USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 89 THR OG1 : rot 94:sc= -0.357 USER MOD Set 1.2: A 90 HIS : no HD1:sc= 0.0441 K(o=-0.31,f=-2.7) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -127:sc= 2.53 (180deg=0.75) USER MOD Set 2.2: A 73 TYR OH : rot -100:sc= 2.13 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 80 TYR OH : rot 98:sc= 0.301 USER MOD Single : A 2 THR OG1 : rot -81:sc= 1.16 USER MOD Single : A 3 TYR OH : rot -129:sc= 1.05 USER MOD Single : A 4 ASN : amide:sc= 0.778 K(o=0.78,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.462) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= -0.042 (180deg=-0.157) USER MOD Single : A 18 CYS SG : rot -58:sc= -2.8! USER MOD Single : A 27 GLN : amide:sc= 0.262 K(o=0.26,f=-6.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.107 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0761 USER MOD Single : A 58 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.2) USER MOD Single : A 59 SER OG : rot 93:sc= 1.29 USER MOD Single : A 68 GLN : amide:sc= 1.14 K(o=1.1,f=-5.9!) USER MOD Single : A 69 MET CE :methyl 163:sc= 0 (180deg=-0.359) USER MOD Single : A 82 THR OG1 : rot 26:sc= 0.669 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.118) USER MOD ----------------------------------------------------------------- ATOM 12 N THR A 2 14.787 -4.808 -1.762 1.00 0.00 N ATOM 13 CA THR A 2 13.979 -5.258 -2.888 1.00 0.00 C ATOM 14 C THR A 2 13.111 -6.479 -2.573 1.00 0.00 C ATOM 15 O THR A 2 13.394 -7.598 -2.999 1.00 0.00 O ATOM 16 CB THR A 2 14.893 -5.438 -4.104 1.00 0.00 C ATOM 17 OG1 THR A 2 15.821 -4.370 -4.143 1.00 0.00 O ATOM 18 CG2 THR A 2 14.089 -5.490 -5.406 1.00 0.00 C ATOM 0 HA THR A 2 13.240 -4.491 -3.122 1.00 0.00 H new ATOM 0 HB THR A 2 15.421 -6.387 -4.009 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.396 -3.582 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.769 -5.618 -6.248 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.393 -6.328 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.532 -4.561 -5.527 1.00 0.00 H new ATOM 26 N TYR A 3 12.030 -6.247 -1.828 1.00 0.00 N ATOM 27 CA TYR A 3 11.221 -7.305 -1.243 1.00 0.00 C ATOM 28 C TYR A 3 10.012 -7.652 -2.098 1.00 0.00 C ATOM 29 O TYR A 3 9.544 -6.841 -2.892 1.00 0.00 O ATOM 30 CB TYR A 3 10.747 -6.879 0.139 1.00 0.00 C ATOM 31 CG TYR A 3 11.866 -6.432 1.044 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.862 -7.338 1.455 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.907 -5.101 1.486 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.796 -6.948 2.428 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.808 -4.739 2.494 1.00 0.00 C ATOM 36 CZ TYR A 3 13.654 -5.703 3.059 1.00 0.00 C ATOM 37 OH TYR A 3 14.378 -5.402 4.167 1.00 0.00 O ATOM 0 H TYR A 3 11.692 -5.309 -1.614 1.00 0.00 H new ATOM 0 HA TYR A 3 11.849 -8.194 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.028 -6.066 0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.221 -7.711 0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.907 -8.327 1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.249 -4.362 1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.616 -7.600 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.851 -3.716 2.837 1.00 0.00 H new ATOM 0 HH TYR A 3 13.779 -5.075 4.870 1.00 0.00 H new ATOM 47 N ASN A 4 9.502 -8.866 -1.897 1.00 0.00 N ATOM 48 CA ASN A 4 8.384 -9.442 -2.614 1.00 0.00 C ATOM 49 C ASN A 4 7.075 -8.937 -2.018 1.00 0.00 C ATOM 50 O ASN A 4 6.523 -9.572 -1.120 1.00 0.00 O ATOM 51 CB ASN A 4 8.501 -10.959 -2.475 1.00 0.00 C ATOM 52 CG ASN A 4 7.510 -11.702 -3.347 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.866 -12.247 -4.388 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.274 -11.730 -2.889 1.00 0.00 N ATOM 0 H ASN A 4 9.882 -9.499 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 4 8.395 -9.158 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.513 -11.267 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.343 -11.238 -1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.549 -12.226 -3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.043 -11.256 -2.016 1.00 0.00 H new ATOM 61 N VAL A 5 6.572 -7.808 -2.507 1.00 0.00 N ATOM 62 CA VAL A 5 5.328 -7.252 -2.003 1.00 0.00 C ATOM 63 C VAL A 5 4.168 -7.876 -2.763 1.00 0.00 C ATOM 64 O VAL A 5 4.117 -7.766 -3.991 1.00 0.00 O ATOM 65 CB VAL A 5 5.303 -5.727 -2.141 1.00 0.00 C ATOM 66 CG1 VAL A 5 3.981 -5.175 -1.576 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.509 -5.105 -1.427 1.00 0.00 C ATOM 0 H VAL A 5 7.008 -7.263 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 5 5.241 -7.482 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 5 5.367 -5.462 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.968 -4.090 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.143 -5.601 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.895 -5.443 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.476 -4.021 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.480 -5.366 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.430 -5.486 -1.869 1.00 0.00 H new ATOM 77 N LYS A 6 3.221 -8.497 -2.052 1.00 0.00 N ATOM 78 CA LYS A 6 1.986 -8.938 -2.660 1.00 0.00 C ATOM 79 C LYS A 6 0.880 -7.908 -2.486 1.00 0.00 C ATOM 80 O LYS A 6 0.618 -7.457 -1.370 1.00 0.00 O ATOM 81 CB LYS A 6 1.571 -10.279 -2.082 1.00 0.00 C ATOM 82 CG LYS A 6 0.425 -10.817 -2.937 1.00 0.00 C ATOM 83 CD LYS A 6 -0.251 -12.007 -2.292 1.00 0.00 C ATOM 84 CE LYS A 6 0.734 -13.141 -2.039 1.00 0.00 C ATOM 85 NZ LYS A 6 0.044 -14.439 -2.191 1.00 0.00 N ATOM 0 H LYS A 6 3.297 -8.700 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 6 2.157 -9.053 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.411 -10.974 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.255 -10.167 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.308 -10.027 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.807 -11.104 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.705 -11.702 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.057 -12.361 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.567 -13.076 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.153 -13.056 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.746 -15.188 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.491 -14.651 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.609 -14.392 -2.999 1.00 0.00 H new ATOM 99 N LEU A 7 0.200 -7.613 -3.599 1.00 0.00 N ATOM 100 CA LEU A 7 -1.021 -6.834 -3.647 1.00 0.00 C ATOM 101 C LEU A 7 -2.161 -7.750 -4.056 1.00 0.00 C ATOM 102 O LEU A 7 -2.237 -8.116 -5.224 1.00 0.00 O ATOM 103 CB LEU A 7 -0.870 -5.645 -4.606 1.00 0.00 C ATOM 104 CG LEU A 7 0.441 -4.862 -4.446 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.508 -3.718 -5.451 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.631 -4.260 -3.057 1.00 0.00 C ATOM 0 H LEU A 7 0.505 -7.927 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.238 -6.416 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.938 -6.010 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.707 -4.963 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 7 1.231 -5.594 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.444 -3.175 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.458 -4.119 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.330 -3.040 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.578 -3.722 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.186 -3.571 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.637 -5.056 -2.313 1.00 0.00 H new ATOM 118 N ILE A 8 -3.024 -8.136 -3.112 1.00 0.00 N ATOM 119 CA ILE A 8 -4.238 -8.887 -3.377 1.00 0.00 C ATOM 120 C ILE A 8 -5.238 -7.900 -3.971 1.00 0.00 C ATOM 121 O ILE A 8 -6.004 -7.245 -3.265 1.00 0.00 O ATOM 122 CB ILE A 8 -4.703 -9.604 -2.094 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.683 -10.674 -1.672 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.094 -10.237 -2.243 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.668 -10.896 -0.159 1.00 0.00 C ATOM 0 H ILE A 8 -2.888 -7.927 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.099 -9.693 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.773 -8.842 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.917 -11.614 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.688 -10.375 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.372 -10.728 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.824 -9.461 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.075 -10.971 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.932 -11.661 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.407 -9.964 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.655 -11.222 0.171 1.00 0.00 H new ATOM 137 N THR A 9 -5.167 -7.750 -5.291 1.00 0.00 N ATOM 138 CA THR A 9 -6.091 -6.964 -6.074 1.00 0.00 C ATOM 139 C THR A 9 -7.329 -7.816 -6.384 1.00 0.00 C ATOM 140 O THR A 9 -7.197 -9.038 -6.476 1.00 0.00 O ATOM 141 CB THR A 9 -5.394 -6.588 -7.380 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.940 -7.769 -8.014 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.132 -5.749 -7.186 1.00 0.00 C ATOM 0 H THR A 9 -4.439 -8.189 -5.854 1.00 0.00 H new ATOM 0 HA THR A 9 -6.395 -6.068 -5.533 1.00 0.00 H new ATOM 0 HB THR A 9 -6.130 -6.021 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.492 -7.538 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.693 -5.522 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.388 -4.820 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.413 -6.306 -6.585 1.00 0.00 H new ATOM 151 N PRO A 10 -8.499 -7.201 -6.631 1.00 0.00 N ATOM 152 CA PRO A 10 -9.732 -7.906 -6.935 1.00 0.00 C ATOM 153 C PRO A 10 -9.629 -8.730 -8.226 1.00 0.00 C ATOM 154 O PRO A 10 -10.301 -9.748 -8.367 1.00 0.00 O ATOM 155 CB PRO A 10 -10.840 -6.863 -7.004 1.00 0.00 C ATOM 156 CG PRO A 10 -10.190 -5.522 -6.734 1.00 0.00 C ATOM 157 CD PRO A 10 -8.699 -5.772 -6.678 1.00 0.00 C ATOM 0 HA PRO A 10 -9.949 -8.636 -6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.319 -6.871 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.616 -7.073 -6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.434 -4.807 -7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.548 -5.099 -5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.206 -5.345 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.263 -5.295 -5.800 1.00 0.00 H new ATOM 165 N ASP A 11 -8.760 -8.295 -9.145 1.00 0.00 N ATOM 166 CA ASP A 11 -8.372 -9.011 -10.354 1.00 0.00 C ATOM 167 C ASP A 11 -7.860 -10.410 -10.018 1.00 0.00 C ATOM 168 O ASP A 11 -8.014 -11.343 -10.803 1.00 0.00 O ATOM 169 CB ASP A 11 -7.264 -8.215 -11.056 1.00 0.00 C ATOM 170 CG ASP A 11 -7.855 -7.152 -11.968 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.078 -6.039 -11.447 1.00 0.00 O ATOM 172 OD2 ASP A 11 -8.093 -7.479 -13.151 1.00 0.00 O ATOM 0 H ASP A 11 -8.290 -7.394 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.241 -9.114 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.621 -7.745 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.637 -8.891 -11.637 1.00 0.00 H new ATOM 177 N GLY A 12 -7.243 -10.533 -8.843 1.00 0.00 N ATOM 178 CA GLY A 12 -6.785 -11.777 -8.271 1.00 0.00 C ATOM 179 C GLY A 12 -5.270 -11.764 -8.104 1.00 0.00 C ATOM 180 O GLY A 12 -4.586 -12.597 -8.693 1.00 0.00 O ATOM 0 H GLY A 12 -7.046 -9.729 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.262 -11.936 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.079 -12.608 -8.912 1.00 0.00 H new ATOM 184 N GLU A 13 -4.777 -10.827 -7.281 1.00 0.00 N ATOM 185 CA GLU A 13 -3.378 -10.644 -6.906 1.00 0.00 C ATOM 186 C GLU A 13 -2.496 -10.225 -8.093 1.00 0.00 C ATOM 187 O GLU A 13 -2.862 -10.375 -9.257 1.00 0.00 O ATOM 188 CB GLU A 13 -2.818 -11.907 -6.237 1.00 0.00 C ATOM 189 CG GLU A 13 -3.384 -12.245 -4.849 1.00 0.00 C ATOM 190 CD GLU A 13 -3.167 -13.713 -4.442 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.105 -14.040 -3.847 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.101 -14.494 -4.712 1.00 0.00 O ATOM 0 H GLU A 13 -5.385 -10.139 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.354 -9.825 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.001 -12.755 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.737 -11.798 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.918 -11.597 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.452 -12.026 -4.837 1.00 0.00 H new ATOM 199 N VAL A 14 -1.306 -9.706 -7.775 1.00 0.00 N ATOM 200 CA VAL A 14 -0.245 -9.432 -8.745 1.00 0.00 C ATOM 201 C VAL A 14 1.104 -9.975 -8.258 1.00 0.00 C ATOM 202 O VAL A 14 1.622 -10.931 -8.827 1.00 0.00 O ATOM 203 CB VAL A 14 -0.215 -7.937 -9.114 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.441 -7.592 -9.969 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.176 -7.019 -7.883 1.00 0.00 C ATOM 0 H VAL A 14 -1.050 -9.461 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.462 -9.968 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 14 0.704 -7.765 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.417 -6.534 -10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.429 -8.190 -10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.349 -7.807 -9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.156 -5.978 -8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.062 -7.192 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.717 -7.234 -7.297 1.00 0.00 H new ATOM 215 N GLU A 15 1.642 -9.379 -7.189 1.00 0.00 N ATOM 216 CA GLU A 15 2.920 -9.710 -6.562 1.00 0.00 C ATOM 217 C GLU A 15 4.100 -9.185 -7.379 1.00 0.00 C ATOM 218 O GLU A 15 4.166 -9.381 -8.591 1.00 0.00 O ATOM 219 CB GLU A 15 3.022 -11.210 -6.243 1.00 0.00 C ATOM 220 CG GLU A 15 3.702 -11.507 -4.907 1.00 0.00 C ATOM 221 CD GLU A 15 3.499 -12.951 -4.456 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.514 -13.580 -4.897 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.299 -13.382 -3.602 1.00 0.00 O ATOM 0 H GLU A 15 1.169 -8.610 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 15 2.966 -9.195 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.020 -11.640 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.575 -11.706 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.769 -11.303 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.309 -10.833 -4.145 1.00 0.00 H new ATOM 230 N PHE A 16 5.010 -8.460 -6.724 1.00 0.00 N ATOM 231 CA PHE A 16 6.074 -7.740 -7.410 1.00 0.00 C ATOM 232 C PHE A 16 7.198 -7.364 -6.452 1.00 0.00 C ATOM 233 O PHE A 16 7.085 -7.609 -5.248 1.00 0.00 O ATOM 234 CB PHE A 16 5.508 -6.546 -8.168 1.00 0.00 C ATOM 235 CG PHE A 16 5.207 -5.366 -7.290 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.179 -5.443 -6.338 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.116 -4.299 -7.257 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.088 -4.473 -5.336 1.00 0.00 C ATOM 239 CE2 PHE A 16 5.995 -3.310 -6.282 1.00 0.00 C ATOM 240 CZ PHE A 16 4.981 -3.390 -5.319 1.00 0.00 C ATOM 0 H PHE A 16 5.026 -8.359 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 16 6.523 -8.401 -8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.219 -6.244 -8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.595 -6.850 -8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.461 -6.249 -6.379 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.910 -4.243 -7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.329 -4.557 -4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.685 -2.479 -6.269 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.887 -2.621 -4.566 1.00 0.00 H new ATOM 250 N LYS A 17 8.309 -6.834 -6.982 1.00 0.00 N ATOM 251 CA LYS A 17 9.456 -6.463 -6.168 1.00 0.00 C ATOM 252 C LYS A 17 9.443 -4.964 -5.901 1.00 0.00 C ATOM 253 O LYS A 17 9.333 -4.176 -6.833 1.00 0.00 O ATOM 254 CB LYS A 17 10.770 -6.956 -6.800 1.00 0.00 C ATOM 255 CG LYS A 17 11.426 -8.051 -5.938 1.00 0.00 C ATOM 256 CD LYS A 17 10.543 -9.291 -5.758 1.00 0.00 C ATOM 257 CE LYS A 17 10.823 -10.415 -6.761 1.00 0.00 C ATOM 258 NZ LYS A 17 10.632 -9.973 -8.157 1.00 0.00 N ATOM 0 H LYS A 17 8.430 -6.655 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 17 9.387 -6.961 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.573 -7.345 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.458 -6.119 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.369 -8.348 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.665 -7.638 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.682 -9.678 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.498 -8.994 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.845 -10.771 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.163 -11.258 -6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.715 -10.791 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.689 -9.548 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.358 -9.269 -8.401 1.00 0.00 H new ATOM 272 N CYS A 18 9.539 -4.582 -4.627 1.00 0.00 N ATOM 273 CA CYS A 18 9.615 -3.189 -4.215 1.00 0.00 C ATOM 274 C CYS A 18 10.852 -2.930 -3.357 1.00 0.00 C ATOM 275 O CYS A 18 11.060 -3.623 -2.355 1.00 0.00 O ATOM 276 CB CYS A 18 8.354 -2.790 -3.483 1.00 0.00 C ATOM 277 SG CYS A 18 8.457 -0.989 -3.315 1.00 0.00 S ATOM 0 H CYS A 18 9.566 -5.241 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 18 9.705 -2.574 -5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.465 -3.084 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.294 -3.274 -2.508 1.00 0.00 H new ATOM 0 HG CYS A 18 9.545 -0.674 -2.677 1.00 0.00 H new ATOM 283 N ASP A 19 11.684 -1.962 -3.755 1.00 0.00 N ATOM 284 CA ASP A 19 12.839 -1.541 -2.977 1.00 0.00 C ATOM 285 C ASP A 19 12.399 -0.931 -1.652 1.00 0.00 C ATOM 286 O ASP A 19 11.380 -0.256 -1.548 1.00 0.00 O ATOM 287 CB ASP A 19 13.746 -0.566 -3.740 1.00 0.00 C ATOM 288 CG ASP A 19 14.172 -1.085 -5.102 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.672 -2.229 -5.125 1.00 0.00 O ATOM 290 OD2 ASP A 19 13.995 -0.334 -6.086 1.00 0.00 O ATOM 0 H ASP A 19 11.569 -1.451 -4.630 1.00 0.00 H new ATOM 0 HA ASP A 19 13.429 -2.437 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.223 0.382 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.634 -0.363 -3.142 1.00 0.00 H new ATOM 295 N ASP A 20 13.227 -1.114 -0.634 1.00 0.00 N ATOM 296 CA ASP A 20 13.048 -0.520 0.685 1.00 0.00 C ATOM 297 C ASP A 20 13.163 1.009 0.655 1.00 0.00 C ATOM 298 O ASP A 20 12.738 1.674 1.597 1.00 0.00 O ATOM 299 CB ASP A 20 14.036 -1.179 1.665 1.00 0.00 C ATOM 300 CG ASP A 20 15.442 -1.333 1.137 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.542 -2.071 0.123 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.386 -1.086 1.904 1.00 0.00 O ATOM 0 H ASP A 20 14.063 -1.694 -0.703 1.00 0.00 H new ATOM 0 HA ASP A 20 12.034 -0.715 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.069 -0.587 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.655 -2.163 1.937 1.00 0.00 H new ATOM 307 N ASP A 21 13.694 1.557 -0.442 1.00 0.00 N ATOM 308 CA ASP A 21 13.955 2.974 -0.646 1.00 0.00 C ATOM 309 C ASP A 21 12.964 3.595 -1.640 1.00 0.00 C ATOM 310 O ASP A 21 13.120 4.765 -1.991 1.00 0.00 O ATOM 311 CB ASP A 21 15.384 3.152 -1.185 1.00 0.00 C ATOM 312 CG ASP A 21 16.472 2.744 -0.203 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.491 3.326 0.903 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.296 1.891 -0.601 1.00 0.00 O ATOM 0 H ASP A 21 13.964 0.992 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 21 13.838 3.480 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.493 2.565 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.530 4.197 -1.460 1.00 0.00 H new ATOM 319 N VAL A 22 11.966 2.844 -2.126 1.00 0.00 N ATOM 320 CA VAL A 22 11.031 3.306 -3.151 1.00 0.00 C ATOM 321 C VAL A 22 9.604 3.014 -2.686 1.00 0.00 C ATOM 322 O VAL A 22 9.419 2.131 -1.847 1.00 0.00 O ATOM 323 CB VAL A 22 11.381 2.619 -4.483 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.776 1.221 -4.603 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.900 3.445 -5.669 1.00 0.00 C ATOM 0 H VAL A 22 11.787 1.890 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 22 11.106 4.382 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 22 12.468 2.534 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.056 0.785 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.150 0.592 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.690 1.288 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.161 2.936 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.818 3.566 -5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.376 4.425 -5.647 1.00 0.00 H new ATOM 335 N TYR A 23 8.588 3.732 -3.180 1.00 0.00 N ATOM 336 CA TYR A 23 7.244 3.445 -2.714 1.00 0.00 C ATOM 337 C TYR A 23 6.719 2.164 -3.356 1.00 0.00 C ATOM 338 O TYR A 23 7.101 1.792 -4.467 1.00 0.00 O ATOM 339 CB TYR A 23 6.284 4.615 -2.948 1.00 0.00 C ATOM 340 CG TYR A 23 6.721 5.930 -2.332 1.00 0.00 C ATOM 341 CD1 TYR A 23 7.013 6.003 -0.956 1.00 0.00 C ATOM 342 CD2 TYR A 23 6.734 7.105 -3.108 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.247 7.249 -0.354 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.064 8.337 -2.520 1.00 0.00 C ATOM 345 CZ TYR A 23 7.304 8.412 -1.139 1.00 0.00 C ATOM 346 OH TYR A 23 7.523 9.616 -0.547 1.00 0.00 O ATOM 0 H TYR A 23 8.670 4.479 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 23 7.298 3.298 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.161 4.756 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.306 4.350 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.057 5.100 -0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.489 7.059 -4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.384 7.314 0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.133 9.226 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 23 7.535 10.319 -1.230 1.00 0.00 H new ATOM 356 N VAL A 24 5.794 1.506 -2.658 1.00 0.00 N ATOM 357 CA VAL A 24 5.081 0.362 -3.209 1.00 0.00 C ATOM 358 C VAL A 24 4.472 0.746 -4.558 1.00 0.00 C ATOM 359 O VAL A 24 4.710 0.079 -5.566 1.00 0.00 O ATOM 360 CB VAL A 24 4.013 -0.126 -2.213 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.432 -1.463 -2.659 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.603 -0.400 -0.831 1.00 0.00 C ATOM 0 H VAL A 24 5.522 1.750 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 24 5.773 -0.464 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 24 3.265 0.666 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.679 -1.790 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.973 -1.351 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.228 -2.206 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.815 -0.742 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.372 -1.169 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.044 0.515 -0.436 1.00 0.00 H new ATOM 372 N LEU A 25 3.695 1.835 -4.568 1.00 0.00 N ATOM 373 CA LEU A 25 2.982 2.272 -5.757 1.00 0.00 C ATOM 374 C LEU A 25 3.948 2.543 -6.906 1.00 0.00 C ATOM 375 O LEU A 25 3.673 2.114 -8.026 1.00 0.00 O ATOM 376 CB LEU A 25 1.986 3.405 -5.429 1.00 0.00 C ATOM 377 CG LEU A 25 2.191 4.830 -5.978 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.435 5.554 -5.452 1.00 0.00 C ATOM 379 CD2 LEU A 25 2.056 4.950 -7.502 1.00 0.00 C ATOM 0 H LEU A 25 3.548 2.430 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 25 2.349 1.464 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.004 3.073 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.941 3.485 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 25 1.342 5.368 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.492 6.548 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.372 5.644 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.326 4.986 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.215 5.986 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.799 4.315 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.058 4.635 -7.805 1.00 0.00 H new ATOM 391 N ASP A 26 5.082 3.204 -6.627 1.00 0.00 N ATOM 392 CA ASP A 26 6.059 3.584 -7.633 1.00 0.00 C ATOM 393 C ASP A 26 6.391 2.349 -8.453 1.00 0.00 C ATOM 394 O ASP A 26 6.098 2.246 -9.645 1.00 0.00 O ATOM 395 CB ASP A 26 7.375 4.062 -6.981 1.00 0.00 C ATOM 396 CG ASP A 26 7.394 5.400 -6.265 1.00 0.00 C ATOM 397 OD1 ASP A 26 6.649 6.307 -6.686 1.00 0.00 O ATOM 398 OD2 ASP A 26 8.186 5.480 -5.295 1.00 0.00 O ATOM 0 H ASP A 26 5.340 3.488 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 26 5.640 4.389 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.684 3.300 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.136 4.094 -7.760 1.00 0.00 H new ATOM 403 N GLN A 27 7.027 1.399 -7.771 1.00 0.00 N ATOM 404 CA GLN A 27 7.643 0.280 -8.420 1.00 0.00 C ATOM 405 C GLN A 27 6.549 -0.638 -8.973 1.00 0.00 C ATOM 406 O GLN A 27 6.698 -1.176 -10.063 1.00 0.00 O ATOM 407 CB GLN A 27 8.655 -0.332 -7.448 1.00 0.00 C ATOM 408 CG GLN A 27 9.691 -1.182 -8.179 1.00 0.00 C ATOM 409 CD GLN A 27 11.041 -1.177 -7.459 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.302 -1.997 -6.586 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.907 -0.222 -7.777 1.00 0.00 N ATOM 0 H GLN A 27 7.121 1.397 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 27 8.228 0.544 -9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.158 0.463 -6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.131 -0.946 -6.715 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.327 -2.206 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.819 -0.806 -9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.676 0.454 -8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.803 -0.164 -7.293 1.00 0.00 H new ATOM 420 N ALA A 28 5.409 -0.743 -8.281 1.00 0.00 N ATOM 421 CA ALA A 28 4.244 -1.436 -8.812 1.00 0.00 C ATOM 422 C ALA A 28 3.854 -0.920 -10.198 1.00 0.00 C ATOM 423 O ALA A 28 3.826 -1.693 -11.161 1.00 0.00 O ATOM 424 CB ALA A 28 3.077 -1.278 -7.845 1.00 0.00 C ATOM 0 H ALA A 28 5.275 -0.353 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 28 4.498 -2.491 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.204 -1.796 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.345 -1.705 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.846 -0.220 -7.723 1.00 0.00 H new ATOM 430 N GLU A 29 3.548 0.376 -10.307 1.00 0.00 N ATOM 431 CA GLU A 29 3.203 0.960 -11.593 1.00 0.00 C ATOM 432 C GLU A 29 4.355 0.739 -12.581 1.00 0.00 C ATOM 433 O GLU A 29 4.099 0.418 -13.739 1.00 0.00 O ATOM 434 CB GLU A 29 2.836 2.446 -11.471 1.00 0.00 C ATOM 435 CG GLU A 29 1.437 2.648 -10.869 1.00 0.00 C ATOM 436 CD GLU A 29 0.963 4.091 -11.015 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.729 4.992 -10.609 1.00 0.00 O ATOM 438 OE2 GLU A 29 -0.148 4.276 -11.556 1.00 0.00 O ATOM 0 H GLU A 29 3.534 1.030 -9.525 1.00 0.00 H new ATOM 0 HA GLU A 29 2.313 0.459 -11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.574 2.951 -10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.877 2.911 -12.456 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.729 1.981 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.452 2.375 -9.814 1.00 0.00 H new ATOM 445 N GLU A 30 5.613 0.845 -12.131 1.00 0.00 N ATOM 446 CA GLU A 30 6.766 0.510 -12.965 1.00 0.00 C ATOM 447 C GLU A 30 6.704 -0.903 -13.543 1.00 0.00 C ATOM 448 O GLU A 30 7.054 -1.105 -14.705 1.00 0.00 O ATOM 449 CB GLU A 30 8.103 0.827 -12.286 1.00 0.00 C ATOM 450 CG GLU A 30 8.227 2.312 -11.893 1.00 0.00 C ATOM 451 CD GLU A 30 9.375 3.006 -12.615 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.532 2.673 -12.278 1.00 0.00 O ATOM 453 OE2 GLU A 30 9.079 3.842 -13.495 1.00 0.00 O ATOM 0 H GLU A 30 5.854 1.161 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 30 6.708 1.174 -13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.210 0.208 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.920 0.563 -12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.293 2.826 -12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.378 2.389 -10.816 1.00 0.00 H new ATOM 460 N GLU A 31 6.240 -1.879 -12.765 1.00 0.00 N ATOM 461 CA GLU A 31 6.110 -3.247 -13.263 1.00 0.00 C ATOM 462 C GLU A 31 4.906 -3.342 -14.198 1.00 0.00 C ATOM 463 O GLU A 31 4.851 -4.199 -15.079 1.00 0.00 O ATOM 464 CB GLU A 31 6.000 -4.231 -12.094 1.00 0.00 C ATOM 465 CG GLU A 31 7.118 -3.958 -11.076 1.00 0.00 C ATOM 466 CD GLU A 31 8.034 -5.166 -10.817 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.471 -5.766 -11.821 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.274 -5.506 -9.632 1.00 0.00 O ATOM 0 H GLU A 31 5.950 -1.750 -11.796 1.00 0.00 H new ATOM 0 HA GLU A 31 7.001 -3.514 -13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.026 -4.132 -11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.072 -5.255 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.724 -3.125 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.669 -3.646 -10.133 1.00 0.00 H new ATOM 475 N GLY A 32 3.940 -2.448 -13.986 1.00 0.00 N ATOM 476 CA GLY A 32 2.743 -2.292 -14.797 1.00 0.00 C ATOM 477 C GLY A 32 1.490 -2.570 -13.977 1.00 0.00 C ATOM 478 O GLY A 32 0.412 -2.745 -14.541 1.00 0.00 O ATOM 0 H GLY A 32 3.977 -1.787 -13.210 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.701 -1.280 -15.200 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.784 -2.972 -15.648 1.00 0.00 H new ATOM 482 N ILE A 33 1.617 -2.633 -12.649 1.00 0.00 N ATOM 483 CA ILE A 33 0.475 -2.902 -11.792 1.00 0.00 C ATOM 484 C ILE A 33 -0.392 -1.648 -11.659 1.00 0.00 C ATOM 485 O ILE A 33 0.093 -0.591 -11.270 1.00 0.00 O ATOM 486 CB ILE A 33 0.969 -3.349 -10.419 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.852 -4.592 -10.540 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.201 -3.648 -9.473 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.493 -4.996 -9.214 1.00 0.00 C ATOM 0 H ILE A 33 2.498 -2.501 -12.152 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.130 -3.694 -12.234 1.00 0.00 H new ATOM 0 HB ILE A 33 1.554 -2.528 -10.003 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.253 -5.422 -10.916 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.635 -4.405 -11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.186 -3.964 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.806 -2.750 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.816 -4.443 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.108 -5.884 -9.363 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.116 -4.180 -8.848 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.713 -5.213 -8.484 1.00 0.00 H new ATOM 501 N ASP A 34 -1.690 -1.808 -11.905 1.00 0.00 N ATOM 502 CA ASP A 34 -2.721 -0.811 -11.639 1.00 0.00 C ATOM 503 C ASP A 34 -3.273 -1.027 -10.229 1.00 0.00 C ATOM 504 O ASP A 34 -3.774 -2.111 -9.930 1.00 0.00 O ATOM 505 CB ASP A 34 -3.807 -0.953 -12.712 1.00 0.00 C ATOM 506 CG ASP A 34 -4.915 0.090 -12.613 1.00 0.00 C ATOM 507 OD1 ASP A 34 -5.149 0.599 -11.496 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.522 0.358 -13.673 1.00 0.00 O ATOM 0 H ASP A 34 -2.065 -2.666 -12.309 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.321 0.202 -11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.343 -0.883 -13.696 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.249 -1.946 -12.638 1.00 0.00 H new ATOM 513 N ILE A 35 -3.141 -0.020 -9.356 1.00 0.00 N ATOM 514 CA ILE A 35 -3.716 -0.005 -8.020 1.00 0.00 C ATOM 515 C ILE A 35 -4.279 1.397 -7.764 1.00 0.00 C ATOM 516 O ILE A 35 -3.876 2.340 -8.445 1.00 0.00 O ATOM 517 CB ILE A 35 -2.687 -0.454 -6.961 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.659 0.622 -6.562 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.978 -1.731 -7.403 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.732 0.142 -5.434 1.00 0.00 C ATOM 0 H ILE A 35 -2.615 0.827 -9.573 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.531 -0.725 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.271 -0.646 -6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.061 0.893 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.183 1.523 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.257 -2.029 -6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.711 -2.526 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.458 -1.551 -8.344 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.023 0.932 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.327 -0.103 -4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.188 -0.743 -5.762 1.00 0.00 H new ATOM 682 N ALA A 48 -6.150 3.053 -0.066 1.00 0.00 N ATOM 683 CA ALA A 48 -5.715 2.153 0.990 1.00 0.00 C ATOM 684 C ALA A 48 -5.755 0.702 0.535 1.00 0.00 C ATOM 685 O ALA A 48 -6.377 0.353 -0.475 1.00 0.00 O ATOM 686 CB ALA A 48 -6.525 2.316 2.285 1.00 0.00 C ATOM 0 HA ALA A 48 -4.684 2.430 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.155 1.618 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.420 3.336 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.576 2.109 2.085 1.00 0.00 H new ATOM 692 N GLY A 49 -5.109 -0.135 1.345 1.00 0.00 N ATOM 693 CA GLY A 49 -5.159 -1.572 1.292 1.00 0.00 C ATOM 694 C GLY A 49 -5.162 -2.159 2.698 1.00 0.00 C ATOM 695 O GLY A 49 -4.952 -1.428 3.663 1.00 0.00 O ATOM 0 H GLY A 49 -4.506 0.204 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.053 -1.891 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.302 -1.951 0.735 1.00 0.00 H new ATOM 699 N LYS A 50 -5.393 -3.472 2.804 1.00 0.00 N ATOM 700 CA LYS A 50 -5.446 -4.235 4.035 1.00 0.00 C ATOM 701 C LYS A 50 -4.148 -5.014 4.233 1.00 0.00 C ATOM 702 O LYS A 50 -3.885 -5.939 3.475 1.00 0.00 O ATOM 703 CB LYS A 50 -6.662 -5.172 3.971 1.00 0.00 C ATOM 704 CG LYS A 50 -7.327 -5.335 5.340 1.00 0.00 C ATOM 705 CD LYS A 50 -8.810 -5.657 5.143 1.00 0.00 C ATOM 706 CE LYS A 50 -9.597 -5.320 6.418 1.00 0.00 C ATOM 707 NZ LYS A 50 -11.035 -5.109 6.118 1.00 0.00 N ATOM 0 H LYS A 50 -5.556 -4.054 1.982 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.553 -3.568 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.387 -4.778 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.349 -6.148 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.841 -6.133 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.215 -4.421 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.205 -5.088 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.932 -6.712 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.488 -6.129 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.183 -4.423 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.339 -4.191 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.180 -5.119 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.596 -5.869 6.554 1.00 0.00 H new ATOM 721 N VAL A 51 -3.329 -4.654 5.220 1.00 0.00 N ATOM 722 CA VAL A 51 -2.116 -5.376 5.574 1.00 0.00 C ATOM 723 C VAL A 51 -2.492 -6.795 6.004 1.00 0.00 C ATOM 724 O VAL A 51 -3.093 -6.979 7.060 1.00 0.00 O ATOM 725 CB VAL A 51 -1.388 -4.638 6.719 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.058 -5.300 7.094 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.084 -3.186 6.356 1.00 0.00 C ATOM 0 H VAL A 51 -3.497 -3.836 5.805 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.446 -5.427 4.716 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.074 -4.685 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.411 -4.741 7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.240 -6.324 7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.602 -5.306 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.572 -2.703 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.447 -3.158 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.016 -2.660 6.149 1.00 0.00 H new ATOM 737 N VAL A 52 -2.129 -7.798 5.202 1.00 0.00 N ATOM 738 CA VAL A 52 -2.317 -9.193 5.568 1.00 0.00 C ATOM 739 C VAL A 52 -1.148 -9.648 6.440 1.00 0.00 C ATOM 740 O VAL A 52 -1.358 -10.294 7.463 1.00 0.00 O ATOM 741 CB VAL A 52 -2.432 -10.044 4.298 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.509 -11.548 4.593 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.655 -9.626 3.479 1.00 0.00 C ATOM 0 H VAL A 52 -1.699 -7.662 4.287 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.237 -9.312 6.140 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.521 -9.865 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.589 -12.099 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.609 -11.861 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.383 -11.753 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.720 -10.241 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.556 -9.760 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.561 -8.578 3.194 1.00 0.00 H new ATOM 753 N SER A 53 0.091 -9.350 6.029 1.00 0.00 N ATOM 754 CA SER A 53 1.271 -9.754 6.786 1.00 0.00 C ATOM 755 C SER A 53 2.487 -8.936 6.366 1.00 0.00 C ATOM 756 O SER A 53 2.409 -8.143 5.430 1.00 0.00 O ATOM 757 CB SER A 53 1.539 -11.254 6.604 1.00 0.00 C ATOM 758 OG SER A 53 2.428 -11.703 7.612 1.00 0.00 O ATOM 0 H SER A 53 0.297 -8.830 5.176 1.00 0.00 H new ATOM 0 HA SER A 53 1.082 -9.564 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.603 -11.810 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.966 -11.441 5.619 1.00 0.00 H new ATOM 0 HG SER A 53 2.597 -12.661 7.496 1.00 0.00 H new ATOM 764 N GLY A 54 3.610 -9.156 7.052 1.00 0.00 N ATOM 765 CA GLY A 54 4.798 -8.321 6.957 1.00 0.00 C ATOM 766 C GLY A 54 4.567 -6.986 7.664 1.00 0.00 C ATOM 767 O GLY A 54 3.672 -6.858 8.500 1.00 0.00 O ATOM 0 H GLY A 54 3.716 -9.936 7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.649 -8.835 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.046 -8.147 5.910 1.00 0.00 H new ATOM 771 N SER A 55 5.371 -5.976 7.333 1.00 0.00 N ATOM 772 CA SER A 55 5.189 -4.611 7.785 1.00 0.00 C ATOM 773 C SER A 55 5.858 -3.699 6.764 1.00 0.00 C ATOM 774 O SER A 55 6.767 -4.141 6.055 1.00 0.00 O ATOM 775 CB SER A 55 5.831 -4.409 9.158 1.00 0.00 C ATOM 776 OG SER A 55 5.392 -5.384 10.085 1.00 0.00 O ATOM 0 H SER A 55 6.184 -6.095 6.729 1.00 0.00 H new ATOM 0 HA SER A 55 4.127 -4.383 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.916 -4.457 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.587 -3.414 9.532 1.00 0.00 H new ATOM 0 HG SER A 55 5.822 -5.228 10.952 1.00 0.00 H new ATOM 782 N ILE A 56 5.408 -2.445 6.710 1.00 0.00 N ATOM 783 CA ILE A 56 5.953 -1.390 5.883 1.00 0.00 C ATOM 784 C ILE A 56 5.946 -0.103 6.702 1.00 0.00 C ATOM 785 O ILE A 56 5.269 -0.049 7.730 1.00 0.00 O ATOM 786 CB ILE A 56 5.126 -1.245 4.600 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.687 -0.768 4.815 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.081 -2.552 3.813 1.00 0.00 C ATOM 789 CD1 ILE A 56 3.037 -0.536 3.442 1.00 0.00 C ATOM 0 H ILE A 56 4.616 -2.132 7.271 1.00 0.00 H new ATOM 0 HA ILE A 56 6.974 -1.622 5.582 1.00 0.00 H new ATOM 0 HB ILE A 56 5.648 -0.469 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.123 -1.510 5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.677 0.152 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.487 -2.413 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.094 -2.847 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.630 -3.331 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.011 -0.196 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.601 0.220 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.038 -1.468 2.877 1.00 0.00 H new ATOM 801 N ASP A 57 6.659 0.922 6.236 1.00 0.00 N ATOM 802 CA ASP A 57 6.672 2.237 6.846 1.00 0.00 C ATOM 803 C ASP A 57 5.819 3.151 5.975 1.00 0.00 C ATOM 804 O ASP A 57 6.218 3.478 4.857 1.00 0.00 O ATOM 805 CB ASP A 57 8.116 2.746 6.952 1.00 0.00 C ATOM 806 CG ASP A 57 8.178 4.216 7.353 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.133 4.741 7.798 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.273 4.799 7.220 1.00 0.00 O ATOM 0 H ASP A 57 7.252 0.853 5.409 1.00 0.00 H new ATOM 0 HA ASP A 57 6.265 2.210 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.658 2.148 7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.619 2.610 5.995 1.00 0.00 H new ATOM 813 N GLN A 58 4.644 3.539 6.479 1.00 0.00 N ATOM 814 CA GLN A 58 3.856 4.634 5.948 1.00 0.00 C ATOM 815 C GLN A 58 3.817 5.762 6.989 1.00 0.00 C ATOM 816 O GLN A 58 2.748 6.148 7.462 1.00 0.00 O ATOM 817 CB GLN A 58 2.470 4.094 5.586 1.00 0.00 C ATOM 818 CG GLN A 58 1.883 3.324 6.765 1.00 0.00 C ATOM 819 CD GLN A 58 0.370 3.222 6.742 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.338 3.757 5.892 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.127 2.451 7.691 1.00 0.00 N ATOM 0 H GLN A 58 4.213 3.085 7.284 1.00 0.00 H new ATOM 0 HA GLN A 58 4.291 5.053 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.810 4.918 5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.541 3.442 4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.305 2.319 6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.190 3.809 7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.494 2.024 8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.132 2.282 7.736 1.00 0.00 H new ATOM 830 N SER A 59 4.983 6.281 7.380 1.00 0.00 N ATOM 831 CA SER A 59 5.082 7.450 8.246 1.00 0.00 C ATOM 832 C SER A 59 5.237 8.720 7.407 1.00 0.00 C ATOM 833 O SER A 59 6.141 9.515 7.660 1.00 0.00 O ATOM 834 CB SER A 59 6.262 7.283 9.212 1.00 0.00 C ATOM 835 OG SER A 59 6.181 6.033 9.866 1.00 0.00 O ATOM 0 H SER A 59 5.887 5.898 7.102 1.00 0.00 H new ATOM 0 HA SER A 59 4.167 7.542 8.831 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.202 7.356 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.257 8.088 9.947 1.00 0.00 H new ATOM 0 HG SER A 59 6.697 5.368 9.365 1.00 0.00 H new ATOM 901 N LEU A 64 -4.510 7.733 7.187 1.00 0.00 N ATOM 902 CA LEU A 64 -5.007 6.635 8.001 1.00 0.00 C ATOM 903 C LEU A 64 -4.797 6.943 9.475 1.00 0.00 C ATOM 904 O LEU A 64 -3.773 7.506 9.862 1.00 0.00 O ATOM 905 CB LEU A 64 -4.398 5.266 7.670 1.00 0.00 C ATOM 906 CG LEU A 64 -5.063 4.579 6.475 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.555 5.182 5.172 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.710 3.093 6.513 1.00 0.00 C ATOM 0 HA LEU A 64 -6.068 6.556 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.335 5.390 7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.480 4.619 8.544 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.143 4.717 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.035 4.685 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.790 6.246 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.475 5.047 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.176 2.587 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.628 2.974 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.074 2.656 7.443 1.00 0.00 H new ATOM 920 N ASP A 65 -5.770 6.521 10.273 1.00 0.00 N ATOM 921 CA ASP A 65 -5.743 6.641 11.718 1.00 0.00 C ATOM 922 C ASP A 65 -5.172 5.365 12.327 1.00 0.00 C ATOM 923 O ASP A 65 -5.062 4.327 11.667 1.00 0.00 O ATOM 924 CB ASP A 65 -7.151 6.912 12.262 1.00 0.00 C ATOM 925 CG ASP A 65 -7.638 8.323 11.967 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.117 9.249 12.626 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.542 8.448 11.112 1.00 0.00 O ATOM 0 H ASP A 65 -6.618 6.076 9.921 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.106 7.482 11.992 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.847 6.194 11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.156 6.749 13.340 1.00 0.00 H new ATOM 932 N ASP A 66 -4.853 5.449 13.619 1.00 0.00 N ATOM 933 CA ASP A 66 -4.284 4.371 14.409 1.00 0.00 C ATOM 934 C ASP A 66 -5.195 3.160 14.305 1.00 0.00 C ATOM 935 O ASP A 66 -4.729 2.040 14.123 1.00 0.00 O ATOM 936 CB ASP A 66 -4.159 4.803 15.876 1.00 0.00 C ATOM 937 CG ASP A 66 -3.249 6.008 16.044 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.707 7.103 15.654 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.124 5.814 16.553 1.00 0.00 O ATOM 0 H ASP A 66 -4.991 6.304 14.158 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.291 4.124 14.034 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.148 5.039 16.269 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.772 3.972 16.466 1.00 0.00 H new ATOM 944 N GLU A 67 -6.503 3.414 14.401 1.00 0.00 N ATOM 945 CA GLU A 67 -7.531 2.401 14.320 1.00 0.00 C ATOM 946 C GLU A 67 -7.324 1.570 13.064 1.00 0.00 C ATOM 947 O GLU A 67 -7.109 0.370 13.142 1.00 0.00 O ATOM 948 CB GLU A 67 -8.927 3.042 14.314 1.00 0.00 C ATOM 949 CG GLU A 67 -9.021 4.390 15.026 1.00 0.00 C ATOM 950 CD GLU A 67 -10.473 4.726 15.348 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.292 4.635 14.408 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.742 5.031 16.529 1.00 0.00 O ATOM 0 H GLU A 67 -6.873 4.354 14.540 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.462 1.755 15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.247 3.171 13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.629 2.352 14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.436 4.364 15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.592 5.170 14.397 1.00 0.00 H new ATOM 959 N GLN A 68 -7.391 2.218 11.902 1.00 0.00 N ATOM 960 CA GLN A 68 -7.244 1.573 10.616 1.00 0.00 C ATOM 961 C GLN A 68 -5.925 0.804 10.536 1.00 0.00 C ATOM 962 O GLN A 68 -5.913 -0.374 10.180 1.00 0.00 O ATOM 963 CB GLN A 68 -7.354 2.636 9.530 1.00 0.00 C ATOM 964 CG GLN A 68 -8.748 3.261 9.552 1.00 0.00 C ATOM 965 CD GLN A 68 -8.797 4.548 8.764 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.797 5.236 8.614 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.969 4.874 8.255 1.00 0.00 N ATOM 0 H GLN A 68 -7.552 3.223 11.836 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.035 0.837 10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.598 3.406 9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.161 2.192 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.470 2.555 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.044 3.454 10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.776 4.269 8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.068 5.731 7.710 1.00 0.00 H new ATOM 976 N MET A 69 -4.805 1.454 10.863 1.00 0.00 N ATOM 977 CA MET A 69 -3.521 0.776 10.887 1.00 0.00 C ATOM 978 C MET A 69 -3.587 -0.520 11.705 1.00 0.00 C ATOM 979 O MET A 69 -3.397 -1.607 11.158 1.00 0.00 O ATOM 980 CB MET A 69 -2.454 1.736 11.419 1.00 0.00 C ATOM 981 CG MET A 69 -2.258 2.966 10.526 1.00 0.00 C ATOM 982 SD MET A 69 -1.149 4.205 11.235 1.00 0.00 S ATOM 983 CE MET A 69 -1.175 5.394 9.886 1.00 0.00 C ATOM 0 H MET A 69 -4.768 2.442 11.112 1.00 0.00 H new ATOM 0 HA MET A 69 -3.251 0.483 9.872 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.733 2.062 12.421 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.507 1.204 11.509 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.863 2.646 9.562 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.228 3.425 10.336 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.803 6.355 10.241 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.541 5.037 9.074 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.196 5.511 9.524 1.00 0.00 H new ATOM 993 N ASP A 70 -3.903 -0.404 12.997 1.00 0.00 N ATOM 994 CA ASP A 70 -3.972 -1.517 13.939 1.00 0.00 C ATOM 995 C ASP A 70 -4.915 -2.603 13.422 1.00 0.00 C ATOM 996 O ASP A 70 -4.609 -3.794 13.432 1.00 0.00 O ATOM 997 CB ASP A 70 -4.477 -0.990 15.288 1.00 0.00 C ATOM 998 CG ASP A 70 -4.427 -2.086 16.342 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.316 -2.316 16.866 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.497 -2.676 16.600 1.00 0.00 O ATOM 0 H ASP A 70 -4.124 0.494 13.426 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.980 -1.953 14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.867 -0.144 15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.499 -0.625 15.183 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.062 -2.147 12.920 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.141 -2.960 12.389 1.00 0.00 C ATOM 1007 C ALA A 71 -6.695 -3.790 11.188 1.00 0.00 C ATOM 1008 O ALA A 71 -7.336 -4.795 10.881 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.301 -2.046 11.995 1.00 0.00 C ATOM 0 H ALA A 71 -6.268 -1.149 12.873 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.456 -3.660 13.163 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.118 -2.647 11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.648 -1.500 12.872 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.965 -1.338 11.237 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.631 -3.374 10.495 1.00 0.00 N ATOM 1016 CA GLY A 72 -5.050 -4.136 9.412 1.00 0.00 C ATOM 1017 C GLY A 72 -5.044 -3.360 8.112 1.00 0.00 C ATOM 1018 O GLY A 72 -5.117 -3.994 7.070 1.00 0.00 O ATOM 0 H GLY A 72 -5.153 -2.492 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.029 -4.415 9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.610 -5.062 9.279 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.972 -2.025 8.127 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.999 -1.217 6.910 1.00 0.00 C ATOM 1024 C TYR A 73 -3.716 -0.415 6.702 1.00 0.00 C ATOM 1025 O TYR A 73 -2.903 -0.268 7.611 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.220 -0.313 6.916 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.513 -1.093 6.895 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.956 -1.657 5.687 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.353 -1.112 8.020 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.277 -2.113 5.575 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.681 -1.547 7.900 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.167 -1.975 6.656 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.418 -2.512 6.585 1.00 0.00 O ATOM 0 H TYR A 73 -4.893 -1.477 8.984 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.065 -1.901 6.064 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.195 0.321 7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.184 0.348 6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.281 -1.739 4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.976 -0.791 8.980 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.612 -2.571 4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.328 -1.552 8.764 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.063 -1.809 6.360 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.528 0.099 5.485 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.343 0.839 5.088 1.00 0.00 C ATOM 1045 C VAL A 74 -2.667 1.702 3.872 1.00 0.00 C ATOM 1046 O VAL A 74 -3.483 1.292 3.050 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.218 -0.163 4.814 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.529 -1.175 3.708 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.095 0.521 4.475 1.00 0.00 C ATOM 0 H VAL A 74 -4.214 0.007 4.736 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.013 1.512 5.879 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.128 -0.707 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.680 -1.846 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.411 -1.754 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.718 -0.646 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.860 -0.232 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.034 1.135 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.402 1.152 5.309 1.00 0.00 H new ATOM 1119 N ALA A 79 4.364 4.697 0.926 1.00 0.00 N ATOM 1120 CA ALA A 79 4.708 3.656 1.877 1.00 0.00 C ATOM 1121 C ALA A 79 5.907 2.878 1.350 1.00 0.00 C ATOM 1122 O ALA A 79 5.954 2.582 0.156 1.00 0.00 O ATOM 1123 CB ALA A 79 3.510 2.737 2.091 1.00 0.00 C ATOM 0 HA ALA A 79 4.971 4.098 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.773 1.957 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.672 3.316 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.228 2.280 1.142 1.00 0.00 H new ATOM 1129 N TYR A 80 6.856 2.560 2.233 1.00 0.00 N ATOM 1130 CA TYR A 80 8.100 1.864 1.916 1.00 0.00 C ATOM 1131 C TYR A 80 8.074 0.452 2.501 1.00 0.00 C ATOM 1132 O TYR A 80 7.860 0.303 3.707 1.00 0.00 O ATOM 1133 CB TYR A 80 9.263 2.607 2.569 1.00 0.00 C ATOM 1134 CG TYR A 80 9.558 3.956 1.960 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.200 4.019 0.713 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.200 5.142 2.627 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.444 5.261 0.110 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.527 6.386 2.060 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.150 6.445 0.803 1.00 0.00 C ATOM 1140 OH TYR A 80 10.444 7.652 0.241 1.00 0.00 O ATOM 0 H TYR A 80 6.774 2.789 3.223 1.00 0.00 H new ATOM 0 HA TYR A 80 8.213 1.822 0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.045 2.740 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.158 1.988 2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.506 3.110 0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.676 5.097 3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.858 5.306 -0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.299 7.298 2.592 1.00 0.00 H new ATOM 0 HH TYR A 80 9.639 8.023 -0.178 1.00 0.00 H new ATOM 1150 N PRO A 81 8.301 -0.584 1.683 1.00 0.00 N ATOM 1151 CA PRO A 81 8.302 -1.958 2.144 1.00 0.00 C ATOM 1152 C PRO A 81 9.553 -2.268 2.963 1.00 0.00 C ATOM 1153 O PRO A 81 10.659 -2.215 2.439 1.00 0.00 O ATOM 1154 CB PRO A 81 8.204 -2.832 0.896 1.00 0.00 C ATOM 1155 CG PRO A 81 8.545 -1.913 -0.273 1.00 0.00 C ATOM 1156 CD PRO A 81 8.499 -0.490 0.249 1.00 0.00 C ATOM 0 HA PRO A 81 7.462 -2.150 2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.897 -3.672 0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.203 -3.250 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.533 -2.146 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.834 -2.047 -1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.425 0.038 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.689 0.069 -0.219 1.00 0.00 H new ATOM 1164 N THR A 82 9.391 -2.619 4.241 1.00 0.00 N ATOM 1165 CA THR A 82 10.517 -2.882 5.125 1.00 0.00 C ATOM 1166 C THR A 82 10.941 -4.355 5.082 1.00 0.00 C ATOM 1167 O THR A 82 12.082 -4.660 5.432 1.00 0.00 O ATOM 1168 CB THR A 82 10.179 -2.384 6.537 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.858 -2.718 6.921 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.283 -0.856 6.577 1.00 0.00 C ATOM 0 H THR A 82 8.479 -2.727 4.685 1.00 0.00 H new ATOM 0 HA THR A 82 11.390 -2.328 4.779 1.00 0.00 H new ATOM 0 HB THR A 82 10.884 -2.862 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.566 -3.514 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.043 -0.501 7.579 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.298 -0.553 6.318 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.582 -0.425 5.862 1.00 0.00 H new ATOM 1178 N SER A 83 10.051 -5.235 4.606 1.00 0.00 N ATOM 1179 CA SER A 83 10.277 -6.653 4.372 1.00 0.00 C ATOM 1180 C SER A 83 9.298 -7.099 3.284 1.00 0.00 C ATOM 1181 O SER A 83 8.546 -6.274 2.765 1.00 0.00 O ATOM 1182 CB SER A 83 10.063 -7.454 5.666 1.00 0.00 C ATOM 1183 OG SER A 83 10.999 -7.075 6.655 1.00 0.00 O ATOM 0 H SER A 83 9.102 -4.953 4.362 1.00 0.00 H new ATOM 0 HA SER A 83 11.304 -6.831 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.051 -7.291 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.159 -8.520 5.459 1.00 0.00 H new ATOM 0 HG SER A 83 10.843 -7.596 7.470 1.00 0.00 H new ATOM 1189 N ASP A 84 9.281 -8.394 2.966 1.00 0.00 N ATOM 1190 CA ASP A 84 8.212 -9.050 2.232 1.00 0.00 C ATOM 1191 C ASP A 84 6.900 -8.831 2.995 1.00 0.00 C ATOM 1192 O ASP A 84 6.736 -9.285 4.125 1.00 0.00 O ATOM 1193 CB ASP A 84 8.548 -10.542 2.061 1.00 0.00 C ATOM 1194 CG ASP A 84 8.904 -11.247 3.369 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.811 -10.721 4.058 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.302 -12.310 3.628 1.00 0.00 O ATOM 0 H ASP A 84 10.036 -9.030 3.222 1.00 0.00 H new ATOM 0 HA ASP A 84 8.102 -8.629 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.696 -11.047 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.383 -10.640 1.367 1.00 0.00 H new ATOM 1201 N VAL A 85 5.987 -8.070 2.391 1.00 0.00 N ATOM 1202 CA VAL A 85 4.685 -7.710 2.939 1.00 0.00 C ATOM 1203 C VAL A 85 3.590 -8.218 2.003 1.00 0.00 C ATOM 1204 O VAL A 85 3.742 -8.213 0.781 1.00 0.00 O ATOM 1205 CB VAL A 85 4.623 -6.187 3.205 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.206 -5.408 2.021 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.218 -5.651 3.548 1.00 0.00 C ATOM 0 H VAL A 85 6.145 -7.671 1.465 1.00 0.00 H new ATOM 0 HA VAL A 85 4.524 -8.189 3.905 1.00 0.00 H new ATOM 0 HB VAL A 85 5.229 -6.028 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.153 -4.339 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.246 -5.698 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.634 -5.632 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.270 -4.576 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.539 -5.854 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.850 -6.144 4.448 1.00 0.00 H new ATOM 1217 N VAL A 86 2.482 -8.668 2.592 1.00 0.00 N ATOM 1218 CA VAL A 86 1.285 -9.034 1.865 1.00 0.00 C ATOM 1219 C VAL A 86 0.215 -8.049 2.292 1.00 0.00 C ATOM 1220 O VAL A 86 -0.009 -7.868 3.490 1.00 0.00 O ATOM 1221 CB VAL A 86 0.876 -10.480 2.173 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.347 -10.883 1.333 1.00 0.00 C ATOM 1223 CG2 VAL A 86 2.041 -11.433 1.866 1.00 0.00 C ATOM 0 H VAL A 86 2.398 -8.787 3.602 1.00 0.00 H new ATOM 0 HA VAL A 86 1.444 -8.990 0.788 1.00 0.00 H new ATOM 0 HB VAL A 86 0.620 -10.547 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.624 -11.912 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.182 -10.222 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.104 -10.802 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.741 -12.457 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.308 -11.353 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.901 -11.166 2.480 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.421 -7.404 1.321 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.476 -6.445 1.529 1.00 0.00 C ATOM 1235 C ILE A 87 -2.557 -6.690 0.471 1.00 0.00 C ATOM 1236 O ILE A 87 -2.257 -7.224 -0.594 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.856 -5.031 1.540 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.873 -3.897 1.383 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.327 -4.827 0.589 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -2.071 -3.603 -0.096 1.00 0.00 C ATOM 0 H ILE A 87 -0.201 -7.546 0.335 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.975 -6.550 2.493 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.451 -4.973 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.822 -4.178 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.522 -3.004 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.689 -3.802 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.128 -5.518 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.007 -5.016 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.794 -2.796 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.120 -3.305 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.440 -4.497 -0.598 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.804 -6.300 0.744 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.900 -6.303 -0.221 1.00 0.00 C ATOM 1254 C GLU A 88 -5.199 -4.874 -0.645 1.00 0.00 C ATOM 1255 O GLU A 88 -5.649 -4.090 0.177 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.177 -6.887 0.384 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.002 -8.088 1.308 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.317 -8.488 1.972 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.232 -7.629 2.006 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.394 -9.642 2.434 1.00 0.00 O ATOM 0 H GLU A 88 -4.084 -5.965 1.666 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.593 -6.914 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.683 -6.098 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.840 -7.177 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.611 -8.931 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.264 -7.852 2.075 1.00 0.00 H new ATOM 1267 N THR A 89 -4.984 -4.514 -1.902 1.00 0.00 N ATOM 1268 CA THR A 89 -5.284 -3.166 -2.374 1.00 0.00 C ATOM 1269 C THR A 89 -6.797 -2.973 -2.550 1.00 0.00 C ATOM 1270 O THR A 89 -7.565 -3.918 -2.392 1.00 0.00 O ATOM 1271 CB THR A 89 -4.520 -2.941 -3.681 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.730 -4.045 -4.538 1.00 0.00 O ATOM 1273 CG2 THR A 89 -3.022 -2.801 -3.421 1.00 0.00 C ATOM 0 H THR A 89 -4.603 -5.135 -2.615 1.00 0.00 H new ATOM 0 HA THR A 89 -4.965 -2.426 -1.640 1.00 0.00 H new ATOM 0 HB THR A 89 -4.886 -2.023 -4.140 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.477 -3.852 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.502 -2.642 -4.366 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.845 -1.951 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.648 -3.710 -2.950 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.216 -1.755 -2.920 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.606 -1.398 -3.209 1.00 0.00 C ATOM 1283 C HIS A 90 -9.447 -1.422 -1.931 1.00 0.00 C ATOM 1284 O HIS A 90 -10.478 -2.089 -1.878 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.229 -2.269 -4.323 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.507 -2.312 -5.651 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.153 -2.455 -5.852 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.101 -2.388 -6.884 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.933 -2.610 -7.166 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.094 -2.573 -7.836 1.00 0.00 N ATOM 0 H HIS A 90 -6.575 -0.969 -3.029 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.602 -0.379 -3.595 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.309 -3.290 -3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.244 -1.914 -4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.160 -2.317 -7.085 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.962 -2.745 -7.619 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.218 -2.662 -8.844 1.00 0.00 H new ATOM 1298 N LYS A 91 -9.002 -0.698 -0.895 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.657 -0.668 0.411 1.00 0.00 C ATOM 1300 C LYS A 91 -9.958 0.756 0.858 1.00 0.00 C ATOM 1301 O LYS A 91 -10.043 1.020 2.052 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.788 -1.401 1.437 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.434 -2.798 0.930 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.649 -3.704 0.861 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.331 -4.962 0.055 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.881 -6.184 0.678 1.00 0.00 N ATOM 0 H LYS A 91 -8.168 -0.112 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.616 -1.179 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.877 -0.833 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.318 -1.475 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.983 -2.721 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.687 -3.243 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.963 -3.979 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.482 -3.171 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.735 -4.857 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.250 -5.063 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.009 -6.917 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.223 -6.529 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.799 -5.967 1.116 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.158 1.665 -0.094 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.559 3.029 0.198 1.00 0.00 C ATOM 1322 C GLU A 92 -11.865 2.992 1.006 1.00 0.00 C ATOM 1323 O GLU A 92 -11.883 3.282 2.205 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.617 3.788 -1.136 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.009 5.266 -0.987 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.471 5.565 -1.296 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -13.221 4.600 -1.548 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -12.795 6.771 -1.297 1.00 0.00 O ATOM 0 H GLU A 92 -10.045 1.471 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.852 3.572 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.643 3.726 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.333 3.295 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.793 5.585 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.381 5.864 -1.648 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.942 2.496 0.400 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.240 2.433 1.053 1.00 0.00 C ATOM 1337 C GLU A 93 -14.349 1.321 2.117 1.00 0.00 C ATOM 1338 O GLU A 93 -15.453 1.000 2.548 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.338 2.323 -0.020 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.273 1.012 -0.823 1.00 0.00 C ATOM 1341 CD GLU A 93 -16.306 0.971 -1.946 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.457 1.379 -1.684 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -15.928 0.511 -3.046 1.00 0.00 O ATOM 0 H GLU A 93 -12.936 2.129 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.374 3.357 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.314 2.400 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.252 3.166 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.275 0.896 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.435 0.169 -0.152 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.225 0.730 2.551 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.164 -0.248 3.621 1.00 0.00 C ATOM 1352 C GLU A 94 -12.612 0.404 4.886 1.00 0.00 C ATOM 1353 O GLU A 94 -12.728 -0.196 5.956 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.233 -1.402 3.210 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.925 -2.629 2.593 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.704 -3.875 3.452 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.525 -4.260 3.639 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -13.693 -4.430 3.966 1.00 0.00 O ATOM 0 H GLU A 94 -12.311 0.934 2.147 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.167 -0.629 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.505 -1.020 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.676 -1.726 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.993 -2.436 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.538 -2.802 1.589 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.941 1.558 4.768 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.294 2.187 5.901 1.00 0.00 C ATOM 1367 C ILE A 95 -12.139 3.327 6.459 1.00 0.00 C ATOM 1368 O ILE A 95 -12.213 3.482 7.678 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.831 2.547 5.595 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.676 3.590 4.493 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -9.078 1.257 5.257 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.294 4.227 4.475 1.00 0.00 C ATOM 0 H ILE A 95 -11.839 2.068 3.890 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.229 1.464 6.714 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.404 3.015 6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.869 3.123 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.428 4.368 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.036 1.491 5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.125 0.575 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.536 0.786 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.242 4.961 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.108 4.721 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.540 3.457 4.312 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.751 4.117 5.577 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.587 5.240 5.976 1.00 0.00 C ATOM 1386 C VAL A 96 -14.999 4.750 6.316 1.00 0.00 C ATOM 1387 O VAL A 96 -15.749 5.554 6.912 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.582 6.333 4.890 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.152 6.792 4.552 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.289 5.881 3.606 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.309 3.589 5.967 1.00 0.00 O ATOM 0 H VAL A 96 -12.679 3.993 4.567 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.178 5.695 6.878 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.135 7.173 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.190 7.563 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.678 7.195 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.574 5.943 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.259 6.686 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.785 5.003 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.326 5.633 3.830 1.00 0.00 H new