USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 694 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 53 GLN : amide:sc= 0.00373 K(o=-1.9,f=-4.2!) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= -1.9 USER MOD Set 2.1: A 52 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.025) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0.0193 X(o=0.019,f=-0.14) USER MOD Single : A 32 THR OG1 : rot 89:sc= 0.00837 USER MOD Single : A 34 HIS : no HE2:sc= -6.37! C(o=-6.4!,f=-3.3!) USER MOD Single : A 35 ASN : amide:sc= -6.52! C(o=-6.5!,f=-3.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.312 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 35:sc= 0.609 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0109 (180deg=-0.207) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.181 (180deg=-0.829) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -161:sc= -3.52! (180deg=-4.75!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.081 -4.110 1.529 1.00 0.00 N ATOM 148 CA GLU A 13 -12.776 -3.476 2.632 1.00 0.00 C ATOM 149 C GLU A 13 -12.143 -2.126 2.938 1.00 0.00 C ATOM 150 O GLU A 13 -11.023 -2.061 3.439 1.00 0.00 O ATOM 151 CB GLU A 13 -12.723 -4.388 3.855 1.00 0.00 C ATOM 152 CG GLU A 13 -13.990 -5.235 3.913 1.00 0.00 C ATOM 153 CD GLU A 13 -15.165 -4.419 4.434 1.00 0.00 C ATOM 154 OE1 GLU A 13 -15.665 -3.581 3.652 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.541 -4.648 5.604 1.00 0.00 O ATOM 0 HA GLU A 13 -13.819 -3.310 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.845 -5.031 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.629 -3.792 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.221 -5.620 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.826 -6.098 4.559 1.00 0.00 H new ATOM 162 N PRO A 14 -12.867 -1.046 2.635 1.00 0.00 N ATOM 163 CA PRO A 14 -12.431 0.316 2.855 1.00 0.00 C ATOM 164 C PRO A 14 -12.462 0.626 4.345 1.00 0.00 C ATOM 165 O PRO A 14 -13.524 0.603 4.964 1.00 0.00 O ATOM 166 CB PRO A 14 -13.438 1.177 2.095 1.00 0.00 C ATOM 167 CG PRO A 14 -14.716 0.341 2.161 1.00 0.00 C ATOM 168 CD PRO A 14 -14.188 -1.087 2.044 1.00 0.00 C ATOM 0 HA PRO A 14 -11.412 0.497 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.569 2.153 2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.124 1.355 1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.255 0.498 3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.403 0.587 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.834 -1.791 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.145 -1.408 1.003 1.00 0.00 H new ATOM 176 N VAL A 15 -11.293 0.917 4.920 1.00 0.00 N ATOM 177 CA VAL A 15 -11.190 1.228 6.331 1.00 0.00 C ATOM 178 C VAL A 15 -9.759 1.620 6.670 1.00 0.00 C ATOM 179 O VAL A 15 -8.968 1.921 5.780 1.00 0.00 O ATOM 180 CB VAL A 15 -11.629 0.018 7.151 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.470 -0.967 7.265 1.00 0.00 C ATOM 182 CG2 VAL A 15 -12.048 0.474 8.546 1.00 0.00 C ATOM 0 H VAL A 15 -10.405 0.941 4.419 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.842 2.068 6.571 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.472 -0.468 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.783 -1.831 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.170 -1.293 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.627 -0.482 7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.362 -0.390 9.132 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.206 0.960 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.876 1.178 8.465 1.00 0.00 H new ATOM 192 N GLY A 16 -9.427 1.613 7.964 1.00 0.00 N ATOM 193 CA GLY A 16 -8.094 1.967 8.409 1.00 0.00 C ATOM 194 C GLY A 16 -7.816 3.437 8.124 1.00 0.00 C ATOM 195 O GLY A 16 -8.140 3.937 7.049 1.00 0.00 O ATOM 0 H GLY A 16 -10.070 1.364 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.996 1.771 9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.356 1.345 7.902 1.00 0.00 H new ATOM 199 N ASN A 17 -7.213 4.128 9.093 1.00 0.00 N ATOM 200 CA ASN A 17 -6.893 5.533 8.943 1.00 0.00 C ATOM 201 C ASN A 17 -5.428 5.771 9.280 1.00 0.00 C ATOM 202 O ASN A 17 -4.586 4.907 9.053 1.00 0.00 O ATOM 203 CB ASN A 17 -7.799 6.359 9.853 1.00 0.00 C ATOM 204 CG ASN A 17 -9.037 6.831 9.105 1.00 0.00 C ATOM 205 OD1 ASN A 17 -10.014 6.094 8.992 1.00 0.00 O ATOM 206 ND2 ASN A 17 -8.995 8.063 8.594 1.00 0.00 N ATOM 0 H ASN A 17 -6.939 3.728 9.990 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.059 5.839 7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.096 5.762 10.715 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.250 7.220 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.797 8.431 8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.160 8.637 8.714 1.00 0.00 H new ATOM 213 N GLU A 18 -5.126 6.952 9.824 1.00 0.00 N ATOM 214 CA GLU A 18 -3.768 7.298 10.191 1.00 0.00 C ATOM 215 C GLU A 18 -3.489 6.864 11.623 1.00 0.00 C ATOM 216 O GLU A 18 -2.348 6.573 11.977 1.00 0.00 O ATOM 217 CB GLU A 18 -3.565 8.802 10.033 1.00 0.00 C ATOM 218 CG GLU A 18 -4.465 9.542 11.019 1.00 0.00 C ATOM 219 CD GLU A 18 -4.248 11.045 10.929 1.00 0.00 C ATOM 220 OE1 GLU A 18 -4.803 11.643 9.983 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.530 11.568 11.810 1.00 0.00 O ATOM 0 H GLU A 18 -5.813 7.681 10.017 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.070 6.779 9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.521 9.060 10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.798 9.106 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.509 9.308 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.258 9.201 12.033 1.00 0.00 H new ATOM 228 N ASN A 19 -4.538 6.819 12.448 1.00 0.00 N ATOM 229 CA ASN A 19 -4.403 6.420 13.834 1.00 0.00 C ATOM 230 C ASN A 19 -3.814 5.018 13.915 1.00 0.00 C ATOM 231 O ASN A 19 -3.205 4.653 14.919 1.00 0.00 O ATOM 232 CB ASN A 19 -5.768 6.472 14.513 1.00 0.00 C ATOM 233 CG ASN A 19 -5.796 7.540 15.597 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.764 7.223 16.784 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.852 8.809 15.187 1.00 0.00 N ATOM 0 H ASN A 19 -5.490 7.057 12.170 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.729 7.105 14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.539 6.680 13.772 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.999 5.500 14.949 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.870 9.566 15.871 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.877 9.022 14.190 1.00 0.00 H new ATOM 242 N ASP A 20 -3.996 4.232 12.852 1.00 0.00 N ATOM 243 CA ASP A 20 -3.485 2.877 12.807 1.00 0.00 C ATOM 244 C ASP A 20 -2.039 2.888 12.333 1.00 0.00 C ATOM 245 O ASP A 20 -1.776 2.776 11.135 1.00 0.00 O ATOM 246 CB ASP A 20 -4.353 2.038 11.873 1.00 0.00 C ATOM 247 CG ASP A 20 -5.788 2.546 11.863 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.003 3.627 11.273 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.643 1.843 12.444 1.00 0.00 O ATOM 0 H ASP A 20 -4.497 4.520 12.011 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.517 2.438 13.804 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.944 2.071 10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.334 0.996 12.191 1.00 0.00 H new ATOM 254 N LEU A 21 -1.103 3.025 13.273 1.00 0.00 N ATOM 255 CA LEU A 21 0.324 3.063 12.955 1.00 0.00 C ATOM 256 C LEU A 21 0.709 2.002 11.921 1.00 0.00 C ATOM 257 O LEU A 21 1.446 2.285 10.976 1.00 0.00 O ATOM 258 CB LEU A 21 1.141 2.866 14.234 1.00 0.00 C ATOM 259 CG LEU A 21 0.895 1.527 14.960 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.199 0.935 15.488 1.00 0.00 C ATOM 261 CD2 LEU A 21 -0.102 1.700 16.099 1.00 0.00 C ATOM 0 H LEU A 21 -1.310 3.112 14.268 1.00 0.00 H new ATOM 0 HA LEU A 21 0.543 4.038 12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.200 2.940 13.987 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.917 3.682 14.921 1.00 0.00 H new ATOM 0 HG LEU A 21 0.475 0.833 14.232 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.992 -0.008 15.994 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.881 0.758 14.657 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.656 1.631 16.191 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.258 0.742 16.595 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.288 2.421 16.818 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.050 2.061 15.701 1.00 0.00 H new ATOM 273 N HIS A 22 0.204 0.780 12.119 1.00 0.00 N ATOM 274 CA HIS A 22 0.473 -0.341 11.217 1.00 0.00 C ATOM 275 C HIS A 22 0.127 0.043 9.766 1.00 0.00 C ATOM 276 O HIS A 22 0.973 -0.106 8.883 1.00 0.00 O ATOM 277 CB HIS A 22 -0.311 -1.582 11.660 1.00 0.00 C ATOM 278 CG HIS A 22 0.180 -2.847 11.025 1.00 0.00 C ATOM 279 ND1 HIS A 22 1.141 -3.653 11.598 1.00 0.00 N ATOM 280 CD2 HIS A 22 -0.154 -3.440 9.853 1.00 0.00 C ATOM 281 CE1 HIS A 22 1.378 -4.686 10.808 1.00 0.00 C ATOM 282 NE2 HIS A 22 0.605 -4.580 9.745 1.00 0.00 N ATOM 0 H HIS A 22 -0.400 0.542 12.906 1.00 0.00 H new ATOM 0 HA HIS A 22 1.536 -0.579 11.260 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.245 -1.678 12.744 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.364 -1.445 11.415 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.881 -3.083 9.138 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.084 -5.481 11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.575 -5.239 8.967 1.00 0.00 H new ATOM 291 N LEU A 23 -1.098 0.514 9.528 1.00 0.00 N ATOM 292 CA LEU A 23 -1.544 0.885 8.186 1.00 0.00 C ATOM 293 C LEU A 23 -0.561 1.834 7.495 1.00 0.00 C ATOM 294 O LEU A 23 -0.047 1.541 6.418 1.00 0.00 O ATOM 295 CB LEU A 23 -2.928 1.536 8.266 1.00 0.00 C ATOM 296 CG LEU A 23 -4.050 0.613 8.785 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.832 -0.011 7.632 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.483 -0.478 9.687 1.00 0.00 C ATOM 0 H LEU A 23 -1.803 0.648 10.253 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.594 -0.026 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.866 2.409 8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.203 1.895 7.274 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.735 1.227 9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.615 -0.656 8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.283 0.777 7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.157 -0.601 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.293 -1.116 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.767 -1.078 9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.983 -0.021 10.541 1.00 0.00 H new ATOM 310 N VAL A 24 -0.309 2.980 8.132 1.00 0.00 N ATOM 311 CA VAL A 24 0.597 3.972 7.591 1.00 0.00 C ATOM 312 C VAL A 24 1.944 3.329 7.290 1.00 0.00 C ATOM 313 O VAL A 24 2.511 3.542 6.221 1.00 0.00 O ATOM 314 CB VAL A 24 0.756 5.114 8.591 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.101 5.801 8.371 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.371 6.124 8.389 1.00 0.00 C ATOM 0 H VAL A 24 -0.726 3.236 9.027 1.00 0.00 H new ATOM 0 HA VAL A 24 0.191 4.373 6.662 1.00 0.00 H new ATOM 0 HB VAL A 24 0.714 4.718 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.214 6.617 9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.906 5.080 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.145 6.198 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.260 6.941 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.327 6.520 7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.332 5.634 8.546 1.00 0.00 H new ATOM 326 N ASP A 25 2.455 2.537 8.236 1.00 0.00 N ATOM 327 CA ASP A 25 3.730 1.870 8.068 1.00 0.00 C ATOM 328 C ASP A 25 3.827 1.294 6.662 1.00 0.00 C ATOM 329 O ASP A 25 4.854 1.444 6.000 1.00 0.00 O ATOM 330 CB ASP A 25 3.867 0.768 9.115 1.00 0.00 C ATOM 331 CG ASP A 25 5.278 0.197 9.121 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.200 0.967 9.468 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.408 -0.999 8.780 1.00 0.00 O ATOM 0 H ASP A 25 1.996 2.347 9.127 1.00 0.00 H new ATOM 0 HA ASP A 25 4.542 2.585 8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.627 1.166 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.150 -0.026 8.909 1.00 0.00 H new ATOM 338 N LEU A 26 2.760 0.636 6.211 1.00 0.00 N ATOM 339 CA LEU A 26 2.724 0.022 4.882 1.00 0.00 C ATOM 340 C LEU A 26 2.956 1.049 3.771 1.00 0.00 C ATOM 341 O LEU A 26 3.831 0.883 2.926 1.00 0.00 O ATOM 342 CB LEU A 26 1.379 -0.678 4.676 1.00 0.00 C ATOM 343 CG LEU A 26 1.030 -1.740 5.738 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.633 -3.064 5.091 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.196 -1.953 6.698 1.00 0.00 C ATOM 0 H LEU A 26 1.903 0.513 6.750 1.00 0.00 H new ATOM 0 HA LEU A 26 3.533 -0.706 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.592 0.076 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.380 -1.153 3.695 1.00 0.00 H new ATOM 0 HG LEU A 26 0.176 -1.368 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.393 -3.791 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.239 -2.911 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.461 -3.437 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.925 -2.707 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.070 -2.290 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.427 -1.015 7.203 1.00 0.00 H new ATOM 357 N ALA A 27 2.150 2.114 3.783 1.00 0.00 N ATOM 358 CA ALA A 27 2.253 3.161 2.787 1.00 0.00 C ATOM 359 C ALA A 27 3.610 3.842 2.893 1.00 0.00 C ATOM 360 O ALA A 27 4.344 3.925 1.911 1.00 0.00 O ATOM 361 CB ALA A 27 1.125 4.168 2.990 1.00 0.00 C ATOM 0 H ALA A 27 1.419 2.266 4.478 1.00 0.00 H new ATOM 0 HA ALA A 27 2.162 2.730 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.202 4.956 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.164 3.663 2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.202 4.605 3.986 1.00 0.00 H new ATOM 367 N ARG A 28 3.941 4.332 4.090 1.00 0.00 N ATOM 368 CA ARG A 28 5.205 5.004 4.319 1.00 0.00 C ATOM 369 C ARG A 28 6.354 4.086 3.929 1.00 0.00 C ATOM 370 O ARG A 28 7.387 4.549 3.448 1.00 0.00 O ATOM 371 CB ARG A 28 5.307 5.406 5.787 1.00 0.00 C ATOM 372 CG ARG A 28 4.727 6.804 5.973 1.00 0.00 C ATOM 373 CD ARG A 28 5.837 7.766 6.388 1.00 0.00 C ATOM 374 NE ARG A 28 6.198 7.576 7.793 1.00 0.00 N ATOM 375 CZ ARG A 28 7.301 8.109 8.338 1.00 0.00 C ATOM 376 NH1 ARG A 28 8.127 8.850 7.588 1.00 0.00 N ATOM 377 NH2 ARG A 28 7.577 7.899 9.632 1.00 0.00 N ATOM 0 H ARG A 28 3.343 4.271 4.914 1.00 0.00 H new ATOM 0 HA ARG A 28 5.261 5.903 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.768 4.691 6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.348 5.387 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.265 7.144 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.944 6.786 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.713 7.609 5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.511 8.794 6.229 1.00 0.00 H new ATOM 0 HE ARG A 28 5.584 7.014 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.917 9.009 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.966 9.256 8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.948 7.334 10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.416 8.304 10.047 1.00 0.00 H new ATOM 391 N PHE A 29 6.174 2.779 4.138 1.00 0.00 N ATOM 392 CA PHE A 29 7.195 1.807 3.808 1.00 0.00 C ATOM 393 C PHE A 29 7.466 1.830 2.310 1.00 0.00 C ATOM 394 O PHE A 29 8.616 1.924 1.886 1.00 0.00 O ATOM 395 CB PHE A 29 6.739 0.420 4.254 1.00 0.00 C ATOM 396 CG PHE A 29 7.312 -0.701 3.421 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.691 -0.762 3.185 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.466 -1.677 2.883 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.223 -1.800 2.410 1.00 0.00 C ATOM 400 CE2 PHE A 29 6.997 -2.716 2.108 1.00 0.00 C ATOM 401 CZ PHE A 29 8.376 -2.777 1.873 1.00 0.00 C ATOM 0 H PHE A 29 5.325 2.378 4.536 1.00 0.00 H new ATOM 0 HA PHE A 29 8.120 2.056 4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.024 0.270 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.651 0.373 4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.344 -0.009 3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.403 -1.629 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.286 -1.847 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.344 -3.469 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.787 -3.578 1.277 1.00 0.00 H new ATOM 411 N ALA A 30 6.402 1.742 1.509 1.00 0.00 N ATOM 412 CA ALA A 30 6.529 1.752 0.065 1.00 0.00 C ATOM 413 C ALA A 30 7.463 2.874 -0.362 1.00 0.00 C ATOM 414 O ALA A 30 8.563 2.619 -0.847 1.00 0.00 O ATOM 415 CB ALA A 30 5.150 1.926 -0.564 1.00 0.00 C ATOM 0 H ALA A 30 5.442 1.663 1.846 1.00 0.00 H new ATOM 0 HA ALA A 30 6.952 0.806 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.244 1.934 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.505 1.101 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.714 2.868 -0.231 1.00 0.00 H new ATOM 421 N VAL A 31 7.021 4.121 -0.181 1.00 0.00 N ATOM 422 CA VAL A 31 7.817 5.276 -0.548 1.00 0.00 C ATOM 423 C VAL A 31 9.274 5.034 -0.181 1.00 0.00 C ATOM 424 O VAL A 31 10.170 5.296 -0.979 1.00 0.00 O ATOM 425 CB VAL A 31 7.277 6.512 0.164 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.593 7.755 -0.663 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.766 6.384 0.330 1.00 0.00 C ATOM 0 H VAL A 31 6.111 4.348 0.220 1.00 0.00 H new ATOM 0 HA VAL A 31 7.756 5.439 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 31 7.745 6.599 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.207 8.638 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.672 7.848 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.125 7.668 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.380 7.267 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.298 6.297 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.539 5.497 0.921 1.00 0.00 H new ATOM 437 N THR A 32 9.509 4.532 1.034 1.00 0.00 N ATOM 438 CA THR A 32 10.855 4.258 1.496 1.00 0.00 C ATOM 439 C THR A 32 11.512 3.219 0.598 1.00 0.00 C ATOM 440 O THR A 32 12.468 3.522 -0.111 1.00 0.00 O ATOM 441 CB THR A 32 10.805 3.769 2.941 1.00 0.00 C ATOM 442 OG1 THR A 32 10.602 4.867 3.802 1.00 0.00 O ATOM 443 CG2 THR A 32 12.123 3.085 3.293 1.00 0.00 C ATOM 0 H THR A 32 8.778 4.310 1.710 1.00 0.00 H new ATOM 0 HA THR A 32 11.449 5.171 1.453 1.00 0.00 H new ATOM 0 HB THR A 32 9.985 3.060 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.641 5.023 3.913 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.087 2.736 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.281 2.236 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.943 3.794 3.178 1.00 0.00 H new ATOM 451 N GLU A 33 10.992 1.990 0.631 1.00 0.00 N ATOM 452 CA GLU A 33 11.528 0.915 -0.180 1.00 0.00 C ATOM 453 C GLU A 33 11.850 1.428 -1.577 1.00 0.00 C ATOM 454 O GLU A 33 12.986 1.304 -2.033 1.00 0.00 O ATOM 455 CB GLU A 33 10.517 -0.226 -0.242 1.00 0.00 C ATOM 456 CG GLU A 33 11.091 -1.370 -1.073 1.00 0.00 C ATOM 457 CD GLU A 33 11.697 -2.441 -0.177 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.505 -2.058 0.697 1.00 0.00 O ATOM 459 OE2 GLU A 33 11.342 -3.621 -0.383 1.00 0.00 O ATOM 0 H GLU A 33 10.199 1.723 1.214 1.00 0.00 H new ATOM 0 HA GLU A 33 12.450 0.544 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.284 -0.575 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.583 0.125 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.305 -1.807 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.852 -0.985 -1.752 1.00 0.00 H new ATOM 466 N HIS A 34 10.846 2.003 -2.248 1.00 0.00 N ATOM 467 CA HIS A 34 11.011 2.553 -3.595 1.00 0.00 C ATOM 468 C HIS A 34 12.183 3.552 -3.627 1.00 0.00 C ATOM 469 O HIS A 34 13.033 3.460 -4.509 1.00 0.00 O ATOM 470 CB HIS A 34 9.709 3.215 -4.062 1.00 0.00 C ATOM 471 CG HIS A 34 9.701 3.528 -5.528 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.650 3.204 -6.359 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.627 4.129 -6.313 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.929 3.592 -7.592 1.00 0.00 C ATOM 475 NE2 HIS A 34 10.121 4.157 -7.589 1.00 0.00 N ATOM 0 H HIS A 34 9.902 2.099 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 34 11.243 1.739 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.871 2.557 -3.833 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.554 4.136 -3.499 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.791 2.738 -6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.584 4.514 -5.995 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.290 3.468 -8.454 1.00 0.00 H new ATOM 484 N ASN A 35 12.214 4.499 -2.685 1.00 0.00 N ATOM 485 CA ASN A 35 13.266 5.494 -2.638 1.00 0.00 C ATOM 486 C ASN A 35 14.621 4.811 -2.525 1.00 0.00 C ATOM 487 O ASN A 35 15.652 5.414 -2.819 1.00 0.00 O ATOM 488 CB ASN A 35 13.030 6.426 -1.453 1.00 0.00 C ATOM 489 CG ASN A 35 11.916 7.418 -1.756 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.713 8.373 -1.009 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.193 7.191 -2.855 1.00 0.00 N ATOM 0 H ASN A 35 11.516 4.590 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 35 13.255 6.082 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.771 5.841 -0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.949 6.965 -1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.434 7.824 -3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.400 6.384 -3.444 1.00 0.00 H new ATOM 498 N LYS A 36 14.618 3.546 -2.098 1.00 0.00 N ATOM 499 CA LYS A 36 15.844 2.788 -1.949 1.00 0.00 C ATOM 500 C LYS A 36 16.276 2.233 -3.298 1.00 0.00 C ATOM 501 O LYS A 36 17.442 2.344 -3.674 1.00 0.00 O ATOM 502 CB LYS A 36 15.624 1.659 -0.946 1.00 0.00 C ATOM 503 CG LYS A 36 16.655 1.766 0.174 1.00 0.00 C ATOM 504 CD LYS A 36 16.310 0.773 1.281 1.00 0.00 C ATOM 505 CE LYS A 36 17.468 0.694 2.271 1.00 0.00 C ATOM 506 NZ LYS A 36 17.002 0.241 3.592 1.00 0.00 N ATOM 0 H LYS A 36 13.773 3.031 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 36 16.635 3.439 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.616 1.715 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.711 0.693 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.652 1.561 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.670 2.780 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.400 1.085 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.114 -0.211 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.227 0.008 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.940 1.672 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.808 0.195 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.295 0.910 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.573 -0.703 3.504 1.00 0.00 H new ATOM 520 N LYS A 37 15.333 1.634 -4.028 1.00 0.00 N ATOM 521 CA LYS A 37 15.621 1.065 -5.329 1.00 0.00 C ATOM 522 C LYS A 37 15.437 2.123 -6.409 1.00 0.00 C ATOM 523 O LYS A 37 15.499 1.818 -7.597 1.00 0.00 O ATOM 524 CB LYS A 37 14.701 -0.126 -5.578 1.00 0.00 C ATOM 525 CG LYS A 37 15.241 -0.952 -6.742 1.00 0.00 C ATOM 526 CD LYS A 37 15.736 -2.299 -6.225 1.00 0.00 C ATOM 527 CE LYS A 37 15.861 -3.277 -7.391 1.00 0.00 C ATOM 528 NZ LYS A 37 17.249 -3.348 -7.873 1.00 0.00 N ATOM 0 H LYS A 37 14.362 1.535 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 37 16.655 0.721 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.635 -0.742 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.692 0.221 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.461 -1.102 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.054 -0.418 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.701 -2.179 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.044 -2.691 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.530 -4.267 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.205 -2.965 -8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.307 -4.019 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.554 -2.407 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.868 -3.668 -7.101 1.00 0.00 H new ATOM 542 N ALA A 38 15.209 3.370 -5.990 1.00 0.00 N ATOM 543 CA ALA A 38 15.016 4.466 -6.918 1.00 0.00 C ATOM 544 C ALA A 38 15.680 5.723 -6.377 1.00 0.00 C ATOM 545 O ALA A 38 15.367 6.829 -6.811 1.00 0.00 O ATOM 546 CB ALA A 38 13.522 4.692 -7.133 1.00 0.00 C ATOM 0 H ALA A 38 15.155 3.638 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 38 15.474 4.222 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.375 5.516 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.072 3.787 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.050 4.934 -6.181 1.00 0.00 H new ATOM 552 N ASN A 39 16.601 5.552 -5.427 1.00 0.00 N ATOM 553 CA ASN A 39 17.303 6.672 -4.833 1.00 0.00 C ATOM 554 C ASN A 39 16.328 7.807 -4.557 1.00 0.00 C ATOM 555 O ASN A 39 16.705 8.977 -4.591 1.00 0.00 O ATOM 556 CB ASN A 39 18.414 7.130 -5.773 1.00 0.00 C ATOM 557 CG ASN A 39 19.730 6.443 -5.435 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.482 6.923 -4.590 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.004 5.317 -6.097 1.00 0.00 N ATOM 0 H ASN A 39 16.873 4.641 -5.057 1.00 0.00 H new ATOM 0 HA ASN A 39 17.748 6.366 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.138 6.908 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.534 8.211 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.871 4.814 -5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.346 4.960 -6.790 1.00 0.00 H new ATOM 566 N SER A 40 15.070 7.459 -4.281 1.00 0.00 N ATOM 567 CA SER A 40 14.048 8.448 -3.999 1.00 0.00 C ATOM 568 C SER A 40 13.618 9.129 -5.290 1.00 0.00 C ATOM 569 O SER A 40 14.392 9.197 -6.246 1.00 0.00 O ATOM 570 CB SER A 40 14.591 9.469 -3.003 1.00 0.00 C ATOM 571 OG SER A 40 15.380 8.810 -2.038 1.00 0.00 O ATOM 0 H SER A 40 14.741 6.494 -4.249 1.00 0.00 H new ATOM 0 HA SER A 40 13.176 7.961 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.186 10.220 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.768 9.994 -2.518 1.00 0.00 H new ATOM 0 HG SER A 40 15.730 9.465 -1.399 1.00 0.00 H new ATOM 577 N LEU A 41 12.384 9.634 -5.317 1.00 0.00 N ATOM 578 CA LEU A 41 11.840 10.306 -6.497 1.00 0.00 C ATOM 579 C LEU A 41 10.686 11.246 -6.138 1.00 0.00 C ATOM 580 O LEU A 41 10.545 12.325 -6.717 1.00 0.00 O ATOM 581 CB LEU A 41 11.364 9.260 -7.509 1.00 0.00 C ATOM 582 CG LEU A 41 9.849 8.972 -7.481 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.403 8.225 -8.734 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.468 8.181 -6.235 1.00 0.00 C ATOM 0 H LEU A 41 11.738 9.589 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 41 12.634 10.912 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.637 9.594 -8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.900 8.328 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 41 9.335 9.933 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.330 8.037 -8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.625 8.827 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.935 7.276 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.395 7.991 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.005 7.232 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.732 8.754 -5.346 1.00 0.00 H new ATOM 596 N LEU A 42 9.863 10.821 -5.181 1.00 0.00 N ATOM 597 CA LEU A 42 8.706 11.603 -4.742 1.00 0.00 C ATOM 598 C LEU A 42 8.840 12.056 -3.287 1.00 0.00 C ATOM 599 O LEU A 42 9.848 11.799 -2.632 1.00 0.00 O ATOM 600 CB LEU A 42 7.430 10.773 -4.915 1.00 0.00 C ATOM 601 CG LEU A 42 7.323 9.549 -3.982 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.714 9.928 -2.635 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.508 8.438 -4.633 1.00 0.00 C ATOM 0 H LEU A 42 9.976 9.933 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 42 8.654 12.499 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.568 11.418 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.373 10.431 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 42 8.335 9.183 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.653 9.043 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.339 10.678 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.714 10.334 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.447 7.586 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.504 8.802 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.989 8.130 -5.561 1.00 0.00 H new ATOM 615 N GLU A 43 7.808 12.743 -2.791 1.00 0.00 N ATOM 616 CA GLU A 43 7.805 13.237 -1.428 1.00 0.00 C ATOM 617 C GLU A 43 6.436 13.019 -0.799 1.00 0.00 C ATOM 618 O GLU A 43 5.586 13.905 -0.832 1.00 0.00 O ATOM 619 CB GLU A 43 8.172 14.718 -1.424 1.00 0.00 C ATOM 620 CG GLU A 43 8.811 15.079 -0.087 1.00 0.00 C ATOM 621 CD GLU A 43 10.209 15.646 -0.289 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.292 16.795 -0.775 1.00 0.00 O ATOM 623 OE2 GLU A 43 11.169 14.919 0.048 1.00 0.00 O ATOM 0 H GLU A 43 6.966 12.966 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 43 8.542 12.691 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.862 14.935 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.282 15.325 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.190 15.809 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.861 14.194 0.547 1.00 0.00 H new ATOM 630 N PHE A 44 6.226 11.832 -0.225 1.00 0.00 N ATOM 631 CA PHE A 44 4.964 11.504 0.408 1.00 0.00 C ATOM 632 C PHE A 44 4.477 12.687 1.232 1.00 0.00 C ATOM 633 O PHE A 44 5.251 13.297 1.966 1.00 0.00 O ATOM 634 CB PHE A 44 5.144 10.269 1.287 1.00 0.00 C ATOM 635 CG PHE A 44 3.982 10.018 2.219 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.922 10.672 3.455 1.00 0.00 C ATOM 637 CD2 PHE A 44 2.964 9.134 1.843 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.843 10.440 4.317 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.885 8.902 2.706 1.00 0.00 C ATOM 640 CZ PHE A 44 1.824 9.555 3.943 1.00 0.00 C ATOM 0 H PHE A 44 6.921 11.086 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 44 4.216 11.286 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.283 9.396 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.054 10.382 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.707 11.355 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.010 8.631 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.797 10.944 5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.100 8.219 2.417 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.992 9.376 4.608 1.00 0.00 H new ATOM 650 N GLU A 45 3.187 13.010 1.109 1.00 0.00 N ATOM 651 CA GLU A 45 2.606 14.116 1.843 1.00 0.00 C ATOM 652 C GLU A 45 1.859 13.595 3.063 1.00 0.00 C ATOM 653 O GLU A 45 2.046 14.093 4.171 1.00 0.00 O ATOM 654 CB GLU A 45 1.667 14.895 0.926 1.00 0.00 C ATOM 655 CG GLU A 45 0.735 15.760 1.769 1.00 0.00 C ATOM 656 CD GLU A 45 0.679 17.183 1.230 1.00 0.00 C ATOM 657 OE1 GLU A 45 1.740 17.841 1.253 1.00 0.00 O ATOM 658 OE2 GLU A 45 -0.426 17.585 0.804 1.00 0.00 O ATOM 0 H GLU A 45 2.531 12.515 0.505 1.00 0.00 H new ATOM 0 HA GLU A 45 3.397 14.783 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.243 15.520 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.086 14.206 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.266 15.328 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.079 15.772 2.803 1.00 0.00 H new ATOM 665 N LYS A 46 1.009 12.587 2.855 1.00 0.00 N ATOM 666 CA LYS A 46 0.239 12.002 3.935 1.00 0.00 C ATOM 667 C LYS A 46 -0.564 10.817 3.418 1.00 0.00 C ATOM 668 O LYS A 46 -0.428 10.433 2.256 1.00 0.00 O ATOM 669 CB LYS A 46 -0.684 13.061 4.532 1.00 0.00 C ATOM 670 CG LYS A 46 -1.737 13.456 3.501 1.00 0.00 C ATOM 671 CD LYS A 46 -2.730 14.427 4.133 1.00 0.00 C ATOM 672 CE LYS A 46 -4.121 14.180 3.555 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.813 15.449 3.287 1.00 0.00 N ATOM 0 H LYS A 46 0.842 12.163 1.942 1.00 0.00 H new ATOM 0 HA LYS A 46 0.913 11.644 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.166 12.675 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.106 13.936 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.260 13.919 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.259 12.569 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.745 14.295 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.422 15.455 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.039 13.605 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.708 13.582 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.756 15.254 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.911 15.985 4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.262 16.007 2.604 1.00 0.00 H new ATOM 687 N LEU A 47 -1.398 10.239 4.283 1.00 0.00 N ATOM 688 CA LEU A 47 -2.221 9.085 3.922 1.00 0.00 C ATOM 689 C LEU A 47 -3.716 9.386 4.045 1.00 0.00 C ATOM 690 O LEU A 47 -4.157 10.032 4.995 1.00 0.00 O ATOM 691 CB LEU A 47 -1.852 7.894 4.811 1.00 0.00 C ATOM 692 CG LEU A 47 -3.009 6.910 5.088 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.303 6.042 3.867 1.00 0.00 C ATOM 694 CD2 LEU A 47 -2.700 6.032 6.295 1.00 0.00 C ATOM 0 H LEU A 47 -1.522 10.554 5.245 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.021 8.846 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.034 7.348 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.479 8.271 5.763 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.897 7.503 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.122 5.360 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.583 6.678 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.414 5.467 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.530 5.348 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.792 5.460 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.557 6.660 7.174 1.00 0.00 H new ATOM 706 N VAL A 48 -4.491 8.912 3.068 1.00 0.00 N ATOM 707 CA VAL A 48 -5.924 9.127 3.055 1.00 0.00 C ATOM 708 C VAL A 48 -6.625 7.966 3.747 1.00 0.00 C ATOM 709 O VAL A 48 -7.228 8.142 4.803 1.00 0.00 O ATOM 710 CB VAL A 48 -6.404 9.267 1.614 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.727 10.027 1.590 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.362 10.034 0.804 1.00 0.00 C ATOM 0 H VAL A 48 -4.140 8.375 2.275 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.163 10.044 3.594 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.546 8.277 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.070 10.127 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.471 9.480 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.586 11.017 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.704 10.135 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.220 11.024 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.417 9.492 0.821 1.00 0.00 H new ATOM 722 N SER A 49 -6.545 6.776 3.148 1.00 0.00 N ATOM 723 CA SER A 49 -7.169 5.595 3.708 1.00 0.00 C ATOM 724 C SER A 49 -6.487 4.344 3.170 1.00 0.00 C ATOM 725 O SER A 49 -5.439 4.431 2.536 1.00 0.00 O ATOM 726 CB SER A 49 -8.655 5.592 3.361 1.00 0.00 C ATOM 727 OG SER A 49 -9.375 6.261 4.373 1.00 0.00 O ATOM 0 H SER A 49 -6.050 6.614 2.271 1.00 0.00 H new ATOM 0 HA SER A 49 -7.062 5.604 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.816 6.082 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.014 4.568 3.261 1.00 0.00 H new ATOM 0 HG SER A 49 -8.837 7.002 4.722 1.00 0.00 H new ATOM 733 N VAL A 50 -7.088 3.180 3.426 1.00 0.00 N ATOM 734 CA VAL A 50 -6.540 1.920 2.967 1.00 0.00 C ATOM 735 C VAL A 50 -7.632 0.860 2.947 1.00 0.00 C ATOM 736 O VAL A 50 -8.745 1.102 3.409 1.00 0.00 O ATOM 737 CB VAL A 50 -5.395 1.500 3.886 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.863 1.549 5.337 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.961 0.079 3.539 1.00 0.00 C ATOM 0 H VAL A 50 -7.958 3.093 3.952 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.153 2.034 1.954 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.554 2.180 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.046 1.249 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.174 2.564 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.704 0.869 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.144 -0.222 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.802 -0.601 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.627 0.044 2.502 1.00 0.00 H new ATOM 749 N LYS A 51 -7.312 -0.319 2.410 1.00 0.00 N ATOM 750 CA LYS A 51 -8.266 -1.408 2.333 1.00 0.00 C ATOM 751 C LYS A 51 -7.619 -2.699 2.812 1.00 0.00 C ATOM 752 O LYS A 51 -6.421 -2.731 3.090 1.00 0.00 O ATOM 753 CB LYS A 51 -8.758 -1.551 0.896 1.00 0.00 C ATOM 754 CG LYS A 51 -9.806 -0.479 0.608 1.00 0.00 C ATOM 755 CD LYS A 51 -9.353 0.372 -0.575 1.00 0.00 C ATOM 756 CE LYS A 51 -10.526 0.583 -1.528 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.111 0.390 -2.926 1.00 0.00 N ATOM 0 H LYS A 51 -6.394 -0.537 2.023 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.119 -1.194 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.922 -1.453 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.185 -2.542 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.767 -0.945 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.950 0.149 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.979 1.333 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.531 -0.119 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.328 -0.114 -1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.927 1.588 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.927 0.539 -3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.362 1.072 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.750 -0.577 -3.051 1.00 0.00 H new ATOM 771 N GLN A 52 -8.414 -3.766 2.908 1.00 0.00 N ATOM 772 CA GLN A 52 -7.917 -5.052 3.354 1.00 0.00 C ATOM 773 C GLN A 52 -8.577 -6.167 2.555 1.00 0.00 C ATOM 774 O GLN A 52 -9.799 -6.197 2.419 1.00 0.00 O ATOM 775 CB GLN A 52 -8.199 -5.216 4.844 1.00 0.00 C ATOM 776 CG GLN A 52 -9.695 -5.058 5.100 1.00 0.00 C ATOM 777 CD GLN A 52 -10.024 -5.309 6.565 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.905 -4.661 7.126 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.313 -6.255 7.184 1.00 0.00 N ATOM 0 H GLN A 52 -9.408 -3.756 2.680 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.840 -5.105 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.863 -6.196 5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.641 -4.473 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.012 -4.054 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.251 -5.755 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.592 -6.766 6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.491 -6.467 8.166 1.00 0.00 H new ATOM 788 N GLN A 53 -7.766 -7.085 2.025 1.00 0.00 N ATOM 789 CA GLN A 53 -8.274 -8.194 1.243 1.00 0.00 C ATOM 790 C GLN A 53 -7.661 -9.497 1.735 1.00 0.00 C ATOM 791 O GLN A 53 -6.479 -9.543 2.069 1.00 0.00 O ATOM 792 CB GLN A 53 -7.949 -7.966 -0.231 1.00 0.00 C ATOM 793 CG GLN A 53 -8.312 -9.214 -1.031 1.00 0.00 C ATOM 794 CD GLN A 53 -9.814 -9.291 -1.265 1.00 0.00 C ATOM 795 OE1 GLN A 53 -10.526 -9.967 -0.524 1.00 0.00 O ATOM 796 NE2 GLN A 53 -10.295 -8.596 -2.298 1.00 0.00 N ATOM 0 H GLN A 53 -6.751 -7.074 2.129 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.356 -8.259 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.503 -7.106 -0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.889 -7.740 -0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.791 -9.202 -1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.977 -10.103 -0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.663 -8.050 -2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.294 -8.611 -2.502 1.00 0.00 H new ATOM 805 N VAL A 54 -8.469 -10.559 1.779 1.00 0.00 N ATOM 806 CA VAL A 54 -8.004 -11.855 2.229 1.00 0.00 C ATOM 807 C VAL A 54 -7.855 -12.790 1.037 1.00 0.00 C ATOM 808 O VAL A 54 -8.824 -13.060 0.332 1.00 0.00 O ATOM 809 CB VAL A 54 -8.993 -12.425 3.243 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.417 -12.226 2.734 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.723 -13.916 3.432 1.00 0.00 C ATOM 0 H VAL A 54 -9.451 -10.537 1.505 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.031 -11.751 2.709 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.874 -11.910 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.123 -12.633 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.610 -11.162 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.538 -12.741 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.428 -14.325 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.842 -14.431 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.706 -14.058 3.797 1.00 0.00 H new ATOM 821 N VAL A 55 -6.635 -13.285 0.814 1.00 0.00 N ATOM 822 CA VAL A 55 -6.365 -14.186 -0.289 1.00 0.00 C ATOM 823 C VAL A 55 -5.248 -15.147 0.093 1.00 0.00 C ATOM 824 O VAL A 55 -5.389 -15.922 1.037 1.00 0.00 O ATOM 825 CB VAL A 55 -5.984 -13.375 -1.524 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.136 -12.450 -1.901 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.740 -12.544 -1.222 1.00 0.00 C ATOM 0 H VAL A 55 -5.821 -13.071 1.390 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.257 -14.770 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.777 -14.051 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.864 -11.871 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.024 -13.044 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.345 -11.773 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.467 -11.964 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.947 -11.868 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.917 -13.206 -0.954 1.00 0.00 H new ATOM 837 N ALA A 56 -4.135 -15.094 -0.644 1.00 0.00 N ATOM 838 CA ALA A 56 -3.002 -15.957 -0.379 1.00 0.00 C ATOM 839 C ALA A 56 -2.197 -15.408 0.790 1.00 0.00 C ATOM 840 O ALA A 56 -1.059 -15.818 1.011 1.00 0.00 O ATOM 841 CB ALA A 56 -2.138 -16.058 -1.633 1.00 0.00 C ATOM 0 H ALA A 56 -4.003 -14.457 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.353 -16.954 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.285 -16.707 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.729 -16.473 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.782 -15.066 -1.911 1.00 0.00 H new ATOM 847 N GLY A 57 -2.789 -14.476 1.540 1.00 0.00 N ATOM 848 CA GLY A 57 -2.123 -13.878 2.679 1.00 0.00 C ATOM 849 C GLY A 57 -2.940 -12.711 3.216 1.00 0.00 C ATOM 850 O GLY A 57 -4.145 -12.834 3.420 1.00 0.00 O ATOM 0 H GLY A 57 -3.731 -14.124 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.985 -14.624 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.131 -13.533 2.389 1.00 0.00 H new ATOM 854 N THR A 58 -2.277 -11.575 3.445 1.00 0.00 N ATOM 855 CA THR A 58 -2.945 -10.395 3.956 1.00 0.00 C ATOM 856 C THR A 58 -2.632 -9.197 3.070 1.00 0.00 C ATOM 857 O THR A 58 -1.541 -8.630 3.150 1.00 0.00 O ATOM 858 CB THR A 58 -2.494 -10.138 5.391 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.747 -11.283 6.175 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.264 -8.950 5.962 1.00 0.00 C ATOM 0 H THR A 58 -1.277 -11.456 3.282 1.00 0.00 H new ATOM 0 HA THR A 58 -4.023 -10.553 3.949 1.00 0.00 H new ATOM 0 HB THR A 58 -1.427 -9.918 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.456 -11.119 7.096 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.942 -8.766 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.069 -8.065 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.332 -9.169 5.951 1.00 0.00 H new ATOM 868 N LEU A 59 -3.590 -8.814 2.226 1.00 0.00 N ATOM 869 CA LEU A 59 -3.420 -7.687 1.311 1.00 0.00 C ATOM 870 C LEU A 59 -4.088 -6.414 1.837 1.00 0.00 C ATOM 871 O LEU A 59 -5.090 -6.470 2.546 1.00 0.00 O ATOM 872 CB LEU A 59 -3.996 -8.049 -0.062 1.00 0.00 C ATOM 873 CG LEU A 59 -3.302 -7.361 -1.257 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.576 -5.860 -1.269 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.801 -7.622 -1.238 1.00 0.00 C ATOM 0 H LEU A 59 -4.499 -9.272 2.158 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.352 -7.485 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.931 -9.129 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.055 -7.790 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.719 -7.790 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.073 -5.405 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.649 -5.687 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.201 -5.414 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.335 -7.127 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.375 -7.231 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.617 -8.695 -1.297 1.00 0.00 H new ATOM 887 N TYR A 60 -3.513 -5.263 1.484 1.00 0.00 N ATOM 888 CA TYR A 60 -4.037 -3.984 1.918 1.00 0.00 C ATOM 889 C TYR A 60 -3.798 -2.935 0.841 1.00 0.00 C ATOM 890 O TYR A 60 -2.666 -2.732 0.410 1.00 0.00 O ATOM 891 CB TYR A 60 -3.364 -3.578 3.227 1.00 0.00 C ATOM 892 CG TYR A 60 -4.067 -4.107 4.454 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.870 -5.433 4.857 1.00 0.00 C ATOM 894 CD2 TYR A 60 -4.915 -3.271 5.190 1.00 0.00 C ATOM 895 CE1 TYR A 60 -4.520 -5.924 5.995 1.00 0.00 C ATOM 896 CE2 TYR A 60 -5.566 -3.761 6.329 1.00 0.00 C ATOM 897 CZ TYR A 60 -5.368 -5.087 6.732 1.00 0.00 C ATOM 898 OH TYR A 60 -6.001 -5.565 7.842 1.00 0.00 O ATOM 0 H TYR A 60 -2.682 -5.199 0.896 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.111 -4.065 2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.335 -3.937 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.322 -2.490 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.216 -6.078 4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.067 -2.248 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.368 -6.947 6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.221 -3.116 6.896 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.550 -4.856 8.236 1.00 0.00 H new ATOM 908 N TYR A 61 -4.870 -2.268 0.408 1.00 0.00 N ATOM 909 CA TYR A 61 -4.771 -1.247 -0.616 1.00 0.00 C ATOM 910 C TYR A 61 -4.775 0.132 0.029 1.00 0.00 C ATOM 911 O TYR A 61 -5.831 0.649 0.388 1.00 0.00 O ATOM 912 CB TYR A 61 -5.936 -1.392 -1.591 1.00 0.00 C ATOM 913 CG TYR A 61 -6.321 -2.828 -1.861 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.792 -3.634 -0.818 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.206 -3.351 -3.155 1.00 0.00 C ATOM 916 CE1 TYR A 61 -7.149 -4.964 -1.069 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.562 -4.682 -3.405 1.00 0.00 C ATOM 918 CZ TYR A 61 -7.034 -5.489 -2.362 1.00 0.00 C ATOM 919 OH TYR A 61 -7.381 -6.785 -2.606 1.00 0.00 O ATOM 0 H TYR A 61 -5.816 -2.423 0.757 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.837 -1.366 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.801 -0.861 -1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.673 -0.911 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.880 -3.230 0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.843 -2.728 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.513 -5.586 -0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.473 -5.086 -4.402 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.242 -6.988 -3.555 1.00 0.00 H new ATOM 929 N PHE A 62 -3.589 0.727 0.174 1.00 0.00 N ATOM 930 CA PHE A 62 -3.464 2.041 0.772 1.00 0.00 C ATOM 931 C PHE A 62 -3.629 3.113 -0.296 1.00 0.00 C ATOM 932 O PHE A 62 -3.103 2.982 -1.399 1.00 0.00 O ATOM 933 CB PHE A 62 -2.103 2.160 1.453 1.00 0.00 C ATOM 934 CG PHE A 62 -1.910 1.183 2.588 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.431 -0.107 2.328 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.207 1.567 3.901 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.250 -1.012 3.380 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.026 0.662 4.954 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.547 -0.628 4.693 1.00 0.00 C ATOM 0 H PHE A 62 -2.704 0.312 -0.118 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.244 2.180 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.320 2.003 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.983 3.175 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.201 -0.404 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.576 2.562 4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.881 -2.007 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.256 0.958 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.407 -1.326 5.505 1.00 0.00 H new ATOM 949 N THR A 63 -4.363 4.178 0.035 1.00 0.00 N ATOM 950 CA THR A 63 -4.590 5.265 -0.896 1.00 0.00 C ATOM 951 C THR A 63 -4.052 6.565 -0.317 1.00 0.00 C ATOM 952 O THR A 63 -4.807 7.365 0.232 1.00 0.00 O ATOM 953 CB THR A 63 -6.084 5.380 -1.187 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.610 4.099 -1.455 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.298 6.282 -2.398 1.00 0.00 C ATOM 0 H THR A 63 -4.807 4.303 0.945 1.00 0.00 H new ATOM 0 HA THR A 63 -4.065 5.063 -1.830 1.00 0.00 H new ATOM 0 HB THR A 63 -6.591 5.807 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.570 4.172 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.365 6.364 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.891 7.272 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.791 5.855 -3.264 1.00 0.00 H new ATOM 963 N ILE A 64 -2.740 6.776 -0.442 1.00 0.00 N ATOM 964 CA ILE A 64 -2.104 7.975 0.065 1.00 0.00 C ATOM 965 C ILE A 64 -1.834 8.939 -1.082 1.00 0.00 C ATOM 966 O ILE A 64 -2.189 8.661 -2.226 1.00 0.00 O ATOM 967 CB ILE A 64 -0.807 7.601 0.775 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.268 7.285 -0.262 1.00 0.00 C ATOM 969 CG2 ILE A 64 -1.042 6.375 1.653 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.093 5.852 -0.756 1.00 0.00 C ATOM 0 H ILE A 64 -2.101 6.122 -0.894 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.764 8.467 0.780 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.480 8.435 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.197 7.980 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.258 7.412 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.115 6.108 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.809 6.600 2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.370 5.541 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.860 5.626 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.186 5.164 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.892 5.741 -1.209 1.00 0.00 H new ATOM 982 N GLU A 65 -1.204 10.075 -0.775 1.00 0.00 N ATOM 983 CA GLU A 65 -0.892 11.069 -1.782 1.00 0.00 C ATOM 984 C GLU A 65 0.537 11.561 -1.600 1.00 0.00 C ATOM 985 O GLU A 65 0.912 12.007 -0.518 1.00 0.00 O ATOM 986 CB GLU A 65 -1.879 12.228 -1.674 1.00 0.00 C ATOM 987 CG GLU A 65 -1.209 13.514 -2.149 1.00 0.00 C ATOM 988 CD GLU A 65 -2.183 14.682 -2.105 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.956 14.813 -3.078 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.135 15.423 -1.098 1.00 0.00 O ATOM 0 H GLU A 65 -0.903 10.322 0.168 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.978 10.625 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.764 12.023 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.214 12.339 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.345 13.732 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.839 13.382 -3.166 1.00 0.00 H new ATOM 997 N VAL A 66 1.338 11.477 -2.666 1.00 0.00 N ATOM 998 CA VAL A 66 2.719 11.913 -2.622 1.00 0.00 C ATOM 999 C VAL A 66 2.988 12.885 -3.762 1.00 0.00 C ATOM 1000 O VAL A 66 2.506 12.689 -4.875 1.00 0.00 O ATOM 1001 CB VAL A 66 3.637 10.698 -2.718 1.00 0.00 C ATOM 1002 CG1 VAL A 66 2.945 9.485 -2.101 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.950 10.412 -4.184 1.00 0.00 C ATOM 0 H VAL A 66 1.043 11.108 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 66 2.914 12.426 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 66 4.563 10.900 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.601 8.618 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.720 9.688 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.018 9.282 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.606 9.544 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.023 10.210 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.445 11.277 -4.626 1.00 0.00 H new ATOM 1013 N LYS A 67 3.762 13.936 -3.481 1.00 0.00 N ATOM 1014 CA LYS A 67 4.092 14.930 -4.482 1.00 0.00 C ATOM 1015 C LYS A 67 5.534 14.752 -4.934 1.00 0.00 C ATOM 1016 O LYS A 67 6.457 14.843 -4.128 1.00 0.00 O ATOM 1017 CB LYS A 67 3.875 16.325 -3.903 1.00 0.00 C ATOM 1018 CG LYS A 67 4.867 16.564 -2.768 1.00 0.00 C ATOM 1019 CD LYS A 67 4.148 17.216 -1.591 1.00 0.00 C ATOM 1020 CE LYS A 67 5.035 18.303 -0.991 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.400 17.979 0.397 1.00 0.00 N ATOM 0 H LYS A 67 4.169 14.113 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 67 3.444 14.805 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.007 17.078 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.854 16.423 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.314 15.620 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.680 17.204 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.202 17.645 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.911 16.467 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.938 18.414 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.514 19.260 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.003 18.733 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.538 17.897 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.917 17.077 0.418 1.00 0.00 H new ATOM 1035 N GLU A 68 5.726 14.498 -6.231 1.00 0.00 N ATOM 1036 CA GLU A 68 7.053 14.311 -6.782 1.00 0.00 C ATOM 1037 C GLU A 68 7.717 15.662 -7.011 1.00 0.00 C ATOM 1038 O GLU A 68 7.281 16.673 -6.465 1.00 0.00 O ATOM 1039 CB GLU A 68 6.954 13.529 -8.089 1.00 0.00 C ATOM 1040 CG GLU A 68 8.266 12.792 -8.342 1.00 0.00 C ATOM 1041 CD GLU A 68 8.446 12.497 -9.824 1.00 0.00 C ATOM 1042 OE1 GLU A 68 7.778 11.554 -10.300 1.00 0.00 O ATOM 1043 OE2 GLU A 68 9.249 13.219 -10.453 1.00 0.00 O ATOM 0 H GLU A 68 4.972 14.419 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 68 7.664 13.745 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.129 12.818 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.740 14.207 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.101 13.394 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.279 11.860 -7.777 1.00 0.00 H new ATOM 1050 N GLY A 69 8.774 15.676 -7.826 1.00 0.00 N ATOM 1051 CA GLY A 69 9.490 16.901 -8.122 1.00 0.00 C ATOM 1052 C GLY A 69 8.526 18.081 -8.153 1.00 0.00 C ATOM 1053 O GLY A 69 8.524 18.909 -7.245 1.00 0.00 O ATOM 0 H GLY A 69 9.147 14.847 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.260 17.071 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.997 16.811 -9.083 1.00 0.00 H new ATOM 1057 N ASP A 70 7.706 18.153 -9.203 1.00 0.00 N ATOM 1058 CA ASP A 70 6.744 19.227 -9.349 1.00 0.00 C ATOM 1059 C ASP A 70 5.357 18.647 -9.586 1.00 0.00 C ATOM 1060 O ASP A 70 4.538 19.254 -10.273 1.00 0.00 O ATOM 1061 CB ASP A 70 7.160 20.126 -10.509 1.00 0.00 C ATOM 1062 CG ASP A 70 8.673 20.278 -10.565 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.204 20.996 -9.689 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.272 19.673 -11.480 1.00 0.00 O ATOM 0 H ASP A 70 7.695 17.473 -9.963 1.00 0.00 H new ATOM 0 HA ASP A 70 6.716 19.823 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.798 19.706 -11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.696 21.106 -10.399 1.00 0.00 H new ATOM 1069 N ALA A 71 5.094 17.469 -9.015 1.00 0.00 N ATOM 1070 CA ALA A 71 3.810 16.815 -9.168 1.00 0.00 C ATOM 1071 C ALA A 71 3.237 16.479 -7.799 1.00 0.00 C ATOM 1072 O ALA A 71 3.958 16.481 -6.803 1.00 0.00 O ATOM 1073 CB ALA A 71 3.981 15.553 -10.008 1.00 0.00 C ATOM 0 H ALA A 71 5.762 16.954 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 71 3.115 17.483 -9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.016 15.060 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.373 15.820 -10.990 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.677 14.877 -9.511 1.00 0.00 H new ATOM 1079 N LYS A 72 1.935 16.187 -7.751 1.00 0.00 N ATOM 1080 CA LYS A 72 1.274 15.851 -6.506 1.00 0.00 C ATOM 1081 C LYS A 72 -0.051 15.160 -6.793 1.00 0.00 C ATOM 1082 O LYS A 72 -0.954 15.758 -7.374 1.00 0.00 O ATOM 1083 CB LYS A 72 1.055 17.121 -5.688 1.00 0.00 C ATOM 1084 CG LYS A 72 0.395 18.182 -6.564 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.865 18.699 -5.875 1.00 0.00 C ATOM 1086 CE LYS A 72 -1.406 19.903 -6.640 1.00 0.00 C ATOM 1087 NZ LYS A 72 -0.563 21.089 -6.425 1.00 0.00 N ATOM 0 H LYS A 72 1.324 16.179 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 72 1.900 15.167 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.427 16.906 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.007 17.490 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.088 19.004 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.143 17.760 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.618 17.912 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.640 18.980 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.449 19.672 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.426 20.114 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.081 21.941 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.319 21.164 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.308 21.002 -6.986 1.00 0.00 H new ATOM 1101 N LYS A 73 -0.166 13.895 -6.383 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.378 13.129 -6.598 1.00 0.00 C ATOM 1103 C LYS A 73 -1.423 11.950 -5.638 1.00 0.00 C ATOM 1104 O LYS A 73 -0.510 11.768 -4.831 1.00 0.00 O ATOM 1105 CB LYS A 73 -1.426 12.650 -8.047 1.00 0.00 C ATOM 1106 CG LYS A 73 -0.071 12.064 -8.433 1.00 0.00 C ATOM 1107 CD LYS A 73 0.203 12.341 -9.907 1.00 0.00 C ATOM 1108 CE LYS A 73 1.070 11.225 -10.483 1.00 0.00 C ATOM 1109 NZ LYS A 73 0.712 10.948 -11.883 1.00 0.00 N ATOM 0 H LYS A 73 0.573 13.385 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.248 13.758 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.207 11.899 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.677 13.480 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.715 12.502 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.061 10.990 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.736 12.406 -10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.706 13.301 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.121 11.508 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.948 10.321 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.316 10.186 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.285 10.656 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.852 11.806 -12.453 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.485 11.149 -5.727 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.662 9.986 -4.858 1.00 0.00 C ATOM 1125 C LEU A 74 -2.066 8.716 -5.472 1.00 0.00 C ATOM 1126 O LEU A 74 -2.300 8.404 -6.638 1.00 0.00 O ATOM 1127 CB LEU A 74 -4.151 9.778 -4.573 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.931 9.056 -5.692 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -6.376 8.792 -5.279 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.893 9.859 -6.987 1.00 0.00 C ATOM 0 H LEU A 74 -3.241 11.286 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.129 10.182 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.253 9.206 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.612 10.750 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.444 8.096 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.899 8.282 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.391 8.166 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.872 9.739 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.450 9.329 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.344 10.838 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.859 9.985 -7.307 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.287 7.988 -4.669 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.653 6.766 -5.123 1.00 0.00 C ATOM 1144 C TYR A 75 -1.243 5.574 -4.384 1.00 0.00 C ATOM 1145 O TYR A 75 -1.407 5.613 -3.166 1.00 0.00 O ATOM 1146 CB TYR A 75 0.851 6.858 -4.889 1.00 0.00 C ATOM 1147 CG TYR A 75 1.529 7.914 -5.729 1.00 0.00 C ATOM 1148 CD1 TYR A 75 0.993 9.206 -5.795 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.694 7.603 -6.439 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.620 10.185 -6.574 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.322 8.582 -7.218 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.785 9.873 -7.285 1.00 0.00 C ATOM 1153 OH TYR A 75 3.398 10.828 -8.045 1.00 0.00 O ATOM 0 H TYR A 75 -1.085 8.232 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.834 6.632 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.034 7.070 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.304 5.890 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.096 9.447 -5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.109 6.607 -6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.205 11.181 -6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.220 8.341 -7.767 1.00 0.00 H new ATOM 0 HH TYR A 75 4.194 10.446 -8.471 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.562 4.509 -5.125 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.129 3.313 -4.535 1.00 0.00 C ATOM 1165 C GLU A 76 -1.019 2.429 -3.983 1.00 0.00 C ATOM 1166 O GLU A 76 -0.377 1.695 -4.730 1.00 0.00 O ATOM 1167 CB GLU A 76 -2.943 2.565 -5.587 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.550 3.566 -6.567 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.032 3.295 -6.771 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.738 3.192 -5.744 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.435 3.196 -7.951 1.00 0.00 O ATOM 0 H GLU A 76 -1.433 4.460 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.788 3.588 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.307 1.858 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.732 1.985 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.410 4.580 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.030 3.506 -7.523 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.797 2.502 -2.668 1.00 0.00 N ATOM 1179 CA ALA A 77 0.231 1.712 -2.023 1.00 0.00 C ATOM 1180 C ALA A 77 -0.327 0.346 -1.649 1.00 0.00 C ATOM 1181 O ALA A 77 -1.142 0.235 -0.735 1.00 0.00 O ATOM 1182 CB ALA A 77 0.734 2.448 -0.785 1.00 0.00 C ATOM 0 H ALA A 77 -1.323 3.105 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 77 1.067 1.566 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.508 1.855 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.147 3.413 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.093 2.603 -0.093 1.00 0.00 H new ATOM 1188 N LYS A 78 0.115 -0.695 -2.358 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.344 -2.046 -2.096 1.00 0.00 C ATOM 1190 C LYS A 78 0.760 -2.843 -1.416 1.00 0.00 C ATOM 1191 O LYS A 78 1.899 -2.853 -1.879 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.756 -2.705 -3.409 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.709 -1.781 -4.164 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.756 -1.232 -3.201 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.613 -0.193 -3.918 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.914 -0.616 -5.294 1.00 0.00 N ATOM 0 H LYS A 78 0.791 -0.620 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.207 -2.019 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.125 -2.912 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.240 -3.662 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.153 -0.961 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.195 -2.325 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.383 -2.042 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.269 -0.783 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.542 -0.042 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.092 0.765 -3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.702 -0.048 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.074 -0.478 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.180 -1.621 -5.298 1.00 0.00 H new ATOM 1210 N VAL A 79 0.419 -3.514 -0.313 1.00 0.00 N ATOM 1211 CA VAL A 79 1.377 -4.311 0.425 1.00 0.00 C ATOM 1212 C VAL A 79 0.790 -5.686 0.714 1.00 0.00 C ATOM 1213 O VAL A 79 -0.427 -5.844 0.776 1.00 0.00 O ATOM 1214 CB VAL A 79 1.740 -3.595 1.722 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.618 -4.504 2.578 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.500 -2.311 1.399 1.00 0.00 C ATOM 0 H VAL A 79 -0.521 -3.515 0.083 1.00 0.00 H new ATOM 0 HA VAL A 79 2.282 -4.442 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 79 0.829 -3.351 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.877 -3.992 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.076 -5.421 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.529 -4.749 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.760 -1.799 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.411 -2.555 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.873 -1.661 0.789 1.00 0.00 H new ATOM 1226 N TRP A 80 1.661 -6.682 0.890 1.00 0.00 N ATOM 1227 CA TRP A 80 1.223 -8.034 1.172 1.00 0.00 C ATOM 1228 C TRP A 80 2.015 -8.603 2.339 1.00 0.00 C ATOM 1229 O TRP A 80 3.122 -9.106 2.159 1.00 0.00 O ATOM 1230 CB TRP A 80 1.402 -8.896 -0.075 1.00 0.00 C ATOM 1231 CG TRP A 80 0.644 -10.185 -0.063 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.445 -10.443 0.693 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.894 -11.402 -0.830 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.883 -11.727 0.449 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.091 -12.366 -0.483 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.853 -11.791 -1.782 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.124 -13.643 -1.049 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 1.829 -13.070 -2.355 1.00 0.00 C ATOM 1239 CH2 TRP A 80 0.845 -13.997 -1.992 1.00 0.00 C ATOM 0 H TRP A 80 2.673 -6.569 0.840 1.00 0.00 H new ATOM 0 HA TRP A 80 0.168 -8.028 1.446 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.093 -8.318 -0.946 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.462 -9.116 -0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.903 -9.750 1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.692 -12.152 0.901 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.622 -11.092 -2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.889 -14.348 -0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.577 -13.343 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.835 -14.980 -2.438 1.00 0.00 H new ATOM 1250 N GLU A 81 1.444 -8.523 3.544 1.00 0.00 N ATOM 1251 CA GLU A 81 2.099 -9.030 4.733 1.00 0.00 C ATOM 1252 C GLU A 81 1.431 -10.322 5.183 1.00 0.00 C ATOM 1253 O GLU A 81 0.358 -10.672 4.697 1.00 0.00 O ATOM 1254 CB GLU A 81 2.036 -7.976 5.835 1.00 0.00 C ATOM 1255 CG GLU A 81 0.669 -7.297 5.813 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.183 -7.753 6.988 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.424 -8.976 7.074 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.578 -6.868 7.779 1.00 0.00 O ATOM 0 H GLU A 81 0.527 -8.109 3.713 1.00 0.00 H new ATOM 0 HA GLU A 81 3.144 -9.245 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.208 -8.440 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.824 -7.236 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.795 -6.215 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.159 -7.528 4.878 1.00 0.00 H new ATOM 1265 N LYS A 82 2.070 -11.031 6.117 1.00 0.00 N ATOM 1266 CA LYS A 82 1.537 -12.277 6.627 1.00 0.00 C ATOM 1267 C LYS A 82 1.931 -12.450 8.087 1.00 0.00 C ATOM 1268 O LYS A 82 3.110 -12.595 8.402 1.00 0.00 O ATOM 1269 CB LYS A 82 2.059 -13.437 5.785 1.00 0.00 C ATOM 1270 CG LYS A 82 2.048 -13.040 4.311 1.00 0.00 C ATOM 1271 CD LYS A 82 2.834 -14.067 3.501 1.00 0.00 C ATOM 1272 CE LYS A 82 2.028 -14.468 2.269 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.902 -15.030 1.227 1.00 0.00 N ATOM 0 H LYS A 82 2.960 -10.754 6.531 1.00 0.00 H new ATOM 0 HA LYS A 82 0.449 -12.262 6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.071 -13.699 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.439 -14.320 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.022 -12.982 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.487 -12.050 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.795 -13.650 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.044 -14.944 4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.271 -15.201 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.501 -13.599 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.330 -15.295 0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.609 -14.320 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.386 -15.873 1.597 1.00 0.00 H new ATOM 1287 N PRO A 83 0.938 -12.434 8.979 1.00 0.00 N ATOM 1288 CA PRO A 83 1.122 -12.586 10.407 1.00 0.00 C ATOM 1289 C PRO A 83 1.481 -14.030 10.726 1.00 0.00 C ATOM 1290 O PRO A 83 2.396 -14.288 11.505 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.225 -12.208 11.018 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.216 -12.609 9.925 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.459 -12.266 8.644 1.00 0.00 C ATOM 0 HA PRO A 83 1.927 -11.965 10.799 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.411 -12.743 11.949 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.282 -11.143 11.245 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.468 -13.668 9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.151 -12.055 10.003 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.750 -12.924 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.668 -11.246 8.323 1.00 0.00 H new ATOM 1301 N TRP A 84 0.756 -14.973 10.121 1.00 0.00 N ATOM 1302 CA TRP A 84 1.004 -16.384 10.345 1.00 0.00 C ATOM 1303 C TRP A 84 2.495 -16.671 10.246 1.00 0.00 C ATOM 1304 O TRP A 84 2.957 -17.730 10.664 1.00 0.00 O ATOM 1305 CB TRP A 84 0.226 -17.204 9.320 1.00 0.00 C ATOM 1306 CG TRP A 84 0.791 -17.182 7.936 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.820 -17.940 7.500 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.381 -16.372 6.792 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.074 -17.658 6.175 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.214 -16.696 5.686 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.609 -15.397 6.574 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.074 -16.088 4.436 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.758 -14.781 5.324 1.00 0.00 C ATOM 1314 CH2 TRP A 84 0.078 -15.123 4.255 1.00 0.00 C ATOM 0 H TRP A 84 -0.007 -14.777 9.473 1.00 0.00 H new ATOM 0 HA TRP A 84 0.669 -16.661 11.344 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.181 -18.238 9.662 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.799 -16.835 9.284 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.361 -18.658 8.098 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.807 -18.105 5.624 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.266 -15.118 7.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.727 -16.360 3.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.526 -14.035 5.184 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.045 -14.644 3.295 1.00 0.00 H new ATOM 1325 N MET A 85 3.250 -15.720 9.690 1.00 0.00 N ATOM 1326 CA MET A 85 4.682 -15.875 9.539 1.00 0.00 C ATOM 1327 C MET A 85 5.370 -14.527 9.703 1.00 0.00 C ATOM 1328 O MET A 85 6.568 -14.403 9.459 1.00 0.00 O ATOM 1329 CB MET A 85 4.986 -16.470 8.167 1.00 0.00 C ATOM 1330 CG MET A 85 4.712 -15.428 7.087 1.00 0.00 C ATOM 1331 SD MET A 85 5.612 -15.716 5.543 1.00 0.00 S ATOM 1332 CE MET A 85 4.721 -17.178 4.956 1.00 0.00 C ATOM 0 H MET A 85 2.883 -14.835 9.339 1.00 0.00 H new ATOM 0 HA MET A 85 5.060 -16.549 10.308 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.026 -16.792 8.121 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.371 -17.354 7.998 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.643 -15.411 6.875 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.976 -14.443 7.471 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.325 -17.698 4.212 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.524 -17.845 5.795 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.776 -16.872 4.507 1.00 0.00 H new ATOM 1342 N ASP A 86 4.606 -13.515 10.121 1.00 0.00 N ATOM 1343 CA ASP A 86 5.143 -12.183 10.316 1.00 0.00 C ATOM 1344 C ASP A 86 6.057 -11.820 9.154 1.00 0.00 C ATOM 1345 O ASP A 86 7.278 -11.828 9.297 1.00 0.00 O ATOM 1346 CB ASP A 86 5.901 -12.130 11.639 1.00 0.00 C ATOM 1347 CG ASP A 86 4.943 -12.205 12.819 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.063 -11.321 12.893 1.00 0.00 O ATOM 1349 OD2 ASP A 86 5.108 -13.146 13.625 1.00 0.00 O ATOM 0 H ASP A 86 3.611 -13.602 10.329 1.00 0.00 H new ATOM 0 HA ASP A 86 4.329 -11.459 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.611 -12.956 11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.480 -11.208 11.694 1.00 0.00 H new ATOM 1354 N PHE A 87 5.463 -11.501 8.002 1.00 0.00 N ATOM 1355 CA PHE A 87 6.227 -11.139 6.825 1.00 0.00 C ATOM 1356 C PHE A 87 5.526 -10.013 6.081 1.00 0.00 C ATOM 1357 O PHE A 87 4.436 -9.594 6.466 1.00 0.00 O ATOM 1358 CB PHE A 87 6.388 -12.363 5.928 1.00 0.00 C ATOM 1359 CG PHE A 87 6.491 -12.024 4.460 1.00 0.00 C ATOM 1360 CD1 PHE A 87 5.329 -11.845 3.700 1.00 0.00 C ATOM 1361 CD2 PHE A 87 7.748 -11.895 3.858 1.00 0.00 C ATOM 1362 CE1 PHE A 87 5.424 -11.533 2.339 1.00 0.00 C ATOM 1363 CE2 PHE A 87 7.843 -11.583 2.496 1.00 0.00 C ATOM 1364 CZ PHE A 87 6.681 -11.402 1.737 1.00 0.00 C ATOM 0 H PHE A 87 4.452 -11.489 7.868 1.00 0.00 H new ATOM 0 HA PHE A 87 7.216 -10.790 7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.281 -12.910 6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.539 -13.030 6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.359 -11.948 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.644 -12.036 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.528 -11.393 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.813 -11.482 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.754 -11.161 0.687 1.00 0.00 H new ATOM 1374 N LYS A 88 6.154 -9.520 5.011 1.00 0.00 N ATOM 1375 CA LYS A 88 5.588 -8.446 4.220 1.00 0.00 C ATOM 1376 C LYS A 88 6.503 -8.131 3.044 1.00 0.00 C ATOM 1377 O LYS A 88 7.714 -8.317 3.128 1.00 0.00 O ATOM 1378 CB LYS A 88 5.395 -7.214 5.099 1.00 0.00 C ATOM 1379 CG LYS A 88 6.756 -6.709 5.572 1.00 0.00 C ATOM 1380 CD LYS A 88 6.721 -5.188 5.689 1.00 0.00 C ATOM 1381 CE LYS A 88 7.072 -4.780 7.117 1.00 0.00 C ATOM 1382 NZ LYS A 88 5.906 -4.909 8.005 1.00 0.00 N ATOM 0 H LYS A 88 7.058 -9.855 4.678 1.00 0.00 H new ATOM 0 HA LYS A 88 4.618 -8.752 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.879 -6.433 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.768 -7.460 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.006 -7.153 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.533 -7.013 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.427 -4.742 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.731 -4.815 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.886 -5.403 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.429 -3.750 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.171 -4.626 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.139 -4.296 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.582 -5.897 8.011 1.00 0.00 H new ATOM 1396 N GLU A 89 5.918 -7.650 1.944 1.00 0.00 N ATOM 1397 CA GLU A 89 6.682 -7.311 0.761 1.00 0.00 C ATOM 1398 C GLU A 89 5.917 -6.298 -0.078 1.00 0.00 C ATOM 1399 O GLU A 89 4.752 -6.518 -0.413 1.00 0.00 O ATOM 1400 CB GLU A 89 6.961 -8.579 -0.043 1.00 0.00 C ATOM 1401 CG GLU A 89 8.056 -8.300 -1.068 1.00 0.00 C ATOM 1402 CD GLU A 89 7.786 -9.046 -2.367 1.00 0.00 C ATOM 1403 OE1 GLU A 89 6.820 -8.652 -3.055 1.00 0.00 O ATOM 1404 OE2 GLU A 89 8.550 -9.994 -2.647 1.00 0.00 O ATOM 0 H GLU A 89 4.914 -7.490 1.857 1.00 0.00 H new ATOM 0 HA GLU A 89 7.632 -6.864 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.269 -9.385 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.053 -8.911 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.112 -7.229 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.023 -8.602 -0.665 1.00 0.00 H new ATOM 1411 N LEU A 90 6.574 -5.189 -0.417 1.00 0.00 N ATOM 1412 CA LEU A 90 5.957 -4.126 -1.212 1.00 0.00 C ATOM 1413 C LEU A 90 5.589 -4.604 -2.619 1.00 0.00 C ATOM 1414 O LEU A 90 6.401 -5.206 -3.317 1.00 0.00 O ATOM 1415 CB LEU A 90 6.910 -2.931 -1.299 1.00 0.00 C ATOM 1416 CG LEU A 90 6.246 -1.604 -1.723 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.603 -1.721 -3.102 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.211 -1.159 -0.697 1.00 0.00 C ATOM 0 H LEU A 90 7.541 -5.002 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 90 5.033 -3.830 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.383 -2.790 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.703 -3.167 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 90 7.031 -0.849 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.144 -0.770 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.365 -1.978 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.840 -2.499 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.758 -0.222 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.438 -1.922 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.695 -1.014 0.269 1.00 0.00 H new ATOM 1430 N GLN A 91 4.345 -4.331 -3.022 1.00 0.00 N ATOM 1431 CA GLN A 91 3.862 -4.730 -4.329 1.00 0.00 C ATOM 1432 C GLN A 91 3.972 -3.562 -5.299 1.00 0.00 C ATOM 1433 O GLN A 91 4.420 -3.732 -6.431 1.00 0.00 O ATOM 1434 CB GLN A 91 2.416 -5.201 -4.211 1.00 0.00 C ATOM 1435 CG GLN A 91 2.380 -6.580 -3.557 1.00 0.00 C ATOM 1436 CD GLN A 91 2.647 -7.674 -4.581 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.128 -7.396 -5.677 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.332 -8.920 -4.222 1.00 0.00 N ATOM 0 H GLN A 91 3.659 -3.834 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 91 4.469 -5.551 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.839 -4.491 -3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.955 -5.243 -5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.125 -6.630 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.407 -6.741 -3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.935 -9.100 -3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.489 -9.692 -4.870 1.00 0.00 H new ATOM 1447 N GLU A 92 3.560 -2.374 -4.852 1.00 0.00 N ATOM 1448 CA GLU A 92 3.617 -1.187 -5.683 1.00 0.00 C ATOM 1449 C GLU A 92 2.788 -0.075 -5.057 1.00 0.00 C ATOM 1450 O GLU A 92 1.676 -0.311 -4.589 1.00 0.00 O ATOM 1451 CB GLU A 92 3.104 -1.522 -7.081 1.00 0.00 C ATOM 1452 CG GLU A 92 4.260 -1.462 -8.074 1.00 0.00 C ATOM 1453 CD GLU A 92 3.968 -2.315 -9.301 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.275 -1.795 -10.201 1.00 0.00 O ATOM 1455 OE2 GLU A 92 4.444 -3.471 -9.314 1.00 0.00 O ATOM 0 H GLU A 92 3.184 -2.216 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 92 4.648 -0.843 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.656 -2.516 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.324 -0.819 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.431 -0.429 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.175 -1.809 -7.594 1.00 0.00 H new ATOM 1462 N PHE A 93 3.333 1.144 -5.047 1.00 0.00 N ATOM 1463 CA PHE A 93 2.643 2.284 -4.480 1.00 0.00 C ATOM 1464 C PHE A 93 2.657 3.441 -5.471 1.00 0.00 C ATOM 1465 O PHE A 93 3.477 4.349 -5.356 1.00 0.00 O ATOM 1466 CB PHE A 93 3.316 2.684 -3.171 1.00 0.00 C ATOM 1467 CG PHE A 93 4.423 3.697 -3.346 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.562 3.368 -4.088 1.00 0.00 C ATOM 1469 CD2 PHE A 93 4.306 4.968 -2.768 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.587 4.307 -4.253 1.00 0.00 C ATOM 1471 CE2 PHE A 93 5.331 5.907 -2.932 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.471 5.577 -3.674 1.00 0.00 C ATOM 0 H PHE A 93 4.254 1.358 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 93 1.605 2.021 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.564 3.092 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.723 1.792 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.651 2.388 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.426 5.223 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.466 4.052 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.242 6.887 -2.486 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.262 6.302 -3.800 1.00 0.00 H new ATOM 1482 N LYS A 94 1.745 3.406 -6.444 1.00 0.00 N ATOM 1483 CA LYS A 94 1.657 4.449 -7.445 1.00 0.00 C ATOM 1484 C LYS A 94 0.226 4.561 -7.954 1.00 0.00 C ATOM 1485 O LYS A 94 -0.581 3.657 -7.748 1.00 0.00 O ATOM 1486 CB LYS A 94 2.614 4.133 -8.592 1.00 0.00 C ATOM 1487 CG LYS A 94 3.952 4.820 -8.340 1.00 0.00 C ATOM 1488 CD LYS A 94 5.084 3.809 -8.505 1.00 0.00 C ATOM 1489 CE LYS A 94 5.715 3.972 -9.886 1.00 0.00 C ATOM 1490 NZ LYS A 94 6.137 2.673 -10.430 1.00 0.00 N ATOM 0 H LYS A 94 1.058 2.660 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 94 1.939 5.405 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.756 3.056 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.191 4.473 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.085 5.647 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.972 5.243 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.836 3.959 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.701 2.795 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.000 4.439 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.574 4.639 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.562 2.811 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.836 2.241 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.311 2.047 -10.513 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.086 5.675 -8.619 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.392 5.955 -9.175 1.00 0.00 C ATOM 1506 C PRO A 95 -1.627 5.076 -10.395 1.00 0.00 C ATOM 1507 O PRO A 95 -2.650 5.200 -11.065 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.344 7.431 -9.564 1.00 0.00 C ATOM 1509 CG PRO A 95 0.131 7.645 -9.900 1.00 0.00 C ATOM 1510 CD PRO A 95 0.839 6.758 -8.878 1.00 0.00 C ATOM 0 HA PRO A 95 -2.203 5.752 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.988 7.646 -10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.670 8.075 -8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.361 7.347 -10.923 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.422 8.691 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.786 6.384 -9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.066 7.310 -7.966 1.00 0.00 H new ATOM 1518 N VAL A 96 -0.674 4.187 -10.684 1.00 0.00 N ATOM 1519 CA VAL A 96 -0.780 3.294 -11.821 1.00 0.00 C ATOM 1520 C VAL A 96 -0.864 4.106 -13.105 1.00 0.00 C ATOM 1521 O VAL A 96 -1.956 4.436 -13.563 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.012 2.409 -11.658 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.241 1.615 -12.941 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.795 1.445 -10.495 1.00 0.00 C ATOM 0 H VAL A 96 0.180 4.073 -10.139 1.00 0.00 H new ATOM 0 HA VAL A 96 0.103 2.657 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.883 3.032 -11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.121 0.982 -12.825 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.395 2.303 -13.772 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.370 0.991 -13.143 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.675 0.812 -10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.924 0.822 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.631 2.012 -9.578 1.00 0.00 H new