USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 684 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 13 SER OG : rot 111:sc= 0.0263 USER MOD Set 1.2: A 54 TYR OH : rot -29:sc= 1.1 USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0.032 X(o=1.2,f=1.1) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0644 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 50:sc= 1.27 USER MOD Single : A 5 SER OG : rot -6:sc= 0.945 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 171:sc= 0 (180deg=-0.0773) USER MOD Single : A 14 SER OG : rot -100:sc= -0.142 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.00976 X(o=-0.0098,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 150:sc= -0.192 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00468 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.271 USER MOD Single : A 35 LYS NZ :NH3+ -117:sc= 0.141 (180deg=-0.746) USER MOD Single : A 36 CYS SG : rot -3:sc= 1.3 USER MOD Single : A 37 LYS NZ :NH3+ -132:sc= -1.6 (180deg=-3.74!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -7:sc= -0.105 USER MOD Single : A 49 MET CE :methyl -149:sc= -5.27! (180deg=-6.29!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 23:sc= 0.0129 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 CYS SG : rot 149:sc= -4.59 USER MOD Single : A 87 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.5) USER MOD Single : A 88 SER OG : rot 120:sc= -1.11 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.195 -13.967 -1.917 1.00 0.00 N ATOM 2 CA GLY A 1 0.674 -15.086 -1.150 1.00 0.00 C ATOM 3 C GLY A 1 -0.464 -14.637 -0.231 1.00 0.00 C ATOM 4 O GLY A 1 -0.572 -13.457 0.100 1.00 0.00 O ATOM 0 H1 GLY A 1 0.990 -14.113 -2.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.745 -13.086 -1.596 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.224 -13.900 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.315 -15.861 -1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.474 -15.528 -0.556 1.00 0.00 H new ATOM 8 N SER A 2 -1.284 -15.603 0.156 1.00 0.00 N ATOM 9 CA SER A 2 -2.410 -15.323 1.031 1.00 0.00 C ATOM 10 C SER A 2 -2.150 -15.905 2.422 1.00 0.00 C ATOM 11 O SER A 2 -1.644 -17.019 2.548 1.00 0.00 O ATOM 12 CB SER A 2 -3.710 -15.887 0.454 1.00 0.00 C ATOM 13 OG SER A 2 -4.494 -14.881 -0.181 1.00 0.00 O ATOM 0 H SER A 2 -1.191 -16.580 -0.120 1.00 0.00 H new ATOM 0 HA SER A 2 -2.519 -14.241 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.477 -16.672 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.291 -16.349 1.253 1.00 0.00 H new ATOM 0 HG SER A 2 -5.314 -15.282 -0.537 1.00 0.00 H new ATOM 19 N SER A 3 -2.508 -15.125 3.431 1.00 0.00 N ATOM 20 CA SER A 3 -2.320 -15.550 4.808 1.00 0.00 C ATOM 21 C SER A 3 -2.841 -14.474 5.763 1.00 0.00 C ATOM 22 O SER A 3 -3.098 -13.344 5.350 1.00 0.00 O ATOM 23 CB SER A 3 -0.847 -15.847 5.096 1.00 0.00 C ATOM 24 OG SER A 3 -0.532 -17.223 4.903 1.00 0.00 O ATOM 0 H SER A 3 -2.927 -14.201 3.323 1.00 0.00 H new ATOM 0 HA SER A 3 -2.885 -16.469 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.220 -15.237 4.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.614 -15.562 6.122 1.00 0.00 H new ATOM 0 HG SER A 3 -0.859 -17.514 4.026 1.00 0.00 H new ATOM 30 N GLY A 4 -2.981 -14.863 7.022 1.00 0.00 N ATOM 31 CA GLY A 4 -3.467 -13.946 8.039 1.00 0.00 C ATOM 32 C GLY A 4 -2.829 -14.245 9.397 1.00 0.00 C ATOM 33 O GLY A 4 -3.250 -15.166 10.095 1.00 0.00 O ATOM 0 H GLY A 4 -2.766 -15.801 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.243 -12.920 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.551 -14.026 8.117 1.00 0.00 H new ATOM 37 N SER A 5 -1.824 -13.449 9.731 1.00 0.00 N ATOM 38 CA SER A 5 -1.124 -13.617 10.993 1.00 0.00 C ATOM 39 C SER A 5 -0.040 -12.546 11.137 1.00 0.00 C ATOM 40 O SER A 5 0.949 -12.557 10.406 1.00 0.00 O ATOM 41 CB SER A 5 -0.507 -15.014 11.099 1.00 0.00 C ATOM 42 OG SER A 5 0.750 -15.094 10.433 1.00 0.00 O ATOM 0 H SER A 5 -1.478 -12.686 9.149 1.00 0.00 H new ATOM 0 HA SER A 5 -1.846 -13.505 11.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.378 -15.275 12.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.192 -15.746 10.671 1.00 0.00 H new ATOM 0 HG SER A 5 0.922 -14.254 9.958 1.00 0.00 H new ATOM 48 N SER A 6 -0.264 -11.648 12.084 1.00 0.00 N ATOM 49 CA SER A 6 0.681 -10.572 12.334 1.00 0.00 C ATOM 50 C SER A 6 0.950 -9.802 11.039 1.00 0.00 C ATOM 51 O SER A 6 1.707 -10.262 10.185 1.00 0.00 O ATOM 52 CB SER A 6 1.990 -11.112 12.912 1.00 0.00 C ATOM 53 OG SER A 6 1.763 -12.052 13.959 1.00 0.00 O ATOM 0 H SER A 6 -1.086 -11.643 12.688 1.00 0.00 H new ATOM 0 HA SER A 6 0.243 -9.895 13.068 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.569 -11.585 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.588 -10.283 13.292 1.00 0.00 H new ATOM 0 HG SER A 6 2.623 -12.375 14.301 1.00 0.00 H new ATOM 59 N GLY A 7 0.316 -8.644 10.935 1.00 0.00 N ATOM 60 CA GLY A 7 0.478 -7.805 9.759 1.00 0.00 C ATOM 61 C GLY A 7 0.874 -6.380 10.152 1.00 0.00 C ATOM 62 O GLY A 7 1.314 -6.142 11.275 1.00 0.00 O ATOM 0 H GLY A 7 -0.311 -8.266 11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.240 -8.231 9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.453 -7.784 9.192 1.00 0.00 H new ATOM 66 N VAL A 8 0.702 -5.470 9.204 1.00 0.00 N ATOM 67 CA VAL A 8 1.035 -4.076 9.437 1.00 0.00 C ATOM 68 C VAL A 8 -0.104 -3.191 8.925 1.00 0.00 C ATOM 69 O VAL A 8 -0.563 -3.356 7.795 1.00 0.00 O ATOM 70 CB VAL A 8 2.384 -3.745 8.794 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.522 -3.879 9.809 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.636 -4.624 7.568 1.00 0.00 C ATOM 0 H VAL A 8 0.336 -5.672 8.273 1.00 0.00 H new ATOM 0 HA VAL A 8 1.142 -3.883 10.504 1.00 0.00 H new ATOM 0 HB VAL A 8 2.352 -2.707 8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.470 -3.638 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.352 -3.193 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.556 -4.901 10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.601 -4.369 7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.639 -5.672 7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.848 -4.458 6.833 1.00 0.00 H new ATOM 82 N MET A 9 -0.527 -2.272 9.780 1.00 0.00 N ATOM 83 CA MET A 9 -1.603 -1.361 9.428 1.00 0.00 C ATOM 84 C MET A 9 -1.050 -0.053 8.859 1.00 0.00 C ATOM 85 O MET A 9 -0.454 0.741 9.584 1.00 0.00 O ATOM 86 CB MET A 9 -2.446 -1.063 10.669 1.00 0.00 C ATOM 87 CG MET A 9 -3.536 -2.119 10.859 1.00 0.00 C ATOM 88 SD MET A 9 -3.885 -2.331 12.597 1.00 0.00 S ATOM 89 CE MET A 9 -4.605 -0.740 12.965 1.00 0.00 C ATOM 0 H MET A 9 -0.144 -2.138 10.716 1.00 0.00 H new ATOM 0 HA MET A 9 -2.220 -1.835 8.664 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.805 -1.035 11.550 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.902 -0.078 10.575 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.441 -1.818 10.332 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.215 -3.066 10.426 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.027 -0.755 13.970 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.836 0.030 12.906 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.393 -0.522 12.244 1.00 0.00 H new ATOM 99 N VAL A 10 -1.269 0.131 7.565 1.00 0.00 N ATOM 100 CA VAL A 10 -0.800 1.329 6.890 1.00 0.00 C ATOM 101 C VAL A 10 -2.003 2.150 6.422 1.00 0.00 C ATOM 102 O VAL A 10 -3.064 1.596 6.137 1.00 0.00 O ATOM 103 CB VAL A 10 0.146 0.951 5.748 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.408 0.272 6.284 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.561 0.062 4.723 1.00 0.00 C ATOM 0 H VAL A 10 -1.765 -0.529 6.966 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.227 1.953 7.576 1.00 0.00 H new ATOM 0 HB VAL A 10 0.448 1.869 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.063 0.014 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.929 0.952 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.132 -0.634 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.133 -0.192 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.905 -0.851 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.416 0.595 4.307 1.00 0.00 H new ATOM 115 N PHE A 11 -1.799 3.457 6.357 1.00 0.00 N ATOM 116 CA PHE A 11 -2.854 4.360 5.929 1.00 0.00 C ATOM 117 C PHE A 11 -2.783 4.609 4.421 1.00 0.00 C ATOM 118 O PHE A 11 -1.942 5.376 3.954 1.00 0.00 O ATOM 119 CB PHE A 11 -2.636 5.684 6.664 1.00 0.00 C ATOM 120 CG PHE A 11 -3.156 5.690 8.102 1.00 0.00 C ATOM 121 CD1 PHE A 11 -2.373 5.220 9.110 1.00 0.00 C ATOM 122 CD2 PHE A 11 -4.401 6.165 8.373 1.00 0.00 C ATOM 123 CE1 PHE A 11 -2.856 5.225 10.446 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.884 6.170 9.709 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.101 5.701 10.717 1.00 0.00 C ATOM 0 H PHE A 11 -0.918 3.913 6.594 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.829 3.927 6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.570 5.911 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.128 6.482 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.384 4.843 8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.023 6.538 7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.235 4.851 11.246 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.873 6.546 9.924 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.468 5.706 11.733 1.00 0.00 H new ATOM 135 N ILE A 12 -3.677 3.947 3.701 1.00 0.00 N ATOM 136 CA ILE A 12 -3.726 4.088 2.256 1.00 0.00 C ATOM 137 C ILE A 12 -4.550 5.326 1.896 1.00 0.00 C ATOM 138 O ILE A 12 -5.570 5.602 2.525 1.00 0.00 O ATOM 139 CB ILE A 12 -4.239 2.799 1.609 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.528 1.575 2.189 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.118 2.864 0.085 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.178 1.349 1.505 1.00 0.00 C ATOM 0 H ILE A 12 -4.373 3.312 4.092 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.725 4.243 1.854 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.299 2.697 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.379 1.711 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.155 0.692 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.489 1.936 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.706 3.701 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.073 3.001 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.694 0.473 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.333 1.190 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.544 2.223 1.653 1.00 0.00 H new ATOM 154 N SER A 13 -4.075 6.039 0.885 1.00 0.00 N ATOM 155 CA SER A 13 -4.755 7.242 0.434 1.00 0.00 C ATOM 156 C SER A 13 -4.516 7.448 -1.063 1.00 0.00 C ATOM 157 O SER A 13 -3.634 6.819 -1.647 1.00 0.00 O ATOM 158 CB SER A 13 -4.285 8.468 1.220 1.00 0.00 C ATOM 159 OG SER A 13 -2.870 8.483 1.390 1.00 0.00 O ATOM 0 H SER A 13 -3.228 5.807 0.366 1.00 0.00 H new ATOM 0 HA SER A 13 -5.823 7.118 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.597 9.374 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.768 8.479 2.197 1.00 0.00 H new ATOM 0 HG SER A 13 -2.485 9.213 0.862 1.00 0.00 H new ATOM 165 N SER A 14 -5.317 8.330 -1.642 1.00 0.00 N ATOM 166 CA SER A 14 -5.204 8.627 -3.060 1.00 0.00 C ATOM 167 C SER A 14 -5.748 10.028 -3.347 1.00 0.00 C ATOM 168 O SER A 14 -6.638 10.507 -2.646 1.00 0.00 O ATOM 169 CB SER A 14 -5.946 7.586 -3.901 1.00 0.00 C ATOM 170 OG SER A 14 -7.349 7.830 -3.936 1.00 0.00 O ATOM 0 H SER A 14 -6.047 8.849 -1.155 1.00 0.00 H new ATOM 0 HA SER A 14 -4.150 8.591 -3.334 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.551 7.593 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.761 6.592 -3.494 1.00 0.00 H new ATOM 0 HG SER A 14 -7.800 7.237 -3.300 1.00 0.00 H new ATOM 176 N SER A 15 -5.192 10.644 -4.379 1.00 0.00 N ATOM 177 CA SER A 15 -5.610 11.980 -4.767 1.00 0.00 C ATOM 178 C SER A 15 -7.109 11.990 -5.077 1.00 0.00 C ATOM 179 O SER A 15 -7.759 13.030 -4.984 1.00 0.00 O ATOM 180 CB SER A 15 -4.815 12.477 -5.976 1.00 0.00 C ATOM 181 OG SER A 15 -5.085 13.846 -6.266 1.00 0.00 O ATOM 0 H SER A 15 -4.455 10.242 -4.959 1.00 0.00 H new ATOM 0 HA SER A 15 -5.413 12.655 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.749 12.350 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.059 11.867 -6.846 1.00 0.00 H new ATOM 0 HG SER A 15 -4.557 14.126 -7.043 1.00 0.00 H new ATOM 187 N LEU A 16 -7.613 10.819 -5.439 1.00 0.00 N ATOM 188 CA LEU A 16 -9.022 10.680 -5.763 1.00 0.00 C ATOM 189 C LEU A 16 -9.861 11.011 -4.527 1.00 0.00 C ATOM 190 O LEU A 16 -10.732 11.878 -4.578 1.00 0.00 O ATOM 191 CB LEU A 16 -9.304 9.292 -6.343 1.00 0.00 C ATOM 192 CG LEU A 16 -8.481 8.899 -7.572 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.006 7.448 -7.472 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.262 9.159 -8.861 1.00 0.00 C ATOM 0 H LEU A 16 -7.071 9.958 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.305 11.389 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.131 8.552 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.361 9.237 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.591 9.528 -7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.424 7.194 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.386 7.329 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.870 6.786 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.654 8.871 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.181 8.573 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.508 10.219 -8.930 1.00 0.00 H new ATOM 206 N ASN A 17 -9.568 10.304 -3.446 1.00 0.00 N ATOM 207 CA ASN A 17 -10.284 10.512 -2.199 1.00 0.00 C ATOM 208 C ASN A 17 -9.433 11.375 -1.265 1.00 0.00 C ATOM 209 O ASN A 17 -8.348 10.967 -0.854 1.00 0.00 O ATOM 210 CB ASN A 17 -10.561 9.183 -1.494 1.00 0.00 C ATOM 211 CG ASN A 17 -11.363 8.241 -2.394 1.00 0.00 C ATOM 212 OD1 ASN A 17 -12.533 8.452 -2.670 1.00 0.00 O ATOM 213 ND2 ASN A 17 -10.672 7.194 -2.834 1.00 0.00 N ATOM 0 H ASN A 17 -8.844 9.586 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.230 11.000 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.618 8.711 -1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.111 9.365 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.119 6.507 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.695 7.078 -2.564 1.00 0.00 H new ATOM 220 N SER A 18 -9.957 12.552 -0.956 1.00 0.00 N ATOM 221 CA SER A 18 -9.259 13.475 -0.078 1.00 0.00 C ATOM 222 C SER A 18 -9.355 12.994 1.371 1.00 0.00 C ATOM 223 O SER A 18 -10.050 13.599 2.185 1.00 0.00 O ATOM 224 CB SER A 18 -9.825 14.891 -0.206 1.00 0.00 C ATOM 225 OG SER A 18 -8.835 15.886 0.040 1.00 0.00 O ATOM 0 H SER A 18 -10.857 12.888 -1.298 1.00 0.00 H new ATOM 0 HA SER A 18 -8.211 13.503 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.236 15.028 -1.206 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.648 15.017 0.497 1.00 0.00 H new ATOM 0 HG SER A 18 -9.235 16.776 -0.053 1.00 0.00 H new ATOM 231 N PHE A 19 -8.647 11.909 1.648 1.00 0.00 N ATOM 232 CA PHE A 19 -8.643 11.339 2.984 1.00 0.00 C ATOM 233 C PHE A 19 -7.699 10.137 3.065 1.00 0.00 C ATOM 234 O PHE A 19 -7.047 9.788 2.083 1.00 0.00 O ATOM 235 CB PHE A 19 -10.071 10.871 3.275 1.00 0.00 C ATOM 236 CG PHE A 19 -10.446 10.905 4.758 1.00 0.00 C ATOM 237 CD1 PHE A 19 -10.578 12.096 5.400 1.00 0.00 C ATOM 238 CD2 PHE A 19 -10.648 9.742 5.434 1.00 0.00 C ATOM 239 CE1 PHE A 19 -10.926 12.127 6.776 1.00 0.00 C ATOM 240 CE2 PHE A 19 -10.997 9.773 6.811 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.129 10.965 7.452 1.00 0.00 C ATOM 0 H PHE A 19 -8.072 11.410 0.970 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.303 12.083 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.768 11.498 2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.192 9.854 2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.418 13.019 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.543 8.796 4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.029 13.074 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.157 8.850 7.348 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.395 10.989 8.498 1.00 0.00 H new ATOM 251 N ARG A 20 -7.657 9.537 4.246 1.00 0.00 N ATOM 252 CA ARG A 20 -6.804 8.382 4.468 1.00 0.00 C ATOM 253 C ARG A 20 -7.633 7.198 4.970 1.00 0.00 C ATOM 254 O ARG A 20 -8.483 7.358 5.845 1.00 0.00 O ATOM 255 CB ARG A 20 -5.706 8.696 5.487 1.00 0.00 C ATOM 256 CG ARG A 20 -4.720 9.725 4.931 1.00 0.00 C ATOM 257 CD ARG A 20 -5.218 11.150 5.178 1.00 0.00 C ATOM 258 NE ARG A 20 -4.335 12.120 4.493 1.00 0.00 N ATOM 259 CZ ARG A 20 -4.313 13.434 4.758 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.126 13.942 5.695 1.00 0.00 N ATOM 261 NH2 ARG A 20 -3.479 14.239 4.086 1.00 0.00 N ATOM 0 H ARG A 20 -8.200 9.829 5.059 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.338 8.126 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.155 9.076 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.174 7.781 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.745 9.590 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.585 9.563 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.240 11.255 4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.238 11.357 6.248 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.703 11.767 3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.761 13.329 6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.110 14.942 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.861 13.852 3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.462 15.239 4.288 1.00 0.00 H new ATOM 275 N SER A 21 -7.357 6.037 4.395 1.00 0.00 N ATOM 276 CA SER A 21 -8.067 4.827 4.773 1.00 0.00 C ATOM 277 C SER A 21 -7.204 3.987 5.717 1.00 0.00 C ATOM 278 O SER A 21 -6.019 4.265 5.892 1.00 0.00 O ATOM 279 CB SER A 21 -8.457 4.009 3.541 1.00 0.00 C ATOM 280 OG SER A 21 -9.741 4.374 3.042 1.00 0.00 O ATOM 0 H SER A 21 -6.651 5.908 3.670 1.00 0.00 H new ATOM 0 HA SER A 21 -8.983 5.115 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.710 4.152 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.454 2.949 3.794 1.00 0.00 H new ATOM 0 HG SER A 21 -9.953 3.830 2.255 1.00 0.00 H new ATOM 286 N GLU A 22 -7.832 2.977 6.300 1.00 0.00 N ATOM 287 CA GLU A 22 -7.137 2.094 7.221 1.00 0.00 C ATOM 288 C GLU A 22 -7.227 0.645 6.739 1.00 0.00 C ATOM 289 O GLU A 22 -8.234 -0.025 6.963 1.00 0.00 O ATOM 290 CB GLU A 22 -7.691 2.236 8.640 1.00 0.00 C ATOM 291 CG GLU A 22 -6.748 1.599 9.663 1.00 0.00 C ATOM 292 CD GLU A 22 -7.039 2.116 11.073 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.943 3.348 11.257 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.351 1.267 11.936 1.00 0.00 O ATOM 0 H GLU A 22 -8.815 2.750 6.152 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.086 2.382 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.830 3.291 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.672 1.764 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.859 0.515 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.714 1.820 9.397 1.00 0.00 H new ATOM 301 N LYS A 23 -6.162 0.205 6.085 1.00 0.00 N ATOM 302 CA LYS A 23 -6.109 -1.153 5.570 1.00 0.00 C ATOM 303 C LYS A 23 -4.915 -1.883 6.188 1.00 0.00 C ATOM 304 O LYS A 23 -4.115 -1.278 6.900 1.00 0.00 O ATOM 305 CB LYS A 23 -6.099 -1.145 4.040 1.00 0.00 C ATOM 306 CG LYS A 23 -7.513 -0.961 3.483 1.00 0.00 C ATOM 307 CD LYS A 23 -8.057 -2.277 2.924 1.00 0.00 C ATOM 308 CE LYS A 23 -9.122 -2.020 1.856 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.318 -2.855 2.105 1.00 0.00 N ATOM 0 H LYS A 23 -5.329 0.764 5.900 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.004 -1.704 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.456 -0.342 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.678 -2.080 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.173 -0.595 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.503 -0.205 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.241 -2.860 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.483 -2.871 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.400 -0.966 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.716 -2.241 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.031 -2.668 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.051 -3.860 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.714 -2.625 3.039 1.00 0.00 H new ATOM 323 N ARG A 24 -4.833 -3.172 5.894 1.00 0.00 N ATOM 324 CA ARG A 24 -3.751 -3.990 6.413 1.00 0.00 C ATOM 325 C ARG A 24 -3.204 -4.905 5.315 1.00 0.00 C ATOM 326 O ARG A 24 -3.954 -5.368 4.457 1.00 0.00 O ATOM 327 CB ARG A 24 -4.222 -4.845 7.591 1.00 0.00 C ATOM 328 CG ARG A 24 -3.165 -5.883 7.973 1.00 0.00 C ATOM 329 CD ARG A 24 -3.655 -6.769 9.120 1.00 0.00 C ATOM 330 NE ARG A 24 -3.369 -8.189 8.821 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.011 -8.904 7.886 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.978 -8.334 7.154 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.685 -10.187 7.682 1.00 0.00 N ATOM 0 H ARG A 24 -5.499 -3.670 5.303 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.964 -3.319 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.434 -4.205 8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.153 -5.348 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.928 -6.501 7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.244 -5.379 8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.165 -6.479 10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.726 -6.628 9.267 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.638 -8.653 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.225 -7.357 7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.467 -8.878 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.948 -10.621 8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.174 -10.730 6.971 1.00 0.00 H new ATOM 347 N TYR A 25 -1.901 -5.139 5.378 1.00 0.00 N ATOM 348 CA TYR A 25 -1.246 -5.990 4.400 1.00 0.00 C ATOM 349 C TYR A 25 0.026 -6.613 4.980 1.00 0.00 C ATOM 350 O TYR A 25 0.663 -6.029 5.855 1.00 0.00 O ATOM 351 CB TYR A 25 -0.866 -5.077 3.233 1.00 0.00 C ATOM 352 CG TYR A 25 -2.054 -4.350 2.599 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.975 -5.056 1.851 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.205 -2.990 2.775 1.00 0.00 C ATOM 355 CE1 TYR A 25 -4.093 -4.373 1.254 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.324 -2.307 2.178 1.00 0.00 C ATOM 357 CZ TYR A 25 -4.212 -3.032 1.447 1.00 0.00 C ATOM 358 OH TYR A 25 -5.268 -2.386 0.884 1.00 0.00 O ATOM 0 H TYR A 25 -1.282 -4.754 6.091 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.905 -6.803 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.146 -4.338 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.367 -5.671 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.857 -6.121 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.485 -2.438 3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.821 -4.913 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.455 -1.243 2.308 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.515 -1.617 1.439 1.00 0.00 H new ATOM 368 N SER A 26 0.357 -7.789 4.467 1.00 0.00 N ATOM 369 CA SER A 26 1.542 -8.497 4.923 1.00 0.00 C ATOM 370 C SER A 26 2.801 -7.790 4.418 1.00 0.00 C ATOM 371 O SER A 26 2.814 -7.254 3.310 1.00 0.00 O ATOM 372 CB SER A 26 1.527 -9.953 4.456 1.00 0.00 C ATOM 373 OG SER A 26 2.627 -10.693 4.978 1.00 0.00 O ATOM 0 H SER A 26 -0.174 -8.269 3.741 1.00 0.00 H new ATOM 0 HA SER A 26 1.544 -8.494 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.594 -10.423 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.553 -9.985 3.367 1.00 0.00 H new ATOM 0 HG SER A 26 2.580 -11.618 4.658 1.00 0.00 H new ATOM 379 N ARG A 27 3.829 -7.812 5.253 1.00 0.00 N ATOM 380 CA ARG A 27 5.090 -7.180 4.904 1.00 0.00 C ATOM 381 C ARG A 27 5.821 -8.004 3.842 1.00 0.00 C ATOM 382 O ARG A 27 6.871 -7.595 3.349 1.00 0.00 O ATOM 383 CB ARG A 27 5.990 -7.031 6.133 1.00 0.00 C ATOM 384 CG ARG A 27 5.490 -5.909 7.046 1.00 0.00 C ATOM 385 CD ARG A 27 6.445 -5.692 8.221 1.00 0.00 C ATOM 386 NE ARG A 27 5.869 -6.270 9.455 1.00 0.00 N ATOM 387 CZ ARG A 27 6.311 -5.997 10.690 1.00 0.00 C ATOM 388 NH1 ARG A 27 7.338 -5.154 10.863 1.00 0.00 N ATOM 389 NH2 ARG A 27 5.727 -6.568 11.753 1.00 0.00 N ATOM 0 H ARG A 27 3.815 -8.258 6.170 1.00 0.00 H new ATOM 0 HA ARG A 27 4.866 -6.189 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.015 -7.970 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.011 -6.819 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.395 -4.986 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.497 -6.156 7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.408 -6.156 8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.628 -4.626 8.360 1.00 0.00 H new ATOM 0 HE ARG A 27 5.086 -6.917 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.783 -4.720 10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.674 -4.946 11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.946 -7.211 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.064 -6.360 12.693 1.00 0.00 H new ATOM 403 N SER A 28 5.237 -9.149 3.522 1.00 0.00 N ATOM 404 CA SER A 28 5.820 -10.034 2.528 1.00 0.00 C ATOM 405 C SER A 28 5.226 -9.735 1.149 1.00 0.00 C ATOM 406 O SER A 28 5.679 -10.279 0.144 1.00 0.00 O ATOM 407 CB SER A 28 5.593 -11.501 2.896 1.00 0.00 C ATOM 408 OG SER A 28 6.779 -12.278 2.748 1.00 0.00 O ATOM 0 H SER A 28 4.366 -9.484 3.933 1.00 0.00 H new ATOM 0 HA SER A 28 6.895 -9.856 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.243 -11.566 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.807 -11.916 2.265 1.00 0.00 H new ATOM 0 HG SER A 28 6.593 -13.208 2.994 1.00 0.00 H new ATOM 414 N LEU A 29 4.221 -8.871 1.148 1.00 0.00 N ATOM 415 CA LEU A 29 3.561 -8.494 -0.091 1.00 0.00 C ATOM 416 C LEU A 29 4.504 -7.620 -0.920 1.00 0.00 C ATOM 417 O LEU A 29 4.931 -6.558 -0.468 1.00 0.00 O ATOM 418 CB LEU A 29 2.211 -7.837 0.201 1.00 0.00 C ATOM 419 CG LEU A 29 0.994 -8.765 0.175 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.301 -7.977 0.377 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.965 -9.595 -1.110 1.00 0.00 C ATOM 0 H LEU A 29 3.848 -8.422 1.984 1.00 0.00 H new ATOM 0 HA LEU A 29 3.337 -9.378 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.263 -7.366 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.052 -7.041 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 29 1.079 -9.463 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.150 -8.660 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.271 -7.468 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.407 -7.240 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.091 -10.246 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.915 -8.930 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.868 -10.202 -1.172 1.00 0.00 H new ATOM 433 N THR A 30 4.801 -8.098 -2.119 1.00 0.00 N ATOM 434 CA THR A 30 5.685 -7.373 -3.016 1.00 0.00 C ATOM 435 C THR A 30 4.994 -6.115 -3.545 1.00 0.00 C ATOM 436 O THR A 30 3.823 -6.157 -3.920 1.00 0.00 O ATOM 437 CB THR A 30 6.128 -8.333 -4.122 1.00 0.00 C ATOM 438 OG1 THR A 30 4.992 -8.427 -4.976 1.00 0.00 O ATOM 439 CG2 THR A 30 6.329 -9.762 -3.611 1.00 0.00 C ATOM 0 H THR A 30 4.445 -8.979 -2.491 1.00 0.00 H new ATOM 0 HA THR A 30 6.575 -7.022 -2.494 1.00 0.00 H new ATOM 0 HB THR A 30 7.056 -7.972 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.193 -9.030 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.643 -10.402 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.095 -9.767 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.392 -10.136 -3.198 1.00 0.00 H new ATOM 447 N ILE A 31 5.748 -5.025 -3.559 1.00 0.00 N ATOM 448 CA ILE A 31 5.222 -3.758 -4.036 1.00 0.00 C ATOM 449 C ILE A 31 4.268 -4.013 -5.204 1.00 0.00 C ATOM 450 O ILE A 31 3.169 -3.462 -5.246 1.00 0.00 O ATOM 451 CB ILE A 31 6.364 -2.797 -4.372 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.340 -2.673 -3.200 1.00 0.00 C ATOM 453 CG2 ILE A 31 5.823 -1.435 -4.814 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.589 -2.537 -1.874 1.00 0.00 C ATOM 0 H ILE A 31 6.719 -4.994 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 31 4.643 -3.267 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 31 6.921 -3.210 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.988 -3.549 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.984 -1.806 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.655 -0.771 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.200 -1.561 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.227 -1.002 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.306 -2.451 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.961 -1.647 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.965 -3.417 -1.717 1.00 0.00 H new ATOM 466 N ALA A 32 4.724 -4.849 -6.126 1.00 0.00 N ATOM 467 CA ALA A 32 3.925 -5.184 -7.293 1.00 0.00 C ATOM 468 C ALA A 32 2.559 -5.703 -6.838 1.00 0.00 C ATOM 469 O ALA A 32 1.524 -5.186 -7.257 1.00 0.00 O ATOM 470 CB ALA A 32 4.678 -6.201 -8.152 1.00 0.00 C ATOM 0 H ALA A 32 5.636 -5.304 -6.088 1.00 0.00 H new ATOM 0 HA ALA A 32 3.754 -4.300 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.079 -6.452 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.628 -5.774 -8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.864 -7.103 -7.569 1.00 0.00 H new ATOM 476 N GLU A 33 2.600 -6.717 -5.987 1.00 0.00 N ATOM 477 CA GLU A 33 1.379 -7.311 -5.471 1.00 0.00 C ATOM 478 C GLU A 33 0.585 -6.279 -4.667 1.00 0.00 C ATOM 479 O GLU A 33 -0.602 -6.073 -4.916 1.00 0.00 O ATOM 480 CB GLU A 33 1.686 -8.548 -4.624 1.00 0.00 C ATOM 481 CG GLU A 33 2.171 -9.705 -5.499 1.00 0.00 C ATOM 482 CD GLU A 33 1.006 -10.610 -5.907 1.00 0.00 C ATOM 483 OE1 GLU A 33 0.233 -10.177 -6.788 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.916 -11.714 -5.329 1.00 0.00 O ATOM 0 H GLU A 33 3.460 -7.143 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 33 0.769 -7.632 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.446 -8.305 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.792 -8.850 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.660 -9.311 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.916 -10.288 -4.958 1.00 0.00 H new ATOM 491 N PHE A 34 1.272 -5.659 -3.719 1.00 0.00 N ATOM 492 CA PHE A 34 0.646 -4.654 -2.877 1.00 0.00 C ATOM 493 C PHE A 34 -0.244 -3.724 -3.704 1.00 0.00 C ATOM 494 O PHE A 34 -1.408 -3.511 -3.366 1.00 0.00 O ATOM 495 CB PHE A 34 1.773 -3.834 -2.246 1.00 0.00 C ATOM 496 CG PHE A 34 1.290 -2.767 -1.262 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.025 -2.822 -0.765 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.126 -1.763 -0.883 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.423 -1.831 0.148 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.678 -0.772 0.030 1.00 0.00 C ATOM 501 CZ PHE A 34 0.413 -0.827 0.526 1.00 0.00 C ATOM 0 H PHE A 34 2.256 -5.833 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 34 0.022 -5.135 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.454 -4.509 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.345 -3.351 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.639 -3.619 -1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.131 -1.720 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.428 -1.875 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.342 0.025 0.330 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.072 -0.073 1.220 1.00 0.00 H new ATOM 511 N LYS A 35 0.337 -3.194 -4.770 1.00 0.00 N ATOM 512 CA LYS A 35 -0.389 -2.292 -5.647 1.00 0.00 C ATOM 513 C LYS A 35 -1.683 -2.966 -6.108 1.00 0.00 C ATOM 514 O LYS A 35 -2.712 -2.309 -6.253 1.00 0.00 O ATOM 515 CB LYS A 35 0.506 -1.827 -6.798 1.00 0.00 C ATOM 516 CG LYS A 35 1.777 -1.159 -6.269 1.00 0.00 C ATOM 517 CD LYS A 35 2.935 -1.326 -7.255 1.00 0.00 C ATOM 518 CE LYS A 35 3.900 -0.141 -7.172 1.00 0.00 C ATOM 519 NZ LYS A 35 4.917 -0.225 -8.244 1.00 0.00 N ATOM 0 H LYS A 35 1.303 -3.372 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.674 -1.387 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.772 -2.679 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.041 -1.127 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.591 -0.099 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.048 -1.595 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.470 -2.251 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.545 -1.412 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.346 0.794 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.389 -0.130 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.861 -0.328 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.717 -1.048 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.888 0.642 -8.818 1.00 0.00 H new ATOM 533 N CYS A 36 -1.588 -4.270 -6.326 1.00 0.00 N ATOM 534 CA CYS A 36 -2.738 -5.041 -6.767 1.00 0.00 C ATOM 535 C CYS A 36 -3.841 -4.903 -5.716 1.00 0.00 C ATOM 536 O CYS A 36 -5.023 -4.874 -6.052 1.00 0.00 O ATOM 537 CB CYS A 36 -2.373 -6.504 -7.024 1.00 0.00 C ATOM 538 SG CYS A 36 -2.905 -6.996 -8.705 1.00 0.00 S ATOM 0 H CYS A 36 -0.732 -4.812 -6.205 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.096 -4.652 -7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.297 -6.643 -6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.851 -7.143 -6.281 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.538 -6.009 -9.266 1.00 0.00 H new ATOM 544 N LYS A 37 -3.414 -4.823 -4.464 1.00 0.00 N ATOM 545 CA LYS A 37 -4.350 -4.689 -3.361 1.00 0.00 C ATOM 546 C LYS A 37 -4.953 -3.283 -3.377 1.00 0.00 C ATOM 547 O LYS A 37 -6.114 -3.097 -3.016 1.00 0.00 O ATOM 548 CB LYS A 37 -3.675 -5.055 -2.038 1.00 0.00 C ATOM 549 CG LYS A 37 -3.606 -6.573 -1.859 1.00 0.00 C ATOM 550 CD LYS A 37 -2.312 -7.136 -2.449 1.00 0.00 C ATOM 551 CE LYS A 37 -2.442 -8.635 -2.725 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.521 -9.045 -3.808 1.00 0.00 N ATOM 0 H LYS A 37 -2.432 -4.848 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.176 -5.391 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.669 -4.636 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.227 -4.612 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.665 -6.821 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.464 -7.039 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.072 -6.612 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.487 -6.960 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.220 -9.198 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.469 -8.872 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.036 -9.624 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.139 -8.199 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.739 -9.601 -3.407 1.00 0.00 H new ATOM 566 N LEU A 38 -4.136 -2.328 -3.798 1.00 0.00 N ATOM 567 CA LEU A 38 -4.573 -0.945 -3.865 1.00 0.00 C ATOM 568 C LEU A 38 -5.579 -0.787 -5.008 1.00 0.00 C ATOM 569 O LEU A 38 -6.449 0.081 -4.958 1.00 0.00 O ATOM 570 CB LEU A 38 -3.369 -0.007 -3.972 1.00 0.00 C ATOM 571 CG LEU A 38 -2.214 -0.285 -3.007 1.00 0.00 C ATOM 572 CD1 LEU A 38 -0.994 0.571 -3.352 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.656 -0.096 -1.555 1.00 0.00 C ATOM 0 H LEU A 38 -3.173 -2.486 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.087 -0.663 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.985 -0.056 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.714 1.014 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.917 -1.328 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.188 0.354 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.665 0.343 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.259 1.626 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.817 -0.300 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.995 0.930 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.472 -0.783 -1.331 1.00 0.00 H new ATOM 585 N GLU A 39 -5.426 -1.640 -6.010 1.00 0.00 N ATOM 586 CA GLU A 39 -6.309 -1.606 -7.163 1.00 0.00 C ATOM 587 C GLU A 39 -7.771 -1.610 -6.711 1.00 0.00 C ATOM 588 O GLU A 39 -8.641 -1.091 -7.409 1.00 0.00 O ATOM 589 CB GLU A 39 -6.024 -2.775 -8.107 1.00 0.00 C ATOM 590 CG GLU A 39 -4.658 -2.618 -8.777 1.00 0.00 C ATOM 591 CD GLU A 39 -4.505 -3.593 -9.946 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.247 -3.414 -10.936 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.649 -4.496 -9.824 1.00 0.00 O ATOM 0 H GLU A 39 -4.703 -2.359 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.121 -0.684 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.055 -3.712 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.802 -2.830 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.540 -1.595 -9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.868 -2.794 -8.046 1.00 0.00 H new ATOM 600 N LEU A 40 -7.996 -2.201 -5.547 1.00 0.00 N ATOM 601 CA LEU A 40 -9.337 -2.279 -4.994 1.00 0.00 C ATOM 602 C LEU A 40 -9.571 -1.088 -4.062 1.00 0.00 C ATOM 603 O LEU A 40 -10.699 -0.619 -3.919 1.00 0.00 O ATOM 604 CB LEU A 40 -9.563 -3.636 -4.325 1.00 0.00 C ATOM 605 CG LEU A 40 -9.879 -3.602 -2.829 1.00 0.00 C ATOM 606 CD1 LEU A 40 -11.321 -3.154 -2.583 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.579 -4.952 -2.174 1.00 0.00 C ATOM 0 H LEU A 40 -7.272 -2.631 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.080 -2.213 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.383 -4.140 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.671 -4.245 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.228 -2.864 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.519 -3.139 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.467 -2.155 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.006 -3.849 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.812 -4.900 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.187 -5.726 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.524 -5.192 -2.302 1.00 0.00 H new ATOM 619 N VAL A 41 -8.486 -0.633 -3.453 1.00 0.00 N ATOM 620 CA VAL A 41 -8.558 0.495 -2.539 1.00 0.00 C ATOM 621 C VAL A 41 -8.941 1.754 -3.319 1.00 0.00 C ATOM 622 O VAL A 41 -9.878 2.459 -2.946 1.00 0.00 O ATOM 623 CB VAL A 41 -7.237 0.640 -1.781 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.315 1.772 -0.755 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.841 -0.679 -1.114 1.00 0.00 C ATOM 0 H VAL A 41 -7.552 -1.025 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.331 0.330 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.462 0.896 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.363 1.854 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.530 2.711 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.108 1.559 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.899 -0.549 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.617 -0.978 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.725 -1.451 -1.875 1.00 0.00 H new ATOM 635 N VAL A 42 -8.197 1.999 -4.388 1.00 0.00 N ATOM 636 CA VAL A 42 -8.447 3.161 -5.223 1.00 0.00 C ATOM 637 C VAL A 42 -9.403 2.775 -6.353 1.00 0.00 C ATOM 638 O VAL A 42 -9.999 3.643 -6.990 1.00 0.00 O ATOM 639 CB VAL A 42 -7.122 3.735 -5.731 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.472 4.631 -4.675 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.171 2.618 -6.164 1.00 0.00 C ATOM 0 H VAL A 42 -7.421 1.412 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.928 3.950 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.336 4.350 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.532 5.026 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.142 5.457 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.278 4.049 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.237 3.053 -6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.966 1.965 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.631 2.039 -6.965 1.00 0.00 H new ATOM 651 N GLY A 43 -9.521 1.473 -6.568 1.00 0.00 N ATOM 652 CA GLY A 43 -10.395 0.962 -7.609 1.00 0.00 C ATOM 653 C GLY A 43 -9.785 1.184 -8.995 1.00 0.00 C ATOM 654 O GLY A 43 -10.410 0.878 -10.009 1.00 0.00 O ATOM 0 H GLY A 43 -9.025 0.756 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.571 -0.102 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.364 1.457 -7.551 1.00 0.00 H new ATOM 658 N SER A 44 -8.571 1.716 -8.994 1.00 0.00 N ATOM 659 CA SER A 44 -7.870 1.983 -10.238 1.00 0.00 C ATOM 660 C SER A 44 -6.823 0.896 -10.492 1.00 0.00 C ATOM 661 O SER A 44 -6.574 0.056 -9.629 1.00 0.00 O ATOM 662 CB SER A 44 -7.208 3.362 -10.212 1.00 0.00 C ATOM 663 OG SER A 44 -7.744 4.192 -9.185 1.00 0.00 O ATOM 0 H SER A 44 -8.055 1.969 -8.151 1.00 0.00 H new ATOM 0 HA SER A 44 -8.598 1.975 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.135 3.246 -10.061 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.344 3.848 -11.178 1.00 0.00 H new ATOM 0 HG SER A 44 -7.294 5.063 -9.200 1.00 0.00 H new ATOM 669 N PRO A 45 -6.222 0.951 -11.711 1.00 0.00 N ATOM 670 CA PRO A 45 -5.208 -0.018 -12.089 1.00 0.00 C ATOM 671 C PRO A 45 -3.882 0.273 -11.384 1.00 0.00 C ATOM 672 O PRO A 45 -3.473 1.428 -11.275 1.00 0.00 O ATOM 673 CB PRO A 45 -5.111 0.084 -13.602 1.00 0.00 C ATOM 674 CG PRO A 45 -5.732 1.422 -13.970 1.00 0.00 C ATOM 675 CD PRO A 45 -6.492 1.933 -12.757 1.00 0.00 C ATOM 0 HA PRO A 45 -5.464 -1.034 -11.787 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.073 0.031 -13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.640 -0.738 -14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.960 2.133 -14.264 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.403 1.310 -14.822 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.151 2.926 -12.465 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.560 2.010 -12.962 1.00 0.00 H new ATOM 683 N ALA A 46 -3.246 -0.795 -10.924 1.00 0.00 N ATOM 684 CA ALA A 46 -1.974 -0.668 -10.232 1.00 0.00 C ATOM 685 C ALA A 46 -0.870 -0.385 -11.253 1.00 0.00 C ATOM 686 O ALA A 46 0.292 -0.217 -10.885 1.00 0.00 O ATOM 687 CB ALA A 46 -1.706 -1.937 -9.420 1.00 0.00 C ATOM 0 H ALA A 46 -3.588 -1.752 -11.017 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.999 0.168 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.752 -1.842 -8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.504 -2.077 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.671 -2.797 -10.089 1.00 0.00 H new ATOM 693 N SER A 47 -1.271 -0.340 -12.515 1.00 0.00 N ATOM 694 CA SER A 47 -0.330 -0.079 -13.591 1.00 0.00 C ATOM 695 C SER A 47 -0.419 1.386 -14.020 1.00 0.00 C ATOM 696 O SER A 47 0.235 1.797 -14.978 1.00 0.00 O ATOM 697 CB SER A 47 -0.591 -1.000 -14.785 1.00 0.00 C ATOM 698 OG SER A 47 0.616 -1.545 -15.312 1.00 0.00 O ATOM 0 H SER A 47 -2.235 -0.480 -12.817 1.00 0.00 H new ATOM 0 HA SER A 47 0.676 -0.282 -13.223 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.252 -1.811 -14.480 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.109 -0.443 -15.566 1.00 0.00 H new ATOM 0 HG SER A 47 0.407 -2.128 -16.071 1.00 0.00 H new ATOM 704 N CYS A 48 -1.234 2.135 -13.292 1.00 0.00 N ATOM 705 CA CYS A 48 -1.417 3.546 -13.586 1.00 0.00 C ATOM 706 C CYS A 48 -1.523 4.303 -12.260 1.00 0.00 C ATOM 707 O CYS A 48 -2.138 5.366 -12.196 1.00 0.00 O ATOM 708 CB CYS A 48 -2.637 3.785 -14.478 1.00 0.00 C ATOM 709 SG CYS A 48 -2.457 2.856 -16.045 1.00 0.00 S ATOM 0 H CYS A 48 -1.775 1.791 -12.499 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.560 3.917 -14.148 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.543 3.470 -13.961 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.743 4.850 -14.687 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.269 2.332 -16.105 1.00 0.00 H new ATOM 715 N MET A 49 -0.914 3.725 -11.236 1.00 0.00 N ATOM 716 CA MET A 49 -0.931 4.332 -9.915 1.00 0.00 C ATOM 717 C MET A 49 0.405 4.127 -9.200 1.00 0.00 C ATOM 718 O MET A 49 0.895 3.003 -9.103 1.00 0.00 O ATOM 719 CB MET A 49 -2.057 3.714 -9.084 1.00 0.00 C ATOM 720 CG MET A 49 -1.495 2.776 -8.013 1.00 0.00 C ATOM 721 SD MET A 49 -2.809 2.217 -6.942 1.00 0.00 S ATOM 722 CE MET A 49 -3.678 1.128 -8.058 1.00 0.00 C ATOM 0 H MET A 49 -0.405 2.843 -11.293 1.00 0.00 H new ATOM 0 HA MET A 49 -1.098 5.403 -10.030 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.641 4.504 -8.611 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.735 3.163 -9.736 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.010 1.921 -8.484 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.733 3.292 -7.429 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.740 1.125 -7.811 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.545 1.475 -9.083 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.281 0.117 -7.963 1.00 0.00 H new ATOM 732 N GLU A 50 0.957 5.230 -8.716 1.00 0.00 N ATOM 733 CA GLU A 50 2.227 5.185 -8.012 1.00 0.00 C ATOM 734 C GLU A 50 1.994 5.100 -6.502 1.00 0.00 C ATOM 735 O GLU A 50 0.917 5.441 -6.016 1.00 0.00 O ATOM 736 CB GLU A 50 3.093 6.396 -8.365 1.00 0.00 C ATOM 737 CG GLU A 50 4.574 6.015 -8.413 1.00 0.00 C ATOM 738 CD GLU A 50 4.862 5.079 -9.589 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.292 5.336 -10.672 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.645 4.128 -9.379 1.00 0.00 O ATOM 0 H GLU A 50 0.548 6.161 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 50 2.764 4.291 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.786 6.798 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.940 7.184 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.182 6.915 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.859 5.530 -7.479 1.00 0.00 H new ATOM 747 N LEU A 51 3.022 4.643 -5.802 1.00 0.00 N ATOM 748 CA LEU A 51 2.942 4.508 -4.357 1.00 0.00 C ATOM 749 C LEU A 51 3.869 5.534 -3.702 1.00 0.00 C ATOM 750 O LEU A 51 4.715 6.127 -4.370 1.00 0.00 O ATOM 751 CB LEU A 51 3.229 3.065 -3.937 1.00 0.00 C ATOM 752 CG LEU A 51 2.426 1.983 -4.663 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.582 0.628 -3.971 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.958 2.390 -4.801 1.00 0.00 C ATOM 0 H LEU A 51 3.914 4.362 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 51 1.931 4.722 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.290 2.867 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.039 2.974 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 51 2.827 1.878 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.002 -0.123 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.633 0.340 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.223 0.700 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.410 1.604 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.527 2.540 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.889 3.317 -5.370 1.00 0.00 H new ATOM 766 N GLU A 52 3.677 5.713 -2.403 1.00 0.00 N ATOM 767 CA GLU A 52 4.485 6.657 -1.651 1.00 0.00 C ATOM 768 C GLU A 52 4.562 6.237 -0.181 1.00 0.00 C ATOM 769 O GLU A 52 3.633 5.624 0.342 1.00 0.00 O ATOM 770 CB GLU A 52 3.936 8.079 -1.787 1.00 0.00 C ATOM 771 CG GLU A 52 4.169 8.624 -3.197 1.00 0.00 C ATOM 772 CD GLU A 52 4.113 10.153 -3.210 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.073 10.687 -2.767 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.112 10.754 -3.662 1.00 0.00 O ATOM 0 H GLU A 52 2.974 5.220 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 52 5.494 6.651 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.869 8.084 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.418 8.730 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.139 8.289 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.415 8.223 -3.875 1.00 0.00 H new ATOM 781 N LEU A 53 5.678 6.584 0.443 1.00 0.00 N ATOM 782 CA LEU A 53 5.888 6.251 1.841 1.00 0.00 C ATOM 783 C LEU A 53 6.179 7.531 2.628 1.00 0.00 C ATOM 784 O LEU A 53 7.070 8.297 2.266 1.00 0.00 O ATOM 785 CB LEU A 53 6.976 5.184 1.980 1.00 0.00 C ATOM 786 CG LEU A 53 7.440 4.881 3.406 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.317 4.243 4.225 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.705 4.021 3.400 1.00 0.00 C ATOM 0 H LEU A 53 6.446 7.093 0.006 1.00 0.00 H new ATOM 0 HA LEU A 53 4.986 5.812 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.609 4.259 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.842 5.498 1.396 1.00 0.00 H new ATOM 0 HG LEU A 53 7.694 5.824 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.674 4.038 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.468 4.925 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.007 3.310 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.013 3.820 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.502 3.079 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.502 4.550 2.878 1.00 0.00 H new ATOM 800 N TYR A 54 5.409 7.723 3.689 1.00 0.00 N ATOM 801 CA TYR A 54 5.572 8.896 4.530 1.00 0.00 C ATOM 802 C TYR A 54 6.000 8.502 5.945 1.00 0.00 C ATOM 803 O TYR A 54 5.723 7.390 6.394 1.00 0.00 O ATOM 804 CB TYR A 54 4.197 9.564 4.593 1.00 0.00 C ATOM 805 CG TYR A 54 3.740 10.174 3.267 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.497 9.360 2.180 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.571 11.540 3.157 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.067 9.934 0.931 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.141 12.114 1.908 1.00 0.00 C ATOM 810 CZ TYR A 54 2.910 11.283 0.857 1.00 0.00 C ATOM 811 OH TYR A 54 2.504 11.825 -0.322 1.00 0.00 O ATOM 0 H TYR A 54 4.670 7.085 3.985 1.00 0.00 H new ATOM 0 HA TYR A 54 6.339 9.555 4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.461 8.827 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.219 10.346 5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.629 8.292 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.761 12.178 4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.874 9.308 0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.005 13.181 1.809 1.00 0.00 H new ATOM 0 HH TYR A 54 2.813 11.264 -1.064 1.00 0.00 H new ATOM 821 N GLY A 55 6.667 9.434 6.609 1.00 0.00 N ATOM 822 CA GLY A 55 7.136 9.197 7.963 1.00 0.00 C ATOM 823 C GLY A 55 5.962 8.961 8.916 1.00 0.00 C ATOM 824 O GLY A 55 5.070 8.166 8.622 1.00 0.00 O ATOM 0 H GLY A 55 6.894 10.355 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.799 8.332 7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.720 10.052 8.304 1.00 0.00 H new ATOM 828 N ALA A 56 6.001 9.665 10.038 1.00 0.00 N ATOM 829 CA ALA A 56 4.951 9.541 11.035 1.00 0.00 C ATOM 830 C ALA A 56 3.961 10.696 10.873 1.00 0.00 C ATOM 831 O ALA A 56 2.835 10.493 10.420 1.00 0.00 O ATOM 832 CB ALA A 56 5.576 9.501 12.431 1.00 0.00 C ATOM 0 H ALA A 56 6.743 10.323 10.279 1.00 0.00 H new ATOM 0 HA ALA A 56 4.399 8.611 10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.789 9.408 13.179 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.249 8.647 12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.136 10.420 12.605 1.00 0.00 H new ATOM 838 N ASP A 57 4.415 11.881 11.252 1.00 0.00 N ATOM 839 CA ASP A 57 3.583 13.068 11.154 1.00 0.00 C ATOM 840 C ASP A 57 2.962 13.137 9.757 1.00 0.00 C ATOM 841 O ASP A 57 1.744 13.232 9.619 1.00 0.00 O ATOM 842 CB ASP A 57 4.408 14.339 11.367 1.00 0.00 C ATOM 843 CG ASP A 57 3.608 15.561 11.821 1.00 0.00 C ATOM 844 OD1 ASP A 57 2.943 15.446 12.873 1.00 0.00 O ATOM 845 OD2 ASP A 57 3.679 16.583 11.105 1.00 0.00 O ATOM 0 H ASP A 57 5.349 12.045 11.628 1.00 0.00 H new ATOM 0 HA ASP A 57 2.814 13.004 11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.180 14.133 12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.918 14.583 10.435 1.00 0.00 H new ATOM 850 N ASP A 58 3.829 13.085 8.756 1.00 0.00 N ATOM 851 CA ASP A 58 3.381 13.140 7.375 1.00 0.00 C ATOM 852 C ASP A 58 4.511 13.682 6.498 1.00 0.00 C ATOM 853 O ASP A 58 4.286 14.551 5.657 1.00 0.00 O ATOM 854 CB ASP A 58 2.176 14.071 7.223 1.00 0.00 C ATOM 855 CG ASP A 58 2.228 15.340 8.076 1.00 0.00 C ATOM 856 OD1 ASP A 58 3.204 16.101 7.901 1.00 0.00 O ATOM 857 OD2 ASP A 58 1.291 15.520 8.883 1.00 0.00 O ATOM 0 H ASP A 58 4.839 13.005 8.874 1.00 0.00 H new ATOM 0 HA ASP A 58 3.098 12.132 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.088 14.359 6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.273 13.516 7.478 1.00 0.00 H new ATOM 862 N LYS A 59 5.702 13.147 6.724 1.00 0.00 N ATOM 863 CA LYS A 59 6.868 13.567 5.965 1.00 0.00 C ATOM 864 C LYS A 59 7.251 12.464 4.977 1.00 0.00 C ATOM 865 O LYS A 59 7.651 11.373 5.382 1.00 0.00 O ATOM 866 CB LYS A 59 8.004 13.970 6.907 1.00 0.00 C ATOM 867 CG LYS A 59 9.365 13.786 6.235 1.00 0.00 C ATOM 868 CD LYS A 59 10.446 14.595 6.954 1.00 0.00 C ATOM 869 CE LYS A 59 11.799 13.884 6.889 1.00 0.00 C ATOM 870 NZ LYS A 59 12.433 14.096 5.568 1.00 0.00 N ATOM 0 H LYS A 59 5.885 12.426 7.422 1.00 0.00 H new ATOM 0 HA LYS A 59 6.641 14.457 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.880 15.011 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.959 13.369 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.635 12.730 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.305 14.099 5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.528 15.583 6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.160 14.746 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.452 14.259 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.665 12.817 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.350 13.607 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.816 13.716 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.579 15.114 5.412 1.00 0.00 H new ATOM 884 N PHE A 60 7.116 12.786 3.698 1.00 0.00 N ATOM 885 CA PHE A 60 7.443 11.836 2.649 1.00 0.00 C ATOM 886 C PHE A 60 8.833 11.234 2.868 1.00 0.00 C ATOM 887 O PHE A 60 9.774 11.947 3.215 1.00 0.00 O ATOM 888 CB PHE A 60 7.437 12.609 1.328 1.00 0.00 C ATOM 889 CG PHE A 60 8.054 11.843 0.156 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.436 10.733 -0.331 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.219 12.271 -0.398 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.008 10.022 -1.419 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.791 11.560 -1.486 1.00 0.00 C ATOM 894 CZ PHE A 60 9.174 10.451 -1.974 1.00 0.00 C ATOM 0 H PHE A 60 6.785 13.691 3.365 1.00 0.00 H new ATOM 0 HA PHE A 60 6.720 11.021 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.409 12.871 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.980 13.544 1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.511 10.393 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.710 13.152 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.518 9.141 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.717 11.900 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.609 9.911 -2.802 1.00 0.00 H new ATOM 904 N TYR A 61 8.918 9.929 2.655 1.00 0.00 N ATOM 905 CA TYR A 61 10.177 9.224 2.825 1.00 0.00 C ATOM 906 C TYR A 61 10.685 8.680 1.488 1.00 0.00 C ATOM 907 O TYR A 61 11.652 9.196 0.931 1.00 0.00 O ATOM 908 CB TYR A 61 9.880 8.050 3.760 1.00 0.00 C ATOM 909 CG TYR A 61 9.987 8.396 5.247 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.047 9.716 5.645 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.024 7.389 6.189 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.147 10.042 7.044 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.125 7.715 7.588 1.00 0.00 C ATOM 914 CZ TYR A 61 10.182 9.025 7.947 1.00 0.00 C ATOM 915 OH TYR A 61 10.277 9.333 9.268 1.00 0.00 O ATOM 0 H TYR A 61 8.136 9.342 2.366 1.00 0.00 H new ATOM 0 HA TYR A 61 10.941 9.892 3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.875 7.681 3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.570 7.237 3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.019 10.504 4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.977 6.356 5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.193 11.071 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.155 6.936 8.335 1.00 0.00 H new ATOM 0 HH TYR A 61 10.291 8.508 9.796 1.00 0.00 H new ATOM 925 N SER A 62 10.010 7.643 1.013 1.00 0.00 N ATOM 926 CA SER A 62 10.381 7.023 -0.247 1.00 0.00 C ATOM 927 C SER A 62 9.126 6.578 -1.001 1.00 0.00 C ATOM 928 O SER A 62 8.020 6.644 -0.466 1.00 0.00 O ATOM 929 CB SER A 62 11.315 5.832 -0.022 1.00 0.00 C ATOM 930 OG SER A 62 12.674 6.239 0.119 1.00 0.00 O ATOM 0 H SER A 62 9.209 7.217 1.478 1.00 0.00 H new ATOM 0 HA SER A 62 10.915 7.760 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.004 5.291 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.229 5.140 -0.860 1.00 0.00 H new ATOM 0 HG SER A 62 12.707 7.178 0.399 1.00 0.00 H new ATOM 936 N LYS A 63 9.339 6.133 -2.230 1.00 0.00 N ATOM 937 CA LYS A 63 8.239 5.676 -3.063 1.00 0.00 C ATOM 938 C LYS A 63 8.337 4.160 -3.243 1.00 0.00 C ATOM 939 O LYS A 63 9.419 3.629 -3.490 1.00 0.00 O ATOM 940 CB LYS A 63 8.207 6.452 -4.381 1.00 0.00 C ATOM 941 CG LYS A 63 8.849 7.832 -4.221 1.00 0.00 C ATOM 942 CD LYS A 63 10.374 7.740 -4.310 1.00 0.00 C ATOM 943 CE LYS A 63 10.905 8.566 -5.483 1.00 0.00 C ATOM 944 NZ LYS A 63 11.214 7.691 -6.636 1.00 0.00 N ATOM 0 H LYS A 63 10.258 6.079 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 63 7.284 5.878 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.734 5.889 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.176 6.563 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.476 8.503 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.562 8.262 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.818 8.095 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.673 6.699 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.166 9.313 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.801 9.106 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.573 8.268 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.935 6.995 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.351 7.195 -6.936 1.00 0.00 H new ATOM 958 N LEU A 64 7.192 3.506 -3.114 1.00 0.00 N ATOM 959 CA LEU A 64 7.135 2.062 -3.260 1.00 0.00 C ATOM 960 C LEU A 64 6.900 1.711 -4.731 1.00 0.00 C ATOM 961 O LEU A 64 5.801 1.308 -5.109 1.00 0.00 O ATOM 962 CB LEU A 64 6.091 1.468 -2.312 1.00 0.00 C ATOM 963 CG LEU A 64 6.317 1.723 -0.820 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.788 2.030 -0.534 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.390 2.826 -0.306 1.00 0.00 C ATOM 0 H LEU A 64 6.297 3.950 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 64 8.085 1.613 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.114 1.866 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.053 0.391 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 64 6.066 0.813 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.922 2.207 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.403 1.184 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.089 2.918 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.571 2.987 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.585 3.749 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.352 2.528 -0.456 1.00 0.00 H new ATOM 977 N ASP A 65 7.951 1.876 -5.520 1.00 0.00 N ATOM 978 CA ASP A 65 7.874 1.582 -6.941 1.00 0.00 C ATOM 979 C ASP A 65 8.545 0.235 -7.216 1.00 0.00 C ATOM 980 O ASP A 65 8.039 -0.567 -8.000 1.00 0.00 O ATOM 981 CB ASP A 65 8.598 2.648 -7.765 1.00 0.00 C ATOM 982 CG ASP A 65 9.298 2.129 -9.022 1.00 0.00 C ATOM 983 OD1 ASP A 65 8.661 1.324 -9.735 1.00 0.00 O ATOM 984 OD2 ASP A 65 10.455 2.549 -9.242 1.00 0.00 O ATOM 0 H ASP A 65 8.861 2.210 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 65 6.822 1.562 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.877 3.411 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.338 3.136 -7.130 1.00 0.00 H new ATOM 989 N GLN A 66 9.675 0.028 -6.556 1.00 0.00 N ATOM 990 CA GLN A 66 10.421 -1.208 -6.720 1.00 0.00 C ATOM 991 C GLN A 66 9.495 -2.414 -6.549 1.00 0.00 C ATOM 992 O GLN A 66 9.033 -2.694 -5.444 1.00 0.00 O ATOM 993 CB GLN A 66 11.594 -1.274 -5.740 1.00 0.00 C ATOM 994 CG GLN A 66 12.696 -2.197 -6.265 1.00 0.00 C ATOM 995 CD GLN A 66 13.949 -1.399 -6.635 1.00 0.00 C ATOM 996 OE1 GLN A 66 14.236 -0.353 -6.078 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.675 -1.951 -7.603 1.00 0.00 N ATOM 0 H GLN A 66 10.092 0.695 -5.907 1.00 0.00 H new ATOM 0 HA GLN A 66 10.832 -1.231 -7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.997 -0.274 -5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.244 -1.633 -4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.944 -2.940 -5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.335 -2.740 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.376 -2.830 -8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.530 -1.496 -7.922 1.00 0.00 H new ATOM 1006 N GLU A 67 9.252 -3.095 -7.659 1.00 0.00 N ATOM 1007 CA GLU A 67 8.389 -4.264 -7.645 1.00 0.00 C ATOM 1008 C GLU A 67 9.112 -5.450 -7.002 1.00 0.00 C ATOM 1009 O GLU A 67 8.473 -6.356 -6.468 1.00 0.00 O ATOM 1010 CB GLU A 67 7.915 -4.612 -9.057 1.00 0.00 C ATOM 1011 CG GLU A 67 7.053 -3.489 -9.638 1.00 0.00 C ATOM 1012 CD GLU A 67 5.908 -4.056 -10.480 1.00 0.00 C ATOM 1013 OE1 GLU A 67 6.083 -5.183 -10.990 1.00 0.00 O ATOM 1014 OE2 GLU A 67 4.883 -3.349 -10.594 1.00 0.00 O ATOM 0 H GLU A 67 9.637 -2.860 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 67 7.507 -4.033 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.777 -4.784 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.343 -5.540 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.648 -2.881 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.670 -2.833 -10.252 1.00 0.00 H new ATOM 1021 N ASP A 68 10.434 -5.406 -7.074 1.00 0.00 N ATOM 1022 CA ASP A 68 11.250 -6.465 -6.506 1.00 0.00 C ATOM 1023 C ASP A 68 11.433 -6.214 -5.008 1.00 0.00 C ATOM 1024 O ASP A 68 12.094 -6.991 -4.321 1.00 0.00 O ATOM 1025 CB ASP A 68 12.637 -6.499 -7.152 1.00 0.00 C ATOM 1026 CG ASP A 68 12.850 -7.623 -8.167 1.00 0.00 C ATOM 1027 OD1 ASP A 68 12.319 -8.726 -7.913 1.00 0.00 O ATOM 1028 OD2 ASP A 68 13.539 -7.355 -9.175 1.00 0.00 O ATOM 0 H ASP A 68 10.960 -4.653 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 68 10.744 -7.414 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.814 -5.544 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.385 -6.594 -6.365 1.00 0.00 H new ATOM 1033 N ALA A 69 10.835 -5.126 -4.545 1.00 0.00 N ATOM 1034 CA ALA A 69 10.923 -4.763 -3.141 1.00 0.00 C ATOM 1035 C ALA A 69 9.733 -5.361 -2.388 1.00 0.00 C ATOM 1036 O ALA A 69 8.724 -5.714 -2.996 1.00 0.00 O ATOM 1037 CB ALA A 69 10.990 -3.240 -3.011 1.00 0.00 C ATOM 0 H ALA A 69 10.287 -4.484 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 69 11.832 -5.169 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.056 -2.967 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.869 -2.868 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.093 -2.798 -3.445 1.00 0.00 H new ATOM 1043 N LEU A 70 9.892 -5.457 -1.076 1.00 0.00 N ATOM 1044 CA LEU A 70 8.843 -6.006 -0.234 1.00 0.00 C ATOM 1045 C LEU A 70 8.517 -5.011 0.881 1.00 0.00 C ATOM 1046 O LEU A 70 9.395 -4.288 1.349 1.00 0.00 O ATOM 1047 CB LEU A 70 9.237 -7.394 0.276 1.00 0.00 C ATOM 1048 CG LEU A 70 9.699 -8.393 -0.787 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.597 -9.470 -0.175 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.505 -8.996 -1.529 1.00 0.00 C ATOM 0 H LEU A 70 10.731 -5.164 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 70 7.929 -6.151 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.036 -7.277 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.383 -7.822 0.802 1.00 0.00 H new ATOM 0 HG LEU A 70 10.297 -7.856 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.911 -10.167 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.475 -9.002 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.045 -10.010 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.862 -9.702 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.860 -9.514 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.942 -8.201 -2.018 1.00 0.00 H new ATOM 1062 N LEU A 71 7.251 -5.007 1.275 1.00 0.00 N ATOM 1063 CA LEU A 71 6.798 -4.112 2.327 1.00 0.00 C ATOM 1064 C LEU A 71 7.572 -4.410 3.612 1.00 0.00 C ATOM 1065 O LEU A 71 7.414 -5.478 4.203 1.00 0.00 O ATOM 1066 CB LEU A 71 5.280 -4.201 2.489 1.00 0.00 C ATOM 1067 CG LEU A 71 4.497 -2.922 2.185 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.015 -3.093 2.528 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.115 -1.719 2.899 1.00 0.00 C ATOM 0 H LEU A 71 6.526 -5.609 0.885 1.00 0.00 H new ATOM 0 HA LEU A 71 7.007 -3.076 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.911 -4.993 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.061 -4.503 3.513 1.00 0.00 H new ATOM 0 HG LEU A 71 4.560 -2.728 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.481 -2.170 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.597 -3.908 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.911 -3.323 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.540 -0.823 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.102 -1.889 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.144 -1.587 2.565 1.00 0.00 H new ATOM 1081 N GLY A 72 8.393 -3.448 4.008 1.00 0.00 N ATOM 1082 CA GLY A 72 9.192 -3.594 5.213 1.00 0.00 C ATOM 1083 C GLY A 72 10.608 -3.055 5.000 1.00 0.00 C ATOM 1084 O GLY A 72 11.056 -2.172 5.731 1.00 0.00 O ATOM 0 H GLY A 72 8.522 -2.564 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.716 -3.061 6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.238 -4.645 5.498 1.00 0.00 H new ATOM 1088 N SER A 73 11.273 -3.608 3.997 1.00 0.00 N ATOM 1089 CA SER A 73 12.629 -3.193 3.679 1.00 0.00 C ATOM 1090 C SER A 73 12.729 -1.667 3.706 1.00 0.00 C ATOM 1091 O SER A 73 13.803 -1.116 3.943 1.00 0.00 O ATOM 1092 CB SER A 73 13.063 -3.730 2.314 1.00 0.00 C ATOM 1093 OG SER A 73 14.336 -4.368 2.371 1.00 0.00 O ATOM 0 H SER A 73 10.898 -4.340 3.394 1.00 0.00 H new ATOM 0 HA SER A 73 13.299 -3.608 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.319 -4.438 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.100 -2.910 1.597 1.00 0.00 H new ATOM 0 HG SER A 73 14.576 -4.699 1.480 1.00 0.00 H new ATOM 1099 N TYR A 74 11.596 -1.027 3.460 1.00 0.00 N ATOM 1100 CA TYR A 74 11.542 0.425 3.454 1.00 0.00 C ATOM 1101 C TYR A 74 11.285 0.971 4.860 1.00 0.00 C ATOM 1102 O TYR A 74 10.946 0.217 5.770 1.00 0.00 O ATOM 1103 CB TYR A 74 10.365 0.800 2.551 1.00 0.00 C ATOM 1104 CG TYR A 74 10.682 0.734 1.055 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.575 1.628 0.499 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.076 -0.219 0.263 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.873 1.566 -0.908 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.375 -0.281 -1.145 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.258 0.615 -1.661 1.00 0.00 C ATOM 1110 OH TYR A 74 11.540 0.557 -2.990 1.00 0.00 O ATOM 0 H TYR A 74 10.707 -1.487 3.263 1.00 0.00 H new ATOM 0 HA TYR A 74 12.487 0.842 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.530 0.133 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.038 1.810 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.050 2.374 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.378 -0.918 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.570 2.259 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.908 -1.023 -1.776 1.00 0.00 H new ATOM 0 HH TYR A 74 12.456 0.870 -3.144 1.00 0.00 H new ATOM 1120 N PRO A 75 11.461 2.313 4.996 1.00 0.00 N ATOM 1121 CA PRO A 75 11.252 2.969 6.276 1.00 0.00 C ATOM 1122 C PRO A 75 9.760 3.097 6.589 1.00 0.00 C ATOM 1123 O PRO A 75 9.267 4.196 6.839 1.00 0.00 O ATOM 1124 CB PRO A 75 11.950 4.313 6.148 1.00 0.00 C ATOM 1125 CG PRO A 75 12.123 4.552 4.657 1.00 0.00 C ATOM 1126 CD PRO A 75 11.862 3.238 3.940 1.00 0.00 C ATOM 0 HA PRO A 75 11.661 2.401 7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.358 5.106 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.914 4.302 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.431 5.320 4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.130 4.910 4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.079 3.345 3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.754 2.885 3.422 1.00 0.00 H new ATOM 1134 N VAL A 76 9.082 1.959 6.564 1.00 0.00 N ATOM 1135 CA VAL A 76 7.656 1.931 6.841 1.00 0.00 C ATOM 1136 C VAL A 76 7.428 1.414 8.263 1.00 0.00 C ATOM 1137 O VAL A 76 8.365 0.968 8.923 1.00 0.00 O ATOM 1138 CB VAL A 76 6.933 1.099 5.780 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.176 -0.396 5.995 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.436 1.415 5.763 1.00 0.00 C ATOM 0 H VAL A 76 9.494 1.049 6.356 1.00 0.00 H new ATOM 0 HA VAL A 76 7.237 2.936 6.788 1.00 0.00 H new ATOM 0 HB VAL A 76 7.343 1.367 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.651 -0.964 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.244 -0.604 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.806 -0.687 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.945 0.811 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.005 1.188 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.290 2.472 5.538 1.00 0.00 H new ATOM 1150 N ASP A 77 6.177 1.491 8.693 1.00 0.00 N ATOM 1151 CA ASP A 77 5.814 1.036 10.025 1.00 0.00 C ATOM 1152 C ASP A 77 4.305 1.198 10.220 1.00 0.00 C ATOM 1153 O ASP A 77 3.701 2.125 9.681 1.00 0.00 O ATOM 1154 CB ASP A 77 6.521 1.863 11.100 1.00 0.00 C ATOM 1155 CG ASP A 77 6.332 3.377 10.981 1.00 0.00 C ATOM 1156 OD1 ASP A 77 6.913 3.948 10.034 1.00 0.00 O ATOM 1157 OD2 ASP A 77 5.611 3.928 11.841 1.00 0.00 O ATOM 0 H ASP A 77 5.402 1.862 8.143 1.00 0.00 H new ATOM 0 HA ASP A 77 6.112 -0.008 10.119 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.161 1.543 12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.588 1.641 11.064 1.00 0.00 H new ATOM 1162 N ASP A 78 3.739 0.282 10.992 1.00 0.00 N ATOM 1163 CA ASP A 78 2.312 0.311 11.265 1.00 0.00 C ATOM 1164 C ASP A 78 1.911 1.720 11.707 1.00 0.00 C ATOM 1165 O ASP A 78 2.125 2.098 12.858 1.00 0.00 O ATOM 1166 CB ASP A 78 1.947 -0.660 12.390 1.00 0.00 C ATOM 1167 CG ASP A 78 2.794 -0.529 13.657 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.026 -0.386 13.504 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.190 -0.576 14.751 1.00 0.00 O ATOM 0 H ASP A 78 4.243 -0.485 11.437 1.00 0.00 H new ATOM 0 HA ASP A 78 1.788 0.021 10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.900 -0.510 12.654 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.038 -1.679 12.014 1.00 0.00 H new ATOM 1174 N GLY A 79 1.335 2.458 10.770 1.00 0.00 N ATOM 1175 CA GLY A 79 0.902 3.817 11.048 1.00 0.00 C ATOM 1176 C GLY A 79 1.360 4.775 9.947 1.00 0.00 C ATOM 1177 O GLY A 79 0.967 5.940 9.930 1.00 0.00 O ATOM 0 H GLY A 79 1.158 2.141 9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.184 3.846 11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.304 4.141 12.008 1.00 0.00 H new ATOM 1181 N CYS A 80 2.185 4.248 9.054 1.00 0.00 N ATOM 1182 CA CYS A 80 2.701 5.042 7.952 1.00 0.00 C ATOM 1183 C CYS A 80 1.514 5.575 7.147 1.00 0.00 C ATOM 1184 O CYS A 80 0.384 5.588 7.634 1.00 0.00 O ATOM 1185 CB CYS A 80 3.667 4.239 7.079 1.00 0.00 C ATOM 1186 SG CYS A 80 2.730 3.188 5.911 1.00 0.00 S ATOM 0 H CYS A 80 2.509 3.281 9.071 1.00 0.00 H new ATOM 0 HA CYS A 80 3.279 5.879 8.344 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.320 4.916 6.528 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.307 3.618 7.706 1.00 0.00 H new ATOM 0 HG CYS A 80 3.414 3.041 4.815 1.00 0.00 H new ATOM 1192 N ARG A 81 1.810 6.002 5.928 1.00 0.00 N ATOM 1193 CA ARG A 81 0.782 6.535 5.051 1.00 0.00 C ATOM 1194 C ARG A 81 1.167 6.315 3.586 1.00 0.00 C ATOM 1195 O ARG A 81 2.137 6.897 3.102 1.00 0.00 O ATOM 1196 CB ARG A 81 0.568 8.030 5.296 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.379 8.627 4.254 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.941 9.969 4.729 1.00 0.00 C ATOM 1199 NE ARG A 81 0.081 11.028 4.573 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.163 12.336 4.733 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.395 12.753 5.054 1.00 0.00 N ATOM 1202 NH2 ARG A 81 0.825 13.227 4.572 1.00 0.00 N ATOM 0 H ARG A 81 2.748 5.990 5.527 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.146 6.007 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.159 8.183 6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.526 8.549 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.151 8.764 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.198 7.933 4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.832 10.224 4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.245 9.896 5.773 1.00 0.00 H new ATOM 0 HE ARG A 81 1.030 10.745 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.147 12.075 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.581 13.748 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.763 12.910 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.639 14.222 4.694 1.00 0.00 H new ATOM 1216 N ILE A 82 0.388 5.475 2.922 1.00 0.00 N ATOM 1217 CA ILE A 82 0.635 5.172 1.523 1.00 0.00 C ATOM 1218 C ILE A 82 -0.212 6.097 0.647 1.00 0.00 C ATOM 1219 O ILE A 82 -1.428 5.935 0.562 1.00 0.00 O ATOM 1220 CB ILE A 82 0.405 3.684 1.248 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.423 2.824 1.999 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.409 3.397 -0.255 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.781 2.840 1.293 1.00 0.00 C ATOM 0 H ILE A 82 -0.415 4.994 3.327 1.00 0.00 H new ATOM 0 HA ILE A 82 1.678 5.362 1.271 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.582 3.416 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.535 3.193 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.058 1.799 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.244 2.333 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.385 3.968 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.371 3.686 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.487 2.221 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.670 2.448 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.155 3.863 1.246 1.00 0.00 H new ATOM 1235 N HIS A 83 0.464 7.048 0.019 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.211 7.999 -0.847 1.00 0.00 C ATOM 1237 C HIS A 83 -0.214 7.473 -2.284 1.00 0.00 C ATOM 1238 O HIS A 83 0.796 7.554 -2.981 1.00 0.00 O ATOM 1239 CB HIS A 83 0.420 9.388 -0.726 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.437 10.502 -1.275 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.605 10.922 -0.661 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.285 11.280 -2.385 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.124 11.907 -1.379 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.304 12.128 -2.447 1.00 0.00 N ATOM 0 H HIS A 83 1.473 7.180 0.093 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.249 8.107 -0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.631 9.590 0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.376 9.388 -1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.527 11.217 -3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.036 12.441 -1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.450 12.829 -3.173 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.362 6.946 -2.684 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.510 6.407 -4.026 1.00 0.00 C ATOM 1254 C VAL A 84 -1.704 7.558 -5.015 1.00 0.00 C ATOM 1255 O VAL A 84 -2.648 8.336 -4.890 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.654 5.391 -4.058 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.904 4.892 -5.482 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.379 4.224 -3.108 1.00 0.00 C ATOM 0 H VAL A 84 -2.198 6.881 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.609 5.871 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.558 5.894 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.722 4.171 -5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.167 5.734 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.002 4.414 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.208 3.517 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.458 3.722 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.275 4.600 -2.090 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.794 7.629 -5.976 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.854 8.672 -6.986 1.00 0.00 C ATOM 1270 C ILE A 85 -1.617 8.152 -8.205 1.00 0.00 C ATOM 1271 O ILE A 85 -1.074 7.389 -9.003 1.00 0.00 O ATOM 1272 CB ILE A 85 0.551 9.183 -7.311 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.283 9.622 -6.041 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.501 10.298 -8.358 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.759 9.905 -6.329 1.00 0.00 C ATOM 0 H ILE A 85 -0.012 6.982 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.403 9.535 -6.611 1.00 0.00 H new ATOM 0 HB ILE A 85 1.121 8.361 -7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.810 10.516 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.199 8.845 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.513 10.643 -8.571 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.048 9.918 -9.273 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.093 11.129 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.256 10.215 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.235 9.002 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.839 10.700 -7.071 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.864 8.586 -8.312 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.708 8.173 -9.421 1.00 0.00 C ATOM 1289 C ASP A 86 -3.083 8.647 -10.735 1.00 0.00 C ATOM 1290 O ASP A 86 -3.151 9.829 -11.068 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.103 8.791 -9.311 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.871 8.893 -10.630 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.362 7.837 -11.084 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -5.949 10.024 -11.156 1.00 0.00 O ATOM 0 H ASP A 86 -3.311 9.220 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.792 7.087 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.692 8.199 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.009 9.790 -8.885 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.489 7.700 -11.446 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.853 8.006 -12.716 1.00 0.00 C ATOM 1301 C HIS A 87 -2.745 7.532 -13.864 1.00 0.00 C ATOM 1302 O HIS A 87 -2.252 7.182 -14.935 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.444 7.410 -12.775 1.00 0.00 C ATOM 1304 CG HIS A 87 0.659 8.422 -12.577 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.641 9.675 -13.164 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.812 8.352 -11.852 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.739 10.322 -12.802 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.464 9.501 -11.989 1.00 0.00 N ATOM 0 H HIS A 87 -2.435 6.720 -11.167 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.734 9.085 -12.817 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.355 6.637 -12.012 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.307 6.922 -13.740 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.139 7.506 -11.266 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.012 11.324 -13.099 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.359 9.731 -11.558 1.00 0.00 H new ATOM 1316 N SER A 88 -4.044 7.536 -13.602 1.00 0.00 N ATOM 1317 CA SER A 88 -5.011 7.112 -14.601 1.00 0.00 C ATOM 1318 C SER A 88 -5.992 8.248 -14.896 1.00 0.00 C ATOM 1319 O SER A 88 -6.091 8.707 -16.033 1.00 0.00 O ATOM 1320 CB SER A 88 -5.767 5.864 -14.139 1.00 0.00 C ATOM 1321 OG SER A 88 -4.978 5.050 -13.277 1.00 0.00 O ATOM 0 H SER A 88 -4.450 7.826 -12.712 1.00 0.00 H new ATOM 0 HA SER A 88 -4.472 6.861 -15.514 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.678 6.163 -13.621 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.071 5.282 -15.009 1.00 0.00 H new ATOM 0 HG SER A 88 -5.423 4.967 -12.408 1.00 0.00 H new ATOM 1327 N GLY A 89 -6.691 8.669 -13.853 1.00 0.00 N ATOM 1328 CA GLY A 89 -7.661 9.743 -13.986 1.00 0.00 C ATOM 1329 C GLY A 89 -7.099 10.887 -14.832 1.00 0.00 C ATOM 1330 O GLY A 89 -7.456 11.035 -16.000 1.00 0.00 O ATOM 0 H GLY A 89 -6.605 8.286 -12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.572 9.360 -14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.934 10.116 -12.999 1.00 0.00 H new ATOM 1334 N SER A 90 -6.228 11.669 -14.210 1.00 0.00 N ATOM 1335 CA SER A 90 -5.613 12.795 -14.891 1.00 0.00 C ATOM 1336 C SER A 90 -4.127 12.518 -15.124 1.00 0.00 C ATOM 1337 O SER A 90 -3.326 12.582 -14.192 1.00 0.00 O ATOM 1338 CB SER A 90 -5.793 14.087 -14.091 1.00 0.00 C ATOM 1339 OG SER A 90 -6.025 15.210 -14.936 1.00 0.00 O ATOM 0 H SER A 90 -5.934 11.544 -13.241 1.00 0.00 H new ATOM 0 HA SER A 90 -6.107 12.924 -15.854 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.630 13.973 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.904 14.266 -13.486 1.00 0.00 H new ATOM 0 HG SER A 90 -6.136 16.015 -14.388 1.00 0.00 H new ATOM 1345 N GLY A 91 -3.803 12.214 -16.372 1.00 0.00 N ATOM 1346 CA GLY A 91 -2.426 11.926 -16.739 1.00 0.00 C ATOM 1347 C GLY A 91 -2.324 11.528 -18.213 1.00 0.00 C ATOM 1348 O GLY A 91 -3.312 11.578 -18.943 1.00 0.00 O ATOM 0 H GLY A 91 -4.470 12.161 -17.142 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.805 12.802 -16.551 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.040 11.121 -16.114 1.00 0.00 H new ATOM 1352 N PRO A 92 -1.087 11.132 -18.617 1.00 0.00 N ATOM 1353 CA PRO A 92 -0.843 10.725 -19.990 1.00 0.00 C ATOM 1354 C PRO A 92 -1.416 9.332 -20.260 1.00 0.00 C ATOM 1355 O PRO A 92 -1.908 8.672 -19.346 1.00 0.00 O ATOM 1356 CB PRO A 92 0.667 10.789 -20.156 1.00 0.00 C ATOM 1357 CG PRO A 92 1.242 10.777 -18.749 1.00 0.00 C ATOM 1358 CD PRO A 92 0.106 11.060 -17.779 1.00 0.00 C ATOM 0 HA PRO A 92 -1.338 11.371 -20.715 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.033 9.941 -20.735 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.963 11.691 -20.691 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.698 9.811 -18.531 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.025 11.529 -18.650 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.018 10.272 -17.031 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.269 11.993 -17.240 1.00 0.00 H new ATOM 1366 N SER A 93 -1.332 8.926 -21.518 1.00 0.00 N ATOM 1367 CA SER A 93 -1.836 7.624 -21.920 1.00 0.00 C ATOM 1368 C SER A 93 -0.676 6.725 -22.354 1.00 0.00 C ATOM 1369 O SER A 93 0.339 7.212 -22.849 1.00 0.00 O ATOM 1370 CB SER A 93 -2.859 7.754 -23.050 1.00 0.00 C ATOM 1371 OG SER A 93 -3.867 8.716 -22.750 1.00 0.00 O ATOM 0 H SER A 93 -0.922 9.476 -22.273 1.00 0.00 H new ATOM 0 HA SER A 93 -2.337 7.172 -21.064 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.349 8.039 -23.970 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.325 6.785 -23.231 1.00 0.00 H new ATOM 0 HG SER A 93 -4.500 8.771 -23.497 1.00 0.00 H new ATOM 1377 N SER A 94 -0.866 5.430 -22.152 1.00 0.00 N ATOM 1378 CA SER A 94 0.152 4.459 -22.516 1.00 0.00 C ATOM 1379 C SER A 94 -0.233 3.763 -23.823 1.00 0.00 C ATOM 1380 O SER A 94 -1.406 3.734 -24.193 1.00 0.00 O ATOM 1381 CB SER A 94 0.352 3.427 -21.404 1.00 0.00 C ATOM 1382 OG SER A 94 1.088 2.293 -21.854 1.00 0.00 O ATOM 0 H SER A 94 -1.710 5.030 -21.741 1.00 0.00 H new ATOM 0 HA SER A 94 1.095 4.988 -22.657 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.876 3.891 -20.569 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.620 3.104 -21.030 1.00 0.00 H new ATOM 0 HG SER A 94 1.196 1.659 -21.115 1.00 0.00 H new ATOM 1388 N GLY A 95 0.777 3.218 -24.486 1.00 0.00 N ATOM 1389 CA GLY A 95 0.559 2.524 -25.744 1.00 0.00 C ATOM 1390 C GLY A 95 1.413 1.258 -25.826 1.00 0.00 C ATOM 1391 O GLY A 95 2.138 1.056 -26.799 1.00 0.00 O ATOM 0 H GLY A 95 1.748 3.243 -24.176 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.495 2.263 -25.842 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.802 3.186 -26.575 1.00 0.00 H new TER 1395 GLY A 95