USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 658 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 75 ASN : amide:sc= -3.31! C(o=-9.3!,f=-19!) USER MOD Set 1.2: A 77 THR OG1 : rot 95:sc= -5.95! USER MOD Set 2.1: A 8 CYS SG : rot 156:sc= -3.96 USER MOD Set 2.2: A 10 HIS : no HD1:sc= -2.81! C(o=-21!,f=-25!) USER MOD Set 2.3: A 71 ASN :FLIP amide:sc= -4.28! C(o=-26!,f=-21!) USER MOD Set 2.4: A 83 CYS SG : rot -156:sc= -3.11! USER MOD Set 2.5: A 86 CYS SG : rot 133:sc= -6.56! USER MOD Set 3.1: A 43 CYS SG : rot 141:sc= -2.07 USER MOD Set 3.2: A 45 GLN : amide:sc= -3.11 K(o=-11,f=-12) USER MOD Set 3.3: A 48 CYS SG : rot -150:sc= 0.162 USER MOD Set 3.4: A 64 HIS : no HE2:sc= -2.71 K(o=-11,f=-12) USER MOD Set 3.5: A 70 HIS : no HE2:sc= -2.89 X(o=-11,f=-11) USER MOD Set 4.1: A 61 SER OG : rot 148:sc= -3.87! USER MOD Set 4.2: A 73 THR OG1 : rot -118:sc= 0.935 USER MOD Set 5.1: A 39 ASN : amide:sc=-0.00246 X(o=-1.6,f=-1.5) USER MOD Set 5.2: A 56 SER OG : rot -145:sc= -1.62 USER MOD Set 6.1: A 30 CYS SG : rot -154:sc= -1.26! USER MOD Set 6.2: A 33 CYS SG : rot -146:sc= 0.185 USER MOD Set 6.3: A 53 CYS SG : rot -115:sc= 1.54 USER MOD Set 6.4: A 60 HIS :FLIP no HD1:sc= -1.82 F(o=-3.7!,f=-1.4) USER MOD Set 7.1: A 31 GLN : amide:sc= -8.01! C(o=-7.8!,f=-9.7!) USER MOD Set 7.2: A 32 SER OG : rot 104:sc= 0.226 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -117:sc= 1.13 (180deg=0.0159) USER MOD Single : A 26 SER OG : rot -49:sc= -0.759 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 36 THR OG1 : rot -94:sc= -0.69! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -140:sc= -4.87! USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= -0.194 (180deg=-0.865) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= -0.0533 (180deg=-0.843) USER MOD Single : A 78 THR OG1 : rot -100:sc= 0.261 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -121:sc= -0.743 (180deg=-2.57!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.603 6.202 5.383 1.00 0.00 N ATOM 73 CA ASP A 6 11.178 6.065 4.969 1.00 0.00 C ATOM 74 C ASP A 6 11.039 4.866 4.027 1.00 0.00 C ATOM 75 O ASP A 6 9.991 4.261 3.923 1.00 0.00 O ATOM 76 CB ASP A 6 10.748 7.346 4.242 1.00 0.00 C ATOM 77 CG ASP A 6 9.331 7.739 4.666 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.033 8.922 4.638 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.569 6.852 5.013 1.00 0.00 O ATOM 0 HA ASP A 6 10.547 5.910 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.442 8.154 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.784 7.191 3.164 1.00 0.00 H new ATOM 84 N LEU A 7 12.088 4.528 3.330 1.00 0.00 N ATOM 85 CA LEU A 7 12.021 3.379 2.384 1.00 0.00 C ATOM 86 C LEU A 7 12.008 2.057 3.167 1.00 0.00 C ATOM 87 O LEU A 7 12.427 1.995 4.305 1.00 0.00 O ATOM 88 CB LEU A 7 13.218 3.457 1.407 1.00 0.00 C ATOM 89 CG LEU A 7 14.391 2.534 1.815 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.743 2.704 3.304 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.047 1.064 1.515 1.00 0.00 C ATOM 0 H LEU A 7 12.991 4.999 3.375 1.00 0.00 H new ATOM 0 HA LEU A 7 11.101 3.423 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.881 3.187 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.573 4.486 1.357 1.00 0.00 H new ATOM 0 HG LEU A 7 15.262 2.821 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.571 2.042 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.033 3.738 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.875 2.453 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.882 0.428 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.158 0.777 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.857 0.945 0.448 1.00 0.00 H new ATOM 103 N CYS A 8 11.524 1.002 2.559 1.00 0.00 N ATOM 104 CA CYS A 8 11.477 -0.326 3.247 1.00 0.00 C ATOM 105 C CYS A 8 12.185 -1.361 2.361 1.00 0.00 C ATOM 106 O CYS A 8 12.341 -1.166 1.175 1.00 0.00 O ATOM 107 CB CYS A 8 10.009 -0.744 3.496 1.00 0.00 C ATOM 108 SG CYS A 8 9.662 -2.345 2.698 1.00 0.00 S ATOM 0 H CYS A 8 11.156 1.004 1.608 1.00 0.00 H new ATOM 0 HA CYS A 8 11.980 -0.263 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.821 -0.816 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.335 0.018 3.105 1.00 0.00 H new ATOM 0 HG CYS A 8 8.669 -2.925 3.303 1.00 0.00 H new ATOM 113 N PRO A 9 12.618 -2.449 2.935 1.00 0.00 N ATOM 114 CA PRO A 9 13.331 -3.533 2.190 1.00 0.00 C ATOM 115 C PRO A 9 12.512 -4.025 0.995 1.00 0.00 C ATOM 116 O PRO A 9 12.954 -4.004 -0.136 1.00 0.00 O ATOM 117 CB PRO A 9 13.474 -4.654 3.236 1.00 0.00 C ATOM 118 CG PRO A 9 12.481 -4.312 4.295 1.00 0.00 C ATOM 119 CD PRO A 9 12.467 -2.793 4.349 1.00 0.00 C ATOM 0 HA PRO A 9 14.283 -3.196 1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.267 -5.631 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.486 -4.693 3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.494 -4.707 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.768 -4.738 5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.538 -2.406 4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.281 -2.397 4.957 1.00 0.00 H new ATOM 127 N HIS A 10 11.315 -4.464 1.256 1.00 0.00 N ATOM 128 CA HIS A 10 10.435 -4.963 0.157 1.00 0.00 C ATOM 129 C HIS A 10 9.869 -3.771 -0.616 1.00 0.00 C ATOM 130 O HIS A 10 9.127 -3.927 -1.565 1.00 0.00 O ATOM 131 CB HIS A 10 9.284 -5.790 0.755 1.00 0.00 C ATOM 132 CG HIS A 10 9.767 -6.499 1.988 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.735 -5.913 3.254 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.294 -7.755 2.166 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.234 -6.820 4.119 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.586 -7.950 3.507 1.00 0.00 N ATOM 0 H HIS A 10 10.902 -4.500 2.188 1.00 0.00 H new ATOM 0 HA HIS A 10 11.013 -5.592 -0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.444 -5.140 1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.923 -6.514 0.024 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.456 -8.479 1.382 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.336 -6.650 5.181 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.987 -8.784 3.936 1.00 0.00 H new ATOM 144 N LEU A 11 10.213 -2.581 -0.210 1.00 0.00 N ATOM 145 CA LEU A 11 9.696 -1.370 -0.906 1.00 0.00 C ATOM 146 C LEU A 11 10.328 -1.264 -2.294 1.00 0.00 C ATOM 147 O LEU A 11 9.761 -0.691 -3.203 1.00 0.00 O ATOM 148 CB LEU A 11 10.049 -0.135 -0.075 1.00 0.00 C ATOM 149 CG LEU A 11 9.260 1.089 -0.571 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.784 1.923 0.625 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.155 1.950 -1.471 1.00 0.00 C ATOM 0 H LEU A 11 10.833 -2.394 0.578 1.00 0.00 H new ATOM 0 HA LEU A 11 8.614 -1.439 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.824 -0.319 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.119 0.063 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 11 8.394 0.748 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.226 2.788 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.141 1.314 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.647 2.260 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.593 2.816 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.024 2.285 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.484 1.361 -2.327 1.00 0.00 H new ATOM 163 N ASP A 12 11.495 -1.816 -2.464 1.00 0.00 N ATOM 164 CA ASP A 12 12.163 -1.754 -3.794 1.00 0.00 C ATOM 165 C ASP A 12 11.683 -2.923 -4.655 1.00 0.00 C ATOM 166 O ASP A 12 11.803 -2.909 -5.864 1.00 0.00 O ATOM 167 CB ASP A 12 13.675 -1.861 -3.602 1.00 0.00 C ATOM 168 CG ASP A 12 14.373 -1.752 -4.959 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.202 -0.737 -5.612 1.00 0.00 O ATOM 170 OD2 ASP A 12 15.069 -2.687 -5.322 1.00 0.00 O ATOM 0 H ASP A 12 12.017 -2.308 -1.739 1.00 0.00 H new ATOM 0 HA ASP A 12 11.919 -0.812 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.024 -1.071 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.925 -2.810 -3.128 1.00 0.00 H new ATOM 175 N SER A 13 11.150 -3.942 -4.037 1.00 0.00 N ATOM 176 CA SER A 13 10.672 -5.121 -4.813 1.00 0.00 C ATOM 177 C SER A 13 9.275 -4.851 -5.381 1.00 0.00 C ATOM 178 O SER A 13 8.842 -5.496 -6.315 1.00 0.00 O ATOM 179 CB SER A 13 10.618 -6.340 -3.893 1.00 0.00 C ATOM 180 OG SER A 13 10.429 -7.513 -4.674 1.00 0.00 O ATOM 0 H SER A 13 11.025 -4.009 -3.027 1.00 0.00 H new ATOM 0 HA SER A 13 11.359 -5.307 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.541 -6.417 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.804 -6.232 -3.176 1.00 0.00 H new ATOM 0 HG SER A 13 10.396 -8.296 -4.086 1.00 0.00 H new ATOM 186 N ILE A 14 8.560 -3.910 -4.824 1.00 0.00 N ATOM 187 CA ILE A 14 7.189 -3.615 -5.337 1.00 0.00 C ATOM 188 C ILE A 14 7.266 -2.640 -6.515 1.00 0.00 C ATOM 189 O ILE A 14 6.267 -2.095 -6.941 1.00 0.00 O ATOM 190 CB ILE A 14 6.360 -2.984 -4.224 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.117 -1.790 -3.645 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.117 -4.016 -3.121 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.173 -0.949 -2.782 1.00 0.00 C ATOM 0 H ILE A 14 8.864 -3.334 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 14 6.726 -4.545 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 14 5.403 -2.651 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.960 -2.137 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.527 -1.182 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.524 -3.565 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.580 -4.870 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.073 -4.349 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.717 -0.098 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.345 -0.589 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.784 -1.559 -1.967 1.00 0.00 H new ATOM 205 N GLY A 15 8.439 -2.418 -7.049 1.00 0.00 N ATOM 206 CA GLY A 15 8.577 -1.479 -8.204 1.00 0.00 C ATOM 207 C GLY A 15 7.658 -0.267 -8.010 1.00 0.00 C ATOM 208 O GLY A 15 7.509 0.241 -6.915 1.00 0.00 O ATOM 0 H GLY A 15 9.309 -2.847 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.612 -1.150 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.324 -1.992 -9.132 1.00 0.00 H new ATOM 212 N GLU A 16 7.039 0.197 -9.066 1.00 0.00 N ATOM 213 CA GLU A 16 6.125 1.374 -8.949 1.00 0.00 C ATOM 214 C GLU A 16 4.892 1.148 -9.829 1.00 0.00 C ATOM 215 O GLU A 16 4.933 1.324 -11.030 1.00 0.00 O ATOM 216 CB GLU A 16 6.863 2.646 -9.400 1.00 0.00 C ATOM 217 CG GLU A 16 5.857 3.779 -9.687 1.00 0.00 C ATOM 218 CD GLU A 16 5.558 3.843 -11.189 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.402 4.027 -11.535 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.488 3.710 -11.967 1.00 0.00 O ATOM 0 H GLU A 16 7.127 -0.189 -10.006 1.00 0.00 H new ATOM 0 HA GLU A 16 5.811 1.492 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.564 2.961 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.449 2.436 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.935 3.608 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.263 4.732 -9.347 1.00 0.00 H new ATOM 227 N VAL A 17 3.793 0.766 -9.237 1.00 0.00 N ATOM 228 CA VAL A 17 2.554 0.539 -10.032 1.00 0.00 C ATOM 229 C VAL A 17 2.084 1.884 -10.594 1.00 0.00 C ATOM 230 O VAL A 17 2.707 2.903 -10.374 1.00 0.00 O ATOM 231 CB VAL A 17 1.478 -0.063 -9.118 1.00 0.00 C ATOM 232 CG1 VAL A 17 0.992 1.001 -8.131 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.292 -0.568 -9.951 1.00 0.00 C ATOM 0 H VAL A 17 3.700 0.601 -8.235 1.00 0.00 H new ATOM 0 HA VAL A 17 2.744 -0.150 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 17 1.909 -0.902 -8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.228 0.573 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.830 1.346 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.571 1.843 -8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.463 -0.992 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.140 0.262 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.636 -1.333 -10.647 1.00 0.00 H new ATOM 243 N THR A 18 0.995 1.910 -11.314 1.00 0.00 N ATOM 244 CA THR A 18 0.517 3.206 -11.870 1.00 0.00 C ATOM 245 C THR A 18 0.136 4.128 -10.713 1.00 0.00 C ATOM 246 O THR A 18 -0.581 3.747 -9.813 1.00 0.00 O ATOM 247 CB THR A 18 -0.705 2.957 -12.768 1.00 0.00 C ATOM 248 OG1 THR A 18 -1.076 1.587 -12.687 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.365 3.303 -14.221 1.00 0.00 C ATOM 0 H THR A 18 0.421 1.097 -11.539 1.00 0.00 H new ATOM 0 HA THR A 18 1.303 3.672 -12.464 1.00 0.00 H new ATOM 0 HB THR A 18 -1.530 3.585 -12.433 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.856 1.425 -13.257 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.236 3.124 -14.851 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.079 4.353 -14.288 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.462 2.679 -14.560 1.00 0.00 H new ATOM 257 N LYS A 19 0.600 5.344 -10.737 1.00 0.00 N ATOM 258 CA LYS A 19 0.246 6.288 -9.643 1.00 0.00 C ATOM 259 C LYS A 19 -1.272 6.374 -9.611 1.00 0.00 C ATOM 260 O LYS A 19 -1.905 6.096 -8.612 1.00 0.00 O ATOM 261 CB LYS A 19 0.861 7.672 -9.915 1.00 0.00 C ATOM 262 CG LYS A 19 1.771 7.606 -11.151 1.00 0.00 C ATOM 263 CD LYS A 19 2.880 8.664 -11.047 1.00 0.00 C ATOM 264 CE LYS A 19 4.123 8.048 -10.391 1.00 0.00 C ATOM 265 NZ LYS A 19 5.010 9.135 -9.890 1.00 0.00 N ATOM 0 H LYS A 19 1.207 5.724 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 19 0.634 5.942 -8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.071 8.406 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.434 8.002 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.212 6.613 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.183 7.771 -12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.130 9.042 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.531 9.514 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.828 7.396 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.659 7.430 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.853 8.718 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.301 9.740 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.496 9.707 -9.190 1.00 0.00 H new ATOM 279 N GLU A 20 -1.859 6.717 -10.723 1.00 0.00 N ATOM 280 CA GLU A 20 -3.334 6.776 -10.797 1.00 0.00 C ATOM 281 C GLU A 20 -3.885 5.523 -10.129 1.00 0.00 C ATOM 282 O GLU A 20 -4.902 5.550 -9.475 1.00 0.00 O ATOM 283 CB GLU A 20 -3.767 6.828 -12.260 1.00 0.00 C ATOM 284 CG GLU A 20 -5.253 6.477 -12.386 1.00 0.00 C ATOM 285 CD GLU A 20 -5.626 6.360 -13.866 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.652 5.247 -14.364 1.00 0.00 O ATOM 287 OE2 GLU A 20 -5.879 7.387 -14.474 1.00 0.00 O ATOM 0 H GLU A 20 -1.372 6.959 -11.586 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.712 7.665 -10.293 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.586 7.824 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.170 6.131 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.461 5.538 -11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.861 7.244 -11.906 1.00 0.00 H new ATOM 294 N ASP A 21 -3.202 4.421 -10.270 1.00 0.00 N ATOM 295 CA ASP A 21 -3.685 3.175 -9.617 1.00 0.00 C ATOM 296 C ASP A 21 -3.930 3.488 -8.145 1.00 0.00 C ATOM 297 O ASP A 21 -4.909 3.074 -7.563 1.00 0.00 O ATOM 298 CB ASP A 21 -2.635 2.064 -9.755 1.00 0.00 C ATOM 299 CG ASP A 21 -3.320 0.698 -9.682 1.00 0.00 C ATOM 300 OD1 ASP A 21 -4.320 0.522 -10.357 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.831 -0.149 -8.951 1.00 0.00 O ATOM 0 H ASP A 21 -2.338 4.330 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.604 2.829 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.105 2.166 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.892 2.152 -8.963 1.00 0.00 H new ATOM 306 N LEU A 22 -3.056 4.247 -7.551 1.00 0.00 N ATOM 307 CA LEU A 22 -3.246 4.620 -6.125 1.00 0.00 C ATOM 308 C LEU A 22 -4.372 5.641 -6.048 1.00 0.00 C ATOM 309 O LEU A 22 -4.994 5.834 -5.022 1.00 0.00 O ATOM 310 CB LEU A 22 -1.954 5.226 -5.568 1.00 0.00 C ATOM 311 CG LEU A 22 -0.974 4.106 -5.214 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.708 3.248 -6.452 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.342 4.719 -4.727 1.00 0.00 C ATOM 0 H LEU A 22 -2.218 4.626 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.496 3.738 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.507 5.895 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.173 5.825 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.401 3.484 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.010 2.450 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.644 2.813 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.280 3.868 -7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.042 3.923 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.768 5.340 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.154 5.331 -3.845 1.00 0.00 H new ATOM 325 N LEU A 23 -4.634 6.293 -7.140 1.00 0.00 N ATOM 326 CA LEU A 23 -5.714 7.306 -7.174 1.00 0.00 C ATOM 327 C LEU A 23 -7.063 6.595 -7.312 1.00 0.00 C ATOM 328 O LEU A 23 -7.960 6.814 -6.521 1.00 0.00 O ATOM 329 CB LEU A 23 -5.448 8.241 -8.359 1.00 0.00 C ATOM 330 CG LEU A 23 -4.018 8.805 -8.248 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.825 9.929 -9.278 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.782 9.370 -6.840 1.00 0.00 C ATOM 0 H LEU A 23 -4.138 6.164 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.738 7.894 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.567 7.700 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.173 9.055 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.307 8.001 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.813 10.326 -9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.981 9.533 -10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.544 10.726 -9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.769 9.766 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.498 10.168 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.912 8.577 -6.103 1.00 0.00 H new ATOM 344 N LEU A 24 -7.223 5.719 -8.272 1.00 0.00 N ATOM 345 CA LEU A 24 -8.522 5.004 -8.369 1.00 0.00 C ATOM 346 C LEU A 24 -8.677 4.164 -7.117 1.00 0.00 C ATOM 347 O LEU A 24 -9.718 4.150 -6.514 1.00 0.00 O ATOM 348 CB LEU A 24 -8.595 4.108 -9.612 1.00 0.00 C ATOM 349 CG LEU A 24 -7.534 2.995 -9.563 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.155 1.698 -9.026 1.00 0.00 C ATOM 351 CD2 LEU A 24 -7.016 2.735 -10.981 1.00 0.00 C ATOM 0 H LEU A 24 -6.526 5.475 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.327 5.734 -8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.588 3.664 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.450 4.712 -10.507 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.720 3.308 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.396 0.917 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.541 1.868 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.970 1.387 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.263 1.947 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.843 2.425 -11.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.572 3.647 -11.379 1.00 0.00 H new ATOM 363 N LYS A 25 -7.640 3.486 -6.695 1.00 0.00 N ATOM 364 CA LYS A 25 -7.758 2.681 -5.450 1.00 0.00 C ATOM 365 C LYS A 25 -8.386 3.581 -4.384 1.00 0.00 C ATOM 366 O LYS A 25 -9.264 3.180 -3.646 1.00 0.00 O ATOM 367 CB LYS A 25 -6.367 2.213 -5.012 1.00 0.00 C ATOM 368 CG LYS A 25 -5.913 1.057 -5.914 1.00 0.00 C ATOM 369 CD LYS A 25 -4.409 0.823 -5.742 1.00 0.00 C ATOM 370 CE LYS A 25 -4.043 -0.566 -6.268 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.561 -0.712 -6.296 1.00 0.00 N ATOM 0 H LYS A 25 -6.730 3.457 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.377 1.797 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.657 3.038 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.390 1.890 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.462 0.150 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.138 1.287 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.848 1.587 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.135 0.909 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.483 -1.335 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.452 -0.707 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.244 -0.846 -7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.120 0.145 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.283 -1.536 -5.726 1.00 0.00 H new ATOM 385 N SER A 26 -7.959 4.814 -4.338 1.00 0.00 N ATOM 386 CA SER A 26 -8.533 5.786 -3.372 1.00 0.00 C ATOM 387 C SER A 26 -9.956 6.130 -3.824 1.00 0.00 C ATOM 388 O SER A 26 -10.559 7.073 -3.352 1.00 0.00 O ATOM 389 CB SER A 26 -7.682 7.064 -3.382 1.00 0.00 C ATOM 390 OG SER A 26 -7.879 7.770 -2.164 1.00 0.00 O ATOM 0 H SER A 26 -7.226 5.191 -4.939 1.00 0.00 H new ATOM 0 HA SER A 26 -8.545 5.361 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.628 6.812 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.959 7.692 -4.229 1.00 0.00 H new ATOM 0 HG SER A 26 -8.839 7.854 -1.986 1.00 0.00 H new ATOM 396 N LYS A 27 -10.482 5.392 -4.770 1.00 0.00 N ATOM 397 CA LYS A 27 -11.844 5.703 -5.288 1.00 0.00 C ATOM 398 C LYS A 27 -12.821 5.916 -4.128 1.00 0.00 C ATOM 399 O LYS A 27 -13.527 6.904 -4.096 1.00 0.00 O ATOM 400 CB LYS A 27 -12.349 4.579 -6.210 1.00 0.00 C ATOM 401 CG LYS A 27 -11.897 3.200 -5.702 1.00 0.00 C ATOM 402 CD LYS A 27 -13.004 2.173 -5.948 1.00 0.00 C ATOM 403 CE LYS A 27 -13.202 2.005 -7.456 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.263 0.989 -7.709 1.00 0.00 N ATOM 0 H LYS A 27 -10.026 4.589 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.784 6.623 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.437 4.611 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.974 4.738 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.984 2.895 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.665 3.251 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.739 1.218 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.932 2.501 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.482 2.958 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.268 1.695 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.397 0.875 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.978 0.079 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.155 1.303 -7.276 1.00 0.00 H new ATOM 418 N GLY A 28 -12.871 5.030 -3.164 1.00 0.00 N ATOM 419 CA GLY A 28 -13.809 5.258 -2.033 1.00 0.00 C ATOM 420 C GLY A 28 -14.375 3.944 -1.518 1.00 0.00 C ATOM 421 O GLY A 28 -15.244 3.940 -0.674 1.00 0.00 O ATOM 0 H GLY A 28 -12.314 4.177 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.291 5.776 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.623 5.906 -2.357 1.00 0.00 H new ATOM 425 N THR A 29 -13.924 2.827 -2.009 1.00 0.00 N ATOM 426 CA THR A 29 -14.494 1.553 -1.500 1.00 0.00 C ATOM 427 C THR A 29 -13.559 0.366 -1.781 1.00 0.00 C ATOM 428 O THR A 29 -12.858 0.326 -2.772 1.00 0.00 O ATOM 429 CB THR A 29 -15.842 1.322 -2.185 1.00 0.00 C ATOM 430 OG1 THR A 29 -16.007 2.275 -3.226 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.986 1.469 -1.175 1.00 0.00 C ATOM 0 H THR A 29 -13.202 2.740 -2.724 1.00 0.00 H new ATOM 0 HA THR A 29 -14.617 1.626 -0.419 1.00 0.00 H new ATOM 0 HB THR A 29 -15.863 0.313 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.869 2.130 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.939 1.302 -1.677 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.863 0.737 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.971 2.473 -0.751 1.00 0.00 H new ATOM 439 N CYS A 30 -13.592 -0.621 -0.923 1.00 0.00 N ATOM 440 CA CYS A 30 -12.762 -1.847 -1.128 1.00 0.00 C ATOM 441 C CYS A 30 -13.233 -2.509 -2.422 1.00 0.00 C ATOM 442 O CYS A 30 -14.415 -2.555 -2.700 1.00 0.00 O ATOM 443 CB CYS A 30 -12.974 -2.813 0.049 1.00 0.00 C ATOM 444 SG CYS A 30 -12.021 -4.335 -0.221 1.00 0.00 S ATOM 0 H CYS A 30 -14.165 -0.630 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.704 -1.592 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.663 -2.339 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.033 -3.050 0.150 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.584 -5.318 0.417 1.00 0.00 H new ATOM 449 N GLN A 31 -12.342 -3.009 -3.232 1.00 0.00 N ATOM 450 CA GLN A 31 -12.801 -3.638 -4.503 1.00 0.00 C ATOM 451 C GLN A 31 -13.333 -5.045 -4.232 1.00 0.00 C ATOM 452 O GLN A 31 -13.948 -5.656 -5.084 1.00 0.00 O ATOM 453 CB GLN A 31 -11.655 -3.699 -5.515 1.00 0.00 C ATOM 454 CG GLN A 31 -10.451 -4.455 -4.934 1.00 0.00 C ATOM 455 CD GLN A 31 -10.698 -5.967 -4.983 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.993 -6.723 -4.345 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.665 -6.445 -5.718 1.00 0.00 N ATOM 0 H GLN A 31 -11.334 -3.011 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.603 -3.029 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.994 -4.193 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.356 -2.688 -5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.551 -4.208 -5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.278 -4.141 -3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.258 -5.812 -6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.827 -7.451 -5.756 1.00 0.00 H new ATOM 466 N SER A 32 -13.112 -5.564 -3.055 1.00 0.00 N ATOM 467 CA SER A 32 -13.616 -6.932 -2.733 1.00 0.00 C ATOM 468 C SER A 32 -14.692 -6.841 -1.648 1.00 0.00 C ATOM 469 O SER A 32 -15.424 -7.781 -1.413 1.00 0.00 O ATOM 470 CB SER A 32 -12.460 -7.798 -2.233 1.00 0.00 C ATOM 471 OG SER A 32 -11.577 -8.072 -3.312 1.00 0.00 O ATOM 0 H SER A 32 -12.604 -5.101 -2.301 1.00 0.00 H new ATOM 0 HA SER A 32 -14.044 -7.380 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.926 -7.285 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.842 -8.729 -1.816 1.00 0.00 H new ATOM 0 HG SER A 32 -10.776 -7.514 -3.229 1.00 0.00 H new ATOM 477 N CYS A 33 -14.790 -5.719 -0.979 1.00 0.00 N ATOM 478 CA CYS A 33 -15.818 -5.576 0.098 1.00 0.00 C ATOM 479 C CYS A 33 -16.669 -4.326 -0.140 1.00 0.00 C ATOM 480 O CYS A 33 -17.770 -4.219 0.362 1.00 0.00 O ATOM 481 CB CYS A 33 -15.124 -5.450 1.455 1.00 0.00 C ATOM 482 SG CYS A 33 -13.996 -6.837 1.690 1.00 0.00 S ATOM 0 H CYS A 33 -14.204 -4.898 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.460 -6.457 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.576 -4.509 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.866 -5.432 2.254 1.00 0.00 H new ATOM 0 HG CYS A 33 -13.964 -7.162 2.948 1.00 0.00 H new ATOM 487 N GLY A 34 -16.176 -3.371 -0.880 1.00 0.00 N ATOM 488 CA GLY A 34 -16.983 -2.137 -1.103 1.00 0.00 C ATOM 489 C GLY A 34 -17.391 -1.573 0.259 1.00 0.00 C ATOM 490 O GLY A 34 -18.548 -1.589 0.631 1.00 0.00 O ATOM 0 H GLY A 34 -15.263 -3.389 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.404 -1.401 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.867 -2.365 -1.699 1.00 0.00 H new ATOM 494 N VAL A 35 -16.436 -1.107 1.018 1.00 0.00 N ATOM 495 CA VAL A 35 -16.735 -0.574 2.383 1.00 0.00 C ATOM 496 C VAL A 35 -16.716 0.961 2.410 1.00 0.00 C ATOM 497 O VAL A 35 -17.624 1.577 2.930 1.00 0.00 O ATOM 498 CB VAL A 35 -15.686 -1.113 3.362 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.654 -2.645 3.276 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.310 -0.545 2.998 1.00 0.00 C ATOM 0 H VAL A 35 -15.452 -1.072 0.750 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.735 -0.899 2.669 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.941 -0.812 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.909 -3.033 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.635 -3.045 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.396 -2.947 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.563 -0.927 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.049 -0.846 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.338 0.543 3.058 1.00 0.00 H new ATOM 510 N THR A 36 -15.694 1.591 1.881 1.00 0.00 N ATOM 511 CA THR A 36 -15.641 3.084 1.921 1.00 0.00 C ATOM 512 C THR A 36 -14.229 3.541 1.546 1.00 0.00 C ATOM 513 O THR A 36 -13.384 2.741 1.212 1.00 0.00 O ATOM 514 CB THR A 36 -15.981 3.590 3.339 1.00 0.00 C ATOM 515 OG1 THR A 36 -16.016 2.496 4.244 1.00 0.00 O ATOM 516 CG2 THR A 36 -17.341 4.299 3.340 1.00 0.00 C ATOM 0 H THR A 36 -14.901 1.139 1.427 1.00 0.00 H new ATOM 0 HA THR A 36 -16.367 3.490 1.216 1.00 0.00 H new ATOM 0 HB THR A 36 -15.212 4.297 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.937 2.172 4.330 1.00 0.00 H new ATOM 0 HG21 THR A 36 -17.567 4.650 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.309 5.148 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 36 -18.115 3.603 3.016 1.00 0.00 H new ATOM 524 N GLY A 37 -13.975 4.824 1.591 1.00 0.00 N ATOM 525 CA GLY A 37 -12.623 5.340 1.227 1.00 0.00 C ATOM 526 C GLY A 37 -11.754 5.477 2.473 1.00 0.00 C ATOM 527 O GLY A 37 -10.687 4.904 2.561 1.00 0.00 O ATOM 0 H GLY A 37 -14.649 5.538 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.148 4.664 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.717 6.307 0.733 1.00 0.00 H new ATOM 531 N PRO A 38 -12.195 6.242 3.428 1.00 0.00 N ATOM 532 CA PRO A 38 -11.427 6.451 4.675 1.00 0.00 C ATOM 533 C PRO A 38 -11.025 5.126 5.322 1.00 0.00 C ATOM 534 O PRO A 38 -11.823 4.225 5.485 1.00 0.00 O ATOM 535 CB PRO A 38 -12.368 7.226 5.593 1.00 0.00 C ATOM 536 CG PRO A 38 -13.415 7.827 4.702 1.00 0.00 C ATOM 537 CD PRO A 38 -13.461 6.988 3.420 1.00 0.00 C ATOM 0 HA PRO A 38 -10.496 6.985 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.819 6.567 6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.830 8.000 6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.386 7.826 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.175 8.865 4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.319 6.316 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.545 7.619 2.535 1.00 0.00 H new ATOM 545 N ASN A 39 -9.790 5.018 5.690 1.00 0.00 N ATOM 546 CA ASN A 39 -9.287 3.774 6.335 1.00 0.00 C ATOM 547 C ASN A 39 -9.142 2.657 5.300 1.00 0.00 C ATOM 548 O ASN A 39 -9.101 1.492 5.641 1.00 0.00 O ATOM 549 CB ASN A 39 -10.257 3.324 7.437 1.00 0.00 C ATOM 550 CG ASN A 39 -9.471 2.900 8.681 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.606 2.051 8.607 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.739 3.460 9.829 1.00 0.00 N ATOM 0 H ASN A 39 -9.089 5.750 5.572 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.311 3.983 6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.940 4.136 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.866 2.494 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.222 3.185 10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.466 4.173 9.891 1.00 0.00 H new ATOM 559 N LEU A 40 -9.046 2.988 4.044 1.00 0.00 N ATOM 560 CA LEU A 40 -8.886 1.914 3.024 1.00 0.00 C ATOM 561 C LEU A 40 -7.431 1.445 3.042 1.00 0.00 C ATOM 562 O LEU A 40 -6.592 2.011 3.712 1.00 0.00 O ATOM 563 CB LEU A 40 -9.219 2.436 1.613 1.00 0.00 C ATOM 564 CG LEU A 40 -10.716 2.295 1.281 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.906 2.571 -0.214 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.216 0.873 1.585 1.00 0.00 C ATOM 0 H LEU A 40 -9.071 3.941 3.682 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.567 1.097 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.928 3.484 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.632 1.888 0.876 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.281 3.001 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.961 2.476 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.566 3.581 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.326 1.853 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.276 0.800 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.656 0.155 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.071 0.655 2.643 1.00 0.00 H new ATOM 578 N TRP A 41 -7.127 0.424 2.300 1.00 0.00 N ATOM 579 CA TRP A 41 -5.725 -0.078 2.254 1.00 0.00 C ATOM 580 C TRP A 41 -5.558 -0.940 1.005 1.00 0.00 C ATOM 581 O TRP A 41 -5.933 -2.097 0.978 1.00 0.00 O ATOM 582 CB TRP A 41 -5.421 -0.900 3.517 1.00 0.00 C ATOM 583 CG TRP A 41 -4.262 -0.298 4.255 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.108 0.121 3.684 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.124 -0.041 5.684 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.275 0.620 4.667 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.855 0.541 5.917 1.00 0.00 C ATOM 588 CE3 TRP A 41 -4.966 -0.255 6.789 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.440 0.900 7.200 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.551 0.105 8.082 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.291 0.681 8.286 1.00 0.00 C ATOM 0 H TRP A 41 -7.790 -0.090 1.719 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.029 0.760 2.216 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.299 -0.928 4.163 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.193 -1.930 3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.876 0.073 2.630 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.345 1.000 4.490 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.939 -0.700 6.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.467 1.344 7.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.207 -0.063 8.923 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.977 0.956 9.282 1.00 0.00 H new ATOM 602 N ALA A 42 -5.020 -0.377 -0.039 1.00 0.00 N ATOM 603 CA ALA A 42 -4.851 -1.148 -1.297 1.00 0.00 C ATOM 604 C ALA A 42 -3.452 -1.748 -1.381 1.00 0.00 C ATOM 605 O ALA A 42 -2.475 -1.143 -0.992 1.00 0.00 O ATOM 606 CB ALA A 42 -5.059 -0.215 -2.486 1.00 0.00 C ATOM 0 H ALA A 42 -4.689 0.587 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.583 -1.956 -1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.936 -0.775 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.064 0.206 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.326 0.591 -2.449 1.00 0.00 H new ATOM 612 N CYS A 43 -3.355 -2.931 -1.918 1.00 0.00 N ATOM 613 CA CYS A 43 -2.027 -3.576 -2.068 1.00 0.00 C ATOM 614 C CYS A 43 -1.164 -2.687 -2.960 1.00 0.00 C ATOM 615 O CYS A 43 -1.674 -1.966 -3.795 1.00 0.00 O ATOM 616 CB CYS A 43 -2.208 -4.946 -2.722 1.00 0.00 C ATOM 617 SG CYS A 43 -0.790 -5.996 -2.331 1.00 0.00 S ATOM 0 H CYS A 43 -4.144 -3.480 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.549 -3.705 -1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.127 -5.411 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.304 -4.835 -3.802 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.198 -7.209 -2.105 1.00 0.00 H new ATOM 622 N LEU A 44 0.131 -2.710 -2.792 1.00 0.00 N ATOM 623 CA LEU A 44 0.996 -1.838 -3.639 1.00 0.00 C ATOM 624 C LEU A 44 2.164 -2.648 -4.214 1.00 0.00 C ATOM 625 O LEU A 44 3.247 -2.138 -4.394 1.00 0.00 O ATOM 626 CB LEU A 44 1.523 -0.680 -2.778 1.00 0.00 C ATOM 627 CG LEU A 44 2.462 0.243 -3.581 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.941 0.443 -5.008 1.00 0.00 C ATOM 629 CD2 LEU A 44 2.538 1.606 -2.890 1.00 0.00 C ATOM 0 H LEU A 44 0.624 -3.289 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 44 0.415 -1.441 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.684 -0.100 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.056 -1.080 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 44 3.448 -0.220 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.620 1.097 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.882 -0.522 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.950 0.896 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.201 2.263 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.542 2.047 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.925 1.480 -1.879 1.00 0.00 H new ATOM 641 N GLN A 45 1.964 -3.907 -4.517 1.00 0.00 N ATOM 642 CA GLN A 45 3.088 -4.707 -5.086 1.00 0.00 C ATOM 643 C GLN A 45 3.156 -4.471 -6.602 1.00 0.00 C ATOM 644 O GLN A 45 2.146 -4.346 -7.266 1.00 0.00 O ATOM 645 CB GLN A 45 2.890 -6.204 -4.794 1.00 0.00 C ATOM 646 CG GLN A 45 2.160 -6.398 -3.455 1.00 0.00 C ATOM 647 CD GLN A 45 3.168 -6.806 -2.376 1.00 0.00 C ATOM 648 OE1 GLN A 45 3.951 -7.714 -2.571 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.184 -6.164 -1.239 1.00 0.00 N ATOM 0 H GLN A 45 1.084 -4.408 -4.397 1.00 0.00 H new ATOM 0 HA GLN A 45 4.022 -4.391 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.316 -6.665 -5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.857 -6.706 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.656 -5.475 -3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.390 -7.163 -3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.527 -5.401 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.854 -6.425 -0.515 1.00 0.00 H new ATOM 658 N VAL A 46 4.342 -4.384 -7.141 1.00 0.00 N ATOM 659 CA VAL A 46 4.495 -4.131 -8.610 1.00 0.00 C ATOM 660 C VAL A 46 3.554 -5.022 -9.430 1.00 0.00 C ATOM 661 O VAL A 46 3.430 -4.851 -10.626 1.00 0.00 O ATOM 662 CB VAL A 46 5.943 -4.410 -9.035 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.393 -5.770 -8.493 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.038 -4.419 -10.565 1.00 0.00 C ATOM 0 H VAL A 46 5.218 -4.477 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 46 4.240 -3.088 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 46 6.588 -3.629 -8.632 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.422 -5.961 -8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.333 -5.766 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.745 -6.552 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.067 -4.617 -10.864 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.387 -5.196 -10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.727 -3.450 -10.955 1.00 0.00 H new ATOM 674 N ALA A 47 2.900 -5.976 -8.822 1.00 0.00 N ATOM 675 CA ALA A 47 1.994 -6.860 -9.617 1.00 0.00 C ATOM 676 C ALA A 47 0.738 -7.208 -8.815 1.00 0.00 C ATOM 677 O ALA A 47 0.303 -8.343 -8.801 1.00 0.00 O ATOM 678 CB ALA A 47 2.736 -8.149 -9.976 1.00 0.00 C ATOM 0 H ALA A 47 2.951 -6.181 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 47 1.696 -6.332 -10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.079 -8.797 -10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.621 -7.908 -10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.038 -8.662 -9.063 1.00 0.00 H new ATOM 684 N CYS A 48 0.145 -6.252 -8.153 1.00 0.00 N ATOM 685 CA CYS A 48 -1.085 -6.559 -7.368 1.00 0.00 C ATOM 686 C CYS A 48 -2.017 -5.344 -7.337 1.00 0.00 C ATOM 687 O CYS A 48 -2.039 -4.598 -6.378 1.00 0.00 O ATOM 688 CB CYS A 48 -0.693 -6.932 -5.942 1.00 0.00 C ATOM 689 SG CYS A 48 -2.017 -7.919 -5.207 1.00 0.00 S ATOM 0 H CYS A 48 0.455 -5.281 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.607 -7.391 -7.841 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.240 -7.495 -5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.522 -6.032 -5.351 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.041 -7.725 -3.922 1.00 0.00 H new ATOM 694 N PRO A 49 -2.791 -5.152 -8.371 1.00 0.00 N ATOM 695 CA PRO A 49 -3.748 -4.020 -8.453 1.00 0.00 C ATOM 696 C PRO A 49 -5.113 -4.373 -7.847 1.00 0.00 C ATOM 697 O PRO A 49 -5.927 -5.021 -8.471 1.00 0.00 O ATOM 698 CB PRO A 49 -3.869 -3.799 -9.959 1.00 0.00 C ATOM 699 CG PRO A 49 -3.682 -5.157 -10.568 1.00 0.00 C ATOM 700 CD PRO A 49 -2.838 -5.983 -9.582 1.00 0.00 C ATOM 0 HA PRO A 49 -3.413 -3.143 -7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.841 -3.380 -10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.114 -3.099 -10.317 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.645 -5.636 -10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.182 -5.081 -11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.293 -6.953 -9.383 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.839 -6.174 -9.974 1.00 0.00 H new ATOM 708 N TYR A 50 -5.365 -3.935 -6.642 1.00 0.00 N ATOM 709 CA TYR A 50 -6.670 -4.225 -5.978 1.00 0.00 C ATOM 710 C TYR A 50 -6.741 -3.399 -4.694 1.00 0.00 C ATOM 711 O TYR A 50 -5.792 -3.349 -3.936 1.00 0.00 O ATOM 712 CB TYR A 50 -6.757 -5.714 -5.623 1.00 0.00 C ATOM 713 CG TYR A 50 -7.040 -6.527 -6.866 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.252 -6.369 -7.547 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.087 -7.440 -7.337 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.513 -7.123 -8.699 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.348 -8.194 -8.489 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.561 -8.035 -9.169 1.00 0.00 C ATOM 719 OH TYR A 50 -7.819 -8.777 -10.304 1.00 0.00 O ATOM 0 H TYR A 50 -4.715 -3.382 -6.083 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.493 -3.973 -6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.823 -6.043 -5.168 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.544 -5.875 -4.886 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.987 -5.665 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.151 -7.563 -6.812 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.449 -7.000 -9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.613 -8.898 -8.852 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.055 -9.361 -10.494 1.00 0.00 H new ATOM 729 N VAL A 51 -7.843 -2.743 -4.434 1.00 0.00 N ATOM 730 CA VAL A 51 -7.930 -1.922 -3.190 1.00 0.00 C ATOM 731 C VAL A 51 -8.728 -2.671 -2.125 1.00 0.00 C ATOM 732 O VAL A 51 -9.930 -2.815 -2.208 1.00 0.00 O ATOM 733 CB VAL A 51 -8.576 -0.569 -3.501 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.753 -0.761 -4.455 1.00 0.00 C ATOM 735 CG2 VAL A 51 -9.057 0.093 -2.204 1.00 0.00 C ATOM 0 H VAL A 51 -8.677 -2.740 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.926 -1.744 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.836 0.076 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.207 0.206 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.400 -1.212 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.493 -1.414 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.515 1.055 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.790 -0.551 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.208 0.246 -1.537 1.00 0.00 H new ATOM 745 N GLY A 52 -8.047 -3.153 -1.122 1.00 0.00 N ATOM 746 CA GLY A 52 -8.730 -3.910 -0.038 1.00 0.00 C ATOM 747 C GLY A 52 -9.181 -2.958 1.071 1.00 0.00 C ATOM 748 O GLY A 52 -9.083 -1.753 0.954 1.00 0.00 O ATOM 0 H GLY A 52 -7.038 -3.053 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.591 -4.441 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.055 -4.662 0.371 1.00 0.00 H new ATOM 752 N CYS A 53 -9.681 -3.500 2.149 1.00 0.00 N ATOM 753 CA CYS A 53 -10.151 -2.653 3.279 1.00 0.00 C ATOM 754 C CYS A 53 -9.090 -2.582 4.353 1.00 0.00 C ATOM 755 O CYS A 53 -8.125 -3.320 4.374 1.00 0.00 O ATOM 756 CB CYS A 53 -11.361 -3.300 3.968 1.00 0.00 C ATOM 757 SG CYS A 53 -11.402 -5.072 3.602 1.00 0.00 S ATOM 0 H CYS A 53 -9.784 -4.504 2.295 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.389 -1.674 2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.304 -3.143 5.045 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.282 -2.827 3.625 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.465 -5.347 2.906 1.00 0.00 H new ATOM 762 N GLY A 54 -9.349 -1.745 5.295 1.00 0.00 N ATOM 763 CA GLY A 54 -8.481 -1.625 6.479 1.00 0.00 C ATOM 764 C GLY A 54 -9.359 -2.102 7.619 1.00 0.00 C ATOM 765 O GLY A 54 -10.565 -2.087 7.487 1.00 0.00 O ATOM 0 H GLY A 54 -10.153 -1.117 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.584 -2.237 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.151 -0.597 6.631 1.00 0.00 H new ATOM 769 N GLU A 55 -8.813 -2.557 8.706 1.00 0.00 N ATOM 770 CA GLU A 55 -9.693 -3.052 9.813 1.00 0.00 C ATOM 771 C GLU A 55 -11.073 -2.429 9.704 1.00 0.00 C ATOM 772 O GLU A 55 -12.074 -3.073 9.945 1.00 0.00 O ATOM 773 CB GLU A 55 -9.091 -2.673 11.154 1.00 0.00 C ATOM 774 CG GLU A 55 -9.206 -1.160 11.369 1.00 0.00 C ATOM 775 CD GLU A 55 -8.275 -0.733 12.505 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.104 -1.074 12.446 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.747 -0.072 13.416 1.00 0.00 O ATOM 0 H GLU A 55 -7.810 -2.611 8.883 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.775 -4.136 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.605 -3.203 11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.045 -2.976 11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.945 -0.631 10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.235 -0.893 11.609 1.00 0.00 H new ATOM 784 N SER A 56 -11.128 -1.191 9.312 1.00 0.00 N ATOM 785 CA SER A 56 -12.442 -0.515 9.137 1.00 0.00 C ATOM 786 C SER A 56 -13.483 -1.575 8.776 1.00 0.00 C ATOM 787 O SER A 56 -14.576 -1.598 9.306 1.00 0.00 O ATOM 788 CB SER A 56 -12.328 0.500 8.001 1.00 0.00 C ATOM 789 OG SER A 56 -12.357 1.812 8.545 1.00 0.00 O ATOM 0 H SER A 56 -10.314 -0.613 9.103 1.00 0.00 H new ATOM 0 HA SER A 56 -12.736 -0.002 10.053 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.402 0.343 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.148 0.368 7.295 1.00 0.00 H new ATOM 0 HG SER A 56 -12.825 2.412 7.927 1.00 0.00 H new ATOM 795 N PHE A 57 -13.128 -2.470 7.888 1.00 0.00 N ATOM 796 CA PHE A 57 -14.073 -3.558 7.499 1.00 0.00 C ATOM 797 C PHE A 57 -13.484 -4.905 7.906 1.00 0.00 C ATOM 798 O PHE A 57 -13.645 -5.358 9.022 1.00 0.00 O ATOM 799 CB PHE A 57 -14.290 -3.558 5.989 1.00 0.00 C ATOM 800 CG PHE A 57 -15.247 -4.671 5.627 1.00 0.00 C ATOM 801 CD1 PHE A 57 -16.575 -4.618 6.068 1.00 0.00 C ATOM 802 CD2 PHE A 57 -14.809 -5.754 4.855 1.00 0.00 C ATOM 803 CE1 PHE A 57 -17.464 -5.648 5.736 1.00 0.00 C ATOM 804 CE2 PHE A 57 -15.698 -6.783 4.523 1.00 0.00 C ATOM 805 CZ PHE A 57 -17.026 -6.730 4.964 1.00 0.00 C ATOM 0 H PHE A 57 -12.224 -2.493 7.416 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.026 -3.391 8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.691 -2.597 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.340 -3.696 5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.914 -3.783 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.785 -5.795 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.488 -5.607 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.360 -7.618 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.712 -7.524 4.708 1.00 0.00 H new ATOM 815 N ALA A 58 -12.799 -5.538 6.999 1.00 0.00 N ATOM 816 CA ALA A 58 -12.175 -6.863 7.298 1.00 0.00 C ATOM 817 C ALA A 58 -10.667 -6.760 7.068 1.00 0.00 C ATOM 818 O ALA A 58 -9.976 -7.749 6.935 1.00 0.00 O ATOM 819 CB ALA A 58 -12.762 -7.926 6.366 1.00 0.00 C ATOM 0 H ALA A 58 -12.641 -5.194 6.052 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.375 -7.143 8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.307 -8.892 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.839 -7.989 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.558 -7.654 5.330 1.00 0.00 H new ATOM 825 N ASP A 59 -10.162 -5.557 7.019 1.00 0.00 N ATOM 826 CA ASP A 59 -8.704 -5.346 6.796 1.00 0.00 C ATOM 827 C ASP A 59 -8.161 -6.339 5.773 1.00 0.00 C ATOM 828 O ASP A 59 -7.283 -7.117 6.082 1.00 0.00 O ATOM 829 CB ASP A 59 -7.925 -5.537 8.103 1.00 0.00 C ATOM 830 CG ASP A 59 -8.271 -6.893 8.724 1.00 0.00 C ATOM 831 OD1 ASP A 59 -8.850 -6.897 9.799 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.956 -7.903 8.118 1.00 0.00 O ATOM 0 H ASP A 59 -10.706 -4.701 7.126 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.577 -4.328 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.854 -5.479 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.167 -4.735 8.801 1.00 0.00 H new ATOM 837 N HIS A 60 -8.630 -6.318 4.551 1.00 0.00 N ATOM 838 CA HIS A 60 -8.054 -7.271 3.561 1.00 0.00 C ATOM 839 C HIS A 60 -6.540 -7.158 3.693 1.00 0.00 C ATOM 840 O HIS A 60 -5.815 -8.112 3.575 1.00 0.00 O ATOM 841 CB HIS A 60 -8.474 -6.893 2.133 1.00 0.00 C ATOM 842 CG HIS A 60 -9.494 -7.870 1.611 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.444 -9.232 1.447 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.758 -7.476 1.168 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.645 -9.681 0.917 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.399 -8.592 0.768 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.365 -5.701 4.205 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.406 -8.285 3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.888 -5.885 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.601 -6.885 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.148 -6.469 1.149 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.913 -10.699 0.676 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.348 -8.602 0.395 1.00 0.00 H new ATOM 854 N SER A 61 -6.072 -5.978 3.974 1.00 0.00 N ATOM 855 CA SER A 61 -4.611 -5.771 4.151 1.00 0.00 C ATOM 856 C SER A 61 -4.047 -6.878 5.043 1.00 0.00 C ATOM 857 O SER A 61 -2.872 -7.179 5.003 1.00 0.00 O ATOM 858 CB SER A 61 -4.387 -4.410 4.816 1.00 0.00 C ATOM 859 OG SER A 61 -3.281 -3.763 4.201 1.00 0.00 O ATOM 0 H SER A 61 -6.643 -5.141 4.090 1.00 0.00 H new ATOM 0 HA SER A 61 -4.108 -5.799 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.282 -3.795 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.200 -4.540 5.882 1.00 0.00 H new ATOM 0 HG SER A 61 -3.418 -2.793 4.219 1.00 0.00 H new ATOM 865 N THR A 62 -4.874 -7.484 5.852 1.00 0.00 N ATOM 866 CA THR A 62 -4.379 -8.562 6.744 1.00 0.00 C ATOM 867 C THR A 62 -4.477 -9.912 6.040 1.00 0.00 C ATOM 868 O THR A 62 -3.486 -10.548 5.745 1.00 0.00 O ATOM 869 CB THR A 62 -5.244 -8.632 7.990 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.716 -7.336 8.319 1.00 0.00 O ATOM 871 CG2 THR A 62 -4.431 -9.196 9.158 1.00 0.00 C ATOM 0 H THR A 62 -5.870 -7.277 5.931 1.00 0.00 H new ATOM 0 HA THR A 62 -3.343 -8.343 7.003 1.00 0.00 H new ATOM 0 HB THR A 62 -6.094 -9.287 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.690 -7.216 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.058 -9.243 10.048 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.080 -10.197 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.575 -8.550 9.351 1.00 0.00 H new ATOM 879 N ILE A 63 -5.684 -10.361 5.788 1.00 0.00 N ATOM 880 CA ILE A 63 -5.861 -11.679 5.129 1.00 0.00 C ATOM 881 C ILE A 63 -5.224 -11.629 3.745 1.00 0.00 C ATOM 882 O ILE A 63 -4.678 -12.596 3.258 1.00 0.00 O ATOM 883 CB ILE A 63 -7.341 -12.022 4.997 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.085 -10.819 4.436 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.909 -12.388 6.370 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.422 -11.267 3.844 1.00 0.00 C ATOM 0 H ILE A 63 -6.548 -9.868 6.012 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.383 -12.447 5.737 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.462 -12.871 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.253 -10.084 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.482 -10.332 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.967 -12.633 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.372 -13.249 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.793 -11.543 7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.951 -10.402 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.243 -11.985 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.026 -11.734 4.622 1.00 0.00 H new ATOM 898 N HIS A 64 -5.290 -10.493 3.119 1.00 0.00 N ATOM 899 CA HIS A 64 -4.683 -10.340 1.770 1.00 0.00 C ATOM 900 C HIS A 64 -3.165 -10.384 1.914 1.00 0.00 C ATOM 901 O HIS A 64 -2.481 -11.060 1.172 1.00 0.00 O ATOM 902 CB HIS A 64 -5.097 -8.999 1.158 1.00 0.00 C ATOM 903 CG HIS A 64 -4.462 -8.863 -0.192 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.164 -9.074 -1.369 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.180 -8.556 -0.566 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.304 -8.893 -2.388 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.083 -8.578 -1.950 1.00 0.00 N ATOM 0 H HIS A 64 -5.742 -9.655 3.486 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.025 -11.145 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.182 -8.944 1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.787 -8.178 1.805 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.151 -9.321 -1.448 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.370 -8.331 0.112 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.569 -8.990 -3.431 1.00 0.00 H new ATOM 915 N ALA A 65 -2.629 -9.690 2.885 1.00 0.00 N ATOM 916 CA ALA A 65 -1.153 -9.729 3.088 1.00 0.00 C ATOM 917 C ALA A 65 -0.824 -11.091 3.677 1.00 0.00 C ATOM 918 O ALA A 65 0.286 -11.572 3.622 1.00 0.00 O ATOM 919 CB ALA A 65 -0.733 -8.633 4.069 1.00 0.00 C ATOM 0 H ALA A 65 -3.146 -9.103 3.540 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.627 -9.567 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.347 -8.668 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.015 -7.659 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.231 -8.790 5.026 1.00 0.00 H new ATOM 925 N GLN A 66 -1.813 -11.692 4.258 1.00 0.00 N ATOM 926 CA GLN A 66 -1.663 -13.021 4.899 1.00 0.00 C ATOM 927 C GLN A 66 -1.768 -14.141 3.853 1.00 0.00 C ATOM 928 O GLN A 66 -1.131 -15.171 3.966 1.00 0.00 O ATOM 929 CB GLN A 66 -2.831 -13.128 5.869 1.00 0.00 C ATOM 930 CG GLN A 66 -3.029 -14.554 6.392 1.00 0.00 C ATOM 931 CD GLN A 66 -2.346 -14.708 7.754 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.130 -14.263 7.914 1.00 0.00 O flip ATOM 933 NE2 GLN A 66 -2.926 -15.238 8.682 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.754 -11.304 4.318 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.695 -13.121 5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.663 -12.456 6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.743 -12.796 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.093 -14.773 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.614 -15.271 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.877 -15.586 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.462 -15.335 9.585 1.00 0.00 H new ATOM 942 N ALA A 67 -2.590 -13.960 2.857 1.00 0.00 N ATOM 943 CA ALA A 67 -2.771 -15.020 1.827 1.00 0.00 C ATOM 944 C ALA A 67 -1.753 -14.842 0.705 1.00 0.00 C ATOM 945 O ALA A 67 -1.149 -15.788 0.240 1.00 0.00 O ATOM 946 CB ALA A 67 -4.189 -14.925 1.252 1.00 0.00 C ATOM 0 H ALA A 67 -3.147 -13.118 2.712 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.622 -15.997 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.328 -15.699 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.916 -15.064 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.332 -13.945 0.798 1.00 0.00 H new ATOM 952 N LYS A 68 -1.572 -13.634 0.260 1.00 0.00 N ATOM 953 CA LYS A 68 -0.608 -13.380 -0.845 1.00 0.00 C ATOM 954 C LYS A 68 0.733 -12.960 -0.254 1.00 0.00 C ATOM 955 O LYS A 68 1.660 -12.610 -0.958 1.00 0.00 O ATOM 956 CB LYS A 68 -1.159 -12.272 -1.740 1.00 0.00 C ATOM 957 CG LYS A 68 -2.567 -12.660 -2.219 1.00 0.00 C ATOM 958 CD LYS A 68 -3.623 -12.062 -1.287 1.00 0.00 C ATOM 959 CE LYS A 68 -5.013 -12.273 -1.890 1.00 0.00 C ATOM 960 NZ LYS A 68 -5.063 -13.596 -2.574 1.00 0.00 N ATOM 0 H LYS A 68 -2.052 -12.807 0.615 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.468 -14.284 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.195 -11.330 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.501 -12.118 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.725 -12.303 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.665 -13.745 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.565 -12.532 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.435 -10.998 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.771 -12.227 -1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.238 -11.476 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.054 -13.885 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.604 -13.523 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.566 -14.304 -1.997 1.00 0.00 H new ATOM 974 N LYS A 69 0.838 -13.008 1.039 1.00 0.00 N ATOM 975 CA LYS A 69 2.107 -12.630 1.709 1.00 0.00 C ATOM 976 C LYS A 69 2.555 -11.238 1.247 1.00 0.00 C ATOM 977 O LYS A 69 3.682 -10.841 1.466 1.00 0.00 O ATOM 978 CB LYS A 69 3.189 -13.665 1.368 1.00 0.00 C ATOM 979 CG LYS A 69 3.239 -14.750 2.453 1.00 0.00 C ATOM 980 CD LYS A 69 1.824 -15.270 2.750 1.00 0.00 C ATOM 981 CE LYS A 69 1.891 -16.745 3.154 1.00 0.00 C ATOM 982 NZ LYS A 69 3.029 -16.952 4.092 1.00 0.00 N ATOM 0 H LYS A 69 0.089 -13.297 1.669 1.00 0.00 H new ATOM 0 HA LYS A 69 1.950 -12.607 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.978 -14.118 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.159 -13.175 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.875 -15.572 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.684 -14.345 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.371 -14.684 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.191 -15.152 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.956 -17.046 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.016 -17.370 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.829 -17.768 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.898 -17.131 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.155 -16.102 4.677 1.00 0.00 H new ATOM 996 N HIS A 70 1.679 -10.476 0.647 1.00 0.00 N ATOM 997 CA HIS A 70 2.075 -9.100 0.224 1.00 0.00 C ATOM 998 C HIS A 70 2.155 -8.257 1.496 1.00 0.00 C ATOM 999 O HIS A 70 1.178 -8.101 2.201 1.00 0.00 O ATOM 1000 CB HIS A 70 1.021 -8.531 -0.731 1.00 0.00 C ATOM 1001 CG HIS A 70 1.100 -9.263 -2.045 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.010 -9.449 -2.859 1.00 0.00 N ATOM 1003 CD2 HIS A 70 2.147 -9.872 -2.697 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.393 -10.144 -3.940 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.694 -10.424 -3.888 1.00 0.00 N ATOM 0 H HIS A 70 0.718 -10.742 0.433 1.00 0.00 H new ATOM 0 HA HIS A 70 3.031 -9.102 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.026 -8.639 -0.300 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.189 -7.465 -0.884 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.957 -9.120 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.165 -9.914 -2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.259 -10.438 -4.749 1.00 0.00 H new ATOM 1013 N ASN A 71 3.309 -7.743 1.828 1.00 0.00 N ATOM 1014 CA ASN A 71 3.426 -6.960 3.091 1.00 0.00 C ATOM 1015 C ASN A 71 3.133 -5.480 2.847 1.00 0.00 C ATOM 1016 O ASN A 71 2.525 -4.821 3.665 1.00 0.00 O ATOM 1017 CB ASN A 71 4.843 -7.117 3.644 1.00 0.00 C ATOM 1018 CG ASN A 71 5.837 -7.265 2.489 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.880 -6.352 1.558 1.00 0.00 O flip ATOM 1020 ND2 ASN A 71 6.584 -8.222 2.434 1.00 0.00 N flip ATOM 0 H ASN A 71 4.168 -7.830 1.285 1.00 0.00 H new ATOM 0 HA ASN A 71 2.697 -7.338 3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.104 -6.251 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.895 -7.990 4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.552 -8.937 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.243 -8.311 1.661 1.00 0.00 H new ATOM 1027 N LEU A 72 3.591 -4.943 1.757 1.00 0.00 N ATOM 1028 CA LEU A 72 3.376 -3.494 1.503 1.00 0.00 C ATOM 1029 C LEU A 72 1.984 -3.200 0.949 1.00 0.00 C ATOM 1030 O LEU A 72 1.515 -3.812 0.009 1.00 0.00 O ATOM 1031 CB LEU A 72 4.423 -3.001 0.511 1.00 0.00 C ATOM 1032 CG LEU A 72 5.800 -3.056 1.172 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.876 -3.185 0.100 1.00 0.00 C ATOM 1034 CD2 LEU A 72 6.043 -1.778 1.985 1.00 0.00 C ATOM 0 H LEU A 72 4.104 -5.442 1.031 1.00 0.00 H new ATOM 0 HA LEU A 72 3.467 -2.975 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.411 -3.619 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.196 -1.982 0.199 1.00 0.00 H new ATOM 0 HG LEU A 72 5.840 -3.918 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.857 -3.224 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.712 -4.098 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.829 -2.325 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.026 -1.826 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.997 -0.912 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.279 -1.687 2.757 1.00 0.00 H new ATOM 1046 N THR A 73 1.352 -2.221 1.524 1.00 0.00 N ATOM 1047 CA THR A 73 0.006 -1.781 1.074 1.00 0.00 C ATOM 1048 C THR A 73 -0.086 -0.291 1.393 1.00 0.00 C ATOM 1049 O THR A 73 0.633 0.195 2.240 1.00 0.00 O ATOM 1050 CB THR A 73 -1.087 -2.559 1.822 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.345 -1.947 1.580 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.801 -2.560 3.330 1.00 0.00 C ATOM 0 H THR A 73 1.724 -1.691 2.312 1.00 0.00 H new ATOM 0 HA THR A 73 -0.137 -1.966 0.009 1.00 0.00 H new ATOM 0 HB THR A 73 -1.100 -3.589 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.720 -1.624 2.426 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.583 -3.115 3.848 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.163 -3.032 3.517 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.780 -1.534 3.697 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.921 0.457 0.723 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.971 1.926 1.013 1.00 0.00 C ATOM 1062 C VAL A 74 -2.366 2.351 1.462 1.00 0.00 C ATOM 1063 O VAL A 74 -3.359 2.101 0.806 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.564 2.705 -0.243 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.260 2.109 -1.470 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.972 4.176 -0.100 1.00 0.00 C ATOM 0 H VAL A 74 -1.561 0.127 0.000 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.276 2.145 1.824 1.00 0.00 H new ATOM 0 HB VAL A 74 0.517 2.637 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.968 2.666 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.968 1.065 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.341 2.171 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.680 4.723 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.052 4.243 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.475 4.609 0.768 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.427 3.008 2.592 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.729 3.482 3.128 1.00 0.00 C ATOM 1078 C ASN A 75 -4.125 4.766 2.410 1.00 0.00 C ATOM 1079 O ASN A 75 -3.620 5.833 2.697 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.591 3.760 4.626 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.980 3.858 5.259 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.960 4.059 4.569 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -5.107 3.723 6.550 1.00 0.00 N ATOM 0 H ASN A 75 -1.618 3.237 3.170 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.492 2.720 2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.018 2.964 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.041 4.688 4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.029 3.786 6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.284 3.554 7.129 1.00 0.00 H new ATOM 1090 N LEU A 76 -5.029 4.676 1.481 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.463 5.893 0.747 1.00 0.00 C ATOM 1092 C LEU A 76 -6.232 6.794 1.710 1.00 0.00 C ATOM 1093 O LEU A 76 -6.913 7.720 1.314 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.344 5.474 -0.429 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.666 4.302 -1.172 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.643 3.134 -1.307 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.209 4.743 -2.566 1.00 0.00 C ATOM 0 H LEU A 76 -5.488 3.810 1.197 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.604 6.441 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.330 5.174 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.492 6.315 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.796 3.987 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.157 2.312 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.950 2.800 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.519 3.456 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.733 3.905 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.072 5.076 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.496 5.562 -2.473 1.00 0.00 H new ATOM 1109 N THR A 77 -6.107 6.526 2.980 1.00 0.00 N ATOM 1110 CA THR A 77 -6.797 7.350 4.005 1.00 0.00 C ATOM 1111 C THR A 77 -5.826 8.412 4.513 1.00 0.00 C ATOM 1112 O THR A 77 -6.195 9.541 4.766 1.00 0.00 O ATOM 1113 CB THR A 77 -7.214 6.451 5.168 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.996 5.381 4.665 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.020 7.266 6.184 1.00 0.00 C ATOM 0 H THR A 77 -5.547 5.759 3.354 1.00 0.00 H new ATOM 0 HA THR A 77 -7.678 7.826 3.575 1.00 0.00 H new ATOM 0 HB THR A 77 -6.331 6.050 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.423 4.600 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.317 6.623 7.013 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.408 8.085 6.561 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.910 7.670 5.702 1.00 0.00 H new ATOM 1123 N THR A 78 -4.583 8.042 4.673 1.00 0.00 N ATOM 1124 CA THR A 78 -3.564 9.014 5.177 1.00 0.00 C ATOM 1125 C THR A 78 -2.425 9.182 4.164 1.00 0.00 C ATOM 1126 O THR A 78 -1.653 10.116 4.246 1.00 0.00 O ATOM 1127 CB THR A 78 -2.986 8.500 6.498 1.00 0.00 C ATOM 1128 OG1 THR A 78 -4.033 7.953 7.289 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.321 9.653 7.252 1.00 0.00 C ATOM 0 H THR A 78 -4.227 7.107 4.476 1.00 0.00 H new ATOM 0 HA THR A 78 -4.048 9.979 5.325 1.00 0.00 H new ATOM 0 HB THR A 78 -2.243 7.729 6.294 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.307 8.606 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.910 9.284 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.518 10.070 6.644 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.060 10.427 7.458 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.313 8.295 3.215 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.224 8.409 2.194 1.00 0.00 C ATOM 1139 C PHE A 79 0.105 7.894 2.763 1.00 0.00 C ATOM 1140 O PHE A 79 1.119 8.560 2.706 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.068 9.873 1.758 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.586 9.929 0.326 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.702 10.397 0.036 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -1.428 9.510 -0.712 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.147 10.447 -1.290 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -0.982 9.560 -2.038 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.305 10.028 -2.327 1.00 0.00 C ATOM 0 H PHE A 79 -2.930 7.491 3.099 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.494 7.801 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.021 10.394 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.360 10.384 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.352 10.719 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.421 9.148 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.140 10.809 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.631 9.237 -2.838 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.649 10.066 -3.350 1.00 0.00 H new ATOM 1157 N ARG A 80 0.107 6.695 3.275 1.00 0.00 N ATOM 1158 CA ARG A 80 1.357 6.091 3.815 1.00 0.00 C ATOM 1159 C ARG A 80 1.319 4.606 3.473 1.00 0.00 C ATOM 1160 O ARG A 80 0.387 4.134 2.856 1.00 0.00 O ATOM 1161 CB ARG A 80 1.462 6.274 5.338 1.00 0.00 C ATOM 1162 CG ARG A 80 0.114 6.711 5.928 1.00 0.00 C ATOM 1163 CD ARG A 80 0.072 6.334 7.414 1.00 0.00 C ATOM 1164 NE ARG A 80 -1.261 6.666 7.995 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.371 6.971 9.262 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.541 7.255 9.763 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -0.314 6.986 10.028 1.00 0.00 N ATOM 0 H ARG A 80 -0.718 6.099 3.343 1.00 0.00 H new ATOM 0 HA ARG A 80 2.225 6.582 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.781 5.340 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.224 7.019 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.018 7.786 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.705 6.228 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.273 5.269 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.855 6.867 7.954 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.090 6.655 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.369 7.239 9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.629 7.493 10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.601 6.759 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.403 7.224 11.016 1.00 0.00 H new ATOM 1181 N LEU A 81 2.315 3.865 3.853 1.00 0.00 N ATOM 1182 CA LEU A 81 2.321 2.412 3.527 1.00 0.00 C ATOM 1183 C LEU A 81 2.275 1.589 4.807 1.00 0.00 C ATOM 1184 O LEU A 81 2.284 2.107 5.905 1.00 0.00 O ATOM 1185 CB LEU A 81 3.594 2.073 2.742 1.00 0.00 C ATOM 1186 CG LEU A 81 3.320 2.135 1.234 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.596 2.563 0.499 1.00 0.00 C ATOM 1188 CD2 LEU A 81 2.864 0.759 0.713 1.00 0.00 C ATOM 0 H LEU A 81 3.126 4.199 4.375 1.00 0.00 H new ATOM 0 HA LEU A 81 1.444 2.176 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.388 2.772 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.944 1.077 3.015 1.00 0.00 H new ATOM 0 HG LEU A 81 2.528 2.861 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.401 2.607 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.907 3.546 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.388 1.840 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.674 0.820 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.644 0.022 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.951 0.460 1.227 1.00 0.00 H new ATOM 1200 N TRP A 82 2.236 0.303 4.652 1.00 0.00 N ATOM 1201 CA TRP A 82 2.202 -0.607 5.823 1.00 0.00 C ATOM 1202 C TRP A 82 2.796 -1.937 5.382 1.00 0.00 C ATOM 1203 O TRP A 82 2.223 -2.651 4.585 1.00 0.00 O ATOM 1204 CB TRP A 82 0.755 -0.806 6.282 1.00 0.00 C ATOM 1205 CG TRP A 82 0.684 -1.871 7.335 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.736 -2.351 8.042 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.489 -2.593 7.811 1.00 0.00 C ATOM 1208 NE1 TRP A 82 1.281 -3.320 8.917 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.083 -3.506 8.813 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -1.853 -2.546 7.473 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.996 -4.341 9.456 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.776 -3.384 8.119 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.348 -4.280 9.108 1.00 0.00 C ATOM 0 H TRP A 82 2.226 -0.167 3.747 1.00 0.00 H new ATOM 0 HA TRP A 82 2.770 -0.190 6.655 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.359 0.130 6.675 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.132 -1.084 5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.762 -2.029 7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.881 -3.835 9.561 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.193 -1.860 6.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.661 -5.030 10.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.822 -3.338 7.852 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.062 -4.923 9.601 1.00 0.00 H new ATOM 1224 N CYS A 83 3.954 -2.264 5.872 1.00 0.00 N ATOM 1225 CA CYS A 83 4.594 -3.532 5.461 1.00 0.00 C ATOM 1226 C CYS A 83 4.220 -4.636 6.440 1.00 0.00 C ATOM 1227 O CYS A 83 4.714 -4.672 7.538 1.00 0.00 O ATOM 1228 CB CYS A 83 6.112 -3.350 5.473 1.00 0.00 C ATOM 1229 SG CYS A 83 6.846 -4.339 4.153 1.00 0.00 S ATOM 0 H CYS A 83 4.484 -1.705 6.541 1.00 0.00 H new ATOM 0 HA CYS A 83 4.256 -3.803 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.364 -2.298 5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.518 -3.653 6.438 1.00 0.00 H new ATOM 0 HG CYS A 83 8.087 -4.597 4.443 1.00 0.00 H new ATOM 1234 N TYR A 84 3.378 -5.550 6.056 1.00 0.00 N ATOM 1235 CA TYR A 84 3.043 -6.649 6.997 1.00 0.00 C ATOM 1236 C TYR A 84 4.306 -7.490 7.169 1.00 0.00 C ATOM 1237 O TYR A 84 4.328 -8.478 7.876 1.00 0.00 O ATOM 1238 CB TYR A 84 1.896 -7.506 6.435 1.00 0.00 C ATOM 1239 CG TYR A 84 1.101 -8.101 7.574 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.324 -9.427 7.967 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.142 -7.327 8.238 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.589 -9.978 9.023 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -0.594 -7.878 9.294 1.00 0.00 C ATOM 1244 CZ TYR A 84 -0.371 -9.203 9.686 1.00 0.00 C ATOM 1245 OH TYR A 84 -1.095 -9.747 10.728 1.00 0.00 O ATOM 0 H TYR A 84 2.914 -5.585 5.148 1.00 0.00 H new ATOM 0 HA TYR A 84 2.711 -6.251 7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.248 -6.896 5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.297 -8.300 5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.064 -10.025 7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.030 -6.305 7.936 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.762 -11.000 9.326 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.334 -7.281 9.806 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.717 -9.076 11.079 1.00 0.00 H new ATOM 1255 N ALA A 85 5.374 -7.064 6.540 1.00 0.00 N ATOM 1256 CA ALA A 85 6.670 -7.779 6.665 1.00 0.00 C ATOM 1257 C ALA A 85 7.510 -6.994 7.668 1.00 0.00 C ATOM 1258 O ALA A 85 7.696 -7.411 8.794 1.00 0.00 O ATOM 1259 CB ALA A 85 7.387 -7.830 5.314 1.00 0.00 C ATOM 0 H ALA A 85 5.397 -6.240 5.939 1.00 0.00 H new ATOM 0 HA ALA A 85 6.514 -8.806 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.334 -8.357 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.763 -8.354 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.575 -6.815 4.964 1.00 0.00 H new ATOM 1265 N CYS A 86 7.967 -5.822 7.294 1.00 0.00 N ATOM 1266 CA CYS A 86 8.720 -5.000 8.262 1.00 0.00 C ATOM 1267 C CYS A 86 7.726 -4.666 9.363 1.00 0.00 C ATOM 1268 O CYS A 86 8.063 -4.155 10.413 1.00 0.00 O ATOM 1269 CB CYS A 86 9.209 -3.715 7.584 1.00 0.00 C ATOM 1270 SG CYS A 86 10.171 -4.133 6.110 1.00 0.00 S ATOM 0 H CYS A 86 7.847 -5.412 6.368 1.00 0.00 H new ATOM 0 HA CYS A 86 9.596 -5.520 8.650 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.359 -3.090 7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.820 -3.136 8.277 1.00 0.00 H new ATOM 0 HG CYS A 86 9.777 -3.399 5.112 1.00 0.00 H new ATOM 1275 N GLU A 87 6.484 -4.973 9.098 1.00 0.00 N ATOM 1276 CA GLU A 87 5.398 -4.715 10.075 1.00 0.00 C ATOM 1277 C GLU A 87 5.534 -3.291 10.621 1.00 0.00 C ATOM 1278 O GLU A 87 5.703 -3.069 11.804 1.00 0.00 O ATOM 1279 CB GLU A 87 5.489 -5.760 11.187 1.00 0.00 C ATOM 1280 CG GLU A 87 4.205 -6.599 11.226 1.00 0.00 C ATOM 1281 CD GLU A 87 3.067 -5.764 11.816 1.00 0.00 C ATOM 1282 OE1 GLU A 87 2.139 -6.354 12.345 1.00 0.00 O ATOM 1283 OE2 GLU A 87 3.142 -4.549 11.729 1.00 0.00 O ATOM 0 H GLU A 87 6.175 -5.401 8.225 1.00 0.00 H new ATOM 0 HA GLU A 87 4.419 -4.796 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.351 -6.406 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.641 -5.268 12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.944 -6.930 10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.362 -7.495 11.826 1.00 0.00 H new ATOM 1290 N LYS A 88 5.449 -2.323 9.748 1.00 0.00 N ATOM 1291 CA LYS A 88 5.559 -0.902 10.182 1.00 0.00 C ATOM 1292 C LYS A 88 4.933 -0.009 9.111 1.00 0.00 C ATOM 1293 O LYS A 88 4.455 -0.483 8.101 1.00 0.00 O ATOM 1294 CB LYS A 88 7.031 -0.529 10.356 1.00 0.00 C ATOM 1295 CG LYS A 88 7.824 -1.061 9.165 1.00 0.00 C ATOM 1296 CD LYS A 88 9.244 -0.489 9.193 1.00 0.00 C ATOM 1297 CE LYS A 88 9.980 -0.983 10.443 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.742 -0.032 11.566 1.00 0.00 N ATOM 0 H LYS A 88 5.307 -2.458 8.747 1.00 0.00 H new ATOM 0 HA LYS A 88 5.041 -0.766 11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.139 0.553 10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.419 -0.949 11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.860 -2.150 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.329 -0.785 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.786 -0.793 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.207 0.600 9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.630 -1.979 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.048 -1.065 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.652 0.342 11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.146 0.754 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.262 -0.527 12.344 1.00 0.00 H new ATOM 1312 N GLU A 89 4.933 1.279 9.320 1.00 0.00 N ATOM 1313 CA GLU A 89 4.335 2.209 8.313 1.00 0.00 C ATOM 1314 C GLU A 89 5.458 2.933 7.568 1.00 0.00 C ATOM 1315 O GLU A 89 6.501 3.211 8.126 1.00 0.00 O ATOM 1316 CB GLU A 89 3.444 3.229 9.041 1.00 0.00 C ATOM 1317 CG GLU A 89 2.034 3.224 8.437 1.00 0.00 C ATOM 1318 CD GLU A 89 1.042 3.800 9.452 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.140 3.536 9.311 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.484 4.496 10.351 1.00 0.00 O ATOM 0 H GLU A 89 5.322 1.731 10.147 1.00 0.00 H new ATOM 0 HA GLU A 89 3.733 1.650 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.394 2.987 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.879 4.225 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.017 3.814 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.746 2.208 8.167 1.00 0.00 H new ATOM 1327 N VAL A 90 5.266 3.238 6.309 1.00 0.00 N ATOM 1328 CA VAL A 90 6.344 3.936 5.554 1.00 0.00 C ATOM 1329 C VAL A 90 5.723 4.783 4.438 1.00 0.00 C ATOM 1330 O VAL A 90 4.705 4.451 3.884 1.00 0.00 O ATOM 1331 CB VAL A 90 7.306 2.888 4.956 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.548 2.758 5.844 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.602 1.527 4.880 1.00 0.00 C ATOM 0 H VAL A 90 4.419 3.036 5.779 1.00 0.00 H new ATOM 0 HA VAL A 90 6.900 4.591 6.224 1.00 0.00 H new ATOM 0 HB VAL A 90 7.602 3.207 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.224 2.017 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.055 3.721 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.249 2.444 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.283 0.788 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.304 1.215 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.718 1.609 4.247 1.00 0.00 H new ATOM 1343 N PHE A 91 6.336 5.881 4.110 1.00 0.00 N ATOM 1344 CA PHE A 91 5.796 6.758 3.032 1.00 0.00 C ATOM 1345 C PHE A 91 6.600 6.544 1.767 1.00 0.00 C ATOM 1346 O PHE A 91 7.647 5.929 1.782 1.00 0.00 O ATOM 1347 CB PHE A 91 5.957 8.223 3.414 1.00 0.00 C ATOM 1348 CG PHE A 91 5.146 8.525 4.652 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.597 8.094 5.906 1.00 0.00 C ATOM 1350 CD2 PHE A 91 3.944 9.236 4.546 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.845 8.375 7.053 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.194 9.516 5.695 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.643 9.085 6.948 1.00 0.00 C ATOM 0 H PHE A 91 7.196 6.214 4.545 1.00 0.00 H new ATOM 0 HA PHE A 91 4.744 6.513 2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.008 8.447 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.632 8.860 2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.524 7.546 5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.596 9.568 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.193 8.044 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.268 10.065 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.063 9.300 7.833 1.00 0.00 H new ATOM 1363 N LEU A 92 6.135 7.073 0.673 1.00 0.00 N ATOM 1364 CA LEU A 92 6.895 6.929 -0.585 1.00 0.00 C ATOM 1365 C LEU A 92 8.368 7.180 -0.271 1.00 0.00 C ATOM 1366 O LEU A 92 8.704 8.003 0.557 1.00 0.00 O ATOM 1367 CB LEU A 92 6.401 7.958 -1.605 1.00 0.00 C ATOM 1368 CG LEU A 92 4.891 7.802 -1.810 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.339 9.051 -2.499 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.611 6.577 -2.685 1.00 0.00 C ATOM 0 H LEU A 92 5.263 7.597 0.600 1.00 0.00 H new ATOM 0 HA LEU A 92 6.759 5.931 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.628 8.966 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.922 7.823 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 92 4.409 7.673 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.264 8.941 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.533 9.925 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.826 9.178 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.536 6.470 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.095 6.703 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.003 5.684 -2.197 1.00 0.00 H new ATOM 1382 N GLU A 93 9.238 6.467 -0.909 1.00 0.00 N ATOM 1383 CA GLU A 93 10.698 6.637 -0.654 1.00 0.00 C ATOM 1384 C GLU A 93 11.083 8.124 -0.706 1.00 0.00 C ATOM 1385 O GLU A 93 12.240 8.472 -0.575 1.00 0.00 O ATOM 1386 CB GLU A 93 11.494 5.851 -1.699 1.00 0.00 C ATOM 1387 CG GLU A 93 10.948 6.144 -3.100 1.00 0.00 C ATOM 1388 CD GLU A 93 11.302 4.988 -4.040 1.00 0.00 C ATOM 1389 OE1 GLU A 93 12.235 4.265 -3.733 1.00 0.00 O ATOM 1390 OE2 GLU A 93 10.633 4.847 -5.051 1.00 0.00 O ATOM 0 H GLU A 93 9.004 5.762 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 93 10.931 6.256 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.548 6.123 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.430 4.783 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.867 6.276 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.369 7.076 -3.478 1.00 0.00 H new ATOM 1397 N GLN A 94 10.127 9.003 -0.881 1.00 0.00 N ATOM 1398 CA GLN A 94 10.439 10.464 -0.922 1.00 0.00 C ATOM 1399 C GLN A 94 11.317 10.795 -2.131 1.00 0.00 C ATOM 1400 O GLN A 94 11.549 11.948 -2.434 1.00 0.00 O ATOM 1401 CB GLN A 94 11.180 10.866 0.349 1.00 0.00 C ATOM 1402 CG GLN A 94 10.528 10.195 1.561 1.00 0.00 C ATOM 1403 CD GLN A 94 11.010 10.877 2.843 1.00 0.00 C ATOM 1404 OE1 GLN A 94 10.221 11.426 3.586 1.00 0.00 O ATOM 1405 NE2 GLN A 94 12.281 10.865 3.136 1.00 0.00 N ATOM 0 H GLN A 94 9.141 8.770 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 94 9.501 11.013 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.228 10.573 0.279 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.159 11.949 0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.443 10.262 1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.781 9.135 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.944 10.404 2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.612 11.316 3.989 1.00 0.00 H new