USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 629 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= -8.55! C(o=-15!,f=-19!) USER MOD Set 1.2: A 77 THR OG1 : rot 91:sc= -6.23! USER MOD Set 1.3: A 78 THR OG1 : rot -140:sc= -0.0409 USER MOD Set 2.1: A 8 CYS SG : rot 152:sc= -4.39 USER MOD Set 2.2: A 10 HIS : no HE2:sc= -2.35! C(o=-27!,f=-28!) USER MOD Set 2.3: A 71 ASN : amide:sc= -6.91! C(o=-27!,f=-24!) USER MOD Set 2.4: A 83 CYS SG : rot 8:sc= -6.99! USER MOD Set 2.5: A 86 CYS SG : rot 135:sc= -6.12! USER MOD Set 3.1: A 43 CYS SG : rot 136:sc= -1.95 USER MOD Set 3.2: A 45 GLN : amide:sc= -4.59 K(o=-14,f=-15) USER MOD Set 3.3: A 48 CYS SG : rot -148:sc= 0.14 USER MOD Set 3.4: A 64 HIS : no HE2:sc= -3.09 X(o=-14,f=-14) USER MOD Set 3.5: A 70 HIS : no HE2:sc= -4.38 K(o=-14,f=-13) USER MOD Set 4.1: A 39 ASN : amide:sc= -0.0274 K(o=-0.89,f=-8.4!) USER MOD Set 4.2: A 56 SER OG : rot -152:sc= -0.865 USER MOD Set 5.1: A 30 CYS SG : rot -152:sc= -0.61! USER MOD Set 5.2: A 33 CYS SG : rot -149:sc= -0.122 USER MOD Set 5.3: A 53 CYS SG : rot -119:sc= 1.58 USER MOD Set 5.4: A 60 HIS : no HE2:sc= -3.64! K(o=-2.8!,f=-0.74) USER MOD Set 6.1: A 31 GLN : amide:sc= -6.09! C(o=-5.9!,f=-7.7!) USER MOD Set 6.2: A 32 SER OG : rot 113:sc= 0.169 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -81:sc= -0.558 USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= 0.166 (180deg=0.124) USER MOD Single : A 25 LYS NZ :NH3+ -127:sc= -3.99! (180deg=-11.6!) USER MOD Single : A 26 SER OG : rot -49:sc= -0.647 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.08! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -118:sc= 0.0626 USER MOD Single : A 62 THR OG1 : rot -75:sc= 0.747 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 68 LYS NZ :NH3+ 138:sc= -0.046 (180deg=-0.634) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.187) USER MOD Single : A 73 THR OG1 : rot 66:sc= 0.419 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -113:sc= -0.363 (180deg=-1.57) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.451 0.842 4.292 1.00 0.00 N ATOM 85 CA LEU A 7 12.139 -0.037 3.131 1.00 0.00 C ATOM 86 C LEU A 7 11.857 -1.463 3.627 1.00 0.00 C ATOM 87 O LEU A 7 12.338 -1.879 4.662 1.00 0.00 O ATOM 88 CB LEU A 7 13.322 0.009 2.134 1.00 0.00 C ATOM 89 CG LEU A 7 14.278 -1.196 2.273 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.729 -1.377 3.731 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.605 -2.480 1.754 1.00 0.00 C ATOM 0 HA LEU A 7 11.246 0.312 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.931 0.040 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.884 0.930 2.288 1.00 0.00 H new ATOM 0 HG LEU A 7 15.163 -0.997 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.401 -2.232 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.249 -0.479 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.857 -1.548 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.293 -3.319 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.702 -2.676 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.344 -2.355 0.703 1.00 0.00 H new ATOM 103 N CYS A 8 11.067 -2.209 2.894 1.00 0.00 N ATOM 104 CA CYS A 8 10.734 -3.609 3.305 1.00 0.00 C ATOM 105 C CYS A 8 11.267 -4.579 2.242 1.00 0.00 C ATOM 106 O CYS A 8 11.518 -4.199 1.117 1.00 0.00 O ATOM 107 CB CYS A 8 9.203 -3.763 3.452 1.00 0.00 C ATOM 108 SG CYS A 8 8.585 -5.046 2.318 1.00 0.00 S ATOM 0 H CYS A 8 10.635 -1.905 2.021 1.00 0.00 H new ATOM 0 HA CYS A 8 11.197 -3.833 4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.954 -4.026 4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.713 -2.813 3.239 1.00 0.00 H new ATOM 0 HG CYS A 8 7.509 -5.582 2.814 1.00 0.00 H new ATOM 113 N PRO A 9 11.446 -5.822 2.595 1.00 0.00 N ATOM 114 CA PRO A 9 11.966 -6.867 1.659 1.00 0.00 C ATOM 115 C PRO A 9 11.146 -6.918 0.371 1.00 0.00 C ATOM 116 O PRO A 9 11.662 -6.794 -0.723 1.00 0.00 O ATOM 117 CB PRO A 9 11.796 -8.177 2.451 1.00 0.00 C ATOM 118 CG PRO A 9 10.845 -7.837 3.549 1.00 0.00 C ATOM 119 CD PRO A 9 11.157 -6.394 3.910 1.00 0.00 C ATOM 0 HA PRO A 9 12.994 -6.675 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.402 -8.973 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.749 -8.526 2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.811 -7.947 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.981 -8.496 4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.315 -5.901 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.007 -6.315 4.588 1.00 0.00 H new ATOM 127 N HIS A 10 9.866 -7.099 0.507 1.00 0.00 N ATOM 128 CA HIS A 10 8.977 -7.158 -0.690 1.00 0.00 C ATOM 129 C HIS A 10 8.739 -5.740 -1.207 1.00 0.00 C ATOM 130 O HIS A 10 8.050 -5.531 -2.184 1.00 0.00 O ATOM 131 CB HIS A 10 7.637 -7.812 -0.308 1.00 0.00 C ATOM 132 CG HIS A 10 7.874 -8.861 0.744 1.00 0.00 C ATOM 133 ND1 HIS A 10 7.899 -8.566 2.107 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.099 -10.211 0.645 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.133 -9.725 2.756 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.261 -10.749 1.913 1.00 0.00 N ATOM 0 H HIS A 10 9.390 -7.210 1.402 1.00 0.00 H new ATOM 0 HA HIS A 10 9.449 -7.753 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.945 -7.057 0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.175 -8.261 -1.187 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.766 -7.648 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.143 -10.769 -0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.208 -9.813 3.830 1.00 0.00 H new ATOM 144 N LEU A 11 9.310 -4.765 -0.556 1.00 0.00 N ATOM 145 CA LEU A 11 9.124 -3.355 -1.001 1.00 0.00 C ATOM 146 C LEU A 11 9.927 -3.110 -2.277 1.00 0.00 C ATOM 147 O LEU A 11 9.612 -2.240 -3.064 1.00 0.00 O ATOM 148 CB LEU A 11 9.607 -2.419 0.111 1.00 0.00 C ATOM 149 CG LEU A 11 9.068 -0.995 -0.114 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.674 -0.367 1.229 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.145 -0.136 -0.783 1.00 0.00 C ATOM 0 H LEU A 11 9.899 -4.884 0.268 1.00 0.00 H new ATOM 0 HA LEU A 11 8.071 -3.165 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.274 -2.792 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.697 -2.403 0.134 1.00 0.00 H new ATOM 0 HG LEU A 11 8.190 -1.045 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.293 0.641 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.901 -0.973 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.547 -0.322 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.761 0.872 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.025 -0.092 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.417 -0.575 -1.743 1.00 0.00 H new ATOM 163 N ASP A 12 10.960 -3.874 -2.494 1.00 0.00 N ATOM 164 CA ASP A 12 11.779 -3.691 -3.722 1.00 0.00 C ATOM 165 C ASP A 12 11.181 -4.526 -4.856 1.00 0.00 C ATOM 166 O ASP A 12 11.429 -4.284 -6.020 1.00 0.00 O ATOM 167 CB ASP A 12 13.210 -4.157 -3.447 1.00 0.00 C ATOM 168 CG ASP A 12 14.011 -4.159 -4.750 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.517 -3.110 -5.114 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.104 -5.210 -5.364 1.00 0.00 O ATOM 0 H ASP A 12 11.273 -4.619 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 12 11.786 -2.639 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.684 -3.499 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.200 -5.157 -3.013 1.00 0.00 H new ATOM 175 N SER A 13 10.399 -5.515 -4.520 1.00 0.00 N ATOM 176 CA SER A 13 9.787 -6.377 -5.572 1.00 0.00 C ATOM 177 C SER A 13 8.559 -5.683 -6.174 1.00 0.00 C ATOM 178 O SER A 13 8.235 -5.873 -7.330 1.00 0.00 O ATOM 179 CB SER A 13 9.363 -7.708 -4.949 1.00 0.00 C ATOM 180 OG SER A 13 9.036 -8.628 -5.984 1.00 0.00 O ATOM 0 H SER A 13 10.157 -5.764 -3.561 1.00 0.00 H new ATOM 0 HA SER A 13 10.518 -6.553 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.169 -8.107 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.504 -7.559 -4.294 1.00 0.00 H new ATOM 0 HG SER A 13 8.765 -9.483 -5.588 1.00 0.00 H new ATOM 186 N ILE A 14 7.870 -4.888 -5.403 1.00 0.00 N ATOM 187 CA ILE A 14 6.661 -4.193 -5.936 1.00 0.00 C ATOM 188 C ILE A 14 7.080 -3.077 -6.901 1.00 0.00 C ATOM 189 O ILE A 14 6.273 -2.544 -7.632 1.00 0.00 O ATOM 190 CB ILE A 14 5.880 -3.585 -4.777 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.808 -2.693 -3.948 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.326 -4.705 -3.889 1.00 0.00 C ATOM 193 CD1 ILE A 14 5.976 -1.785 -3.038 1.00 0.00 C ATOM 0 H ILE A 14 8.090 -4.689 -4.427 1.00 0.00 H new ATOM 0 HA ILE A 14 6.039 -4.913 -6.468 1.00 0.00 H new ATOM 0 HB ILE A 14 5.056 -2.990 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.479 -3.308 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.432 -2.090 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.768 -4.270 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.665 -5.342 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.151 -5.301 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.640 -1.152 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.323 -1.159 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.371 -2.397 -2.369 1.00 0.00 H new ATOM 205 N GLY A 15 8.334 -2.715 -6.906 1.00 0.00 N ATOM 206 CA GLY A 15 8.793 -1.632 -7.826 1.00 0.00 C ATOM 207 C GLY A 15 8.087 -0.316 -7.481 1.00 0.00 C ATOM 208 O GLY A 15 7.797 -0.039 -6.333 1.00 0.00 O ATOM 0 H GLY A 15 9.060 -3.120 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.873 -1.507 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.582 -1.908 -8.859 1.00 0.00 H new ATOM 212 N GLU A 16 7.813 0.497 -8.470 1.00 0.00 N ATOM 213 CA GLU A 16 7.129 1.803 -8.214 1.00 0.00 C ATOM 214 C GLU A 16 5.994 1.988 -9.226 1.00 0.00 C ATOM 215 O GLU A 16 6.213 2.388 -10.352 1.00 0.00 O ATOM 216 CB GLU A 16 8.148 2.944 -8.361 1.00 0.00 C ATOM 217 CG GLU A 16 7.431 4.299 -8.452 1.00 0.00 C ATOM 218 CD GLU A 16 8.456 5.426 -8.322 1.00 0.00 C ATOM 219 OE1 GLU A 16 9.446 5.384 -9.034 1.00 0.00 O ATOM 220 OE2 GLU A 16 8.234 6.312 -7.513 1.00 0.00 O ATOM 0 H GLU A 16 8.034 0.312 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 16 6.716 1.813 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.829 2.943 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.753 2.786 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.903 4.380 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.683 4.381 -7.664 1.00 0.00 H new ATOM 227 N VAL A 17 4.782 1.704 -8.833 1.00 0.00 N ATOM 228 CA VAL A 17 3.635 1.869 -9.769 1.00 0.00 C ATOM 229 C VAL A 17 3.434 3.358 -10.053 1.00 0.00 C ATOM 230 O VAL A 17 4.241 4.182 -9.672 1.00 0.00 O ATOM 231 CB VAL A 17 2.367 1.293 -9.134 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.451 -0.234 -9.120 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.239 1.809 -7.698 1.00 0.00 C ATOM 0 H VAL A 17 4.537 1.364 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 17 3.841 1.341 -10.700 1.00 0.00 H new ATOM 0 HB VAL A 17 1.497 1.603 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.548 -0.644 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.545 -0.603 -10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.320 -0.545 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.337 1.400 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.109 1.497 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.180 2.897 -7.706 1.00 0.00 H new ATOM 243 N THR A 18 2.365 3.718 -10.712 1.00 0.00 N ATOM 244 CA THR A 18 2.133 5.160 -10.998 1.00 0.00 C ATOM 245 C THR A 18 1.865 5.877 -9.677 1.00 0.00 C ATOM 246 O THR A 18 1.063 5.444 -8.876 1.00 0.00 O ATOM 247 CB THR A 18 0.928 5.312 -11.941 1.00 0.00 C ATOM 248 OG1 THR A 18 0.289 4.052 -12.092 1.00 0.00 O ATOM 249 CG2 THR A 18 1.400 5.806 -13.311 1.00 0.00 C ATOM 0 H THR A 18 1.649 3.081 -11.061 1.00 0.00 H new ATOM 0 HA THR A 18 3.007 5.596 -11.481 1.00 0.00 H new ATOM 0 HB THR A 18 0.229 6.034 -11.519 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.774 3.517 -12.754 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.542 5.912 -13.975 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.894 6.771 -13.199 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.101 5.087 -13.735 1.00 0.00 H new ATOM 257 N LYS A 19 2.523 6.973 -9.446 1.00 0.00 N ATOM 258 CA LYS A 19 2.294 7.717 -8.179 1.00 0.00 C ATOM 259 C LYS A 19 0.833 8.131 -8.167 1.00 0.00 C ATOM 260 O LYS A 19 0.086 7.808 -7.266 1.00 0.00 O ATOM 261 CB LYS A 19 3.210 8.949 -8.125 1.00 0.00 C ATOM 262 CG LYS A 19 4.256 8.858 -9.246 1.00 0.00 C ATOM 263 CD LYS A 19 5.564 9.530 -8.806 1.00 0.00 C ATOM 264 CE LYS A 19 6.471 8.488 -8.140 1.00 0.00 C ATOM 265 NZ LYS A 19 7.624 9.175 -7.490 1.00 0.00 N ATOM 0 H LYS A 19 3.209 7.387 -10.077 1.00 0.00 H new ATOM 0 HA LYS A 19 2.522 7.100 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.620 9.859 -8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.704 9.006 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.442 7.813 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.877 9.339 -10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.068 9.970 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.353 10.342 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.908 7.920 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.830 7.775 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.339 8.471 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.044 9.854 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.295 9.680 -6.642 1.00 0.00 H new ATOM 279 N GLU A 20 0.412 8.814 -9.194 1.00 0.00 N ATOM 280 CA GLU A 20 -1.008 9.214 -9.290 1.00 0.00 C ATOM 281 C GLU A 20 -1.856 8.001 -8.930 1.00 0.00 C ATOM 282 O GLU A 20 -2.918 8.117 -8.366 1.00 0.00 O ATOM 283 CB GLU A 20 -1.310 9.667 -10.715 1.00 0.00 C ATOM 284 CG GLU A 20 -2.823 9.676 -10.961 1.00 0.00 C ATOM 285 CD GLU A 20 -3.096 9.900 -12.449 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.279 10.538 -13.092 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.119 9.430 -12.920 1.00 0.00 O ATOM 0 H GLU A 20 0.999 9.112 -9.973 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.228 10.039 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.902 10.664 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.823 9.000 -11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.260 8.731 -10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.293 10.463 -10.371 1.00 0.00 H new ATOM 294 N ASP A 21 -1.378 6.828 -9.240 1.00 0.00 N ATOM 295 CA ASP A 21 -2.160 5.610 -8.891 1.00 0.00 C ATOM 296 C ASP A 21 -2.433 5.649 -7.392 1.00 0.00 C ATOM 297 O ASP A 21 -3.509 5.329 -6.932 1.00 0.00 O ATOM 298 CB ASP A 21 -1.361 4.349 -9.250 1.00 0.00 C ATOM 299 CG ASP A 21 -2.318 3.177 -9.487 1.00 0.00 C ATOM 300 OD1 ASP A 21 -1.842 2.108 -9.829 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.513 3.369 -9.322 1.00 0.00 O ATOM 0 H ASP A 21 -0.491 6.661 -9.714 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.097 5.586 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.763 4.529 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.667 4.106 -8.446 1.00 0.00 H new ATOM 306 N LEU A 22 -1.465 6.075 -6.632 1.00 0.00 N ATOM 307 CA LEU A 22 -1.658 6.173 -5.162 1.00 0.00 C ATOM 308 C LEU A 22 -2.544 7.379 -4.881 1.00 0.00 C ATOM 309 O LEU A 22 -3.177 7.485 -3.850 1.00 0.00 O ATOM 310 CB LEU A 22 -0.303 6.343 -4.469 1.00 0.00 C ATOM 311 CG LEU A 22 0.754 5.510 -5.198 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.078 5.585 -4.437 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.297 4.050 -5.277 1.00 0.00 C ATOM 0 H LEU A 22 -0.545 6.360 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.127 5.266 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.014 7.394 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.374 6.029 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 22 0.888 5.903 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.830 4.992 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.408 6.622 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.941 5.195 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.052 3.460 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.159 3.657 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.646 3.993 -5.821 1.00 0.00 H new ATOM 325 N LEU A 23 -2.590 8.284 -5.810 1.00 0.00 N ATOM 326 CA LEU A 23 -3.428 9.495 -5.645 1.00 0.00 C ATOM 327 C LEU A 23 -4.883 9.136 -5.951 1.00 0.00 C ATOM 328 O LEU A 23 -5.756 9.336 -5.128 1.00 0.00 O ATOM 329 CB LEU A 23 -2.900 10.566 -6.606 1.00 0.00 C ATOM 330 CG LEU A 23 -1.393 10.768 -6.360 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.907 12.009 -7.126 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.125 10.969 -4.862 1.00 0.00 C ATOM 0 H LEU A 23 -2.075 8.235 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.383 9.879 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.075 10.263 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.434 11.504 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.859 9.884 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.159 12.150 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.084 11.871 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.451 12.887 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.057 11.111 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.665 11.848 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.462 10.091 -4.311 1.00 0.00 H new ATOM 344 N LEU A 24 -5.168 8.574 -7.099 1.00 0.00 N ATOM 345 CA LEU A 24 -6.577 8.190 -7.369 1.00 0.00 C ATOM 346 C LEU A 24 -6.981 7.175 -6.319 1.00 0.00 C ATOM 347 O LEU A 24 -8.038 7.270 -5.750 1.00 0.00 O ATOM 348 CB LEU A 24 -6.747 7.594 -8.771 1.00 0.00 C ATOM 349 CG LEU A 24 -5.960 6.283 -8.923 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.880 5.082 -8.665 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.423 6.186 -10.356 1.00 0.00 C ATOM 0 H LEU A 24 -4.500 8.370 -7.842 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.210 9.076 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.804 7.410 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.407 8.313 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.140 6.275 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.312 4.158 -8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.282 5.142 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.700 5.091 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.863 5.258 -10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.256 6.198 -11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.767 7.033 -10.557 1.00 0.00 H new ATOM 363 N LYS A 25 -6.134 6.220 -6.024 1.00 0.00 N ATOM 364 CA LYS A 25 -6.491 5.231 -4.970 1.00 0.00 C ATOM 365 C LYS A 25 -7.010 6.020 -3.766 1.00 0.00 C ATOM 366 O LYS A 25 -8.023 5.696 -3.178 1.00 0.00 O ATOM 367 CB LYS A 25 -5.246 4.423 -4.584 1.00 0.00 C ATOM 368 CG LYS A 25 -5.008 3.319 -5.625 1.00 0.00 C ATOM 369 CD LYS A 25 -3.579 2.774 -5.495 1.00 0.00 C ATOM 370 CE LYS A 25 -3.478 1.408 -6.182 1.00 0.00 C ATOM 371 NZ LYS A 25 -3.451 1.598 -7.660 1.00 0.00 N ATOM 0 H LYS A 25 -5.223 6.086 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.251 4.534 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.377 5.079 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.377 3.983 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.728 2.513 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.165 3.714 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.872 3.471 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.310 2.683 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.577 0.890 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.325 0.783 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.189 1.011 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.626 2.598 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.520 1.318 -8.029 1.00 0.00 H new ATOM 385 N SER A 26 -6.330 7.083 -3.430 1.00 0.00 N ATOM 386 CA SER A 26 -6.767 7.948 -2.303 1.00 0.00 C ATOM 387 C SER A 26 -8.052 8.678 -2.718 1.00 0.00 C ATOM 388 O SER A 26 -8.477 9.618 -2.077 1.00 0.00 O ATOM 389 CB SER A 26 -5.670 8.985 -2.022 1.00 0.00 C ATOM 390 OG SER A 26 -5.805 9.466 -0.691 1.00 0.00 O ATOM 0 H SER A 26 -5.477 7.391 -3.898 1.00 0.00 H new ATOM 0 HA SER A 26 -6.948 7.348 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.686 8.537 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.746 9.811 -2.729 1.00 0.00 H new ATOM 0 HG SER A 26 -6.737 9.721 -0.528 1.00 0.00 H new ATOM 396 N LYS A 27 -8.651 8.274 -3.811 1.00 0.00 N ATOM 397 CA LYS A 27 -9.878 8.975 -4.291 1.00 0.00 C ATOM 398 C LYS A 27 -10.872 9.163 -3.143 1.00 0.00 C ATOM 399 O LYS A 27 -11.351 10.257 -2.920 1.00 0.00 O ATOM 400 CB LYS A 27 -10.538 8.193 -5.441 1.00 0.00 C ATOM 401 CG LYS A 27 -10.421 6.676 -5.219 1.00 0.00 C ATOM 402 CD LYS A 27 -11.702 5.986 -5.693 1.00 0.00 C ATOM 403 CE LYS A 27 -11.832 6.162 -7.207 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.061 5.471 -7.686 1.00 0.00 N ATOM 0 H LYS A 27 -8.343 7.492 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.584 9.956 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.589 8.472 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.066 8.463 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.562 6.284 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.252 6.465 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.675 4.927 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.569 6.413 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.877 7.222 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.954 5.753 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.148 5.591 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.000 4.458 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.894 5.881 -7.218 1.00 0.00 H new ATOM 418 N GLY A 28 -11.186 8.134 -2.393 1.00 0.00 N ATOM 419 CA GLY A 28 -12.137 8.330 -1.267 1.00 0.00 C ATOM 420 C GLY A 28 -13.040 7.118 -1.097 1.00 0.00 C ATOM 421 O GLY A 28 -13.982 7.155 -0.336 1.00 0.00 O ATOM 0 H GLY A 28 -10.830 7.186 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.583 8.507 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.744 9.217 -1.449 1.00 0.00 H new ATOM 425 N THR A 29 -12.793 6.048 -1.795 1.00 0.00 N ATOM 426 CA THR A 29 -13.685 4.871 -1.628 1.00 0.00 C ATOM 427 C THR A 29 -13.001 3.578 -2.109 1.00 0.00 C ATOM 428 O THR A 29 -12.201 3.586 -3.023 1.00 0.00 O ATOM 429 CB THR A 29 -14.957 5.117 -2.442 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.772 6.261 -3.264 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.152 5.348 -1.511 1.00 0.00 C ATOM 0 H THR A 29 -12.028 5.937 -2.461 1.00 0.00 H new ATOM 0 HA THR A 29 -13.920 4.746 -0.571 1.00 0.00 H new ATOM 0 HB THR A 29 -15.157 4.241 -3.060 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.584 6.422 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.049 5.521 -2.106 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.298 4.470 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.960 6.217 -0.882 1.00 0.00 H new ATOM 439 N CYS A 30 -13.353 2.464 -1.516 1.00 0.00 N ATOM 440 CA CYS A 30 -12.778 1.151 -1.948 1.00 0.00 C ATOM 441 C CYS A 30 -13.257 0.881 -3.375 1.00 0.00 C ATOM 442 O CYS A 30 -14.363 1.231 -3.737 1.00 0.00 O ATOM 443 CB CYS A 30 -13.281 0.037 -1.017 1.00 0.00 C ATOM 444 SG CYS A 30 -12.662 -1.570 -1.589 1.00 0.00 S ATOM 0 H CYS A 30 -14.019 2.407 -0.745 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.689 1.177 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.945 0.224 0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.371 0.031 -0.998 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.490 -2.506 -1.231 1.00 0.00 H new ATOM 449 N GLN A 31 -12.447 0.280 -4.203 1.00 0.00 N ATOM 450 CA GLN A 31 -12.895 0.030 -5.604 1.00 0.00 C ATOM 451 C GLN A 31 -13.808 -1.196 -5.662 1.00 0.00 C ATOM 452 O GLN A 31 -14.510 -1.405 -6.632 1.00 0.00 O ATOM 453 CB GLN A 31 -11.688 -0.186 -6.520 1.00 0.00 C ATOM 454 CG GLN A 31 -10.758 -1.256 -5.941 1.00 0.00 C ATOM 455 CD GLN A 31 -11.397 -2.639 -6.081 1.00 0.00 C ATOM 456 OE1 GLN A 31 -11.175 -3.507 -5.260 1.00 0.00 O ATOM 457 NE2 GLN A 31 -12.184 -2.885 -7.092 1.00 0.00 N ATOM 0 H GLN A 31 -11.507 -0.045 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.450 0.904 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.026 -0.488 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.144 0.751 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.800 -1.235 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.557 -1.044 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.371 -2.157 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.612 -3.805 -7.193 1.00 0.00 H new ATOM 466 N SER A 32 -13.811 -2.008 -4.638 1.00 0.00 N ATOM 467 CA SER A 32 -14.687 -3.218 -4.649 1.00 0.00 C ATOM 468 C SER A 32 -15.796 -3.059 -3.606 1.00 0.00 C ATOM 469 O SER A 32 -16.751 -3.809 -3.590 1.00 0.00 O ATOM 470 CB SER A 32 -13.853 -4.457 -4.324 1.00 0.00 C ATOM 471 OG SER A 32 -13.082 -4.815 -5.464 1.00 0.00 O ATOM 0 H SER A 32 -13.247 -1.887 -3.797 1.00 0.00 H new ATOM 0 HA SER A 32 -15.134 -3.331 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.198 -4.257 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.504 -5.283 -4.037 1.00 0.00 H new ATOM 0 HG SER A 32 -12.131 -4.674 -5.273 1.00 0.00 H new ATOM 477 N CYS A 33 -15.679 -2.088 -2.737 1.00 0.00 N ATOM 478 CA CYS A 33 -16.732 -1.883 -1.697 1.00 0.00 C ATOM 479 C CYS A 33 -17.226 -0.436 -1.737 1.00 0.00 C ATOM 480 O CYS A 33 -18.332 -0.143 -1.327 1.00 0.00 O ATOM 481 CB CYS A 33 -16.156 -2.179 -0.309 1.00 0.00 C ATOM 482 SG CYS A 33 -15.342 -3.791 -0.328 1.00 0.00 S ATOM 0 H CYS A 33 -14.901 -1.429 -2.702 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.563 -2.558 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.444 -1.403 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.951 -2.170 0.436 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.441 -4.341 0.846 1.00 0.00 H new ATOM 487 N GLY A 34 -16.422 0.477 -2.212 1.00 0.00 N ATOM 488 CA GLY A 34 -16.872 1.896 -2.250 1.00 0.00 C ATOM 489 C GLY A 34 -17.374 2.278 -0.860 1.00 0.00 C ATOM 490 O GLY A 34 -18.556 2.464 -0.642 1.00 0.00 O ATOM 0 H GLY A 34 -15.483 0.304 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.050 2.547 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.664 2.023 -2.988 1.00 0.00 H new ATOM 494 N VAL A 35 -16.483 2.355 0.091 1.00 0.00 N ATOM 495 CA VAL A 35 -16.894 2.681 1.489 1.00 0.00 C ATOM 496 C VAL A 35 -16.460 4.095 1.902 1.00 0.00 C ATOM 497 O VAL A 35 -17.213 4.795 2.546 1.00 0.00 O ATOM 498 CB VAL A 35 -16.277 1.639 2.430 1.00 0.00 C ATOM 499 CG1 VAL A 35 -17.000 0.296 2.230 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.789 1.471 2.104 1.00 0.00 C ATOM 0 H VAL A 35 -15.483 2.205 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.982 2.655 1.550 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.384 1.967 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.568 -0.452 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.059 0.416 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.885 -0.028 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.351 0.730 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.678 1.138 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.278 2.425 2.235 1.00 0.00 H new ATOM 510 N THR A 36 -15.274 4.536 1.553 1.00 0.00 N ATOM 511 CA THR A 36 -14.851 5.911 1.961 1.00 0.00 C ATOM 512 C THR A 36 -13.341 6.064 1.793 1.00 0.00 C ATOM 513 O THR A 36 -12.661 5.153 1.374 1.00 0.00 O ATOM 514 CB THR A 36 -15.211 6.162 3.434 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.379 7.192 3.948 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.998 4.883 4.256 1.00 0.00 C ATOM 0 H THR A 36 -14.589 4.010 1.010 1.00 0.00 H new ATOM 0 HA THR A 36 -15.369 6.632 1.329 1.00 0.00 H new ATOM 0 HB THR A 36 -16.258 6.458 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.606 7.357 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.256 5.073 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.633 4.088 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.953 4.578 4.191 1.00 0.00 H new ATOM 524 N GLY A 37 -12.821 7.219 2.118 1.00 0.00 N ATOM 525 CA GLY A 37 -11.358 7.465 1.982 1.00 0.00 C ATOM 526 C GLY A 37 -10.640 7.109 3.278 1.00 0.00 C ATOM 527 O GLY A 37 -9.850 6.189 3.328 1.00 0.00 O ATOM 0 H GLY A 37 -13.356 8.010 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.957 6.871 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.180 8.512 1.735 1.00 0.00 H new ATOM 531 N PRO A 38 -10.896 7.836 4.327 1.00 0.00 N ATOM 532 CA PRO A 38 -10.248 7.573 5.625 1.00 0.00 C ATOM 533 C PRO A 38 -10.226 6.083 5.947 1.00 0.00 C ATOM 534 O PRO A 38 -11.229 5.400 5.890 1.00 0.00 O ATOM 535 CB PRO A 38 -11.083 8.341 6.653 1.00 0.00 C ATOM 536 CG PRO A 38 -12.174 9.044 5.889 1.00 0.00 C ATOM 537 CD PRO A 38 -11.812 8.974 4.401 1.00 0.00 C ATOM 0 HA PRO A 38 -9.206 7.892 5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.505 7.662 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.466 9.058 7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.138 8.569 6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.263 10.081 6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.694 8.820 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.338 9.894 4.059 1.00 0.00 H new ATOM 545 N ASN A 39 -9.082 5.588 6.286 1.00 0.00 N ATOM 546 CA ASN A 39 -8.944 4.147 6.625 1.00 0.00 C ATOM 547 C ASN A 39 -8.935 3.292 5.352 1.00 0.00 C ATOM 548 O ASN A 39 -9.239 2.117 5.393 1.00 0.00 O ATOM 549 CB ASN A 39 -10.106 3.709 7.528 1.00 0.00 C ATOM 550 CG ASN A 39 -9.608 2.687 8.553 1.00 0.00 C ATOM 551 OD1 ASN A 39 -10.139 1.600 8.652 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.601 2.994 9.326 1.00 0.00 N ATOM 0 H ASN A 39 -8.217 6.126 6.345 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.000 4.006 7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.528 4.574 8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.904 3.275 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.261 2.320 10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.154 3.907 9.243 1.00 0.00 H new ATOM 559 N LEU A 40 -8.573 3.849 4.227 1.00 0.00 N ATOM 560 CA LEU A 40 -8.536 3.018 2.987 1.00 0.00 C ATOM 561 C LEU A 40 -7.189 2.293 2.935 1.00 0.00 C ATOM 562 O LEU A 40 -6.277 2.600 3.672 1.00 0.00 O ATOM 563 CB LEU A 40 -8.682 3.889 1.726 1.00 0.00 C ATOM 564 CG LEU A 40 -10.159 4.143 1.361 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.209 4.775 -0.033 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.953 2.829 1.337 1.00 0.00 C ATOM 0 H LEU A 40 -8.305 4.827 4.112 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.365 2.311 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.180 4.843 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.182 3.401 0.890 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.601 4.802 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.246 4.963 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.659 5.716 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.757 4.096 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.991 3.036 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.521 2.156 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.912 2.361 2.320 1.00 0.00 H new ATOM 578 N TRP A 41 -7.065 1.331 2.071 1.00 0.00 N ATOM 579 CA TRP A 41 -5.782 0.572 1.961 1.00 0.00 C ATOM 580 C TRP A 41 -5.672 -0.014 0.558 1.00 0.00 C ATOM 581 O TRP A 41 -6.166 -1.089 0.281 1.00 0.00 O ATOM 582 CB TRP A 41 -5.748 -0.573 2.982 1.00 0.00 C ATOM 583 CG TRP A 41 -5.973 -0.040 4.361 1.00 0.00 C ATOM 584 CD1 TRP A 41 -7.161 0.386 4.837 1.00 0.00 C ATOM 585 CD2 TRP A 41 -5.017 0.118 5.452 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.997 0.809 6.143 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.695 0.660 6.570 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.642 -0.151 5.582 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -5.037 0.928 7.770 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.977 0.116 6.791 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.673 0.654 7.881 1.00 0.00 C ATOM 0 H TRP A 41 -7.799 1.031 1.429 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.951 1.249 2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.514 -1.310 2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.787 -1.085 2.934 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -8.090 0.395 4.287 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.749 1.186 6.721 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.095 -0.565 4.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.579 1.344 8.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.922 -0.095 6.880 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.155 0.857 8.807 1.00 0.00 H new ATOM 602 N ALA A 42 -5.045 0.690 -0.338 1.00 0.00 N ATOM 603 CA ALA A 42 -4.922 0.182 -1.727 1.00 0.00 C ATOM 604 C ALA A 42 -3.689 -0.708 -1.871 1.00 0.00 C ATOM 605 O ALA A 42 -2.649 -0.453 -1.298 1.00 0.00 O ATOM 606 CB ALA A 42 -4.797 1.367 -2.679 1.00 0.00 C ATOM 0 H ALA A 42 -4.612 1.597 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.807 -0.407 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.706 1.003 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.683 1.996 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.912 1.949 -2.421 1.00 0.00 H new ATOM 612 N CYS A 43 -3.803 -1.742 -2.658 1.00 0.00 N ATOM 613 CA CYS A 43 -2.647 -2.650 -2.877 1.00 0.00 C ATOM 614 C CYS A 43 -1.518 -1.855 -3.525 1.00 0.00 C ATOM 615 O CYS A 43 -1.756 -0.881 -4.211 1.00 0.00 O ATOM 616 CB CYS A 43 -3.067 -3.788 -3.802 1.00 0.00 C ATOM 617 SG CYS A 43 -1.863 -5.130 -3.694 1.00 0.00 S ATOM 0 H CYS A 43 -4.653 -1.997 -3.161 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.311 -3.065 -1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.057 -4.150 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.136 -3.429 -4.829 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.487 -6.267 -3.611 1.00 0.00 H new ATOM 622 N LEU A 44 -0.293 -2.246 -3.307 1.00 0.00 N ATOM 623 CA LEU A 44 0.839 -1.487 -3.908 1.00 0.00 C ATOM 624 C LEU A 44 1.845 -2.441 -4.552 1.00 0.00 C ATOM 625 O LEU A 44 3.037 -2.299 -4.373 1.00 0.00 O ATOM 626 CB LEU A 44 1.529 -0.674 -2.810 1.00 0.00 C ATOM 627 CG LEU A 44 2.490 0.348 -3.440 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.726 1.618 -3.819 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.588 0.707 -2.437 1.00 0.00 C ATOM 0 H LEU A 44 -0.028 -3.053 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 44 0.454 -0.822 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.784 -0.159 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.078 -1.339 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 44 2.935 -0.090 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.414 2.337 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.944 1.371 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.276 2.052 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.268 1.431 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.137 1.138 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.142 -0.192 -2.167 1.00 0.00 H new ATOM 641 N GLN A 45 1.393 -3.410 -5.310 1.00 0.00 N ATOM 642 CA GLN A 45 2.364 -4.338 -5.958 1.00 0.00 C ATOM 643 C GLN A 45 2.675 -3.850 -7.376 1.00 0.00 C ATOM 644 O GLN A 45 1.853 -3.251 -8.040 1.00 0.00 O ATOM 645 CB GLN A 45 1.804 -5.761 -6.018 1.00 0.00 C ATOM 646 CG GLN A 45 1.005 -6.076 -4.744 1.00 0.00 C ATOM 647 CD GLN A 45 1.807 -7.042 -3.866 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.294 -8.048 -4.338 1.00 0.00 O ATOM 649 NE2 GLN A 45 1.969 -6.771 -2.598 1.00 0.00 N ATOM 0 H GLN A 45 0.409 -3.595 -5.505 1.00 0.00 H new ATOM 0 HA GLN A 45 3.277 -4.350 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.163 -5.870 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.620 -6.475 -6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.796 -5.157 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.043 -6.517 -5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.560 -5.925 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.505 -7.405 -2.005 1.00 0.00 H new ATOM 658 N VAL A 46 3.871 -4.098 -7.823 1.00 0.00 N ATOM 659 CA VAL A 46 4.298 -3.657 -9.186 1.00 0.00 C ATOM 660 C VAL A 46 3.174 -3.830 -10.216 1.00 0.00 C ATOM 661 O VAL A 46 3.196 -3.209 -11.259 1.00 0.00 O ATOM 662 CB VAL A 46 5.505 -4.492 -9.627 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.060 -5.927 -9.919 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.115 -3.881 -10.891 1.00 0.00 C ATOM 0 H VAL A 46 4.587 -4.597 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 46 4.554 -2.599 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 46 6.249 -4.499 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.920 -6.518 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.628 -6.364 -9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.314 -5.922 -10.714 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.973 -4.475 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.370 -3.872 -11.687 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.436 -2.860 -10.683 1.00 0.00 H new ATOM 674 N ALA A 47 2.206 -4.672 -9.964 1.00 0.00 N ATOM 675 CA ALA A 47 1.126 -4.858 -10.980 1.00 0.00 C ATOM 676 C ALA A 47 -0.222 -5.137 -10.312 1.00 0.00 C ATOM 677 O ALA A 47 -0.897 -6.091 -10.647 1.00 0.00 O ATOM 678 CB ALA A 47 1.488 -6.034 -11.889 1.00 0.00 C ATOM 0 H ALA A 47 2.116 -5.230 -9.115 1.00 0.00 H new ATOM 0 HA ALA A 47 1.039 -3.939 -11.560 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.703 -6.174 -12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.432 -5.827 -12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.587 -6.940 -11.290 1.00 0.00 H new ATOM 684 N CYS A 48 -0.637 -4.313 -9.389 1.00 0.00 N ATOM 685 CA CYS A 48 -1.956 -4.544 -8.735 1.00 0.00 C ATOM 686 C CYS A 48 -2.629 -3.205 -8.423 1.00 0.00 C ATOM 687 O CYS A 48 -2.577 -2.722 -7.309 1.00 0.00 O ATOM 688 CB CYS A 48 -1.755 -5.316 -7.435 1.00 0.00 C ATOM 689 SG CYS A 48 -3.328 -6.052 -6.937 1.00 0.00 S ATOM 0 H CYS A 48 -0.124 -3.495 -9.061 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.589 -5.118 -9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.003 -6.093 -7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.388 -4.650 -6.655 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.394 -6.098 -5.640 1.00 0.00 H new ATOM 694 N PRO A 49 -3.268 -2.614 -9.397 1.00 0.00 N ATOM 695 CA PRO A 49 -3.974 -1.319 -9.221 1.00 0.00 C ATOM 696 C PRO A 49 -5.405 -1.516 -8.707 1.00 0.00 C ATOM 697 O PRO A 49 -6.302 -1.846 -9.455 1.00 0.00 O ATOM 698 CB PRO A 49 -3.982 -0.742 -10.634 1.00 0.00 C ATOM 699 CG PRO A 49 -4.020 -1.934 -11.543 1.00 0.00 C ATOM 700 CD PRO A 49 -3.386 -3.107 -10.778 1.00 0.00 C ATOM 0 HA PRO A 49 -3.494 -0.674 -8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.847 -0.098 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.095 -0.135 -10.817 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.046 -2.169 -11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.472 -1.734 -12.464 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.009 -4.000 -10.830 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.413 -3.372 -11.191 1.00 0.00 H new ATOM 708 N TYR A 50 -5.618 -1.307 -7.436 1.00 0.00 N ATOM 709 CA TYR A 50 -6.980 -1.474 -6.852 1.00 0.00 C ATOM 710 C TYR A 50 -6.976 -0.881 -5.444 1.00 0.00 C ATOM 711 O TYR A 50 -6.071 -1.122 -4.670 1.00 0.00 O ATOM 712 CB TYR A 50 -7.332 -2.963 -6.766 1.00 0.00 C ATOM 713 CG TYR A 50 -7.586 -3.514 -8.150 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.727 -3.122 -8.863 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.682 -4.418 -8.722 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.961 -3.631 -10.145 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.918 -4.928 -10.005 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.057 -4.535 -10.715 1.00 0.00 C ATOM 719 OH TYR A 50 -8.288 -5.037 -11.980 1.00 0.00 O ATOM 0 H TYR A 50 -4.899 -1.025 -6.770 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.715 -0.969 -7.479 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.518 -3.511 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.215 -3.101 -6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.426 -2.427 -8.423 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.803 -4.722 -8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.839 -3.326 -10.695 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.220 -5.625 -10.446 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.564 -5.650 -12.226 1.00 0.00 H new ATOM 729 N VAL A 51 -7.969 -0.105 -5.098 1.00 0.00 N ATOM 730 CA VAL A 51 -7.994 0.497 -3.732 1.00 0.00 C ATOM 731 C VAL A 51 -8.972 -0.275 -2.841 1.00 0.00 C ATOM 732 O VAL A 51 -10.173 -0.165 -2.970 1.00 0.00 O ATOM 733 CB VAL A 51 -8.392 1.973 -3.828 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.551 2.137 -4.816 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.804 2.496 -2.450 1.00 0.00 C ATOM 0 H VAL A 51 -8.758 0.137 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.001 0.433 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.537 2.548 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.829 3.189 -4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.243 1.783 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.407 1.556 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.085 3.546 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.652 1.920 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.968 2.395 -1.758 1.00 0.00 H new ATOM 745 N GLY A 52 -8.455 -1.071 -1.943 1.00 0.00 N ATOM 746 CA GLY A 52 -9.340 -1.874 -1.051 1.00 0.00 C ATOM 747 C GLY A 52 -9.738 -1.071 0.191 1.00 0.00 C ATOM 748 O GLY A 52 -9.430 0.096 0.319 1.00 0.00 O ATOM 0 H GLY A 52 -7.455 -1.200 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.235 -2.176 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.827 -2.787 -0.750 1.00 0.00 H new ATOM 752 N CYS A 53 -10.434 -1.703 1.103 1.00 0.00 N ATOM 753 CA CYS A 53 -10.886 -1.012 2.346 1.00 0.00 C ATOM 754 C CYS A 53 -9.981 -1.358 3.511 1.00 0.00 C ATOM 755 O CYS A 53 -9.150 -2.242 3.457 1.00 0.00 O ATOM 756 CB CYS A 53 -12.277 -1.513 2.767 1.00 0.00 C ATOM 757 SG CYS A 53 -12.589 -3.135 2.027 1.00 0.00 S ATOM 0 H CYS A 53 -10.711 -2.682 1.036 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.881 0.056 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.337 -1.580 3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.041 -0.804 2.449 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.635 -3.067 1.258 1.00 0.00 H new ATOM 762 N GLY A 54 -10.238 -0.700 4.594 1.00 0.00 N ATOM 763 CA GLY A 54 -9.534 -0.981 5.860 1.00 0.00 C ATOM 764 C GLY A 54 -10.629 -1.473 6.785 1.00 0.00 C ATOM 765 O GLY A 54 -11.789 -1.239 6.514 1.00 0.00 O ATOM 0 H GLY A 54 -10.931 0.046 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.756 -1.733 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.049 -0.088 6.254 1.00 0.00 H new ATOM 769 N GLU A 55 -10.318 -2.155 7.844 1.00 0.00 N ATOM 770 CA GLU A 55 -11.412 -2.640 8.742 1.00 0.00 C ATOM 771 C GLU A 55 -12.619 -1.733 8.595 1.00 0.00 C ATOM 772 O GLU A 55 -13.750 -2.176 8.594 1.00 0.00 O ATOM 773 CB GLU A 55 -10.945 -2.604 10.186 1.00 0.00 C ATOM 774 CG GLU A 55 -10.758 -1.151 10.634 1.00 0.00 C ATOM 775 CD GLU A 55 -9.941 -1.115 11.927 1.00 0.00 C ATOM 776 OE1 GLU A 55 -10.406 -0.512 12.881 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.867 -1.692 11.942 1.00 0.00 O ATOM 0 H GLU A 55 -9.370 -2.399 8.131 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.675 -3.662 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.674 -3.101 10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.007 -3.149 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.251 -0.582 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.728 -0.680 10.792 1.00 0.00 H new ATOM 784 N SER A 56 -12.366 -0.466 8.440 1.00 0.00 N ATOM 785 CA SER A 56 -13.469 0.513 8.245 1.00 0.00 C ATOM 786 C SER A 56 -14.644 -0.212 7.590 1.00 0.00 C ATOM 787 O SER A 56 -15.781 -0.070 7.992 1.00 0.00 O ATOM 788 CB SER A 56 -12.967 1.632 7.331 1.00 0.00 C ATOM 789 OG SER A 56 -12.822 2.827 8.088 1.00 0.00 O ATOM 0 H SER A 56 -11.430 -0.061 8.440 1.00 0.00 H new ATOM 0 HA SER A 56 -13.789 0.939 9.196 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.013 1.352 6.885 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.668 1.790 6.511 1.00 0.00 H new ATOM 0 HG SER A 56 -12.942 3.603 7.501 1.00 0.00 H new ATOM 795 N PHE A 57 -14.360 -1.020 6.598 1.00 0.00 N ATOM 796 CA PHE A 57 -15.446 -1.796 5.928 1.00 0.00 C ATOM 797 C PHE A 57 -15.200 -3.286 6.138 1.00 0.00 C ATOM 798 O PHE A 57 -15.608 -3.869 7.122 1.00 0.00 O ATOM 799 CB PHE A 57 -15.460 -1.518 4.429 1.00 0.00 C ATOM 800 CG PHE A 57 -16.536 -2.368 3.786 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.879 -2.184 4.140 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.190 -3.343 2.840 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.873 -2.973 3.551 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.187 -4.131 2.251 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.527 -3.946 2.606 1.00 0.00 C ATOM 0 H PHE A 57 -13.424 -1.175 6.225 1.00 0.00 H new ATOM 0 HA PHE A 57 -16.401 -1.497 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.652 -0.461 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.487 -1.747 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -18.147 -1.433 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.155 -3.486 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.908 -2.831 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.921 -4.882 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.295 -4.554 2.151 1.00 0.00 H new ATOM 815 N ALA A 58 -14.524 -3.895 5.207 1.00 0.00 N ATOM 816 CA ALA A 58 -14.218 -5.352 5.311 1.00 0.00 C ATOM 817 C ALA A 58 -12.702 -5.532 5.283 1.00 0.00 C ATOM 818 O ALA A 58 -12.190 -6.632 5.339 1.00 0.00 O ATOM 819 CB ALA A 58 -14.846 -6.093 4.129 1.00 0.00 C ATOM 0 H ALA A 58 -14.165 -3.442 4.367 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.625 -5.755 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.622 -7.157 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.926 -5.948 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.438 -5.703 3.197 1.00 0.00 H new ATOM 825 N ASP A 59 -11.988 -4.447 5.196 1.00 0.00 N ATOM 826 CA ASP A 59 -10.502 -4.515 5.163 1.00 0.00 C ATOM 827 C ASP A 59 -10.035 -5.434 4.035 1.00 0.00 C ATOM 828 O ASP A 59 -9.399 -6.440 4.278 1.00 0.00 O ATOM 829 CB ASP A 59 -9.974 -5.045 6.503 1.00 0.00 C ATOM 830 CG ASP A 59 -8.464 -5.267 6.415 1.00 0.00 C ATOM 831 OD1 ASP A 59 -8.060 -6.392 6.169 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.735 -4.307 6.600 1.00 0.00 O ATOM 0 H ASP A 59 -12.375 -3.505 5.146 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.113 -3.512 4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.200 -4.336 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.474 -5.980 6.757 1.00 0.00 H new ATOM 837 N HIS A 60 -10.310 -5.097 2.799 1.00 0.00 N ATOM 838 CA HIS A 60 -9.822 -5.969 1.691 1.00 0.00 C ATOM 839 C HIS A 60 -8.341 -6.216 1.955 1.00 0.00 C ATOM 840 O HIS A 60 -7.767 -7.189 1.530 1.00 0.00 O ATOM 841 CB HIS A 60 -9.988 -5.262 0.336 1.00 0.00 C ATOM 842 CG HIS A 60 -11.141 -5.854 -0.434 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.272 -5.114 -0.788 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.345 -7.116 -0.934 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.088 -5.944 -1.469 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.570 -7.167 -1.582 1.00 0.00 N ATOM 0 H HIS A 60 -10.840 -4.273 2.515 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.388 -6.900 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.158 -4.197 0.494 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.070 -5.356 -0.244 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.447 -4.133 -0.572 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.657 -7.943 -0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.046 -5.653 -1.874 1.00 0.00 H new ATOM 854 N SER A 61 -7.734 -5.319 2.674 1.00 0.00 N ATOM 855 CA SER A 61 -6.288 -5.454 3.005 1.00 0.00 C ATOM 856 C SER A 61 -5.977 -6.887 3.442 1.00 0.00 C ATOM 857 O SER A 61 -4.899 -7.395 3.206 1.00 0.00 O ATOM 858 CB SER A 61 -5.960 -4.491 4.148 1.00 0.00 C ATOM 859 OG SER A 61 -4.600 -4.089 4.050 1.00 0.00 O ATOM 0 H SER A 61 -8.183 -4.485 3.053 1.00 0.00 H new ATOM 0 HA SER A 61 -5.688 -5.219 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.613 -3.619 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.140 -4.974 5.108 1.00 0.00 H new ATOM 0 HG SER A 61 -4.114 -4.381 4.850 1.00 0.00 H new ATOM 865 N THR A 62 -6.901 -7.540 4.090 1.00 0.00 N ATOM 866 CA THR A 62 -6.632 -8.926 4.550 1.00 0.00 C ATOM 867 C THR A 62 -7.019 -9.932 3.474 1.00 0.00 C ATOM 868 O THR A 62 -6.184 -10.636 2.943 1.00 0.00 O ATOM 869 CB THR A 62 -7.446 -9.221 5.803 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.721 -8.602 5.697 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.717 -8.691 7.041 1.00 0.00 C ATOM 0 H THR A 62 -7.825 -7.174 4.319 1.00 0.00 H new ATOM 0 HA THR A 62 -5.566 -9.013 4.763 1.00 0.00 H new ATOM 0 HB THR A 62 -7.571 -10.299 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.629 -7.637 5.839 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.308 -8.907 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.744 -9.175 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.580 -7.614 6.949 1.00 0.00 H new ATOM 879 N ILE A 63 -8.284 -10.031 3.163 1.00 0.00 N ATOM 880 CA ILE A 63 -8.697 -11.023 2.143 1.00 0.00 C ATOM 881 C ILE A 63 -7.928 -10.762 0.849 1.00 0.00 C ATOM 882 O ILE A 63 -7.612 -11.669 0.105 1.00 0.00 O ATOM 883 CB ILE A 63 -10.194 -10.936 1.875 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.581 -9.481 1.682 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.968 -11.524 3.056 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.973 -9.396 1.053 1.00 0.00 C ATOM 0 H ILE A 63 -9.036 -9.474 3.568 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.474 -12.023 2.516 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.437 -11.502 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.572 -8.962 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.852 -8.982 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.038 -11.459 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.687 -12.568 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.731 -10.964 3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.247 -8.350 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.967 -9.899 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.698 -9.878 1.708 1.00 0.00 H new ATOM 898 N HIS A 64 -7.625 -9.526 0.580 1.00 0.00 N ATOM 899 CA HIS A 64 -6.871 -9.189 -0.662 1.00 0.00 C ATOM 900 C HIS A 64 -5.425 -9.672 -0.529 1.00 0.00 C ATOM 901 O HIS A 64 -4.866 -10.234 -1.448 1.00 0.00 O ATOM 902 CB HIS A 64 -6.870 -7.678 -0.890 1.00 0.00 C ATOM 903 CG HIS A 64 -6.165 -7.389 -2.183 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.846 -7.053 -3.342 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.836 -7.412 -2.519 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.931 -6.893 -4.316 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.690 -7.101 -3.865 1.00 0.00 N ATOM 0 H HIS A 64 -7.867 -8.729 1.168 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.354 -9.680 -1.507 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.892 -7.300 -0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.370 -7.171 -0.065 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.856 -6.946 -3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.026 -7.637 -1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.170 -6.629 -5.336 1.00 0.00 H new ATOM 915 N ALA A 65 -4.819 -9.477 0.613 1.00 0.00 N ATOM 916 CA ALA A 65 -3.417 -9.955 0.790 1.00 0.00 C ATOM 917 C ALA A 65 -3.484 -11.459 1.003 1.00 0.00 C ATOM 918 O ALA A 65 -2.524 -12.183 0.861 1.00 0.00 O ATOM 919 CB ALA A 65 -2.788 -9.282 2.012 1.00 0.00 C ATOM 0 H ALA A 65 -5.230 -9.012 1.423 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.808 -9.712 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.764 -9.636 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.784 -8.201 1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.367 -9.529 2.902 1.00 0.00 H new ATOM 925 N GLN A 66 -4.642 -11.898 1.370 1.00 0.00 N ATOM 926 CA GLN A 66 -4.903 -13.331 1.644 1.00 0.00 C ATOM 927 C GLN A 66 -5.193 -14.085 0.341 1.00 0.00 C ATOM 928 O GLN A 66 -4.831 -15.234 0.181 1.00 0.00 O ATOM 929 CB GLN A 66 -6.147 -13.346 2.526 1.00 0.00 C ATOM 930 CG GLN A 66 -6.754 -14.748 2.653 1.00 0.00 C ATOM 931 CD GLN A 66 -6.368 -15.363 4.002 1.00 0.00 C ATOM 932 OE1 GLN A 66 -5.202 -15.463 4.326 1.00 0.00 O ATOM 933 NE2 GLN A 66 -7.308 -15.781 4.806 1.00 0.00 N ATOM 0 H GLN A 66 -5.456 -11.297 1.498 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.046 -13.812 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.891 -12.972 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.892 -12.666 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.839 -14.693 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.400 -15.382 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.287 -15.697 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.063 -16.192 5.707 1.00 0.00 H new ATOM 942 N ALA A 67 -5.873 -13.455 -0.575 1.00 0.00 N ATOM 943 CA ALA A 67 -6.228 -14.134 -1.852 1.00 0.00 C ATOM 944 C ALA A 67 -5.122 -13.929 -2.882 1.00 0.00 C ATOM 945 O ALA A 67 -4.726 -14.843 -3.579 1.00 0.00 O ATOM 946 CB ALA A 67 -7.540 -13.548 -2.385 1.00 0.00 C ATOM 0 H ALA A 67 -6.200 -12.492 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.346 -15.202 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.805 -14.041 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.333 -13.706 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.416 -12.479 -2.561 1.00 0.00 H new ATOM 952 N LYS A 68 -4.636 -12.729 -2.995 1.00 0.00 N ATOM 953 CA LYS A 68 -3.569 -12.442 -3.991 1.00 0.00 C ATOM 954 C LYS A 68 -2.203 -12.533 -3.318 1.00 0.00 C ATOM 955 O LYS A 68 -1.177 -12.298 -3.925 1.00 0.00 O ATOM 956 CB LYS A 68 -3.783 -11.042 -4.555 1.00 0.00 C ATOM 957 CG LYS A 68 -5.204 -10.940 -5.133 1.00 0.00 C ATOM 958 CD LYS A 68 -6.155 -10.352 -4.088 1.00 0.00 C ATOM 959 CE LYS A 68 -7.524 -10.108 -4.725 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.092 -11.403 -5.192 1.00 0.00 N ATOM 0 H LYS A 68 -4.933 -11.928 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.610 -13.170 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.642 -10.297 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.046 -10.833 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.198 -10.313 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.552 -11.926 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.251 -11.034 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.751 -9.417 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.195 -9.643 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.429 -9.417 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.105 -11.442 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.971 -11.484 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.597 -12.188 -4.723 1.00 0.00 H new ATOM 974 N LYS A 69 -2.190 -12.885 -2.068 1.00 0.00 N ATOM 975 CA LYS A 69 -0.904 -13.015 -1.332 1.00 0.00 C ATOM 976 C LYS A 69 -0.110 -11.705 -1.416 1.00 0.00 C ATOM 977 O LYS A 69 1.070 -11.670 -1.127 1.00 0.00 O ATOM 978 CB LYS A 69 -0.083 -14.162 -1.938 1.00 0.00 C ATOM 979 CG LYS A 69 -0.437 -15.485 -1.244 1.00 0.00 C ATOM 980 CD LYS A 69 -1.962 -15.650 -1.164 1.00 0.00 C ATOM 981 CE LYS A 69 -2.317 -17.139 -1.134 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.693 -17.774 0.061 1.00 0.00 N ATOM 0 H LYS A 69 -3.023 -13.091 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.112 -13.230 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.283 -14.238 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.982 -13.957 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.002 -16.320 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.009 -15.505 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.345 -15.157 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.435 -15.170 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.399 -17.265 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.965 -17.626 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.116 -18.711 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.670 -17.878 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.857 -17.177 0.897 1.00 0.00 H new ATOM 996 N HIS A 70 -0.745 -10.621 -1.777 1.00 0.00 N ATOM 997 CA HIS A 70 -0.011 -9.321 -1.837 1.00 0.00 C ATOM 998 C HIS A 70 0.155 -8.818 -0.400 1.00 0.00 C ATOM 999 O HIS A 70 -0.812 -8.622 0.308 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.807 -8.314 -2.673 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.819 -8.772 -4.108 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.846 -8.447 -4.982 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.066 -9.533 -4.838 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.556 -9.004 -6.174 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.406 -9.673 -6.136 1.00 0.00 N ATOM 0 H HIS A 70 -1.732 -10.578 -2.031 1.00 0.00 H new ATOM 0 HA HIS A 70 0.965 -9.446 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.826 -8.232 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.359 -7.323 -2.597 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -2.671 -7.888 -4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.985 -9.956 -4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.179 -8.918 -7.052 1.00 0.00 H new ATOM 1013 N ASN A 71 1.369 -8.651 0.056 1.00 0.00 N ATOM 1014 CA ASN A 71 1.574 -8.211 1.466 1.00 0.00 C ATOM 1015 C ASN A 71 1.625 -6.687 1.568 1.00 0.00 C ATOM 1016 O ASN A 71 1.121 -6.106 2.508 1.00 0.00 O ATOM 1017 CB ASN A 71 2.891 -8.795 1.978 1.00 0.00 C ATOM 1018 CG ASN A 71 3.943 -8.744 0.869 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.895 -7.994 0.951 1.00 0.00 O ATOM 1020 ND2 ASN A 71 3.812 -9.518 -0.174 1.00 0.00 N ATOM 0 H ASN A 71 2.222 -8.799 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 71 0.737 -8.565 2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.236 -8.233 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.741 -9.824 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.509 -9.492 -0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.013 -10.148 -0.244 1.00 0.00 H new ATOM 1027 N LEU A 72 2.260 -6.036 0.639 1.00 0.00 N ATOM 1028 CA LEU A 72 2.384 -4.554 0.726 1.00 0.00 C ATOM 1029 C LEU A 72 1.152 -3.826 0.193 1.00 0.00 C ATOM 1030 O LEU A 72 0.630 -4.118 -0.864 1.00 0.00 O ATOM 1031 CB LEU A 72 3.603 -4.113 -0.069 1.00 0.00 C ATOM 1032 CG LEU A 72 4.864 -4.621 0.628 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.045 -4.516 -0.332 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.146 -3.779 1.881 1.00 0.00 C ATOM 0 H LEU A 72 2.699 -6.463 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 72 2.484 -4.296 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.551 -4.504 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.628 -3.026 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 72 4.719 -5.660 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.948 -4.877 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.849 -5.120 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.184 -3.476 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.047 -4.148 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.290 -2.737 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.302 -3.854 2.567 1.00 0.00 H new ATOM 1046 N THR A 73 0.727 -2.840 0.931 1.00 0.00 N ATOM 1047 CA THR A 73 -0.432 -2.001 0.531 1.00 0.00 C ATOM 1048 C THR A 73 -0.200 -0.619 1.143 1.00 0.00 C ATOM 1049 O THR A 73 0.579 -0.487 2.063 1.00 0.00 O ATOM 1050 CB THR A 73 -1.735 -2.602 1.072 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.629 -1.553 1.418 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.439 -3.449 2.311 1.00 0.00 C ATOM 0 H THR A 73 1.149 -2.575 1.821 1.00 0.00 H new ATOM 0 HA THR A 73 -0.519 -1.945 -0.554 1.00 0.00 H new ATOM 0 HB THR A 73 -2.188 -3.232 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.895 -1.069 0.608 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.368 -3.874 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.754 -4.254 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.984 -2.823 3.079 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.835 0.413 0.658 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.577 1.764 1.253 1.00 0.00 C ATOM 1062 C VAL A 74 -1.867 2.373 1.798 1.00 0.00 C ATOM 1063 O VAL A 74 -2.863 2.496 1.114 1.00 0.00 O ATOM 1064 CB VAL A 74 0.033 2.683 0.190 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.737 2.533 -1.123 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.043 4.141 0.658 1.00 0.00 C ATOM 0 H VAL A 74 -1.508 0.387 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 74 0.122 1.654 2.082 1.00 0.00 H new ATOM 0 HB VAL A 74 1.076 2.406 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.301 3.188 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.679 1.499 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.781 2.805 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.392 4.790 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.085 4.418 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.510 4.253 1.591 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.833 2.757 3.048 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.025 3.366 3.693 1.00 0.00 C ATOM 1078 C ASN A 75 -3.117 4.836 3.298 1.00 0.00 C ATOM 1079 O ASN A 75 -2.489 5.691 3.890 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.880 3.258 5.212 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.225 3.541 5.878 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.189 3.863 5.214 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.333 3.437 7.175 1.00 0.00 N ATOM 0 H ASN A 75 -1.017 2.671 3.654 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.926 2.845 3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.531 2.262 5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.131 3.966 5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.227 3.626 7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.524 3.167 7.734 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.900 5.140 2.304 1.00 0.00 N ATOM 1091 CA LEU A 76 -4.038 6.554 1.871 1.00 0.00 C ATOM 1092 C LEU A 76 -4.668 7.352 3.007 1.00 0.00 C ATOM 1093 O LEU A 76 -4.955 8.526 2.881 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.914 6.599 0.616 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.464 5.478 -0.350 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.668 4.631 -0.772 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.799 6.075 -1.597 1.00 0.00 C ATOM 0 H LEU A 76 -4.452 4.467 1.771 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.067 6.989 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.963 6.468 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.828 7.571 0.131 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.742 4.849 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.339 3.845 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.123 4.181 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.399 5.264 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.489 5.271 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.508 6.722 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.926 6.657 -1.301 1.00 0.00 H new ATOM 1109 N THR A 77 -4.860 6.717 4.131 1.00 0.00 N ATOM 1110 CA THR A 77 -5.441 7.417 5.305 1.00 0.00 C ATOM 1111 C THR A 77 -4.300 8.013 6.122 1.00 0.00 C ATOM 1112 O THR A 77 -4.400 9.101 6.654 1.00 0.00 O ATOM 1113 CB THR A 77 -6.202 6.413 6.168 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.179 5.767 5.370 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.869 7.147 7.334 1.00 0.00 C ATOM 0 H THR A 77 -4.636 5.734 4.285 1.00 0.00 H new ATOM 0 HA THR A 77 -6.122 8.201 4.975 1.00 0.00 H new ATOM 0 HB THR A 77 -5.516 5.667 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.795 4.957 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.413 6.432 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.107 7.641 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.563 7.892 6.945 1.00 0.00 H new ATOM 1123 N THR A 78 -3.217 7.289 6.231 1.00 0.00 N ATOM 1124 CA THR A 78 -2.053 7.785 7.026 1.00 0.00 C ATOM 1125 C THR A 78 -0.838 8.042 6.121 1.00 0.00 C ATOM 1126 O THR A 78 0.094 8.718 6.511 1.00 0.00 O ATOM 1127 CB THR A 78 -1.688 6.738 8.086 1.00 0.00 C ATOM 1128 OG1 THR A 78 -1.945 5.440 7.570 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.529 6.962 9.346 1.00 0.00 C ATOM 0 H THR A 78 -3.087 6.372 5.803 1.00 0.00 H new ATOM 0 HA THR A 78 -2.330 8.725 7.503 1.00 0.00 H new ATOM 0 HB THR A 78 -0.632 6.831 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.333 4.879 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.266 6.216 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.334 7.959 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.587 6.871 9.098 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.839 7.526 4.924 1.00 0.00 N ATOM 1138 CA PHE A 79 0.317 7.760 4.002 1.00 0.00 C ATOM 1139 C PHE A 79 1.507 6.873 4.390 1.00 0.00 C ATOM 1140 O PHE A 79 2.635 7.320 4.452 1.00 0.00 O ATOM 1141 CB PHE A 79 0.734 9.237 4.052 1.00 0.00 C ATOM 1142 CG PHE A 79 1.308 9.650 2.717 1.00 0.00 C ATOM 1143 CD1 PHE A 79 2.697 9.722 2.546 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.454 9.958 1.652 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.230 10.103 1.308 1.00 0.00 C ATOM 1146 CE2 PHE A 79 0.987 10.340 0.415 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.376 10.412 0.243 1.00 0.00 C ATOM 0 H PHE A 79 -1.589 6.951 4.540 1.00 0.00 H new ATOM 0 HA PHE A 79 0.008 7.504 2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.127 9.860 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.472 9.390 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.356 9.484 3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.616 9.901 1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.300 10.158 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.328 10.579 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.787 10.706 -0.711 1.00 0.00 H new ATOM 1157 N ARG A 80 1.261 5.617 4.618 1.00 0.00 N ATOM 1158 CA ARG A 80 2.354 4.671 4.966 1.00 0.00 C ATOM 1159 C ARG A 80 2.015 3.337 4.311 1.00 0.00 C ATOM 1160 O ARG A 80 1.009 3.209 3.644 1.00 0.00 O ATOM 1161 CB ARG A 80 2.470 4.492 6.488 1.00 0.00 C ATOM 1162 CG ARG A 80 1.206 5.001 7.196 1.00 0.00 C ATOM 1163 CD ARG A 80 1.017 4.235 8.512 1.00 0.00 C ATOM 1164 NE ARG A 80 0.247 5.069 9.478 1.00 0.00 N ATOM 1165 CZ ARG A 80 0.867 5.917 10.255 1.00 0.00 C ATOM 1166 NH1 ARG A 80 0.187 6.645 11.099 1.00 0.00 N ATOM 1167 NH2 ARG A 80 2.164 6.040 10.187 1.00 0.00 N ATOM 0 H ARG A 80 0.332 5.198 4.577 1.00 0.00 H new ATOM 0 HA ARG A 80 3.310 5.056 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.625 3.439 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.341 5.033 6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.291 6.070 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.336 4.864 6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.490 3.299 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.988 3.976 8.935 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.767 4.977 9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.827 6.551 11.151 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.670 7.307 11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.696 5.474 9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.646 6.703 10.794 1.00 0.00 H new ATOM 1181 N LEU A 81 2.834 2.348 4.485 1.00 0.00 N ATOM 1182 CA LEU A 81 2.546 1.030 3.859 1.00 0.00 C ATOM 1183 C LEU A 81 2.231 0.007 4.941 1.00 0.00 C ATOM 1184 O LEU A 81 2.269 0.291 6.120 1.00 0.00 O ATOM 1185 CB LEU A 81 3.767 0.575 3.053 1.00 0.00 C ATOM 1186 CG LEU A 81 3.616 0.986 1.583 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.998 1.278 0.990 1.00 0.00 C ATOM 1188 CD2 LEU A 81 2.936 -0.138 0.777 1.00 0.00 C ATOM 0 H LEU A 81 3.693 2.391 5.034 1.00 0.00 H new ATOM 0 HA LEU A 81 1.687 1.121 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.672 1.016 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.877 -0.507 3.126 1.00 0.00 H new ATOM 0 HG LEU A 81 2.996 1.881 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.891 1.570 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.469 2.088 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.618 0.384 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.836 0.170 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.542 -1.043 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.948 -0.337 1.192 1.00 0.00 H new ATOM 1200 N TRP A 82 1.926 -1.184 4.532 1.00 0.00 N ATOM 1201 CA TRP A 82 1.607 -2.258 5.503 1.00 0.00 C ATOM 1202 C TRP A 82 1.885 -3.595 4.829 1.00 0.00 C ATOM 1203 O TRP A 82 1.210 -3.986 3.897 1.00 0.00 O ATOM 1204 CB TRP A 82 0.137 -2.164 5.907 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.112 -2.994 7.128 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.567 -2.891 8.294 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.102 -4.047 7.324 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.061 -3.814 9.190 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.970 -4.550 8.639 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.090 -4.607 6.495 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.789 -5.574 9.116 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.916 -5.638 6.972 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.765 -6.120 8.280 1.00 0.00 C ATOM 0 H TRP A 82 1.883 -1.465 3.552 1.00 0.00 H new ATOM 0 HA TRP A 82 2.216 -2.159 6.401 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.129 -1.125 6.103 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.496 -2.507 5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.373 -2.200 8.492 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.407 -3.937 10.142 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.214 -4.242 5.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.669 -5.942 10.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.672 -6.062 6.328 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.403 -6.913 8.641 1.00 0.00 H new ATOM 1224 N CYS A 83 2.893 -4.287 5.272 1.00 0.00 N ATOM 1225 CA CYS A 83 3.238 -5.582 4.644 1.00 0.00 C ATOM 1226 C CYS A 83 2.556 -6.721 5.383 1.00 0.00 C ATOM 1227 O CYS A 83 2.919 -7.038 6.488 1.00 0.00 O ATOM 1228 CB CYS A 83 4.751 -5.783 4.726 1.00 0.00 C ATOM 1229 SG CYS A 83 5.322 -6.635 3.241 1.00 0.00 S ATOM 0 H CYS A 83 3.495 -4.007 6.047 1.00 0.00 H new ATOM 0 HA CYS A 83 2.906 -5.575 3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.252 -4.820 4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.005 -6.364 5.613 1.00 0.00 H new ATOM 0 HG CYS A 83 4.343 -6.730 2.391 1.00 0.00 H new ATOM 1234 N TYR A 84 1.600 -7.369 4.783 1.00 0.00 N ATOM 1235 CA TYR A 84 0.966 -8.512 5.487 1.00 0.00 C ATOM 1236 C TYR A 84 2.003 -9.630 5.529 1.00 0.00 C ATOM 1237 O TYR A 84 1.766 -10.709 6.038 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.292 -8.977 4.739 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.172 -9.768 5.676 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.177 -11.167 5.619 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.984 -9.104 6.603 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.994 -11.901 6.488 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.800 -9.837 7.472 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.806 -11.235 7.414 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.612 -11.957 8.270 1.00 0.00 O ATOM 0 H TYR A 84 1.236 -7.162 3.853 1.00 0.00 H new ATOM 0 HA TYR A 84 0.656 -8.226 6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.837 -8.116 4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.013 -9.589 3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.551 -11.680 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.981 -8.025 6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.998 -12.980 6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.425 -9.324 8.188 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.109 -11.342 8.848 1.00 0.00 H new ATOM 1255 N ALA A 85 3.178 -9.348 5.018 1.00 0.00 N ATOM 1256 CA ALA A 85 4.277 -10.345 5.040 1.00 0.00 C ATOM 1257 C ALA A 85 5.184 -9.967 6.206 1.00 0.00 C ATOM 1258 O ALA A 85 5.185 -10.610 7.238 1.00 0.00 O ATOM 1259 CB ALA A 85 5.072 -10.301 3.732 1.00 0.00 C ATOM 0 H ALA A 85 3.418 -8.457 4.583 1.00 0.00 H new ATOM 0 HA ALA A 85 3.880 -11.354 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.873 -11.039 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.410 -10.525 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.500 -9.307 3.600 1.00 0.00 H new ATOM 1265 N CYS A 86 5.916 -8.886 6.079 1.00 0.00 N ATOM 1266 CA CYS A 86 6.753 -8.441 7.211 1.00 0.00 C ATOM 1267 C CYS A 86 5.779 -8.101 8.328 1.00 0.00 C ATOM 1268 O CYS A 86 6.140 -7.922 9.475 1.00 0.00 O ATOM 1269 CB CYS A 86 7.551 -7.194 6.811 1.00 0.00 C ATOM 1270 SG CYS A 86 8.480 -7.528 5.294 1.00 0.00 S ATOM 0 H CYS A 86 5.963 -8.304 5.243 1.00 0.00 H new ATOM 0 HA CYS A 86 7.468 -9.206 7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.876 -6.352 6.658 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.234 -6.914 7.613 1.00 0.00 H new ATOM 0 HG CYS A 86 8.355 -6.523 4.478 1.00 0.00 H new ATOM 1275 N GLU A 87 4.526 -8.025 7.968 1.00 0.00 N ATOM 1276 CA GLU A 87 3.461 -7.712 8.951 1.00 0.00 C ATOM 1277 C GLU A 87 3.869 -6.486 9.773 1.00 0.00 C ATOM 1278 O GLU A 87 4.040 -6.548 10.976 1.00 0.00 O ATOM 1279 CB GLU A 87 3.243 -8.941 9.835 1.00 0.00 C ATOM 1280 CG GLU A 87 1.809 -9.457 9.673 1.00 0.00 C ATOM 1281 CD GLU A 87 0.839 -8.496 10.363 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.300 -7.494 10.885 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.348 -8.777 10.357 1.00 0.00 O ATOM 0 H GLU A 87 4.194 -8.170 7.014 1.00 0.00 H new ATOM 0 HA GLU A 87 2.524 -7.474 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.952 -9.723 9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.431 -8.687 10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.560 -9.544 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.719 -10.454 10.105 1.00 0.00 H new ATOM 1290 N LYS A 88 4.015 -5.367 9.118 1.00 0.00 N ATOM 1291 CA LYS A 88 4.402 -4.117 9.834 1.00 0.00 C ATOM 1292 C LYS A 88 4.043 -2.915 8.958 1.00 0.00 C ATOM 1293 O LYS A 88 3.473 -3.063 7.899 1.00 0.00 O ATOM 1294 CB LYS A 88 5.907 -4.124 10.105 1.00 0.00 C ATOM 1295 CG LYS A 88 6.639 -4.636 8.866 1.00 0.00 C ATOM 1296 CD LYS A 88 8.142 -4.382 9.013 1.00 0.00 C ATOM 1297 CE LYS A 88 8.705 -5.224 10.166 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.675 -4.424 11.424 1.00 0.00 N ATOM 0 H LYS A 88 3.882 -5.264 8.112 1.00 0.00 H new ATOM 0 HA LYS A 88 3.870 -4.055 10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.248 -3.119 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.131 -4.759 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.452 -5.702 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.261 -4.134 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.654 -4.633 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.324 -3.324 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.118 -6.134 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.726 -5.531 9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.648 -4.222 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.173 -3.529 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.183 -4.962 12.166 1.00 0.00 H new ATOM 1312 N GLU A 89 4.376 -1.728 9.393 1.00 0.00 N ATOM 1313 CA GLU A 89 4.057 -0.507 8.590 1.00 0.00 C ATOM 1314 C GLU A 89 5.361 0.083 8.043 1.00 0.00 C ATOM 1315 O GLU A 89 6.383 0.044 8.699 1.00 0.00 O ATOM 1316 CB GLU A 89 3.356 0.519 9.498 1.00 0.00 C ATOM 1317 CG GLU A 89 2.021 0.957 8.877 1.00 0.00 C ATOM 1318 CD GLU A 89 1.079 1.443 9.982 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.122 1.346 9.793 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.576 1.904 10.996 1.00 0.00 O ATOM 0 H GLU A 89 4.858 -1.549 10.274 1.00 0.00 H new ATOM 0 HA GLU A 89 3.400 -0.761 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.182 0.084 10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.000 1.387 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.189 1.753 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.568 0.125 8.338 1.00 0.00 H new ATOM 1327 N VAL A 90 5.349 0.622 6.848 1.00 0.00 N ATOM 1328 CA VAL A 90 6.615 1.191 6.298 1.00 0.00 C ATOM 1329 C VAL A 90 6.304 2.350 5.343 1.00 0.00 C ATOM 1330 O VAL A 90 5.305 2.363 4.667 1.00 0.00 O ATOM 1331 CB VAL A 90 7.387 0.086 5.550 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.495 -0.471 6.449 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.426 -1.049 5.178 1.00 0.00 C ATOM 0 H VAL A 90 4.533 0.691 6.241 1.00 0.00 H new ATOM 0 HA VAL A 90 7.225 1.570 7.118 1.00 0.00 H new ATOM 0 HB VAL A 90 7.827 0.508 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.038 -1.252 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.183 0.331 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.054 -0.889 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.973 -1.830 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.986 -1.465 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.636 -0.661 4.536 1.00 0.00 H new ATOM 1343 N PHE A 91 7.168 3.320 5.285 1.00 0.00 N ATOM 1344 CA PHE A 91 6.950 4.480 4.373 1.00 0.00 C ATOM 1345 C PHE A 91 7.838 4.315 3.155 1.00 0.00 C ATOM 1346 O PHE A 91 8.727 3.488 3.134 1.00 0.00 O ATOM 1347 CB PHE A 91 7.370 5.776 5.059 1.00 0.00 C ATOM 1348 CG PHE A 91 6.519 6.013 6.283 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.747 5.274 7.449 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.505 6.979 6.253 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.961 5.498 8.585 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.720 7.203 7.390 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.948 6.463 8.556 1.00 0.00 C ATOM 0 H PHE A 91 8.026 3.362 5.835 1.00 0.00 H new ATOM 0 HA PHE A 91 5.895 4.519 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.421 5.723 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.268 6.612 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.530 4.530 7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.329 7.550 5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.136 4.926 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.938 7.947 7.368 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.342 6.637 9.433 1.00 0.00 H new