USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 603 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 Single : A 10 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.8!) USER MOD Single : A 11 THR OG1 : rot 105:sc= 0.448 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.324 USER MOD Single : A 23 HIS : no HD1:sc= -0.871 X(o=-0.87,f=-0.52) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -125:sc= -0.584 (180deg=-2.49!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 90:sc= 1.65 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 17:sc= 1.01 USER MOD Single : A 44 TYR OH : rot 121:sc= -0.391 USER MOD Single : A 45 TYR OH : rot 42:sc= 0.198 USER MOD Single : A 47 HIS : no HD1:sc= -0.719 K(o=-0.72,f=-0.12) USER MOD Single : A 48 TYR OH : rot 164:sc= 0.486 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0369 (180deg=-0.453) USER MOD Single : A 54 ASN : amide:sc= -0.738 K(o=-0.74,f=-5!) USER MOD Single : A 62 ASN : amide:sc= -0.983 K(o=-0.98,f=-2.9!) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.0762 (180deg=-0.599) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.79 K(o=-0.79,f=-1.7) USER MOD Single : A 71 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.19) USER MOD Single : A 81 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 82 CYS SG : rot 76:sc= 0.896 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 9 -12.941 -12.422 3.335 1.00 1.00 N ATOM 114 CA ALA A 9 -12.277 -11.737 4.444 1.00 1.00 C ATOM 115 C ALA A 9 -13.052 -10.471 4.830 1.00 1.00 C ATOM 116 O ALA A 9 -13.600 -9.781 3.970 1.00 1.00 O ATOM 117 CB ALA A 9 -10.847 -11.370 4.018 1.00 1.00 C ATOM 0 HA ALA A 9 -12.245 -12.397 5.311 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -10.343 -10.859 4.838 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -10.299 -12.277 3.765 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -10.884 -10.713 3.149 1.00 1.00 H new ATOM 123 N ASN A 10 -13.082 -10.161 6.123 1.00 1.00 N ATOM 124 CA ASN A 10 -13.790 -8.974 6.620 1.00 1.00 C ATOM 125 C ASN A 10 -13.132 -7.701 6.081 1.00 1.00 C ATOM 126 O ASN A 10 -13.808 -6.747 5.695 1.00 1.00 O ATOM 127 CB ASN A 10 -13.781 -8.974 8.163 1.00 1.00 C ATOM 128 CG ASN A 10 -14.581 -7.790 8.724 1.00 1.00 C ATOM 129 OD1 ASN A 10 -15.029 -6.921 7.972 1.00 1.00 O ATOM 130 ND2 ASN A 10 -14.793 -7.709 10.008 1.00 1.00 N ATOM 0 H ASN A 10 -12.626 -10.712 6.850 1.00 1.00 H new ATOM 0 HA ASN A 10 -14.823 -9.000 6.272 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -14.204 -9.909 8.532 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -12.753 -8.925 8.523 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -15.328 -6.928 10.388 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -14.424 -8.426 10.632 1.00 1.00 H new ATOM 137 N THR A 11 -11.804 -7.693 6.049 1.00 1.00 N ATOM 138 CA THR A 11 -11.055 -6.534 5.552 1.00 1.00 C ATOM 139 C THR A 11 -11.228 -6.411 4.038 1.00 1.00 C ATOM 140 O THR A 11 -11.503 -7.387 3.339 1.00 1.00 O ATOM 141 CB THR A 11 -9.562 -6.690 5.913 1.00 1.00 C ATOM 142 OG1 THR A 11 -9.065 -7.889 5.338 1.00 1.00 O ATOM 143 CG2 THR A 11 -9.392 -6.747 7.447 1.00 1.00 C ATOM 0 H THR A 11 -11.221 -8.471 6.359 1.00 1.00 H new ATOM 0 HA THR A 11 -11.439 -5.627 6.019 1.00 1.00 H new ATOM 0 HB THR A 11 -9.007 -5.836 5.525 1.00 1.00 H new ATOM 0 HG1 THR A 11 -8.516 -7.673 4.555 1.00 1.00 H new ATOM 0 HG21 THR A 11 -8.336 -6.857 7.692 1.00 1.00 H new ATOM 0 HG22 THR A 11 -9.773 -5.827 7.890 1.00 1.00 H new ATOM 0 HG23 THR A 11 -9.947 -7.597 7.843 1.00 1.00 H new ATOM 151 N LEU A 12 -11.064 -5.193 3.531 1.00 1.00 N ATOM 152 CA LEU A 12 -11.214 -4.914 2.089 1.00 1.00 C ATOM 153 C LEU A 12 -9.893 -5.190 1.359 1.00 1.00 C ATOM 154 O LEU A 12 -9.818 -5.092 0.134 1.00 1.00 O ATOM 155 CB LEU A 12 -11.653 -3.427 1.900 1.00 1.00 C ATOM 156 CG LEU A 12 -13.186 -3.240 2.146 1.00 1.00 C ATOM 157 CD1 LEU A 12 -13.582 -3.701 3.574 1.00 1.00 C ATOM 158 CD2 LEU A 12 -13.564 -1.752 1.951 1.00 1.00 C ATOM 0 H LEU A 12 -10.826 -4.375 4.092 1.00 1.00 H new ATOM 0 HA LEU A 12 -11.977 -5.567 1.664 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -11.094 -2.792 2.588 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -11.404 -3.100 0.891 1.00 1.00 H new ATOM 0 HG LEU A 12 -13.728 -3.855 1.428 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -14.653 -3.560 3.718 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -13.335 -4.755 3.697 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -13.036 -3.112 4.311 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -14.633 -1.623 2.123 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -13.006 -1.139 2.659 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -13.320 -1.445 0.934 1.00 1.00 H new ATOM 170 N PHE A 13 -8.851 -5.533 2.108 1.00 1.00 N ATOM 171 CA PHE A 13 -7.511 -5.823 1.542 1.00 1.00 C ATOM 172 C PHE A 13 -7.105 -7.279 1.818 1.00 1.00 C ATOM 173 O PHE A 13 -7.359 -7.820 2.894 1.00 1.00 O ATOM 174 CB PHE A 13 -6.488 -4.863 2.184 1.00 1.00 C ATOM 175 CG PHE A 13 -6.842 -3.417 1.804 1.00 1.00 C ATOM 176 CD1 PHE A 13 -6.345 -2.859 0.608 1.00 1.00 C ATOM 177 CD2 PHE A 13 -7.678 -2.642 2.632 1.00 1.00 C ATOM 178 CE1 PHE A 13 -6.680 -1.547 0.252 1.00 1.00 C ATOM 179 CE2 PHE A 13 -8.008 -1.327 2.271 1.00 1.00 C ATOM 180 CZ PHE A 13 -7.508 -0.782 1.081 1.00 1.00 C ATOM 0 H PHE A 13 -8.897 -5.622 3.123 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.537 -5.680 0.462 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.494 -4.978 3.268 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.481 -5.105 1.843 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -5.705 -3.445 -0.035 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.066 -3.062 3.548 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -6.298 -1.124 -0.665 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -8.647 -0.735 2.910 1.00 1.00 H new ATOM 0 HZ PHE A 13 -7.762 0.230 0.803 1.00 1.00 H new ATOM 190 N VAL A 14 -6.459 -7.900 0.836 1.00 1.00 N ATOM 191 CA VAL A 14 -5.994 -9.303 0.937 1.00 1.00 C ATOM 192 C VAL A 14 -4.531 -9.415 0.505 1.00 1.00 C ATOM 193 O VAL A 14 -4.022 -8.599 -0.263 1.00 1.00 O ATOM 194 CB VAL A 14 -6.877 -10.221 0.048 1.00 1.00 C ATOM 195 CG1 VAL A 14 -8.332 -10.216 0.577 1.00 1.00 C ATOM 196 CG2 VAL A 14 -6.859 -9.739 -1.426 1.00 1.00 C ATOM 0 H VAL A 14 -6.237 -7.457 -0.056 1.00 1.00 H new ATOM 0 HA VAL A 14 -6.077 -9.621 1.976 1.00 1.00 H new ATOM 0 HB VAL A 14 -6.475 -11.233 0.089 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -8.949 -10.861 -0.049 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -8.347 -10.584 1.603 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -8.726 -9.200 0.550 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -7.484 -10.396 -2.031 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -7.244 -8.721 -1.481 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -5.837 -9.761 -1.804 1.00 1.00 H new ATOM 206 N ASP A 15 -3.857 -10.444 1.006 1.00 1.00 N ATOM 207 CA ASP A 15 -2.452 -10.686 0.694 1.00 1.00 C ATOM 208 C ASP A 15 -2.247 -10.950 -0.804 1.00 1.00 C ATOM 209 O ASP A 15 -3.066 -11.578 -1.476 1.00 1.00 O ATOM 210 CB ASP A 15 -1.961 -11.897 1.515 1.00 1.00 C ATOM 211 CG ASP A 15 -2.768 -13.150 1.164 1.00 1.00 C ATOM 212 OD1 ASP A 15 -3.943 -13.013 0.861 1.00 1.00 O ATOM 213 OD2 ASP A 15 -2.198 -14.227 1.203 1.00 1.00 O ATOM 0 H ASP A 15 -4.267 -11.132 1.638 1.00 1.00 H new ATOM 0 HA ASP A 15 -1.877 -9.797 0.953 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -0.903 -12.072 1.318 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.055 -11.684 2.580 1.00 1.00 H new ATOM 218 N GLY A 16 -1.127 -10.473 -1.334 1.00 1.00 N ATOM 219 CA GLY A 16 -0.787 -10.651 -2.753 1.00 1.00 C ATOM 220 C GLY A 16 -1.350 -9.513 -3.592 1.00 1.00 C ATOM 221 O GLY A 16 -0.997 -9.378 -4.763 1.00 1.00 O ATOM 0 H GLY A 16 -0.428 -9.954 -0.802 1.00 1.00 H new ATOM 0 HA2 GLY A 16 0.296 -10.693 -2.869 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -1.183 -11.602 -3.110 1.00 1.00 H new ATOM 225 N GLU A 17 -2.204 -8.693 -2.987 1.00 1.00 N ATOM 226 CA GLU A 17 -2.816 -7.548 -3.678 1.00 1.00 C ATOM 227 C GLU A 17 -1.830 -6.376 -3.773 1.00 1.00 C ATOM 228 O GLU A 17 -1.096 -6.080 -2.831 1.00 1.00 O ATOM 229 CB GLU A 17 -4.080 -7.107 -2.908 1.00 1.00 C ATOM 230 CG GLU A 17 -4.846 -5.990 -3.665 1.00 1.00 C ATOM 231 CD GLU A 17 -6.137 -5.611 -2.926 1.00 1.00 C ATOM 232 OE1 GLU A 17 -6.283 -5.985 -1.770 1.00 1.00 O ATOM 233 OE2 GLU A 17 -6.959 -4.943 -3.529 1.00 1.00 O ATOM 0 H GLU A 17 -2.493 -8.796 -2.014 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.084 -7.850 -4.690 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -4.736 -7.965 -2.762 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.798 -6.749 -1.918 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -4.209 -5.111 -3.766 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.086 -6.327 -4.673 1.00 1.00 H new ATOM 240 N ARG A 18 -1.836 -5.697 -4.915 1.00 1.00 N ATOM 241 CA ARG A 18 -0.963 -4.535 -5.141 1.00 1.00 C ATOM 242 C ARG A 18 -1.649 -3.280 -4.586 1.00 1.00 C ATOM 243 O ARG A 18 -2.814 -3.016 -4.880 1.00 1.00 O ATOM 244 CB ARG A 18 -0.696 -4.383 -6.664 1.00 1.00 C ATOM 245 CG ARG A 18 0.364 -3.257 -6.979 1.00 1.00 C ATOM 246 CD ARG A 18 1.813 -3.779 -6.831 1.00 1.00 C ATOM 247 NE ARG A 18 2.059 -4.869 -7.780 1.00 1.00 N ATOM 248 CZ ARG A 18 3.205 -5.563 -7.783 1.00 1.00 C ATOM 249 NH1 ARG A 18 4.145 -5.293 -6.914 1.00 1.00 N ATOM 250 NH2 ARG A 18 3.381 -6.517 -8.657 1.00 1.00 N ATOM 0 H ARG A 18 -2.437 -5.928 -5.706 1.00 1.00 H new ATOM 0 HA ARG A 18 -0.010 -4.673 -4.631 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -0.343 -5.333 -7.065 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -1.631 -4.150 -7.173 1.00 1.00 H new ATOM 0 HG2 ARG A 18 0.212 -2.887 -7.993 1.00 1.00 H new ATOM 0 HG3 ARG A 18 0.210 -2.414 -6.306 1.00 1.00 H new ATOM 0 HD2 ARG A 18 2.519 -2.968 -7.007 1.00 1.00 H new ATOM 0 HD3 ARG A 18 1.978 -4.130 -5.812 1.00 1.00 H new ATOM 0 HE ARG A 18 1.336 -5.106 -8.459 1.00 1.00 H new ATOM 0 HH11 ARG A 18 4.008 -4.550 -6.229 1.00 1.00 H new ATOM 0 HH12 ARG A 18 5.015 -5.825 -6.922 1.00 1.00 H new ATOM 0 HH21 ARG A 18 2.648 -6.731 -9.333 1.00 1.00 H new ATOM 0 HH22 ARG A 18 4.252 -7.048 -8.664 1.00 1.00 H new ATOM 264 N VAL A 19 -0.931 -2.491 -3.792 1.00 1.00 N ATOM 265 CA VAL A 19 -1.472 -1.247 -3.193 1.00 1.00 C ATOM 266 C VAL A 19 -0.435 -0.133 -3.254 1.00 1.00 C ATOM 267 O VAL A 19 0.735 -0.349 -3.573 1.00 1.00 O ATOM 268 CB VAL A 19 -1.896 -1.488 -1.714 1.00 1.00 C ATOM 269 CG1 VAL A 19 -2.981 -2.591 -1.653 1.00 1.00 C ATOM 270 CG2 VAL A 19 -0.672 -1.907 -0.848 1.00 1.00 C ATOM 0 H VAL A 19 0.038 -2.683 -3.539 1.00 1.00 H new ATOM 0 HA VAL A 19 -2.350 -0.949 -3.767 1.00 1.00 H new ATOM 0 HB VAL A 19 -2.299 -0.557 -1.315 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.274 -2.756 -0.616 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.851 -2.278 -2.231 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.583 -3.516 -2.069 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -0.993 -2.070 0.181 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.244 -2.828 -1.245 1.00 1.00 H new ATOM 0 HG23 VAL A 19 0.079 -1.117 -0.873 1.00 1.00 H new ATOM 280 N LEU A 20 -0.879 1.077 -2.931 1.00 1.00 N ATOM 281 CA LEU A 20 -0.006 2.270 -2.936 1.00 1.00 C ATOM 282 C LEU A 20 0.171 2.811 -1.507 1.00 1.00 C ATOM 283 O LEU A 20 -0.753 2.819 -0.694 1.00 1.00 O ATOM 284 CB LEU A 20 -0.633 3.352 -3.844 1.00 1.00 C ATOM 285 CG LEU A 20 -0.921 2.789 -5.271 1.00 1.00 C ATOM 286 CD1 LEU A 20 -1.591 3.885 -6.129 1.00 1.00 C ATOM 287 CD2 LEU A 20 0.384 2.298 -5.973 1.00 1.00 C ATOM 0 H LEU A 20 -1.843 1.269 -2.659 1.00 1.00 H new ATOM 0 HA LEU A 20 0.977 1.997 -3.321 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.560 3.713 -3.398 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.040 4.206 -3.916 1.00 1.00 H new ATOM 0 HG LEU A 20 -1.587 1.932 -5.168 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -1.793 3.494 -7.126 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.528 4.190 -5.662 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -0.926 4.745 -6.205 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.142 1.913 -6.964 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.082 3.130 -6.067 1.00 1.00 H new ATOM 0 HD23 LEU A 20 0.841 1.507 -5.379 1.00 1.00 H new ATOM 299 N CYS A 21 1.382 3.271 -1.210 1.00 1.00 N ATOM 300 CA CYS A 21 1.724 3.821 0.125 1.00 1.00 C ATOM 301 C CYS A 21 2.300 5.237 -0.014 1.00 1.00 C ATOM 302 O CYS A 21 3.377 5.435 -0.576 1.00 1.00 O ATOM 303 CB CYS A 21 2.761 2.897 0.800 1.00 1.00 C ATOM 304 SG CYS A 21 1.979 1.315 1.213 1.00 1.00 S ATOM 0 H CYS A 21 2.158 3.279 -1.872 1.00 1.00 H new ATOM 0 HA CYS A 21 0.823 3.872 0.736 1.00 1.00 H new ATOM 0 HB2 CYS A 21 3.607 2.734 0.133 1.00 1.00 H new ATOM 0 HB3 CYS A 21 3.152 3.368 1.702 1.00 1.00 H new ATOM 0 HG CYS A 21 2.851 0.535 1.779 1.00 1.00 H new ATOM 310 N PHE A 22 1.581 6.224 0.511 1.00 1.00 N ATOM 311 CA PHE A 22 2.016 7.632 0.459 1.00 1.00 C ATOM 312 C PHE A 22 2.800 7.978 1.725 1.00 1.00 C ATOM 313 O PHE A 22 2.613 7.378 2.783 1.00 1.00 O ATOM 314 CB PHE A 22 0.786 8.555 0.309 1.00 1.00 C ATOM 315 CG PHE A 22 -0.185 8.357 1.484 1.00 1.00 C ATOM 316 CD1 PHE A 22 -0.047 9.129 2.656 1.00 1.00 C ATOM 317 CD2 PHE A 22 -1.224 7.408 1.401 1.00 1.00 C ATOM 318 CE1 PHE A 22 -0.937 8.955 3.723 1.00 1.00 C ATOM 319 CE2 PHE A 22 -2.109 7.238 2.473 1.00 1.00 C ATOM 320 CZ PHE A 22 -1.966 8.011 3.632 1.00 1.00 C ATOM 0 H PHE A 22 0.688 6.082 0.982 1.00 1.00 H new ATOM 0 HA PHE A 22 2.667 7.780 -0.403 1.00 1.00 H new ATOM 0 HB2 PHE A 22 1.108 9.595 0.268 1.00 1.00 H new ATOM 0 HB3 PHE A 22 0.277 8.341 -0.631 1.00 1.00 H new ATOM 0 HD1 PHE A 22 0.748 9.857 2.731 1.00 1.00 H new ATOM 0 HD2 PHE A 22 -1.338 6.811 0.509 1.00 1.00 H new ATOM 0 HE1 PHE A 22 -0.829 9.550 4.618 1.00 1.00 H new ATOM 0 HE2 PHE A 22 -2.903 6.509 2.406 1.00 1.00 H new ATOM 0 HZ PHE A 22 -2.651 7.878 4.457 1.00 1.00 H new ATOM 330 N HIS A 23 3.699 8.953 1.621 1.00 1.00 N ATOM 331 CA HIS A 23 4.519 9.376 2.768 1.00 1.00 C ATOM 332 C HIS A 23 5.021 10.804 2.556 1.00 1.00 C ATOM 333 O HIS A 23 5.869 11.288 3.306 1.00 1.00 O ATOM 334 CB HIS A 23 5.707 8.401 2.947 1.00 1.00 C ATOM 335 CG HIS A 23 6.477 8.716 4.210 1.00 1.00 C ATOM 336 ND1 HIS A 23 6.014 8.352 5.466 1.00 1.00 N ATOM 337 CD2 HIS A 23 7.674 9.355 4.423 1.00 1.00 C ATOM 338 CE1 HIS A 23 6.921 8.766 6.368 1.00 1.00 C ATOM 339 NE2 HIS A 23 7.954 9.384 5.787 1.00 1.00 N ATOM 0 H HIS A 23 3.883 9.468 0.760 1.00 1.00 H new ATOM 0 HA HIS A 23 3.911 9.357 3.672 1.00 1.00 H new ATOM 0 HB2 HIS A 23 5.339 7.376 2.987 1.00 1.00 H new ATOM 0 HB3 HIS A 23 6.371 8.468 2.085 1.00 1.00 H new ATOM 0 HD2 HIS A 23 8.303 9.772 3.650 1.00 1.00 H new ATOM 0 HE1 HIS A 23 6.826 8.617 7.433 1.00 1.00 H new ATOM 0 HE2 HIS A 23 8.771 9.789 6.244 1.00 1.00 H new ATOM 348 N GLY A 24 4.494 11.477 1.538 1.00 1.00 N ATOM 349 CA GLY A 24 4.889 12.854 1.233 1.00 1.00 C ATOM 350 C GLY A 24 4.161 13.385 -0.015 1.00 1.00 C ATOM 351 O GLY A 24 3.219 12.750 -0.488 1.00 1.00 O ATOM 0 H GLY A 24 3.791 11.093 0.907 1.00 1.00 H new ATOM 0 HA2 GLY A 24 4.666 13.495 2.086 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.966 12.898 1.074 1.00 1.00 H new ATOM 355 N PRO A 25 4.564 14.508 -0.546 1.00 1.00 N ATOM 356 CA PRO A 25 3.906 15.101 -1.773 1.00 1.00 C ATOM 357 C PRO A 25 3.872 14.132 -2.978 1.00 1.00 C ATOM 358 O PRO A 25 3.394 14.490 -4.054 1.00 1.00 O ATOM 359 CB PRO A 25 4.777 16.362 -2.073 1.00 1.00 C ATOM 360 CG PRO A 25 5.343 16.732 -0.732 1.00 1.00 C ATOM 361 CD PRO A 25 5.677 15.380 -0.077 1.00 1.00 C ATOM 0 HA PRO A 25 2.854 15.329 -1.599 1.00 1.00 H new ATOM 0 HB2 PRO A 25 5.565 16.142 -2.793 1.00 1.00 H new ATOM 0 HB3 PRO A 25 4.179 17.171 -2.492 1.00 1.00 H new ATOM 0 HG2 PRO A 25 6.231 17.356 -0.833 1.00 1.00 H new ATOM 0 HG3 PRO A 25 4.624 17.295 -0.138 1.00 1.00 H new ATOM 0 HD2 PRO A 25 6.649 15.004 -0.397 1.00 1.00 H new ATOM 0 HD3 PRO A 25 5.705 15.452 1.010 1.00 1.00 H new ATOM 369 N LEU A 26 4.388 12.921 -2.800 1.00 1.00 N ATOM 370 CA LEU A 26 4.420 11.897 -3.878 1.00 1.00 C ATOM 371 C LEU A 26 3.976 10.529 -3.356 1.00 1.00 C ATOM 372 O LEU A 26 4.149 10.178 -2.189 1.00 1.00 O ATOM 373 CB LEU A 26 5.861 11.789 -4.471 1.00 1.00 C ATOM 374 CG LEU A 26 6.161 12.940 -5.506 1.00 1.00 C ATOM 375 CD1 LEU A 26 7.686 13.148 -5.641 1.00 1.00 C ATOM 376 CD2 LEU A 26 5.579 12.581 -6.911 1.00 1.00 C ATOM 0 H LEU A 26 4.796 12.608 -1.919 1.00 1.00 H new ATOM 0 HA LEU A 26 3.726 12.209 -4.658 1.00 1.00 H new ATOM 0 HB2 LEU A 26 6.590 11.830 -3.662 1.00 1.00 H new ATOM 0 HB3 LEU A 26 5.981 10.822 -4.959 1.00 1.00 H new ATOM 0 HG LEU A 26 5.691 13.853 -5.141 1.00 1.00 H new ATOM 0 HD11 LEU A 26 7.882 13.945 -6.358 1.00 1.00 H new ATOM 0 HD12 LEU A 26 8.103 13.421 -4.672 1.00 1.00 H new ATOM 0 HD13 LEU A 26 8.150 12.225 -5.989 1.00 1.00 H new ATOM 0 HD21 LEU A 26 5.796 13.387 -7.612 1.00 1.00 H new ATOM 0 HD22 LEU A 26 6.034 11.657 -7.268 1.00 1.00 H new ATOM 0 HD23 LEU A 26 4.500 12.447 -6.835 1.00 1.00 H new ATOM 388 N ILE A 27 3.406 9.750 -4.270 1.00 1.00 N ATOM 389 CA ILE A 27 2.915 8.395 -3.980 1.00 1.00 C ATOM 390 C ILE A 27 3.963 7.372 -4.442 1.00 1.00 C ATOM 391 O ILE A 27 4.594 7.516 -5.488 1.00 1.00 O ATOM 392 CB ILE A 27 1.559 8.163 -4.713 1.00 1.00 C ATOM 393 CG1 ILE A 27 0.528 9.244 -4.250 1.00 1.00 C ATOM 394 CG2 ILE A 27 1.007 6.744 -4.384 1.00 1.00 C ATOM 395 CD1 ILE A 27 -0.756 9.176 -5.097 1.00 1.00 C ATOM 0 H ILE A 27 3.268 10.037 -5.239 1.00 1.00 H new ATOM 0 HA ILE A 27 2.753 8.277 -2.909 1.00 1.00 H new ATOM 0 HB ILE A 27 1.717 8.241 -5.789 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.283 9.093 -3.199 1.00 1.00 H new ATOM 0 HG13 ILE A 27 0.972 10.236 -4.334 1.00 1.00 H new ATOM 0 HG21 ILE A 27 0.060 6.593 -4.901 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.723 5.990 -4.711 1.00 1.00 H new ATOM 0 HG23 ILE A 27 0.851 6.654 -3.309 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.458 9.937 -4.756 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.511 9.352 -6.144 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -1.210 8.191 -4.991 1.00 1.00 H new ATOM 407 N TYR A 28 4.128 6.322 -3.644 1.00 1.00 N ATOM 408 CA TYR A 28 5.102 5.240 -3.929 1.00 1.00 C ATOM 409 C TYR A 28 4.391 3.892 -4.060 1.00 1.00 C ATOM 410 O TYR A 28 3.349 3.657 -3.448 1.00 1.00 O ATOM 411 CB TYR A 28 6.117 5.195 -2.774 1.00 1.00 C ATOM 412 CG TYR A 28 6.825 6.555 -2.692 1.00 1.00 C ATOM 413 CD1 TYR A 28 6.251 7.610 -1.952 1.00 1.00 C ATOM 414 CD2 TYR A 28 8.040 6.771 -3.374 1.00 1.00 C ATOM 415 CE1 TYR A 28 6.889 8.857 -1.894 1.00 1.00 C ATOM 416 CE2 TYR A 28 8.671 8.020 -3.311 1.00 1.00 C ATOM 417 CZ TYR A 28 8.096 9.060 -2.572 1.00 1.00 C ATOM 418 OH TYR A 28 8.722 10.288 -2.509 1.00 1.00 O ATOM 0 H TYR A 28 3.600 6.185 -2.782 1.00 1.00 H new ATOM 0 HA TYR A 28 5.610 5.439 -4.873 1.00 1.00 H new ATOM 0 HB2 TYR A 28 5.611 4.974 -1.834 1.00 1.00 H new ATOM 0 HB3 TYR A 28 6.844 4.399 -2.939 1.00 1.00 H new ATOM 0 HD1 TYR A 28 5.318 7.457 -1.429 1.00 1.00 H new ATOM 0 HD2 TYR A 28 8.486 5.971 -3.947 1.00 1.00 H new ATOM 0 HE1 TYR A 28 6.448 9.662 -1.325 1.00 1.00 H new ATOM 0 HE2 TYR A 28 9.602 8.181 -3.833 1.00 1.00 H new ATOM 0 HH TYR A 28 9.549 10.261 -3.034 1.00 1.00 H new ATOM 428 N GLU A 29 4.967 2.994 -4.855 1.00 1.00 N ATOM 429 CA GLU A 29 4.395 1.658 -5.081 1.00 1.00 C ATOM 430 C GLU A 29 4.775 0.706 -3.938 1.00 1.00 C ATOM 431 O GLU A 29 5.897 0.718 -3.435 1.00 1.00 O ATOM 432 CB GLU A 29 4.910 1.101 -6.432 1.00 1.00 C ATOM 433 CG GLU A 29 4.216 -0.243 -6.786 1.00 1.00 C ATOM 434 CD GLU A 29 4.683 -0.743 -8.156 1.00 1.00 C ATOM 435 OE1 GLU A 29 5.882 -0.741 -8.388 1.00 1.00 O ATOM 436 OE2 GLU A 29 3.836 -1.123 -8.952 1.00 1.00 O ATOM 0 H GLU A 29 5.837 3.164 -5.360 1.00 1.00 H new ATOM 0 HA GLU A 29 3.308 1.738 -5.110 1.00 1.00 H new ATOM 0 HB2 GLU A 29 4.725 1.828 -7.223 1.00 1.00 H new ATOM 0 HB3 GLU A 29 5.989 0.954 -6.380 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.443 -0.988 -6.024 1.00 1.00 H new ATOM 0 HG3 GLU A 29 3.134 -0.110 -6.790 1.00 1.00 H new ATOM 443 N ALA A 30 3.824 -0.139 -3.554 1.00 1.00 N ATOM 444 CA ALA A 30 4.035 -1.111 -2.470 1.00 1.00 C ATOM 445 C ALA A 30 3.129 -2.324 -2.678 1.00 1.00 C ATOM 446 O ALA A 30 2.301 -2.338 -3.589 1.00 1.00 O ATOM 447 CB ALA A 30 3.732 -0.431 -1.130 1.00 1.00 C ATOM 0 H ALA A 30 2.895 -0.176 -3.974 1.00 1.00 H new ATOM 0 HA ALA A 30 5.069 -1.455 -2.471 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.885 -1.142 -0.318 1.00 1.00 H new ATOM 0 HB2 ALA A 30 4.398 0.422 -0.996 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.697 -0.088 -1.122 1.00 1.00 H new ATOM 453 N LYS A 31 3.278 -3.359 -1.859 1.00 1.00 N ATOM 454 CA LYS A 31 2.455 -4.589 -1.987 1.00 1.00 C ATOM 455 C LYS A 31 2.203 -5.231 -0.615 1.00 1.00 C ATOM 456 O LYS A 31 3.056 -5.225 0.272 1.00 1.00 O ATOM 457 CB LYS A 31 3.168 -5.594 -2.926 1.00 1.00 C ATOM 458 CG LYS A 31 2.271 -6.831 -3.206 1.00 1.00 C ATOM 459 CD LYS A 31 2.930 -7.773 -4.248 1.00 1.00 C ATOM 460 CE LYS A 31 4.269 -8.377 -3.723 1.00 1.00 C ATOM 461 NZ LYS A 31 5.390 -7.433 -4.011 1.00 1.00 N ATOM 0 H LYS A 31 3.955 -3.386 -1.097 1.00 1.00 H new ATOM 0 HA LYS A 31 1.489 -4.318 -2.412 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.419 -5.103 -3.866 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.106 -5.916 -2.474 1.00 1.00 H new ATOM 0 HG2 LYS A 31 2.096 -7.375 -2.278 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.298 -6.503 -3.571 1.00 1.00 H new ATOM 0 HD2 LYS A 31 2.240 -8.580 -4.495 1.00 1.00 H new ATOM 0 HD3 LYS A 31 3.117 -7.221 -5.169 1.00 1.00 H new ATOM 0 HE2 LYS A 31 4.201 -8.561 -2.651 1.00 1.00 H new ATOM 0 HE3 LYS A 31 4.458 -9.339 -4.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.130 -7.927 -4.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 5.034 -6.631 -4.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.787 -7.083 -3.116 1.00 1.00 H new ATOM 475 N VAL A 32 1.008 -5.791 -0.445 1.00 1.00 N ATOM 476 CA VAL A 32 0.610 -6.452 0.807 1.00 1.00 C ATOM 477 C VAL A 32 1.078 -7.913 0.801 1.00 1.00 C ATOM 478 O VAL A 32 0.611 -8.726 0.005 1.00 1.00 O ATOM 479 CB VAL A 32 -0.943 -6.410 0.974 1.00 1.00 C ATOM 480 CG1 VAL A 32 -1.347 -6.898 2.389 1.00 1.00 C ATOM 481 CG2 VAL A 32 -1.456 -4.970 0.762 1.00 1.00 C ATOM 0 H VAL A 32 0.286 -5.803 -1.166 1.00 1.00 H new ATOM 0 HA VAL A 32 1.075 -5.923 1.639 1.00 1.00 H new ATOM 0 HB VAL A 32 -1.390 -7.069 0.229 1.00 1.00 H new ATOM 0 HG11 VAL A 32 -2.432 -6.863 2.490 1.00 1.00 H new ATOM 0 HG12 VAL A 32 -1.002 -7.922 2.533 1.00 1.00 H new ATOM 0 HG13 VAL A 32 -0.892 -6.253 3.140 1.00 1.00 H new ATOM 0 HG21 VAL A 32 -2.539 -4.949 0.880 1.00 1.00 H new ATOM 0 HG22 VAL A 32 -0.998 -4.309 1.497 1.00 1.00 H new ATOM 0 HG23 VAL A 32 -1.194 -4.634 -0.241 1.00 1.00 H new ATOM 491 N LEU A 33 1.991 -8.253 1.704 1.00 1.00 N ATOM 492 CA LEU A 33 2.518 -9.640 1.794 1.00 1.00 C ATOM 493 C LEU A 33 1.647 -10.482 2.731 1.00 1.00 C ATOM 494 O LEU A 33 1.479 -11.683 2.515 1.00 1.00 O ATOM 495 CB LEU A 33 4.011 -9.625 2.294 1.00 1.00 C ATOM 496 CG LEU A 33 4.894 -10.685 1.559 1.00 1.00 C ATOM 497 CD1 LEU A 33 6.352 -10.580 2.063 1.00 1.00 C ATOM 498 CD2 LEU A 33 4.354 -12.127 1.797 1.00 1.00 C ATOM 0 H LEU A 33 2.388 -7.606 2.385 1.00 1.00 H new ATOM 0 HA LEU A 33 2.489 -10.089 0.801 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.434 -8.632 2.138 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.034 -9.817 3.367 1.00 1.00 H new ATOM 0 HG LEU A 33 4.858 -10.483 0.489 1.00 1.00 H new ATOM 0 HD11 LEU A 33 6.968 -11.319 1.551 1.00 1.00 H new ATOM 0 HD12 LEU A 33 6.737 -9.581 1.857 1.00 1.00 H new ATOM 0 HD13 LEU A 33 6.380 -10.766 3.137 1.00 1.00 H new ATOM 0 HD21 LEU A 33 4.987 -12.844 1.274 1.00 1.00 H new ATOM 0 HD22 LEU A 33 4.362 -12.347 2.865 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.334 -12.201 1.419 1.00 1.00 H new ATOM 510 N LYS A 34 1.117 -9.862 3.780 1.00 1.00 N ATOM 511 CA LYS A 34 0.277 -10.581 4.763 1.00 1.00 C ATOM 512 C LYS A 34 -0.687 -9.602 5.439 1.00 1.00 C ATOM 513 O LYS A 34 -0.437 -8.398 5.506 1.00 1.00 O ATOM 514 CB LYS A 34 1.191 -11.301 5.809 1.00 1.00 C ATOM 515 CG LYS A 34 0.416 -12.386 6.619 1.00 1.00 C ATOM 516 CD LYS A 34 1.264 -12.906 7.816 1.00 1.00 C ATOM 517 CE LYS A 34 2.620 -13.494 7.352 1.00 1.00 C ATOM 518 NZ LYS A 34 3.191 -14.315 8.455 1.00 1.00 N ATOM 0 H LYS A 34 1.246 -8.870 3.981 1.00 1.00 H new ATOM 0 HA LYS A 34 -0.319 -11.339 4.255 1.00 1.00 H new ATOM 0 HB2 LYS A 34 2.033 -11.765 5.295 1.00 1.00 H new ATOM 0 HB3 LYS A 34 1.605 -10.563 6.496 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -0.521 -11.968 6.988 1.00 1.00 H new ATOM 0 HG3 LYS A 34 0.158 -13.218 5.964 1.00 1.00 H new ATOM 0 HD2 LYS A 34 1.443 -12.090 8.516 1.00 1.00 H new ATOM 0 HD3 LYS A 34 0.702 -13.670 8.354 1.00 1.00 H new ATOM 0 HE2 LYS A 34 2.481 -14.105 6.460 1.00 1.00 H new ATOM 0 HE3 LYS A 34 3.307 -12.691 7.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 4.103 -14.715 8.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 3.335 -13.717 9.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 2.535 -15.087 8.689 1.00 1.00 H new ATOM 532 N THR A 35 -1.795 -10.138 5.939 1.00 1.00 N ATOM 533 CA THR A 35 -2.818 -9.321 6.614 1.00 1.00 C ATOM 534 C THR A 35 -3.429 -10.080 7.788 1.00 1.00 C ATOM 535 O THR A 35 -3.593 -11.300 7.742 1.00 1.00 O ATOM 536 CB THR A 35 -3.930 -8.960 5.607 1.00 1.00 C ATOM 537 OG1 THR A 35 -5.013 -8.361 6.301 1.00 1.00 O ATOM 538 CG2 THR A 35 -4.432 -10.217 4.867 1.00 1.00 C ATOM 0 H THR A 35 -2.015 -11.133 5.894 1.00 1.00 H new ATOM 0 HA THR A 35 -2.345 -8.415 6.992 1.00 1.00 H new ATOM 0 HB THR A 35 -3.522 -8.265 4.873 1.00 1.00 H new ATOM 0 HG1 THR A 35 -4.878 -7.391 6.343 1.00 1.00 H new ATOM 0 HG21 THR A 35 -5.215 -9.936 4.163 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.604 -10.675 4.325 1.00 1.00 H new ATOM 0 HG23 THR A 35 -4.831 -10.929 5.589 1.00 1.00 H new ATOM 546 N LYS A 36 -3.791 -9.345 8.834 1.00 1.00 N ATOM 547 CA LYS A 36 -4.418 -9.974 10.030 1.00 1.00 C ATOM 548 C LYS A 36 -5.894 -9.521 10.152 1.00 1.00 C ATOM 549 O LYS A 36 -6.162 -8.605 10.930 1.00 1.00 O ATOM 550 CB LYS A 36 -3.603 -9.590 11.293 1.00 1.00 C ATOM 551 CG LYS A 36 -4.137 -10.339 12.543 1.00 1.00 C ATOM 552 CD LYS A 36 -3.269 -10.014 13.778 1.00 1.00 C ATOM 553 CE LYS A 36 -3.779 -10.791 15.005 1.00 1.00 C ATOM 554 NZ LYS A 36 -2.925 -10.466 16.177 1.00 1.00 N ATOM 0 H LYS A 36 -3.672 -8.334 8.896 1.00 1.00 H new ATOM 0 HA LYS A 36 -4.410 -11.059 9.928 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -2.551 -9.832 11.140 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -3.662 -8.514 11.456 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.171 -10.052 12.732 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -4.133 -11.414 12.360 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.229 -10.275 13.580 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -3.296 -8.943 13.979 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.817 -10.528 15.212 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.755 -11.863 14.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -3.265 -10.988 17.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -1.941 -10.737 15.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -2.970 -9.444 16.367 1.00 1.00 H new ATOM 568 N PRO A 37 -6.824 -10.112 9.453 1.00 1.00 N ATOM 569 CA PRO A 37 -8.278 -9.689 9.526 1.00 1.00 C ATOM 570 C PRO A 37 -8.992 -10.257 10.756 1.00 1.00 C ATOM 571 O PRO A 37 -10.217 -10.192 10.862 1.00 1.00 O ATOM 572 CB PRO A 37 -8.851 -10.251 8.203 1.00 1.00 C ATOM 573 CG PRO A 37 -8.132 -11.560 8.057 1.00 1.00 C ATOM 574 CD PRO A 37 -6.676 -11.259 8.499 1.00 1.00 C ATOM 0 HA PRO A 37 -8.408 -8.612 9.632 1.00 1.00 H new ATOM 0 HB2 PRO A 37 -9.931 -10.387 8.256 1.00 1.00 H new ATOM 0 HB3 PRO A 37 -8.654 -9.586 7.362 1.00 1.00 H new ATOM 0 HG2 PRO A 37 -8.584 -12.332 8.680 1.00 1.00 H new ATOM 0 HG3 PRO A 37 -8.168 -11.919 7.029 1.00 1.00 H new ATOM 0 HD2 PRO A 37 -6.217 -12.123 8.980 1.00 1.00 H new ATOM 0 HD3 PRO A 37 -6.046 -10.995 7.650 1.00 1.00 H new ATOM 582 N ASP A 38 -8.223 -10.812 11.689 1.00 1.00 N ATOM 583 CA ASP A 38 -8.773 -11.400 12.916 1.00 1.00 C ATOM 584 C ASP A 38 -9.339 -10.321 13.848 1.00 1.00 C ATOM 585 O ASP A 38 -9.824 -10.622 14.939 1.00 1.00 O ATOM 586 CB ASP A 38 -7.660 -12.193 13.628 1.00 1.00 C ATOM 587 CG ASP A 38 -8.213 -12.944 14.844 1.00 1.00 C ATOM 588 OD1 ASP A 38 -9.278 -13.529 14.717 1.00 1.00 O ATOM 589 OD2 ASP A 38 -7.567 -12.924 15.879 1.00 1.00 O ATOM 0 H ASP A 38 -7.207 -10.869 11.621 1.00 1.00 H new ATOM 0 HA ASP A 38 -9.595 -12.065 12.652 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -7.211 -12.901 12.932 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -6.869 -11.513 13.945 1.00 1.00 H new ATOM 594 N ALA A 39 -9.278 -9.064 13.421 1.00 1.00 N ATOM 595 CA ALA A 39 -9.784 -7.948 14.241 1.00 1.00 C ATOM 596 C ALA A 39 -9.986 -6.687 13.396 1.00 1.00 C ATOM 597 O ALA A 39 -9.411 -6.539 12.318 1.00 1.00 O ATOM 598 CB ALA A 39 -8.784 -7.661 15.378 1.00 1.00 C ATOM 0 H ALA A 39 -8.888 -8.785 12.521 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.751 -8.232 14.657 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -9.153 -6.836 15.988 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.674 -8.550 15.999 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -7.817 -7.393 14.953 1.00 1.00 H new ATOM 604 N THR A 40 -10.800 -5.765 13.899 1.00 1.00 N ATOM 605 CA THR A 40 -11.097 -4.490 13.193 1.00 1.00 C ATOM 606 C THR A 40 -11.201 -3.294 14.197 1.00 1.00 C ATOM 607 O THR A 40 -12.090 -3.332 15.048 1.00 1.00 O ATOM 608 CB THR A 40 -12.445 -4.624 12.445 1.00 1.00 C ATOM 609 OG1 THR A 40 -13.489 -4.803 13.393 1.00 1.00 O ATOM 610 CG2 THR A 40 -12.418 -5.833 11.482 1.00 1.00 C ATOM 0 H THR A 40 -11.276 -5.863 14.796 1.00 1.00 H new ATOM 0 HA THR A 40 -10.283 -4.292 12.495 1.00 1.00 H new ATOM 0 HB THR A 40 -12.615 -3.718 11.863 1.00 1.00 H new ATOM 0 HG1 THR A 40 -13.175 -4.530 14.280 1.00 1.00 H new ATOM 0 HG21 THR A 40 -13.375 -5.909 10.966 1.00 1.00 H new ATOM 0 HG22 THR A 40 -11.621 -5.698 10.750 1.00 1.00 H new ATOM 0 HG23 THR A 40 -12.238 -6.746 12.049 1.00 1.00 H new ATOM 618 N PRO A 41 -10.372 -2.289 14.132 1.00 1.00 N ATOM 619 CA PRO A 41 -9.232 -2.089 13.153 1.00 1.00 C ATOM 620 C PRO A 41 -8.087 -3.060 13.451 1.00 1.00 C ATOM 621 O PRO A 41 -8.126 -3.833 14.407 1.00 1.00 O ATOM 622 CB PRO A 41 -8.816 -0.608 13.388 1.00 1.00 C ATOM 623 CG PRO A 41 -9.090 -0.413 14.846 1.00 1.00 C ATOM 624 CD PRO A 41 -10.439 -1.126 15.066 1.00 1.00 C ATOM 0 HA PRO A 41 -9.507 -2.283 12.116 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -7.766 -0.440 13.148 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -9.398 0.078 12.772 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -8.303 -0.847 15.462 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -9.150 0.644 15.104 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -10.559 -1.448 16.100 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -11.281 -0.473 14.835 1.00 1.00 H new ATOM 632 N VAL A 42 -7.054 -3.012 12.615 1.00 1.00 N ATOM 633 CA VAL A 42 -5.895 -3.914 12.796 1.00 1.00 C ATOM 634 C VAL A 42 -4.715 -3.463 11.936 1.00 1.00 C ATOM 635 O VAL A 42 -4.823 -2.492 11.188 1.00 1.00 O ATOM 636 CB VAL A 42 -6.332 -5.370 12.454 1.00 1.00 C ATOM 637 CG1 VAL A 42 -6.736 -5.463 10.950 1.00 1.00 C ATOM 638 CG2 VAL A 42 -5.201 -6.398 12.796 1.00 1.00 C ATOM 0 H VAL A 42 -6.984 -2.377 11.819 1.00 1.00 H new ATOM 0 HA VAL A 42 -5.561 -3.880 13.833 1.00 1.00 H new ATOM 0 HB VAL A 42 -7.197 -5.624 13.066 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -7.040 -6.483 10.717 1.00 1.00 H new ATOM 0 HG12 VAL A 42 -7.565 -4.783 10.753 1.00 1.00 H new ATOM 0 HG13 VAL A 42 -5.885 -5.187 10.327 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -5.536 -7.405 12.546 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -4.307 -6.160 12.220 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -4.972 -6.346 13.860 1.00 1.00 H new ATOM 648 N GLU A 43 -3.579 -4.138 12.066 1.00 1.00 N ATOM 649 CA GLU A 43 -2.356 -3.843 11.307 1.00 1.00 C ATOM 650 C GLU A 43 -2.283 -4.733 10.046 1.00 1.00 C ATOM 651 O GLU A 43 -2.943 -5.763 9.912 1.00 1.00 O ATOM 652 CB GLU A 43 -1.117 -4.077 12.202 1.00 1.00 C ATOM 653 CG GLU A 43 -1.087 -5.531 12.733 1.00 1.00 C ATOM 654 CD GLU A 43 0.121 -5.744 13.646 1.00 1.00 C ATOM 655 OE1 GLU A 43 1.153 -5.149 13.385 1.00 1.00 O ATOM 656 OE2 GLU A 43 -0.006 -6.506 14.591 1.00 1.00 O ATOM 0 H GLU A 43 -3.474 -4.921 12.712 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.374 -2.799 10.993 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -0.209 -3.874 11.634 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.131 -3.380 13.040 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -2.005 -5.743 13.280 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.046 -6.229 11.897 1.00 1.00 H new ATOM 663 N TYR A 44 -1.455 -4.299 9.100 1.00 1.00 N ATOM 664 CA TYR A 44 -1.261 -5.007 7.822 1.00 1.00 C ATOM 665 C TYR A 44 0.235 -5.086 7.460 1.00 1.00 C ATOM 666 O TYR A 44 1.017 -4.169 7.706 1.00 1.00 O ATOM 667 CB TYR A 44 -2.047 -4.250 6.734 1.00 1.00 C ATOM 668 CG TYR A 44 -3.550 -4.303 7.067 1.00 1.00 C ATOM 669 CD1 TYR A 44 -4.113 -3.378 7.971 1.00 1.00 C ATOM 670 CD2 TYR A 44 -4.378 -5.290 6.491 1.00 1.00 C ATOM 671 CE1 TYR A 44 -5.478 -3.443 8.286 1.00 1.00 C ATOM 672 CE2 TYR A 44 -5.741 -5.345 6.811 1.00 1.00 C ATOM 673 CZ TYR A 44 -6.289 -4.424 7.707 1.00 1.00 C ATOM 674 OH TYR A 44 -7.631 -4.484 8.021 1.00 1.00 O ATOM 0 H TYR A 44 -0.897 -3.450 9.190 1.00 1.00 H new ATOM 0 HA TYR A 44 -1.627 -6.030 7.904 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -1.711 -3.215 6.679 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.863 -4.697 5.757 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -3.492 -2.618 8.421 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -3.959 -6.007 5.800 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -5.905 -2.733 8.979 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -6.369 -6.101 6.364 1.00 1.00 H new ATOM 0 HH TYR A 44 -8.163 -4.382 7.204 1.00 1.00 H new ATOM 684 N TYR A 45 0.606 -6.210 6.853 1.00 1.00 N ATOM 685 CA TYR A 45 2.031 -6.416 6.461 1.00 1.00 C ATOM 686 C TYR A 45 2.264 -5.886 5.055 1.00 1.00 C ATOM 687 O TYR A 45 1.732 -6.429 4.088 1.00 1.00 O ATOM 688 CB TYR A 45 2.405 -7.915 6.498 1.00 1.00 C ATOM 689 CG TYR A 45 3.945 -8.107 6.483 1.00 1.00 C ATOM 690 CD1 TYR A 45 4.675 -7.933 5.288 1.00 1.00 C ATOM 691 CD2 TYR A 45 4.637 -8.476 7.655 1.00 1.00 C ATOM 692 CE1 TYR A 45 6.064 -8.126 5.275 1.00 1.00 C ATOM 693 CE2 TYR A 45 6.025 -8.663 7.632 1.00 1.00 C ATOM 694 CZ TYR A 45 6.735 -8.489 6.444 1.00 1.00 C ATOM 695 OH TYR A 45 8.102 -8.678 6.426 1.00 1.00 O ATOM 0 H TYR A 45 -0.022 -6.979 6.620 1.00 1.00 H new ATOM 0 HA TYR A 45 2.656 -5.877 7.173 1.00 1.00 H new ATOM 0 HB2 TYR A 45 1.987 -8.375 7.393 1.00 1.00 H new ATOM 0 HB3 TYR A 45 1.963 -8.424 5.641 1.00 1.00 H new ATOM 0 HD1 TYR A 45 4.162 -7.650 4.380 1.00 1.00 H new ATOM 0 HD2 TYR A 45 4.093 -8.615 8.577 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.617 -7.993 4.357 1.00 1.00 H new ATOM 0 HE2 TYR A 45 6.546 -8.942 8.536 1.00 1.00 H new ATOM 0 HH TYR A 45 8.523 -7.973 5.891 1.00 1.00 H new ATOM 705 N ILE A 46 3.078 -4.841 4.946 1.00 1.00 N ATOM 706 CA ILE A 46 3.387 -4.234 3.640 1.00 1.00 C ATOM 707 C ILE A 46 4.861 -3.854 3.571 1.00 1.00 C ATOM 708 O ILE A 46 5.480 -3.507 4.577 1.00 1.00 O ATOM 709 CB ILE A 46 2.477 -2.978 3.419 1.00 1.00 C ATOM 710 CG1 ILE A 46 1.014 -3.326 3.876 1.00 1.00 C ATOM 711 CG2 ILE A 46 2.512 -2.545 1.921 1.00 1.00 C ATOM 712 CD1 ILE A 46 0.016 -2.234 3.501 1.00 1.00 C ATOM 0 H ILE A 46 3.538 -4.393 5.738 1.00 1.00 H new ATOM 0 HA ILE A 46 3.187 -4.956 2.848 1.00 1.00 H new ATOM 0 HB ILE A 46 2.845 -2.141 4.013 1.00 1.00 H new ATOM 0 HG12 ILE A 46 0.707 -4.268 3.420 1.00 1.00 H new ATOM 0 HG13 ILE A 46 0.998 -3.474 4.956 1.00 1.00 H new ATOM 0 HG21 ILE A 46 1.876 -1.671 1.780 1.00 1.00 H new ATOM 0 HG22 ILE A 46 3.535 -2.299 1.637 1.00 1.00 H new ATOM 0 HG23 ILE A 46 2.149 -3.362 1.297 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -0.980 -2.520 3.838 1.00 1.00 H new ATOM 0 HD12 ILE A 46 0.305 -1.298 3.978 1.00 1.00 H new ATOM 0 HD13 ILE A 46 0.010 -2.103 2.419 1.00 1.00 H new ATOM 724 N HIS A 47 5.432 -3.913 2.373 1.00 1.00 N ATOM 725 CA HIS A 47 6.837 -3.574 2.128 1.00 1.00 C ATOM 726 C HIS A 47 6.972 -2.877 0.766 1.00 1.00 C ATOM 727 O HIS A 47 6.238 -3.162 -0.183 1.00 1.00 O ATOM 728 CB HIS A 47 7.700 -4.854 2.168 1.00 1.00 C ATOM 729 CG HIS A 47 7.216 -5.845 1.140 1.00 1.00 C ATOM 730 ND1 HIS A 47 8.041 -6.320 0.134 1.00 1.00 N ATOM 731 CD2 HIS A 47 6.003 -6.462 0.952 1.00 1.00 C ATOM 732 CE1 HIS A 47 7.323 -7.181 -0.607 1.00 1.00 C ATOM 733 NE2 HIS A 47 6.074 -7.305 -0.153 1.00 1.00 N ATOM 0 H HIS A 47 4.930 -4.200 1.533 1.00 1.00 H new ATOM 0 HA HIS A 47 7.186 -2.895 2.905 1.00 1.00 H new ATOM 0 HB2 HIS A 47 8.744 -4.603 1.978 1.00 1.00 H new ATOM 0 HB3 HIS A 47 7.655 -5.300 3.162 1.00 1.00 H new ATOM 0 HD2 HIS A 47 5.128 -6.315 1.568 1.00 1.00 H new ATOM 0 HE1 HIS A 47 7.710 -7.709 -1.466 1.00 1.00 H new ATOM 0 HE2 HIS A 47 5.331 -7.891 -0.534 1.00 1.00 H new ATOM 742 N TYR A 48 7.934 -1.967 0.665 1.00 1.00 N ATOM 743 CA TYR A 48 8.173 -1.227 -0.581 1.00 1.00 C ATOM 744 C TYR A 48 8.644 -2.187 -1.689 1.00 1.00 C ATOM 745 O TYR A 48 9.478 -3.064 -1.466 1.00 1.00 O ATOM 746 CB TYR A 48 9.229 -0.133 -0.324 1.00 1.00 C ATOM 747 CG TYR A 48 8.690 0.866 0.717 1.00 1.00 C ATOM 748 CD1 TYR A 48 7.710 1.804 0.338 1.00 1.00 C ATOM 749 CD2 TYR A 48 9.151 0.849 2.051 1.00 1.00 C ATOM 750 CE1 TYR A 48 7.202 2.713 1.278 1.00 1.00 C ATOM 751 CE2 TYR A 48 8.637 1.761 2.984 1.00 1.00 C ATOM 752 CZ TYR A 48 7.665 2.691 2.597 1.00 1.00 C ATOM 753 OH TYR A 48 7.158 3.586 3.519 1.00 1.00 O ATOM 0 H TYR A 48 8.564 -1.720 1.428 1.00 1.00 H new ATOM 0 HA TYR A 48 7.246 -0.759 -0.912 1.00 1.00 H new ATOM 0 HB2 TYR A 48 10.155 -0.583 0.034 1.00 1.00 H new ATOM 0 HB3 TYR A 48 9.465 0.385 -1.253 1.00 1.00 H new ATOM 0 HD1 TYR A 48 7.349 1.823 -0.680 1.00 1.00 H new ATOM 0 HD2 TYR A 48 9.901 0.133 2.354 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.452 3.431 0.982 1.00 1.00 H new ATOM 0 HE2 TYR A 48 8.992 1.746 4.004 1.00 1.00 H new ATOM 0 HH TYR A 48 7.381 3.284 4.424 1.00 1.00 H new ATOM 763 N ALA A 49 8.095 -2.020 -2.888 1.00 1.00 N ATOM 764 CA ALA A 49 8.444 -2.876 -4.031 1.00 1.00 C ATOM 765 C ALA A 49 9.923 -2.718 -4.410 1.00 1.00 C ATOM 766 O ALA A 49 10.477 -1.620 -4.369 1.00 1.00 O ATOM 767 CB ALA A 49 7.554 -2.510 -5.235 1.00 1.00 C ATOM 0 H ALA A 49 7.404 -1.300 -3.100 1.00 1.00 H new ATOM 0 HA ALA A 49 8.276 -3.915 -3.749 1.00 1.00 H new ATOM 0 HB1 ALA A 49 7.811 -3.144 -6.084 1.00 1.00 H new ATOM 0 HB2 ALA A 49 6.507 -2.662 -4.973 1.00 1.00 H new ATOM 0 HB3 ALA A 49 7.713 -1.465 -5.501 1.00 1.00 H new ATOM 773 N GLY A 50 10.565 -3.823 -4.777 1.00 1.00 N ATOM 774 CA GLY A 50 11.986 -3.817 -5.168 1.00 1.00 C ATOM 775 C GLY A 50 12.897 -3.823 -3.945 1.00 1.00 C ATOM 776 O GLY A 50 14.042 -3.375 -4.007 1.00 1.00 O ATOM 0 H GLY A 50 10.127 -4.744 -4.814 1.00 1.00 H new ATOM 0 HA2 GLY A 50 12.199 -4.689 -5.787 1.00 1.00 H new ATOM 0 HA3 GLY A 50 12.195 -2.936 -5.775 1.00 1.00 H new ATOM 780 N TRP A 51 12.391 -4.334 -2.827 1.00 1.00 N ATOM 781 CA TRP A 51 13.167 -4.397 -1.569 1.00 1.00 C ATOM 782 C TRP A 51 12.849 -5.683 -0.793 1.00 1.00 C ATOM 783 O TRP A 51 11.798 -6.302 -0.957 1.00 1.00 O ATOM 784 CB TRP A 51 12.835 -3.161 -0.707 1.00 1.00 C ATOM 785 CG TRP A 51 13.229 -1.909 -1.453 1.00 1.00 C ATOM 786 CD1 TRP A 51 12.376 -1.041 -2.056 1.00 1.00 C ATOM 787 CD2 TRP A 51 14.568 -1.387 -1.688 1.00 1.00 C ATOM 788 NE1 TRP A 51 13.108 -0.023 -2.638 1.00 1.00 N ATOM 789 CE2 TRP A 51 14.464 -0.191 -2.440 1.00 1.00 C ATOM 790 CE3 TRP A 51 15.853 -1.831 -1.325 1.00 1.00 C ATOM 791 CZ2 TRP A 51 15.592 0.537 -2.818 1.00 1.00 C ATOM 792 CZ3 TRP A 51 16.992 -1.100 -1.703 1.00 1.00 C ATOM 793 CH2 TRP A 51 16.862 0.082 -2.449 1.00 1.00 C ATOM 0 H TRP A 51 11.447 -4.714 -2.755 1.00 1.00 H new ATOM 0 HA TRP A 51 14.230 -4.404 -1.809 1.00 1.00 H new ATOM 0 HB2 TRP A 51 11.770 -3.140 -0.476 1.00 1.00 H new ATOM 0 HB3 TRP A 51 13.366 -3.214 0.244 1.00 1.00 H new ATOM 0 HD1 TRP A 51 11.300 -1.131 -2.077 1.00 1.00 H new ATOM 0 HE1 TRP A 51 12.697 0.757 -3.151 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.965 -2.740 -0.752 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.486 1.446 -3.392 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 17.973 -1.450 -1.418 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.741 0.639 -2.737 1.00 1.00 H new ATOM 804 N SER A 52 13.784 -6.082 0.061 1.00 1.00 N ATOM 805 CA SER A 52 13.624 -7.296 0.873 1.00 1.00 C ATOM 806 C SER A 52 12.489 -7.124 1.880 1.00 1.00 C ATOM 807 O SER A 52 12.124 -6.005 2.236 1.00 1.00 O ATOM 808 CB SER A 52 14.933 -7.594 1.617 1.00 1.00 C ATOM 809 OG SER A 52 15.190 -6.552 2.548 1.00 1.00 O ATOM 0 H SER A 52 14.663 -5.587 0.214 1.00 1.00 H new ATOM 0 HA SER A 52 13.380 -8.128 0.212 1.00 1.00 H new ATOM 0 HB2 SER A 52 14.861 -8.551 2.135 1.00 1.00 H new ATOM 0 HB3 SER A 52 15.757 -7.676 0.908 1.00 1.00 H new ATOM 0 HG SER A 52 16.025 -6.739 3.026 1.00 1.00 H new ATOM 815 N LYS A 53 11.929 -8.241 2.338 1.00 1.00 N ATOM 816 CA LYS A 53 10.824 -8.261 3.313 1.00 1.00 C ATOM 817 C LYS A 53 11.345 -8.138 4.747 1.00 1.00 C ATOM 818 O LYS A 53 10.559 -8.076 5.692 1.00 1.00 O ATOM 819 CB LYS A 53 9.976 -9.546 3.138 1.00 1.00 C ATOM 820 CG LYS A 53 10.826 -10.818 3.367 1.00 1.00 C ATOM 821 CD LYS A 53 9.955 -12.078 3.135 1.00 1.00 C ATOM 822 CE LYS A 53 10.795 -13.351 3.335 1.00 1.00 C ATOM 823 NZ LYS A 53 11.325 -13.378 4.726 1.00 1.00 N ATOM 0 H LYS A 53 12.227 -9.171 2.044 1.00 1.00 H new ATOM 0 HA LYS A 53 10.187 -7.398 3.122 1.00 1.00 H new ATOM 0 HB2 LYS A 53 9.142 -9.532 3.840 1.00 1.00 H new ATOM 0 HB3 LYS A 53 9.548 -9.568 2.136 1.00 1.00 H new ATOM 0 HG2 LYS A 53 11.679 -10.824 2.688 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.226 -10.822 4.381 1.00 1.00 H new ATOM 0 HD2 LYS A 53 9.112 -12.078 3.826 1.00 1.00 H new ATOM 0 HD3 LYS A 53 9.541 -12.062 2.127 1.00 1.00 H new ATOM 0 HE2 LYS A 53 10.186 -14.235 3.149 1.00 1.00 H new ATOM 0 HE3 LYS A 53 11.617 -13.374 2.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 11.640 -14.341 4.959 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 12.129 -12.723 4.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 10.577 -13.089 5.388 1.00 1.00 H new ATOM 837 N ASN A 54 12.662 -8.125 4.922 1.00 1.00 N ATOM 838 CA ASN A 54 13.280 -8.028 6.252 1.00 1.00 C ATOM 839 C ASN A 54 12.909 -6.709 6.931 1.00 1.00 C ATOM 840 O ASN A 54 12.945 -6.595 8.156 1.00 1.00 O ATOM 841 CB ASN A 54 14.812 -8.144 6.119 1.00 1.00 C ATOM 842 CG ASN A 54 15.193 -9.441 5.399 1.00 1.00 C ATOM 843 OD1 ASN A 54 14.344 -10.097 4.790 1.00 1.00 O ATOM 844 ND2 ASN A 54 16.430 -9.853 5.435 1.00 1.00 N ATOM 0 H ASN A 54 13.333 -8.181 4.156 1.00 1.00 H new ATOM 0 HA ASN A 54 12.906 -8.844 6.871 1.00 1.00 H new ATOM 0 HB2 ASN A 54 15.201 -7.288 5.568 1.00 1.00 H new ATOM 0 HB3 ASN A 54 15.271 -8.122 7.107 1.00 1.00 H new ATOM 0 HD21 ASN A 54 16.694 -10.716 4.960 1.00 1.00 H new ATOM 0 HD22 ASN A 54 17.133 -9.312 5.938 1.00 1.00 H new ATOM 851 N TRP A 55 12.545 -5.713 6.131 1.00 1.00 N ATOM 852 CA TRP A 55 12.160 -4.396 6.652 1.00 1.00 C ATOM 853 C TRP A 55 10.849 -4.518 7.430 1.00 1.00 C ATOM 854 O TRP A 55 10.634 -3.806 8.411 1.00 1.00 O ATOM 855 CB TRP A 55 12.002 -3.394 5.485 1.00 1.00 C ATOM 856 CG TRP A 55 13.334 -3.145 4.831 1.00 1.00 C ATOM 857 CD1 TRP A 55 14.029 -4.053 4.109 1.00 1.00 C ATOM 858 CD2 TRP A 55 14.134 -1.924 4.829 1.00 1.00 C ATOM 859 NE1 TRP A 55 15.205 -3.472 3.668 1.00 1.00 N ATOM 860 CE2 TRP A 55 15.315 -2.159 4.083 1.00 1.00 C ATOM 861 CE3 TRP A 55 13.953 -0.649 5.396 1.00 1.00 C ATOM 862 CZ2 TRP A 55 16.280 -1.166 3.907 1.00 1.00 C ATOM 863 CZ3 TRP A 55 14.922 0.353 5.219 1.00 1.00 C ATOM 864 CH2 TRP A 55 16.083 0.094 4.475 1.00 1.00 C ATOM 0 H TRP A 55 12.507 -5.788 5.114 1.00 1.00 H new ATOM 0 HA TRP A 55 12.937 -4.029 7.322 1.00 1.00 H new ATOM 0 HB2 TRP A 55 11.296 -3.786 4.752 1.00 1.00 H new ATOM 0 HB3 TRP A 55 11.589 -2.456 5.855 1.00 1.00 H new ATOM 0 HD1 TRP A 55 13.717 -5.067 3.909 1.00 1.00 H new ATOM 0 HE1 TRP A 55 15.905 -3.955 3.105 1.00 1.00 H new ATOM 0 HE3 TRP A 55 13.063 -0.439 5.971 1.00 1.00 H new ATOM 0 HZ2 TRP A 55 17.173 -1.371 3.335 1.00 1.00 H new ATOM 0 HZ3 TRP A 55 14.772 1.328 5.658 1.00 1.00 H new ATOM 0 HH2 TRP A 55 16.824 0.869 4.342 1.00 1.00 H new ATOM 875 N ASP A 56 9.974 -5.415 6.986 1.00 1.00 N ATOM 876 CA ASP A 56 8.665 -5.667 7.625 1.00 1.00 C ATOM 877 C ASP A 56 7.994 -4.385 8.146 1.00 1.00 C ATOM 878 O ASP A 56 7.972 -4.124 9.348 1.00 1.00 O ATOM 879 CB ASP A 56 8.839 -6.695 8.768 1.00 1.00 C ATOM 880 CG ASP A 56 9.769 -6.151 9.855 1.00 1.00 C ATOM 881 OD1 ASP A 56 10.971 -6.188 9.654 1.00 1.00 O ATOM 882 OD2 ASP A 56 9.265 -5.705 10.874 1.00 1.00 O ATOM 0 H ASP A 56 10.145 -5.998 6.166 1.00 1.00 H new ATOM 0 HA ASP A 56 8.000 -6.069 6.861 1.00 1.00 H new ATOM 0 HB2 ASP A 56 7.867 -6.932 9.201 1.00 1.00 H new ATOM 0 HB3 ASP A 56 9.245 -7.624 8.368 1.00 1.00 H new ATOM 887 N GLU A 57 7.444 -3.572 7.249 1.00 1.00 N ATOM 888 CA GLU A 57 6.799 -2.305 7.638 1.00 1.00 C ATOM 889 C GLU A 57 5.301 -2.526 7.911 1.00 1.00 C ATOM 890 O GLU A 57 4.487 -2.585 6.991 1.00 1.00 O ATOM 891 CB GLU A 57 7.004 -1.261 6.503 1.00 1.00 C ATOM 892 CG GLU A 57 6.722 0.176 7.012 1.00 1.00 C ATOM 893 CD GLU A 57 6.822 1.198 5.876 1.00 1.00 C ATOM 894 OE1 GLU A 57 6.716 0.800 4.725 1.00 1.00 O ATOM 895 OE2 GLU A 57 6.983 2.369 6.177 1.00 1.00 O ATOM 0 H GLU A 57 7.428 -3.760 6.247 1.00 1.00 H new ATOM 0 HA GLU A 57 7.254 -1.932 8.556 1.00 1.00 H new ATOM 0 HB2 GLU A 57 8.025 -1.323 6.127 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.342 -1.491 5.668 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.727 0.218 7.456 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.433 0.432 7.798 1.00 1.00 H new ATOM 902 N TRP A 58 4.941 -2.636 9.186 1.00 1.00 N ATOM 903 CA TRP A 58 3.538 -2.837 9.601 1.00 1.00 C ATOM 904 C TRP A 58 2.831 -1.463 9.642 1.00 1.00 C ATOM 905 O TRP A 58 3.327 -0.517 10.255 1.00 1.00 O ATOM 906 CB TRP A 58 3.501 -3.542 11.015 1.00 1.00 C ATOM 907 CG TRP A 58 3.259 -5.031 10.901 1.00 1.00 C ATOM 908 CD1 TRP A 58 2.135 -5.586 10.400 1.00 1.00 C ATOM 909 CD2 TRP A 58 4.117 -6.144 11.302 1.00 1.00 C ATOM 910 NE1 TRP A 58 2.242 -6.961 10.462 1.00 1.00 N ATOM 911 CE2 TRP A 58 3.444 -7.357 11.009 1.00 1.00 C ATOM 912 CE3 TRP A 58 5.398 -6.224 11.882 1.00 1.00 C ATOM 913 CZ2 TRP A 58 4.015 -8.603 11.281 1.00 1.00 C ATOM 914 CZ3 TRP A 58 5.977 -7.477 12.158 1.00 1.00 C ATOM 915 CH2 TRP A 58 5.287 -8.663 11.858 1.00 1.00 C ATOM 0 H TRP A 58 5.600 -2.590 9.963 1.00 1.00 H new ATOM 0 HA TRP A 58 3.017 -3.479 8.891 1.00 1.00 H new ATOM 0 HB2 TRP A 58 4.444 -3.367 11.532 1.00 1.00 H new ATOM 0 HB3 TRP A 58 2.716 -3.093 11.623 1.00 1.00 H new ATOM 0 HD1 TRP A 58 1.287 -5.041 10.012 1.00 1.00 H new ATOM 0 HE1 TRP A 58 1.519 -7.606 10.142 1.00 1.00 H new ATOM 0 HE3 TRP A 58 5.939 -5.319 12.116 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 3.479 -9.511 11.048 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 6.959 -7.527 12.604 1.00 1.00 H new ATOM 0 HH2 TRP A 58 5.739 -9.620 12.073 1.00 1.00 H new ATOM 926 N VAL A 59 1.671 -1.357 9.004 1.00 1.00 N ATOM 927 CA VAL A 59 0.915 -0.061 8.977 1.00 1.00 C ATOM 928 C VAL A 59 -0.624 -0.257 9.081 1.00 1.00 C ATOM 929 O VAL A 59 -1.119 -1.322 8.713 1.00 1.00 O ATOM 930 CB VAL A 59 1.235 0.718 7.659 1.00 1.00 C ATOM 931 CG1 VAL A 59 2.684 1.259 7.679 1.00 1.00 C ATOM 932 CG2 VAL A 59 1.045 -0.214 6.439 1.00 1.00 C ATOM 0 H VAL A 59 1.221 -2.122 8.501 1.00 1.00 H new ATOM 0 HA VAL A 59 1.239 0.505 9.850 1.00 1.00 H new ATOM 0 HB VAL A 59 0.550 1.562 7.584 1.00 1.00 H new ATOM 0 HG11 VAL A 59 2.884 1.797 6.753 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.808 1.935 8.525 1.00 1.00 H new ATOM 0 HG13 VAL A 59 3.382 0.427 7.773 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.269 0.334 5.524 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.718 -1.067 6.525 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.014 -0.566 6.407 1.00 1.00 H new ATOM 942 N PRO A 60 -1.357 0.733 9.512 1.00 1.00 N ATOM 943 CA PRO A 60 -2.861 0.625 9.606 1.00 1.00 C ATOM 944 C PRO A 60 -3.515 0.793 8.225 1.00 1.00 C ATOM 945 O PRO A 60 -2.945 1.384 7.307 1.00 1.00 O ATOM 946 CB PRO A 60 -3.275 1.785 10.592 1.00 1.00 C ATOM 947 CG PRO A 60 -1.964 2.335 11.108 1.00 1.00 C ATOM 948 CD PRO A 60 -0.973 2.101 9.961 1.00 1.00 C ATOM 0 HA PRO A 60 -3.189 -0.351 9.964 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -3.853 2.554 10.079 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -3.895 1.410 11.406 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -2.046 3.394 11.352 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -1.648 1.822 12.017 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -1.083 2.839 9.167 1.00 1.00 H new ATOM 0 HD3 PRO A 60 0.063 2.147 10.298 1.00 1.00 H new ATOM 956 N GLU A 61 -4.738 0.291 8.092 1.00 1.00 N ATOM 957 CA GLU A 61 -5.488 0.394 6.827 1.00 1.00 C ATOM 958 C GLU A 61 -5.581 1.855 6.344 1.00 1.00 C ATOM 959 O GLU A 61 -5.903 2.128 5.189 1.00 1.00 O ATOM 960 CB GLU A 61 -6.908 -0.201 7.021 1.00 1.00 C ATOM 961 CG GLU A 61 -7.620 0.488 8.209 1.00 1.00 C ATOM 962 CD GLU A 61 -9.017 -0.103 8.417 1.00 1.00 C ATOM 963 OE1 GLU A 61 -9.642 -0.463 7.434 1.00 1.00 O ATOM 964 OE2 GLU A 61 -9.441 -0.180 9.559 1.00 1.00 O ATOM 0 H GLU A 61 -5.238 -0.192 8.838 1.00 1.00 H new ATOM 0 HA GLU A 61 -4.955 -0.171 6.062 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.493 -0.068 6.111 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -6.839 -1.274 7.202 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -7.028 0.364 9.116 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -7.697 1.559 8.022 1.00 1.00 H new ATOM 971 N ASN A 62 -5.302 2.796 7.241 1.00 1.00 N ATOM 972 CA ASN A 62 -5.369 4.230 6.915 1.00 1.00 C ATOM 973 C ASN A 62 -4.331 4.626 5.851 1.00 1.00 C ATOM 974 O ASN A 62 -4.635 5.387 4.934 1.00 1.00 O ATOM 975 CB ASN A 62 -5.146 5.053 8.203 1.00 1.00 C ATOM 976 CG ASN A 62 -5.367 6.553 7.954 1.00 1.00 C ATOM 977 OD1 ASN A 62 -5.376 7.006 6.807 1.00 1.00 O ATOM 978 ND2 ASN A 62 -5.555 7.349 8.972 1.00 1.00 N ATOM 0 H ASN A 62 -5.026 2.598 8.203 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.355 4.440 6.500 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -5.827 4.707 8.980 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -4.133 4.889 8.571 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -5.709 8.346 8.819 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -5.548 6.974 9.921 1.00 1.00 H new ATOM 985 N ARG A 63 -3.109 4.119 5.972 1.00 1.00 N ATOM 986 CA ARG A 63 -2.023 4.437 5.018 1.00 1.00 C ATOM 987 C ARG A 63 -2.122 3.569 3.769 1.00 1.00 C ATOM 988 O ARG A 63 -1.310 3.696 2.854 1.00 1.00 O ATOM 989 CB ARG A 63 -0.645 4.225 5.702 1.00 1.00 C ATOM 990 CG ARG A 63 -0.412 5.306 6.783 1.00 1.00 C ATOM 991 CD ARG A 63 0.936 5.082 7.494 1.00 1.00 C ATOM 992 NE ARG A 63 1.170 6.155 8.475 1.00 1.00 N ATOM 993 CZ ARG A 63 0.511 6.220 9.642 1.00 1.00 C ATOM 994 NH1 ARG A 63 -0.391 5.328 9.941 1.00 1.00 N ATOM 995 NH2 ARG A 63 0.764 7.190 10.478 1.00 1.00 N ATOM 0 H ARG A 63 -2.833 3.483 6.720 1.00 1.00 H new ATOM 0 HA ARG A 63 -2.123 5.480 4.717 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -0.604 3.234 6.154 1.00 1.00 H new ATOM 0 HB3 ARG A 63 0.149 4.269 4.957 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -0.427 6.295 6.325 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -1.222 5.280 7.512 1.00 1.00 H new ATOM 0 HD2 ARG A 63 0.937 4.114 7.994 1.00 1.00 H new ATOM 0 HD3 ARG A 63 1.744 5.063 6.763 1.00 1.00 H new ATOM 0 HE ARG A 63 1.859 6.876 8.259 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -0.600 4.574 9.286 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -0.888 5.383 10.830 1.00 1.00 H new ATOM 0 HH21 ARG A 63 1.461 7.896 10.244 1.00 1.00 H new ATOM 0 HH22 ARG A 63 0.264 7.242 11.366 1.00 1.00 H new ATOM 1009 N VAL A 64 -3.114 2.686 3.714 1.00 1.00 N ATOM 1010 CA VAL A 64 -3.308 1.787 2.558 1.00 1.00 C ATOM 1011 C VAL A 64 -4.359 2.366 1.600 1.00 1.00 C ATOM 1012 O VAL A 64 -5.486 2.680 1.984 1.00 1.00 O ATOM 1013 CB VAL A 64 -3.748 0.380 3.056 1.00 1.00 C ATOM 1014 CG1 VAL A 64 -3.726 -0.637 1.886 1.00 1.00 C ATOM 1015 CG2 VAL A 64 -2.784 -0.098 4.165 1.00 1.00 C ATOM 0 H VAL A 64 -3.804 2.566 4.455 1.00 1.00 H new ATOM 0 HA VAL A 64 -2.365 1.695 2.018 1.00 1.00 H new ATOM 0 HB VAL A 64 -4.762 0.447 3.449 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.036 -1.617 2.250 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -4.410 -0.307 1.104 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -2.716 -0.703 1.481 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -3.092 -1.084 4.514 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -1.771 -0.154 3.767 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -2.809 0.606 4.997 1.00 1.00 H new ATOM 1025 N LEU A 65 -3.982 2.505 0.334 1.00 1.00 N ATOM 1026 CA LEU A 65 -4.897 3.046 -0.709 1.00 1.00 C ATOM 1027 C LEU A 65 -5.118 2.005 -1.815 1.00 1.00 C ATOM 1028 O LEU A 65 -4.180 1.379 -2.307 1.00 1.00 O ATOM 1029 CB LEU A 65 -4.298 4.345 -1.297 1.00 1.00 C ATOM 1030 CG LEU A 65 -5.255 5.037 -2.330 1.00 1.00 C ATOM 1031 CD1 LEU A 65 -6.602 5.485 -1.671 1.00 1.00 C ATOM 1032 CD2 LEU A 65 -4.536 6.272 -2.932 1.00 1.00 C ATOM 0 H LEU A 65 -3.055 2.256 -0.011 1.00 1.00 H new ATOM 0 HA LEU A 65 -5.863 3.273 -0.258 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -4.081 5.040 -0.486 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -3.350 4.116 -1.783 1.00 1.00 H new ATOM 0 HG LEU A 65 -5.495 4.314 -3.109 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -7.234 5.959 -2.422 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -7.115 4.614 -1.263 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -6.397 6.194 -0.869 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -5.193 6.760 -3.652 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -4.287 6.972 -2.135 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -3.622 5.953 -3.433 1.00 1.00 H new ATOM 1044 N LYS A 66 -6.373 1.835 -2.216 1.00 1.00 N ATOM 1045 CA LYS A 66 -6.736 0.878 -3.266 1.00 1.00 C ATOM 1046 C LYS A 66 -6.039 1.224 -4.588 1.00 1.00 C ATOM 1047 O LYS A 66 -5.899 2.396 -4.934 1.00 1.00 O ATOM 1048 CB LYS A 66 -8.277 0.867 -3.450 1.00 1.00 C ATOM 1049 CG LYS A 66 -8.801 2.290 -3.761 1.00 1.00 C ATOM 1050 CD LYS A 66 -10.343 2.271 -3.891 1.00 1.00 C ATOM 1051 CE LYS A 66 -10.865 3.686 -4.203 1.00 1.00 C ATOM 1052 NZ LYS A 66 -10.477 4.610 -3.099 1.00 1.00 N ATOM 0 H LYS A 66 -7.164 2.349 -1.829 1.00 1.00 H new ATOM 0 HA LYS A 66 -6.404 -0.116 -2.965 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -8.547 0.190 -4.260 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -8.754 0.488 -2.546 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -8.503 2.977 -2.969 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -8.355 2.657 -4.685 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -10.641 1.583 -4.682 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -10.789 1.906 -2.966 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -10.453 4.038 -5.149 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -11.949 3.670 -4.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -11.077 5.459 -3.130 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -10.602 4.130 -2.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -9.481 4.886 -3.211 1.00 1.00 H new ATOM 1066 N TYR A 67 -5.616 0.198 -5.320 1.00 1.00 N ATOM 1067 CA TYR A 67 -4.938 0.401 -6.610 1.00 1.00 C ATOM 1068 C TYR A 67 -5.983 0.551 -7.717 1.00 1.00 C ATOM 1069 O TYR A 67 -6.758 -0.363 -8.004 1.00 1.00 O ATOM 1070 CB TYR A 67 -4.012 -0.798 -6.906 1.00 1.00 C ATOM 1071 CG TYR A 67 -3.205 -0.548 -8.195 1.00 1.00 C ATOM 1072 CD1 TYR A 67 -3.724 -0.930 -9.448 1.00 1.00 C ATOM 1073 CD2 TYR A 67 -1.939 0.074 -8.135 1.00 1.00 C ATOM 1074 CE1 TYR A 67 -2.987 -0.695 -10.618 1.00 1.00 C ATOM 1075 CE2 TYR A 67 -1.210 0.305 -9.310 1.00 1.00 C ATOM 1076 CZ TYR A 67 -1.733 -0.080 -10.547 1.00 1.00 C ATOM 1077 OH TYR A 67 -1.006 0.148 -11.700 1.00 1.00 O ATOM 0 H TYR A 67 -5.727 -0.779 -5.050 1.00 1.00 H new ATOM 0 HA TYR A 67 -4.334 1.307 -6.567 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -3.332 -0.956 -6.069 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -4.605 -1.706 -7.011 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -4.692 -1.405 -9.508 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.531 0.373 -7.181 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -3.389 -0.990 -11.576 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -0.242 0.782 -9.259 1.00 1.00 H new ATOM 0 HH TYR A 67 -0.159 0.584 -11.472 1.00 1.00 H new ATOM 1087 N ASN A 68 -5.997 1.720 -8.349 1.00 1.00 N ATOM 1088 CA ASN A 68 -6.957 1.995 -9.429 1.00 1.00 C ATOM 1089 C ASN A 68 -6.387 3.033 -10.391 1.00 1.00 C ATOM 1090 O ASN A 68 -5.706 3.969 -9.976 1.00 1.00 O ATOM 1091 CB ASN A 68 -8.279 2.498 -8.819 1.00 1.00 C ATOM 1092 CG ASN A 68 -9.345 2.698 -9.900 1.00 1.00 C ATOM 1093 OD1 ASN A 68 -9.357 1.983 -10.902 1.00 1.00 O ATOM 1094 ND2 ASN A 68 -10.239 3.634 -9.753 1.00 1.00 N ATOM 0 H ASN A 68 -5.363 2.491 -8.139 1.00 1.00 H new ATOM 0 HA ASN A 68 -7.145 1.078 -9.988 1.00 1.00 H new ATOM 0 HB2 ASN A 68 -8.637 1.782 -8.079 1.00 1.00 H new ATOM 0 HB3 ASN A 68 -8.107 3.438 -8.295 1.00 1.00 H new ATOM 0 HD21 ASN A 68 -10.951 3.776 -10.469 1.00 1.00 H new ATOM 0 HD22 ASN A 68 -10.227 4.225 -8.922 1.00 1.00 H new ATOM 1101 N ASP A 69 -6.683 2.854 -11.675 1.00 1.00 N ATOM 1102 CA ASP A 69 -6.207 3.773 -12.719 1.00 1.00 C ATOM 1103 C ASP A 69 -6.357 5.244 -12.288 1.00 1.00 C ATOM 1104 O ASP A 69 -5.604 6.110 -12.736 1.00 1.00 O ATOM 1105 CB ASP A 69 -6.987 3.517 -14.024 1.00 1.00 C ATOM 1106 CG ASP A 69 -6.455 4.395 -15.166 1.00 1.00 C ATOM 1107 OD1 ASP A 69 -5.257 4.361 -15.400 1.00 1.00 O ATOM 1108 OD2 ASP A 69 -7.249 5.090 -15.779 1.00 1.00 O ATOM 0 H ASP A 69 -7.251 2.082 -12.024 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.146 3.585 -12.883 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -6.905 2.466 -14.300 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -8.046 3.723 -13.865 1.00 1.00 H new ATOM 1113 N ASP A 70 -7.324 5.524 -11.423 1.00 1.00 N ATOM 1114 CA ASP A 70 -7.569 6.880 -10.919 1.00 1.00 C ATOM 1115 C ASP A 70 -6.470 7.292 -9.929 1.00 1.00 C ATOM 1116 O ASP A 70 -5.931 8.396 -10.019 1.00 1.00 O ATOM 1117 CB ASP A 70 -8.946 6.931 -10.227 1.00 1.00 C ATOM 1118 CG ASP A 70 -10.056 6.542 -11.208 1.00 1.00 C ATOM 1119 OD1 ASP A 70 -9.919 6.847 -12.383 1.00 1.00 O ATOM 1120 OD2 ASP A 70 -11.029 5.955 -10.766 1.00 1.00 O ATOM 0 H ASP A 70 -7.963 4.822 -11.048 1.00 1.00 H new ATOM 0 HA ASP A 70 -7.557 7.576 -11.758 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -8.955 6.255 -9.372 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -9.129 7.934 -9.842 1.00 1.00 H new ATOM 1125 N ASN A 71 -6.129 6.417 -8.987 1.00 1.00 N ATOM 1126 CA ASN A 71 -5.081 6.708 -7.996 1.00 1.00 C ATOM 1127 C ASN A 71 -3.734 6.819 -8.715 1.00 1.00 C ATOM 1128 O ASN A 71 -2.866 7.607 -8.341 1.00 1.00 O ATOM 1129 CB ASN A 71 -5.038 5.605 -6.926 1.00 1.00 C ATOM 1130 CG ASN A 71 -6.362 5.561 -6.161 1.00 1.00 C ATOM 1131 OD1 ASN A 71 -6.886 4.483 -5.889 1.00 1.00 O ATOM 1132 ND2 ASN A 71 -6.935 6.678 -5.798 1.00 1.00 N ATOM 0 H ASN A 71 -6.560 5.498 -8.884 1.00 1.00 H new ATOM 0 HA ASN A 71 -5.300 7.651 -7.496 1.00 1.00 H new ATOM 0 HB2 ASN A 71 -4.848 4.640 -7.395 1.00 1.00 H new ATOM 0 HB3 ASN A 71 -4.216 5.790 -6.235 1.00 1.00 H new ATOM 0 HD21 ASN A 71 -7.818 6.656 -5.288 1.00 1.00 H new ATOM 0 HD22 ASN A 71 -6.499 7.572 -6.024 1.00 1.00 H new ATOM 1139 N VAL A 72 -3.573 6.020 -9.766 1.00 1.00 N ATOM 1140 CA VAL A 72 -2.342 6.044 -10.571 1.00 1.00 C ATOM 1141 C VAL A 72 -2.282 7.393 -11.289 1.00 1.00 C ATOM 1142 O VAL A 72 -1.234 8.035 -11.350 1.00 1.00 O ATOM 1143 CB VAL A 72 -2.342 4.871 -11.584 1.00 1.00 C ATOM 1144 CG1 VAL A 72 -1.068 4.901 -12.477 1.00 1.00 C ATOM 1145 CG2 VAL A 72 -2.392 3.530 -10.812 1.00 1.00 C ATOM 0 H VAL A 72 -4.272 5.349 -10.084 1.00 1.00 H new ATOM 0 HA VAL A 72 -1.464 5.924 -9.937 1.00 1.00 H new ATOM 0 HB VAL A 72 -3.216 4.971 -12.227 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.095 4.067 -13.178 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -1.034 5.839 -13.031 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -0.181 4.818 -11.849 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -2.392 2.702 -11.521 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -1.520 3.451 -10.162 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -3.299 3.491 -10.209 1.00 1.00 H new ATOM 1155 N LYS A 73 -3.421 7.819 -11.826 1.00 1.00 N ATOM 1156 CA LYS A 73 -3.523 9.095 -12.537 1.00 1.00 C ATOM 1157 C LYS A 73 -3.085 10.237 -11.610 1.00 1.00 C ATOM 1158 O LYS A 73 -2.389 11.153 -12.046 1.00 1.00 O ATOM 1159 CB LYS A 73 -4.979 9.293 -13.022 1.00 1.00 C ATOM 1160 CG LYS A 73 -5.128 10.548 -13.922 1.00 1.00 C ATOM 1161 CD LYS A 73 -6.623 10.796 -14.290 1.00 1.00 C ATOM 1162 CE LYS A 73 -7.204 9.662 -15.172 1.00 1.00 C ATOM 1163 NZ LYS A 73 -8.502 10.117 -15.751 1.00 1.00 N ATOM 0 H LYS A 73 -4.295 7.296 -11.783 1.00 1.00 H new ATOM 0 HA LYS A 73 -2.866 9.094 -13.407 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -5.300 8.410 -13.575 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -5.639 9.386 -12.159 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -4.727 11.420 -13.406 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -4.542 10.419 -14.832 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -7.211 10.881 -13.376 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -6.713 11.746 -14.817 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -6.504 9.408 -15.968 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -7.352 8.760 -14.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -8.901 9.362 -16.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -9.166 10.339 -14.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -8.345 10.967 -16.330 1.00 1.00 H new ATOM 1177 N ARG A 74 -3.469 10.177 -10.339 1.00 1.00 N ATOM 1178 CA ARG A 74 -3.086 11.210 -9.364 1.00 1.00 C ATOM 1179 C ARG A 74 -1.559 11.233 -9.220 1.00 1.00 C ATOM 1180 O ARG A 74 -0.956 12.297 -9.078 1.00 1.00 O ATOM 1181 CB ARG A 74 -3.753 10.939 -7.989 1.00 1.00 C ATOM 1182 CG ARG A 74 -5.280 11.190 -8.070 1.00 1.00 C ATOM 1183 CD ARG A 74 -5.949 10.894 -6.714 1.00 1.00 C ATOM 1184 NE ARG A 74 -5.431 11.812 -5.686 1.00 1.00 N ATOM 1185 CZ ARG A 74 -5.796 13.103 -5.624 1.00 1.00 C ATOM 1186 NH1 ARG A 74 -6.649 13.597 -6.482 1.00 1.00 N ATOM 1187 NH2 ARG A 74 -5.297 13.871 -4.694 1.00 1.00 N ATOM 0 H ARG A 74 -4.044 9.428 -9.954 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.430 12.181 -9.721 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.563 9.911 -7.682 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -3.312 11.585 -7.230 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -5.470 12.224 -8.357 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.718 10.559 -8.843 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -7.030 11.004 -6.801 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -5.757 9.862 -6.422 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.771 11.454 -4.996 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -7.045 13.001 -7.209 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -6.919 14.579 -6.425 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.634 13.490 -4.019 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.570 14.852 -4.642 1.00 1.00 H new ATOM 1201 N ARG A 75 -0.931 10.062 -9.261 1.00 1.00 N ATOM 1202 CA ARG A 75 0.534 9.967 -9.158 1.00 1.00 C ATOM 1203 C ARG A 75 1.149 10.603 -10.409 1.00 1.00 C ATOM 1204 O ARG A 75 2.175 11.281 -10.343 1.00 1.00 O ATOM 1205 CB ARG A 75 0.986 8.492 -9.006 1.00 1.00 C ATOM 1206 CG ARG A 75 2.518 8.410 -8.778 1.00 1.00 C ATOM 1207 CD ARG A 75 2.956 6.949 -8.568 1.00 1.00 C ATOM 1208 NE ARG A 75 2.695 6.171 -9.788 1.00 1.00 N ATOM 1209 CZ ARG A 75 3.455 6.286 -10.885 1.00 1.00 C ATOM 1210 NH1 ARG A 75 4.476 7.105 -10.903 1.00 1.00 N ATOM 1211 NH2 ARG A 75 3.176 5.581 -11.945 1.00 1.00 N ATOM 0 H ARG A 75 -1.405 9.165 -9.364 1.00 1.00 H new ATOM 0 HA ARG A 75 0.875 10.499 -8.270 1.00 1.00 H new ATOM 0 HB2 ARG A 75 0.463 8.031 -8.168 1.00 1.00 H new ATOM 0 HB3 ARG A 75 0.715 7.929 -9.900 1.00 1.00 H new ATOM 0 HG2 ARG A 75 3.042 8.833 -9.635 1.00 1.00 H new ATOM 0 HG3 ARG A 75 2.794 9.007 -7.909 1.00 1.00 H new ATOM 0 HD2 ARG A 75 4.017 6.910 -8.321 1.00 1.00 H new ATOM 0 HD3 ARG A 75 2.416 6.515 -7.726 1.00 1.00 H new ATOM 0 HE ARG A 75 1.908 5.522 -9.799 1.00 1.00 H new ATOM 0 HH11 ARG A 75 4.698 7.662 -10.078 1.00 1.00 H new ATOM 0 HH12 ARG A 75 5.050 7.187 -11.742 1.00 1.00 H new ATOM 0 HH21 ARG A 75 2.380 4.943 -11.938 1.00 1.00 H new ATOM 0 HH22 ARG A 75 3.754 5.667 -12.781 1.00 1.00 H new ATOM 1225 N GLN A 76 0.515 10.376 -11.554 1.00 1.00 N ATOM 1226 CA GLN A 76 0.990 10.950 -12.825 1.00 1.00 C ATOM 1227 C GLN A 76 0.855 12.478 -12.754 1.00 1.00 C ATOM 1228 O GLN A 76 1.744 13.214 -13.180 1.00 1.00 O ATOM 1229 CB GLN A 76 0.180 10.381 -14.025 1.00 1.00 C ATOM 1230 CG GLN A 76 0.455 8.861 -14.217 1.00 1.00 C ATOM 1231 CD GLN A 76 1.897 8.619 -14.683 1.00 1.00 C ATOM 1232 OE1 GLN A 76 2.325 9.186 -15.689 1.00 1.00 O ATOM 1233 NE2 GLN A 76 2.674 7.815 -14.007 1.00 1.00 N ATOM 0 H GLN A 76 -0.325 9.803 -11.637 1.00 1.00 H new ATOM 0 HA GLN A 76 2.035 10.681 -12.979 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -0.885 10.543 -13.858 1.00 1.00 H new ATOM 0 HB3 GLN A 76 0.445 10.919 -14.935 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.279 8.334 -13.279 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.241 8.451 -14.949 1.00 1.00 H new ATOM 0 HE21 GLN A 76 2.320 7.345 -13.174 1.00 1.00 H new ATOM 0 HE22 GLN A 76 3.634 7.657 -14.313 1.00 1.00 H new ATOM 1242 N GLU A 77 -0.260 12.945 -12.202 1.00 1.00 N ATOM 1243 CA GLU A 77 -0.486 14.400 -12.050 1.00 1.00 C ATOM 1244 C GLU A 77 0.619 14.983 -11.153 1.00 1.00 C ATOM 1245 O GLU A 77 1.270 15.965 -11.509 1.00 1.00 O ATOM 1246 CB GLU A 77 -1.879 14.672 -11.420 1.00 1.00 C ATOM 1247 CG GLU A 77 -3.018 14.374 -12.431 1.00 1.00 C ATOM 1248 CD GLU A 77 -4.398 14.551 -11.778 1.00 1.00 C ATOM 1249 OE1 GLU A 77 -4.456 14.928 -10.614 1.00 1.00 O ATOM 1250 OE2 GLU A 77 -5.383 14.306 -12.457 1.00 1.00 O ATOM 0 H GLU A 77 -1.018 12.358 -11.854 1.00 1.00 H new ATOM 0 HA GLU A 77 -0.457 14.874 -13.031 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -2.007 14.054 -10.531 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -1.938 15.711 -11.097 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -2.930 15.040 -13.289 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.918 13.356 -12.807 1.00 1.00 H new ATOM 1257 N LEU A 78 0.828 14.357 -10.000 1.00 1.00 N ATOM 1258 CA LEU A 78 1.858 14.784 -9.046 1.00 1.00 C ATOM 1259 C LEU A 78 3.244 14.688 -9.703 1.00 1.00 C ATOM 1260 O LEU A 78 4.099 15.551 -9.508 1.00 1.00 O ATOM 1261 CB LEU A 78 1.780 13.882 -7.780 1.00 1.00 C ATOM 1262 CG LEU A 78 0.473 14.159 -6.940 1.00 1.00 C ATOM 1263 CD1 LEU A 78 0.216 12.985 -5.959 1.00 1.00 C ATOM 1264 CD2 LEU A 78 0.597 15.477 -6.111 1.00 1.00 C ATOM 0 H LEU A 78 0.294 13.543 -9.697 1.00 1.00 H new ATOM 0 HA LEU A 78 1.692 15.820 -8.752 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.804 12.834 -8.079 1.00 1.00 H new ATOM 0 HB3 LEU A 78 2.656 14.056 -7.156 1.00 1.00 H new ATOM 0 HG LEU A 78 -0.354 14.258 -7.643 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -0.688 13.184 -5.383 1.00 1.00 H new ATOM 0 HD12 LEU A 78 0.091 12.060 -6.523 1.00 1.00 H new ATOM 0 HD13 LEU A 78 1.064 12.885 -5.281 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -0.320 15.638 -5.544 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.439 15.397 -5.424 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.759 16.318 -6.786 1.00 1.00 H new ATOM 1276 N ALA A 79 3.456 13.639 -10.492 1.00 1.00 N ATOM 1277 CA ALA A 79 4.741 13.446 -11.185 1.00 1.00 C ATOM 1278 C ALA A 79 5.007 14.620 -12.139 1.00 1.00 C ATOM 1279 O ALA A 79 6.118 15.152 -12.186 1.00 1.00 O ATOM 1280 CB ALA A 79 4.724 12.119 -11.954 1.00 1.00 C ATOM 0 H ALA A 79 2.765 12.910 -10.671 1.00 1.00 H new ATOM 0 HA ALA A 79 5.544 13.412 -10.448 1.00 1.00 H new ATOM 0 HB1 ALA A 79 5.677 11.982 -12.464 1.00 1.00 H new ATOM 0 HB2 ALA A 79 4.564 11.296 -11.257 1.00 1.00 H new ATOM 0 HB3 ALA A 79 3.918 12.134 -12.688 1.00 1.00 H new ATOM 1286 N ARG A 80 3.981 15.042 -12.870 1.00 1.00 N ATOM 1287 CA ARG A 80 4.096 16.175 -13.802 1.00 1.00 C ATOM 1288 C ARG A 80 4.281 17.463 -13.006 1.00 1.00 C ATOM 1289 O ARG A 80 5.085 18.321 -13.370 1.00 1.00 O ATOM 1290 CB ARG A 80 2.815 16.259 -14.679 1.00 1.00 C ATOM 1291 CG ARG A 80 2.775 15.084 -15.689 1.00 1.00 C ATOM 1292 CD ARG A 80 1.463 15.115 -16.494 1.00 1.00 C ATOM 1293 NE ARG A 80 1.377 16.365 -17.262 1.00 1.00 N ATOM 1294 CZ ARG A 80 2.100 16.574 -18.371 1.00 1.00 C ATOM 1295 NH1 ARG A 80 2.906 15.647 -18.821 1.00 1.00 N ATOM 1296 NH2 ARG A 80 2.000 17.708 -19.006 1.00 1.00 N ATOM 0 H ARG A 80 3.053 14.619 -12.840 1.00 1.00 H new ATOM 0 HA ARG A 80 4.958 16.033 -14.454 1.00 1.00 H new ATOM 0 HB2 ARG A 80 1.929 16.232 -14.044 1.00 1.00 H new ATOM 0 HB3 ARG A 80 2.794 17.208 -15.214 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.627 15.149 -16.366 1.00 1.00 H new ATOM 0 HG3 ARG A 80 2.861 14.136 -15.158 1.00 1.00 H new ATOM 0 HD2 ARG A 80 1.420 14.260 -17.168 1.00 1.00 H new ATOM 0 HD3 ARG A 80 0.610 15.033 -15.820 1.00 1.00 H new ATOM 0 HE ARG A 80 0.746 17.099 -16.940 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.987 14.758 -18.327 1.00 1.00 H new ATOM 0 HH12 ARG A 80 3.453 15.813 -19.666 1.00 1.00 H new ATOM 0 HH21 ARG A 80 1.373 18.433 -18.659 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.549 17.870 -19.850 1.00 1.00 H new ATOM 1310 N GLN A 81 3.545 17.591 -11.908 1.00 1.00 N ATOM 1311 CA GLN A 81 3.625 18.777 -11.048 1.00 1.00 C ATOM 1312 C GLN A 81 5.069 18.987 -10.569 1.00 1.00 C ATOM 1313 O GLN A 81 5.578 20.108 -10.563 1.00 1.00 O ATOM 1314 CB GLN A 81 2.668 18.594 -9.842 1.00 1.00 C ATOM 1315 CG GLN A 81 2.550 19.889 -8.991 1.00 1.00 C ATOM 1316 CD GLN A 81 1.861 21.001 -9.781 1.00 1.00 C ATOM 1317 OE1 GLN A 81 2.430 22.078 -9.967 1.00 1.00 O ATOM 1318 NE2 GLN A 81 0.666 20.795 -10.258 1.00 1.00 N ATOM 0 H GLN A 81 2.881 16.886 -11.587 1.00 1.00 H new ATOM 0 HA GLN A 81 3.325 19.660 -11.611 1.00 1.00 H new ATOM 0 HB2 GLN A 81 1.681 18.306 -10.203 1.00 1.00 H new ATOM 0 HB3 GLN A 81 3.028 17.779 -9.214 1.00 1.00 H new ATOM 0 HG2 GLN A 81 1.986 19.681 -8.082 1.00 1.00 H new ATOM 0 HG3 GLN A 81 3.542 20.218 -8.683 1.00 1.00 H new ATOM 0 HE21 GLN A 81 0.201 19.901 -10.100 1.00 1.00 H new ATOM 0 HE22 GLN A 81 0.196 21.528 -10.789 1.00 1.00 H new ATOM 1327 N CYS A 82 5.730 17.901 -10.183 1.00 1.00 N ATOM 1328 CA CYS A 82 7.114 17.947 -9.715 1.00 1.00 C ATOM 1329 C CYS A 82 8.044 18.361 -10.854 1.00 1.00 C ATOM 1330 O CYS A 82 9.088 18.973 -10.624 1.00 1.00 O ATOM 1331 CB CYS A 82 7.524 16.564 -9.178 1.00 1.00 C ATOM 1332 SG CYS A 82 6.493 16.149 -7.751 1.00 1.00 S ATOM 0 H CYS A 82 5.324 16.965 -10.185 1.00 1.00 H new ATOM 0 HA CYS A 82 7.194 18.683 -8.915 1.00 1.00 H new ATOM 0 HB2 CYS A 82 7.409 15.810 -9.956 1.00 1.00 H new ATOM 0 HB3 CYS A 82 8.576 16.569 -8.892 1.00 1.00 H new ATOM 0 HG CYS A 82 5.309 15.800 -8.158 1.00 1.00 H new