0.00 O ATOM 282 CB LEU A 21 5.829 -4.523 -9.814 1.00 0.00 C ATOM 283 CG LEU A 21 5.829 -5.747 -8.897 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.212 -5.404 -7.550 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.082 -6.901 -9.549 1.00 0.00 C ATOM 0 H LEU A 21 7.640 -6.068 -10.631 1.00 0.00 H new ATOM 0 HA LEU A 21 5.180 -5.050 -11.794 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.573 -3.817 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.858 -4.034 -9.734 1.00 0.00 H new ATOM 0 HG LEU A 21 6.862 -6.055 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.220 -6.287 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.788 -4.608 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.184 -5.071 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.092 -7.764 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.051 -6.604 -9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.567 -7.163 -10.489 1.00 0.00 H new ATOM 297 N PRO A 22 5.841 -2.843 -12.729 1.00 0.00 N ATOM 298 CA PRO A 22 6.238 -1.616 -13.425 1.00 0.00 C ATOM 299 C PRO A 22 6.466 -0.453 -12.466 1.00 0.00 C ATOM 300 O PRO A 22 7.374 0.355 -12.660 1.00 0.00 O ATOM 301 CB PRO A 22 5.046 -1.327 -14.342 1.00 0.00 C ATOM 302 CG PRO A 22 3.887 -1.980 -13.672 1.00 0.00 C ATOM 303 CD PRO A 22 4.436 -3.201 -12.989 1.00 0.00 C ATOM 0 HA PRO A 22 7.183 -1.736 -13.955 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.885 -0.255 -14.456 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.207 -1.733 -15.341 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.422 -1.306 -12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.119 -2.251 -14.397 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.900 -3.420 -12.066 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.357 -4.085 -13.622 1.00 0.00 H new ATOM 311 N ALA A 23 5.637 -0.374 -11.431 1.00 0.00 N ATOM 312 CA ALA A 23 5.750 0.689 -10.440 1.00 0.00 C ATOM 313 C ALA A 23 7.097 0.633 -9.726 1.00 0.00 C ATOM 314 O ALA A 23 7.663 1.665 -9.365 1.00 0.00 O ATOM 315 CB ALA A 23 4.613 0.596 -9.434 1.00 0.00 C ATOM 0 H ALA A 23 4.879 -1.034 -11.257 1.00 0.00 H new ATOM 0 HA ALA A 23 5.683 1.645 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.710 1.396 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.659 0.693 -9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.653 -0.368 -8.927 1.00 0.00 H new ATOM 321 N PHE A 24 7.605 -0.579 -9.526 1.00 0.00 N ATOM 322 CA PHE A 24 8.885 -0.769 -8.854 1.00 0.00 C ATOM 323 C PHE A 24 10.034 -0.752 -9.857 1.00 0.00 C ATOM 324 O PHE A 24 11.034 -0.063 -9.660 1.00 0.00 O ATOM 325 CB PHE A 24 8.887 -2.090 -8.081 1.00 0.00 C ATOM 326 CG PHE A 24 7.945 -2.103 -6.912 1.00 0.00 C ATOM 327 CD1 PHE A 24 7.871 -1.018 -6.053 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.132 -3.198 -6.672 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.005 -1.027 -4.976 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.263 -3.213 -5.597 1.00 0.00 C ATOM 331 CZ PHE A 24 6.199 -2.126 -4.748 1.00 0.00 C ATOM 0 H PHE A 24 7.150 -1.443 -9.820 1.00 0.00 H new ATOM 0 HA PHE A 24 9.026 0.055 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.621 -2.900 -8.761 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.897 -2.292 -7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.497 -0.156 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.177 -4.051 -7.333 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.958 -0.176 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.635 -4.074 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.521 -2.135 -3.908 1.00 0.00 H new ATOM 341 N ALA A 25 9.883 -1.516 -10.934 1.00 0.00 N ATOM 342 CA ALA A 25 10.907 -1.588 -11.969 1.00 0.00 C ATOM 343 C ALA A 25 11.380 -0.195 -12.371 1.00 0.00 C ATOM 344 O ALA A 25 12.579 0.081 -12.392 1.00 0.00 O ATOM 345 CB ALA A 25 10.379 -2.339 -13.183 1.00 0.00 C ATOM 0 H ALA A 25 9.062 -2.094 -11.112 1.00 0.00 H new ATOM 0 HA ALA A 25 11.761 -2.130 -11.563 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.154 -2.385 -13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.097 -3.351 -12.891 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.507 -1.820 -13.581 1.00 0.00 H new ATOM 351 N ASN A 26 10.431 0.678 -12.690 1.00 0.00 N ATOM 352 CA ASN A 26 10.751 2.043 -13.093 1.00 0.00 C ATOM 353 C ASN A 26 11.872 2.615 -12.231 1.00 0.00 C ATOM 354 O ASN A 26 12.770 3.291 -12.732 1.00 0.00 O ATOM 355 CB ASN A 26 9.510 2.931 -12.992 1.00 0.00 C ATOM 356 CG ASN A 26 9.713 4.285 -13.645 1.00 0.00 C ATOM 357 OD1 ASN A 26 10.205 5.222 -13.016 1.00 0.00 O ATOM 358 ND2 ASN A 26 9.334 4.393 -14.913 1.00 0.00 N ATOM 0 H ASN A 26 9.434 0.465 -12.677 1.00 0.00 H new ATOM 0 HA ASN A 26 11.089 2.020 -14.129 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.666 2.426 -13.463 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.252 3.072 -11.942 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.446 5.279 -15.405 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.931 3.590 -15.395 1.00 0.00 H new ATOM 365 N MET A 27 11.813 2.339 -10.933 1.00 0.00 N ATOM 366 CA MET A 27 12.824 2.825 -10.001 1.00 0.00 C ATOM 367 C MET A 27 14.159 2.125 -10.234 1.00 0.00 C ATOM 368 O MET A 27 14.265 1.231 -11.075 1.00 0.00 O ATOM 369 CB MET A 27 12.366 2.606 -8.558 1.00 0.00 C ATOM 370 CG MET A 27 10.945 3.077 -8.293 1.00 0.00 C ATOM 371 SD MET A 27 10.171 2.210 -6.915 1.00 0.00 S ATOM 372 CE MET A 27 8.592 3.051 -6.829 1.00 0.00 C ATOM 0 H MET A 27 11.076 1.781 -10.502 1.00 0.00 H new ATOM 0 HA MET A 27 12.958 3.893 -10.174 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.439 1.545 -8.320 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.045 3.131 -7.886 1.00 0.00 H new ATOM 0 HG2 MET A 27 10.954 4.147 -8.085 1.00 0.00 H new ATOM 0 HG3 MET A 27 10.345 2.932 -9.191 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.510 3.575 -5.877 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.517 3.769 -7.646 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.786 2.322 -6.912 1.00 0.00 H new ATOM 382 N THR A 28 15.177 2.536 -9.485 1.00 0.00 N ATOM 383 CA THR A 28 16.505 1.950 -9.611 1.00 0.00 C ATOM 384 C THR A 28 16.794 0.989 -8.464 1.00 0.00 C ATOM 385 O THR A 28 16.174 1.070 -7.404 1.00 0.00 O ATOM 386 CB THR A 28 17.598 3.036 -9.643 1.00 0.00 C ATOM 387 OG1 THR A 28 18.024 3.341 -8.311 1.00 0.00 O ATOM 388 CG2 THR A 28 17.086 4.299 -10.319 1.00 0.00 C ATOM 0 H THR A 28 15.107 3.273 -8.784 1.00 0.00 H new ATOM 0 HA THR A 28 16.520 1.402 -10.553 1.00 0.00 H new ATOM 0 HB THR A 28 18.443 2.654 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.720 4.031 -8.340 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.875 5.051 -10.330 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.790 4.069 -11.342 1.00 0.00 H new ATOM 0 HG23 THR A 28 16.226 4.683 -9.770 1.00 0.00 H new ATOM 396 N MET A 29 17.739 0.081 -8.682 1.00 0.00 N ATOM 397 CA MET A 29 18.111 -0.895 -7.664 1.00 0.00 C ATOM 398 C MET A 29 18.042 -0.279 -6.270 1.00 0.00 C ATOM 399 O MET A 29 17.338 -0.780 -5.394 1.00 0.00 O ATOM 400 CB MET A 29 19.519 -1.430 -7.929 1.00 0.00 C ATOM 401 CG MET A 29 19.877 -2.643 -7.087 1.00 0.00 C ATOM 402 SD MET A 29 19.035 -4.141 -7.633 1.00 0.00 S ATOM 403 CE MET A 29 19.486 -5.279 -6.326 1.00 0.00 C ATOM 0 H MET A 29 18.261 0.000 -9.554 1.00 0.00 H new ATOM 0 HA MET A 29 17.402 -1.721 -7.713 1.00 0.00 H new ATOM 0 HB2 MET A 29 19.607 -1.691 -8.984 1.00 0.00 H new ATOM 0 HB3 MET A 29 20.242 -0.638 -7.736 1.00 0.00 H new ATOM 0 HG2 MET A 29 20.955 -2.802 -7.126 1.00 0.00 H new ATOM 0 HG3 MET A 29 19.621 -2.446 -6.046 1.00 0.00 H new ATOM 0 HE1 MET A 29 19.039 -6.254 -6.522 1.00 0.00 H new ATOM 0 HE2 MET A 29 20.571 -5.378 -6.288 1.00 0.00 H new ATOM 0 HE3 MET A 29 19.123 -4.899 -5.371 1.00 0.00 H new ATOM 413 N SER A 30 18.779 0.809 -6.072 1.00 0.00 N ATOM 414 CA SER A 30 18.805 1.491 -4.783 1.00 0.00 C ATOM 415 C SER A 30 17.389 1.746 -4.275 1.00 0.00 C ATOM 416 O SER A 30 16.970 1.186 -3.262 1.00 0.00 O ATOM 417 CB SER A 30 19.564 2.814 -4.897 1.00 0.00 C ATOM 418 OG SER A 30 20.902 2.601 -5.315 1.00 0.00 O ATOM 0 H SER A 30 19.366 1.237 -6.788 1.00 0.00 H new ATOM 0 HA SER A 30 19.318 0.847 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.057 3.467 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.558 3.325 -3.934 1.00 0.00 H new ATOM 0 HG SER A 30 21.365 3.462 -5.382 1.00 0.00 H new ATOM 424 N VAL A 31 16.656 2.597 -4.986 1.00 0.00 N ATOM 425 CA VAL A 31 15.287 2.927 -4.609 1.00 0.00 C ATOM 426 C VAL A 31 14.489 1.670 -4.282 1.00 0.00 C ATOM 427 O VAL A 31 13.912 1.553 -3.201 1.00 0.00 O ATOM 428 CB VAL A 31 14.568 3.701 -5.730 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.112 3.944 -5.362 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.281 5.015 -6.012 1.00 0.00 C ATOM 0 H VAL A 31 16.988 3.070 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 31 15.346 3.557 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 31 14.593 3.098 -6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.620 4.492 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.610 2.988 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.062 4.526 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.760 5.549 -6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.289 5.626 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.306 4.813 -6.323 1.00 0.00 H new ATOM 440 N ARG A 32 14.461 0.732 -5.223 1.00 0.00 N ATOM 441 CA ARG A 32 13.734 -0.517 -5.034 1.00 0.00 C ATOM 442 C ARG A 32 14.017 -1.110 -3.657 1.00 0.00 C ATOM 443 O ARG A 32 13.101 -1.333 -2.866 1.00 0.00 O ATOM 444 CB ARG A 32 14.114 -1.523 -6.122 1.00 0.00 C ATOM 445 CG ARG A 32 13.794 -1.048 -7.530 1.00 0.00 C ATOM 446 CD ARG A 32 14.756 -1.638 -8.549 1.00 0.00 C ATOM 447 NE ARG A 32 14.220 -1.578 -9.907 1.00 0.00 N ATOM 448 CZ ARG A 32 14.839 -2.090 -10.965 1.00 0.00 C ATOM 449 NH1 ARG A 32 16.009 -2.696 -10.823 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.287 -1.996 -12.168 1.00 0.00 N ATOM 0 H ARG A 32 14.933 0.813 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 32 12.668 -0.301 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.181 -1.734 -6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.591 -2.461 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.773 -1.329 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.844 0.040 -7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.702 -1.099 -8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.969 -2.675 -8.289 1.00 0.00 H new ATOM 0 HE ARG A 32 13.321 -1.118 -10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.436 -2.770 -9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.482 -3.088 -11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.387 -1.530 -12.281 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.763 -2.389 -12.980 1.00 0.00 H new ATOM 464 N ARG A 33 15.292 -1.363 -3.379 1.00 0.00 N ATOM 465 CA ARG A 33 15.696 -1.931 -2.098 1.00 0.00 C ATOM 466 C ARG A 33 15.242 -1.044 -0.942 1.00 0.00 C ATOM 467 O ARG A 33 14.506 -1.486 -0.061 1.00 0.00 O ATOM 468 CB ARG A 33 17.214 -2.109 -2.052 1.00 0.00 C ATOM 469 CG ARG A 33 17.698 -2.903 -0.849 1.00 0.00 C ATOM 470 CD ARG A 33 17.997 -1.995 0.334 1.00 0.00 C ATOM 471 NE ARG A 33 18.254 -2.753 1.555 1.00 0.00 N ATOM 472 CZ ARG A 33 18.865 -2.247 2.620 1.00 0.00 C ATOM 473 NH1 ARG A 33 19.278 -0.987 2.614 1.00 0.00 N ATOM 474 NH2 ARG A 33 19.062 -3.000 3.694 1.00 0.00 N ATOM 0 H ARG A 33 16.062 -1.184 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 33 15.219 -2.906 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.540 -2.611 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 33 17.686 -1.127 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.941 -3.634 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.595 -3.461 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 33 18.863 -1.374 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.155 -1.322 0.496 1.00 0.00 H new ATOM 0 HE ARG A 33 17.947 -3.725 1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.127 -0.405 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.747 -0.600 3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.744 -3.969 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.531 -2.610 4.511 1.00 0.00 H new ATOM 488 N GLU A 34 15.686 0.209 -0.954 1.00 0.00 N ATOM 489 CA GLU A 34 15.326 1.157 0.094 1.00 0.00 C ATOM 490 C GLU A 34 13.860 1.002 0.487 1.00 0.00 C ATOM 491 O GLU A 34 13.520 0.995 1.670 1.00 0.00 O ATOM 492 CB GLU A 34 15.593 2.590 -0.371 1.00 0.00 C ATOM 493 CG GLU A 34 17.065 2.896 -0.587 1.00 0.00 C ATOM 494 CD GLU A 34 17.323 4.366 -0.852 1.00 0.00 C ATOM 495 OE1 GLU A 34 17.137 5.177 0.080 1.00 0.00 O ATOM 496 OE2 GLU A 34 17.710 4.706 -1.989 1.00 0.00 O ATOM 0 H GLU A 34 16.295 0.591 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 34 15.942 0.946 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.054 2.767 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.191 3.283 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.630 2.585 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.435 2.309 -1.428 1.00 0.00 H new ATOM 503 N LEU A 35 12.995 0.879 -0.514 1.00 0.00 N ATOM 504 CA LEU A 35 11.564 0.725 -0.275 1.00 0.00 C ATOM 505 C LEU A 35 11.276 -0.560 0.495 1.00 0.00 C ATOM 506 O LEU A 35 10.505 -0.560 1.456 1.00 0.00 O ATOM 507 CB LEU A 35 10.803 0.719 -1.602 1.00 0.00 C ATOM 508 CG LEU A 35 10.773 2.044 -2.364 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.474 1.806 -3.836 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.745 2.986 -1.755 1.00 0.00 C ATOM 0 H LEU A 35 13.260 0.883 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 35 11.228 1.570 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.246 -0.039 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.776 0.411 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 35 11.755 2.510 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.457 2.760 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.247 1.168 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.504 1.319 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.737 3.924 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.757 2.527 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.003 3.182 -0.714 1.00 0.00 H new ATOM 522 N CYS A 36 11.902 -1.652 0.070 1.00 0.00 N ATOM 523 CA CYS A 36 11.714 -2.944 0.720 1.00 0.00 C ATOM 524 C CYS A 36 12.129 -2.879 2.187 1.00 0.00 C ATOM 525 O CYS A 36 11.808 -3.770 2.973 1.00 0.00 O ATOM 526 CB CYS A 36 12.519 -4.024 -0.003 1.00 0.00 C ATOM 527 SG CYS A 36 12.309 -5.684 0.682 1.00 0.00 S ATOM 0 H CYS A 36 12.544 -1.668 -0.722 1.00 0.00 H new ATOM 0 HA CYS A 36 10.655 -3.198 0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.228 -4.037 -1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.576 -3.759 0.032 1.00 0.00 H new ATOM 0 HG CYS A 36 11.968 -5.597 1.933 1.00 0.00 H new ATOM 533 N SER A 37 12.847 -1.820 2.547 1.00 0.00 N ATOM 534 CA SER A 37 13.311 -1.642 3.918 1.00 0.00 C ATOM 535 C SER A 37 12.371 -0.725 4.695 1.00 0.00 C ATOM 536 O SER A 37 12.504 -0.564 5.908 1.00 0.00 O ATOM 537 CB SER A 37 14.728 -1.065 3.928 1.00 0.00 C ATOM 538 OG SER A 37 15.188 -0.866 5.253 1.00 0.00 O ATOM 0 H SER A 37 13.120 -1.073 1.909 1.00 0.00 H new ATOM 0 HA SER A 37 13.320 -2.619 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.403 -1.741 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.742 -0.118 3.389 1.00 0.00 H new ATOM 0 HG SER A 37 14.422 -0.724 5.847 1.00 0.00 H new ATOM 544 N VAL A 38 11.420 -0.125 3.986 1.00 0.00 N ATOM 545 CA VAL A 38 10.456 0.775 4.608 1.00 0.00 C ATOM 546 C VAL A 38 9.030 0.412 4.211 1.00 0.00 C ATOM 547 O VAL A 38 8.087 1.147 4.505 1.00 0.00 O ATOM 548 CB VAL A 38 10.728 2.241 4.222 1.00 0.00 C ATOM 549 CG1 VAL A 38 12.135 2.649 4.630 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.516 2.447 2.729 1.00 0.00 C ATOM 0 H VAL A 38 11.297 -0.246 2.981 1.00 0.00 H new ATOM 0 HA VAL A 38 10.569 0.664 5.686 1.00 0.00 H new ATOM 0 HB VAL A 38 10.022 2.876 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.309 3.688 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.247 2.541 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.860 2.011 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.712 3.488 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.196 1.802 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.487 2.198 2.470 1.00 0.00 H new ATOM 560 N MET A 39 8.879 -0.726 3.541 1.00 0.00 N ATOM 561 CA MET A 39 7.566 -1.187 3.105 1.00 0.00 C ATOM 562 C MET A 39 7.056 -2.305 4.008 1.00 0.00 C ATOM 563 O MET A 39 7.800 -3.221 4.359 1.00 0.00 O ATOM 564 CB MET A 39 7.629 -1.674 1.656 1.00 0.00 C ATOM 565 CG MET A 39 7.919 -3.161 1.527 1.00 0.00 C ATOM 566 SD MET A 39 7.892 -3.727 -0.185 1.00 0.00 S ATOM 567 CE MET A 39 8.578 -2.302 -1.024 1.00 0.00 C ATOM 0 H MET A 39 9.649 -1.345 3.288 1.00 0.00 H new ATOM 0 HA MET A 39 6.873 -0.348 3.169 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.681 -1.453 1.165 1.00 0.00 H new ATOM 0 HB3 MET A 39 8.400 -1.114 1.126 1.00 0.00 H new ATOM 0 HG2 MET A 39 8.895 -3.376 1.961 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.183 -3.722 2.103 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.803 -1.824 -1.623 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.956 -1.593 -0.287 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.394 -2.620 -1.673 1.00 0.00 H new ATOM 577 N ILE A 40 5.783 -2.224 4.381 1.00 0.00 N ATOM 578 CA ILE A 40 5.174 -3.230 5.242 1.00 0.00 C ATOM 579 C ILE A 40 4.727 -4.446 4.437 1.00 0.00 C ATOM 580 O ILE A 40 4.562 -4.371 3.219 1.00 0.00 O ATOM 581 CB ILE A 40 3.963 -2.660 6.004 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.390 -1.473 6.870 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.318 -3.741 6.858 1.00 0.00 C ATOM 584 CD1 ILE A 40 3.268 -0.500 7.157 1.00 0.00 C ATOM 0 H ILE A 40 5.154 -1.472 4.100 1.00 0.00 H new ATOM 0 HA ILE A 40 5.936 -3.533 5.960 1.00 0.00 H new ATOM 0 HB ILE A 40 3.228 -2.310 5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.787 -1.846 7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.201 -0.943 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.464 -3.323 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.983 -4.558 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.045 -4.118 7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.643 0.316 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.886 -0.098 6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.465 -1.016 7.684 1.00 0.00 H new ATOM 596 N PHE A 41 4.532 -5.566 5.126 1.00 0.00 N ATOM 597 CA PHE A 41 4.104 -6.798 4.475 1.00 0.00 C ATOM 598 C PHE A 41 2.678 -7.160 4.881 1.00 0.00 C ATOM 599 O PHE A 41 2.427 -7.553 6.020 1.00 0.00 O ATOM 600 CB PHE A 41 5.054 -7.944 4.831 1.00 0.00 C ATOM 601 CG PHE A 41 6.410 -7.817 4.198 1.00 0.00 C ATOM 602 CD1 PHE A 41 6.538 -7.689 2.824 1.00 0.00 C ATOM 603 CD2 PHE A 41 7.556 -7.827 4.976 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.785 -7.571 2.238 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.805 -7.709 4.396 1.00 0.00 C ATOM 606 CZ PHE A 41 8.919 -7.583 3.025 1.00 0.00 C ATOM 0 H PHE A 41 4.664 -5.645 6.134 1.00 0.00 H new ATOM 0 HA PHE A 41 4.127 -6.637 3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.170 -7.986 5.914 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.604 -8.888 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.654 -7.681 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.473 -7.928 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.872 -7.470 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.691 -7.715 5.014 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.894 -7.494 2.569 1.00 0.00 H new ATOM 616 N GLU A 42 1.749 -7.024 3.940 1.00 0.00 N ATOM 617 CA GLU A 42 0.348 -7.335 4.200 1.00 0.00 C ATOM 618 C GLU A 42 -0.239 -8.181 3.074 1.00 0.00 C ATOM 619 O GLU A 42 0.179 -8.077 1.921 1.00 0.00 O ATOM 620 CB GLU A 42 -0.462 -6.047 4.361 1.00 0.00 C ATOM 621 CG GLU A 42 -0.229 -5.343 5.687 1.00 0.00 C ATOM 622 CD GLU A 42 -1.079 -4.097 5.843 1.00 0.00 C ATOM 623 OE1 GLU A 42 -2.301 -4.235 6.060 1.00 0.00 O ATOM 624 OE2 GLU A 42 -0.521 -2.984 5.748 1.00 0.00 O ATOM 0 H GLU A 42 1.941 -6.701 2.992 1.00 0.00 H new ATOM 0 HA GLU A 42 0.295 -7.907 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.210 -5.366 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.522 -6.280 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.447 -6.032 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.824 -5.073 5.771 1.00 0.00 H new ATOM 631 N VAL A 43 -1.212 -9.020 3.417 1.00 0.00 N ATOM 632 CA VAL A 43 -1.858 -9.885 2.437 1.00 0.00 C ATOM 633 C VAL A 43 -3.280 -10.232 2.863 1.00 0.00 C ATOM 634 O VAL A 43 -3.496 -10.811 3.928 1.00 0.00 O ATOM 635 CB VAL A 43 -1.063 -11.187 2.227 1.00 0.00 C ATOM 636 CG1 VAL A 43 -0.653 -11.784 3.565 1.00 0.00 C ATOM 637 CG2 VAL A 43 -1.879 -12.184 1.417 1.00 0.00 C ATOM 0 H VAL A 43 -1.570 -9.119 4.367 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.889 -9.332 1.498 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.157 -10.953 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.092 -12.703 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.029 -11.072 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.544 -12.005 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.302 -13.098 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.803 -12.415 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.117 -11.754 0.444 1.00 0.00 H new ATOM 647 N VAL A 44 -4.247 -9.876 2.023 1.00 0.00 N ATOM 648 CA VAL A 44 -5.649 -10.151 2.312 1.00 0.00 C ATOM 649 C VAL A 44 -6.029 -11.567 1.893 1.00 0.00 C ATOM 650 O VAL A 44 -5.757 -11.985 0.768 1.00 0.00 O ATOM 651 CB VAL A 44 -6.576 -9.150 1.597 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.033 -9.456 1.908 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.226 -7.724 1.992 1.00 0.00 C ATOM 0 H VAL A 44 -4.085 -9.397 1.137 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.776 -10.047 3.390 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.430 -9.251 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.673 -8.739 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.273 -10.464 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.198 -9.385 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.891 -7.030 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.342 -7.606 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.194 -7.512 1.713 1.00 0.00 H new ATOM 663 N GLU A 45 -6.658 -12.300 2.806 1.00 0.00 N ATOM 664 CA GLU A 45 -7.075 -13.670 2.530 1.00 0.00 C ATOM 665 C GLU A 45 -8.519 -13.711 2.038 1.00 0.00 C ATOM 666 O GLU A 45 -8.856 -14.481 1.139 1.00 0.00 O ATOM 667 CB GLU A 45 -6.928 -14.533 3.785 1.00 0.00 C ATOM 668 CG GLU A 45 -5.565 -15.193 3.914 1.00 0.00 C ATOM 669 CD GLU A 45 -5.589 -16.410 4.818 1.00 0.00 C ATOM 670 OE1 GLU A 45 -5.680 -16.232 6.050 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.516 -17.540 4.292 1.00 0.00 O ATOM 0 H GLU A 45 -6.890 -11.969 3.742 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.431 -14.068 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.107 -13.914 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.697 -15.305 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.213 -15.487 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.850 -14.469 4.305 1.00 0.00 H new ATOM 678 N GLN A 46 -9.365 -12.877 2.633 1.00 0.00 N ATOM 679 CA GLN A 46 -10.772 -12.819 2.256 1.00 0.00 C ATOM 680 C GLN A 46 -10.979 -11.886 1.068 1.00 0.00 C ATOM 681 O GLN A 46 -10.904 -10.665 1.205 1.00 0.00 O ATOM 682 CB GLN A 46 -11.620 -12.352 3.440 1.00 0.00 C ATOM 683 CG GLN A 46 -11.264 -10.958 3.932 1.00 0.00 C ATOM 684 CD GLN A 46 -11.729 -10.704 5.353 1.00 0.00 C ATOM 685 OE1 GLN A 46 -12.379 -11.551 5.966 1.00 0.00 O ATOM 686 NE2 GLN A 46 -11.398 -9.533 5.883 1.00 0.00 N ATOM 0 H GLN A 46 -9.101 -12.232 3.378 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.086 -13.822 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.671 -12.369 3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.503 -13.059 4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.184 -10.822 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.712 -10.218 3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.858 -8.861 5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.684 -9.305 6.835 1.00 0.00 H new ATOM 695 N ALA A 47 -11.240 -12.469 -0.098 1.00 0.00 N ATOM 696 CA ALA A 47 -11.460 -11.689 -1.309 1.00 0.00 C ATOM 697 C ALA A 47 -12.536 -10.630 -1.094 1.00 0.00 C ATOM 698 O ALA A 47 -13.033 -10.454 0.018 1.00 0.00 O ATOM 699 CB ALA A 47 -11.841 -12.604 -2.464 1.00 0.00 C ATOM 0 H ALA A 47 -11.304 -13.479 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.529 -11.178 -1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.002 -12.008 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.038 -13.319 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.756 -13.141 -2.216 1.00 0.00 H new ATOM 705 N GLY A 48 -12.891 -9.927 -2.165 1.00 0.00 N ATOM 706 CA GLY A 48 -13.905 -8.894 -2.071 1.00 0.00 C ATOM 707 C GLY A 48 -13.728 -8.017 -0.847 1.00 0.00 C ATOM 708 O GLY A 48 -14.705 -7.543 -0.268 1.00 0.00 O ATOM 0 H GLY A 48 -12.494 -10.055 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.871 -8.274 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.891 -9.358 -2.042 1.00 0.00 H new ATOM 712 N ALA A 49 -12.478 -7.801 -0.452 1.00 0.00 N ATOM 713 CA ALA A 49 -12.176 -6.975 0.711 1.00 0.00 C ATOM 714 C ALA A 49 -11.913 -5.529 0.303 1.00 0.00 C ATOM 715 O ALA A 49 -11.292 -5.268 -0.727 1.00 0.00 O ATOM 716 CB ALA A 49 -10.979 -7.539 1.462 1.00 0.00 C ATOM 0 H ALA A 49 -11.658 -8.186 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.044 -6.987 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.765 -6.913 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.203 -8.553 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.111 -7.556 0.803 1.00 0.00 H new ATOM 722 N ILE A 50 -12.391 -4.594 1.117 1.00 0.00 N ATOM 723 CA ILE A 50 -12.207 -3.175 0.841 1.00 0.00 C ATOM 724 C ILE A 50 -10.810 -2.713 1.242 1.00 0.00 C ATOM 725 O ILE A 50 -10.481 -2.653 2.427 1.00 0.00 O ATOM 726 CB ILE A 50 -13.250 -2.317 1.581 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.664 -2.701 1.138 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.994 -0.839 1.331 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.049 -4.116 1.507 1.00 0.00 C ATOM 0 H ILE A 50 -12.909 -4.794 1.973 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.337 -3.044 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.161 -2.505 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.377 -2.010 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.742 -2.582 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.739 -0.246 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.999 -0.576 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.060 -0.634 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.063 -4.319 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.359 -4.816 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.003 -4.235 2.590 1.00 0.00 H new ATOM 741 N ILE A 51 -9.992 -2.387 0.246 1.00 0.00 N ATOM 742 CA ILE A 51 -8.632 -1.928 0.496 1.00 0.00 C ATOM 743 C ILE A 51 -8.622 -0.498 1.026 1.00 0.00 C ATOM 744 O ILE A 51 -7.877 -0.172 1.951 1.00 0.00 O ATOM 745 CB ILE A 51 -7.772 -1.996 -0.781 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.145 -3.227 -1.608 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.294 -2.019 -0.423 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.146 -4.513 -0.811 1.00 0.00 C ATOM 0 H ILE A 51 -10.248 -2.432 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.207 -2.594 1.247 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.967 -1.107 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.134 -3.077 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.444 -3.324 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.699 -2.067 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.039 -1.114 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.083 -2.892 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.419 -5.344 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.152 -4.686 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.868 -4.436 0.002 1.00 0.00 H new ATOM 760 N LEU A 52 -9.456 0.351 0.436 1.00 0.00 N ATOM 761 CA LEU A 52 -9.546 1.747 0.850 1.00 0.00 C ATOM 762 C LEU A 52 -10.973 2.267 0.705 1.00 0.00 C ATOM 763 O LEU A 52 -11.785 1.685 -0.012 1.00 0.00 O ATOM 764 CB LEU A 52 -8.591 2.608 0.021 1.00 0.00 C ATOM 765 CG LEU A 52 -7.108 2.251 0.120 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.309 2.987 -0.945 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.573 2.573 1.508 1.00 0.00 C ATOM 0 H LEU A 52 -10.079 0.097 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.261 1.808 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.891 2.543 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.715 3.648 0.324 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.000 1.180 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.256 2.720 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.675 2.707 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.423 4.062 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.516 2.312 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.694 3.638 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.125 2.000 2.253 1.00 0.00 H new ATOM 779 N GLU A 53 -11.269 3.367 1.391 1.00 0.00 N ATOM 780 CA GLU A 53 -12.597 3.965 1.337 1.00 0.00 C ATOM 781 C GLU A 53 -12.544 5.354 0.707 1.00 0.00 C ATOM 782 O GLU A 53 -11.606 6.117 0.939 1.00 0.00 O ATOM 783 CB GLU A 53 -13.198 4.054 2.742 1.00 0.00 C ATOM 784 CG GLU A 53 -13.834 2.758 3.215 1.00 0.00 C ATOM 785 CD GLU A 53 -14.213 2.795 4.683 1.00 0.00 C ATOM 786 OE1 GLU A 53 -13.297 2.779 5.532 1.00 0.00 O ATOM 787 OE2 GLU A 53 -15.424 2.841 4.982 1.00 0.00 O ATOM 0 H GLU A 53 -10.607 3.861 1.990 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.229 3.328 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.416 4.343 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.949 4.844 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.724 2.556 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.141 1.934 3.043 1.00 0.00 H new ATOM 794 N ASP A 54 -13.555 5.674 -0.093 1.00 0.00 N ATOM 795 CA ASP A 54 -13.625 6.970 -0.757 1.00 0.00 C ATOM 796 C ASP A 54 -13.576 8.105 0.261 1.00 0.00 C ATOM 797 O ASP A 54 -14.323 8.109 1.238 1.00 0.00 O ATOM 798 CB ASP A 54 -14.902 7.071 -1.592 1.00 0.00 C ATOM 799 CG ASP A 54 -16.154 6.853 -0.765 1.00 0.00 C ATOM 800 OD1 ASP A 54 -16.336 5.730 -0.249 1.00 0.00 O ATOM 801 OD2 ASP A 54 -16.950 7.806 -0.632 1.00 0.00 O ATOM 0 H ASP A 54 -14.338 5.053 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.762 7.060 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.948 8.053 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.867 6.334 -2.394 1.00 0.00 H new ATOM 806 N GLY A 55 -12.690 9.068 0.024 1.00 0.00 N ATOM 807 CA GLY A 55 -12.560 10.195 0.929 1.00 0.00 C ATOM 808 C GLY A 55 -11.605 9.913 2.072 1.00 0.00 C ATOM 809 O GLY A 55 -11.600 10.627 3.075 1.00 0.00 O ATOM 0 H GLY A 55 -12.060 9.088 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.210 11.065 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.540 10.448 1.333 1.00 0.00 H new ATOM 813 N GLN A 56 -10.796 8.869 1.922 1.00 0.00 N ATOM 814 CA GLN A 56 -9.835 8.494 2.952 1.00 0.00 C ATOM 815 C GLN A 56 -8.477 9.137 2.690 1.00 0.00 C ATOM 816 O GLN A 56 -7.844 8.875 1.668 1.00 0.00 O ATOM 817 CB GLN A 56 -9.689 6.972 3.013 1.00 0.00 C ATOM 818 CG GLN A 56 -8.941 6.481 4.242 1.00 0.00 C ATOM 819 CD GLN A 56 -8.641 4.996 4.188 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.275 4.250 3.442 1.00 0.00 O ATOM 821 NE2 GLN A 56 -7.669 4.559 4.980 1.00 0.00 N ATOM 0 H GLN A 56 -10.787 8.268 1.098 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.208 8.855 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.680 6.519 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.167 6.629 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.006 7.033 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.532 6.696 5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.169 5.213 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.422 3.569 4.986 1.00 0.00 H new ATOM 830 N GLU A 57 -8.037 9.979 3.619 1.00 0.00 N ATOM 831 CA GLU A 57 -6.755 10.660 3.487 1.00 0.00 C ATOM 832 C GLU A 57 -5.632 9.660 3.225 1.00 0.00 C ATOM 833 O GLU A 57 -5.051 9.103 4.157 1.00 0.00 O ATOM 834 CB GLU A 57 -6.448 11.468 4.750 1.00 0.00 C ATOM 835 CG GLU A 57 -5.164 12.275 4.659 1.00 0.00 C ATOM 836 CD GLU A 57 -4.498 12.464 6.008 1.00 0.00 C ATOM 837 OE1 GLU A 57 -4.926 13.363 6.762 1.00 0.00 O ATOM 838 OE2 GLU A 57 -3.547 11.712 6.310 1.00 0.00 O ATOM 0 H GLU A 57 -8.549 10.206 4.471 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.820 11.339 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.279 12.145 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.380 10.788 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.471 11.774 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.382 13.251 4.226 1.00 0.00 H new ATOM 845 N LEU A 58 -5.333 9.438 1.950 1.00 0.00 N ATOM 846 CA LEU A 58 -4.280 8.504 1.563 1.00 0.00 C ATOM 847 C LEU A 58 -2.917 8.990 2.046 1.00 0.00 C ATOM 848 O LEU A 58 -2.447 10.053 1.642 1.00 0.00 O ATOM 849 CB LEU A 58 -4.261 8.327 0.044 1.00 0.00 C ATOM 850 CG LEU A 58 -5.583 7.905 -0.599 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.687 8.450 -2.015 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.716 6.389 -0.599 1.00 0.00 C ATOM 0 H LEU A 58 -5.804 9.891 1.167 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.490 7.543 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.944 9.267 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.505 7.583 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.400 8.322 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.634 8.139 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.638 9.539 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.863 8.063 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.662 6.107 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.893 5.952 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.688 6.021 0.427 1.00 0.00 H new ATOM 864 N ASP A 59 -2.288 8.203 2.912 1.00 0.00 N ATOM 865 CA ASP A 59 -0.977 8.551 3.448 1.00 0.00 C ATOM 866 C ASP A 59 0.046 7.464 3.130 1.00 0.00 C ATOM 867 O ASP A 59 1.238 7.740 2.999 1.00 0.00 O ATOM 868 CB ASP A 59 -1.061 8.763 4.960 1.00 0.00 C ATOM 869 CG ASP A 59 0.204 9.374 5.530 1.00 0.00 C ATOM 870 OD1 ASP A 59 1.284 9.161 4.941 1.00 0.00 O ATOM 871 OD2 ASP A 59 0.113 10.067 6.565 1.00 0.00 O ATOM 0 H ASP A 59 -2.664 7.320 3.258 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.653 9.479 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.908 9.411 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.251 7.807 5.448 1.00 0.00 H new ATOM 876 N SER A 60 -0.429 6.229 3.009 1.00 0.00 N ATOM 877 CA SER A 60 0.445 5.100 2.711 1.00 0.00 C ATOM 878 C SER A 60 0.220 4.599 1.288 1.00 0.00 C ATOM 879 O SER A 60 -0.917 4.403 0.860 1.00 0.00 O ATOM 880 CB SER A 60 0.203 3.964 3.707 1.00 0.00 C ATOM 881 OG SER A 60 -0.042 4.470 5.008 1.00 0.00 O ATOM 0 H SER A 60 -1.414 5.984 3.113 1.00 0.00 H new ATOM 0 HA SER A 60 1.477 5.439 2.800 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.647 3.365 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.070 3.303 3.728 1.00 0.00 H new ATOM 0 HG SER A 60 -0.195 3.725 5.625 1.00 0.00 H new ATOM 887 N TRP A 61 1.312 4.396 0.560 1.00 0.00 N ATOM 888 CA TRP A 61 1.235 3.918 -0.816 1.00 0.00 C ATOM 889 C TRP A 61 0.946 2.422 -0.857 1.00 0.00 C ATOM 890 O TRP A 61 1.489 1.653 -0.064 1.00 0.00 O ATOM 891 CB TRP A 61 2.540 4.218 -1.555 1.00 0.00 C ATOM 892 CG TRP A 61 2.475 3.916 -3.022 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.403 4.095 -3.849 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.525 3.381 -3.834 1.00 0.00 C ATOM 895 NE1 TRP A 61 1.723 3.702 -5.126 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.020 3.261 -5.143 1.00 0.00 C ATOM 897 CE3 TRP A 61 4.844 2.993 -3.583 1.00 0.00 C ATOM 898 CZ2 TRP A 61 3.788 2.769 -6.195 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.605 2.504 -4.628 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.076 2.397 -5.921 1.00 0.00 C ATOM 0 H TRP A 61 2.261 4.555 0.899 1.00 0.00 H new ATOM 0 HA TRP A 61 0.417 4.441 -1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.793 5.269 -1.419 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.345 3.636 -1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.444 4.488 -3.544 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.097 3.733 -5.931 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.261 3.074 -2.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.382 2.684 -7.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.625 2.199 -4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.697 2.013 -6.717 1.00 0.00 H new ATOM 911 N TYR A 62 0.088 2.015 -1.786 1.00 0.00 N ATOM 912 CA TYR A 62 -0.275 0.610 -1.929 1.00 0.00 C ATOM 913 C TYR A 62 0.129 0.080 -3.302 1.00 0.00 C ATOM 914 O TYR A 62 -0.195 0.675 -4.330 1.00 0.00 O ATOM 915 CB TYR A 62 -1.779 0.426 -1.721 1.00 0.00 C ATOM 916 CG TYR A 62 -2.263 0.888 -0.365 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.486 2.234 -0.106 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.499 -0.024 0.657 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.928 2.660 1.131 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.942 0.393 1.898 1.00 0.00 C ATOM 921 CZ TYR A 62 -3.155 1.736 2.130 1.00 0.00 C ATOM 922 OH TYR A 62 -3.596 2.157 3.364 1.00 0.00 O ATOM 0 H TYR A 62 -0.369 2.638 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 62 0.262 0.043 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.314 0.975 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.029 -0.627 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.311 2.960 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.333 -1.076 0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.095 3.711 1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.120 -0.328 2.682 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.707 1.382 3.953 1.00 0.00 H new ATOM 932 N VAL A 63 0.837 -1.045 -3.310 1.00 0.00 N ATOM 933 CA VAL A 63 1.284 -1.658 -4.555 1.00 0.00 C ATOM 934 C VAL A 63 0.774 -3.089 -4.677 1.00 0.00 C ATOM 935 O VAL A 63 0.980 -3.911 -3.783 1.00 0.00 O ATOM 936 CB VAL A 63 2.821 -1.662 -4.658 1.00 0.00 C ATOM 937 CG1 VAL A 63 3.265 -2.257 -5.986 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.370 -0.254 -4.485 1.00 0.00 C ATOM 0 H VAL A 63 1.113 -1.550 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 63 0.874 -1.059 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 63 3.220 -2.284 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.354 -2.252 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.903 -3.282 -6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.857 -1.664 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.457 -0.276 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.965 0.393 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.082 0.131 -3.507 1.00 0.00 H new ATOM 948 N ILE A 64 0.108 -3.381 -5.789 1.00 0.00 N ATOM 949 CA ILE A 64 -0.431 -4.714 -6.029 1.00 0.00 C ATOM 950 C ILE A 64 0.688 -5.736 -6.204 1.00 0.00 C ATOM 951 O ILE A 64 1.407 -5.720 -7.204 1.00 0.00 O ATOM 952 CB ILE A 64 -1.335 -4.740 -7.275 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.534 -3.810 -7.082 1.00 0.00 C ATOM 954 CG2 ILE A 64 -1.800 -6.160 -7.562 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.377 -3.644 -8.327 1.00 0.00 C ATOM 0 H ILE A 64 -0.071 -2.712 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.026 -4.976 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.760 -4.387 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.160 -4.199 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.176 -2.831 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.438 -6.162 -8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.934 -6.798 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.362 -6.539 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.209 -2.972 -8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.766 -3.226 -9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.764 -4.615 -8.636 1.00 0.00 H new ATOM 967 N LEU A 65 0.828 -6.624 -5.227 1.00 0.00 N ATOM 968 CA LEU A 65 1.859 -7.656 -5.273 1.00 0.00 C ATOM 969 C LEU A 65 1.326 -8.928 -5.924 1.00 0.00 C ATOM 970 O LEU A 65 2.044 -9.611 -6.654 1.00 0.00 O ATOM 971 CB LEU A 65 2.363 -7.964 -3.862 1.00 0.00 C ATOM 972 CG LEU A 65 3.014 -6.801 -3.113 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.384 -7.218 -1.698 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.241 -6.303 -3.863 1.00 0.00 C ATOM 0 H LEU A 65 0.241 -6.651 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 65 2.688 -7.282 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.523 -8.327 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.085 -8.779 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 65 2.294 -5.985 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.846 -6.378 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.486 -7.525 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.086 -8.051 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.691 -5.475 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.964 -7.113 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.947 -5.964 -4.856 1.00 0.00 H new ATOM 986 N ASN A 66 0.062 -9.239 -5.657 1.00 0.00 N ATOM 987 CA ASN A 66 -0.568 -10.429 -6.218 1.00 0.00 C ATOM 988 C ASN A 66 -2.087 -10.286 -6.230 1.00 0.00 C ATOM 989 O ASN A 66 -2.679 -9.767 -5.285 1.00 0.00 O ATOM 990 CB ASN A 66 -0.167 -11.670 -5.418 1.00 0.00 C ATOM 991 CG ASN A 66 -0.424 -12.956 -6.178 1.00 0.00 C ATOM 992 OD1 ASN A 66 0.281 -13.277 -7.135 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.439 -13.701 -5.754 1.00 0.00 N ATOM 0 H ASN A 66 -0.546 -8.684 -5.056 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.223 -10.541 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.891 -11.608 -5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.721 -11.689 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.660 -14.578 -6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.997 -13.396 -4.956 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.711 -10.752 -7.308 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.155 -10.667 -7.422 1.00 0.00 C ATOM 1002 C GLY A 67 -4.605 -9.447 -8.201 1.00 0.00 C ATOM 1003 O GLY A 67 -3.780 -8.688 -8.712 1.00 0.00 O ATOM 0 H GLY A 67 -2.243 -11.186 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.531 -11.566 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.594 -10.640 -6.425 1.00 0.00 H new ATOM 1007 N THR A 68 -5.917 -9.256 -8.293 1.00 0.00 N ATOM 1008 CA THR A 68 -6.475 -8.121 -9.017 1.00 0.00 C ATOM 1009 C THR A 68 -7.414 -7.311 -8.131 1.00 0.00 C ATOM 1010 O THR A 68 -8.247 -7.870 -7.417 1.00 0.00 O ATOM 1011 CB THR A 68 -7.241 -8.577 -10.274 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.319 -9.024 -11.274 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.091 -7.445 -10.830 1.00 0.00 C ATOM 0 H THR A 68 -6.613 -9.873 -7.875 1.00 0.00 H new ATOM 0 HA THR A 68 -5.635 -7.496 -9.319 1.00 0.00 H new ATOM 0 HB THR A 68 -7.899 -9.400 -9.993 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.814 -9.314 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.622 -7.791 -11.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.811 -7.127 -10.076 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.449 -6.605 -11.096 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.275 -5.990 -8.180 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.112 -5.102 -7.382 1.00 0.00 C ATOM 1023 C VAL A 69 -8.972 -4.212 -8.272 1.00 0.00 C ATOM 1024 O VAL A 69 -8.479 -3.606 -9.222 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.263 -4.214 -6.453 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.586 -5.056 -5.382 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.235 -3.433 -7.257 1.00 0.00 C ATOM 0 H VAL A 69 -6.590 -5.511 -8.764 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.758 -5.736 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.922 -3.501 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.991 -4.412 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.344 -5.567 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.938 -5.794 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.644 -2.811 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.578 -4.128 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.745 -2.800 -7.983 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.261 -4.137 -7.955 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.191 -3.320 -8.726 1.00 0.00 C ATOM 1039 C GLU A 70 -11.534 -2.034 -7.979 1.00 0.00 C ATOM 1040 O GLU A 70 -11.909 -2.067 -6.807 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.469 -4.106 -9.025 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.483 -3.329 -9.848 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.746 -4.124 -10.118 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -14.648 -5.202 -10.740 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -15.833 -3.666 -9.708 1.00 0.00 O ATOM 0 H GLU A 70 -10.685 -4.632 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.708 -3.055 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.207 -5.021 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.930 -4.405 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.742 -2.409 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.031 -3.039 -10.796 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.403 -0.905 -8.667 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.700 0.391 -8.069 1.00 0.00 C ATOM 1054 C ILE A 71 -13.035 0.933 -8.567 1.00 0.00 C ATOM 1055 O ILE A 71 -13.356 0.830 -9.751 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.594 1.419 -8.376 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.280 1.000 -7.715 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -11.013 2.804 -7.905 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.052 1.543 -8.412 1.00 0.00 C ATOM 0 H ILE A 71 -11.094 -0.861 -9.638 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.753 0.237 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.440 1.454 -9.455 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.280 1.339 -6.679 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.224 -0.088 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.222 3.519 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.927 3.102 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.191 2.784 -6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.157 1.206 -7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.028 1.183 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.084 2.633 -8.410 1.00 0.00 H new ATOM 1071 N SER A 72 -13.809 1.513 -7.655 1.00 0.00 N ATOM 1072 CA SER A 72 -15.112 2.070 -8.001 1.00 0.00 C ATOM 1073 C SER A 72 -15.128 3.581 -7.793 1.00 0.00 C ATOM 1074 O SER A 72 -14.752 4.078 -6.730 1.00 0.00 O ATOM 1075 CB SER A 72 -16.209 1.416 -7.160 1.00 0.00 C ATOM 1076 OG SER A 72 -16.418 2.126 -5.952 1.00 0.00 O ATOM 0 H SER A 72 -13.557 1.609 -6.671 1.00 0.00 H new ATOM 0 HA SER A 72 -15.301 1.863 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.137 1.382 -7.731 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.934 0.385 -6.937 1.00 0.00 H new ATOM 0 HG SER A 72 -15.689 2.767 -5.819 1.00 0.00 H new ATOM 1082 N HIS A 73 -15.568 4.309 -8.815 1.00 0.00 N ATOM 1083 CA HIS A 73 -15.635 5.764 -8.745 1.00 0.00 C ATOM 1084 C HIS A 73 -17.065 6.230 -8.486 1.00 0.00 C ATOM 1085 O HIS A 73 -18.034 5.620 -8.937 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.112 6.383 -10.042 1.00 0.00 C ATOM 1087 CG HIS A 73 -13.685 6.035 -10.338 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -12.618 6.626 -9.695 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.152 5.151 -11.213 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -11.490 6.122 -10.163 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -11.787 5.224 -11.085 1.00 0.00 N ATOM 0 H HIS A 73 -15.883 3.915 -9.701 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.008 6.092 -7.916 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.738 6.052 -10.871 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.208 7.467 -9.982 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -12.689 7.341 -8.971 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.699 4.508 -11.887 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.495 6.397 -9.846 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.201 7.337 -7.741 1.00 0.00 N ATOM 1101 CA PRO A 74 -18.508 7.909 -7.405 1.00 0.00 C ATOM 1102 C PRO A 74 -19.202 8.521 -8.617 1.00 0.00 C ATOM 1103 O PRO A 74 -20.423 8.676 -8.633 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.167 8.994 -6.380 1.00 0.00 C ATOM 1105 CG PRO A 74 -16.758 9.371 -6.681 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.089 8.116 -7.170 1.00 0.00 C ATOM 0 HA PRO A 74 -19.200 7.154 -7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.834 9.851 -6.474 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.268 8.621 -5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.717 10.155 -7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.259 9.758 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.325 8.333 -7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.598 7.580 -6.358 1.00 0.00 H new ATOM 1114 N ASP A 75 -18.416 8.868 -9.630 1.00 0.00 N ATOM 1115 CA ASP A 75 -18.955 9.462 -10.848 1.00 0.00 C ATOM 1116 C ASP A 75 -19.690 8.417 -11.683 1.00 0.00 C ATOM 1117 O ASP A 75 -20.737 8.698 -12.265 1.00 0.00 O ATOM 1118 CB ASP A 75 -17.833 10.094 -11.673 1.00 0.00 C ATOM 1119 CG ASP A 75 -16.632 9.180 -11.814 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -16.688 8.253 -12.648 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -15.637 9.391 -11.090 1.00 0.00 O ATOM 0 H ASP A 75 -17.403 8.748 -9.632 1.00 0.00 H new ATOM 0 HA ASP A 75 -19.665 10.237 -10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.212 10.346 -12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.522 11.027 -11.203 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.133 7.211 -11.737 1.00 0.00 N ATOM 1127 CA GLY A 76 -19.749 6.144 -12.503 1.00 0.00 C ATOM 1128 C GLY A 76 -18.745 5.381 -13.345 1.00 0.00 C ATOM 1129 O GLY A 76 -19.069 4.904 -14.433 1.00 0.00 O ATOM 0 H GLY A 76 -18.267 6.954 -11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.247 5.453 -11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.518 6.564 -13.151 1.00 0.00 H new ATOM 1133 N LYS A 77 -17.520 5.267 -12.843 1.00 0.00 N ATOM 1134 CA LYS A 77 -16.463 4.558 -13.555 1.00 0.00 C ATOM 1135 C LYS A 77 -15.817 3.504 -12.661 1.00 0.00 C ATOM 1136 O LYS A 77 -15.937 3.556 -11.437 1.00 0.00 O ATOM 1137 CB LYS A 77 -15.402 5.543 -14.049 1.00 0.00 C ATOM 1138 CG LYS A 77 -14.709 5.101 -15.326 1.00 0.00 C ATOM 1139 CD LYS A 77 -15.639 5.187 -16.525 1.00 0.00 C ATOM 1140 CE LYS A 77 -15.795 6.622 -17.007 1.00 0.00 C ATOM 1141 NZ LYS A 77 -16.861 7.345 -16.259 1.00 0.00 N ATOM 0 H LYS A 77 -17.234 5.657 -11.945 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.911 4.056 -14.413 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.869 6.513 -14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.654 5.680 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.832 5.725 -15.499 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.354 4.077 -15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.249 4.570 -17.335 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.616 4.783 -16.259 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.848 7.149 -16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.032 6.624 -18.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.516 7.792 -16.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.384 6.672 -15.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.429 8.076 -15.659 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.129 2.550 -13.280 1.00 0.00 N ATOM 1156 CA VAL A 78 -14.461 1.486 -12.541 1.00 0.00 C ATOM 1157 C VAL A 78 -13.139 1.106 -13.198 1.00 0.00 C ATOM 1158 O VAL A 78 -13.115 0.608 -14.323 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.349 0.232 -12.436 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -14.576 -0.919 -11.810 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -16.608 0.536 -11.638 1.00 0.00 C ATOM 0 H VAL A 78 -15.020 2.492 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.268 1.870 -11.539 1.00 0.00 H new ATOM 0 HB VAL A 78 -15.647 -0.066 -13.441 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.220 -1.796 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.707 -1.152 -12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.246 -0.635 -10.811 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.224 -0.361 -11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.333 0.860 -10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.171 1.327 -12.133 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.041 1.344 -12.488 1.00 0.00 N ATOM 1172 CA GLU A 79 -10.715 1.026 -13.003 1.00 0.00 C ATOM 1173 C GLU A 79 -10.358 -0.431 -12.726 1.00 0.00 C ATOM 1174 O GLU A 79 -10.774 -1.002 -11.719 1.00 0.00 O ATOM 1175 CB GLU A 79 -9.666 1.948 -12.377 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.461 3.245 -13.141 1.00 0.00 C ATOM 1177 CD GLU A 79 -8.972 4.374 -12.255 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -9.270 4.348 -11.042 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -8.291 5.283 -12.774 1.00 0.00 O ATOM 0 H GLU A 79 -12.044 1.756 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.726 1.180 -14.082 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.964 2.182 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.716 1.417 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.741 3.080 -13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.400 3.538 -13.611 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.585 -1.027 -13.628 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.172 -2.418 -13.482 1.00 0.00 C ATOM 1188 C ASN A 80 -7.652 -2.532 -13.430 1.00 0.00 C ATOM 1189 O ASN A 80 -6.971 -2.373 -14.444 1.00 0.00 O ATOM 1190 CB ASN A 80 -9.718 -3.258 -14.639 1.00 0.00 C ATOM 1191 CG ASN A 80 -9.845 -2.461 -15.923 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -8.878 -2.308 -16.670 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -11.041 -1.947 -16.185 1.00 0.00 N ATOM 0 H ASN A 80 -9.232 -0.568 -14.468 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.579 -2.795 -12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.060 -4.111 -14.807 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.694 -3.658 -14.365 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.186 -1.400 -17.034 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.814 -2.099 -15.538 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.125 -2.809 -12.242 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.685 -2.946 -12.057 1.00 0.00 C ATOM 1202 C LEU A 81 -5.275 -4.415 -12.037 1.00 0.00 C ATOM 1203 O LEU A 81 -6.099 -5.297 -11.795 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.252 -2.267 -10.757 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.492 -0.759 -10.675 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.410 -0.283 -9.233 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.490 -0.011 -11.543 1.00 0.00 C ATOM 0 H LEU A 81 -7.674 -2.943 -11.393 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.188 -2.461 -12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.777 -2.744 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.188 -2.454 -10.610 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.494 -0.549 -11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.583 0.792 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.167 -0.794 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.421 -0.506 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.676 1.061 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.478 -0.227 -11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.597 -0.330 -12.580 1.00 0.00 H new ATOM 1219 N PHE A 82 -3.996 -4.671 -12.292 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.476 -6.033 -12.303 1.00 0.00 C ATOM 1221 C PHE A 82 -2.146 -6.113 -11.560 1.00 0.00 C ATOM 1222 O PHE A 82 -1.559 -5.092 -11.204 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.301 -6.523 -13.741 1.00 0.00 C ATOM 1224 CG PHE A 82 -4.461 -6.189 -14.634 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -5.687 -6.811 -14.461 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -4.326 -5.253 -15.647 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -6.756 -6.506 -15.282 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -5.392 -4.944 -16.471 1.00 0.00 C ATOM 1229 CZ PHE A 82 -6.609 -5.570 -16.287 1.00 0.00 C ATOM 0 H PHE A 82 -3.301 -3.953 -12.494 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.195 -6.674 -11.794 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.394 -6.085 -14.158 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.158 -7.604 -13.733 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.809 -7.542 -13.676 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.377 -4.759 -15.794 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.706 -6.999 -15.138 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.273 -4.214 -17.258 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.444 -5.328 -16.928 1.00 0.00 H new ATOM 1239 N MET A 83 -1.676 -7.335 -11.329 1.00 0.00 N ATOM 1240 CA MET A 83 -0.415 -7.549 -10.630 1.00 0.00 C ATOM 1241 C MET A 83 0.668 -6.617 -11.164 1.00 0.00 C ATOM 1242 O MET A 83 0.993 -6.643 -12.351 1.00 0.00 O ATOM 1243 CB MET A 83 0.032 -9.005 -10.773 1.00 0.00 C ATOM 1244 CG MET A 83 1.261 -9.348 -9.947 1.00 0.00 C ATOM 1245 SD MET A 83 2.232 -10.685 -10.669 1.00 0.00 S ATOM 1246 CE MET A 83 3.524 -10.866 -9.441 1.00 0.00 C ATOM 0 H MET A 83 -2.150 -8.191 -11.616 1.00 0.00 H new ATOM 0 HA MET A 83 -0.572 -7.327 -9.574 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.788 -9.659 -10.477 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.241 -9.211 -11.823 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.887 -8.461 -9.849 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.951 -9.632 -8.941 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.493 -10.915 -9.937 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.505 -10.012 -8.764 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.361 -11.782 -8.873 1.00 0.00 H new ATOM 1256 N GLY A 84 1.224 -5.794 -10.280 1.00 0.00 N ATOM 1257 CA GLY A 84 2.264 -4.866 -10.683 1.00 0.00 C ATOM 1258 C GLY A 84 1.817 -3.420 -10.595 1.00 0.00 C ATOM 1259 O GLY A 84 2.631 -2.524 -10.378 1.00 0.00 O ATOM 0 H GLY A 84 0.973 -5.754 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.141 -5.011 -10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.568 -5.088 -11.706 1.00 0.00 H new ATOM 1263 N ASN A 85 0.519 -3.193 -10.766 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.036 -1.845 -10.707 1.00 0.00 C ATOM 1265 C ASN A 85 0.085 -1.268 -9.300 1.00 0.00 C ATOM 1266 O ASN A 85 0.271 -2.003 -8.330 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.502 -1.855 -11.142 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.662 -1.677 -12.640 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -1.904 -2.640 -13.368 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -1.528 -0.441 -13.106 1.00 0.00 N ATOM 0 H ASN A 85 -0.168 -3.925 -10.947 1.00 0.00 H new ATOM 0 HA ASN A 85 0.534 -1.214 -11.389 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.961 -2.796 -10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.037 -1.058 -10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.626 -0.259 -14.105 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.327 0.327 -12.465 1.00 0.00 H new ATOM 1277 N SER A 86 -0.022 0.053 -9.197 1.00 0.00 N ATOM 1278 CA SER A 86 0.079 0.729 -7.909 1.00 0.00 C ATOM 1279 C SER A 86 -1.091 1.687 -7.706 1.00 0.00 C ATOM 1280 O SER A 86 -1.763 2.076 -8.662 1.00 0.00 O ATOM 1281 CB SER A 86 1.401 1.493 -7.812 1.00 0.00 C ATOM 1282 OG SER A 86 1.506 2.462 -8.840 1.00 0.00 O ATOM 0 H SER A 86 -0.178 0.676 -9.989 1.00 0.00 H new ATOM 0 HA SER A 86 0.047 -0.028 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.473 1.980 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.235 0.794 -7.880 1.00 0.00 H new ATOM 0 HG SER A 86 2.447 2.709 -8.962 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.329 2.064 -6.454 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.418 2.976 -6.124 1.00 0.00 C ATOM 1290 C PHE A 87 -2.320 3.437 -4.672 1.00 0.00 C ATOM 1291 O PHE A 87 -1.794 2.725 -3.818 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.769 2.299 -6.366 1.00 0.00 C ATOM 1293 CG PHE A 87 -4.026 1.131 -5.456 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.465 1.331 -4.157 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.829 -0.166 -5.901 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.701 0.258 -3.319 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.064 -1.243 -5.067 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.501 -1.030 -3.774 1.00 0.00 C ATOM 0 H PHE A 87 -0.782 1.752 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.336 3.850 -6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.563 3.034 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.817 1.960 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.624 2.336 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.488 -0.338 -6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.042 0.427 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.906 -2.249 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.686 -1.870 -3.120 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.831 4.634 -4.402 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.791 5.171 -3.055 1.00 0.00 C ATOM 1310 C GLY A 88 -2.379 6.630 -3.024 1.00 0.00 C ATOM 1311 O GLY A 88 -3.174 7.512 -3.350 1.00 0.00 O ATOM 0 H GLY A 88 -3.272 5.242 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.774 5.064 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.093 4.587 -2.455 1.00 0.00 H new ATOM 1315 N ILE A 89 -1.136 6.884 -2.630 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.622 8.246 -2.557 1.00 0.00 C ATOM 1317 C ILE A 89 0.475 8.475 -3.591 1.00 0.00 C ATOM 1318 O ILE A 89 0.807 7.581 -4.370 1.00 0.00 O ATOM 1319 CB ILE A 89 -0.066 8.564 -1.156 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.136 7.670 -0.845 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.151 8.387 -0.104 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.128 8.301 0.106 1.00 0.00 C ATOM 0 H ILE A 89 -0.466 6.165 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.460 8.911 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 89 0.264 9.603 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.780 6.733 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.645 7.422 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.744 8.615 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.980 9.062 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.508 7.357 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.954 7.611 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.512 9.224 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.634 8.524 1.052 1.00 0.00 H new ATOM 1334 N THR A 90 1.038 9.680 -3.591 1.00 0.00 N ATOM 1335 CA THR A 90 2.099 10.027 -4.528 1.00 0.00 C ATOM 1336 C THR A 90 3.441 10.153 -3.817 1.00 0.00 C ATOM 1337 O THR A 90 3.513 10.322 -2.600 1.00 0.00 O ATOM 1338 CB THR A 90 1.793 11.348 -5.259 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.005 12.201 -4.420 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.052 11.086 -6.562 1.00 0.00 C ATOM 0 H THR A 90 0.777 10.431 -2.953 1.00 0.00 H new ATOM 0 HA THR A 90 2.152 9.219 -5.258 1.00 0.00 H new ATOM 0 HB THR A 90 2.739 11.838 -5.489 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.523 13.000 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.847 12.033 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.666 10.460 -7.210 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.112 10.576 -6.350 1.00 0.00 H new ATOM 1348 N PRO A 91 4.533 10.069 -4.592 1.00 0.00 N ATOM 1349 CA PRO A 91 5.894 10.172 -4.057 1.00 0.00 C ATOM 1350 C PRO A 91 6.223 11.582 -3.578 1.00 0.00 C ATOM 1351 O PRO A 91 7.340 11.854 -3.136 1.00 0.00 O ATOM 1352 CB PRO A 91 6.774 9.794 -5.251 1.00 0.00 C ATOM 1353 CG PRO A 91 5.950 10.122 -6.448 1.00 0.00 C ATOM 1354 CD PRO A 91 4.522 9.867 -6.051 1.00 0.00 C ATOM 0 HA PRO A 91 6.039 9.534 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.708 10.355 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.038 8.737 -5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.092 11.160 -6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.235 9.503 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.838 10.555 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.206 8.858 -6.315 1.00 0.00 H new ATOM 1362 N THR A 92 5.243 12.476 -3.667 1.00 0.00 N ATOM 1363 CA THR A 92 5.429 13.858 -3.243 1.00 0.00 C ATOM 1364 C THR A 92 4.901 14.075 -1.829 1.00 0.00 C ATOM 1365 O THR A 92 3.947 13.422 -1.405 1.00 0.00 O ATOM 1366 CB THR A 92 4.724 14.838 -4.198 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.316 14.577 -4.217 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.285 14.720 -5.607 1.00 0.00 C ATOM 0 H THR A 92 4.312 12.267 -4.029 1.00 0.00 H new ATOM 0 HA THR A 92 6.501 14.053 -3.261 1.00 0.00 H new ATOM 0 HB THR A 92 4.901 15.851 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.875 15.206 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.771 15.422 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.351 14.948 -5.595 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.136 13.705 -5.974 1.00 0.00 H new ATOM 1376 N LEU A 93 5.526 14.996 -1.105 1.00 0.00 N ATOM 1377 CA LEU A 93 5.118 15.301 0.263 1.00 0.00 C ATOM 1378 C LEU A 93 3.661 15.750 0.309 1.00 0.00 C ATOM 1379 O LEU A 93 3.024 15.717 1.362 1.00 0.00 O ATOM 1380 CB LEU A 93 6.018 16.387 0.854 1.00 0.00 C ATOM 1381 CG LEU A 93 7.373 15.919 1.387 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.134 17.082 2.005 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.190 14.800 2.402 1.00 0.00 C ATOM 0 H LEU A 93 6.317 15.545 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 93 5.218 14.393 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.193 17.143 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.479 16.875 1.666 1.00 0.00 H new ATOM 0 HG LEU A 93 7.956 15.532 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.096 16.730 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.298 17.852 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.555 17.499 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.165 14.480 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.587 15.160 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.687 13.957 1.928 1.00 0.00 H new ATOM 1395 N ASP A 94 3.140 16.169 -0.839 1.00 0.00 N ATOM 1396 CA ASP A 94 1.757 16.622 -0.931 1.00 0.00 C ATOM 1397 C ASP A 94 0.793 15.509 -0.533 1.00 0.00 C ATOM 1398 O ASP A 94 1.080 14.327 -0.723 1.00 0.00 O ATOM 1399 CB ASP A 94 1.447 17.099 -2.351 1.00 0.00 C ATOM 1400 CG ASP A 94 1.756 18.570 -2.548 1.00 0.00 C ATOM 1401 OD1 ASP A 94 1.299 19.388 -1.722 1.00 0.00 O ATOM 1402 OD2 ASP A 94 2.456 18.903 -3.527 1.00 0.00 O ATOM 0 H ASP A 94 3.655 16.204 -1.719 1.00 0.00 H new ATOM 0 HA ASP A 94 1.627 17.455 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.026 16.511 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.394 16.919 -2.570 1.00 0.00 H new ATOM 1407 N LYS A 95 -0.351 15.894 0.022 1.00 0.00 N ATOM 1408 CA LYS A 95 -1.359 14.930 0.447 1.00 0.00 C ATOM 1409 C LYS A 95 -2.427 14.750 -0.627 1.00 0.00 C ATOM 1410 O LYS A 95 -2.492 15.520 -1.584 1.00 0.00 O ATOM 1411 CB LYS A 95 -2.009 15.384 1.756 1.00 0.00 C ATOM 1412 CG LYS A 95 -1.069 15.341 2.949 1.00 0.00 C ATOM 1413 CD LYS A 95 -1.380 16.446 3.944 1.00 0.00 C ATOM 1414 CE LYS A 95 -2.667 16.166 4.705 1.00 0.00 C ATOM 1415 NZ LYS A 95 -3.872 16.520 3.905 1.00 0.00 N ATOM 0 H LYS A 95 -0.604 16.868 0.188 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.864 13.972 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.381 16.401 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.873 14.752 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.150 14.372 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.039 15.439 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.554 16.546 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.467 17.397 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.707 15.111 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.669 16.733 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.624 16.856 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.630 17.271 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.204 15.681 3.388 1.00 0.00 H new ATOM 1429 N GLN A 96 -3.262 13.729 -0.460 1.00 0.00 N ATOM 1430 CA GLN A 96 -4.327 13.449 -1.415 1.00 0.00 C ATOM 1431 C GLN A 96 -5.494 12.739 -0.737 1.00 0.00 C ATOM 1432 O GLN A 96 -5.346 12.180 0.350 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.795 12.596 -2.568 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.852 11.490 -2.122 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.539 12.025 -1.584 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -1.280 11.973 -0.382 1.00 0.00 O ATOM 1437 NE2 GLN A 96 -0.702 12.543 -2.475 1.00 0.00 N ATOM 0 H GLN A 96 -3.221 13.082 0.328 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.685 14.399 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.637 12.152 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.276 13.241 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.339 10.891 -1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.652 10.827 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.958 12.566 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.197 12.918 -2.172 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.653 12.766 -1.385 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.846 12.127 -0.843 1.00 0.00 C ATOM 1448 C TYR A 97 -8.438 11.139 -1.844 1.00 0.00 C ATOM 1449 O TYR A 97 -8.564 11.441 -3.030 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.891 13.181 -0.473 1.00 0.00 C ATOM 1451 CG TYR A 97 -8.323 14.353 0.296 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -7.643 14.161 1.492 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -8.465 15.653 -0.175 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -7.123 15.229 2.198 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -7.947 16.726 0.523 1.00 0.00 C ATOM 1456 CZ TYR A 97 -7.278 16.509 1.709 1.00 0.00 C ATOM 1457 OH TYR A 97 -6.760 17.575 2.408 1.00 0.00 O ATOM 0 H TYR A 97 -6.792 13.223 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.557 11.579 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.362 13.549 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.674 12.711 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.519 13.160 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.990 15.827 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.598 15.062 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.065 17.730 0.142 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.954 18.407 1.928 1.00 0.00 H new ATOM 1467 N MET A 98 -8.799 9.957 -1.355 1.00 0.00 N ATOM 1468 CA MET A 98 -9.379 8.924 -2.206 1.00 0.00 C ATOM 1469 C MET A 98 -10.687 9.402 -2.827 1.00 0.00 C ATOM 1470 O MET A 98 -11.521 10.008 -2.153 1.00 0.00 O ATOM 1471 CB MET A 98 -9.620 7.646 -1.400 1.00 0.00 C ATOM 1472 CG MET A 98 -9.725 6.396 -2.259 1.00 0.00 C ATOM 1473 SD MET A 98 -8.167 5.975 -3.064 1.00 0.00 S ATOM 1474 CE MET A 98 -8.732 4.818 -4.309 1.00 0.00 C ATOM 0 H MET A 98 -8.700 9.691 -0.375 1.00 0.00 H new ATOM 0 HA MET A 98 -8.673 8.711 -3.009 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.807 7.518 -0.685 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.538 7.758 -0.822 1.00 0.00 H new ATOM 0 HG2 MET A 98 -10.047 5.559 -1.639 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.493 6.545 -3.018 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.988 4.033 -4.440 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.676 4.374 -3.992 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.877 5.342 -5.254 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.860 9.127 -4.116 1.00 0.00 N ATOM 1485 CA HIS A 99 -12.068 9.530 -4.828 1.00 0.00 C ATOM 1486 C HIS A 99 -12.851 8.310 -5.303 1.00 0.00 C ATOM 1487 O HIS A 99 -13.463 8.329 -6.370 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.711 10.417 -6.021 1.00 0.00 C ATOM 1489 CG HIS A 99 -10.877 11.606 -5.655 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -9.557 11.709 -5.374 1.00 0.00 N flip ATOM 1491 CD2 HIS A 99 -11.392 12.880 -5.542 1.00 0.00 C flip ATOM 1492 CE1 HIS A 99 -9.301 13.031 -5.100 1.00 0.00 C flip ATOM 1493 NE2 HIS A 99 -10.425 13.716 -5.209 1.00 0.00 N flip ATOM 0 H HIS A 99 -10.180 8.627 -4.689 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.694 10.096 -4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.175 9.821 -6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.630 10.760 -6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.425 13.152 -5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.338 13.443 -4.838 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.529 14.720 -5.061 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.826 7.248 -4.502 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.536 6.034 -4.858 1.00 0.00 C ATOM 1504 C GLY A 100 -13.397 4.951 -3.806 1.00 0.00 C ATOM 1505 O GLY A 100 -12.953 5.216 -2.689 1.00 0.00 O ATOM 0 H GLY A 100 -12.327 7.208 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.592 6.263 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.158 5.662 -5.810 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.778 3.729 -4.163 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.693 2.603 -3.241 1.00 0.00 C ATOM 1511 C ILE A 101 -12.919 1.444 -3.859 1.00 0.00 C ATOM 1512 O ILE A 101 -13.282 0.937 -4.921 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.092 2.109 -2.826 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.796 3.164 -1.971 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -14.986 0.792 -2.072 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.305 3.081 -2.030 1.00 0.00 C ATOM 0 H ILE A 101 -14.148 3.494 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.165 2.958 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.685 1.943 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.474 3.054 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.482 4.155 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -15.982 0.456 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.520 0.043 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.379 0.933 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.737 3.859 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.637 3.221 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.630 2.103 -1.674 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.852 1.026 -3.186 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.028 -0.076 -3.667 1.00 0.00 C ATOM 1530 C VAL A 102 -11.483 -1.403 -3.071 1.00 0.00 C ATOM 1531 O VAL A 102 -11.741 -1.501 -1.871 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.542 0.144 -3.326 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.673 -0.880 -4.041 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.117 1.560 -3.687 1.00 0.00 C ATOM 0 H VAL A 102 -11.538 1.434 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.144 -0.108 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.410 0.011 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.627 -0.709 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.962 -1.884 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.807 -0.782 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.065 1.698 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.263 1.723 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.719 2.275 -3.126 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.579 -2.423 -3.917 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.005 -3.746 -3.474 1.00 0.00 C ATOM 1546 C ARG A 103 -11.355 -4.837 -4.320 1.00 0.00 C ATOM 1547 O ARG A 103 -11.352 -4.767 -5.550 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.528 -3.867 -3.549 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.260 -2.940 -2.592 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.593 -3.528 -2.158 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.569 -2.490 -1.834 1.00 0.00 N ATOM 1552 CZ ARG A 103 -17.228 -1.789 -2.751 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -17.016 -2.013 -4.040 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.100 -0.862 -2.377 1.00 0.00 N ATOM 0 H ARG A 103 -11.368 -2.359 -4.913 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.688 -3.875 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.851 -3.653 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.813 -4.897 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.639 -2.757 -1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.426 -1.976 -3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -15.987 -4.160 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -15.441 -4.167 -1.288 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.755 -2.293 -0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -16.346 -2.725 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -17.523 -1.474 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.265 -0.687 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -18.606 -0.324 -3.081 1.00 0.00 H new ATOM 1568 N THR A 104 -10.804 -5.847 -3.653 1.00 0.00 N ATOM 1569 CA THR A 104 -10.150 -6.952 -4.342 1.00 0.00 C ATOM 1570 C THR A 104 -11.140 -7.723 -5.208 1.00 0.00 C ATOM 1571 O THR A 104 -12.352 -7.646 -5.003 1.00 0.00 O ATOM 1572 CB THR A 104 -9.492 -7.925 -3.346 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.477 -8.448 -2.448 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.396 -7.228 -2.553 1.00 0.00 C ATOM 0 H THR A 104 -10.798 -5.922 -2.636 1.00 0.00 H new ATOM 0 HA THR A 104 -9.378 -6.516 -4.976 1.00 0.00 H new ATOM 0 HB THR A 104 -9.046 -8.743 -3.912 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.032 -8.883 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.946 -7.935 -1.856 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.633 -6.856 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.824 -6.393 -1.998 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.617 -8.467 -6.177 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.455 -9.255 -7.074 1.00 0.00 C ATOM 1584 C LYS A 105 -11.304 -10.746 -6.790 1.00 0.00 C ATOM 1585 O LYS A 105 -12.177 -11.544 -7.130 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.091 -8.963 -8.531 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.735 -7.700 -9.078 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.223 -7.893 -9.320 1.00 0.00 C ATOM 1589 CE LYS A 105 -13.492 -8.484 -10.696 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.835 -8.100 -11.211 1.00 0.00 N ATOM 0 H LYS A 105 -9.617 -8.541 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.494 -8.974 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.008 -8.874 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.390 -9.810 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.583 -6.880 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.247 -7.416 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.635 -8.550 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.735 -6.935 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.725 -8.145 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.419 -9.570 -10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.915 -8.376 -12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.570 -8.584 -10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.959 -7.071 -11.125 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.191 -11.115 -6.163 1.00 0.00 N ATOM 1605 CA VAL A 106 -9.928 -12.510 -5.831 1.00 0.00 C ATOM 1606 C VAL A 106 -9.362 -12.642 -4.421 1.00 0.00 C ATOM 1607 O VAL A 106 -9.142 -11.644 -3.734 1.00 0.00 O ATOM 1608 CB VAL A 106 -8.943 -13.148 -6.829 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.410 -12.921 -8.258 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.542 -12.594 -6.622 1.00 0.00 C ATOM 0 H VAL A 106 -9.458 -10.467 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 106 -10.882 -13.034 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.914 -14.223 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.702 -13.378 -8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.393 -13.371 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.470 -11.851 -8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.859 -13.056 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.551 -11.515 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.210 -12.814 -5.607 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.129 -13.879 -3.997 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.587 -14.142 -2.668 1.00 0.00 C ATOM 1622 C ASP A 107 -7.067 -14.252 -2.714 1.00 0.00 C ATOM 1623 O ASP A 107 -6.463 -14.205 -3.786 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.187 -15.427 -2.095 1.00 0.00 C ATOM 1625 CG ASP A 107 -10.673 -15.547 -2.374 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -11.065 -15.433 -3.554 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -11.442 -15.754 -1.412 1.00 0.00 O ATOM 0 H ASP A 107 -9.307 -14.715 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.853 -13.306 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.670 -16.287 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.019 -15.454 -1.018 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.454 -14.398 -1.544 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.003 -14.514 -1.450 1.00 0.00 C ATOM 1634 C ASP A 108 -4.318 -13.338 -2.138 1.00 0.00 C ATOM 1635 O ASP A 108 -3.317 -13.511 -2.836 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.535 -15.830 -2.074 1.00 0.00 C ATOM 1637 CG ASP A 108 -5.010 -17.041 -1.296 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -4.316 -17.439 -0.337 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -6.074 -17.592 -1.647 1.00 0.00 O ATOM 0 H ASP A 108 -6.939 -14.439 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.729 -14.503 -0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.902 -15.893 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.446 -15.838 -2.124 1.00 0.00 H new ATOM 1644 N CYS A 109 -4.862 -12.143 -1.939 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.304 -10.938 -2.542 1.00 0.00 C ATOM 1646 C CYS A 109 -3.226 -10.332 -1.648 1.00 0.00 C ATOM 1647 O CYS A 109 -3.449 -10.102 -0.460 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.409 -9.912 -2.796 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.269 -10.127 -4.372 1.00 0.00 S ATOM 0 H CYS A 109 -5.689 -11.982 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.849 -11.214 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.137 -9.970 -1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.976 -8.912 -2.764 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.406 -10.723 -4.168 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.058 -10.079 -2.229 1.00 0.00 N ATOM 1656 CA GLN A 110 -0.945 -9.503 -1.484 1.00 0.00 C ATOM 1657 C GLN A 110 -0.836 -8.003 -1.742 1.00 0.00 C ATOM 1658 O GLN A 110 -1.108 -7.531 -2.846 1.00 0.00 O ATOM 1659 CB GLN A 110 0.365 -10.195 -1.867 1.00 0.00 C ATOM 1660 CG GLN A 110 0.619 -11.482 -1.100 1.00 0.00 C ATOM 1661 CD GLN A 110 1.487 -12.458 -1.869 1.00 0.00 C ATOM 1662 OE1 GLN A 110 1.820 -12.228 -3.032 1.00 0.00 O ATOM 1663 NE2 GLN A 110 1.861 -13.556 -1.222 1.00 0.00 N ATOM 0 H GLN A 110 -1.858 -10.264 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.132 -9.658 -0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.352 -10.414 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.193 -9.508 -1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.098 -11.246 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.335 -11.956 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.562 -13.707 -0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.447 -14.248 -1.689 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.435 -7.259 -0.716 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.291 -5.813 -0.832 1.00 0.00 C ATOM 1674 C PHE A 111 0.854 -5.309 0.041 1.00 0.00 C ATOM 1675 O PHE A 111 1.386 -6.044 0.874 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.594 -5.116 -0.435 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.772 -5.526 -1.271 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.862 -5.144 -2.600 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.790 -6.294 -0.729 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -3.945 -5.519 -3.372 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.876 -6.673 -1.496 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.953 -6.286 -2.820 1.00 0.00 C ATOM 0 H PHE A 111 -0.204 -7.634 0.204 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.063 -5.578 -1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.808 -5.333 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.459 -4.037 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.076 -4.546 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.734 -6.600 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.003 -5.213 -4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.663 -7.271 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.799 -6.582 -3.422 1.00 0.00 H new ATOM 1692 N VAL A 112 1.231 -4.049 -0.156 1.00 0.00 N ATOM 1693 CA VAL A 112 2.313 -3.446 0.613 1.00 0.00 C ATOM 1694 C VAL A 112 1.992 -1.999 0.970 1.00 0.00 C ATOM 1695 O VAL A 112 1.444 -1.255 0.157 1.00 0.00 O ATOM 1696 CB VAL A 112 3.644 -3.489 -0.162 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.441 -3.027 -1.597 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.694 -2.640 0.537 1.00 0.00 C ATOM 0 H VAL A 112 0.803 -3.427 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 112 2.415 -4.029 1.528 1.00 0.00 H new ATOM 0 HB VAL A 112 3.999 -4.519 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.392 -3.064 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.723 -3.681 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.063 -2.005 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.628 -2.682 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.349 -1.607 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.859 -3.022 1.545 1.00 0.00 H new ATOM 1708 N CYS A 113 2.339 -1.606 2.191 1.00 0.00 N ATOM 1709 CA CYS A 113 2.088 -0.247 2.657 1.00 0.00 C ATOM 1710 C CYS A 113 3.398 0.493 2.907 1.00 0.00 C ATOM 1711 O CYS A 113 4.242 0.038 3.680 1.00 0.00 O ATOM 1712 CB CYS A 113 1.250 -0.271 3.937 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.533 -0.360 3.650 1.00 0.00 S ATOM 0 H CYS A 113 2.795 -2.209 2.876 1.00 0.00 H new ATOM 0 HA CYS A 113 1.536 0.281 1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.553 -1.126 4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.469 0.624 4.519 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.818 0.199 2.511 1.00 0.00 H new ATOM 1719 N ILE A 114 3.562 1.634 2.246 1.00 0.00 N ATOM 1720 CA ILE A 114 4.769 2.436 2.395 1.00 0.00 C ATOM 1721 C ILE A 114 4.438 3.842 2.884 1.00 0.00 C ATOM 1722 O ILE A 114 3.562 4.510 2.335 1.00 0.00 O ATOM 1723 CB ILE A 114 5.548 2.535 1.070 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.221 1.199 0.748 1.00 0.00 C ATOM 1725 CG2 ILE A 114 6.579 3.651 1.144 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.391 0.950 -0.734 1.00 0.00 C ATOM 0 H ILE A 114 2.874 2.024 1.602 1.00 0.00 H new ATOM 0 HA ILE A 114 5.392 1.933 3.135 1.00 0.00 H new ATOM 0 HB ILE A 114 4.846 2.769 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.199 1.169 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.630 0.391 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.121 3.708 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.076 4.599 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.280 3.446 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.875 -0.015 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.414 0.947 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.007 1.738 -1.167 1.00 0.00 H new ATOM 1738 N ALA A 115 5.146 4.286 3.917 1.00 0.00 N ATOM 1739 CA ALA A 115 4.930 5.615 4.477 1.00 0.00 C ATOM 1740 C ALA A 115 5.290 6.700 3.468 1.00 0.00 C ATOM 1741 O ALA A 115 6.308 6.611 2.783 1.00 0.00 O ATOM 1742 CB ALA A 115 5.741 5.788 5.753 1.00 0.00 C ATOM 0 H ALA A 115 5.874 3.745 4.383 1.00 0.00 H new ATOM 0 HA ALA A 115 3.871 5.714 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.570 6.785 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.434 5.040 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.801 5.664 5.530 1.00 0.00 H new ATOM 1748 N GLN A 116 4.446 7.724 3.382 1.00 0.00 N ATOM 1749 CA GLN A 116 4.676 8.826 2.455 1.00 0.00 C ATOM 1750 C GLN A 116 6.096 9.365 2.591 1.00 0.00 C ATOM 1751 O GLN A 116 6.877 9.328 1.641 1.00 0.00 O ATOM 1752 CB GLN A 116 3.666 9.948 2.703 1.00 0.00 C ATOM 1753 CG GLN A 116 3.915 11.188 1.861 1.00 0.00 C ATOM 1754 CD GLN A 116 2.641 11.952 1.556 1.00 0.00 C ATOM 1755 OE1 GLN A 116 1.664 11.383 1.067 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.644 13.248 1.844 1.00 0.00 N ATOM 0 H GLN A 116 3.598 7.813 3.942 1.00 0.00 H new ATOM 0 HA GLN A 116 4.547 8.447 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.663 9.575 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.693 10.223 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.611 11.844 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.393 10.897 0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.476 13.679 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.815 13.813 1.661 1.00 0.00 H new ATOM 1765 N GLN A 117 6.422 9.866 3.778 1.00 0.00 N ATOM 1766 CA GLN A 117 7.748 10.414 4.037 1.00 0.00 C ATOM 1767 C GLN A 117 8.833 9.506 3.467 1.00 0.00 C ATOM 1768 O GLN A 117 9.718 9.960 2.741 1.00 0.00 O ATOM 1769 CB GLN A 117 7.962 10.601 5.540 1.00 0.00 C ATOM 1770 CG GLN A 117 7.040 11.639 6.161 1.00 0.00 C ATOM 1771 CD GLN A 117 6.870 12.866 5.286 1.00 0.00 C ATOM 1772 OE1 GLN A 117 6.004 12.904 4.412 1.00 0.00 O ATOM 1773 NE2 GLN A 117 7.698 13.878 5.517 1.00 0.00 N ATOM 0 H GLN A 117 5.787 9.904 4.575 1.00 0.00 H new ATOM 0 HA GLN A 117 7.815 11.384 3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.810 9.645 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.997 10.893 5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.064 11.190 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.439 11.940 7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.401 13.804 6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.631 14.730 4.960 1.00 0.00 H new ATOM 1782 N ASP A 118 8.759 8.222 3.801 1.00 0.00 N ATOM 1783 CA ASP A 118 9.734 7.250 3.321 1.00 0.00 C ATOM 1784 C ASP A 118 9.626 7.072 1.810 1.00 0.00 C ATOM 1785 O ASP A 118 10.585 6.666 1.153 1.00 0.00 O ATOM 1786 CB ASP A 118 9.533 5.906 4.022 1.00 0.00 C ATOM 1787 CG ASP A 118 9.631 6.018 5.531 1.00 0.00 C ATOM 1788 OD1 ASP A 118 10.424 6.853 6.013 1.00 0.00 O ATOM 1789 OD2 ASP A 118 8.913 5.272 6.229 1.00 0.00 O ATOM 0 H ASP A 118 8.034 7.830 4.402 1.00 0.00 H new ATOM 0 HA ASP A 118 10.730 7.626 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.557 5.502 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.280 5.198 3.664 1.00 0.00 H new ATOM 1794 N TYR A 119 8.453 7.376 1.266 1.00 0.00 N ATOM 1795 CA TYR A 119 8.219 7.245 -0.167 1.00 0.00 C ATOM 1796 C TYR A 119 8.697 8.488 -0.912 1.00 0.00 C ATOM 1797 O TYR A 119 8.822 8.481 -2.137 1.00 0.00 O ATOM 1798 CB TYR A 119 6.732 7.012 -0.442 1.00 0.00 C ATOM 1799 CG TYR A 119 6.433 6.647 -1.879 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.237 5.750 -2.570 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.346 7.200 -2.545 1.00 0.00 C ATOM 1802 CE1 TYR A 119 6.968 5.414 -3.883 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.068 6.869 -3.857 1.00 0.00 C ATOM 1804 CZ TYR A 119 5.882 5.976 -4.522 1.00 0.00 C ATOM 1805 OH TYR A 119 5.610 5.644 -5.829 1.00 0.00 O ATOM 0 H TYR A 119 7.650 7.715 1.796 1.00 0.00 H new ATOM 0 HA TYR A 119 8.787 6.387 -0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.371 6.216 0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.177 7.913 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.087 5.307 -2.073 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.707 7.901 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.604 4.715 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.218 7.307 -4.359 1.00 0.00 H new ATOM 0 HH TYR A 119 5.368 4.696 -5.882 1.00 0.00 H new ATOM 1815 N TRP A 120 8.963 9.552 -0.164 1.00 0.00 N ATOM 1816 CA TRP A 120 9.429 10.803 -0.753 1.00 0.00 C ATOM 1817 C TRP A 120 10.885 11.068 -0.386 1.00 0.00 C ATOM 1818 O TRP A 120 11.460 12.081 -0.785 1.00 0.00 O ATOM 1819 CB TRP A 120 8.552 11.967 -0.287 1.00 0.00 C ATOM 1820 CG TRP A 120 9.184 13.309 -0.502 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.205 14.029 -1.662 1.00 0.00 C ATOM 1822 CD2 TRP A 120 9.888 14.090 0.471 1.00 0.00 C ATOM 1823 NE1 TRP A 120 9.879 15.210 -1.470 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.307 15.272 -0.170 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.202 13.906 1.820 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.025 16.263 0.494 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 10.915 14.890 2.477 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.319 16.057 1.815 1.00 0.00 C ATOM 0 H TRP A 120 8.864 9.574 0.851 1.00 0.00 H new ATOM 0 HA TRP A 120 9.358 10.715 -1.837 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.601 11.932 -0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.330 11.844 0.773 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.757 13.716 -2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.036 15.925 -2.180 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.893 13.011 2.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.339 17.162 -0.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.165 14.757 3.519 1.00 0.00 H new ATOM 0 HH2 TRP A 120 11.873 16.809 2.358 1.00 0.00 H new ATOM 1839 N ARG A 121 11.475 10.153 0.375 1.00 0.00 N ATOM 1840 CA ARG A 121 12.864 10.290 0.795 1.00 0.00 C ATOM 1841 C ARG A 121 13.765 9.337 0.015 1.00 0.00 C ATOM 1842 O ARG A 121 14.991 9.450 0.059 1.00 0.00 O ATOM 1843 CB ARG A 121 12.995 10.018 2.295 1.00 0.00 C ATOM 1844 CG ARG A 121 12.786 11.252 3.158 1.00 0.00 C ATOM 1845 CD ARG A 121 13.540 11.145 4.474 1.00 0.00 C ATOM 1846 NE ARG A 121 13.044 10.048 5.301 1.00 0.00 N ATOM 1847 CZ ARG A 121 13.702 9.560 6.347 1.00 0.00 C ATOM 1848 NH1 ARG A 121 14.876 10.071 6.693 1.00 0.00 N ATOM 1849 NH2 ARG A 121 13.185 8.561 7.051 1.00 0.00 N ATOM 0 H ARG A 121 11.013 9.309 0.713 1.00 0.00 H new ATOM 0 HA ARG A 121 13.180 11.313 0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.270 9.257 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 121 13.984 9.608 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 121 13.120 12.137 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.722 11.383 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 121 14.601 10.996 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 121 13.448 12.083 5.022 1.00 0.00 H new ATOM 0 HE ARG A 121 12.143 9.634 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 121 15.276 10.840 6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 121 15.379 9.695 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 121 12.281 8.167 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 121 13.691 8.187 7.854 1.00 0.00 H new ATOM 1863 N ILE A 122 13.150 8.400 -0.698 1.00 0.00 N ATOM 1864 CA ILE A 122 13.896 7.428 -1.488 1.00 0.00 C ATOM 1865 C ILE A 122 13.906 7.812 -2.964 1.00 0.00 C ATOM 1866 O ILE A 122 14.966 7.914 -3.583 1.00 0.00 O ATOM 1867 CB ILE A 122 13.308 6.013 -1.342 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.365 5.562 0.119 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.056 5.033 -2.234 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.617 4.274 0.384 1.00 0.00 C ATOM 0 H ILE A 122 12.137 8.293 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 122 14.917 7.429 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 122 12.264 6.035 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.407 5.434 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 122 12.952 6.349 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.628 4.037 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 122 13.969 5.348 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.108 5.011 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.700 4.015 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.566 4.403 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.045 3.474 -0.220 1.00 0.00 H new ATOM 1882 N LEU A 123 12.720 8.025 -3.522 1.00 0.00 N ATOM 1883 CA LEU A 123 12.591 8.400 -4.926 1.00 0.00 C ATOM 1884 C LEU A 123 13.192 9.780 -5.179 1.00 0.00 C ATOM 1885 O LEU A 123 14.106 9.931 -5.988 1.00 0.00 O ATOM 1886 CB LEU A 123 11.120 8.387 -5.345 1.00 0.00 C ATOM 1887 CG LEU A 123 10.499 7.009 -5.573 1.00 0.00 C ATOM 1888 CD1 LEU A 123 9.893 6.477 -4.284 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.449 7.071 -6.673 1.00 0.00 C ATOM 0 H LEU A 123 11.833 7.945 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 123 13.139 7.671 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.540 8.902 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.020 8.965 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 123 11.287 6.325 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.456 5.495 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.670 6.393 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.118 7.161 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.018 6.081 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.663 7.770 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.913 7.407 -7.600 1.00 0.00 H new ATOM 1901 N ASN A 124 12.672 10.783 -4.479 1.00 0.00 N ATOM 1902 CA ASN A 124 13.158 12.150 -4.626 1.00 0.00 C ATOM 1903 C ASN A 124 14.663 12.221 -4.390 1.00 0.00 C ATOM 1904 O ASN A 124 15.321 11.197 -4.197 1.00 0.00 O ATOM 1905 CB ASN A 124 12.433 13.079 -3.649 1.00 0.00 C ATOM 1906 CG ASN A 124 10.968 13.255 -3.998 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.152 12.270 -3.639 1.00 0.00 O flip ATOM 1908 ND2 ASN A 124 10.574 14.264 -4.583 1.00 0.00 N flip ATOM 0 H ASN A 124 11.914 10.675 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 124 12.953 12.474 -5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.517 12.677 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 124 12.923 14.053 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.236 14.996 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.585 14.368 -4.811 1.00 0.00 H new ATOM 1915 N HIS A 125 15.203 13.435 -4.406 1.00 0.00 N ATOM 1916 CA HIS A 125 16.631 13.640 -4.192 1.00 0.00 C ATOM 1917 C HIS A 125 16.924 13.941 -2.725 1.00 0.00 C ATOM 1918 O HIS A 125 17.534 14.959 -2.399 1.00 0.00 O ATOM 1919 CB HIS A 125 17.141 14.783 -5.070 1.00 0.00 C ATOM 1920 CG HIS A 125 17.080 14.485 -6.537 1.00 0.00 C ATOM 1921 ND1 HIS A 125 16.546 15.358 -7.461 1.00 0.00 N ATOM 1922 CD2 HIS A 125 17.491 13.402 -7.238 1.00 0.00 C ATOM 1923 CE1 HIS A 125 16.629 14.825 -8.667 1.00 0.00 C ATOM 1924 NE2 HIS A 125 17.200 13.638 -8.559 1.00 0.00 N ATOM 0 H HIS A 125 14.673 14.292 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 125 17.149 12.721 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 125 16.553 15.678 -4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.172 15.009 -4.796 1.00 0.00 H new ATOM 0 HD2 HIS A 125 17.960 12.517 -6.834 1.00 0.00 H new ATOM 0 HE1 HIS A 125 16.288 15.281 -9.585 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.393 13.001 -9.332 1.00 0.00 H new