USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 39 ASN : amide:sc= -5.91! C(o=-9!,f=-16!) USER MOD Set 1.2: A 42 GLN : amide:sc= -3.11! C(o=-9!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 0.0709 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0364 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.39 (180deg=1.38) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.3!) USER MOD Single : A 40 GLN : amide:sc= -2! X(o=-2!,f=-1.6) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000613 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -177:sc= -0.24 (180deg=-0.261) USER MOD Single : A 52 MET CE :methyl 179:sc= -2.02 (180deg=-2.05) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= 0.518 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0529 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0.201 (180deg=0.193) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.024 11.879 22.900 1.00 0.00 N ATOM 2 CA GLY A 1 6.662 10.501 23.178 1.00 0.00 C ATOM 3 C GLY A 1 5.713 10.376 24.353 1.00 0.00 C ATOM 4 O GLY A 1 6.038 10.786 25.468 1.00 0.00 O ATOM 0 H1 GLY A 1 7.674 11.910 22.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.167 12.425 22.679 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.491 12.290 23.733 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.199 10.065 22.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.565 9.925 23.382 1.00 0.00 H new ATOM 8 N SER A 2 4.538 9.810 24.104 1.00 0.00 N ATOM 9 CA SER A 2 3.535 9.637 25.150 1.00 0.00 C ATOM 10 C SER A 2 2.791 8.317 24.977 1.00 0.00 C ATOM 11 O SER A 2 3.017 7.586 24.012 1.00 0.00 O ATOM 12 CB SER A 2 2.543 10.801 25.132 1.00 0.00 C ATOM 13 OG SER A 2 1.827 10.842 23.909 1.00 0.00 O ATOM 0 H SER A 2 4.256 9.463 23.187 1.00 0.00 H new ATOM 0 HA SER A 2 4.048 9.621 26.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.845 10.701 25.963 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.077 11.740 25.276 1.00 0.00 H new ATOM 0 HG SER A 2 1.198 11.594 23.923 1.00 0.00 H new ATOM 19 N SER A 3 1.904 8.016 25.919 1.00 0.00 N ATOM 20 CA SER A 3 1.128 6.782 25.873 1.00 0.00 C ATOM 21 C SER A 3 0.555 6.551 24.479 1.00 0.00 C ATOM 22 O SER A 3 0.530 7.459 23.647 1.00 0.00 O ATOM 23 CB SER A 3 -0.004 6.829 26.901 1.00 0.00 C ATOM 24 OG SER A 3 -0.870 7.924 26.657 1.00 0.00 O ATOM 0 H SER A 3 1.704 8.610 26.724 1.00 0.00 H new ATOM 0 HA SER A 3 1.794 5.954 26.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.571 5.898 26.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.415 6.909 27.904 1.00 0.00 H new ATOM 0 HG SER A 3 -1.586 7.931 27.326 1.00 0.00 H new ATOM 30 N GLY A 4 0.094 5.329 24.229 1.00 0.00 N ATOM 31 CA GLY A 4 -0.472 5.000 22.935 1.00 0.00 C ATOM 32 C GLY A 4 0.420 5.426 21.786 1.00 0.00 C ATOM 33 O GLY A 4 1.629 5.584 21.956 1.00 0.00 O ATOM 0 H GLY A 4 0.103 4.561 24.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.642 3.925 22.879 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.444 5.482 22.834 1.00 0.00 H new ATOM 37 N SER A 5 -0.177 5.611 20.613 1.00 0.00 N ATOM 38 CA SER A 5 0.574 6.016 19.430 1.00 0.00 C ATOM 39 C SER A 5 -0.267 6.926 18.538 1.00 0.00 C ATOM 40 O SER A 5 -1.453 6.677 18.321 1.00 0.00 O ATOM 41 CB SER A 5 1.025 4.786 18.640 1.00 0.00 C ATOM 42 OG SER A 5 2.240 4.267 19.154 1.00 0.00 O ATOM 0 H SER A 5 -1.177 5.487 20.456 1.00 0.00 H new ATOM 0 HA SER A 5 1.453 6.570 19.760 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.252 4.019 18.682 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.154 5.051 17.591 1.00 0.00 H new ATOM 0 HG SER A 5 2.347 4.549 20.086 1.00 0.00 H new ATOM 48 N SER A 6 0.357 7.983 18.027 1.00 0.00 N ATOM 49 CA SER A 6 -0.334 8.932 17.163 1.00 0.00 C ATOM 50 C SER A 6 0.443 9.153 15.869 1.00 0.00 C ATOM 51 O SER A 6 0.591 10.284 15.405 1.00 0.00 O ATOM 52 CB SER A 6 -0.529 10.265 17.888 1.00 0.00 C ATOM 53 OG SER A 6 0.709 10.783 18.346 1.00 0.00 O ATOM 0 H SER A 6 1.338 8.203 18.196 1.00 0.00 H new ATOM 0 HA SER A 6 -1.310 8.516 16.914 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.001 10.982 17.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.204 10.128 18.733 1.00 0.00 H new ATOM 0 HG SER A 6 0.557 11.636 18.804 1.00 0.00 H new ATOM 59 N GLY A 7 0.937 8.064 15.289 1.00 0.00 N ATOM 60 CA GLY A 7 1.693 8.159 14.053 1.00 0.00 C ATOM 61 C GLY A 7 0.946 7.577 12.871 1.00 0.00 C ATOM 62 O GLY A 7 1.432 6.656 12.213 1.00 0.00 O ATOM 0 H GLY A 7 0.828 7.117 15.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.926 9.205 13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.643 7.638 14.171 1.00 0.00 H new ATOM 66 N ILE A 8 -0.239 8.114 12.599 1.00 0.00 N ATOM 67 CA ILE A 8 -1.055 7.642 11.487 1.00 0.00 C ATOM 68 C ILE A 8 -0.981 8.601 10.305 1.00 0.00 C ATOM 69 O ILE A 8 -1.051 9.819 10.474 1.00 0.00 O ATOM 70 CB ILE A 8 -2.528 7.469 11.904 1.00 0.00 C ATOM 71 CG1 ILE A 8 -2.645 6.442 13.031 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.370 7.050 10.708 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.543 7.047 14.414 1.00 0.00 C ATOM 0 H ILE A 8 -0.655 8.876 13.134 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.654 6.673 11.190 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.902 8.425 12.270 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.599 5.922 12.940 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.862 5.694 12.912 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.408 6.932 11.018 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.307 7.814 9.933 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.998 6.104 10.315 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.634 6.260 15.163 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.578 7.542 14.524 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.343 7.775 14.553 1.00 0.00 H new ATOM 85 N VAL A 9 -0.842 8.046 9.106 1.00 0.00 N ATOM 86 CA VAL A 9 -0.762 8.851 7.894 1.00 0.00 C ATOM 87 C VAL A 9 -0.973 7.995 6.650 1.00 0.00 C ATOM 88 O VAL A 9 -0.850 6.770 6.697 1.00 0.00 O ATOM 89 CB VAL A 9 0.596 9.569 7.786 1.00 0.00 C ATOM 90 CG1 VAL A 9 1.725 8.558 7.651 1.00 0.00 C ATOM 91 CG2 VAL A 9 0.594 10.538 6.613 1.00 0.00 C ATOM 0 H VAL A 9 -0.782 7.040 8.948 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.555 9.597 7.956 1.00 0.00 H new ATOM 0 HB VAL A 9 0.759 10.140 8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.677 9.084 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.738 7.908 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.570 7.957 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.561 11.037 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.409 9.990 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.189 11.282 6.757 1.00 0.00 H new ATOM 101 N LEU A 10 -1.292 8.648 5.537 1.00 0.00 N ATOM 102 CA LEU A 10 -1.520 7.947 4.279 1.00 0.00 C ATOM 103 C LEU A 10 -0.411 6.934 4.011 1.00 0.00 C ATOM 104 O LEU A 10 -0.654 5.864 3.448 1.00 0.00 O ATOM 105 CB LEU A 10 -1.602 8.946 3.123 1.00 0.00 C ATOM 106 CG LEU A 10 -2.724 9.982 3.211 1.00 0.00 C ATOM 107 CD1 LEU A 10 -2.277 11.184 4.028 1.00 0.00 C ATOM 108 CD2 LEU A 10 -3.162 10.413 1.819 1.00 0.00 C ATOM 0 H LEU A 10 -1.398 9.661 5.481 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.466 7.411 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.651 9.474 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.722 8.388 2.194 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.577 9.525 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.088 11.911 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.014 10.862 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.409 11.643 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.961 11.150 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.316 10.852 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.524 9.546 1.267 1.00 0.00 H new ATOM 120 N LEU A 11 0.806 7.274 4.419 1.00 0.00 N ATOM 121 CA LEU A 11 1.952 6.393 4.226 1.00 0.00 C ATOM 122 C LEU A 11 1.767 5.084 4.986 1.00 0.00 C ATOM 123 O LEU A 11 1.997 4.003 4.444 1.00 0.00 O ATOM 124 CB LEU A 11 3.236 7.085 4.686 1.00 0.00 C ATOM 125 CG LEU A 11 4.521 6.658 3.976 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.842 5.203 4.284 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.398 6.872 2.474 1.00 0.00 C ATOM 0 H LEU A 11 1.025 8.154 4.886 1.00 0.00 H new ATOM 0 HA LEU A 11 2.029 6.167 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.112 8.160 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.358 6.906 5.754 1.00 0.00 H new ATOM 0 HG LEU A 11 5.340 7.276 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.760 4.916 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.974 5.079 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.023 4.570 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.322 6.563 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.568 6.280 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.216 7.927 2.271 1.00 0.00 H new ATOM 139 N ARG A 12 1.348 5.190 6.243 1.00 0.00 N ATOM 140 CA ARG A 12 1.131 4.014 7.077 1.00 0.00 C ATOM 141 C ARG A 12 0.462 2.897 6.279 1.00 0.00 C ATOM 142 O ARG A 12 0.595 1.719 6.609 1.00 0.00 O ATOM 143 CB ARG A 12 0.271 4.374 8.289 1.00 0.00 C ATOM 144 CG ARG A 12 0.465 3.440 9.473 1.00 0.00 C ATOM 145 CD ARG A 12 -0.443 3.816 10.633 1.00 0.00 C ATOM 146 NE ARG A 12 -0.770 2.662 11.468 1.00 0.00 N ATOM 147 CZ ARG A 12 0.116 2.032 12.230 1.00 0.00 C ATOM 148 NH1 ARG A 12 1.376 2.441 12.264 1.00 0.00 N ATOM 149 NH2 ARG A 12 -0.259 0.990 12.961 1.00 0.00 N ATOM 0 H ARG A 12 1.152 6.078 6.706 1.00 0.00 H new ATOM 0 HA ARG A 12 2.103 3.660 7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.503 5.393 8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.779 4.362 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.260 2.414 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.505 3.473 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.043 4.578 11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.362 4.256 10.246 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.732 2.322 11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.667 3.242 11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.054 1.955 12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.228 0.673 12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.422 0.506 13.546 1.00 0.00 H new ATOM 163 N GLY A 13 -0.257 3.277 5.227 1.00 0.00 N ATOM 164 CA GLY A 13 -0.936 2.297 4.401 1.00 0.00 C ATOM 165 C GLY A 13 -0.076 1.081 4.117 1.00 0.00 C ATOM 166 O GLY A 13 -0.591 0.005 3.812 1.00 0.00 O ATOM 0 H GLY A 13 -0.381 4.246 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.853 1.981 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.227 2.760 3.458 1.00 0.00 H new ATOM 170 N LEU A 14 1.238 1.252 4.215 1.00 0.00 N ATOM 171 CA LEU A 14 2.172 0.160 3.966 1.00 0.00 C ATOM 172 C LEU A 14 2.382 -0.676 5.225 1.00 0.00 C ATOM 173 O LEU A 14 2.361 -1.905 5.175 1.00 0.00 O ATOM 174 CB LEU A 14 3.513 0.711 3.478 1.00 0.00 C ATOM 175 CG LEU A 14 3.506 1.365 2.095 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.904 1.830 1.718 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.964 0.399 1.052 1.00 0.00 C ATOM 0 H LEU A 14 1.680 2.136 4.465 1.00 0.00 H new ATOM 0 HA LEU A 14 1.745 -0.480 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.868 1.444 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.237 -0.104 3.469 1.00 0.00 H new ATOM 0 HG LEU A 14 2.852 2.237 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.880 2.293 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.256 2.556 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.580 0.975 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.966 0.881 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.592 -0.491 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.945 0.115 1.314 1.00 0.00 H new ATOM 189 N GLU A 15 2.581 0.001 6.352 1.00 0.00 N ATOM 190 CA GLU A 15 2.792 -0.680 7.624 1.00 0.00 C ATOM 191 C GLU A 15 1.528 -1.411 8.066 1.00 0.00 C ATOM 192 O GLU A 15 1.596 -2.497 8.645 1.00 0.00 O ATOM 193 CB GLU A 15 3.218 0.321 8.700 1.00 0.00 C ATOM 194 CG GLU A 15 4.720 0.538 8.768 1.00 0.00 C ATOM 195 CD GLU A 15 5.448 -0.622 9.418 1.00 0.00 C ATOM 196 OE1 GLU A 15 4.933 -1.757 9.350 1.00 0.00 O ATOM 197 OE2 GLU A 15 6.533 -0.395 9.994 1.00 0.00 O ATOM 0 H GLU A 15 2.600 1.019 6.410 1.00 0.00 H new ATOM 0 HA GLU A 15 3.586 -1.414 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.730 1.277 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.866 -0.029 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.108 0.687 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.927 1.451 9.327 1.00 0.00 H new ATOM 204 N CYS A 16 0.376 -0.809 7.790 1.00 0.00 N ATOM 205 CA CYS A 16 -0.905 -1.402 8.160 1.00 0.00 C ATOM 206 C CYS A 16 -0.934 -2.888 7.819 1.00 0.00 C ATOM 207 O CYS A 16 -1.124 -3.732 8.695 1.00 0.00 O ATOM 208 CB CYS A 16 -2.049 -0.679 7.448 1.00 0.00 C ATOM 209 SG CYS A 16 -2.714 0.731 8.364 1.00 0.00 S ATOM 0 H CYS A 16 0.303 0.089 7.312 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.031 -1.293 9.237 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.697 -0.334 6.476 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.854 -1.390 7.262 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.675 1.278 7.680 1.00 0.00 H new ATOM 215 N ILE A 17 -0.750 -3.200 6.541 1.00 0.00 N ATOM 216 CA ILE A 17 -0.756 -4.584 6.083 1.00 0.00 C ATOM 217 C ILE A 17 0.386 -5.376 6.711 1.00 0.00 C ATOM 218 O ILE A 17 1.439 -4.822 7.026 1.00 0.00 O ATOM 219 CB ILE A 17 -0.645 -4.672 4.550 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.537 -3.837 4.055 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.938 -4.207 3.898 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.824 -4.011 2.580 1.00 0.00 C ATOM 0 H ILE A 17 -0.595 -2.513 5.804 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.708 -5.014 6.394 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.474 -5.712 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.338 -2.784 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.426 -4.108 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.844 -4.275 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.761 -4.839 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.137 -3.173 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.674 -3.389 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.055 -5.056 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.050 -3.713 2.002 1.00 0.00 H new ATOM 234 N ASN A 18 0.171 -6.676 6.888 1.00 0.00 N ATOM 235 CA ASN A 18 1.183 -7.544 7.478 1.00 0.00 C ATOM 236 C ASN A 18 2.340 -7.765 6.507 1.00 0.00 C ATOM 237 O ASN A 18 2.132 -7.999 5.317 1.00 0.00 O ATOM 238 CB ASN A 18 0.566 -8.889 7.868 1.00 0.00 C ATOM 239 CG ASN A 18 -0.557 -8.739 8.876 1.00 0.00 C ATOM 240 OD1 ASN A 18 -0.330 -8.779 10.085 1.00 0.00 O ATOM 241 ND2 ASN A 18 -1.777 -8.564 8.381 1.00 0.00 N ATOM 0 H ASN A 18 -0.695 -7.151 6.631 1.00 0.00 H new ATOM 0 HA ASN A 18 1.569 -7.056 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.185 -9.384 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.340 -9.534 8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.572 -8.456 9.011 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.919 -8.537 7.371 1.00 0.00 H new ATOM 248 N LYS A 19 3.562 -7.692 7.026 1.00 0.00 N ATOM 249 CA LYS A 19 4.754 -7.886 6.209 1.00 0.00 C ATOM 250 C LYS A 19 4.501 -8.918 5.115 1.00 0.00 C ATOM 251 O LYS A 19 4.915 -8.737 3.969 1.00 0.00 O ATOM 252 CB LYS A 19 5.929 -8.329 7.083 1.00 0.00 C ATOM 253 CG LYS A 19 6.584 -7.190 7.845 1.00 0.00 C ATOM 254 CD LYS A 19 7.385 -6.289 6.921 1.00 0.00 C ATOM 255 CE LYS A 19 7.522 -4.885 7.492 1.00 0.00 C ATOM 256 NZ LYS A 19 8.604 -4.803 8.512 1.00 0.00 N ATOM 0 H LYS A 19 3.752 -7.500 8.009 1.00 0.00 H new ATOM 0 HA LYS A 19 5.000 -6.935 5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.580 -9.077 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.677 -8.812 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.819 -6.603 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.239 -7.596 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.375 -6.717 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.899 -6.241 5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.731 -4.183 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.576 -4.582 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.665 -3.831 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.393 -5.454 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.511 -5.067 8.078 1.00 0.00 H new ATOM 270 N HIS A 20 3.818 -10.001 5.475 1.00 0.00 N ATOM 271 CA HIS A 20 3.509 -11.061 4.524 1.00 0.00 C ATOM 272 C HIS A 20 2.937 -10.483 3.233 1.00 0.00 C ATOM 273 O HIS A 20 3.385 -10.821 2.136 1.00 0.00 O ATOM 274 CB HIS A 20 2.518 -12.052 5.135 1.00 0.00 C ATOM 275 CG HIS A 20 1.962 -13.031 4.147 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.755 -13.847 3.369 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.683 -13.324 3.815 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.988 -14.598 2.599 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.727 -14.300 2.851 1.00 0.00 N ATOM 0 H HIS A 20 3.469 -10.166 6.419 1.00 0.00 H new ATOM 0 HA HIS A 20 4.436 -11.584 4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.013 -12.600 5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.695 -11.498 5.587 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.206 -12.874 4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.334 -15.331 1.885 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.084 -14.726 2.402 1.00 0.00 H new ATOM 288 N TYR A 21 1.945 -9.610 3.369 1.00 0.00 N ATOM 289 CA TYR A 21 1.310 -8.988 2.214 1.00 0.00 C ATOM 290 C TYR A 21 2.245 -7.977 1.557 1.00 0.00 C ATOM 291 O TYR A 21 2.383 -7.945 0.334 1.00 0.00 O ATOM 292 CB TYR A 21 0.009 -8.300 2.631 1.00 0.00 C ATOM 293 CG TYR A 21 -1.143 -9.258 2.841 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.532 -10.137 1.839 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.841 -9.282 4.042 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.584 -11.013 2.027 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.892 -10.156 4.239 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.260 -11.019 3.228 1.00 0.00 C ATOM 299 OH TYR A 21 -4.308 -11.890 3.420 1.00 0.00 O ATOM 0 H TYR A 21 1.563 -9.317 4.268 1.00 0.00 H new ATOM 0 HA TYR A 21 1.084 -9.771 1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.181 -7.744 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.269 -7.573 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.004 -10.136 0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.557 -8.606 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.875 -11.689 1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.423 -10.164 5.180 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.675 -11.767 4.320 1.00 0.00 H new ATOM 309 N PHE A 22 2.886 -7.153 2.379 1.00 0.00 N ATOM 310 CA PHE A 22 3.809 -6.140 1.880 1.00 0.00 C ATOM 311 C PHE A 22 4.679 -6.703 0.760 1.00 0.00 C ATOM 312 O PHE A 22 4.901 -6.046 -0.258 1.00 0.00 O ATOM 313 CB PHE A 22 4.692 -5.620 3.015 1.00 0.00 C ATOM 314 CG PHE A 22 5.695 -4.593 2.572 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.296 -3.483 1.846 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.038 -4.739 2.882 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.217 -2.536 1.437 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.963 -3.796 2.476 1.00 0.00 C ATOM 319 CZ PHE A 22 7.552 -2.694 1.752 1.00 0.00 C ATOM 0 H PHE A 22 2.783 -7.167 3.394 1.00 0.00 H new ATOM 0 HA PHE A 22 3.221 -5.314 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.058 -5.187 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.219 -6.459 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.253 -3.356 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.365 -5.599 3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.893 -1.674 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.007 -3.921 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.274 -1.957 1.433 1.00 0.00 H new ATOM 329 N SER A 23 5.171 -7.922 0.956 1.00 0.00 N ATOM 330 CA SER A 23 6.021 -8.571 -0.034 1.00 0.00 C ATOM 331 C SER A 23 5.341 -8.599 -1.400 1.00 0.00 C ATOM 332 O SER A 23 5.985 -8.401 -2.432 1.00 0.00 O ATOM 333 CB SER A 23 6.358 -9.996 0.409 1.00 0.00 C ATOM 334 OG SER A 23 7.492 -10.491 -0.283 1.00 0.00 O ATOM 0 H SER A 23 4.995 -8.480 1.792 1.00 0.00 H new ATOM 0 HA SER A 23 6.943 -7.996 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.548 -10.011 1.482 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.504 -10.648 0.227 1.00 0.00 H new ATOM 0 HG SER A 23 7.688 -11.403 0.019 1.00 0.00 H new ATOM 340 N LEU A 24 4.035 -8.846 -1.399 1.00 0.00 N ATOM 341 CA LEU A 24 3.266 -8.899 -2.637 1.00 0.00 C ATOM 342 C LEU A 24 3.205 -7.527 -3.300 1.00 0.00 C ATOM 343 O LEU A 24 3.380 -7.403 -4.513 1.00 0.00 O ATOM 344 CB LEU A 24 1.851 -9.407 -2.359 1.00 0.00 C ATOM 345 CG LEU A 24 1.711 -10.913 -2.128 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.864 -11.243 -0.652 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.372 -11.411 -2.652 1.00 0.00 C ATOM 0 H LEU A 24 3.487 -9.013 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 24 3.766 -9.588 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.466 -8.888 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.215 -9.128 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 24 2.504 -11.420 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.761 -12.318 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.847 -10.923 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.093 -10.725 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.290 -12.484 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.436 -10.897 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.302 -11.209 -3.721 1.00 0.00 H new ATOM 359 N PHE A 25 2.958 -6.497 -2.496 1.00 0.00 N ATOM 360 CA PHE A 25 2.875 -5.133 -3.005 1.00 0.00 C ATOM 361 C PHE A 25 4.143 -4.758 -3.766 1.00 0.00 C ATOM 362 O PHE A 25 4.084 -4.146 -4.832 1.00 0.00 O ATOM 363 CB PHE A 25 2.648 -4.151 -1.853 1.00 0.00 C ATOM 364 CG PHE A 25 2.265 -2.772 -2.310 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.184 -2.583 -3.155 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.988 -1.664 -1.894 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.828 -1.315 -3.576 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.636 -0.395 -2.312 1.00 0.00 C ATOM 369 CZ PHE A 25 1.556 -0.220 -3.155 1.00 0.00 C ATOM 0 H PHE A 25 2.812 -6.581 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 25 2.031 -5.078 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.865 -4.541 -1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.557 -4.088 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.612 -3.436 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.835 -1.794 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.018 -1.181 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.205 0.460 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.282 0.771 -3.484 1.00 0.00 H new ATOM 379 N LYS A 26 5.291 -5.130 -3.210 1.00 0.00 N ATOM 380 CA LYS A 26 6.575 -4.835 -3.835 1.00 0.00 C ATOM 381 C LYS A 26 6.677 -5.494 -5.207 1.00 0.00 C ATOM 382 O LYS A 26 7.423 -5.035 -6.071 1.00 0.00 O ATOM 383 CB LYS A 26 7.722 -5.314 -2.942 1.00 0.00 C ATOM 384 CG LYS A 26 8.180 -4.277 -1.931 1.00 0.00 C ATOM 385 CD LYS A 26 9.328 -4.795 -1.081 1.00 0.00 C ATOM 386 CE LYS A 26 8.871 -5.898 -0.140 1.00 0.00 C ATOM 387 NZ LYS A 26 9.989 -6.406 0.704 1.00 0.00 N ATOM 0 H LYS A 26 5.358 -5.637 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 26 6.648 -3.755 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.407 -6.212 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.567 -5.595 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.492 -3.372 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.345 -4.002 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.120 -5.172 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.753 -3.975 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.074 -5.521 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.452 -6.720 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.645 -7.180 1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.753 -6.758 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.351 -5.636 1.302 1.00 0.00 H new ATOM 401 N SER A 27 5.922 -6.570 -5.400 1.00 0.00 N ATOM 402 CA SER A 27 5.928 -7.293 -6.666 1.00 0.00 C ATOM 403 C SER A 27 5.162 -6.521 -7.736 1.00 0.00 C ATOM 404 O SER A 27 5.651 -6.327 -8.850 1.00 0.00 O ATOM 405 CB SER A 27 5.317 -8.684 -6.488 1.00 0.00 C ATOM 406 OG SER A 27 5.840 -9.596 -7.438 1.00 0.00 O ATOM 0 H SER A 27 5.297 -6.961 -4.695 1.00 0.00 H new ATOM 0 HA SER A 27 6.963 -7.399 -6.990 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.520 -9.047 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.234 -8.625 -6.594 1.00 0.00 H new ATOM 0 HG SER A 27 5.435 -10.478 -7.302 1.00 0.00 H new ATOM 412 N LEU A 28 3.956 -6.082 -7.391 1.00 0.00 N ATOM 413 CA LEU A 28 3.119 -5.332 -8.320 1.00 0.00 C ATOM 414 C LEU A 28 3.806 -4.039 -8.748 1.00 0.00 C ATOM 415 O LEU A 28 3.528 -3.501 -9.821 1.00 0.00 O ATOM 416 CB LEU A 28 1.766 -5.016 -7.678 1.00 0.00 C ATOM 417 CG LEU A 28 1.032 -6.198 -7.046 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.026 -5.709 -6.070 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.404 -7.074 -8.120 1.00 0.00 C ATOM 0 H LEU A 28 3.536 -6.233 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 28 2.959 -5.948 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.919 -4.257 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.120 -4.577 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 28 1.757 -6.797 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.538 -6.565 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.449 -5.125 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.748 -5.086 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.114 -7.910 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.307 -6.486 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.183 -7.455 -8.781 1.00 0.00 H new ATOM 431 N LEU A 29 4.705 -3.545 -7.903 1.00 0.00 N ATOM 432 CA LEU A 29 5.434 -2.316 -8.195 1.00 0.00 C ATOM 433 C LEU A 29 6.817 -2.624 -8.760 1.00 0.00 C ATOM 434 O LEU A 29 7.447 -1.771 -9.385 1.00 0.00 O ATOM 435 CB LEU A 29 5.565 -1.465 -6.930 1.00 0.00 C ATOM 436 CG LEU A 29 4.357 -0.595 -6.579 1.00 0.00 C ATOM 437 CD1 LEU A 29 4.019 0.339 -7.730 1.00 0.00 C ATOM 438 CD2 LEU A 29 3.160 -1.464 -6.224 1.00 0.00 C ATOM 0 H LEU A 29 4.946 -3.977 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 29 4.872 -1.759 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.766 -2.128 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.435 -0.817 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 29 4.610 0.012 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.157 0.950 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.872 0.986 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.785 -0.248 -8.618 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.310 -0.829 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.905 -2.097 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.406 -2.090 -5.366 1.00 0.00 H new ATOM 450 N ALA A 30 7.283 -3.849 -8.535 1.00 0.00 N ATOM 451 CA ALA A 30 8.589 -4.270 -9.025 1.00 0.00 C ATOM 452 C ALA A 30 8.867 -3.699 -10.412 1.00 0.00 C ATOM 453 O ALA A 30 9.995 -3.316 -10.722 1.00 0.00 O ATOM 454 CB ALA A 30 8.678 -5.789 -9.051 1.00 0.00 C ATOM 0 H ALA A 30 6.775 -4.566 -8.017 1.00 0.00 H new ATOM 0 HA ALA A 30 9.346 -3.883 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.659 -6.090 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.533 -6.179 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.906 -6.188 -9.709 1.00 0.00 H new ATOM 460 N ARG A 31 7.830 -3.644 -11.243 1.00 0.00 N ATOM 461 CA ARG A 31 7.963 -3.120 -12.597 1.00 0.00 C ATOM 462 C ARG A 31 8.132 -1.604 -12.579 1.00 0.00 C ATOM 463 O ARG A 31 9.030 -1.062 -13.223 1.00 0.00 O ATOM 464 CB ARG A 31 6.741 -3.499 -13.434 1.00 0.00 C ATOM 465 CG ARG A 31 5.459 -3.608 -12.627 1.00 0.00 C ATOM 466 CD ARG A 31 5.251 -5.019 -12.099 1.00 0.00 C ATOM 467 NE ARG A 31 4.575 -5.874 -13.071 1.00 0.00 N ATOM 468 CZ ARG A 31 4.450 -7.189 -12.932 1.00 0.00 C ATOM 469 NH1 ARG A 31 4.951 -7.797 -11.866 1.00 0.00 N ATOM 470 NH2 ARG A 31 3.821 -7.898 -13.860 1.00 0.00 N ATOM 0 H ARG A 31 6.889 -3.956 -11.002 1.00 0.00 H new ATOM 0 HA ARG A 31 8.853 -3.561 -13.046 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.604 -2.755 -14.219 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.931 -4.452 -13.928 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.492 -2.907 -11.793 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.611 -3.322 -13.249 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.216 -5.456 -11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.664 -4.980 -11.181 1.00 0.00 H new ATOM 0 HE ARG A 31 4.177 -5.437 -13.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.434 -7.255 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.853 -8.807 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.433 -7.433 -14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.725 -8.908 -13.753 1.00 0.00 H new ATOM 484 N ASP A 32 7.262 -0.925 -11.839 1.00 0.00 N ATOM 485 CA ASP A 32 7.315 0.528 -11.738 1.00 0.00 C ATOM 486 C ASP A 32 8.581 0.977 -11.016 1.00 0.00 C ATOM 487 O ASP A 32 9.426 1.663 -11.590 1.00 0.00 O ATOM 488 CB ASP A 32 6.079 1.055 -11.003 1.00 0.00 C ATOM 489 CG ASP A 32 4.794 0.775 -11.759 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.360 -0.395 -11.776 1.00 0.00 O ATOM 491 OD2 ASP A 32 4.224 1.726 -12.332 1.00 0.00 O ATOM 0 H ASP A 32 6.512 -1.358 -11.300 1.00 0.00 H new ATOM 0 HA ASP A 32 7.330 0.937 -12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.024 0.597 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.181 2.129 -10.850 1.00 0.00 H new ATOM 496 N LEU A 33 8.704 0.587 -9.752 1.00 0.00 N ATOM 497 CA LEU A 33 9.867 0.949 -8.949 1.00 0.00 C ATOM 498 C LEU A 33 11.123 0.256 -9.467 1.00 0.00 C ATOM 499 O LEU A 33 12.238 0.585 -9.060 1.00 0.00 O ATOM 500 CB LEU A 33 9.635 0.580 -7.482 1.00 0.00 C ATOM 501 CG LEU A 33 8.382 1.168 -6.833 1.00 0.00 C ATOM 502 CD1 LEU A 33 8.215 0.636 -5.418 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.448 2.688 -6.828 1.00 0.00 C ATOM 0 H LEU A 33 8.013 0.020 -9.261 1.00 0.00 H new ATOM 0 HA LEU A 33 10.010 2.027 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.584 -0.506 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.503 0.900 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 33 7.515 0.863 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.318 1.065 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.123 -0.450 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.085 0.911 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.548 3.090 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.323 3.012 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.520 3.052 -7.853 1.00 0.00 H new ATOM 515 N ASN A 34 10.936 -0.702 -10.368 1.00 0.00 N ATOM 516 CA ASN A 34 12.054 -1.440 -10.943 1.00 0.00 C ATOM 517 C ASN A 34 12.854 -2.151 -9.855 1.00 0.00 C ATOM 518 O ASN A 34 14.082 -2.062 -9.813 1.00 0.00 O ATOM 519 CB ASN A 34 12.967 -0.494 -11.727 1.00 0.00 C ATOM 520 CG ASN A 34 12.563 -0.376 -13.183 1.00 0.00 C ATOM 521 OD1 ASN A 34 12.088 -1.337 -13.788 1.00 0.00 O ATOM 522 ND2 ASN A 34 12.751 0.808 -13.754 1.00 0.00 N ATOM 0 H ASN A 34 10.020 -0.986 -10.716 1.00 0.00 H new ATOM 0 HA ASN A 34 11.650 -2.191 -11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.945 0.493 -11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.995 -0.852 -11.666 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.498 0.948 -14.732 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.148 1.577 -13.214 1.00 0.00 H new ATOM 529 N LEU A 35 12.149 -2.858 -8.978 1.00 0.00 N ATOM 530 CA LEU A 35 12.792 -3.586 -7.890 1.00 0.00 C ATOM 531 C LEU A 35 13.460 -4.858 -8.405 1.00 0.00 C ATOM 532 O LEU A 35 13.183 -5.309 -9.516 1.00 0.00 O ATOM 533 CB LEU A 35 11.769 -3.936 -6.809 1.00 0.00 C ATOM 534 CG LEU A 35 10.986 -2.762 -6.220 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.777 -3.261 -5.444 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.884 -1.917 -5.328 1.00 0.00 C ATOM 0 H LEU A 35 11.133 -2.942 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 35 13.560 -2.943 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.057 -4.648 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.288 -4.444 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 35 10.632 -2.138 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.233 -2.411 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.123 -3.822 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.108 -3.908 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.311 -1.086 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.268 -2.530 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.717 -1.529 -5.914 1.00 0.00 H new ATOM 548 N GLU A 36 14.340 -5.431 -7.589 1.00 0.00 N ATOM 549 CA GLU A 36 15.044 -6.652 -7.963 1.00 0.00 C ATOM 550 C GLU A 36 14.258 -7.887 -7.537 1.00 0.00 C ATOM 551 O GLU A 36 14.314 -8.304 -6.380 1.00 0.00 O ATOM 552 CB GLU A 36 16.437 -6.677 -7.329 1.00 0.00 C ATOM 553 CG GLU A 36 17.445 -5.786 -8.036 1.00 0.00 C ATOM 554 CD GLU A 36 18.620 -5.418 -7.151 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.500 -4.444 -6.379 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.660 -6.105 -7.231 1.00 0.00 O ATOM 0 H GLU A 36 14.582 -5.070 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 36 15.145 -6.665 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.358 -6.366 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.808 -7.702 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.812 -6.295 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.948 -4.876 -8.371 1.00 0.00 H new ATOM 563 N ARG A 37 13.522 -8.467 -8.480 1.00 0.00 N ATOM 564 CA ARG A 37 12.722 -9.653 -8.203 1.00 0.00 C ATOM 565 C ARG A 37 13.486 -10.630 -7.315 1.00 0.00 C ATOM 566 O ARG A 37 12.888 -11.442 -6.610 1.00 0.00 O ATOM 567 CB ARG A 37 12.323 -10.342 -9.510 1.00 0.00 C ATOM 568 CG ARG A 37 13.506 -10.844 -10.319 1.00 0.00 C ATOM 569 CD ARG A 37 13.116 -12.016 -11.208 1.00 0.00 C ATOM 570 NE ARG A 37 12.649 -11.575 -12.520 1.00 0.00 N ATOM 571 CZ ARG A 37 11.984 -12.356 -13.364 1.00 0.00 C ATOM 572 NH1 ARG A 37 11.706 -13.610 -13.034 1.00 0.00 N ATOM 573 NH2 ARG A 37 11.594 -11.883 -14.540 1.00 0.00 N ATOM 0 H ARG A 37 13.464 -8.134 -9.442 1.00 0.00 H new ATOM 0 HA ARG A 37 11.822 -9.337 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.667 -11.182 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.748 -9.644 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.898 -10.034 -10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.307 -11.148 -9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.973 -12.678 -11.332 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.333 -12.596 -10.720 1.00 0.00 H new ATOM 0 HE ARG A 37 12.844 -10.615 -12.804 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.003 -13.977 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.195 -14.207 -13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.805 -10.919 -14.797 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.083 -12.484 -15.187 1.00 0.00 H new ATOM 587 N ASP A 38 14.811 -10.545 -7.353 1.00 0.00 N ATOM 588 CA ASP A 38 15.658 -11.419 -6.552 1.00 0.00 C ATOM 589 C ASP A 38 16.049 -10.746 -5.240 1.00 0.00 C ATOM 590 O ASP A 38 16.200 -11.406 -4.213 1.00 0.00 O ATOM 591 CB ASP A 38 16.914 -11.806 -7.335 1.00 0.00 C ATOM 592 CG ASP A 38 17.957 -12.478 -6.462 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.887 -13.714 -6.301 1.00 0.00 O ATOM 594 OD2 ASP A 38 18.840 -11.767 -5.939 1.00 0.00 O ATOM 0 H ASP A 38 15.322 -9.878 -7.931 1.00 0.00 H new ATOM 0 HA ASP A 38 15.091 -12.321 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.639 -12.477 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.345 -10.914 -7.789 1.00 0.00 H new ATOM 599 N ASN A 39 16.211 -9.427 -5.284 1.00 0.00 N ATOM 600 CA ASN A 39 16.586 -8.664 -4.099 1.00 0.00 C ATOM 601 C ASN A 39 15.445 -7.753 -3.655 1.00 0.00 C ATOM 602 O ASN A 39 15.653 -6.573 -3.376 1.00 0.00 O ATOM 603 CB ASN A 39 17.838 -7.832 -4.378 1.00 0.00 C ATOM 604 CG ASN A 39 18.681 -7.621 -3.134 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.086 -6.499 -2.829 1.00 0.00 O ATOM 606 ND2 ASN A 39 18.949 -8.702 -2.411 1.00 0.00 N ATOM 0 H ASN A 39 16.089 -8.865 -6.127 1.00 0.00 H new ATOM 0 HA ASN A 39 16.798 -9.369 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.438 -8.328 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.545 -6.864 -4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.512 -8.622 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.592 -9.612 -2.702 1.00 0.00 H new ATOM 613 N GLN A 40 14.239 -8.311 -3.593 1.00 0.00 N ATOM 614 CA GLN A 40 13.066 -7.548 -3.184 1.00 0.00 C ATOM 615 C GLN A 40 12.934 -7.526 -1.665 1.00 0.00 C ATOM 616 O GLN A 40 12.127 -6.778 -1.114 1.00 0.00 O ATOM 617 CB GLN A 40 11.802 -8.142 -3.809 1.00 0.00 C ATOM 618 CG GLN A 40 11.447 -7.534 -5.157 1.00 0.00 C ATOM 619 CD GLN A 40 10.220 -8.171 -5.778 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.406 -8.783 -5.086 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.078 -8.028 -7.090 1.00 0.00 N ATOM 0 H GLN A 40 14.050 -9.287 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 40 13.189 -6.523 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.936 -9.217 -3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.966 -7.999 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.275 -6.465 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.293 -7.645 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.777 -7.513 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.270 -8.433 -7.563 1.00 0.00 H new ATOM 630 N GLU A 41 13.732 -8.351 -0.994 1.00 0.00 N ATOM 631 CA GLU A 41 13.702 -8.425 0.462 1.00 0.00 C ATOM 632 C GLU A 41 14.393 -7.214 1.084 1.00 0.00 C ATOM 633 O GLU A 41 13.852 -6.573 1.983 1.00 0.00 O ATOM 634 CB GLU A 41 14.376 -9.712 0.943 1.00 0.00 C ATOM 635 CG GLU A 41 15.809 -9.866 0.461 1.00 0.00 C ATOM 636 CD GLU A 41 16.215 -11.316 0.288 1.00 0.00 C ATOM 637 OE1 GLU A 41 15.476 -12.061 -0.391 1.00 0.00 O ATOM 638 OE2 GLU A 41 17.269 -11.708 0.831 1.00 0.00 O ATOM 0 H GLU A 41 14.406 -8.977 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 41 12.659 -8.428 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.364 -9.733 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.793 -10.567 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.927 -9.344 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.481 -9.387 1.173 1.00 0.00 H new ATOM 645 N GLN A 42 15.592 -6.909 0.596 1.00 0.00 N ATOM 646 CA GLN A 42 16.357 -5.777 1.105 1.00 0.00 C ATOM 647 C GLN A 42 15.473 -4.542 1.245 1.00 0.00 C ATOM 648 O GLN A 42 15.646 -3.744 2.167 1.00 0.00 O ATOM 649 CB GLN A 42 17.534 -5.473 0.176 1.00 0.00 C ATOM 650 CG GLN A 42 17.130 -5.277 -1.276 1.00 0.00 C ATOM 651 CD GLN A 42 18.046 -4.321 -2.013 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.057 -3.871 -1.473 1.00 0.00 O ATOM 653 NE2 GLN A 42 17.696 -4.003 -3.254 1.00 0.00 N ATOM 0 H GLN A 42 16.054 -7.429 -0.150 1.00 0.00 H new ATOM 0 HA GLN A 42 16.739 -6.042 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.041 -4.574 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.254 -6.289 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.134 -6.242 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.108 -4.899 -1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.850 -4.399 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.274 -3.362 -3.799 1.00 0.00 H new ATOM 662 N TYR A 43 14.526 -4.390 0.326 1.00 0.00 N ATOM 663 CA TYR A 43 13.616 -3.251 0.346 1.00 0.00 C ATOM 664 C TYR A 43 12.656 -3.341 1.529 1.00 0.00 C ATOM 665 O TYR A 43 11.933 -4.325 1.684 1.00 0.00 O ATOM 666 CB TYR A 43 12.826 -3.179 -0.962 1.00 0.00 C ATOM 667 CG TYR A 43 13.662 -2.765 -2.152 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.357 -1.561 -2.151 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.754 -3.575 -3.276 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.121 -1.178 -3.236 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.516 -3.200 -4.366 1.00 0.00 C ATOM 672 CZ TYR A 43 15.198 -2.001 -4.341 1.00 0.00 C ATOM 673 OH TYR A 43 15.957 -1.623 -5.425 1.00 0.00 O ATOM 0 H TYR A 43 14.368 -5.042 -0.443 1.00 0.00 H new ATOM 0 HA TYR A 43 14.212 -2.345 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.381 -4.154 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.005 -2.473 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.299 -0.915 -1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.221 -4.514 -3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.655 -0.240 -3.220 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.577 -3.842 -5.232 1.00 0.00 H new ATOM 0 HH TYR A 43 15.905 -2.314 -6.118 1.00 0.00 H new ATOM 683 N THR A 44 12.656 -2.304 2.362 1.00 0.00 N ATOM 684 CA THR A 44 11.787 -2.265 3.532 1.00 0.00 C ATOM 685 C THR A 44 10.538 -1.434 3.260 1.00 0.00 C ATOM 686 O THR A 44 10.315 -0.976 2.139 1.00 0.00 O ATOM 687 CB THR A 44 12.519 -1.686 4.756 1.00 0.00 C ATOM 688 OG1 THR A 44 12.844 -0.309 4.528 1.00 0.00 O ATOM 689 CG2 THR A 44 13.791 -2.470 5.047 1.00 0.00 C ATOM 0 H THR A 44 13.248 -1.481 2.248 1.00 0.00 H new ATOM 0 HA THR A 44 11.497 -3.294 3.746 1.00 0.00 H new ATOM 0 HB THR A 44 11.856 -1.765 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.308 0.052 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.291 -2.042 5.916 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.539 -3.511 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.455 -2.419 4.184 1.00 0.00 H new ATOM 697 N THR A 45 9.725 -1.241 4.295 1.00 0.00 N ATOM 698 CA THR A 45 8.498 -0.465 4.167 1.00 0.00 C ATOM 699 C THR A 45 8.802 1.013 3.953 1.00 0.00 C ATOM 700 O THR A 45 7.932 1.783 3.545 1.00 0.00 O ATOM 701 CB THR A 45 7.606 -0.617 5.413 1.00 0.00 C ATOM 702 OG1 THR A 45 8.384 -0.427 6.600 1.00 0.00 O ATOM 703 CG2 THR A 45 6.951 -1.991 5.446 1.00 0.00 C ATOM 0 H THR A 45 9.895 -1.611 5.230 1.00 0.00 H new ATOM 0 HA THR A 45 7.967 -0.854 3.298 1.00 0.00 H new ATOM 0 HB THR A 45 6.824 0.141 5.366 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.808 -0.524 7.387 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.326 -2.075 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.336 -2.122 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.722 -2.761 5.471 1.00 0.00 H new ATOM 711 N ILE A 46 10.042 1.404 4.230 1.00 0.00 N ATOM 712 CA ILE A 46 10.461 2.790 4.064 1.00 0.00 C ATOM 713 C ILE A 46 10.962 3.048 2.647 1.00 0.00 C ATOM 714 O ILE A 46 10.311 3.739 1.864 1.00 0.00 O ATOM 715 CB ILE A 46 11.568 3.167 5.065 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.019 3.160 6.493 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.151 4.531 4.724 1.00 0.00 C ATOM 718 CD1 ILE A 46 11.886 3.911 7.479 1.00 0.00 C ATOM 0 H ILE A 46 10.774 0.780 4.570 1.00 0.00 H new ATOM 0 HA ILE A 46 9.584 3.409 4.254 1.00 0.00 H new ATOM 0 HB ILE A 46 12.364 2.426 4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.021 3.599 6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.913 2.128 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.932 4.782 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.575 4.505 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.364 5.284 4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.435 3.864 8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.877 3.459 7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.972 4.952 7.169 1.00 0.00 H new ATOM 730 N GLN A 47 12.123 2.486 2.326 1.00 0.00 N ATOM 731 CA GLN A 47 12.712 2.655 1.002 1.00 0.00 C ATOM 732 C GLN A 47 11.632 2.687 -0.074 1.00 0.00 C ATOM 733 O GLN A 47 11.635 3.558 -0.944 1.00 0.00 O ATOM 734 CB GLN A 47 13.703 1.526 0.715 1.00 0.00 C ATOM 735 CG GLN A 47 14.921 1.537 1.624 1.00 0.00 C ATOM 736 CD GLN A 47 15.967 0.522 1.211 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.311 0.409 0.034 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.482 -0.226 2.180 1.00 0.00 N ATOM 0 H GLN A 47 12.674 1.911 2.963 1.00 0.00 H new ATOM 0 HA GLN A 47 13.242 3.607 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.191 0.570 0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.033 1.599 -0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.365 2.533 1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.607 1.333 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.169 -0.100 3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.191 -0.926 1.962 1.00 0.00 H new ATOM 747 N ILE A 48 10.710 1.732 -0.009 1.00 0.00 N ATOM 748 CA ILE A 48 9.624 1.652 -0.977 1.00 0.00 C ATOM 749 C ILE A 48 8.728 2.883 -0.901 1.00 0.00 C ATOM 750 O ILE A 48 8.293 3.411 -1.923 1.00 0.00 O ATOM 751 CB ILE A 48 8.767 0.392 -0.759 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.624 -0.867 -0.907 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.604 0.366 -1.739 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.242 -1.019 -2.279 1.00 0.00 C ATOM 0 H ILE A 48 10.694 1.003 0.704 1.00 0.00 H new ATOM 0 HA ILE A 48 10.084 1.601 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 48 8.363 0.416 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.418 -0.846 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.010 -1.742 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.008 -0.531 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.982 1.248 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.988 0.362 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.836 -1.933 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.453 -1.072 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.883 -0.162 -2.486 1.00 0.00 H new ATOM 766 N ALA A 49 8.457 3.336 0.319 1.00 0.00 N ATOM 767 CA ALA A 49 7.615 4.507 0.530 1.00 0.00 C ATOM 768 C ALA A 49 8.177 5.725 -0.197 1.00 0.00 C ATOM 769 O ALA A 49 7.442 6.462 -0.853 1.00 0.00 O ATOM 770 CB ALA A 49 7.475 4.796 2.017 1.00 0.00 C ATOM 0 H ALA A 49 8.809 2.909 1.176 1.00 0.00 H new ATOM 0 HA ALA A 49 6.629 4.293 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.844 5.673 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.021 3.938 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.459 4.984 2.445 1.00 0.00 H new ATOM 776 N ASN A 50 9.485 5.930 -0.075 1.00 0.00 N ATOM 777 CA ASN A 50 10.145 7.059 -0.719 1.00 0.00 C ATOM 778 C ASN A 50 10.014 6.973 -2.236 1.00 0.00 C ATOM 779 O ASN A 50 9.463 7.870 -2.874 1.00 0.00 O ATOM 780 CB ASN A 50 11.623 7.106 -0.325 1.00 0.00 C ATOM 781 CG ASN A 50 11.838 7.729 1.040 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.688 8.939 1.214 1.00 0.00 O ATOM 783 ND2 ASN A 50 12.192 6.903 2.018 1.00 0.00 N ATOM 0 H ASN A 50 10.108 5.329 0.464 1.00 0.00 H new ATOM 0 HA ASN A 50 9.657 7.973 -0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.029 6.095 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.177 7.674 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.351 7.265 2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.305 5.907 1.829 1.00 0.00 H new ATOM 790 N MET A 51 10.525 5.887 -2.808 1.00 0.00 N ATOM 791 CA MET A 51 10.462 5.682 -4.250 1.00 0.00 C ATOM 792 C MET A 51 9.068 5.996 -4.785 1.00 0.00 C ATOM 793 O MET A 51 8.921 6.560 -5.869 1.00 0.00 O ATOM 794 CB MET A 51 10.843 4.242 -4.599 1.00 0.00 C ATOM 795 CG MET A 51 12.338 3.976 -4.537 1.00 0.00 C ATOM 796 SD MET A 51 12.842 2.595 -5.580 1.00 0.00 S ATOM 797 CE MET A 51 13.047 1.304 -4.355 1.00 0.00 C ATOM 0 H MET A 51 10.987 5.136 -2.295 1.00 0.00 H new ATOM 0 HA MET A 51 11.173 6.362 -4.719 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.333 3.564 -3.914 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.483 4.013 -5.602 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.876 4.873 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.624 3.770 -3.505 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.410 0.397 -4.839 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.767 1.627 -3.603 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.089 1.101 -3.876 1.00 0.00 H new ATOM 807 N MET A 52 8.049 5.625 -4.018 1.00 0.00 N ATOM 808 CA MET A 52 6.666 5.868 -4.414 1.00 0.00 C ATOM 809 C MET A 52 6.324 7.351 -4.311 1.00 0.00 C ATOM 810 O MET A 52 5.733 7.925 -5.226 1.00 0.00 O ATOM 811 CB MET A 52 5.711 5.050 -3.543 1.00 0.00 C ATOM 812 CG MET A 52 5.661 3.577 -3.914 1.00 0.00 C ATOM 813 SD MET A 52 4.156 2.767 -3.340 1.00 0.00 S ATOM 814 CE MET A 52 3.165 2.796 -4.832 1.00 0.00 C ATOM 0 H MET A 52 8.154 5.155 -3.119 1.00 0.00 H new ATOM 0 HA MET A 52 6.552 5.558 -5.453 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.013 5.143 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.709 5.471 -3.623 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.733 3.476 -4.997 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.527 3.070 -3.489 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.207 2.313 -4.642 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.996 3.829 -5.137 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.688 2.264 -5.627 1.00 0.00 H new ATOM 824 N GLU A 53 6.699 7.964 -3.194 1.00 0.00 N ATOM 825 CA GLU A 53 6.430 9.380 -2.972 1.00 0.00 C ATOM 826 C GLU A 53 6.844 10.208 -4.185 1.00 0.00 C ATOM 827 O GLU A 53 6.226 11.227 -4.493 1.00 0.00 O ATOM 828 CB GLU A 53 7.169 9.874 -1.726 1.00 0.00 C ATOM 829 CG GLU A 53 6.361 9.741 -0.447 1.00 0.00 C ATOM 830 CD GLU A 53 5.515 10.966 -0.160 1.00 0.00 C ATOM 831 OE1 GLU A 53 5.125 11.658 -1.125 1.00 0.00 O ATOM 832 OE2 GLU A 53 5.242 11.233 1.029 1.00 0.00 O ATOM 0 H GLU A 53 7.190 7.503 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 53 5.357 9.501 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.098 9.314 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.442 10.920 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.714 8.867 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.038 9.568 0.389 1.00 0.00 H new ATOM 839 N GLU A 54 7.895 9.764 -4.867 1.00 0.00 N ATOM 840 CA GLU A 54 8.392 10.465 -6.045 1.00 0.00 C ATOM 841 C GLU A 54 7.721 9.945 -7.312 1.00 0.00 C ATOM 842 O GLU A 54 7.285 10.722 -8.162 1.00 0.00 O ATOM 843 CB GLU A 54 9.910 10.306 -6.157 1.00 0.00 C ATOM 844 CG GLU A 54 10.670 10.858 -4.963 1.00 0.00 C ATOM 845 CD GLU A 54 12.068 11.321 -5.324 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.196 12.168 -6.233 1.00 0.00 O ATOM 847 OE2 GLU A 54 13.034 10.836 -4.699 1.00 0.00 O ATOM 0 H GLU A 54 8.418 8.923 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 54 8.151 11.522 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.149 9.249 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.254 10.810 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.113 11.693 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.733 10.091 -4.191 1.00 0.00 H new ATOM 854 N LYS A 55 7.641 8.624 -7.433 1.00 0.00 N ATOM 855 CA LYS A 55 7.022 7.998 -8.596 1.00 0.00 C ATOM 856 C LYS A 55 5.616 8.542 -8.823 1.00 0.00 C ATOM 857 O LYS A 55 5.279 8.979 -9.923 1.00 0.00 O ATOM 858 CB LYS A 55 6.970 6.479 -8.414 1.00 0.00 C ATOM 859 CG LYS A 55 8.317 5.799 -8.584 1.00 0.00 C ATOM 860 CD LYS A 55 8.668 5.617 -10.051 1.00 0.00 C ATOM 861 CE LYS A 55 7.894 4.462 -10.670 1.00 0.00 C ATOM 862 NZ LYS A 55 8.201 4.303 -12.118 1.00 0.00 N ATOM 0 H LYS A 55 7.997 7.966 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 55 7.628 8.233 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.582 6.254 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.267 6.059 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.090 6.392 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.300 4.828 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.450 6.536 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.738 5.434 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.136 3.539 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.825 4.631 -10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.316 4.314 -12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.811 5.085 -12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.691 3.399 -12.272 1.00 0.00 H new ATOM 876 N PHE A 56 4.800 8.516 -7.774 1.00 0.00 N ATOM 877 CA PHE A 56 3.429 9.008 -7.860 1.00 0.00 C ATOM 878 C PHE A 56 3.196 10.143 -6.869 1.00 0.00 C ATOM 879 O PHE A 56 2.698 9.942 -5.761 1.00 0.00 O ATOM 880 CB PHE A 56 2.440 7.871 -7.593 1.00 0.00 C ATOM 881 CG PHE A 56 2.955 6.519 -7.994 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.773 6.048 -9.285 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.625 5.719 -7.082 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.246 4.804 -9.657 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.101 4.474 -7.450 1.00 0.00 C ATOM 886 CZ PHE A 56 3.912 4.018 -8.739 1.00 0.00 C ATOM 0 H PHE A 56 5.064 8.160 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 56 3.269 9.391 -8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.194 7.856 -6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.514 8.072 -8.132 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.255 6.660 -10.009 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.777 6.072 -6.073 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.095 4.447 -10.665 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.620 3.859 -6.730 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.285 3.047 -9.029 1.00 0.00 H new ATOM 896 N PRO A 57 3.565 11.367 -7.275 1.00 0.00 N ATOM 897 CA PRO A 57 3.406 12.561 -6.439 1.00 0.00 C ATOM 898 C PRO A 57 1.944 12.953 -6.261 1.00 0.00 C ATOM 899 O PRO A 57 1.633 13.949 -5.607 1.00 0.00 O ATOM 900 CB PRO A 57 4.158 13.643 -7.217 1.00 0.00 C ATOM 901 CG PRO A 57 4.125 13.183 -8.634 1.00 0.00 C ATOM 902 CD PRO A 57 4.165 11.681 -8.584 1.00 0.00 C ATOM 0 HA PRO A 57 3.784 12.403 -5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.679 14.616 -7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.182 13.749 -6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.223 13.533 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.974 13.577 -9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.599 11.236 -9.403 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.185 11.303 -8.660 1.00 0.00 H new ATOM 910 N ALA A 58 1.048 12.165 -6.846 1.00 0.00 N ATOM 911 CA ALA A 58 -0.382 12.428 -6.749 1.00 0.00 C ATOM 912 C ALA A 58 -1.004 11.667 -5.582 1.00 0.00 C ATOM 913 O ALA A 58 -1.644 12.259 -4.713 1.00 0.00 O ATOM 914 CB ALA A 58 -1.077 12.060 -8.052 1.00 0.00 C ATOM 0 H ALA A 58 1.288 11.338 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.517 13.494 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.145 12.262 -7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.661 12.653 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.924 11.001 -8.260 1.00 0.00 H new ATOM 920 N ASP A 59 -0.811 10.353 -5.570 1.00 0.00 N ATOM 921 CA ASP A 59 -1.352 9.511 -4.510 1.00 0.00 C ATOM 922 C ASP A 59 -0.255 9.087 -3.539 1.00 0.00 C ATOM 923 O ASP A 59 -0.530 8.493 -2.496 1.00 0.00 O ATOM 924 CB ASP A 59 -2.029 8.275 -5.106 1.00 0.00 C ATOM 925 CG ASP A 59 -1.396 7.843 -6.414 1.00 0.00 C ATOM 926 OD1 ASP A 59 -1.732 8.438 -7.459 1.00 0.00 O ATOM 927 OD2 ASP A 59 -0.566 6.911 -6.393 1.00 0.00 O ATOM 0 H ASP A 59 -0.284 9.848 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.093 10.092 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.975 7.454 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.086 8.486 -5.269 1.00 0.00 H new ATOM 932 N SER A 60 0.989 9.394 -3.890 1.00 0.00 N ATOM 933 CA SER A 60 2.130 9.039 -3.052 1.00 0.00 C ATOM 934 C SER A 60 2.111 7.553 -2.709 1.00 0.00 C ATOM 935 O SER A 60 2.628 7.137 -1.673 1.00 0.00 O ATOM 936 CB SER A 60 2.124 9.872 -1.769 1.00 0.00 C ATOM 937 OG SER A 60 1.851 11.234 -2.045 1.00 0.00 O ATOM 0 H SER A 60 1.234 9.888 -4.748 1.00 0.00 H new ATOM 0 HA SER A 60 3.041 9.252 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.375 9.480 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.090 9.785 -1.271 1.00 0.00 H new ATOM 0 HG SER A 60 1.851 11.744 -1.208 1.00 0.00 H new ATOM 943 N GLY A 61 1.507 6.756 -3.586 1.00 0.00 N ATOM 944 CA GLY A 61 1.430 5.325 -3.358 1.00 0.00 C ATOM 945 C GLY A 61 0.213 4.933 -2.545 1.00 0.00 C ATOM 946 O GLY A 61 0.170 3.847 -1.964 1.00 0.00 O ATOM 0 H GLY A 61 1.070 7.076 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.404 4.808 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.331 4.993 -2.841 1.00 0.00 H new ATOM 950 N LEU A 62 -0.778 5.816 -2.503 1.00 0.00 N ATOM 951 CA LEU A 62 -2.003 5.556 -1.754 1.00 0.00 C ATOM 952 C LEU A 62 -2.926 4.620 -2.526 1.00 0.00 C ATOM 953 O LEU A 62 -3.092 3.456 -2.162 1.00 0.00 O ATOM 954 CB LEU A 62 -2.726 6.869 -1.450 1.00 0.00 C ATOM 955 CG LEU A 62 -4.188 6.746 -1.019 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.309 5.857 0.209 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.782 8.120 -0.746 1.00 0.00 C ATOM 0 H LEU A 62 -0.758 6.718 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.730 5.073 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.179 7.388 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.682 7.499 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.749 6.286 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.356 5.781 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.924 4.864 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.734 6.288 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.823 8.012 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.219 8.608 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.730 8.725 -1.651 1.00 0.00 H new ATOM 969 N GLY A 63 -3.522 5.135 -3.596 1.00 0.00 N ATOM 970 CA GLY A 63 -4.420 4.331 -4.405 1.00 0.00 C ATOM 971 C GLY A 63 -3.844 2.965 -4.725 1.00 0.00 C ATOM 972 O GLY A 63 -4.445 1.940 -4.402 1.00 0.00 O ATOM 0 H GLY A 63 -3.399 6.095 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.367 4.209 -3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.637 4.858 -5.334 1.00 0.00 H new ATOM 976 N LYS A 64 -2.680 2.950 -5.363 1.00 0.00 N ATOM 977 CA LYS A 64 -2.023 1.700 -5.728 1.00 0.00 C ATOM 978 C LYS A 64 -2.077 0.701 -4.577 1.00 0.00 C ATOM 979 O LYS A 64 -2.213 -0.504 -4.794 1.00 0.00 O ATOM 980 CB LYS A 64 -0.567 1.962 -6.122 1.00 0.00 C ATOM 981 CG LYS A 64 -0.017 0.957 -7.119 1.00 0.00 C ATOM 982 CD LYS A 64 -0.610 1.161 -8.501 1.00 0.00 C ATOM 983 CE LYS A 64 0.362 0.739 -9.593 1.00 0.00 C ATOM 984 NZ LYS A 64 1.397 1.778 -9.847 1.00 0.00 N ATOM 0 H LYS A 64 -2.171 3.790 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.553 1.275 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.489 2.963 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.052 1.947 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.068 1.050 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.234 -0.054 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.532 0.586 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.874 2.210 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.847 -0.194 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.189 0.543 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.039 1.452 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.936 2.661 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.940 1.948 -8.976 1.00 0.00 H new ATOM 998 N LEU A 65 -1.973 1.207 -3.353 1.00 0.00 N ATOM 999 CA LEU A 65 -2.013 0.359 -2.168 1.00 0.00 C ATOM 1000 C LEU A 65 -3.446 -0.035 -1.827 1.00 0.00 C ATOM 1001 O LEU A 65 -3.735 -1.204 -1.570 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.374 1.079 -0.979 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.090 0.221 0.253 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.391 -0.216 0.911 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.249 -0.990 -0.123 1.00 0.00 C ATOM 0 H LEU A 65 -1.860 2.201 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.448 -0.548 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.436 1.524 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.028 1.899 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.528 0.822 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.169 -0.826 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.958 0.664 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.979 -0.799 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.056 -1.590 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.785 -1.592 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.698 -0.657 -0.548 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.341 0.948 -1.830 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.745 0.702 -1.526 1.00 0.00 C ATOM 1019 C ILE A 66 -6.269 -0.512 -2.284 1.00 0.00 C ATOM 1020 O ILE A 66 -6.813 -1.440 -1.687 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.618 1.924 -1.870 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.410 3.034 -0.837 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.084 1.525 -1.940 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.026 4.356 -1.239 1.00 0.00 C ATOM 0 H ILE A 66 -4.119 1.921 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.806 0.511 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.318 2.303 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.837 2.718 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.341 3.174 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.688 2.399 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.218 0.765 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.398 1.124 -0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.840 5.096 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.582 4.695 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.101 4.231 -1.371 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.097 -0.499 -3.602 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.552 -1.600 -4.442 1.00 0.00 C ATOM 1038 C GLU A 67 -5.947 -2.922 -3.980 1.00 0.00 C ATOM 1039 O GLU A 67 -6.649 -3.923 -3.836 1.00 0.00 O ATOM 1040 CB GLU A 67 -6.185 -1.341 -5.905 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.954 -0.192 -6.532 1.00 0.00 C ATOM 1042 CD GLU A 67 -8.419 -0.518 -6.745 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -9.182 -0.502 -5.756 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -8.804 -0.791 -7.901 1.00 0.00 O ATOM 0 H GLU A 67 -5.646 0.261 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.636 -1.666 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.117 -1.131 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.368 -2.247 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.870 0.687 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.500 0.065 -7.489 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.637 -2.918 -3.750 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.936 -4.118 -3.307 1.00 0.00 C ATOM 1053 C PHE A 68 -4.660 -4.769 -2.132 1.00 0.00 C ATOM 1054 O PHE A 68 -4.641 -5.991 -1.976 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.499 -3.774 -2.906 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.785 -4.899 -2.213 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.308 -5.983 -2.932 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.592 -4.873 -0.841 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.650 -7.019 -2.297 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.934 -5.907 -0.201 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.464 -6.982 -0.929 1.00 0.00 C ATOM 0 H PHE A 68 -4.041 -2.098 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.917 -4.825 -4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.939 -3.493 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.512 -2.903 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.452 -6.019 -4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.959 -4.036 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.281 -7.857 -2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.788 -5.874 0.869 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.048 -7.792 -0.430 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.300 -3.945 -1.309 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.031 -4.439 -0.148 1.00 0.00 C ATOM 1073 C CYS A 69 -7.378 -5.024 -0.562 1.00 0.00 C ATOM 1074 O CYS A 69 -7.830 -6.021 0.000 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.240 -3.314 0.867 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.721 -2.759 1.677 1.00 0.00 S ATOM 0 H CYS A 69 -5.327 -2.932 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.439 -5.229 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.701 -2.465 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.943 -3.652 1.629 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.000 -1.805 2.515 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.013 -4.395 -1.545 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.309 -4.852 -2.031 1.00 0.00 C ATOM 1084 C GLU A 70 -9.238 -6.309 -2.483 1.00 0.00 C ATOM 1085 O GLU A 70 -9.907 -7.176 -1.922 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.785 -3.971 -3.188 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.390 -2.652 -2.738 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.874 -2.759 -2.450 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.506 -3.721 -2.935 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.405 -1.880 -1.738 1.00 0.00 O ATOM 0 H GLU A 70 -7.651 -3.568 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.022 -4.778 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.943 -3.768 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.524 -4.520 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.874 -2.307 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.227 -1.900 -3.510 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.423 -6.567 -3.501 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.266 -7.918 -4.029 1.00 0.00 C ATOM 1099 C GLU A 71 -8.314 -8.949 -2.906 1.00 0.00 C ATOM 1100 O GLU A 71 -8.896 -10.024 -3.059 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.946 -8.039 -4.793 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.755 -8.354 -3.905 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.481 -8.584 -4.696 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.330 -7.967 -5.771 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.636 -9.381 -4.238 1.00 0.00 O ATOM 0 H GLU A 71 -7.862 -5.860 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.092 -8.113 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.043 -8.820 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.756 -7.106 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.601 -7.532 -3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.974 -9.241 -3.311 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.695 -8.616 -1.777 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.666 -9.513 -0.628 1.00 0.00 C ATOM 1114 C VAL A 72 -8.833 -9.236 0.313 1.00 0.00 C ATOM 1115 O VAL A 72 -9.091 -8.098 0.705 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.347 -9.380 0.155 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.094 -10.624 0.992 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.188 -9.122 -0.796 1.00 0.00 C ATOM 0 H VAL A 72 -7.207 -7.732 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.748 -10.528 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.430 -8.529 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.157 -10.511 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.912 -10.759 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.031 -11.495 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.263 -9.031 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.101 -9.952 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.368 -8.199 -1.347 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.557 -10.302 0.689 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.708 -10.201 1.590 1.00 0.00 C ATOM 1130 C PRO A 73 -10.297 -9.854 3.017 1.00 0.00 C ATOM 1131 O PRO A 73 -11.101 -9.345 3.798 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.325 -11.599 1.536 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.198 -12.498 1.161 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.306 -11.689 0.261 1.00 0.00 C ATOM 0 HA PRO A 73 -11.392 -9.407 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.752 -11.880 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.131 -11.648 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.657 -12.836 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.563 -13.389 0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.258 -11.963 0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.555 -11.837 -0.790 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.041 -10.133 3.351 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.524 -9.848 4.684 1.00 0.00 C ATOM 1144 C ALA A 74 -7.962 -8.433 4.764 1.00 0.00 C ATOM 1145 O ALA A 74 -7.631 -7.946 5.846 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.457 -10.864 5.063 1.00 0.00 C ATOM 0 H ALA A 74 -8.363 -10.556 2.717 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.350 -9.923 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.079 -10.640 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.888 -11.865 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.638 -10.816 4.346 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.856 -7.777 3.614 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.333 -6.417 3.553 1.00 0.00 C ATOM 1154 C LEU A 75 -8.414 -5.437 3.110 1.00 0.00 C ATOM 1155 O LEU A 75 -8.280 -4.226 3.291 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.142 -6.349 2.595 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.913 -7.164 2.994 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.816 -7.021 1.950 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.407 -6.731 4.362 1.00 0.00 C ATOM 0 H LEU A 75 -8.126 -8.165 2.710 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.003 -6.136 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.472 -6.685 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.844 -5.306 2.492 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.200 -8.214 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.948 -7.608 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.181 -7.380 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.532 -5.972 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.531 -7.322 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.137 -5.675 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.190 -6.885 5.105 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.486 -5.969 2.531 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.591 -5.141 2.063 1.00 0.00 C ATOM 1173 C ARG A 76 -10.992 -4.118 3.123 1.00 0.00 C ATOM 1174 O ARG A 76 -11.016 -2.916 2.863 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.794 -6.015 1.702 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.801 -6.471 0.251 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.970 -7.401 -0.034 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.200 -6.664 -0.312 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.224 -7.173 -0.987 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.167 -8.414 -1.450 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.310 -6.440 -1.200 1.00 0.00 N ATOM 0 H ARG A 76 -9.612 -6.969 2.375 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.259 -4.606 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.803 -6.892 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.710 -5.460 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.858 -5.602 -0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.865 -6.981 0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.728 -8.037 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.127 -8.059 0.821 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.277 -5.706 0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.335 -8.981 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.955 -8.802 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.358 -5.485 -0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.096 -6.832 -1.719 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.306 -4.605 4.318 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.705 -3.736 5.418 1.00 0.00 C ATOM 1197 C LYS A 77 -10.771 -2.535 5.528 1.00 0.00 C ATOM 1198 O LYS A 77 -11.192 -1.444 5.912 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.709 -4.515 6.735 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.659 -3.947 7.775 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.101 -2.684 8.410 1.00 0.00 C ATOM 1202 CE LYS A 77 -12.665 -2.466 9.805 1.00 0.00 C ATOM 1203 NZ LYS A 77 -13.936 -1.690 9.774 1.00 0.00 N ATOM 0 H LYS A 77 -11.292 -5.598 4.550 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.713 -3.373 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.981 -5.551 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.699 -4.525 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.620 -3.727 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.842 -4.693 8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.014 -2.751 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.338 -1.825 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.840 -3.431 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.932 -1.938 10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.289 -1.562 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.764 -0.759 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.644 -2.206 9.213 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.504 -2.744 5.190 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.511 -1.678 5.251 1.00 0.00 C ATOM 1219 C ARG A 78 -8.719 -0.676 4.119 1.00 0.00 C ATOM 1220 O ARG A 78 -8.563 0.530 4.307 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.099 -2.262 5.177 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.055 -1.425 5.898 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.235 -1.490 7.407 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.920 -2.814 7.939 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.811 -3.792 8.048 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -8.065 -3.598 7.665 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.448 -4.970 8.542 1.00 0.00 N ATOM 0 H ARG A 78 -9.140 -3.642 4.871 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.632 -1.157 6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.107 -3.265 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.811 -2.364 4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.058 -1.778 5.634 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.125 -0.389 5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.594 -0.747 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.263 -1.232 7.661 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.964 -2.997 8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.348 -2.695 7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.747 -4.352 7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.484 -5.124 8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.133 -5.721 8.625 1.00 0.00 H new ATOM 1241 N ALA A 79 -9.070 -1.185 2.942 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.300 -0.335 1.781 1.00 0.00 C ATOM 1243 C ALA A 79 -10.404 0.681 2.053 1.00 0.00 C ATOM 1244 O ALA A 79 -10.209 1.883 1.882 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.650 -1.184 0.567 1.00 0.00 C ATOM 0 H ALA A 79 -9.201 -2.181 2.768 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.381 0.213 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.819 -0.536 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.828 -1.867 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.554 -1.758 0.773 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.563 0.189 2.479 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.698 1.055 2.774 1.00 0.00 C ATOM 1253 C GLU A 80 -12.303 2.152 3.759 1.00 0.00 C ATOM 1254 O GLU A 80 -12.891 3.234 3.768 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.858 0.237 3.343 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.640 -0.214 4.778 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.940 -0.406 5.533 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.707 0.573 5.651 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -15.191 -1.533 6.008 1.00 0.00 O ATOM 0 H GLU A 80 -11.740 -0.804 2.627 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.016 1.524 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.770 0.832 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.015 -0.640 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.082 -1.150 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.028 0.523 5.298 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.306 1.864 4.588 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.831 2.825 5.576 1.00 0.00 C ATOM 1268 C ILE A 81 -9.904 3.854 4.941 1.00 0.00 C ATOM 1269 O ILE A 81 -10.047 5.058 5.164 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.090 2.126 6.731 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.037 1.184 7.478 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.501 3.155 7.682 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.328 0.233 8.416 1.00 0.00 C ATOM 0 H ILE A 81 -10.811 0.972 4.595 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.712 3.330 5.973 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.274 1.536 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.752 1.778 8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.609 0.606 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.981 2.645 8.493 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.798 3.789 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.301 3.769 8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.061 -0.404 8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.633 -0.386 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.778 0.803 9.165 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.952 3.375 4.147 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.001 4.255 3.477 1.00 0.00 C ATOM 1287 C LEU A 82 -8.694 5.092 2.405 1.00 0.00 C ATOM 1288 O LEU A 82 -8.253 6.196 2.084 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.873 3.434 2.847 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.141 2.472 3.785 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.621 1.270 3.014 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -4.999 3.187 4.495 1.00 0.00 C ATOM 0 H LEU A 82 -8.818 2.383 3.952 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.580 4.929 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.288 2.858 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.143 4.122 2.422 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.846 2.119 4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.103 0.596 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.457 0.745 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.930 1.605 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.489 2.489 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.293 3.568 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.397 4.017 5.079 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.781 4.561 1.858 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.539 5.259 0.827 1.00 0.00 C ATOM 1306 C LYS A 83 -11.435 6.330 1.440 1.00 0.00 C ATOM 1307 O LYS A 83 -11.407 7.489 1.027 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.387 4.267 0.027 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.572 3.176 -0.648 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.366 1.888 -0.781 1.00 0.00 C ATOM 1311 CE LYS A 83 -12.395 1.980 -1.897 1.00 0.00 C ATOM 1312 NZ LYS A 83 -13.565 1.094 -1.647 1.00 0.00 N ATOM 0 H LYS A 83 -10.158 3.648 2.112 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.829 5.744 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.116 3.805 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.949 4.811 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.257 3.514 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.666 2.988 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.686 1.059 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.868 1.670 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.735 3.011 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.929 1.708 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.281 1.248 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.258 0.100 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.974 1.314 -0.717 1.00 0.00 H new ATOM 1326 N LYS A 84 -12.228 5.935 2.430 1.00 0.00 N ATOM 1327 CA LYS A 84 -13.132 6.861 3.104 1.00 0.00 C ATOM 1328 C LYS A 84 -12.350 7.957 3.823 1.00 0.00 C ATOM 1329 O LYS A 84 -12.786 9.106 3.879 1.00 0.00 O ATOM 1330 CB LYS A 84 -14.014 6.110 4.103 1.00 0.00 C ATOM 1331 CG LYS A 84 -15.374 6.750 4.315 1.00 0.00 C ATOM 1332 CD LYS A 84 -16.360 6.333 3.236 1.00 0.00 C ATOM 1333 CE LYS A 84 -17.731 6.952 3.464 1.00 0.00 C ATOM 1334 NZ LYS A 84 -18.447 6.313 4.603 1.00 0.00 N ATOM 0 H LYS A 84 -12.263 4.979 2.784 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.765 7.326 2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.154 5.087 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.496 6.052 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.762 6.467 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.271 7.835 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.981 6.635 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.448 5.247 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.620 8.019 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.329 6.853 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.402 6.716 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.516 5.288 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.923 6.488 5.484 1.00 0.00 H new ATOM 1348 N GLU A 85 -11.194 7.592 4.368 1.00 0.00 N ATOM 1349 CA GLU A 85 -10.353 8.546 5.082 1.00 0.00 C ATOM 1350 C GLU A 85 -9.555 9.404 4.106 1.00 0.00 C ATOM 1351 O GLU A 85 -9.372 10.602 4.323 1.00 0.00 O ATOM 1352 CB GLU A 85 -9.401 7.811 6.029 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.319 8.701 6.616 1.00 0.00 C ATOM 1354 CD GLU A 85 -8.739 9.345 7.924 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -9.954 9.564 8.112 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -7.853 9.628 8.757 1.00 0.00 O ATOM 0 H GLU A 85 -10.819 6.644 4.329 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.002 9.199 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.979 7.371 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.930 6.988 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.417 8.111 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.065 9.480 5.897 1.00 0.00 H new ATOM 1363 N ARG A 86 -9.081 8.783 3.031 1.00 0.00 N ATOM 1364 CA ARG A 86 -8.301 9.489 2.022 1.00 0.00 C ATOM 1365 C ARG A 86 -8.831 10.905 1.817 1.00 0.00 C ATOM 1366 O ARG A 86 -8.089 11.880 1.938 1.00 0.00 O ATOM 1367 CB ARG A 86 -8.331 8.725 0.697 1.00 0.00 C ATOM 1368 CG ARG A 86 -7.889 9.557 -0.495 1.00 0.00 C ATOM 1369 CD ARG A 86 -8.202 8.858 -1.810 1.00 0.00 C ATOM 1370 NE ARG A 86 -7.464 9.438 -2.928 1.00 0.00 N ATOM 1371 CZ ARG A 86 -7.583 9.021 -4.184 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -8.408 8.026 -4.479 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -6.878 9.600 -5.146 1.00 0.00 N ATOM 0 H ARG A 86 -9.224 7.792 2.836 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.271 9.553 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.687 7.850 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.343 8.361 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.388 10.526 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.818 9.748 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.957 7.799 -1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.272 8.923 -2.009 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.821 10.206 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.953 7.579 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.498 7.707 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.243 10.367 -4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.970 9.279 -6.110 1.00 0.00 H new ATOM 1387 N SER A 87 -10.119 11.010 1.506 1.00 0.00 N ATOM 1388 CA SER A 87 -10.748 12.306 1.281 1.00 0.00 C ATOM 1389 C SER A 87 -10.824 13.106 2.578 1.00 0.00 C ATOM 1390 O SER A 87 -11.187 12.575 3.626 1.00 0.00 O ATOM 1391 CB SER A 87 -12.150 12.122 0.699 1.00 0.00 C ATOM 1392 OG SER A 87 -12.096 11.520 -0.582 1.00 0.00 O ATOM 0 H SER A 87 -10.747 10.213 1.404 1.00 0.00 H new ATOM 0 HA SER A 87 -10.137 12.860 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.747 11.504 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.648 13.089 0.629 1.00 0.00 H new ATOM 0 HG SER A 87 -13.005 11.412 -0.931 1.00 0.00 H new ATOM 1398 N GLU A 88 -10.480 14.388 2.497 1.00 0.00 N ATOM 1399 CA GLU A 88 -10.507 15.261 3.664 1.00 0.00 C ATOM 1400 C GLU A 88 -11.596 16.322 3.523 1.00 0.00 C ATOM 1401 O GLU A 88 -12.416 16.507 4.422 1.00 0.00 O ATOM 1402 CB GLU A 88 -9.147 15.935 3.857 1.00 0.00 C ATOM 1403 CG GLU A 88 -8.007 14.953 4.068 1.00 0.00 C ATOM 1404 CD GLU A 88 -7.986 14.374 5.469 1.00 0.00 C ATOM 1405 OE1 GLU A 88 -9.047 13.900 5.930 1.00 0.00 O ATOM 1406 OE2 GLU A 88 -6.912 14.393 6.104 1.00 0.00 O ATOM 0 H GLU A 88 -10.180 14.844 1.636 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.728 14.649 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.929 16.551 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.201 16.606 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.093 14.142 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.059 15.455 3.872 1.00 0.00 H new ATOM 1413 N SER A 89 -11.597 17.014 2.389 1.00 0.00 N ATOM 1414 CA SER A 89 -12.582 18.059 2.132 1.00 0.00 C ATOM 1415 C SER A 89 -13.390 17.746 0.876 1.00 0.00 C ATOM 1416 O SER A 89 -13.621 18.619 0.040 1.00 0.00 O ATOM 1417 CB SER A 89 -11.890 19.415 1.983 1.00 0.00 C ATOM 1418 OG SER A 89 -12.764 20.474 2.334 1.00 0.00 O ATOM 0 H SER A 89 -10.927 16.871 1.633 1.00 0.00 H new ATOM 0 HA SER A 89 -13.264 18.099 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.003 19.446 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.552 19.544 0.955 1.00 0.00 H new ATOM 0 HG SER A 89 -12.298 21.330 2.232 1.00 0.00 H new ATOM 1424 N GLY A 90 -13.817 16.494 0.751 1.00 0.00 N ATOM 1425 CA GLY A 90 -14.594 16.086 -0.405 1.00 0.00 C ATOM 1426 C GLY A 90 -15.861 15.348 -0.021 1.00 0.00 C ATOM 1427 O GLY A 90 -16.328 15.422 1.115 1.00 0.00 O ATOM 0 H GLY A 90 -13.639 15.754 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.854 16.966 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.983 15.446 -1.042 1.00 0.00 H new ATOM 1431 N PRO A 91 -16.439 14.617 -0.985 1.00 0.00 N ATOM 1432 CA PRO A 91 -17.668 13.848 -0.766 1.00 0.00 C ATOM 1433 C PRO A 91 -17.447 12.648 0.148 1.00 0.00 C ATOM 1434 O PRO A 91 -17.035 11.579 -0.304 1.00 0.00 O ATOM 1435 CB PRO A 91 -18.052 13.385 -2.174 1.00 0.00 C ATOM 1436 CG PRO A 91 -16.769 13.365 -2.930 1.00 0.00 C ATOM 1437 CD PRO A 91 -15.937 14.482 -2.363 1.00 0.00 C ATOM 0 HA PRO A 91 -18.438 14.442 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -18.515 12.398 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -18.771 14.065 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.264 12.406 -2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.942 13.510 -3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.874 14.241 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -16.064 15.405 -2.929 1.00 0.00 H new ATOM 1445 N SER A 92 -17.722 12.831 1.435 1.00 0.00 N ATOM 1446 CA SER A 92 -17.549 11.764 2.414 1.00 0.00 C ATOM 1447 C SER A 92 -18.143 12.161 3.761 1.00 0.00 C ATOM 1448 O SER A 92 -18.169 13.339 4.118 1.00 0.00 O ATOM 1449 CB SER A 92 -16.066 11.428 2.576 1.00 0.00 C ATOM 1450 OG SER A 92 -15.868 10.490 3.620 1.00 0.00 O ATOM 0 H SER A 92 -18.066 13.709 1.825 1.00 0.00 H new ATOM 0 HA SER A 92 -18.076 10.882 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.677 11.024 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.505 12.338 2.789 1.00 0.00 H new ATOM 0 HG SER A 92 -14.912 10.290 3.703 1.00 0.00 H new ATOM 1456 N SER A 93 -18.621 11.169 4.506 1.00 0.00 N ATOM 1457 CA SER A 93 -19.219 11.414 5.813 1.00 0.00 C ATOM 1458 C SER A 93 -18.514 10.600 6.894 1.00 0.00 C ATOM 1459 O SER A 93 -17.827 9.622 6.602 1.00 0.00 O ATOM 1460 CB SER A 93 -20.709 11.067 5.788 1.00 0.00 C ATOM 1461 OG SER A 93 -20.907 9.664 5.780 1.00 0.00 O ATOM 0 H SER A 93 -18.606 10.188 4.227 1.00 0.00 H new ATOM 0 HA SER A 93 -19.103 12.472 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 93 -21.201 11.502 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 93 -21.173 11.508 4.906 1.00 0.00 H new ATOM 0 HG SER A 93 -21.867 9.469 5.766 1.00 0.00 H new ATOM 1467 N GLY A 94 -18.691 11.011 8.145 1.00 0.00 N ATOM 1468 CA GLY A 94 -18.067 10.310 9.252 1.00 0.00 C ATOM 1469 C GLY A 94 -17.218 11.225 10.113 1.00 0.00 C ATOM 1470 O GLY A 94 -16.432 10.760 10.938 1.00 0.00 O ATOM 0 H GLY A 94 -19.256 11.817 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.839 9.850 9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.446 9.503 8.863 1.00 0.00 H new TER 1474 GLY A 94