USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 15 SER OG : rot -90:sc= 1.2 USER MOD Set 1.2: A 64 MET CE :methyl -133:sc= -0.212 (180deg=-0.938) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.17) USER MOD Single : A 11 GLN : amide:sc= -0.979 K(o=-0.98,f=0) USER MOD Single : A 17 MET CE :methyl 172:sc= -1.23 (180deg=-1.37) USER MOD Single : A 18 MET CE :methyl 137:sc=-0.00453 (180deg=-0.164) USER MOD Single : A 28 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.2) USER MOD Single : A 30 ASN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0647 X(o=0.065,f=0) USER MOD Single : A 51 CYS SG : rot -99:sc= -0.317 USER MOD Single : A 56 THR OG1 : rot -41:sc= 0.848 USER MOD Single : A 57 SER OG : rot 180:sc=-0.00331 USER MOD Single : A 59 THR OG1 : rot -88:sc= 1.42 USER MOD Single : A 62 TYR OH : rot -41:sc= -1.49 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 73 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.17) USER MOD Single : A 76 SER OG : rot -39:sc= 0.198 USER MOD Single : A 77 SER OG : rot 129:sc= -0.475 USER MOD Single : A 81 SER OG : rot -23:sc= 0.162 USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= 0.524 (180deg=0.164) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.716 -5.405 6.321 1.00 0.00 N ATOM 93 CA TYR A 7 7.405 -4.796 6.455 1.00 0.00 C ATOM 94 C TYR A 7 6.407 -5.827 6.944 1.00 0.00 C ATOM 95 O TYR A 7 6.654 -7.029 6.850 1.00 0.00 O ATOM 96 CB TYR A 7 6.954 -4.212 5.111 1.00 0.00 C ATOM 97 CG TYR A 7 6.658 -5.259 4.072 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.677 -5.958 3.434 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.349 -5.571 3.755 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.389 -6.936 2.510 1.00 0.00 C ATOM 101 CE2 TYR A 7 5.055 -6.551 2.839 1.00 0.00 C ATOM 102 CZ TYR A 7 6.076 -7.233 2.216 1.00 0.00 C ATOM 103 OH TYR A 7 5.789 -8.241 1.326 1.00 0.00 O ATOM 0 HA TYR A 7 7.461 -3.987 7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.062 -3.605 5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.730 -3.546 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.707 -5.730 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.544 -5.035 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.189 -7.469 2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.026 -6.786 2.608 1.00 0.00 H new ATOM 0 HH TYR A 7 4.817 -8.325 1.229 1.00 0.00 H new ATOM 113 N GLN A 8 5.296 -5.353 7.474 1.00 0.00 N ATOM 114 CA GLN A 8 4.228 -6.220 7.920 1.00 0.00 C ATOM 115 C GLN A 8 2.890 -5.624 7.540 1.00 0.00 C ATOM 116 O GLN A 8 2.645 -4.432 7.736 1.00 0.00 O ATOM 117 CB GLN A 8 4.274 -6.452 9.427 1.00 0.00 C ATOM 118 CG GLN A 8 5.503 -7.214 9.892 1.00 0.00 C ATOM 119 CD GLN A 8 5.346 -7.776 11.288 1.00 0.00 C ATOM 120 OE1 GLN A 8 6.315 -7.895 12.037 1.00 0.00 O ATOM 121 NE2 GLN A 8 4.126 -8.152 11.633 1.00 0.00 N ATOM 0 H GLN A 8 5.111 -4.359 7.606 1.00 0.00 H new ATOM 0 HA GLN A 8 4.360 -7.184 7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.242 -5.488 9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.382 -7.001 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.705 -8.029 9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.368 -6.551 9.866 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.352 -8.034 10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.959 -8.560 12.553 1.00 0.00 H new ATOM 130 N ILE A 9 2.044 -6.455 6.988 1.00 0.00 N ATOM 131 CA ILE A 9 0.731 -6.030 6.537 1.00 0.00 C ATOM 132 C ILE A 9 -0.327 -6.298 7.598 1.00 0.00 C ATOM 133 O ILE A 9 -0.446 -7.412 8.106 1.00 0.00 O ATOM 134 CB ILE A 9 0.344 -6.734 5.226 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.351 -6.364 4.134 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.076 -6.368 4.817 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.988 -6.858 2.754 1.00 0.00 C ATOM 0 H ILE A 9 2.239 -7.445 6.836 1.00 0.00 H new ATOM 0 HA ILE A 9 0.780 -4.956 6.357 1.00 0.00 H new ATOM 0 HB ILE A 9 0.371 -7.813 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.452 -5.279 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.327 -6.767 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.329 -6.877 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.770 -6.675 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.146 -5.290 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.756 -6.551 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.917 -7.946 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.029 -6.435 2.457 1.00 0.00 H new ATOM 149 N GLU A 10 -1.085 -5.266 7.930 1.00 0.00 N ATOM 150 CA GLU A 10 -2.144 -5.374 8.912 1.00 0.00 C ATOM 151 C GLU A 10 -3.482 -4.960 8.301 1.00 0.00 C ATOM 152 O GLU A 10 -3.540 -4.454 7.177 1.00 0.00 O ATOM 153 CB GLU A 10 -1.811 -4.487 10.109 1.00 0.00 C ATOM 154 CG GLU A 10 -2.003 -2.999 9.853 1.00 0.00 C ATOM 155 CD GLU A 10 -1.653 -2.151 11.056 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.500 -2.026 11.964 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.523 -1.618 11.104 1.00 0.00 O ATOM 0 H GLU A 10 -0.982 -4.335 7.527 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.226 -6.410 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.436 -4.783 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.776 -4.664 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.384 -2.697 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.040 -2.813 9.572 1.00 0.00 H new ATOM 164 N GLN A 11 -4.554 -5.181 9.042 1.00 0.00 N ATOM 165 CA GLN A 11 -5.873 -4.793 8.604 1.00 0.00 C ATOM 166 C GLN A 11 -6.198 -3.384 9.049 1.00 0.00 C ATOM 167 O GLN A 11 -5.914 -2.992 10.179 1.00 0.00 O ATOM 168 CB GLN A 11 -6.915 -5.748 9.163 1.00 0.00 C ATOM 169 CG GLN A 11 -7.396 -6.761 8.155 1.00 0.00 C ATOM 170 CD GLN A 11 -8.503 -6.203 7.300 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.683 -6.439 7.539 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.118 -5.382 6.351 1.00 0.00 N ATOM 0 H GLN A 11 -4.530 -5.631 9.957 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.888 -4.831 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.495 -6.271 10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.767 -5.173 9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.564 -7.069 7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.749 -7.653 8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.124 -5.218 6.191 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.813 -4.908 5.774 1.00 0.00 H new ATOM 181 N LEU A 12 -6.800 -2.630 8.148 1.00 0.00 N ATOM 182 CA LEU A 12 -7.261 -1.292 8.467 1.00 0.00 C ATOM 183 C LEU A 12 -8.578 -1.388 9.213 1.00 0.00 C ATOM 184 O LEU A 12 -9.001 -0.451 9.883 1.00 0.00 O ATOM 185 CB LEU A 12 -7.456 -0.492 7.192 1.00 0.00 C ATOM 186 CG LEU A 12 -7.018 0.971 7.228 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.429 1.353 8.581 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.007 1.217 6.127 1.00 0.00 C ATOM 0 H LEU A 12 -6.981 -2.922 7.188 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.519 -0.791 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.911 -0.991 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.513 -0.525 6.928 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.897 1.595 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.130 2.401 8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.177 1.201 9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.558 0.731 8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.692 2.260 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.141 0.573 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.460 0.995 5.161 1.00 0.00 H new ATOM 200 N GLY A 13 -9.238 -2.530 9.061 1.00 0.00 N ATOM 201 CA GLY A 13 -10.462 -2.770 9.791 1.00 0.00 C ATOM 202 C GLY A 13 -11.416 -3.675 9.049 1.00 0.00 C ATOM 203 O GLY A 13 -11.473 -4.877 9.310 1.00 0.00 O ATOM 0 H GLY A 13 -8.946 -3.290 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.223 -3.215 10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.953 -1.818 9.992 1.00 0.00 H new ATOM 207 N ASP A 14 -12.153 -3.107 8.109 1.00 0.00 N ATOM 208 CA ASP A 14 -13.183 -3.850 7.400 1.00 0.00 C ATOM 209 C ASP A 14 -12.768 -4.167 5.972 1.00 0.00 C ATOM 210 O ASP A 14 -12.750 -5.325 5.564 1.00 0.00 O ATOM 211 CB ASP A 14 -14.491 -3.060 7.395 1.00 0.00 C ATOM 212 CG ASP A 14 -15.554 -3.701 6.525 1.00 0.00 C ATOM 213 OD1 ASP A 14 -16.073 -4.773 6.901 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.873 -3.134 5.454 1.00 0.00 O ATOM 0 H ASP A 14 -12.058 -2.134 7.819 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.327 -4.795 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.864 -2.975 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.299 -2.047 7.041 1.00 0.00 H new ATOM 219 N SER A 15 -12.419 -3.140 5.218 1.00 0.00 N ATOM 220 CA SER A 15 -12.152 -3.312 3.801 1.00 0.00 C ATOM 221 C SER A 15 -11.113 -2.314 3.318 1.00 0.00 C ATOM 222 O SER A 15 -11.238 -1.719 2.250 1.00 0.00 O ATOM 223 CB SER A 15 -13.451 -3.180 3.010 1.00 0.00 C ATOM 224 OG SER A 15 -14.240 -2.106 3.499 1.00 0.00 O ATOM 0 H SER A 15 -12.314 -2.185 5.560 1.00 0.00 H new ATOM 0 HA SER A 15 -11.745 -4.310 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.224 -3.018 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.016 -4.110 3.075 1.00 0.00 H new ATOM 0 HG SER A 15 -14.840 -2.434 4.201 1.00 0.00 H new ATOM 230 N ALA A 16 -10.097 -2.137 4.135 1.00 0.00 N ATOM 231 CA ALA A 16 -8.947 -1.328 3.789 1.00 0.00 C ATOM 232 C ALA A 16 -7.705 -1.990 4.357 1.00 0.00 C ATOM 233 O ALA A 16 -7.803 -2.787 5.297 1.00 0.00 O ATOM 234 CB ALA A 16 -9.111 0.097 4.300 1.00 0.00 C ATOM 0 H ALA A 16 -10.045 -2.553 5.065 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.852 -1.261 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.234 0.684 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.000 0.543 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.217 0.085 5.385 1.00 0.00 H new ATOM 240 N MET A 17 -6.549 -1.686 3.802 1.00 0.00 N ATOM 241 CA MET A 17 -5.324 -2.370 4.220 1.00 0.00 C ATOM 242 C MET A 17 -4.212 -1.393 4.541 1.00 0.00 C ATOM 243 O MET A 17 -3.951 -0.476 3.785 1.00 0.00 O ATOM 244 CB MET A 17 -4.867 -3.343 3.129 1.00 0.00 C ATOM 245 CG MET A 17 -3.451 -3.862 3.307 1.00 0.00 C ATOM 246 SD MET A 17 -3.078 -5.252 2.227 1.00 0.00 S ATOM 247 CE MET A 17 -3.371 -4.523 0.621 1.00 0.00 C ATOM 0 H MET A 17 -6.423 -0.984 3.073 1.00 0.00 H new ATOM 0 HA MET A 17 -5.551 -2.923 5.131 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.552 -4.191 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.940 -2.846 2.162 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.745 -3.055 3.110 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.307 -4.165 4.344 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.047 -5.214 -0.157 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.435 -4.317 0.503 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.810 -3.592 0.536 1.00 0.00 H new ATOM 257 N MET A 18 -3.548 -1.591 5.667 1.00 0.00 N ATOM 258 CA MET A 18 -2.402 -0.763 5.993 1.00 0.00 C ATOM 259 C MET A 18 -1.180 -1.635 6.240 1.00 0.00 C ATOM 260 O MET A 18 -1.256 -2.660 6.909 1.00 0.00 O ATOM 261 CB MET A 18 -2.680 0.143 7.194 1.00 0.00 C ATOM 262 CG MET A 18 -1.526 1.081 7.516 1.00 0.00 C ATOM 263 SD MET A 18 -2.032 2.531 8.459 1.00 0.00 S ATOM 264 CE MET A 18 -2.713 1.766 9.926 1.00 0.00 C ATOM 0 H MET A 18 -3.777 -2.304 6.359 1.00 0.00 H new ATOM 0 HA MET A 18 -2.204 -0.113 5.141 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.575 0.733 6.997 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.892 -0.475 8.066 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.769 0.535 8.079 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.059 1.405 6.586 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.380 2.311 10.809 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.802 1.787 9.876 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.373 0.732 9.988 1.00 0.00 H new ATOM 274 N ILE A 19 -0.060 -1.228 5.677 1.00 0.00 N ATOM 275 CA ILE A 19 1.171 -1.999 5.759 1.00 0.00 C ATOM 276 C ILE A 19 2.253 -1.183 6.439 1.00 0.00 C ATOM 277 O ILE A 19 2.562 -0.085 5.995 1.00 0.00 O ATOM 278 CB ILE A 19 1.664 -2.375 4.350 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.555 -3.059 3.562 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.882 -3.278 4.429 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.491 -2.602 2.122 1.00 0.00 C ATOM 0 H ILE A 19 0.026 -0.358 5.151 1.00 0.00 H new ATOM 0 HA ILE A 19 0.965 -2.903 6.333 1.00 0.00 H new ATOM 0 HB ILE A 19 1.947 -1.457 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.708 -4.138 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.402 -2.861 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.213 -3.531 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.684 -2.761 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.624 -4.191 4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.318 -3.123 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.308 -1.528 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.436 -2.825 1.627 1.00 0.00 H new ATOM 293 N ARG A 20 2.840 -1.696 7.498 1.00 0.00 N ATOM 294 CA ARG A 20 3.902 -0.966 8.155 1.00 0.00 C ATOM 295 C ARG A 20 5.246 -1.581 7.820 1.00 0.00 C ATOM 296 O ARG A 20 5.493 -2.757 8.072 1.00 0.00 O ATOM 297 CB ARG A 20 3.698 -0.873 9.676 1.00 0.00 C ATOM 298 CG ARG A 20 3.896 -2.171 10.441 1.00 0.00 C ATOM 299 CD ARG A 20 2.601 -2.937 10.632 1.00 0.00 C ATOM 300 NE ARG A 20 2.734 -3.922 11.687 1.00 0.00 N ATOM 301 CZ ARG A 20 1.843 -4.113 12.660 1.00 0.00 C ATOM 302 NH1 ARG A 20 0.716 -3.419 12.688 1.00 0.00 N ATOM 303 NH2 ARG A 20 2.078 -5.003 13.614 1.00 0.00 N ATOM 0 H ARG A 20 2.607 -2.597 7.916 1.00 0.00 H new ATOM 0 HA ARG A 20 3.878 0.056 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.388 -0.128 10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.689 -0.508 9.869 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.610 -2.798 9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.331 -1.951 11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.796 -2.244 10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.325 -3.431 9.700 1.00 0.00 H new ATOM 0 HE ARG A 20 3.567 -4.510 11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.523 -2.731 11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.041 -3.573 13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.943 -5.544 13.605 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.394 -5.147 14.357 1.00 0.00 H new ATOM 317 N PHE A 21 6.088 -0.787 7.190 1.00 0.00 N ATOM 318 CA PHE A 21 7.456 -1.181 6.926 1.00 0.00 C ATOM 319 C PHE A 21 8.294 -0.890 8.158 1.00 0.00 C ATOM 320 O PHE A 21 7.779 -0.436 9.181 1.00 0.00 O ATOM 321 CB PHE A 21 8.034 -0.406 5.734 1.00 0.00 C ATOM 322 CG PHE A 21 7.515 -0.822 4.399 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.272 -0.418 3.972 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.290 -1.604 3.559 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.804 -0.784 2.737 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.826 -1.979 2.317 1.00 0.00 C ATOM 327 CZ PHE A 21 6.577 -1.568 1.903 1.00 0.00 C ATOM 0 H PHE A 21 5.845 0.143 6.849 1.00 0.00 H new ATOM 0 HA PHE A 21 7.474 -2.244 6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.825 0.655 5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.118 -0.520 5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.658 0.194 4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.270 -1.924 3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.826 -0.458 2.414 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.438 -2.592 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.205 -1.858 0.931 1.00 0.00 H new ATOM 422 N GLN A 28 15.677 2.483 3.159 1.00 0.00 N ATOM 423 CA GLN A 28 14.878 1.690 2.235 1.00 0.00 C ATOM 424 C GLN A 28 13.410 1.642 2.646 1.00 0.00 C ATOM 425 O GLN A 28 12.529 1.943 1.843 1.00 0.00 O ATOM 426 CB GLN A 28 15.434 0.278 2.126 1.00 0.00 C ATOM 427 CG GLN A 28 16.335 0.112 0.925 1.00 0.00 C ATOM 428 CD GLN A 28 15.565 0.125 -0.381 1.00 0.00 C ATOM 429 OE1 GLN A 28 15.086 -0.907 -0.843 1.00 0.00 O ATOM 430 NE2 GLN A 28 15.459 1.294 -0.994 1.00 0.00 N ATOM 0 HA GLN A 28 14.935 2.176 1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.990 0.037 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.609 -0.432 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 28 17.075 0.913 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.882 -0.827 1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.871 2.128 -0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.965 1.360 -1.884 1.00 0.00 H new ATOM 439 N VAL A 29 13.148 1.279 3.900 1.00 0.00 N ATOM 440 CA VAL A 29 11.774 1.146 4.368 1.00 0.00 C ATOM 441 C VAL A 29 11.085 2.505 4.374 1.00 0.00 C ATOM 442 O VAL A 29 9.951 2.637 3.924 1.00 0.00 O ATOM 443 CB VAL A 29 11.676 0.496 5.784 1.00 0.00 C ATOM 444 CG1 VAL A 29 12.389 -0.844 5.823 1.00 0.00 C ATOM 445 CG2 VAL A 29 12.226 1.406 6.874 1.00 0.00 C ATOM 0 H VAL A 29 13.860 1.074 4.601 1.00 0.00 H new ATOM 0 HA VAL A 29 11.269 0.477 3.671 1.00 0.00 H new ATOM 0 HB VAL A 29 10.615 0.340 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.304 -1.273 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.934 -1.519 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.442 -0.703 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.136 0.911 7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.275 1.622 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.661 2.338 6.890 1.00 0.00 H new ATOM 455 N ASN A 30 11.804 3.507 4.861 1.00 0.00 N ATOM 456 CA ASN A 30 11.303 4.875 4.942 1.00 0.00 C ATOM 457 C ASN A 30 11.047 5.468 3.556 1.00 0.00 C ATOM 458 O ASN A 30 10.034 6.132 3.330 1.00 0.00 O ATOM 459 CB ASN A 30 12.307 5.737 5.717 1.00 0.00 C ATOM 460 CG ASN A 30 12.053 7.224 5.573 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.253 7.808 6.303 1.00 0.00 O ATOM 462 ND2 ASN A 30 12.759 7.851 4.646 1.00 0.00 N ATOM 0 H ASN A 30 12.755 3.395 5.213 1.00 0.00 H new ATOM 0 HA ASN A 30 10.348 4.861 5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.268 5.469 6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.315 5.512 5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.650 8.857 4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.412 7.329 4.062 1.00 0.00 H new ATOM 469 N GLY A 31 11.957 5.211 2.628 1.00 0.00 N ATOM 470 CA GLY A 31 11.855 5.802 1.314 1.00 0.00 C ATOM 471 C GLY A 31 10.828 5.111 0.451 1.00 0.00 C ATOM 472 O GLY A 31 10.103 5.763 -0.299 1.00 0.00 O ATOM 0 H GLY A 31 12.764 4.603 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.594 6.856 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.827 5.759 0.823 1.00 0.00 H new ATOM 476 N ILE A 32 10.739 3.793 0.561 1.00 0.00 N ATOM 477 CA ILE A 32 9.844 3.048 -0.301 1.00 0.00 C ATOM 478 C ILE A 32 8.401 3.129 0.172 1.00 0.00 C ATOM 479 O ILE A 32 7.497 3.066 -0.637 1.00 0.00 O ATOM 480 CB ILE A 32 10.285 1.579 -0.487 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.445 1.293 -1.990 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.314 0.596 0.164 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.218 1.627 -2.842 1.00 0.00 C ATOM 0 H ILE A 32 11.267 3.229 1.227 1.00 0.00 H new ATOM 0 HA ILE A 32 9.901 3.525 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 32 11.241 1.437 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.296 1.862 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.684 0.238 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.667 -0.423 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.255 0.798 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.326 0.711 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.425 1.392 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.366 1.039 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.987 2.688 -2.748 1.00 0.00 H new ATOM 495 N VAL A 33 8.172 3.287 1.465 1.00 0.00 N ATOM 496 CA VAL A 33 6.810 3.488 1.943 1.00 0.00 C ATOM 497 C VAL A 33 6.340 4.878 1.526 1.00 0.00 C ATOM 498 O VAL A 33 5.153 5.118 1.303 1.00 0.00 O ATOM 499 CB VAL A 33 6.700 3.311 3.467 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.523 4.350 4.193 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.252 3.361 3.910 1.00 0.00 C ATOM 0 H VAL A 33 8.890 3.281 2.189 1.00 0.00 H new ATOM 0 HA VAL A 33 6.170 2.729 1.494 1.00 0.00 H new ATOM 0 HB VAL A 33 7.099 2.329 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.428 4.203 5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.570 4.252 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.166 5.346 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.198 3.234 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.821 4.324 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.694 2.562 3.422 1.00 0.00 H new ATOM 511 N HIS A 34 7.304 5.781 1.405 1.00 0.00 N ATOM 512 CA HIS A 34 7.067 7.116 0.894 1.00 0.00 C ATOM 513 C HIS A 34 6.748 7.057 -0.603 1.00 0.00 C ATOM 514 O HIS A 34 5.868 7.764 -1.089 1.00 0.00 O ATOM 515 CB HIS A 34 8.309 7.981 1.157 1.00 0.00 C ATOM 516 CG HIS A 34 8.274 9.345 0.538 1.00 0.00 C ATOM 517 ND1 HIS A 34 9.318 9.854 -0.203 1.00 0.00 N ATOM 518 CD2 HIS A 34 7.331 10.316 0.571 1.00 0.00 C ATOM 519 CE1 HIS A 34 9.020 11.075 -0.596 1.00 0.00 C ATOM 520 NE2 HIS A 34 7.820 11.380 -0.142 1.00 0.00 N ATOM 0 H HIS A 34 8.275 5.603 1.661 1.00 0.00 H new ATOM 0 HA HIS A 34 6.211 7.561 1.402 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.435 8.091 2.234 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.187 7.452 0.785 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.373 10.262 1.066 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.652 11.718 -1.190 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.335 12.264 -0.296 1.00 0.00 H new ATOM 529 N ALA A 35 7.465 6.200 -1.323 1.00 0.00 N ATOM 530 CA ALA A 35 7.287 6.068 -2.763 1.00 0.00 C ATOM 531 C ALA A 35 6.153 5.105 -3.112 1.00 0.00 C ATOM 532 O ALA A 35 5.613 5.156 -4.212 1.00 0.00 O ATOM 533 CB ALA A 35 8.585 5.612 -3.413 1.00 0.00 C ATOM 0 H ALA A 35 8.177 5.585 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 35 7.014 7.049 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.439 5.517 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.368 6.345 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.879 4.647 -3.000 1.00 0.00 H new ATOM 539 N ALA A 36 5.796 4.237 -2.171 1.00 0.00 N ATOM 540 CA ALA A 36 4.821 3.173 -2.416 1.00 0.00 C ATOM 541 C ALA A 36 3.462 3.739 -2.784 1.00 0.00 C ATOM 542 O ALA A 36 2.717 3.134 -3.550 1.00 0.00 O ATOM 543 CB ALA A 36 4.697 2.262 -1.205 1.00 0.00 C ATOM 0 H ALA A 36 6.170 4.248 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 36 5.185 2.587 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.967 1.480 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.664 1.808 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.371 2.844 -0.343 1.00 0.00 H new ATOM 549 N ALA A 37 3.160 4.916 -2.255 1.00 0.00 N ATOM 550 CA ALA A 37 1.904 5.581 -2.546 1.00 0.00 C ATOM 551 C ALA A 37 1.848 5.903 -4.024 1.00 0.00 C ATOM 552 O ALA A 37 0.842 5.685 -4.695 1.00 0.00 O ATOM 553 CB ALA A 37 1.778 6.848 -1.722 1.00 0.00 C ATOM 0 H ALA A 37 3.772 5.429 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 37 1.074 4.924 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.831 7.338 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.811 6.597 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.601 7.521 -1.961 1.00 0.00 H new ATOM 559 N ALA A 38 2.964 6.388 -4.530 1.00 0.00 N ATOM 560 CA ALA A 38 3.074 6.708 -5.932 1.00 0.00 C ATOM 561 C ALA A 38 3.287 5.446 -6.758 1.00 0.00 C ATOM 562 O ALA A 38 2.946 5.394 -7.939 1.00 0.00 O ATOM 563 CB ALA A 38 4.196 7.706 -6.163 1.00 0.00 C ATOM 0 H ALA A 38 3.808 6.568 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 38 2.140 7.166 -6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.265 7.936 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.990 8.620 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.139 7.278 -5.822 1.00 0.00 H new ATOM 569 N TYR A 39 3.848 4.430 -6.121 1.00 0.00 N ATOM 570 CA TYR A 39 4.104 3.158 -6.775 1.00 0.00 C ATOM 571 C TYR A 39 2.786 2.474 -7.142 1.00 0.00 C ATOM 572 O TYR A 39 2.615 1.979 -8.259 1.00 0.00 O ATOM 573 CB TYR A 39 4.927 2.248 -5.865 1.00 0.00 C ATOM 574 CG TYR A 39 5.680 1.190 -6.630 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.036 0.056 -7.099 1.00 0.00 C ATOM 576 CD2 TYR A 39 7.032 1.342 -6.901 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.720 -0.902 -7.819 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.725 0.389 -7.618 1.00 0.00 C ATOM 579 CZ TYR A 39 7.066 -0.731 -8.075 1.00 0.00 C ATOM 580 OH TYR A 39 7.756 -1.679 -8.795 1.00 0.00 O ATOM 0 H TYR A 39 4.137 4.464 -5.143 1.00 0.00 H new ATOM 0 HA TYR A 39 4.669 3.348 -7.688 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.634 2.852 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.266 1.768 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.984 -0.080 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.550 2.220 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.206 -1.780 -8.180 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.778 0.520 -7.820 1.00 0.00 H new ATOM 0 HH TYR A 39 8.692 -1.404 -8.886 1.00 0.00 H new ATOM 590 N ILE A 40 1.848 2.475 -6.200 1.00 0.00 N ATOM 591 CA ILE A 40 0.580 1.780 -6.373 1.00 0.00 C ATOM 592 C ILE A 40 -0.351 2.550 -7.290 1.00 0.00 C ATOM 593 O ILE A 40 -1.060 1.962 -8.096 1.00 0.00 O ATOM 594 CB ILE A 40 -0.124 1.564 -5.022 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.765 0.745 -4.096 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.466 0.870 -5.213 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.422 0.935 -2.641 1.00 0.00 C ATOM 0 H ILE A 40 1.945 2.953 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 40 0.810 0.814 -6.822 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.307 2.539 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.674 -0.311 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.806 1.023 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.944 0.729 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.106 1.484 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.310 -0.100 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.088 0.327 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.540 1.985 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.610 0.630 -2.468 1.00 0.00 H new ATOM 609 N GLU A 41 -0.344 3.869 -7.178 1.00 0.00 N ATOM 610 CA GLU A 41 -1.277 4.682 -7.941 1.00 0.00 C ATOM 611 C GLU A 41 -0.939 4.661 -9.432 1.00 0.00 C ATOM 612 O GLU A 41 -1.786 4.960 -10.272 1.00 0.00 O ATOM 613 CB GLU A 41 -1.317 6.117 -7.410 1.00 0.00 C ATOM 614 CG GLU A 41 -0.073 6.934 -7.706 1.00 0.00 C ATOM 615 CD GLU A 41 -0.205 8.370 -7.247 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.090 9.086 -7.763 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.579 8.801 -6.379 1.00 0.00 O ATOM 0 H GLU A 41 0.289 4.394 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.270 4.249 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.180 6.625 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.468 6.087 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.785 6.476 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.125 6.914 -8.778 1.00 0.00 H new ATOM 624 N GLU A 42 0.296 4.301 -9.759 1.00 0.00 N ATOM 625 CA GLU A 42 0.697 4.171 -11.151 1.00 0.00 C ATOM 626 C GLU A 42 0.495 2.739 -11.641 1.00 0.00 C ATOM 627 O GLU A 42 0.323 2.504 -12.838 1.00 0.00 O ATOM 628 CB GLU A 42 2.147 4.620 -11.345 1.00 0.00 C ATOM 629 CG GLU A 42 2.328 6.118 -11.163 1.00 0.00 C ATOM 630 CD GLU A 42 3.748 6.586 -11.403 1.00 0.00 C ATOM 631 OE1 GLU A 42 4.191 6.590 -12.569 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.423 6.984 -10.427 1.00 0.00 O ATOM 0 H GLU A 42 1.032 4.095 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 42 0.062 4.824 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.784 4.093 -10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.480 4.337 -12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.660 6.643 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.029 6.392 -10.151 1.00 0.00 H new ATOM 639 N GLN A 43 0.498 1.784 -10.715 1.00 0.00 N ATOM 640 CA GLN A 43 0.218 0.390 -11.054 1.00 0.00 C ATOM 641 C GLN A 43 -0.896 -0.149 -10.153 1.00 0.00 C ATOM 642 O GLN A 43 -0.660 -1.002 -9.294 1.00 0.00 O ATOM 643 CB GLN A 43 1.479 -0.464 -10.910 1.00 0.00 C ATOM 644 CG GLN A 43 2.701 0.128 -11.593 1.00 0.00 C ATOM 645 CD GLN A 43 3.813 -0.882 -11.773 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.887 -1.574 -12.788 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.691 -0.974 -10.792 1.00 0.00 N ATOM 0 H GLN A 43 0.690 1.948 -9.727 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.109 0.341 -12.093 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.696 -0.599 -9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.286 -1.453 -11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.413 0.523 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.070 0.968 -11.005 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.596 -0.383 -9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.464 -1.636 -10.860 1.00 0.00 H new ATOM 656 N PRO A 44 -2.128 0.355 -10.341 1.00 0.00 N ATOM 657 CA PRO A 44 -3.242 0.103 -9.443 1.00 0.00 C ATOM 658 C PRO A 44 -4.139 -1.048 -9.883 1.00 0.00 C ATOM 659 O PRO A 44 -3.824 -1.803 -10.810 1.00 0.00 O ATOM 660 CB PRO A 44 -4.007 1.423 -9.527 1.00 0.00 C ATOM 661 CG PRO A 44 -3.763 1.936 -10.914 1.00 0.00 C ATOM 662 CD PRO A 44 -2.545 1.220 -11.452 1.00 0.00 C ATOM 0 HA PRO A 44 -2.908 -0.189 -8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.071 1.273 -9.345 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.652 2.131 -8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.629 1.751 -11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.601 3.014 -10.902 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.783 0.640 -12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.759 1.922 -11.730 1.00 0.00 H new ATOM 670 N PHE A 45 -5.253 -1.169 -9.185 1.00 0.00 N ATOM 671 CA PHE A 45 -6.281 -2.140 -9.488 1.00 0.00 C ATOM 672 C PHE A 45 -7.615 -1.408 -9.604 1.00 0.00 C ATOM 673 O PHE A 45 -7.816 -0.405 -8.928 1.00 0.00 O ATOM 674 CB PHE A 45 -6.324 -3.229 -8.409 1.00 0.00 C ATOM 675 CG PHE A 45 -6.057 -2.723 -7.017 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.071 -2.169 -6.258 1.00 0.00 C ATOM 677 CD2 PHE A 45 -4.783 -2.803 -6.470 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.824 -1.703 -4.980 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.531 -2.339 -5.194 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.554 -1.788 -4.448 1.00 0.00 C ATOM 0 H PHE A 45 -5.470 -0.584 -8.378 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.065 -2.638 -10.433 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.303 -3.707 -8.429 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.589 -3.997 -8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.068 -2.099 -6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.980 -3.233 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.625 -1.272 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.536 -2.407 -4.780 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.360 -1.424 -3.450 1.00 0.00 H new ATOM 690 N PRO A 46 -8.521 -1.880 -10.477 1.00 0.00 N ATOM 691 CA PRO A 46 -9.767 -1.174 -10.841 1.00 0.00 C ATOM 692 C PRO A 46 -10.499 -0.490 -9.676 1.00 0.00 C ATOM 693 O PRO A 46 -11.051 0.600 -9.837 1.00 0.00 O ATOM 694 CB PRO A 46 -10.626 -2.294 -11.412 1.00 0.00 C ATOM 695 CG PRO A 46 -9.655 -3.231 -12.032 1.00 0.00 C ATOM 696 CD PRO A 46 -8.409 -3.169 -11.187 1.00 0.00 C ATOM 0 HA PRO A 46 -9.555 -0.347 -11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.208 -2.785 -10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.335 -1.914 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.056 -4.244 -12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.441 -2.944 -13.062 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.358 -4.005 -10.490 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.509 -3.210 -11.800 1.00 0.00 H new ATOM 704 N GLY A 47 -10.487 -1.113 -8.503 1.00 0.00 N ATOM 705 CA GLY A 47 -11.243 -0.598 -7.378 1.00 0.00 C ATOM 706 C GLY A 47 -10.370 0.121 -6.374 1.00 0.00 C ATOM 707 O GLY A 47 -10.745 0.279 -5.218 1.00 0.00 O ATOM 0 H GLY A 47 -9.965 -1.968 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.010 0.085 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.758 -1.421 -6.883 1.00 0.00 H new ATOM 711 N PHE A 48 -9.190 0.526 -6.810 1.00 0.00 N ATOM 712 CA PHE A 48 -8.282 1.295 -5.967 1.00 0.00 C ATOM 713 C PHE A 48 -8.877 2.654 -5.611 1.00 0.00 C ATOM 714 O PHE A 48 -9.446 3.341 -6.460 1.00 0.00 O ATOM 715 CB PHE A 48 -6.937 1.458 -6.684 1.00 0.00 C ATOM 716 CG PHE A 48 -6.000 2.444 -6.049 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.382 2.161 -4.841 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.729 3.651 -6.672 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.512 3.068 -4.269 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.863 4.560 -6.103 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.254 4.270 -4.901 1.00 0.00 C ATOM 0 H PHE A 48 -8.834 0.336 -7.747 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.127 0.755 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.445 0.487 -6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.125 1.767 -7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.583 1.224 -4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.202 3.883 -7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.033 2.838 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.662 5.498 -6.598 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.576 4.981 -4.453 1.00 0.00 H new ATOM 731 N ILE A 49 -8.748 3.021 -4.342 1.00 0.00 N ATOM 732 CA ILE A 49 -9.291 4.273 -3.838 1.00 0.00 C ATOM 733 C ILE A 49 -8.181 5.282 -3.552 1.00 0.00 C ATOM 734 O ILE A 49 -8.168 6.375 -4.118 1.00 0.00 O ATOM 735 CB ILE A 49 -10.111 4.025 -2.552 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.372 3.217 -2.871 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.471 5.326 -1.849 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.331 3.901 -3.821 1.00 0.00 C ATOM 0 H ILE A 49 -8.267 2.462 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.943 4.685 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.486 3.449 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.076 2.260 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.895 3.001 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.047 5.107 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.559 5.856 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.065 5.949 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.195 3.258 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.661 4.845 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.829 4.093 -4.769 1.00 0.00 H new ATOM 750 N GLU A 50 -7.253 4.907 -2.676 1.00 0.00 N ATOM 751 CA GLU A 50 -6.188 5.808 -2.251 1.00 0.00 C ATOM 752 C GLU A 50 -5.108 5.032 -1.507 1.00 0.00 C ATOM 753 O GLU A 50 -5.340 3.920 -1.059 1.00 0.00 O ATOM 754 CB GLU A 50 -6.765 6.902 -1.343 1.00 0.00 C ATOM 755 CG GLU A 50 -5.740 7.932 -0.886 1.00 0.00 C ATOM 756 CD GLU A 50 -6.354 9.075 -0.109 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.845 8.843 1.014 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.336 10.217 -0.616 1.00 0.00 O ATOM 0 H GLU A 50 -7.218 3.983 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.744 6.271 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.568 7.414 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.211 6.434 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.991 7.440 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.221 8.330 -1.758 1.00 0.00 H new ATOM 765 N CYS A 51 -3.927 5.607 -1.404 1.00 0.00 N ATOM 766 CA CYS A 51 -2.865 5.046 -0.592 1.00 0.00 C ATOM 767 C CYS A 51 -1.989 6.167 -0.069 1.00 0.00 C ATOM 768 O CYS A 51 -1.409 6.931 -0.841 1.00 0.00 O ATOM 769 CB CYS A 51 -2.035 4.042 -1.385 1.00 0.00 C ATOM 770 SG CYS A 51 -1.528 4.620 -3.020 1.00 0.00 S ATOM 0 H CYS A 51 -3.676 6.474 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.310 4.511 0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.144 3.790 -0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.610 3.123 -1.500 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.324 4.126 -3.921 1.00 0.00 H new ATOM 776 N ILE A 52 -1.914 6.279 1.240 1.00 0.00 N ATOM 777 CA ILE A 52 -1.189 7.374 1.856 1.00 0.00 C ATOM 778 C ILE A 52 0.029 6.884 2.628 1.00 0.00 C ATOM 779 O ILE A 52 -0.044 5.916 3.390 1.00 0.00 O ATOM 780 CB ILE A 52 -2.109 8.207 2.769 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.051 7.299 3.558 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.897 9.192 1.922 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.826 8.019 4.643 1.00 0.00 C ATOM 0 H ILE A 52 -2.344 5.629 1.898 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.834 8.015 1.049 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.500 8.758 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.756 6.834 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.471 6.495 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.549 9.784 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.208 9.853 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.500 8.647 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.473 7.310 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.129 8.460 5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.434 8.805 4.195 1.00 0.00 H new ATOM 795 N PRO A 53 1.175 7.541 2.407 1.00 0.00 N ATOM 796 CA PRO A 53 2.430 7.193 3.052 1.00 0.00 C ATOM 797 C PRO A 53 2.583 7.852 4.420 1.00 0.00 C ATOM 798 O PRO A 53 2.528 9.075 4.551 1.00 0.00 O ATOM 799 CB PRO A 53 3.473 7.724 2.072 1.00 0.00 C ATOM 800 CG PRO A 53 2.825 8.897 1.410 1.00 0.00 C ATOM 801 CD PRO A 53 1.331 8.688 1.495 1.00 0.00 C ATOM 0 HA PRO A 53 2.514 6.125 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.386 8.018 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.751 6.964 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.112 9.825 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.144 8.977 0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.827 9.574 1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.902 8.478 0.515 1.00 0.00 H new ATOM 809 N ALA A 54 2.781 7.033 5.435 1.00 0.00 N ATOM 810 CA ALA A 54 2.940 7.518 6.796 1.00 0.00 C ATOM 811 C ALA A 54 4.402 7.434 7.220 1.00 0.00 C ATOM 812 O ALA A 54 4.712 7.249 8.396 1.00 0.00 O ATOM 813 CB ALA A 54 2.053 6.728 7.748 1.00 0.00 C ATOM 0 H ALA A 54 2.836 6.019 5.343 1.00 0.00 H new ATOM 0 HA ALA A 54 2.633 8.563 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.184 7.103 8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.010 6.840 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.329 5.674 7.713 1.00 0.00 H new ATOM 819 N PHE A 55 5.289 7.520 6.226 1.00 0.00 N ATOM 820 CA PHE A 55 6.744 7.575 6.434 1.00 0.00 C ATOM 821 C PHE A 55 7.339 6.245 6.913 1.00 0.00 C ATOM 822 O PHE A 55 8.510 5.969 6.667 1.00 0.00 O ATOM 823 CB PHE A 55 7.119 8.710 7.383 1.00 0.00 C ATOM 824 CG PHE A 55 6.797 10.069 6.827 1.00 0.00 C ATOM 825 CD1 PHE A 55 7.576 10.619 5.821 1.00 0.00 C ATOM 826 CD2 PHE A 55 5.711 10.790 7.297 1.00 0.00 C ATOM 827 CE1 PHE A 55 7.279 11.861 5.297 1.00 0.00 C ATOM 828 CE2 PHE A 55 5.408 12.032 6.775 1.00 0.00 C ATOM 829 CZ PHE A 55 6.193 12.569 5.774 1.00 0.00 C ATOM 0 H PHE A 55 5.018 7.554 5.243 1.00 0.00 H new ATOM 0 HA PHE A 55 7.183 7.773 5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.592 8.576 8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.185 8.656 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.425 10.069 5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.094 10.376 8.081 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.895 12.279 4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.558 12.583 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.958 13.541 5.365 1.00 0.00 H new ATOM 839 N THR A 56 6.560 5.439 7.616 1.00 0.00 N ATOM 840 CA THR A 56 6.982 4.089 7.957 1.00 0.00 C ATOM 841 C THR A 56 5.806 3.110 7.851 1.00 0.00 C ATOM 842 O THR A 56 5.914 1.940 8.211 1.00 0.00 O ATOM 843 CB THR A 56 7.622 4.041 9.365 1.00 0.00 C ATOM 844 OG1 THR A 56 8.035 2.709 9.694 1.00 0.00 O ATOM 845 CG2 THR A 56 6.660 4.560 10.427 1.00 0.00 C ATOM 0 H THR A 56 5.635 5.694 7.961 1.00 0.00 H new ATOM 0 HA THR A 56 7.743 3.783 7.239 1.00 0.00 H new ATOM 0 HB THR A 56 8.499 4.688 9.346 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.356 2.071 9.389 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.139 4.514 11.405 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.393 5.593 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.760 3.945 10.434 1.00 0.00 H new ATOM 853 N SER A 57 4.683 3.598 7.340 1.00 0.00 N ATOM 854 CA SER A 57 3.491 2.776 7.161 1.00 0.00 C ATOM 855 C SER A 57 2.713 3.256 5.947 1.00 0.00 C ATOM 856 O SER A 57 2.691 4.443 5.648 1.00 0.00 O ATOM 857 CB SER A 57 2.614 2.834 8.414 1.00 0.00 C ATOM 858 OG SER A 57 3.333 2.402 9.556 1.00 0.00 O ATOM 0 H SER A 57 4.572 4.566 7.040 1.00 0.00 H new ATOM 0 HA SER A 57 3.793 1.741 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.259 3.853 8.567 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.733 2.207 8.275 1.00 0.00 H new ATOM 0 HG SER A 57 2.753 2.449 10.345 1.00 0.00 H new ATOM 864 N LEU A 58 2.117 2.328 5.234 1.00 0.00 N ATOM 865 CA LEU A 58 1.374 2.646 4.035 1.00 0.00 C ATOM 866 C LEU A 58 -0.097 2.309 4.231 1.00 0.00 C ATOM 867 O LEU A 58 -0.465 1.141 4.350 1.00 0.00 O ATOM 868 CB LEU A 58 1.945 1.858 2.857 1.00 0.00 C ATOM 869 CG LEU A 58 1.285 2.124 1.505 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.526 3.559 1.058 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.811 1.143 0.473 1.00 0.00 C ATOM 0 H LEU A 58 2.133 1.335 5.467 1.00 0.00 H new ATOM 0 HA LEU A 58 1.462 3.712 3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.008 2.083 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.861 0.794 3.079 1.00 0.00 H new ATOM 0 HG LEU A 58 0.209 1.983 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.047 3.725 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.106 4.245 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.598 3.736 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.337 1.338 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.890 1.261 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.584 0.125 0.790 1.00 0.00 H new ATOM 883 N THR A 59 -0.925 3.332 4.282 1.00 0.00 N ATOM 884 CA THR A 59 -2.349 3.155 4.449 1.00 0.00 C ATOM 885 C THR A 59 -3.016 3.038 3.078 1.00 0.00 C ATOM 886 O THR A 59 -3.136 4.024 2.350 1.00 0.00 O ATOM 887 CB THR A 59 -2.929 4.351 5.218 1.00 0.00 C ATOM 888 OG1 THR A 59 -2.041 4.707 6.290 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.292 4.029 5.790 1.00 0.00 C ATOM 0 H THR A 59 -0.629 4.305 4.209 1.00 0.00 H new ATOM 0 HA THR A 59 -2.539 2.243 5.015 1.00 0.00 H new ATOM 0 HB THR A 59 -3.035 5.182 4.521 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.267 4.186 7.089 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.675 4.896 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.975 3.774 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.209 3.185 6.474 1.00 0.00 H new ATOM 897 N VAL A 60 -3.434 1.831 2.725 1.00 0.00 N ATOM 898 CA VAL A 60 -3.976 1.563 1.403 1.00 0.00 C ATOM 899 C VAL A 60 -5.491 1.416 1.457 1.00 0.00 C ATOM 900 O VAL A 60 -6.029 0.517 2.107 1.00 0.00 O ATOM 901 CB VAL A 60 -3.357 0.290 0.781 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.875 0.071 -0.635 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.840 0.380 0.786 1.00 0.00 C ATOM 0 H VAL A 60 -3.407 1.018 3.341 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.719 2.415 0.774 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.656 -0.565 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.425 -0.830 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.959 -0.041 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.612 0.928 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.420 -0.524 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.525 1.247 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.485 0.482 1.812 1.00 0.00 H new ATOM 913 N PHE A 61 -6.162 2.310 0.771 1.00 0.00 N ATOM 914 CA PHE A 61 -7.606 2.308 0.687 1.00 0.00 C ATOM 915 C PHE A 61 -8.040 1.812 -0.678 1.00 0.00 C ATOM 916 O PHE A 61 -7.380 2.062 -1.690 1.00 0.00 O ATOM 917 CB PHE A 61 -8.149 3.711 0.901 1.00 0.00 C ATOM 918 CG PHE A 61 -7.885 4.291 2.259 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.659 4.866 2.556 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.874 4.288 3.228 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.429 5.425 3.797 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.646 4.840 4.473 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.422 5.411 4.757 1.00 0.00 C ATOM 0 H PHE A 61 -5.719 3.067 0.250 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.997 1.648 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.715 4.371 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.226 3.698 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.878 4.877 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.836 3.849 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.472 5.874 4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.423 4.825 5.223 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.241 5.846 5.729 1.00 0.00 H new ATOM 933 N TYR A 62 -9.165 1.141 -0.706 1.00 0.00 N ATOM 934 CA TYR A 62 -9.673 0.542 -1.919 1.00 0.00 C ATOM 935 C TYR A 62 -11.119 0.154 -1.719 1.00 0.00 C ATOM 936 O TYR A 62 -11.610 0.108 -0.591 1.00 0.00 O ATOM 937 CB TYR A 62 -8.836 -0.676 -2.324 1.00 0.00 C ATOM 938 CG TYR A 62 -8.471 -1.576 -1.170 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.432 -2.338 -0.530 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.159 -1.665 -0.722 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.100 -3.160 0.521 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.825 -2.487 0.333 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.802 -3.235 0.947 1.00 0.00 C ATOM 944 OH TYR A 62 -7.482 -4.065 1.991 1.00 0.00 O ATOM 0 H TYR A 62 -9.756 0.994 0.112 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.605 1.270 -2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.389 -1.255 -3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.922 -0.332 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.459 -2.286 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.390 -1.082 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.864 -3.746 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.802 -2.543 0.675 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.175 -4.004 2.681 1.00 0.00 H new ATOM 954 N ASP A 63 -11.796 -0.108 -2.810 1.00 0.00 N ATOM 955 CA ASP A 63 -13.207 -0.401 -2.770 1.00 0.00 C ATOM 956 C ASP A 63 -13.410 -1.902 -2.836 1.00 0.00 C ATOM 957 O ASP A 63 -13.097 -2.545 -3.846 1.00 0.00 O ATOM 958 CB ASP A 63 -13.922 0.298 -3.916 1.00 0.00 C ATOM 959 CG ASP A 63 -15.296 0.782 -3.499 1.00 0.00 C ATOM 960 OD1 ASP A 63 -16.130 -0.060 -3.115 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.541 2.009 -3.532 1.00 0.00 O ATOM 0 H ASP A 63 -11.388 -0.124 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.631 -0.031 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.325 1.144 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.016 -0.386 -4.759 1.00 0.00 H new ATOM 966 N MET A 64 -13.934 -2.456 -1.757 1.00 0.00 N ATOM 967 CA MET A 64 -13.991 -3.902 -1.584 1.00 0.00 C ATOM 968 C MET A 64 -14.901 -4.557 -2.618 1.00 0.00 C ATOM 969 O MET A 64 -14.775 -5.745 -2.891 1.00 0.00 O ATOM 970 CB MET A 64 -14.435 -4.262 -0.156 1.00 0.00 C ATOM 971 CG MET A 64 -15.918 -4.589 0.007 1.00 0.00 C ATOM 972 SD MET A 64 -17.018 -3.224 -0.433 1.00 0.00 S ATOM 973 CE MET A 64 -16.495 -1.957 0.716 1.00 0.00 C ATOM 0 H MET A 64 -14.329 -1.925 -0.981 1.00 0.00 H new ATOM 0 HA MET A 64 -12.985 -4.293 -1.741 1.00 0.00 H new ATOM 0 HB2 MET A 64 -13.852 -5.119 0.182 1.00 0.00 H new ATOM 0 HB3 MET A 64 -14.189 -3.429 0.503 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.160 -5.453 -0.612 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.106 -4.876 1.042 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.370 -1.506 1.184 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.862 -2.401 1.484 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.934 -1.190 0.182 1.00 0.00 H new ATOM 983 N TYR A 65 -15.801 -3.779 -3.202 1.00 0.00 N ATOM 984 CA TYR A 65 -16.745 -4.318 -4.173 1.00 0.00 C ATOM 985 C TYR A 65 -16.036 -4.741 -5.460 1.00 0.00 C ATOM 986 O TYR A 65 -16.461 -5.684 -6.115 1.00 0.00 O ATOM 987 CB TYR A 65 -17.871 -3.306 -4.467 1.00 0.00 C ATOM 988 CG TYR A 65 -17.609 -2.350 -5.622 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.506 -1.507 -5.632 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.481 -2.294 -6.701 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.277 -0.638 -6.682 1.00 0.00 C ATOM 992 CE2 TYR A 65 -18.260 -1.429 -7.754 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.157 -0.603 -7.741 1.00 0.00 C ATOM 994 OH TYR A 65 -16.937 0.259 -8.793 1.00 0.00 O ATOM 0 H TYR A 65 -15.898 -2.780 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.198 -5.209 -3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.787 -3.859 -4.677 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -18.052 -2.719 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.814 -1.531 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.347 -2.939 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.413 0.010 -6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.949 -1.400 -8.585 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.651 0.155 -9.456 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.931 -4.075 -5.790 1.00 0.00 N ATOM 1005 CA GLU A 66 -14.238 -4.332 -7.049 1.00 0.00 C ATOM 1006 C GLU A 66 -13.178 -5.382 -6.835 1.00 0.00 C ATOM 1007 O GLU A 66 -12.918 -6.214 -7.698 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.601 -3.059 -7.604 1.00 0.00 C ATOM 1009 CG GLU A 66 -14.323 -2.485 -8.815 1.00 0.00 C ATOM 1010 CD GLU A 66 -14.392 -3.459 -9.974 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -13.328 -3.917 -10.437 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -15.510 -3.763 -10.440 1.00 0.00 O ATOM 0 H GLU A 66 -14.499 -3.358 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.969 -4.686 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.575 -2.305 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.567 -3.271 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.334 -2.198 -8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.814 -1.577 -9.139 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.566 -5.339 -5.666 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.575 -6.325 -5.309 1.00 0.00 C ATOM 1021 C VAL A 67 -12.263 -7.670 -5.127 1.00 0.00 C ATOM 1022 O VAL A 67 -11.680 -8.709 -5.390 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.801 -5.915 -4.035 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.389 -4.453 -4.125 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.618 -6.164 -2.779 1.00 0.00 C ATOM 0 H VAL A 67 -12.740 -4.632 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.840 -6.399 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.907 -6.534 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.844 -4.172 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.749 -4.308 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.278 -3.830 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.041 -5.864 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.539 -5.583 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.861 -7.224 -2.707 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.527 -7.622 -4.708 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.375 -8.804 -4.597 1.00 0.00 C ATOM 1037 C TYR A 68 -14.722 -9.344 -5.979 1.00 0.00 C ATOM 1038 O TYR A 68 -15.056 -10.519 -6.133 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.650 -8.468 -3.817 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.437 -9.682 -3.374 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.885 -10.589 -2.480 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.727 -9.917 -3.834 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.590 -11.697 -2.061 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.441 -11.027 -3.416 1.00 0.00 C ATOM 1045 CZ TYR A 68 -17.867 -11.914 -2.529 1.00 0.00 C ATOM 1046 OH TYR A 68 -18.572 -13.019 -2.105 1.00 0.00 O ATOM 0 H TYR A 68 -13.992 -6.756 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.828 -9.576 -4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.382 -7.881 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.289 -7.840 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -14.885 -10.424 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.179 -9.224 -4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.142 -12.393 -1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.442 -11.198 -3.783 1.00 0.00 H new ATOM 0 HH TYR A 68 -19.456 -13.025 -2.528 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.646 -8.480 -6.983 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.835 -8.903 -8.361 1.00 0.00 C ATOM 1058 C LYS A 69 -13.583 -9.618 -8.840 1.00 0.00 C ATOM 1059 O LYS A 69 -13.628 -10.452 -9.741 1.00 0.00 O ATOM 1060 CB LYS A 69 -15.134 -7.711 -9.268 1.00 0.00 C ATOM 1061 CG LYS A 69 -16.289 -6.838 -8.798 1.00 0.00 C ATOM 1062 CD LYS A 69 -17.567 -7.637 -8.660 1.00 0.00 C ATOM 1063 CE LYS A 69 -17.974 -8.241 -9.985 1.00 0.00 C ATOM 1064 NZ LYS A 69 -19.058 -9.245 -9.828 1.00 0.00 N ATOM 0 H LYS A 69 -14.455 -7.485 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.689 -9.579 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.238 -7.096 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.357 -8.079 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.037 -6.384 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.442 -6.023 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.428 -8.428 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.365 -6.993 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.307 -7.450 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.108 -8.712 -10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.308 -9.635 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.732 -10.013 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.894 -8.791 -9.408 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.462 -9.282 -8.216 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.188 -9.903 -8.536 1.00 0.00 C ATOM 1080 C HIS A 70 -10.971 -11.149 -7.677 1.00 0.00 C ATOM 1081 O HIS A 70 -10.388 -12.117 -8.158 1.00 0.00 O ATOM 1082 CB HIS A 70 -10.051 -8.894 -8.328 1.00 0.00 C ATOM 1083 CG HIS A 70 -8.695 -9.411 -8.705 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -7.600 -9.328 -7.873 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -8.256 -10.000 -9.843 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -6.548 -9.849 -8.478 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -6.920 -10.262 -9.675 1.00 0.00 N ATOM 0 H HIS A 70 -12.412 -8.577 -7.480 1.00 0.00 H new ATOM 0 HA HIS A 70 -11.195 -10.211 -9.582 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.262 -7.999 -8.914 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.035 -8.593 -7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.847 -10.222 -10.719 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.553 -9.924 -8.064 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.312 -10.705 -10.364 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.444 -11.078 -6.416 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.374 -12.158 -5.408 1.00 0.00 C ATOM 1098 C LEU A 71 -11.081 -13.523 -6.024 1.00 0.00 C ATOM 1099 O LEU A 71 -11.993 -14.259 -6.416 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.688 -12.231 -4.612 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.622 -11.821 -3.126 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -11.794 -12.800 -2.306 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.068 -10.418 -2.968 1.00 0.00 C ATOM 0 H LEU A 71 -11.901 -10.239 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.545 -11.911 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.422 -11.596 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.063 -13.253 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.644 -11.840 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.772 -12.476 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.239 -13.793 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.777 -12.833 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.034 -10.157 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.062 -10.375 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.710 -9.712 -3.495 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.792 -13.860 -6.132 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.342 -15.127 -6.701 1.00 0.00 C ATOM 1117 C PRO A 72 -9.760 -16.295 -5.824 1.00 0.00 C ATOM 1118 O PRO A 72 -9.666 -16.220 -4.599 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.812 -14.986 -6.744 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.559 -13.523 -6.580 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.665 -13.023 -5.710 1.00 0.00 C ATOM 0 HA PRO A 72 -9.773 -15.326 -7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.339 -15.561 -5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.407 -15.354 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.587 -13.342 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.557 -13.014 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.439 -13.148 -4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.862 -11.963 -5.871 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.245 -17.357 -6.448 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.732 -18.515 -5.715 1.00 0.00 C ATOM 1131 C GLN A 73 -9.590 -19.193 -4.975 1.00 0.00 C ATOM 1132 O GLN A 73 -8.804 -19.950 -5.547 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.446 -19.477 -6.655 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.641 -18.837 -7.342 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.682 -18.337 -6.355 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.601 -19.063 -5.980 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.553 -17.089 -5.930 1.00 0.00 N ATOM 0 H GLN A 73 -10.312 -17.441 -7.462 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.456 -18.185 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.744 -19.832 -7.409 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.778 -20.350 -6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.299 -18.005 -7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.101 -19.562 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.778 -16.515 -6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.229 -16.702 -5.271 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.527 -18.894 -3.694 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.412 -19.282 -2.866 1.00 0.00 C ATOM 1148 C GLY A 74 -8.158 -18.210 -1.835 1.00 0.00 C ATOM 1149 O GLY A 74 -7.623 -18.471 -0.759 1.00 0.00 O ATOM 0 H GLY A 74 -10.252 -18.373 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.623 -20.232 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.523 -19.430 -3.479 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.558 -16.993 -2.191 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.545 -15.857 -1.287 1.00 0.00 C ATOM 1155 C ILE A 75 -9.853 -15.806 -0.511 1.00 0.00 C ATOM 1156 O ILE A 75 -10.931 -15.928 -1.092 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.376 -14.550 -2.077 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.143 -14.636 -2.979 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.270 -13.373 -1.129 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.829 -14.491 -2.246 1.00 0.00 C ATOM 0 H ILE A 75 -8.903 -16.770 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.709 -15.969 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.253 -14.401 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.153 -15.594 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.209 -13.859 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.151 -12.454 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.175 -13.309 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.408 -13.508 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.006 -14.564 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.795 -13.522 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.738 -15.283 -1.503 1.00 0.00 H new ATOM 1172 N SER A 76 -9.758 -15.624 0.791 1.00 0.00 N ATOM 1173 CA SER A 76 -10.930 -15.639 1.648 1.00 0.00 C ATOM 1174 C SER A 76 -11.318 -14.221 2.047 1.00 0.00 C ATOM 1175 O SER A 76 -12.275 -14.008 2.793 1.00 0.00 O ATOM 1176 CB SER A 76 -10.606 -16.455 2.891 1.00 0.00 C ATOM 1177 OG SER A 76 -11.759 -16.712 3.679 1.00 0.00 O ATOM 0 H SER A 76 -8.878 -15.463 1.282 1.00 0.00 H new ATOM 0 HA SER A 76 -11.769 -16.083 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.152 -17.401 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.869 -15.922 3.492 1.00 0.00 H new ATOM 0 HG SER A 76 -12.333 -15.918 3.688 1.00 0.00 H new ATOM 1183 N SER A 77 -10.570 -13.255 1.549 1.00 0.00 N ATOM 1184 CA SER A 77 -10.702 -11.889 2.014 1.00 0.00 C ATOM 1185 C SER A 77 -10.448 -10.864 0.912 1.00 0.00 C ATOM 1186 O SER A 77 -9.450 -10.931 0.199 1.00 0.00 O ATOM 1187 CB SER A 77 -9.708 -11.686 3.147 1.00 0.00 C ATOM 1188 OG SER A 77 -9.601 -10.320 3.511 1.00 0.00 O ATOM 0 H SER A 77 -9.866 -13.391 0.824 1.00 0.00 H new ATOM 0 HA SER A 77 -11.727 -11.734 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.019 -12.270 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.730 -12.060 2.845 1.00 0.00 H new ATOM 0 HG SER A 77 -9.714 -10.230 4.480 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.382 -9.912 0.761 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.200 -8.723 -0.078 1.00 0.00 C ATOM 1196 C PRO A 78 -9.863 -8.028 0.163 1.00 0.00 C ATOM 1197 O PRO A 78 -9.189 -7.637 -0.777 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.354 -7.824 0.353 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.427 -8.771 0.755 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.727 -9.957 1.363 1.00 0.00 C ATOM 0 HA PRO A 78 -11.195 -8.969 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.065 -7.175 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.679 -7.177 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.106 -8.309 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.026 -9.070 -0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.683 -9.883 2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.240 -10.889 1.128 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.490 -7.869 1.428 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.200 -7.282 1.778 1.00 0.00 C ATOM 1210 C PHE A 79 -7.054 -8.199 1.363 1.00 0.00 C ATOM 1211 O PHE A 79 -6.007 -7.740 0.910 1.00 0.00 O ATOM 1212 CB PHE A 79 -8.154 -6.985 3.288 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.983 -7.569 4.038 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -5.794 -6.865 4.149 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -7.079 -8.812 4.645 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -4.725 -7.390 4.848 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -6.012 -9.344 5.343 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.833 -8.631 5.446 1.00 0.00 C ATOM 0 H PHE A 79 -10.062 -8.138 2.229 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.081 -6.344 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -8.147 -5.904 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.073 -7.358 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.703 -5.895 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.000 -9.372 4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.805 -6.831 4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.099 -10.315 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.998 -9.043 5.993 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.274 -9.495 1.498 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.232 -10.475 1.260 1.00 0.00 C ATOM 1230 C GLU A 80 -5.900 -10.594 -0.230 1.00 0.00 C ATOM 1231 O GLU A 80 -4.769 -10.929 -0.592 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.661 -11.827 1.840 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.741 -12.994 1.519 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.221 -14.290 2.145 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.188 -14.892 1.628 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -5.641 -14.710 3.168 1.00 0.00 O ATOM 0 H GLU A 80 -8.172 -9.894 1.773 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.322 -10.144 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.735 -11.732 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.660 -12.061 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.676 -13.117 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.735 -12.771 1.875 1.00 0.00 H new ATOM 1243 N SER A 81 -6.864 -10.293 -1.095 1.00 0.00 N ATOM 1244 CA SER A 81 -6.631 -10.374 -2.525 1.00 0.00 C ATOM 1245 C SER A 81 -5.841 -9.161 -2.968 1.00 0.00 C ATOM 1246 O SER A 81 -4.950 -9.251 -3.809 1.00 0.00 O ATOM 1247 CB SER A 81 -7.953 -10.460 -3.291 1.00 0.00 C ATOM 1248 OG SER A 81 -8.777 -9.342 -3.022 1.00 0.00 O ATOM 0 H SER A 81 -7.803 -9.994 -0.830 1.00 0.00 H new ATOM 0 HA SER A 81 -6.063 -11.279 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.753 -10.518 -4.361 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.477 -11.375 -3.015 1.00 0.00 H new ATOM 0 HG SER A 81 -8.520 -8.945 -2.164 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.168 -8.033 -2.356 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.498 -6.776 -2.625 1.00 0.00 C ATOM 1256 C VAL A 82 -4.022 -6.864 -2.298 1.00 0.00 C ATOM 1257 O VAL A 82 -3.190 -6.244 -2.966 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.109 -5.645 -1.801 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.403 -4.339 -2.103 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.596 -5.546 -2.073 1.00 0.00 C ATOM 0 H VAL A 82 -6.908 -7.967 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.625 -6.568 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.976 -5.860 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.847 -3.540 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.346 -4.431 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.508 -4.105 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.021 -4.736 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.760 -5.345 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.079 -6.485 -1.803 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.699 -7.628 -1.259 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.311 -7.841 -0.895 1.00 0.00 C ATOM 1272 C LYS A 83 -1.556 -8.331 -2.110 1.00 0.00 C ATOM 1273 O LYS A 83 -0.485 -7.849 -2.415 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.168 -8.867 0.229 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.794 -8.463 1.547 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.129 -9.164 2.730 1.00 0.00 C ATOM 1277 CE LYS A 83 -2.124 -10.682 2.590 1.00 0.00 C ATOM 1278 NZ LYS A 83 -0.881 -11.189 1.946 1.00 0.00 N ATOM 0 H LYS A 83 -4.375 -8.104 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.905 -6.894 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.617 -9.805 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.108 -9.060 0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.713 -7.383 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.857 -8.703 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.103 -8.809 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.649 -8.890 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.230 -11.135 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.987 -10.993 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.804 -12.215 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.914 -10.992 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.055 -10.714 2.364 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.176 -9.239 -2.838 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.535 -9.878 -3.977 1.00 0.00 C ATOM 1294 C ARG A 84 -1.355 -8.883 -5.114 1.00 0.00 C ATOM 1295 O ARG A 84 -0.373 -8.942 -5.854 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.368 -11.070 -4.441 1.00 0.00 C ATOM 1297 CG ARG A 84 -2.855 -11.933 -3.292 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.697 -12.464 -2.458 1.00 0.00 C ATOM 1299 NE ARG A 84 -1.695 -13.917 -2.385 1.00 0.00 N ATOM 1300 CZ ARG A 84 -0.629 -14.653 -2.057 1.00 0.00 C ATOM 1301 NH1 ARG A 84 0.540 -14.074 -1.789 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -0.735 -15.974 -1.995 1.00 0.00 N ATOM 0 H ARG A 84 -3.130 -9.554 -2.661 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.550 -10.232 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.227 -10.709 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.773 -11.680 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.524 -11.351 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.434 -12.769 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.755 -12.122 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.757 -12.051 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.564 -14.406 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.628 -13.059 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.347 -14.646 -1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.628 -16.424 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.076 -16.540 -1.745 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.310 -7.967 -5.244 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.232 -6.915 -6.245 1.00 0.00 C ATOM 1318 C ASP A 85 -1.032 -6.025 -5.986 1.00 0.00 C ATOM 1319 O ASP A 85 -0.330 -5.627 -6.910 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.495 -6.050 -6.249 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.715 -6.781 -6.774 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.926 -6.781 -8.005 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.469 -7.346 -5.961 1.00 0.00 O ATOM 0 H ASP A 85 -3.149 -7.935 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.133 -7.401 -7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.695 -5.704 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.319 -5.164 -6.859 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.798 -5.706 -4.727 1.00 0.00 N ATOM 1329 CA VAL A 86 0.311 -4.843 -4.382 1.00 0.00 C ATOM 1330 C VAL A 86 1.607 -5.643 -4.258 1.00 0.00 C ATOM 1331 O VAL A 86 2.644 -5.190 -4.719 1.00 0.00 O ATOM 1332 CB VAL A 86 0.034 -4.014 -3.102 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.194 -3.146 -3.303 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.135 -4.890 -1.871 1.00 0.00 C ATOM 0 H VAL A 86 -1.355 -6.028 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 86 0.429 -4.129 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 86 0.904 -3.382 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.382 -2.567 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.027 -2.468 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.056 -3.779 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.327 -4.262 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.974 -5.569 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.775 -5.468 -1.708 1.00 0.00 H new ATOM 1344 N GLU A 87 1.529 -6.842 -3.677 1.00 0.00 N ATOM 1345 CA GLU A 87 2.681 -7.739 -3.527 1.00 0.00 C ATOM 1346 C GLU A 87 3.453 -7.901 -4.828 1.00 0.00 C ATOM 1347 O GLU A 87 4.654 -7.699 -4.853 1.00 0.00 O ATOM 1348 CB GLU A 87 2.237 -9.127 -3.037 1.00 0.00 C ATOM 1349 CG GLU A 87 1.944 -9.215 -1.543 1.00 0.00 C ATOM 1350 CD GLU A 87 1.194 -10.486 -1.171 1.00 0.00 C ATOM 1351 OE1 GLU A 87 1.450 -11.542 -1.786 1.00 0.00 O ATOM 1352 OE2 GLU A 87 0.321 -10.431 -0.280 1.00 0.00 O ATOM 0 H GLU A 87 0.662 -7.221 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 87 3.336 -7.278 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.343 -9.422 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.015 -9.850 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.882 -9.175 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.357 -8.348 -1.239 1.00 0.00 H new