USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=27 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 8 CYS SG : rot 151:sc= -3.12 USER MOD Set 1.2: A 10 HIS : no HD1:sc= -3.29! C(o=-21!,f=-27!) USER MOD Set 1.3: A 71 ASN : amide:sc= -5.39! C(o=-21!,f=-21!) USER MOD Set 1.4: A 83 CYS SG : rot -160:sc= -3.74 USER MOD Set 1.5: A 86 CYS SG : rot 130:sc= -5.91! USER MOD Set 2.1: A 43 CYS SG : rot -160:sc= -1.85 USER MOD Set 2.2: A 45 GLN : amide:sc= -4.62 K(o=-13,f=-14) USER MOD Set 2.3: A 48 CYS SG : rot -62:sc= 0.181 USER MOD Set 2.4: A 64 HIS : no HD1:sc= -2.48 K(o=-13,f=-20) USER MOD Set 2.5: A 68 LYS NZ :NH3+ -177:sc= 0.0801 (180deg=-0.784) USER MOD Set 2.6: A 70 HIS : no HD1:sc= -4.44 K(o=-13,f=-13) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 73 THR OG1 : rot 122:sc= 1.36 USER MOD Set 4.1: A 39 ASN : amide:sc= -0.568 K(o=-2.2,f=-7.4!) USER MOD Set 4.2: A 56 SER OG : rot -159:sc= -1.66! USER MOD Set 5.1: A 30 CYS SG : rot -154:sc= -0.901! USER MOD Set 5.2: A 33 CYS SG : rot -147:sc= 0.475 USER MOD Set 5.3: A 53 CYS SG : rot -117:sc= 1.67 USER MOD Set 5.4: A 60 HIS : no HE2:sc= -4.83! K(o=-3.6!,f=-1.4) USER MOD Set 6.1: A 31 GLN : amide:sc= -9.27! C(o=-11!,f=-13!) USER MOD Set 6.2: A 32 SER OG : rot 83:sc= -1.58! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0.924 (180deg=0.0467!) USER MOD Single : A 26 SER OG : rot -49:sc= -0.635 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 89:sc= -1.02! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -75:sc= 0.652 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= 1.12 (180deg=-0.0213) USER MOD Single : A 75 ASN : amide:sc= -8.99! C(o=-9!,f=-9.5!) USER MOD Single : A 77 THR OG1 : rot -36:sc= -6.16! USER MOD Single : A 78 THR OG1 : rot -110:sc= -2.79! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -127:sc= -1.4 (180deg=-3.97!) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.566 0.880 4.642 1.00 0.00 N ATOM 85 CA LEU A 7 12.334 0.040 3.432 1.00 0.00 C ATOM 86 C LEU A 7 11.976 -1.390 3.857 1.00 0.00 C ATOM 87 O LEU A 7 12.283 -1.818 4.951 1.00 0.00 O ATOM 88 CB LEU A 7 13.601 0.078 2.541 1.00 0.00 C ATOM 89 CG LEU A 7 14.498 -1.170 2.714 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.768 -1.456 4.201 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.851 -2.397 2.044 1.00 0.00 C ATOM 0 HA LEU A 7 11.497 0.429 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.302 0.162 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.180 0.971 2.779 1.00 0.00 H new ATOM 0 HG LEU A 7 15.452 -0.967 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.401 -2.339 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.271 -0.600 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.823 -1.632 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.496 -3.266 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.881 -2.592 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.717 -2.202 0.980 1.00 0.00 H new ATOM 103 N CYS A 8 11.321 -2.127 2.996 1.00 0.00 N ATOM 104 CA CYS A 8 10.934 -3.533 3.331 1.00 0.00 C ATOM 105 C CYS A 8 11.441 -4.464 2.219 1.00 0.00 C ATOM 106 O CYS A 8 11.709 -4.033 1.118 1.00 0.00 O ATOM 107 CB CYS A 8 9.400 -3.644 3.466 1.00 0.00 C ATOM 108 SG CYS A 8 8.756 -4.896 2.314 1.00 0.00 S ATOM 0 H CYS A 8 11.035 -1.813 2.068 1.00 0.00 H new ATOM 0 HA CYS A 8 11.382 -3.822 4.282 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.136 -3.911 4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.939 -2.678 3.260 1.00 0.00 H new ATOM 0 HG CYS A 8 7.676 -5.425 2.808 1.00 0.00 H new ATOM 113 N PRO A 9 11.581 -5.726 2.514 1.00 0.00 N ATOM 114 CA PRO A 9 12.076 -6.749 1.535 1.00 0.00 C ATOM 115 C PRO A 9 11.231 -6.788 0.259 1.00 0.00 C ATOM 116 O PRO A 9 11.731 -6.661 -0.841 1.00 0.00 O ATOM 117 CB PRO A 9 11.934 -8.076 2.301 1.00 0.00 C ATOM 118 CG PRO A 9 10.982 -7.778 3.409 1.00 0.00 C ATOM 119 CD PRO A 9 11.273 -6.340 3.807 1.00 0.00 C ATOM 0 HA PRO A 9 13.092 -6.534 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.553 -8.867 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.896 -8.415 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.949 -7.895 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.130 -8.457 4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.417 -5.868 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.110 -6.270 4.502 1.00 0.00 H new ATOM 127 N HIS A 10 9.953 -6.973 0.412 1.00 0.00 N ATOM 128 CA HIS A 10 9.048 -7.035 -0.776 1.00 0.00 C ATOM 129 C HIS A 10 8.881 -5.635 -1.356 1.00 0.00 C ATOM 130 O HIS A 10 8.162 -5.425 -2.312 1.00 0.00 O ATOM 131 CB HIS A 10 7.679 -7.592 -0.362 1.00 0.00 C ATOM 132 CG HIS A 10 7.872 -8.683 0.652 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.059 -8.423 2.008 1.00 0.00 N ATOM 134 CD2 HIS A 10 7.920 -10.050 0.519 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.211 -9.614 2.621 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.134 -10.629 1.761 1.00 0.00 N ATOM 0 H HIS A 10 9.489 -7.085 1.313 1.00 0.00 H new ATOM 0 HA HIS A 10 9.484 -7.692 -1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.061 -6.797 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.153 -7.980 -1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.808 -10.590 -0.410 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.375 -9.731 3.682 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.215 -11.624 1.972 1.00 0.00 H new ATOM 144 N LEU A 11 9.545 -4.677 -0.782 1.00 0.00 N ATOM 145 CA LEU A 11 9.441 -3.284 -1.286 1.00 0.00 C ATOM 146 C LEU A 11 10.170 -3.179 -2.628 1.00 0.00 C ATOM 147 O LEU A 11 9.791 -2.417 -3.494 1.00 0.00 O ATOM 148 CB LEU A 11 10.083 -2.350 -0.260 1.00 0.00 C ATOM 149 CG LEU A 11 9.650 -0.896 -0.510 1.00 0.00 C ATOM 150 CD1 LEU A 11 10.050 -0.035 0.689 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.325 -0.344 -1.779 1.00 0.00 C ATOM 0 H LEU A 11 10.161 -4.800 0.022 1.00 0.00 H new ATOM 0 HA LEU A 11 8.397 -3.005 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.795 -2.653 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.169 -2.427 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 11 8.569 -0.869 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.744 0.997 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.560 -0.412 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.131 -0.075 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.008 0.686 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.408 -0.375 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.038 -0.952 -2.637 1.00 0.00 H new ATOM 163 N ASP A 12 11.209 -3.943 -2.813 1.00 0.00 N ATOM 164 CA ASP A 12 11.955 -3.886 -4.102 1.00 0.00 C ATOM 165 C ASP A 12 11.240 -4.743 -5.148 1.00 0.00 C ATOM 166 O ASP A 12 11.421 -4.569 -6.337 1.00 0.00 O ATOM 167 CB ASP A 12 13.370 -4.423 -3.890 1.00 0.00 C ATOM 168 CG ASP A 12 14.128 -4.404 -5.219 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.675 -5.433 -5.580 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.147 -3.362 -5.852 1.00 0.00 O ATOM 0 H ASP A 12 11.575 -4.605 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 12 12.001 -2.854 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.894 -3.816 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.330 -5.439 -3.497 1.00 0.00 H new ATOM 175 N SER A 13 10.437 -5.679 -4.717 1.00 0.00 N ATOM 176 CA SER A 13 9.721 -6.556 -5.688 1.00 0.00 C ATOM 177 C SER A 13 8.447 -5.865 -6.191 1.00 0.00 C ATOM 178 O SER A 13 7.897 -6.231 -7.210 1.00 0.00 O ATOM 179 CB SER A 13 9.346 -7.870 -5.000 1.00 0.00 C ATOM 180 OG SER A 13 9.042 -8.847 -5.988 1.00 0.00 O ATOM 0 H SER A 13 10.246 -5.874 -3.734 1.00 0.00 H new ATOM 0 HA SER A 13 10.375 -6.753 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.169 -8.214 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.488 -7.719 -4.345 1.00 0.00 H new ATOM 0 HG SER A 13 8.803 -9.691 -5.551 1.00 0.00 H new ATOM 186 N ILE A 14 7.968 -4.876 -5.485 1.00 0.00 N ATOM 187 CA ILE A 14 6.723 -4.176 -5.929 1.00 0.00 C ATOM 188 C ILE A 14 7.083 -2.958 -6.790 1.00 0.00 C ATOM 189 O ILE A 14 6.223 -2.214 -7.216 1.00 0.00 O ATOM 190 CB ILE A 14 5.921 -3.725 -4.705 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.827 -2.971 -3.725 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.331 -4.951 -4.000 1.00 0.00 C ATOM 193 CD1 ILE A 14 7.173 -1.586 -4.277 1.00 0.00 C ATOM 0 H ILE A 14 8.382 -4.522 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 14 6.121 -4.864 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 14 5.120 -3.063 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.328 -2.871 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.741 -3.540 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.760 -4.630 -3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.675 -5.485 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.138 -5.611 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.817 -1.063 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.692 -1.693 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.257 -1.014 -4.425 1.00 0.00 H new ATOM 205 N GLY A 15 8.347 -2.758 -7.060 1.00 0.00 N ATOM 206 CA GLY A 15 8.769 -1.599 -7.907 1.00 0.00 C ATOM 207 C GLY A 15 7.977 -0.341 -7.535 1.00 0.00 C ATOM 208 O GLY A 15 7.698 -0.088 -6.381 1.00 0.00 O ATOM 0 H GLY A 15 9.109 -3.349 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.835 -1.416 -7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.613 -1.835 -8.960 1.00 0.00 H new ATOM 212 N GLU A 16 7.616 0.458 -8.507 1.00 0.00 N ATOM 213 CA GLU A 16 6.845 1.702 -8.211 1.00 0.00 C ATOM 214 C GLU A 16 5.771 1.908 -9.282 1.00 0.00 C ATOM 215 O GLU A 16 6.065 2.132 -10.439 1.00 0.00 O ATOM 216 CB GLU A 16 7.801 2.907 -8.194 1.00 0.00 C ATOM 217 CG GLU A 16 7.011 4.218 -8.360 1.00 0.00 C ATOM 218 CD GLU A 16 6.865 4.561 -9.848 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.097 5.458 -10.154 1.00 0.00 O ATOM 220 OE2 GLU A 16 7.526 3.927 -10.654 1.00 0.00 O ATOM 0 H GLU A 16 7.822 0.302 -9.494 1.00 0.00 H new ATOM 0 HA GLU A 16 6.366 1.609 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.357 2.926 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.532 2.811 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.026 4.118 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.523 5.028 -7.841 1.00 0.00 H new ATOM 227 N VAL A 17 4.524 1.843 -8.901 1.00 0.00 N ATOM 228 CA VAL A 17 3.428 2.047 -9.890 1.00 0.00 C ATOM 229 C VAL A 17 3.276 3.545 -10.153 1.00 0.00 C ATOM 230 O VAL A 17 4.084 4.341 -9.717 1.00 0.00 O ATOM 231 CB VAL A 17 2.120 1.490 -9.326 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.265 -0.015 -9.090 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.803 2.183 -7.999 1.00 0.00 C ATOM 0 H VAL A 17 4.217 1.657 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 17 3.665 1.529 -10.820 1.00 0.00 H new ATOM 0 HB VAL A 17 1.313 1.671 -10.035 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.333 -0.412 -8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.494 -0.511 -10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.072 -0.196 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.871 1.787 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.611 2.001 -7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.700 3.256 -8.164 1.00 0.00 H new ATOM 243 N THR A 18 2.251 3.946 -10.852 1.00 0.00 N ATOM 244 CA THR A 18 2.072 5.400 -11.121 1.00 0.00 C ATOM 245 C THR A 18 1.833 6.115 -9.791 1.00 0.00 C ATOM 246 O THR A 18 1.015 5.707 -8.995 1.00 0.00 O ATOM 247 CB THR A 18 0.865 5.604 -12.052 1.00 0.00 C ATOM 248 OG1 THR A 18 0.227 4.354 -12.273 1.00 0.00 O ATOM 249 CG2 THR A 18 1.332 6.177 -13.393 1.00 0.00 C ATOM 0 H THR A 18 1.535 3.336 -11.246 1.00 0.00 H new ATOM 0 HA THR A 18 2.961 5.807 -11.603 1.00 0.00 H new ATOM 0 HB THR A 18 0.166 6.300 -11.588 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.544 4.480 -12.865 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.472 6.319 -14.047 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.824 7.135 -13.228 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.033 5.485 -13.860 1.00 0.00 H new ATOM 257 N LYS A 19 2.533 7.184 -9.549 1.00 0.00 N ATOM 258 CA LYS A 19 2.327 7.923 -8.274 1.00 0.00 C ATOM 259 C LYS A 19 0.857 8.306 -8.223 1.00 0.00 C ATOM 260 O LYS A 19 0.138 7.953 -7.311 1.00 0.00 O ATOM 261 CB LYS A 19 3.214 9.179 -8.237 1.00 0.00 C ATOM 262 CG LYS A 19 4.185 9.165 -9.427 1.00 0.00 C ATOM 263 CD LYS A 19 5.474 9.913 -9.062 1.00 0.00 C ATOM 264 CE LYS A 19 6.479 8.931 -8.449 1.00 0.00 C ATOM 265 NZ LYS A 19 7.572 9.691 -7.778 1.00 0.00 N ATOM 0 H LYS A 19 3.236 7.578 -10.175 1.00 0.00 H new ATOM 0 HA LYS A 19 2.598 7.309 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.594 10.075 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.772 9.214 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.418 8.137 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.717 9.631 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.900 10.379 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.255 10.714 -8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.978 8.283 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.893 8.287 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.254 9.025 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.056 10.291 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.170 10.288 -7.027 1.00 0.00 H new ATOM 279 N GLU A 20 0.400 8.992 -9.233 1.00 0.00 N ATOM 280 CA GLU A 20 -1.029 9.363 -9.294 1.00 0.00 C ATOM 281 C GLU A 20 -1.844 8.129 -8.926 1.00 0.00 C ATOM 282 O GLU A 20 -2.878 8.216 -8.306 1.00 0.00 O ATOM 283 CB GLU A 20 -1.374 9.824 -10.707 1.00 0.00 C ATOM 284 CG GLU A 20 -2.892 9.825 -10.906 1.00 0.00 C ATOM 285 CD GLU A 20 -3.216 10.139 -12.368 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.933 9.304 -13.211 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.742 11.211 -12.619 1.00 0.00 O ATOM 0 H GLU A 20 0.964 9.311 -10.021 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.250 10.177 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.977 10.824 -10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.904 9.165 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.306 8.855 -10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.354 10.565 -10.253 1.00 0.00 H new ATOM 294 N ASP A 21 -1.370 6.968 -9.288 1.00 0.00 N ATOM 295 CA ASP A 21 -2.120 5.734 -8.929 1.00 0.00 C ATOM 296 C ASP A 21 -2.375 5.769 -7.427 1.00 0.00 C ATOM 297 O ASP A 21 -3.442 5.439 -6.954 1.00 0.00 O ATOM 298 CB ASP A 21 -1.297 4.490 -9.295 1.00 0.00 C ATOM 299 CG ASP A 21 -2.237 3.309 -9.549 1.00 0.00 C ATOM 300 OD1 ASP A 21 -1.945 2.230 -9.059 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.229 3.503 -10.231 1.00 0.00 O ATOM 0 H ASP A 21 -0.506 6.822 -9.811 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.062 5.688 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.696 4.687 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.604 4.250 -8.488 1.00 0.00 H new ATOM 306 N LEU A 22 -1.401 6.204 -6.678 1.00 0.00 N ATOM 307 CA LEU A 22 -1.578 6.299 -5.205 1.00 0.00 C ATOM 308 C LEU A 22 -2.487 7.482 -4.912 1.00 0.00 C ATOM 309 O LEU A 22 -3.107 7.573 -3.871 1.00 0.00 O ATOM 310 CB LEU A 22 -0.217 6.505 -4.531 1.00 0.00 C ATOM 311 CG LEU A 22 0.839 5.656 -5.241 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.163 5.746 -4.480 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.377 4.198 -5.284 1.00 0.00 C ATOM 0 H LEU A 22 -0.488 6.498 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.021 5.381 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.063 7.558 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.275 6.227 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 22 0.977 6.025 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.915 5.141 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.494 6.784 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.024 5.377 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.129 3.593 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.239 3.830 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.567 4.131 -5.825 1.00 0.00 H new ATOM 325 N LEU A 23 -2.570 8.388 -5.838 1.00 0.00 N ATOM 326 CA LEU A 23 -3.435 9.576 -5.655 1.00 0.00 C ATOM 327 C LEU A 23 -4.884 9.185 -5.960 1.00 0.00 C ATOM 328 O LEU A 23 -5.753 9.338 -5.124 1.00 0.00 O ATOM 329 CB LEU A 23 -2.940 10.672 -6.603 1.00 0.00 C ATOM 330 CG LEU A 23 -1.434 10.903 -6.368 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.980 12.159 -7.128 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.160 11.097 -4.870 1.00 0.00 C ATOM 0 H LEU A 23 -2.068 8.355 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.393 9.948 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.118 10.382 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.493 11.595 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.883 10.034 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.085 12.321 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.164 12.025 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.539 13.023 -6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.094 11.260 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.716 11.962 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.476 10.208 -4.324 1.00 0.00 H new ATOM 344 N LEU A 24 -5.163 8.648 -7.121 1.00 0.00 N ATOM 345 CA LEU A 24 -6.565 8.234 -7.386 1.00 0.00 C ATOM 346 C LEU A 24 -6.941 7.197 -6.345 1.00 0.00 C ATOM 347 O LEU A 24 -8.001 7.255 -5.779 1.00 0.00 O ATOM 348 CB LEU A 24 -6.732 7.648 -8.795 1.00 0.00 C ATOM 349 CG LEU A 24 -5.919 6.354 -8.963 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.811 5.133 -8.704 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.392 6.276 -10.399 1.00 0.00 C ATOM 0 H LEU A 24 -4.497 8.483 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.216 9.106 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.786 7.445 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.411 8.380 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.093 6.360 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.225 4.222 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.204 5.179 -7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.638 5.130 -9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.814 5.360 -10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.231 6.275 -11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.755 7.137 -10.600 1.00 0.00 H new ATOM 363 N LYS A 25 -6.069 6.262 -6.059 1.00 0.00 N ATOM 364 CA LYS A 25 -6.404 5.254 -5.017 1.00 0.00 C ATOM 365 C LYS A 25 -6.938 6.014 -3.801 1.00 0.00 C ATOM 366 O LYS A 25 -7.920 5.641 -3.193 1.00 0.00 O ATOM 367 CB LYS A 25 -5.143 4.466 -4.641 1.00 0.00 C ATOM 368 CG LYS A 25 -4.885 3.376 -5.691 1.00 0.00 C ATOM 369 CD LYS A 25 -3.449 2.855 -5.561 1.00 0.00 C ATOM 370 CE LYS A 25 -3.322 1.515 -6.289 1.00 0.00 C ATOM 371 NZ LYS A 25 -1.969 0.942 -6.041 1.00 0.00 N ATOM 0 H LYS A 25 -5.154 6.157 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.151 4.548 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.287 5.138 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.264 4.015 -3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.592 2.557 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.046 3.777 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.750 3.577 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.188 2.735 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.090 0.825 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.480 1.654 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.616 0.496 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.319 1.700 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.027 0.229 -5.286 1.00 0.00 H new ATOM 385 N SER A 26 -6.300 7.105 -3.477 1.00 0.00 N ATOM 386 CA SER A 26 -6.750 7.946 -2.337 1.00 0.00 C ATOM 387 C SER A 26 -8.046 8.662 -2.739 1.00 0.00 C ATOM 388 O SER A 26 -8.481 9.590 -2.087 1.00 0.00 O ATOM 389 CB SER A 26 -5.669 8.992 -2.037 1.00 0.00 C ATOM 390 OG SER A 26 -5.818 9.454 -0.702 1.00 0.00 O ATOM 0 H SER A 26 -5.473 7.453 -3.963 1.00 0.00 H new ATOM 0 HA SER A 26 -6.922 7.329 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.679 8.558 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.751 9.826 -2.734 1.00 0.00 H new ATOM 0 HG SER A 26 -6.754 9.694 -0.542 1.00 0.00 H new ATOM 396 N LYS A 27 -8.642 8.267 -3.837 1.00 0.00 N ATOM 397 CA LYS A 27 -9.878 8.958 -4.307 1.00 0.00 C ATOM 398 C LYS A 27 -10.878 9.126 -3.157 1.00 0.00 C ATOM 399 O LYS A 27 -11.370 10.212 -2.929 1.00 0.00 O ATOM 400 CB LYS A 27 -10.532 8.183 -5.466 1.00 0.00 C ATOM 401 CG LYS A 27 -10.400 6.663 -5.259 1.00 0.00 C ATOM 402 CD LYS A 27 -11.673 5.965 -5.741 1.00 0.00 C ATOM 403 CE LYS A 27 -11.806 6.157 -7.254 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.030 5.459 -7.739 1.00 0.00 N ATOM 0 H LYS A 27 -8.325 7.497 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.591 9.946 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.585 8.453 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.063 8.467 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.537 6.285 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.230 6.443 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.635 4.903 -5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.544 6.377 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.862 7.219 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.925 5.762 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.120 5.590 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.959 4.444 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.867 5.856 -7.265 1.00 0.00 H new ATOM 418 N GLY A 28 -11.182 8.089 -2.415 1.00 0.00 N ATOM 419 CA GLY A 28 -12.141 8.268 -1.290 1.00 0.00 C ATOM 420 C GLY A 28 -13.053 7.053 -1.150 1.00 0.00 C ATOM 421 O GLY A 28 -13.988 7.072 -0.380 1.00 0.00 O ATOM 0 H GLY A 28 -10.814 7.146 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.592 8.424 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.743 9.161 -1.459 1.00 0.00 H new ATOM 425 N THR A 29 -12.812 5.998 -1.881 1.00 0.00 N ATOM 426 CA THR A 29 -13.707 4.812 -1.756 1.00 0.00 C ATOM 427 C THR A 29 -12.983 3.522 -2.157 1.00 0.00 C ATOM 428 O THR A 29 -12.212 3.494 -3.097 1.00 0.00 O ATOM 429 CB THR A 29 -14.914 4.977 -2.684 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.579 4.493 -3.977 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.330 6.446 -2.786 1.00 0.00 C ATOM 0 H THR A 29 -12.047 5.906 -2.549 1.00 0.00 H new ATOM 0 HA THR A 29 -14.019 4.745 -0.714 1.00 0.00 H new ATOM 0 HB THR A 29 -15.749 4.409 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.349 4.595 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.189 6.536 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.596 6.818 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.501 7.032 -3.183 1.00 0.00 H new ATOM 439 N CYS A 30 -13.268 2.444 -1.474 1.00 0.00 N ATOM 440 CA CYS A 30 -12.644 1.136 -1.837 1.00 0.00 C ATOM 441 C CYS A 30 -13.138 0.762 -3.237 1.00 0.00 C ATOM 442 O CYS A 30 -14.319 0.786 -3.512 1.00 0.00 O ATOM 443 CB CYS A 30 -13.075 0.051 -0.834 1.00 0.00 C ATOM 444 SG CYS A 30 -12.572 -1.587 -1.440 1.00 0.00 S ATOM 0 H CYS A 30 -13.907 2.413 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.557 1.215 -1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.623 0.243 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.156 0.081 -0.695 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.360 -2.494 -0.943 1.00 0.00 H new ATOM 449 N GLN A 31 -12.255 0.438 -4.134 1.00 0.00 N ATOM 450 CA GLN A 31 -12.711 0.092 -5.511 1.00 0.00 C ATOM 451 C GLN A 31 -13.503 -1.217 -5.486 1.00 0.00 C ATOM 452 O GLN A 31 -14.121 -1.593 -6.462 1.00 0.00 O ATOM 453 CB GLN A 31 -11.510 -0.039 -6.455 1.00 0.00 C ATOM 454 CG GLN A 31 -10.580 -1.172 -6.000 1.00 0.00 C ATOM 455 CD GLN A 31 -11.114 -2.529 -6.474 1.00 0.00 C ATOM 456 OE1 GLN A 31 -10.591 -3.559 -6.097 1.00 0.00 O ATOM 457 NE2 GLN A 31 -12.132 -2.580 -7.289 1.00 0.00 N ATOM 0 H GLN A 31 -11.248 0.397 -3.980 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.356 0.891 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.859 -0.234 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.959 0.901 -6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.578 -1.010 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.496 -1.167 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.574 -1.718 -7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.486 -3.482 -7.607 1.00 0.00 H new ATOM 466 N SER A 32 -13.498 -1.909 -4.378 1.00 0.00 N ATOM 467 CA SER A 32 -14.259 -3.191 -4.289 1.00 0.00 C ATOM 468 C SER A 32 -15.420 -3.031 -3.303 1.00 0.00 C ATOM 469 O SER A 32 -16.398 -3.749 -3.360 1.00 0.00 O ATOM 470 CB SER A 32 -13.328 -4.301 -3.807 1.00 0.00 C ATOM 471 OG SER A 32 -12.247 -4.436 -4.719 1.00 0.00 O ATOM 0 H SER A 32 -12.999 -1.642 -3.529 1.00 0.00 H new ATOM 0 HA SER A 32 -14.654 -3.449 -5.272 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.952 -4.069 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.874 -5.241 -3.730 1.00 0.00 H new ATOM 0 HG SER A 32 -11.559 -3.770 -4.512 1.00 0.00 H new ATOM 477 N CYS A 33 -15.317 -2.089 -2.400 1.00 0.00 N ATOM 478 CA CYS A 33 -16.412 -1.870 -1.405 1.00 0.00 C ATOM 479 C CYS A 33 -16.867 -0.415 -1.469 1.00 0.00 C ATOM 480 O CYS A 33 -17.934 -0.066 -1.005 1.00 0.00 O ATOM 481 CB CYS A 33 -15.891 -2.168 0.004 1.00 0.00 C ATOM 482 SG CYS A 33 -15.150 -3.812 0.034 1.00 0.00 S ATOM 0 H CYS A 33 -14.519 -1.460 -2.308 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.248 -2.531 -1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.155 -1.420 0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.707 -2.112 0.725 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.331 -4.348 1.204 1.00 0.00 H new ATOM 487 N GLY A 34 -16.058 0.442 -2.032 1.00 0.00 N ATOM 488 CA GLY A 34 -16.434 1.880 -2.112 1.00 0.00 C ATOM 489 C GLY A 34 -16.965 2.321 -0.747 1.00 0.00 C ATOM 490 O GLY A 34 -18.099 2.736 -0.611 1.00 0.00 O ATOM 0 H GLY A 34 -15.153 0.207 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.570 2.482 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.193 2.031 -2.880 1.00 0.00 H new ATOM 494 N VAL A 35 -16.160 2.191 0.271 1.00 0.00 N ATOM 495 CA VAL A 35 -16.617 2.551 1.644 1.00 0.00 C ATOM 496 C VAL A 35 -16.244 3.994 2.011 1.00 0.00 C ATOM 497 O VAL A 35 -17.029 4.687 2.625 1.00 0.00 O ATOM 498 CB VAL A 35 -15.983 1.568 2.633 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.650 0.192 2.464 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.482 1.450 2.349 1.00 0.00 C ATOM 0 H VAL A 35 -15.201 1.849 0.211 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.704 2.487 1.685 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.126 1.925 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.206 -0.516 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.718 0.278 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.499 -0.163 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.032 0.750 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.331 1.088 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.013 2.428 2.459 1.00 0.00 H new ATOM 510 N THR A 36 -15.074 4.468 1.656 1.00 0.00 N ATOM 511 CA THR A 36 -14.710 5.871 2.019 1.00 0.00 C ATOM 512 C THR A 36 -13.211 6.085 1.822 1.00 0.00 C ATOM 513 O THR A 36 -12.509 5.213 1.361 1.00 0.00 O ATOM 514 CB THR A 36 -15.063 6.146 3.489 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.264 7.218 3.969 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.799 4.897 4.340 1.00 0.00 C ATOM 0 H THR A 36 -14.364 3.951 1.137 1.00 0.00 H new ATOM 0 HA THR A 36 -15.268 6.552 1.377 1.00 0.00 H new ATOM 0 HB THR A 36 -16.119 6.407 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.719 8.068 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.053 5.105 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.411 4.072 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.746 4.626 4.271 1.00 0.00 H new ATOM 524 N GLY A 37 -12.726 7.251 2.163 1.00 0.00 N ATOM 525 CA GLY A 37 -11.275 7.550 1.994 1.00 0.00 C ATOM 526 C GLY A 37 -10.512 7.249 3.279 1.00 0.00 C ATOM 527 O GLY A 37 -9.695 6.353 3.329 1.00 0.00 O ATOM 0 H GLY A 37 -13.279 8.014 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.869 6.956 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.143 8.598 1.723 1.00 0.00 H new ATOM 531 N PRO A 38 -10.754 8.001 4.312 1.00 0.00 N ATOM 532 CA PRO A 38 -10.056 7.801 5.597 1.00 0.00 C ATOM 533 C PRO A 38 -9.990 6.328 5.980 1.00 0.00 C ATOM 534 O PRO A 38 -10.980 5.623 5.997 1.00 0.00 O ATOM 535 CB PRO A 38 -10.868 8.593 6.624 1.00 0.00 C ATOM 536 CG PRO A 38 -12.003 9.242 5.877 1.00 0.00 C ATOM 537 CD PRO A 38 -11.703 9.114 4.379 1.00 0.00 C ATOM 0 HA PRO A 38 -9.021 8.139 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.247 7.936 7.407 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.247 9.344 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.949 8.758 6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.099 10.290 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.606 8.906 3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.274 10.031 3.976 1.00 0.00 H new ATOM 545 N ASN A 39 -8.820 5.871 6.285 1.00 0.00 N ATOM 546 CA ASN A 39 -8.635 4.447 6.674 1.00 0.00 C ATOM 547 C ASN A 39 -8.678 3.550 5.434 1.00 0.00 C ATOM 548 O ASN A 39 -8.975 2.376 5.526 1.00 0.00 O ATOM 549 CB ASN A 39 -9.739 4.026 7.651 1.00 0.00 C ATOM 550 CG ASN A 39 -9.154 3.112 8.733 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.598 1.995 8.905 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.172 3.545 9.473 1.00 0.00 N ATOM 0 H ASN A 39 -7.966 6.428 6.283 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.664 4.339 7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.187 4.908 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.534 3.507 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.776 2.945 10.197 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.799 4.483 9.328 1.00 0.00 H new ATOM 559 N LEU A 40 -8.370 4.075 4.279 1.00 0.00 N ATOM 560 CA LEU A 40 -8.387 3.212 3.063 1.00 0.00 C ATOM 561 C LEU A 40 -7.072 2.435 3.009 1.00 0.00 C ATOM 562 O LEU A 40 -6.180 2.649 3.803 1.00 0.00 O ATOM 563 CB LEU A 40 -8.511 4.067 1.789 1.00 0.00 C ATOM 564 CG LEU A 40 -9.979 4.268 1.370 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.003 4.918 -0.017 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.716 2.921 1.297 1.00 0.00 C ATOM 0 H LEU A 40 -8.111 5.049 4.125 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.241 2.537 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.046 5.038 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.964 3.588 0.976 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.475 4.899 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.036 5.068 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.492 5.880 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.498 4.269 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.751 3.088 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.227 2.278 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.693 2.440 2.275 1.00 0.00 H new ATOM 578 N TRP A 41 -6.942 1.547 2.069 1.00 0.00 N ATOM 579 CA TRP A 41 -5.681 0.763 1.948 1.00 0.00 C ATOM 580 C TRP A 41 -5.610 0.161 0.545 1.00 0.00 C ATOM 581 O TRP A 41 -6.220 -0.850 0.258 1.00 0.00 O ATOM 582 CB TRP A 41 -5.659 -0.353 3.007 1.00 0.00 C ATOM 583 CG TRP A 41 -4.431 -0.222 3.857 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.172 -0.068 3.384 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.324 -0.231 5.311 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.300 0.022 4.455 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.962 -0.074 5.663 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.266 -0.357 6.347 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.551 -0.042 6.997 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.855 -0.326 7.690 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.501 -0.169 8.014 1.00 0.00 C ATOM 0 H TRP A 41 -7.656 1.327 1.375 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.821 1.412 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.552 -0.294 3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.674 -1.329 2.521 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.894 -0.023 2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.292 0.144 4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.312 -0.478 6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.506 0.080 7.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.587 -0.424 8.478 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.192 -0.146 9.049 1.00 0.00 H new ATOM 602 N ALA A 42 -4.889 0.791 -0.340 1.00 0.00 N ATOM 603 CA ALA A 42 -4.797 0.274 -1.730 1.00 0.00 C ATOM 604 C ALA A 42 -3.557 -0.597 -1.908 1.00 0.00 C ATOM 605 O ALA A 42 -2.504 -0.328 -1.366 1.00 0.00 O ATOM 606 CB ALA A 42 -4.719 1.454 -2.695 1.00 0.00 C ATOM 0 H ALA A 42 -4.359 1.643 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.680 -0.332 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.651 1.084 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.613 2.069 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.837 2.053 -2.467 1.00 0.00 H new ATOM 612 N CYS A 43 -3.681 -1.633 -2.688 1.00 0.00 N ATOM 613 CA CYS A 43 -2.525 -2.530 -2.944 1.00 0.00 C ATOM 614 C CYS A 43 -1.405 -1.715 -3.587 1.00 0.00 C ATOM 615 O CYS A 43 -1.654 -0.725 -4.248 1.00 0.00 O ATOM 616 CB CYS A 43 -2.959 -3.641 -3.895 1.00 0.00 C ATOM 617 SG CYS A 43 -1.772 -5.002 -3.819 1.00 0.00 S ATOM 0 H CYS A 43 -4.544 -1.898 -3.163 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.172 -2.968 -2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.953 -3.997 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.023 -3.257 -4.913 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.887 -5.738 -4.884 1.00 0.00 H new ATOM 622 N LEU A 44 -0.174 -2.106 -3.395 1.00 0.00 N ATOM 623 CA LEU A 44 0.949 -1.328 -3.993 1.00 0.00 C ATOM 624 C LEU A 44 1.941 -2.262 -4.693 1.00 0.00 C ATOM 625 O LEU A 44 3.136 -2.063 -4.614 1.00 0.00 O ATOM 626 CB LEU A 44 1.672 -0.560 -2.885 1.00 0.00 C ATOM 627 CG LEU A 44 2.641 0.465 -3.507 1.00 0.00 C ATOM 628 CD1 LEU A 44 2.004 1.856 -3.487 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.947 0.502 -2.707 1.00 0.00 C ATOM 0 H LEU A 44 0.102 -2.925 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 44 0.544 -0.634 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.947 -0.050 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.221 -1.253 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 44 2.852 0.171 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.692 2.578 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.078 1.840 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.788 2.142 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.626 1.229 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.735 0.788 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.411 -0.484 -2.721 1.00 0.00 H new ATOM 641 N GLN A 45 1.477 -3.271 -5.386 1.00 0.00 N ATOM 642 CA GLN A 45 2.439 -4.177 -6.080 1.00 0.00 C ATOM 643 C GLN A 45 2.735 -3.624 -7.476 1.00 0.00 C ATOM 644 O GLN A 45 1.879 -3.061 -8.129 1.00 0.00 O ATOM 645 CB GLN A 45 1.866 -5.592 -6.203 1.00 0.00 C ATOM 646 CG GLN A 45 1.064 -5.958 -4.946 1.00 0.00 C ATOM 647 CD GLN A 45 1.880 -6.924 -4.082 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.337 -7.943 -4.558 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.087 -6.640 -2.826 1.00 0.00 N ATOM 0 H GLN A 45 0.490 -3.504 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 45 3.356 -4.226 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.225 -5.656 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.676 -6.308 -6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.826 -5.058 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.116 -6.417 -5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.703 -5.784 -2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.633 -7.274 -2.243 1.00 0.00 H new ATOM 658 N VAL A 46 3.948 -3.774 -7.927 1.00 0.00 N ATOM 659 CA VAL A 46 4.331 -3.255 -9.275 1.00 0.00 C ATOM 660 C VAL A 46 3.240 -3.552 -10.313 1.00 0.00 C ATOM 661 O VAL A 46 3.255 -3.002 -11.396 1.00 0.00 O ATOM 662 CB VAL A 46 5.633 -3.924 -9.724 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.501 -5.443 -9.587 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.916 -3.569 -11.187 1.00 0.00 C ATOM 0 H VAL A 46 4.700 -4.238 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 46 4.460 -2.175 -9.200 1.00 0.00 H new ATOM 0 HB VAL A 46 6.454 -3.571 -9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.428 -5.919 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.302 -5.699 -8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.679 -5.794 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.843 -4.046 -11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.095 -3.920 -11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.012 -2.488 -11.287 1.00 0.00 H new ATOM 674 N ALA A 47 2.306 -4.421 -10.020 1.00 0.00 N ATOM 675 CA ALA A 47 1.254 -4.728 -11.039 1.00 0.00 C ATOM 676 C ALA A 47 -0.099 -5.000 -10.375 1.00 0.00 C ATOM 677 O ALA A 47 -0.752 -5.982 -10.670 1.00 0.00 O ATOM 678 CB ALA A 47 1.678 -5.962 -11.838 1.00 0.00 C ATOM 0 H ALA A 47 2.225 -4.924 -9.136 1.00 0.00 H new ATOM 0 HA ALA A 47 1.147 -3.865 -11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.916 -6.192 -12.583 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.626 -5.764 -12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.794 -6.810 -11.163 1.00 0.00 H new ATOM 684 N CYS A 48 -0.542 -4.141 -9.497 1.00 0.00 N ATOM 685 CA CYS A 48 -1.866 -4.366 -8.848 1.00 0.00 C ATOM 686 C CYS A 48 -2.532 -3.022 -8.536 1.00 0.00 C ATOM 687 O CYS A 48 -2.479 -2.543 -7.420 1.00 0.00 O ATOM 688 CB CYS A 48 -1.676 -5.141 -7.548 1.00 0.00 C ATOM 689 SG CYS A 48 -3.253 -5.877 -7.060 1.00 0.00 S ATOM 0 H CYS A 48 -0.048 -3.298 -9.202 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.499 -4.936 -9.528 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.924 -5.918 -7.681 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.313 -4.476 -6.764 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.123 -4.935 -6.844 1.00 0.00 H new ATOM 694 N PRO A 49 -3.163 -2.424 -9.511 1.00 0.00 N ATOM 695 CA PRO A 49 -3.859 -1.126 -9.334 1.00 0.00 C ATOM 696 C PRO A 49 -5.305 -1.304 -8.856 1.00 0.00 C ATOM 697 O PRO A 49 -6.192 -1.599 -9.631 1.00 0.00 O ATOM 698 CB PRO A 49 -3.828 -0.535 -10.743 1.00 0.00 C ATOM 699 CG PRO A 49 -3.869 -1.720 -11.663 1.00 0.00 C ATOM 700 CD PRO A 49 -3.278 -2.913 -10.892 1.00 0.00 C ATOM 0 HA PRO A 49 -3.388 -0.499 -8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.678 0.126 -10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.927 0.057 -10.903 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.892 -1.931 -11.974 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.295 -1.524 -12.569 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.926 -3.788 -10.953 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.308 -3.206 -11.293 1.00 0.00 H new ATOM 708 N TYR A 50 -5.543 -1.112 -7.586 1.00 0.00 N ATOM 709 CA TYR A 50 -6.920 -1.255 -7.033 1.00 0.00 C ATOM 710 C TYR A 50 -6.901 -0.749 -5.591 1.00 0.00 C ATOM 711 O TYR A 50 -6.008 -1.072 -4.834 1.00 0.00 O ATOM 712 CB TYR A 50 -7.339 -2.730 -7.047 1.00 0.00 C ATOM 713 CG TYR A 50 -7.721 -3.145 -8.450 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.971 -4.120 -9.121 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.823 -2.553 -9.082 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.322 -4.502 -10.420 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.174 -2.937 -10.382 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.424 -3.912 -11.051 1.00 0.00 C ATOM 719 OH TYR A 50 -8.769 -4.289 -12.333 1.00 0.00 O ATOM 0 H TYR A 50 -4.832 -0.859 -6.900 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.627 -0.684 -7.634 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.521 -3.353 -6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.180 -2.884 -6.371 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.122 -4.577 -8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.401 -1.801 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.743 -5.253 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.023 -2.481 -10.869 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.558 -3.784 -12.621 1.00 0.00 H new ATOM 729 N VAL A 51 -7.859 0.051 -5.200 1.00 0.00 N ATOM 730 CA VAL A 51 -7.851 0.571 -3.802 1.00 0.00 C ATOM 731 C VAL A 51 -8.844 -0.204 -2.939 1.00 0.00 C ATOM 732 O VAL A 51 -10.043 -0.067 -3.060 1.00 0.00 O ATOM 733 CB VAL A 51 -8.188 2.066 -3.800 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.355 2.340 -4.753 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.558 2.515 -2.382 1.00 0.00 C ATOM 0 H VAL A 51 -8.637 0.363 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.855 0.435 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.316 2.627 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.588 3.405 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.079 2.036 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.229 1.775 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.796 3.579 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.424 1.951 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.717 2.335 -1.712 1.00 0.00 H new ATOM 745 N GLY A 52 -8.336 -1.023 -2.059 1.00 0.00 N ATOM 746 CA GLY A 52 -9.219 -1.826 -1.169 1.00 0.00 C ATOM 747 C GLY A 52 -9.566 -1.021 0.085 1.00 0.00 C ATOM 748 O GLY A 52 -9.251 0.146 0.193 1.00 0.00 O ATOM 0 H GLY A 52 -7.337 -1.171 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.131 -2.101 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.721 -2.754 -0.889 1.00 0.00 H new ATOM 752 N CYS A 53 -10.222 -1.639 1.034 1.00 0.00 N ATOM 753 CA CYS A 53 -10.603 -0.919 2.283 1.00 0.00 C ATOM 754 C CYS A 53 -9.616 -1.223 3.386 1.00 0.00 C ATOM 755 O CYS A 53 -8.791 -2.110 3.302 1.00 0.00 O ATOM 756 CB CYS A 53 -11.951 -1.429 2.820 1.00 0.00 C ATOM 757 SG CYS A 53 -12.272 -3.088 2.174 1.00 0.00 S ATOM 0 H CYS A 53 -10.511 -2.617 0.995 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.637 0.141 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.936 -1.449 3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.752 -0.751 2.524 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.339 -3.066 1.431 1.00 0.00 H new ATOM 762 N GLY A 54 -9.794 -0.529 4.456 1.00 0.00 N ATOM 763 CA GLY A 54 -8.999 -0.768 5.673 1.00 0.00 C ATOM 764 C GLY A 54 -10.031 -1.220 6.691 1.00 0.00 C ATOM 765 O GLY A 54 -11.207 -0.998 6.488 1.00 0.00 O ATOM 0 H GLY A 54 -10.481 0.220 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.236 -1.529 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.483 0.135 5.999 1.00 0.00 H new ATOM 769 N GLU A 55 -9.648 -1.865 7.748 1.00 0.00 N ATOM 770 CA GLU A 55 -10.673 -2.329 8.736 1.00 0.00 C ATOM 771 C GLU A 55 -11.916 -1.460 8.640 1.00 0.00 C ATOM 772 O GLU A 55 -13.029 -1.937 8.740 1.00 0.00 O ATOM 773 CB GLU A 55 -10.113 -2.224 10.143 1.00 0.00 C ATOM 774 CG GLU A 55 -9.951 -0.751 10.529 1.00 0.00 C ATOM 775 CD GLU A 55 -9.048 -0.640 11.759 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.079 -1.379 11.825 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.340 0.181 12.613 1.00 0.00 O ATOM 0 H GLU A 55 -8.681 -2.094 7.978 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.930 -3.365 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.779 -2.723 10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.150 -2.732 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.521 -0.192 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.925 -0.310 10.740 1.00 0.00 H new ATOM 784 N SER A 56 -11.722 -0.192 8.421 1.00 0.00 N ATOM 785 CA SER A 56 -12.879 0.735 8.278 1.00 0.00 C ATOM 786 C SER A 56 -14.066 -0.052 7.730 1.00 0.00 C ATOM 787 O SER A 56 -15.180 0.069 8.201 1.00 0.00 O ATOM 788 CB SER A 56 -12.501 1.845 7.297 1.00 0.00 C ATOM 789 OG SER A 56 -12.422 3.078 8.000 1.00 0.00 O ATOM 0 H SER A 56 -10.805 0.247 8.334 1.00 0.00 H new ATOM 0 HA SER A 56 -13.141 1.174 9.241 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.545 1.620 6.824 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.243 1.912 6.501 1.00 0.00 H new ATOM 0 HG SER A 56 -12.514 3.821 7.368 1.00 0.00 H new ATOM 795 N PHE A 57 -13.820 -0.883 6.750 1.00 0.00 N ATOM 796 CA PHE A 57 -14.920 -1.714 6.178 1.00 0.00 C ATOM 797 C PHE A 57 -14.626 -3.186 6.430 1.00 0.00 C ATOM 798 O PHE A 57 -14.941 -3.733 7.469 1.00 0.00 O ATOM 799 CB PHE A 57 -15.028 -1.493 4.674 1.00 0.00 C ATOM 800 CG PHE A 57 -16.119 -2.386 4.122 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.809 -3.383 3.188 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.443 -2.220 4.551 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.819 -4.211 2.684 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.453 -3.048 4.045 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.141 -4.043 3.112 1.00 0.00 C ATOM 0 H PHE A 57 -12.905 -1.022 6.322 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.856 -1.425 6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.254 -0.448 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.077 -1.718 4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.789 -3.513 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.685 -1.453 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.578 -4.980 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.473 -2.918 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.920 -4.681 2.722 1.00 0.00 H new ATOM 815 N ALA A 58 -14.013 -3.822 5.476 1.00 0.00 N ATOM 816 CA ALA A 58 -13.668 -5.268 5.618 1.00 0.00 C ATOM 817 C ALA A 58 -12.155 -5.415 5.489 1.00 0.00 C ATOM 818 O ALA A 58 -11.615 -6.502 5.531 1.00 0.00 O ATOM 819 CB ALA A 58 -14.359 -6.071 4.513 1.00 0.00 C ATOM 0 H ALA A 58 -13.731 -3.400 4.591 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.000 -5.641 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.106 -7.126 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.439 -5.947 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.024 -5.713 3.539 1.00 0.00 H new ATOM 825 N ASP A 59 -11.474 -4.315 5.333 1.00 0.00 N ATOM 826 CA ASP A 59 -9.995 -4.352 5.201 1.00 0.00 C ATOM 827 C ASP A 59 -9.590 -5.300 4.073 1.00 0.00 C ATOM 828 O ASP A 59 -8.920 -6.288 4.300 1.00 0.00 O ATOM 829 CB ASP A 59 -9.369 -4.828 6.518 1.00 0.00 C ATOM 830 CG ASP A 59 -7.868 -5.056 6.329 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.130 -4.089 6.417 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.483 -6.191 6.107 1.00 0.00 O ATOM 0 H ASP A 59 -11.885 -3.383 5.291 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.638 -3.349 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.537 -4.087 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.847 -5.751 6.845 1.00 0.00 H new ATOM 837 N HIS A 60 -9.958 -5.007 2.848 1.00 0.00 N ATOM 838 CA HIS A 60 -9.536 -5.906 1.736 1.00 0.00 C ATOM 839 C HIS A 60 -8.042 -6.144 1.913 1.00 0.00 C ATOM 840 O HIS A 60 -7.496 -7.137 1.499 1.00 0.00 O ATOM 841 CB HIS A 60 -9.786 -5.231 0.377 1.00 0.00 C ATOM 842 CG HIS A 60 -10.970 -5.860 -0.313 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.138 -5.153 -0.599 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.177 -7.133 -0.782 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.980 -6.010 -1.210 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.442 -7.222 -1.344 1.00 0.00 N ATOM 0 H HIS A 60 -10.521 -4.201 2.577 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.100 -6.839 1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.965 -4.165 0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.900 -5.324 -0.251 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.320 -4.172 -0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.464 -7.942 -0.723 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.971 -5.746 -1.550 1.00 0.00 H new ATOM 854 N SER A 61 -7.388 -5.217 2.548 1.00 0.00 N ATOM 855 CA SER A 61 -5.925 -5.344 2.789 1.00 0.00 C ATOM 856 C SER A 61 -5.587 -6.762 3.253 1.00 0.00 C ATOM 857 O SER A 61 -4.516 -7.269 2.987 1.00 0.00 O ATOM 858 CB SER A 61 -5.526 -4.345 3.876 1.00 0.00 C ATOM 859 OG SER A 61 -4.179 -3.938 3.673 1.00 0.00 O ATOM 0 H SER A 61 -7.810 -4.364 2.916 1.00 0.00 H new ATOM 0 HA SER A 61 -5.382 -5.140 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.187 -3.479 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.636 -4.799 4.861 1.00 0.00 H new ATOM 0 HG SER A 61 -3.923 -3.297 4.368 1.00 0.00 H new ATOM 865 N THR A 62 -6.480 -7.403 3.953 1.00 0.00 N ATOM 866 CA THR A 62 -6.186 -8.777 4.438 1.00 0.00 C ATOM 867 C THR A 62 -6.616 -9.813 3.406 1.00 0.00 C ATOM 868 O THR A 62 -5.804 -10.531 2.859 1.00 0.00 O ATOM 869 CB THR A 62 -6.944 -9.040 5.734 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.209 -8.394 5.684 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.143 -8.514 6.928 1.00 0.00 C ATOM 0 H THR A 62 -7.397 -7.036 4.209 1.00 0.00 H new ATOM 0 HA THR A 62 -5.112 -8.856 4.606 1.00 0.00 H new ATOM 0 HB THR A 62 -7.088 -10.114 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.089 -7.430 5.814 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.693 -8.707 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.178 -9.019 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.987 -7.441 6.817 1.00 0.00 H new ATOM 879 N ILE A 63 -7.893 -9.920 3.151 1.00 0.00 N ATOM 880 CA ILE A 63 -8.348 -10.941 2.175 1.00 0.00 C ATOM 881 C ILE A 63 -7.657 -10.694 0.835 1.00 0.00 C ATOM 882 O ILE A 63 -7.367 -11.609 0.091 1.00 0.00 O ATOM 883 CB ILE A 63 -9.859 -10.884 1.990 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.283 -9.437 1.807 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.554 -11.475 3.217 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.702 -9.384 1.239 1.00 0.00 C ATOM 0 H ILE A 63 -8.628 -9.352 3.572 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.088 -11.929 2.555 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.142 -11.463 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.243 -8.913 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.592 -8.928 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.634 -11.432 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.246 -12.513 3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.278 -10.903 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.003 -8.345 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.727 -9.893 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.388 -9.877 1.928 1.00 0.00 H new ATOM 898 N HIS A 64 -7.388 -9.459 0.531 1.00 0.00 N ATOM 899 CA HIS A 64 -6.706 -9.129 -0.754 1.00 0.00 C ATOM 900 C HIS A 64 -5.249 -9.587 -0.682 1.00 0.00 C ATOM 901 O HIS A 64 -4.720 -10.150 -1.618 1.00 0.00 O ATOM 902 CB HIS A 64 -6.744 -7.619 -1.000 1.00 0.00 C ATOM 903 CG HIS A 64 -6.058 -7.323 -2.301 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.757 -7.024 -3.460 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.730 -7.295 -2.644 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.853 -6.834 -4.438 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.604 -6.990 -3.993 1.00 0.00 N ATOM 0 H HIS A 64 -7.611 -8.656 1.119 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.220 -9.637 -1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.775 -7.267 -1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.250 -7.091 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.908 -7.482 -1.968 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.107 -6.586 -5.458 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.741 -6.904 -4.530 1.00 0.00 H new ATOM 915 N ALA A 65 -4.599 -9.372 0.432 1.00 0.00 N ATOM 916 CA ALA A 65 -3.185 -9.824 0.560 1.00 0.00 C ATOM 917 C ALA A 65 -3.220 -11.329 0.783 1.00 0.00 C ATOM 918 O ALA A 65 -2.257 -12.040 0.601 1.00 0.00 O ATOM 919 CB ALA A 65 -2.528 -9.137 1.760 1.00 0.00 C ATOM 0 H ALA A 65 -4.985 -8.906 1.253 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.611 -9.574 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.494 -9.471 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.549 -8.057 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.072 -9.394 2.669 1.00 0.00 H new ATOM 925 N GLN A 66 -4.355 -11.784 1.203 1.00 0.00 N ATOM 926 CA GLN A 66 -4.584 -13.219 1.494 1.00 0.00 C ATOM 927 C GLN A 66 -4.921 -13.980 0.206 1.00 0.00 C ATOM 928 O GLN A 66 -4.561 -15.129 0.038 1.00 0.00 O ATOM 929 CB GLN A 66 -5.785 -13.247 2.430 1.00 0.00 C ATOM 930 CG GLN A 66 -6.368 -14.655 2.591 1.00 0.00 C ATOM 931 CD GLN A 66 -5.818 -15.304 3.864 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.345 -15.101 4.939 1.00 0.00 O ATOM 933 NE2 GLN A 66 -4.774 -16.083 3.787 1.00 0.00 N ATOM 0 H GLN A 66 -5.171 -11.194 1.364 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.702 -13.688 1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.489 -12.865 3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.556 -12.579 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.456 -14.604 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.115 -15.264 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.331 -16.254 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.401 -16.521 4.629 1.00 0.00 H new ATOM 942 N ALA A 67 -5.637 -13.357 -0.688 1.00 0.00 N ATOM 943 CA ALA A 67 -6.035 -14.045 -1.947 1.00 0.00 C ATOM 944 C ALA A 67 -4.957 -13.851 -3.010 1.00 0.00 C ATOM 945 O ALA A 67 -4.586 -14.769 -3.713 1.00 0.00 O ATOM 946 CB ALA A 67 -7.360 -13.457 -2.445 1.00 0.00 C ATOM 0 H ALA A 67 -5.965 -12.395 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.155 -15.111 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.656 -13.957 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.131 -13.604 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.237 -12.391 -2.634 1.00 0.00 H new ATOM 952 N LYS A 68 -4.465 -12.654 -3.139 1.00 0.00 N ATOM 953 CA LYS A 68 -3.421 -12.379 -4.163 1.00 0.00 C ATOM 954 C LYS A 68 -2.041 -12.473 -3.520 1.00 0.00 C ATOM 955 O LYS A 68 -1.029 -12.232 -4.148 1.00 0.00 O ATOM 956 CB LYS A 68 -3.641 -10.977 -4.727 1.00 0.00 C ATOM 957 CG LYS A 68 -5.075 -10.868 -5.271 1.00 0.00 C ATOM 958 CD LYS A 68 -5.996 -10.266 -4.207 1.00 0.00 C ATOM 959 CE LYS A 68 -7.365 -9.972 -4.824 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.304 -9.524 -3.757 1.00 0.00 N ATOM 0 H LYS A 68 -4.742 -11.849 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.485 -13.110 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.477 -10.230 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.922 -10.775 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.086 -10.247 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.438 -11.854 -5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.103 -10.957 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.560 -9.349 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.273 -9.202 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.754 -10.864 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.248 -9.373 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.360 -10.252 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.960 -8.634 -3.343 1.00 0.00 H new ATOM 974 N LYS A 69 -2.000 -12.836 -2.272 1.00 0.00 N ATOM 975 CA LYS A 69 -0.700 -12.969 -1.565 1.00 0.00 C ATOM 976 C LYS A 69 0.090 -11.656 -1.659 1.00 0.00 C ATOM 977 O LYS A 69 1.273 -11.617 -1.387 1.00 0.00 O ATOM 978 CB LYS A 69 0.111 -14.111 -2.195 1.00 0.00 C ATOM 979 CG LYS A 69 -0.196 -15.433 -1.476 1.00 0.00 C ATOM 980 CD LYS A 69 -1.715 -15.614 -1.324 1.00 0.00 C ATOM 981 CE LYS A 69 -2.055 -17.106 -1.292 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.497 -17.278 -0.956 1.00 0.00 N ATOM 0 H LYS A 69 -2.821 -13.049 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.886 -13.192 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.131 -14.199 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.176 -13.891 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.223 -16.267 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.279 -15.441 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.059 -15.133 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.233 -15.130 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.839 -17.560 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.435 -17.616 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.636 -18.192 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.801 -16.509 -0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.062 -17.253 -1.829 1.00 0.00 H new ATOM 996 N HIS A 70 -0.557 -10.575 -2.007 1.00 0.00 N ATOM 997 CA HIS A 70 0.170 -9.272 -2.074 1.00 0.00 C ATOM 998 C HIS A 70 0.405 -8.808 -0.634 1.00 0.00 C ATOM 999 O HIS A 70 -0.516 -8.724 0.151 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.675 -8.254 -2.846 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.730 -8.670 -4.295 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.775 -8.307 -5.134 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.122 -9.428 -5.067 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.527 -8.840 -6.344 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.387 -9.530 -6.355 1.00 0.00 N ATOM 0 H HIS A 70 -1.548 -10.537 -2.246 1.00 0.00 H new ATOM 0 HA HIS A 70 1.123 -9.375 -2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.681 -8.204 -2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.242 -7.258 -2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.044 -9.874 -4.724 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.173 -8.723 -7.202 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.025 -10.028 -7.144 1.00 0.00 H new ATOM 1013 N ASN A 71 1.633 -8.557 -0.260 1.00 0.00 N ATOM 1014 CA ASN A 71 1.909 -8.161 1.152 1.00 0.00 C ATOM 1015 C ASN A 71 1.896 -6.642 1.322 1.00 0.00 C ATOM 1016 O ASN A 71 1.322 -6.122 2.257 1.00 0.00 O ATOM 1017 CB ASN A 71 3.285 -8.705 1.557 1.00 0.00 C ATOM 1018 CG ASN A 71 3.691 -9.840 0.614 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.809 -9.879 0.138 1.00 0.00 O ATOM 1020 ND2 ASN A 71 2.826 -10.772 0.321 1.00 0.00 N ATOM 0 H ASN A 71 2.451 -8.609 -0.867 1.00 0.00 H new ATOM 0 HA ASN A 71 1.127 -8.577 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.027 -7.907 1.521 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.255 -9.067 2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.088 -11.532 -0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.888 -10.740 0.720 1.00 0.00 H new ATOM 1027 N LEU A 72 2.560 -5.932 0.461 1.00 0.00 N ATOM 1028 CA LEU A 72 2.630 -4.453 0.618 1.00 0.00 C ATOM 1029 C LEU A 72 1.384 -3.743 0.089 1.00 0.00 C ATOM 1030 O LEU A 72 0.872 -4.033 -0.973 1.00 0.00 O ATOM 1031 CB LEU A 72 3.853 -3.937 -0.127 1.00 0.00 C ATOM 1032 CG LEU A 72 5.117 -4.395 0.598 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.326 -4.130 -0.295 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.281 -3.617 1.912 1.00 0.00 C ATOM 0 H LEU A 72 3.058 -6.309 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 72 2.697 -4.238 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.853 -4.309 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.826 -2.849 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 72 5.039 -5.459 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.233 -4.454 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.217 -4.683 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.392 -3.064 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.185 -3.950 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.358 -2.551 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.417 -3.796 2.551 1.00 0.00 H new ATOM 1046 N THR A 73 0.936 -2.775 0.840 1.00 0.00 N ATOM 1047 CA THR A 73 -0.241 -1.952 0.449 1.00 0.00 C ATOM 1048 C THR A 73 -0.024 -0.572 1.069 1.00 0.00 C ATOM 1049 O THR A 73 0.777 -0.431 1.967 1.00 0.00 O ATOM 1050 CB THR A 73 -1.530 -2.573 0.999 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.657 -2.252 2.377 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.485 -4.093 0.829 1.00 0.00 C ATOM 0 H THR A 73 1.350 -2.514 1.735 1.00 0.00 H new ATOM 0 HA THR A 73 -0.338 -1.894 -0.635 1.00 0.00 H new ATOM 0 HB THR A 73 -2.385 -2.176 0.451 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.498 -1.770 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.403 -4.530 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.389 -4.338 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.630 -4.495 1.373 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.691 0.455 0.609 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.441 1.804 1.209 1.00 0.00 C ATOM 1062 C VAL A 74 -1.725 2.411 1.772 1.00 0.00 C ATOM 1063 O VAL A 74 -2.749 2.475 1.119 1.00 0.00 O ATOM 1064 CB VAL A 74 0.160 2.730 0.147 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.587 2.549 -1.177 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.040 4.190 0.597 1.00 0.00 C ATOM 0 H VAL A 74 -1.383 0.424 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 74 0.260 1.689 2.036 1.00 0.00 H new ATOM 0 HB VAL A 74 1.212 2.478 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.157 3.209 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.497 1.514 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.640 2.795 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.470 4.842 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.011 4.442 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.576 4.326 1.536 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.651 2.868 2.995 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.828 3.493 3.655 1.00 0.00 C ATOM 1078 C ASN A 75 -2.928 4.952 3.200 1.00 0.00 C ATOM 1079 O ASN A 75 -2.266 5.824 3.728 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.629 3.433 5.180 1.00 0.00 C ATOM 1081 CG ASN A 75 -3.968 3.189 5.879 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.718 2.315 5.495 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.298 3.925 6.904 1.00 0.00 N ATOM 0 H ASN A 75 -0.810 2.832 3.571 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.743 2.965 3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.929 2.636 5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.191 4.366 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.185 3.766 7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.669 4.660 7.228 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.743 5.224 2.221 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.876 6.623 1.729 1.00 0.00 C ATOM 1092 C LEU A 76 -4.502 7.482 2.823 1.00 0.00 C ATOM 1093 O LEU A 76 -4.832 8.633 2.618 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.751 6.628 0.475 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.285 5.502 -0.473 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.468 4.608 -0.843 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.676 6.092 -1.752 1.00 0.00 C ATOM 0 H LEU A 76 -4.324 4.537 1.739 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.897 7.032 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.797 6.482 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.683 7.593 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.527 4.912 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.131 3.816 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.886 4.165 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.232 5.204 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.353 5.283 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.423 6.699 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.819 6.714 -1.494 1.00 0.00 H new ATOM 1109 N THR A 77 -4.649 6.927 3.993 1.00 0.00 N ATOM 1110 CA THR A 77 -5.230 7.696 5.122 1.00 0.00 C ATOM 1111 C THR A 77 -4.096 8.383 5.874 1.00 0.00 C ATOM 1112 O THR A 77 -4.211 9.513 6.306 1.00 0.00 O ATOM 1113 CB THR A 77 -5.951 6.734 6.062 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.935 6.024 5.329 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.601 7.522 7.201 1.00 0.00 C ATOM 0 H THR A 77 -4.389 5.966 4.215 1.00 0.00 H new ATOM 0 HA THR A 77 -5.936 8.439 4.751 1.00 0.00 H new ATOM 0 HB THR A 77 -5.241 6.026 6.489 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.333 6.616 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.116 6.834 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.833 8.062 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.318 8.232 6.789 1.00 0.00 H new ATOM 1123 N THR A 78 -2.999 7.694 6.038 1.00 0.00 N ATOM 1124 CA THR A 78 -1.835 8.281 6.771 1.00 0.00 C ATOM 1125 C THR A 78 -0.617 8.398 5.848 1.00 0.00 C ATOM 1126 O THR A 78 0.330 9.093 6.155 1.00 0.00 O ATOM 1127 CB THR A 78 -1.482 7.382 7.957 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.646 7.155 8.739 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.412 8.058 8.813 1.00 0.00 C ATOM 0 H THR A 78 -2.856 6.744 5.695 1.00 0.00 H new ATOM 0 HA THR A 78 -2.107 9.277 7.120 1.00 0.00 H new ATOM 0 HB THR A 78 -1.099 6.430 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.561 7.624 9.595 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.162 7.416 9.657 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.480 8.230 8.211 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.790 9.012 9.182 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.631 7.730 4.727 1.00 0.00 N ATOM 1138 CA PHE A 79 0.526 7.806 3.780 1.00 0.00 C ATOM 1139 C PHE A 79 1.671 6.905 4.260 1.00 0.00 C ATOM 1140 O PHE A 79 2.798 7.334 4.402 1.00 0.00 O ATOM 1141 CB PHE A 79 1.023 9.252 3.661 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.152 10.202 3.716 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -1.245 10.012 2.861 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -0.149 11.271 4.621 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -2.333 10.892 2.911 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -1.238 12.150 4.671 1.00 0.00 C ATOM 1147 CZ PHE A 79 -2.330 11.960 3.816 1.00 0.00 C ATOM 0 H PHE A 79 -1.397 7.130 4.422 1.00 0.00 H new ATOM 0 HA PHE A 79 0.190 7.462 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.721 9.474 4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.566 9.384 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.249 9.187 2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.694 11.417 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.175 10.747 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.235 12.974 5.369 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.170 12.637 3.855 1.00 0.00 H new ATOM 1157 N ARG A 80 1.387 5.652 4.479 1.00 0.00 N ATOM 1158 CA ARG A 80 2.438 4.690 4.913 1.00 0.00 C ATOM 1159 C ARG A 80 2.134 3.358 4.238 1.00 0.00 C ATOM 1160 O ARG A 80 1.179 3.241 3.497 1.00 0.00 O ATOM 1161 CB ARG A 80 2.432 4.512 6.439 1.00 0.00 C ATOM 1162 CG ARG A 80 1.096 4.980 7.035 1.00 0.00 C ATOM 1163 CD ARG A 80 0.818 4.198 8.323 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.262 4.870 9.107 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.490 4.414 9.076 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.416 4.995 9.788 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.795 3.386 8.329 1.00 0.00 N ATOM 0 H ARG A 80 0.457 5.248 4.374 1.00 0.00 H new ATOM 0 HA ARG A 80 3.423 5.063 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.600 3.464 6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.251 5.080 6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.132 6.049 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.290 4.823 6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.522 3.177 8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.726 4.133 8.922 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.041 5.691 9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.183 5.802 10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.373 4.642 9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.075 2.934 7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.753 3.036 8.309 1.00 0.00 H new ATOM 1181 N LEU A 81 2.926 2.355 4.473 1.00 0.00 N ATOM 1182 CA LEU A 81 2.665 1.040 3.825 1.00 0.00 C ATOM 1183 C LEU A 81 2.333 -0.003 4.882 1.00 0.00 C ATOM 1184 O LEU A 81 2.353 0.259 6.068 1.00 0.00 O ATOM 1185 CB LEU A 81 3.907 0.605 3.036 1.00 0.00 C ATOM 1186 CG LEU A 81 3.779 1.033 1.568 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.157 1.435 1.028 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.212 -0.120 0.717 1.00 0.00 C ATOM 0 H LEU A 81 3.742 2.386 5.084 1.00 0.00 H new ATOM 0 HA LEU A 81 1.818 1.135 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.800 1.049 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.026 -0.477 3.098 1.00 0.00 H new ATOM 0 HG LEU A 81 3.098 1.882 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.065 1.739 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.549 2.266 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.838 0.587 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.128 0.201 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.879 -0.980 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.227 -0.398 1.092 1.00 0.00 H new ATOM 1200 N TRP A 82 2.028 -1.185 4.446 1.00 0.00 N ATOM 1201 CA TRP A 82 1.690 -2.280 5.388 1.00 0.00 C ATOM 1202 C TRP A 82 2.007 -3.603 4.705 1.00 0.00 C ATOM 1203 O TRP A 82 1.368 -3.987 3.745 1.00 0.00 O ATOM 1204 CB TRP A 82 0.202 -2.213 5.739 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.072 -3.065 6.939 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.550 -2.947 8.136 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.026 -4.158 7.081 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.040 -3.898 9.001 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.935 -4.668 8.397 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -1.952 -4.750 6.204 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.733 -5.728 8.829 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.758 -5.817 6.635 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.649 -6.304 7.945 1.00 0.00 C ATOM 0 H TRP A 82 1.998 -1.445 3.460 1.00 0.00 H new ATOM 0 HA TRP A 82 2.267 -2.186 6.308 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.088 -1.182 5.939 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.397 -2.554 4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.319 -2.228 8.376 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.346 -4.016 9.967 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.044 -4.382 5.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.643 -6.100 9.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.466 -6.265 5.953 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.272 -7.124 8.271 1.00 0.00 H new ATOM 1224 N CYS A 83 3.005 -4.294 5.173 1.00 0.00 N ATOM 1225 CA CYS A 83 3.382 -5.577 4.536 1.00 0.00 C ATOM 1226 C CYS A 83 2.698 -6.736 5.241 1.00 0.00 C ATOM 1227 O CYS A 83 3.030 -7.059 6.354 1.00 0.00 O ATOM 1228 CB CYS A 83 4.895 -5.758 4.650 1.00 0.00 C ATOM 1229 SG CYS A 83 5.509 -6.565 3.159 1.00 0.00 S ATOM 0 H CYS A 83 3.577 -4.022 5.973 1.00 0.00 H new ATOM 0 HA CYS A 83 3.074 -5.561 3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.380 -4.791 4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.137 -6.357 5.528 1.00 0.00 H new ATOM 0 HG CYS A 83 6.667 -7.103 3.402 1.00 0.00 H new ATOM 1234 N TYR A 84 1.778 -7.394 4.601 1.00 0.00 N ATOM 1235 CA TYR A 84 1.141 -8.557 5.268 1.00 0.00 C ATOM 1236 C TYR A 84 2.191 -9.663 5.319 1.00 0.00 C ATOM 1237 O TYR A 84 1.957 -10.748 5.813 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.087 -9.021 4.475 1.00 0.00 C ATOM 1239 CG TYR A 84 -0.973 -9.862 5.366 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.595 -9.284 6.478 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.169 -11.220 5.082 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.414 -10.061 7.306 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -1.988 -11.998 5.910 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.610 -11.418 7.022 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.417 -12.184 7.839 1.00 0.00 O ATOM 0 H TYR A 84 1.444 -7.182 3.661 1.00 0.00 H new ATOM 0 HA TYR A 84 0.801 -8.295 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.640 -8.159 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.225 -9.599 3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.443 -8.238 6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.688 -11.667 4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.895 -9.614 8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.140 -13.045 5.691 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.447 -13.103 7.500 1.00 0.00 H new ATOM 1255 N ALA A 85 3.370 -9.363 4.833 1.00 0.00 N ATOM 1256 CA ALA A 85 4.481 -10.348 4.865 1.00 0.00 C ATOM 1257 C ALA A 85 5.370 -9.972 6.045 1.00 0.00 C ATOM 1258 O ALA A 85 5.372 -10.634 7.065 1.00 0.00 O ATOM 1259 CB ALA A 85 5.289 -10.284 3.569 1.00 0.00 C ATOM 0 H ALA A 85 3.607 -8.465 4.411 1.00 0.00 H new ATOM 0 HA ALA A 85 4.094 -11.362 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.099 -11.012 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.639 -10.510 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.706 -9.284 3.449 1.00 0.00 H new ATOM 1265 N CYS A 86 6.079 -8.876 5.946 1.00 0.00 N ATOM 1266 CA CYS A 86 6.895 -8.440 7.097 1.00 0.00 C ATOM 1267 C CYS A 86 5.898 -8.134 8.202 1.00 0.00 C ATOM 1268 O CYS A 86 6.238 -7.967 9.357 1.00 0.00 O ATOM 1269 CB CYS A 86 7.684 -7.178 6.730 1.00 0.00 C ATOM 1270 SG CYS A 86 8.645 -7.478 5.226 1.00 0.00 S ATOM 0 H CYS A 86 6.122 -8.276 5.123 1.00 0.00 H new ATOM 0 HA CYS A 86 7.617 -9.198 7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.001 -6.342 6.577 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.348 -6.901 7.549 1.00 0.00 H new ATOM 0 HG CYS A 86 8.428 -6.520 4.374 1.00 0.00 H new ATOM 1275 N GLU A 87 4.648 -8.077 7.825 1.00 0.00 N ATOM 1276 CA GLU A 87 3.562 -7.800 8.798 1.00 0.00 C ATOM 1277 C GLU A 87 3.942 -6.590 9.656 1.00 0.00 C ATOM 1278 O GLU A 87 4.099 -6.677 10.857 1.00 0.00 O ATOM 1279 CB GLU A 87 3.345 -9.052 9.647 1.00 0.00 C ATOM 1280 CG GLU A 87 1.926 -9.591 9.436 1.00 0.00 C ATOM 1281 CD GLU A 87 0.918 -8.663 10.116 1.00 0.00 C ATOM 1282 OE1 GLU A 87 -0.209 -8.602 9.652 1.00 0.00 O ATOM 1283 OE2 GLU A 87 1.291 -8.028 11.088 1.00 0.00 O ATOM 0 H GLU A 87 4.333 -8.214 6.865 1.00 0.00 H new ATOM 0 HA GLU A 87 2.630 -7.560 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.076 -9.815 9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.501 -8.818 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.708 -9.663 8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.844 -10.597 9.847 1.00 0.00 H new ATOM 1290 N LYS A 88 4.082 -5.454 9.028 1.00 0.00 N ATOM 1291 CA LYS A 88 4.440 -4.214 9.774 1.00 0.00 C ATOM 1292 C LYS A 88 4.072 -3.003 8.917 1.00 0.00 C ATOM 1293 O LYS A 88 3.502 -3.141 7.855 1.00 0.00 O ATOM 1294 CB LYS A 88 5.944 -4.201 10.058 1.00 0.00 C ATOM 1295 CG LYS A 88 6.696 -4.682 8.817 1.00 0.00 C ATOM 1296 CD LYS A 88 8.199 -4.448 9.001 1.00 0.00 C ATOM 1297 CE LYS A 88 8.742 -5.382 10.088 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.514 -4.771 11.428 1.00 0.00 N ATOM 0 H LYS A 88 3.963 -5.331 8.022 1.00 0.00 H new ATOM 0 HA LYS A 88 3.898 -4.180 10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.267 -3.195 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.171 -4.845 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.501 -5.741 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.340 -4.149 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.722 -4.627 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.383 -3.409 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.247 -6.351 10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.807 -5.558 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.411 -4.741 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.149 -3.804 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.823 -5.341 11.956 1.00 0.00 H new ATOM 1312 N GLU A 89 4.394 -1.820 9.366 1.00 0.00 N ATOM 1313 CA GLU A 89 4.066 -0.593 8.578 1.00 0.00 C ATOM 1314 C GLU A 89 5.370 0.036 8.080 1.00 0.00 C ATOM 1315 O GLU A 89 6.368 0.022 8.771 1.00 0.00 O ATOM 1316 CB GLU A 89 3.318 0.398 9.486 1.00 0.00 C ATOM 1317 CG GLU A 89 2.040 0.896 8.798 1.00 0.00 C ATOM 1318 CD GLU A 89 1.073 1.440 9.852 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.537 2.095 10.772 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.114 1.191 9.723 1.00 0.00 O ATOM 0 H GLU A 89 4.873 -1.648 10.250 1.00 0.00 H new ATOM 0 HA GLU A 89 3.436 -0.845 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.066 -0.084 10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.964 1.243 9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.283 1.675 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.571 0.082 8.244 1.00 0.00 H new ATOM 1327 N VAL A 90 5.387 0.584 6.887 1.00 0.00 N ATOM 1328 CA VAL A 90 6.658 1.191 6.391 1.00 0.00 C ATOM 1329 C VAL A 90 6.357 2.385 5.478 1.00 0.00 C ATOM 1330 O VAL A 90 5.397 2.401 4.747 1.00 0.00 O ATOM 1331 CB VAL A 90 7.467 0.127 5.624 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.539 -0.469 6.541 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.530 -0.992 5.156 1.00 0.00 C ATOM 0 H VAL A 90 4.593 0.636 6.249 1.00 0.00 H new ATOM 0 HA VAL A 90 7.241 1.546 7.241 1.00 0.00 H new ATOM 0 HB VAL A 90 7.943 0.594 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.108 -1.221 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.210 0.321 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.062 -0.932 7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.103 -1.744 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.054 -1.453 6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.766 -0.576 4.500 1.00 0.00 H new ATOM 1343 N PHE A 91 7.192 3.382 5.519 1.00 0.00 N ATOM 1344 CA PHE A 91 6.994 4.584 4.660 1.00 0.00 C ATOM 1345 C PHE A 91 7.968 4.518 3.499 1.00 0.00 C ATOM 1346 O PHE A 91 8.886 3.722 3.497 1.00 0.00 O ATOM 1347 CB PHE A 91 7.318 5.853 5.442 1.00 0.00 C ATOM 1348 CG PHE A 91 6.361 6.012 6.600 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.409 7.039 6.585 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.429 5.137 7.692 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.524 7.190 7.660 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.543 5.288 8.765 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.592 6.314 8.750 1.00 0.00 C ATOM 0 H PHE A 91 8.016 3.417 6.119 1.00 0.00 H new ATOM 0 HA PHE A 91 5.958 4.603 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.343 5.810 5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.252 6.720 4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.357 7.715 5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.165 4.346 7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.790 7.982 7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.594 4.612 9.605 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.910 6.430 9.579 1.00 0.00 H new