USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 462 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 62 ASN : amide:sc= 0.979 K(o=1,f=0.019) USER MOD Set 1.2: A 64 SER OG : rot 94:sc= 0.0644 USER MOD Set 2.1: A 6 SER OG : rot 163:sc= -0.901! USER MOD Set 2.2: A 48 MET CE :methyl 155:sc= -8.38! (180deg=-5.93!) USER MOD Set 2.3: A 51 LYS NZ :NH3+ -175:sc= -4.69! (180deg=-3.8!) USER MOD Set 3.1: A 32 TYR OH : rot -38:sc= -1.44! USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -0.0149 F(o=-4.7!,f=-1.5) USER MOD Set 4.1: A 25 GLN : amide:sc= -0.194 K(o=-3.8,f=-5.7) USER MOD Set 4.2: A 26 GLN :FLIP amide:sc= -3.57! C(o=-4.5!,f=-3.8!) USER MOD Set 5.1: A 11 ASN : amide:sc= -6.18! C(o=-6.1!,f=-6.5!) USER MOD Set 5.2: A 20 TYR OH : rot -77:sc= 0.0791 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc=-0.00831 (180deg=-0.691) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -67:sc= -0.114! USER MOD Single : A 30 SER OG : rot 40:sc= 0.00447 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -6.73! C(o=-6.7!,f=-19!) USER MOD Single : A 54 GLN :FLIP amide:sc= -8.99! C(o=-11!,f=-9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.983 -1.173 -0.017 1.00 0.00 N ATOM 2 CA MET A 1 4.734 -1.530 -0.748 1.00 0.00 C ATOM 3 C MET A 1 4.724 -3.029 -1.031 1.00 0.00 C ATOM 4 O MET A 1 5.749 -3.699 -0.915 1.00 0.00 O ATOM 5 CB MET A 1 4.679 -0.751 -2.064 1.00 0.00 C ATOM 6 CG MET A 1 5.877 -1.130 -2.938 1.00 0.00 C ATOM 7 SD MET A 1 5.834 -0.173 -4.473 1.00 0.00 S ATOM 8 CE MET A 1 7.320 -0.881 -5.224 1.00 0.00 C ATOM 0 H1 MET A 1 6.396 -0.314 -0.434 1.00 0.00 H new ATOM 0 H2 MET A 1 5.762 -1.000 0.984 1.00 0.00 H new ATOM 0 H3 MET A 1 6.664 -1.955 -0.091 1.00 0.00 H new ATOM 0 HA MET A 1 3.865 -1.274 -0.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.749 -0.971 -2.589 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.687 0.320 -1.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.807 -0.936 -2.403 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.854 -2.197 -3.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.487 -0.425 -6.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.179 -0.689 -4.581 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.190 -1.957 -5.344 1.00 0.00 H new ATOM 16 N THR A 2 3.556 -3.548 -1.397 1.00 0.00 N ATOM 17 CA THR A 2 3.419 -4.969 -1.693 1.00 0.00 C ATOM 18 C THR A 2 3.066 -5.177 -3.161 1.00 0.00 C ATOM 19 O THR A 2 2.158 -4.531 -3.687 1.00 0.00 O ATOM 20 CB THR A 2 2.329 -5.583 -0.810 1.00 0.00 C ATOM 21 OG1 THR A 2 2.682 -5.424 0.557 1.00 0.00 O ATOM 22 CG2 THR A 2 2.187 -7.071 -1.133 1.00 0.00 C ATOM 0 H THR A 2 2.696 -3.009 -1.495 1.00 0.00 H new ATOM 0 HA THR A 2 4.371 -5.459 -1.487 1.00 0.00 H new ATOM 0 HB THR A 2 1.381 -5.080 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.984 -5.815 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.411 -7.507 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.915 -7.191 -2.182 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.134 -7.576 -0.944 1.00 0.00 H new ATOM 30 N THR A 3 3.793 -6.071 -3.822 1.00 0.00 N ATOM 31 CA THR A 3 3.551 -6.340 -5.235 1.00 0.00 C ATOM 32 C THR A 3 3.348 -7.829 -5.473 1.00 0.00 C ATOM 33 O THR A 3 3.951 -8.666 -4.802 1.00 0.00 O ATOM 34 CB THR A 3 4.741 -5.853 -6.064 1.00 0.00 C ATOM 35 OG1 THR A 3 4.405 -5.893 -7.445 1.00 0.00 O ATOM 36 CG2 THR A 3 5.945 -6.759 -5.807 1.00 0.00 C ATOM 0 H THR A 3 4.548 -6.617 -3.407 1.00 0.00 H new ATOM 0 HA THR A 3 2.648 -5.810 -5.536 1.00 0.00 H new ATOM 0 HB THR A 3 4.988 -4.830 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.167 -5.579 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.793 -6.413 -6.397 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.203 -6.729 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.698 -7.782 -6.092 1.00 0.00 H new ATOM 44 N PHE A 4 2.484 -8.150 -6.431 1.00 0.00 N ATOM 45 CA PHE A 4 2.193 -9.539 -6.752 1.00 0.00 C ATOM 46 C PHE A 4 2.608 -9.850 -8.184 1.00 0.00 C ATOM 47 O PHE A 4 2.386 -9.051 -9.093 1.00 0.00 O ATOM 48 CB PHE A 4 0.693 -9.796 -6.595 1.00 0.00 C ATOM 49 CG PHE A 4 0.278 -9.549 -5.164 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.196 -8.288 -4.781 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.364 -10.579 -4.221 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.583 -8.059 -3.455 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.023 -10.350 -2.896 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.496 -9.090 -2.512 1.00 0.00 C ATOM 0 H PHE A 4 1.976 -7.469 -6.995 1.00 0.00 H new ATOM 0 HA PHE A 4 2.753 -10.181 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.131 -9.144 -7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.459 -10.822 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.263 -7.492 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.729 -11.552 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.949 -7.087 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.043 -11.146 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.794 -8.913 -1.489 1.00 0.00 H new ATOM 64 N THR A 5 3.215 -11.015 -8.377 1.00 0.00 N ATOM 65 CA THR A 5 3.656 -11.416 -9.704 1.00 0.00 C ATOM 66 C THR A 5 3.158 -12.819 -10.036 1.00 0.00 C ATOM 67 O THR A 5 2.920 -13.630 -9.141 1.00 0.00 O ATOM 68 CB THR A 5 5.182 -11.383 -9.770 1.00 0.00 C ATOM 69 OG1 THR A 5 5.714 -12.304 -8.827 1.00 0.00 O ATOM 70 CG2 THR A 5 5.678 -9.973 -9.446 1.00 0.00 C ATOM 0 H THR A 5 3.411 -11.691 -7.639 1.00 0.00 H new ATOM 0 HA THR A 5 3.243 -10.719 -10.433 1.00 0.00 H new ATOM 0 HB THR A 5 5.510 -11.658 -10.772 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.693 -12.286 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.767 -9.950 -9.493 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.269 -9.268 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.353 -9.694 -8.444 1.00 0.00 H new ATOM 78 N SER A 6 3.003 -13.098 -11.325 1.00 0.00 N ATOM 79 CA SER A 6 2.533 -14.407 -11.760 1.00 0.00 C ATOM 80 C SER A 6 3.323 -14.897 -12.970 1.00 0.00 C ATOM 81 O SER A 6 3.770 -14.102 -13.794 1.00 0.00 O ATOM 82 CB SER A 6 1.048 -14.334 -12.115 1.00 0.00 C ATOM 83 OG SER A 6 0.311 -13.944 -10.965 1.00 0.00 O ATOM 0 H SER A 6 3.194 -12.441 -12.081 1.00 0.00 H new ATOM 0 HA SER A 6 2.681 -15.111 -10.941 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.890 -13.619 -12.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.700 -15.303 -12.474 1.00 0.00 H new ATOM 0 HG SER A 6 -0.577 -13.630 -11.236 1.00 0.00 H new ATOM 89 N ILE A 7 3.470 -16.214 -13.079 1.00 0.00 N ATOM 90 CA ILE A 7 4.179 -16.824 -14.198 1.00 0.00 C ATOM 91 C ILE A 7 3.417 -18.073 -14.630 1.00 0.00 C ATOM 92 O ILE A 7 2.871 -18.782 -13.785 1.00 0.00 O ATOM 93 CB ILE A 7 5.604 -17.199 -13.787 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.361 -15.934 -13.372 1.00 0.00 C ATOM 95 CG2 ILE A 7 6.319 -17.853 -14.970 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.694 -16.324 -12.732 1.00 0.00 C ATOM 0 H ILE A 7 3.105 -16.883 -12.401 1.00 0.00 H new ATOM 0 HA ILE A 7 4.238 -16.115 -15.024 1.00 0.00 H new ATOM 0 HB ILE A 7 5.571 -17.897 -12.950 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.535 -15.300 -14.241 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.764 -15.354 -12.668 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.335 -18.121 -14.678 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.779 -18.751 -15.270 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.354 -17.154 -15.806 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.233 -15.424 -12.437 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.509 -16.941 -11.853 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.292 -16.886 -13.450 1.00 0.00 H new ATOM 108 N VAL A 8 3.359 -18.352 -15.929 1.00 0.00 N ATOM 109 CA VAL A 8 2.636 -19.530 -16.386 1.00 0.00 C ATOM 110 C VAL A 8 3.529 -20.767 -16.353 1.00 0.00 C ATOM 111 O VAL A 8 4.390 -20.958 -17.212 1.00 0.00 O ATOM 112 CB VAL A 8 2.125 -19.306 -17.810 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.397 -20.562 -18.294 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.156 -18.121 -17.823 1.00 0.00 C ATOM 0 H VAL A 8 3.792 -17.794 -16.665 1.00 0.00 H new ATOM 0 HA VAL A 8 1.793 -19.694 -15.715 1.00 0.00 H new ATOM 0 HB VAL A 8 2.967 -19.096 -18.469 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.033 -20.403 -19.309 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.085 -21.408 -18.284 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.555 -20.771 -17.635 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.791 -17.960 -18.838 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.314 -18.332 -17.164 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.672 -17.225 -17.477 1.00 0.00 H new ATOM 124 N THR A 9 3.287 -21.610 -15.359 1.00 0.00 N ATOM 125 CA THR A 9 4.029 -22.855 -15.190 1.00 0.00 C ATOM 126 C THR A 9 3.150 -23.854 -14.460 1.00 0.00 C ATOM 127 O THR A 9 2.339 -23.456 -13.623 1.00 0.00 O ATOM 128 CB THR A 9 5.299 -22.611 -14.376 1.00 0.00 C ATOM 129 OG1 THR A 9 6.432 -22.683 -15.233 1.00 0.00 O ATOM 130 CG2 THR A 9 5.408 -23.673 -13.279 1.00 0.00 C ATOM 0 H THR A 9 2.573 -21.452 -14.648 1.00 0.00 H new ATOM 0 HA THR A 9 4.309 -23.242 -16.170 1.00 0.00 H new ATOM 0 HB THR A 9 5.259 -21.623 -13.918 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.247 -22.525 -14.712 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.313 -23.502 -12.696 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.538 -23.611 -12.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.451 -24.663 -13.734 1.00 0.00 H new ATOM 138 N THR A 10 3.297 -25.145 -14.737 1.00 0.00 N ATOM 139 CA THR A 10 2.467 -26.099 -14.024 1.00 0.00 C ATOM 140 C THR A 10 3.296 -27.155 -13.300 1.00 0.00 C ATOM 141 O THR A 10 3.650 -28.187 -13.867 1.00 0.00 O ATOM 142 CB THR A 10 1.529 -26.789 -15.013 1.00 0.00 C ATOM 143 OG1 THR A 10 1.387 -28.156 -14.657 1.00 0.00 O ATOM 144 CG2 THR A 10 2.115 -26.684 -16.422 1.00 0.00 C ATOM 0 H THR A 10 3.949 -25.538 -15.415 1.00 0.00 H new ATOM 0 HA THR A 10 1.900 -25.548 -13.273 1.00 0.00 H new ATOM 0 HB THR A 10 0.552 -26.307 -14.988 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.239 -28.620 -14.794 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.448 -27.175 -17.131 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.223 -25.634 -16.694 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.091 -27.168 -16.447 1.00 0.00 H new ATOM 152 N ASN A 11 3.597 -26.871 -12.036 1.00 0.00 N ATOM 153 CA ASN A 11 4.384 -27.784 -11.214 1.00 0.00 C ATOM 154 C ASN A 11 3.844 -27.815 -9.799 1.00 0.00 C ATOM 155 O ASN A 11 4.553 -27.509 -8.840 1.00 0.00 O ATOM 156 CB ASN A 11 5.848 -27.344 -11.199 1.00 0.00 C ATOM 157 CG ASN A 11 5.950 -25.904 -10.711 1.00 0.00 C ATOM 158 OD1 ASN A 11 5.233 -25.506 -9.793 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.795 -25.093 -11.280 1.00 0.00 N ATOM 0 H ASN A 11 3.308 -26.017 -11.559 1.00 0.00 H new ATOM 0 HA ASN A 11 4.315 -28.785 -11.640 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.428 -28.000 -10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.273 -27.430 -12.199 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.864 -24.125 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.388 -25.425 -12.040 1.00 0.00 H new ATOM 166 N PRO A 12 2.607 -28.184 -9.657 1.00 0.00 N ATOM 167 CA PRO A 12 1.950 -28.269 -8.328 1.00 0.00 C ATOM 168 C PRO A 12 2.782 -29.082 -7.346 1.00 0.00 C ATOM 169 O PRO A 12 3.034 -30.269 -7.556 1.00 0.00 O ATOM 170 CB PRO A 12 0.621 -28.965 -8.632 1.00 0.00 C ATOM 171 CG PRO A 12 0.339 -28.652 -10.063 1.00 0.00 C ATOM 172 CD PRO A 12 1.699 -28.551 -10.751 1.00 0.00 C ATOM 0 HA PRO A 12 1.824 -27.294 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.693 -30.041 -8.470 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.174 -28.597 -7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.272 -29.431 -10.519 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.215 -27.718 -10.156 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.987 -29.496 -11.213 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.695 -27.799 -11.540 1.00 0.00 H new ATOM 180 N ASP A 13 3.197 -28.429 -6.273 1.00 0.00 N ATOM 181 CA ASP A 13 3.998 -29.081 -5.245 1.00 0.00 C ATOM 182 C ASP A 13 3.348 -28.912 -3.875 1.00 0.00 C ATOM 183 O ASP A 13 2.896 -27.822 -3.525 1.00 0.00 O ATOM 184 CB ASP A 13 5.406 -28.485 -5.222 1.00 0.00 C ATOM 185 CG ASP A 13 6.176 -28.917 -6.465 1.00 0.00 C ATOM 186 OD1 ASP A 13 7.214 -28.336 -6.727 1.00 0.00 O ATOM 187 OD2 ASP A 13 5.715 -29.825 -7.137 1.00 0.00 O ATOM 0 H ASP A 13 2.993 -27.447 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 13 4.060 -30.144 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.349 -27.397 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.933 -28.812 -4.326 1.00 0.00 H new ATOM 192 N PHE A 14 3.310 -29.992 -3.101 1.00 0.00 N ATOM 193 CA PHE A 14 2.719 -29.937 -1.770 1.00 0.00 C ATOM 194 C PHE A 14 3.810 -29.813 -0.711 1.00 0.00 C ATOM 195 O PHE A 14 3.527 -29.570 0.463 1.00 0.00 O ATOM 196 CB PHE A 14 1.896 -31.202 -1.512 1.00 0.00 C ATOM 197 CG PHE A 14 0.764 -31.279 -2.508 1.00 0.00 C ATOM 198 CD1 PHE A 14 0.931 -31.990 -3.702 1.00 0.00 C ATOM 199 CD2 PHE A 14 -0.452 -30.642 -2.237 1.00 0.00 C ATOM 200 CE1 PHE A 14 -0.119 -32.064 -4.626 1.00 0.00 C ATOM 201 CE2 PHE A 14 -1.501 -30.714 -3.161 1.00 0.00 C ATOM 202 CZ PHE A 14 -1.335 -31.425 -4.356 1.00 0.00 C ATOM 0 H PHE A 14 3.677 -30.905 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 14 2.069 -29.064 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.530 -32.085 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.501 -31.190 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.870 -32.482 -3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.581 -30.095 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.009 -32.614 -5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.439 -30.221 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.144 -31.480 -5.069 1.00 0.00 H new ATOM 212 N GLY A 15 5.057 -29.995 -1.135 1.00 0.00 N ATOM 213 CA GLY A 15 6.190 -29.916 -0.221 1.00 0.00 C ATOM 214 C GLY A 15 6.294 -28.539 0.428 1.00 0.00 C ATOM 215 O GLY A 15 6.608 -28.428 1.612 1.00 0.00 O ATOM 0 H GLY A 15 5.307 -30.198 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.087 -30.677 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.111 -30.134 -0.762 1.00 0.00 H new ATOM 219 N GLY A 16 6.032 -27.492 -0.349 1.00 0.00 N ATOM 220 CA GLY A 16 6.106 -26.135 0.176 1.00 0.00 C ATOM 221 C GLY A 16 4.759 -25.434 0.060 1.00 0.00 C ATOM 222 O GLY A 16 3.750 -26.059 -0.261 1.00 0.00 O ATOM 0 H GLY A 16 5.770 -27.556 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.418 -26.161 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.863 -25.571 -0.369 1.00 0.00 H new ATOM 226 N PHE A 17 4.752 -24.132 0.322 1.00 0.00 N ATOM 227 CA PHE A 17 3.521 -23.360 0.240 1.00 0.00 C ATOM 228 C PHE A 17 3.418 -22.673 -1.116 1.00 0.00 C ATOM 229 O PHE A 17 4.223 -21.806 -1.450 1.00 0.00 O ATOM 230 CB PHE A 17 3.484 -22.311 1.355 1.00 0.00 C ATOM 231 CG PHE A 17 4.650 -21.365 1.200 1.00 0.00 C ATOM 232 CD1 PHE A 17 4.505 -20.190 0.452 1.00 0.00 C ATOM 233 CD2 PHE A 17 5.879 -21.665 1.800 1.00 0.00 C ATOM 234 CE1 PHE A 17 5.587 -19.314 0.307 1.00 0.00 C ATOM 235 CE2 PHE A 17 6.961 -20.789 1.655 1.00 0.00 C ATOM 236 CZ PHE A 17 6.815 -19.614 0.909 1.00 0.00 C ATOM 0 H PHE A 17 5.576 -23.595 0.590 1.00 0.00 H new ATOM 0 HA PHE A 17 2.676 -24.038 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.546 -21.757 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.526 -22.799 2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.558 -19.960 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.992 -22.572 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.475 -18.407 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.909 -21.020 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.650 -18.938 0.798 1.00 0.00 H new ATOM 246 N GLU A 18 2.411 -23.060 -1.888 1.00 0.00 N ATOM 247 CA GLU A 18 2.192 -22.468 -3.203 1.00 0.00 C ATOM 248 C GLU A 18 0.727 -22.589 -3.602 1.00 0.00 C ATOM 249 O GLU A 18 0.094 -23.616 -3.355 1.00 0.00 O ATOM 250 CB GLU A 18 3.070 -23.159 -4.246 1.00 0.00 C ATOM 251 CG GLU A 18 4.543 -22.899 -3.931 1.00 0.00 C ATOM 252 CD GLU A 18 5.064 -23.957 -2.964 1.00 0.00 C ATOM 253 OE1 GLU A 18 6.265 -23.996 -2.749 1.00 0.00 O ATOM 254 OE2 GLU A 18 4.256 -24.714 -2.454 1.00 0.00 O ATOM 0 H GLU A 18 1.735 -23.778 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 18 2.459 -21.412 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.872 -24.231 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.830 -22.787 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.128 -22.915 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.661 -21.907 -3.495 1.00 0.00 H new ATOM 261 N PHE A 19 0.189 -21.546 -4.222 1.00 0.00 N ATOM 262 CA PHE A 19 -1.205 -21.566 -4.645 1.00 0.00 C ATOM 263 C PHE A 19 -1.290 -21.533 -6.168 1.00 0.00 C ATOM 264 O PHE A 19 -0.708 -20.660 -6.811 1.00 0.00 O ATOM 265 CB PHE A 19 -1.948 -20.361 -4.068 1.00 0.00 C ATOM 266 CG PHE A 19 -3.414 -20.467 -4.409 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.270 -21.198 -3.577 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.919 -19.843 -5.558 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.630 -21.306 -3.891 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.280 -19.950 -5.870 1.00 0.00 C ATOM 271 CZ PHE A 19 -6.135 -20.681 -5.037 1.00 0.00 C ATOM 0 H PHE A 19 0.690 -20.685 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.667 -22.482 -4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.817 -20.322 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.535 -19.437 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.881 -21.679 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.259 -19.280 -6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.289 -21.871 -3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.670 -19.468 -6.754 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.184 -20.763 -5.279 1.00 0.00 H new ATOM 281 N TYR A 20 -2.017 -22.488 -6.741 1.00 0.00 N ATOM 282 CA TYR A 20 -2.163 -22.545 -8.191 1.00 0.00 C ATOM 283 C TYR A 20 -3.636 -22.596 -8.579 1.00 0.00 C ATOM 284 O TYR A 20 -4.429 -23.291 -7.945 1.00 0.00 O ATOM 285 CB TYR A 20 -1.463 -23.790 -8.740 1.00 0.00 C ATOM 286 CG TYR A 20 0.006 -23.748 -8.394 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.877 -22.928 -9.123 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.499 -24.535 -7.347 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.239 -22.897 -8.805 1.00 0.00 C ATOM 290 CE2 TYR A 20 1.861 -24.503 -7.028 1.00 0.00 C ATOM 291 CZ TYR A 20 2.732 -23.685 -7.756 1.00 0.00 C ATOM 292 OH TYR A 20 4.074 -23.654 -7.443 1.00 0.00 O ATOM 0 H TYR A 20 -2.508 -23.223 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.709 -21.648 -8.614 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.918 -24.688 -8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.590 -23.842 -9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.497 -22.320 -9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.172 -25.167 -6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.911 -22.266 -9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.240 -25.110 -6.219 1.00 0.00 H new ATOM 0 HH TYR A 20 4.576 -24.179 -8.101 1.00 0.00 H new ATOM 302 N VAL A 21 -3.997 -21.860 -9.626 1.00 0.00 N ATOM 303 CA VAL A 21 -5.380 -21.839 -10.085 1.00 0.00 C ATOM 304 C VAL A 21 -5.561 -22.790 -11.263 1.00 0.00 C ATOM 305 O VAL A 21 -4.933 -22.627 -12.309 1.00 0.00 O ATOM 306 CB VAL A 21 -5.773 -20.423 -10.516 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.208 -20.433 -11.043 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.682 -19.474 -9.320 1.00 0.00 C ATOM 0 H VAL A 21 -3.358 -21.277 -10.167 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.019 -22.158 -9.262 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.095 -20.084 -11.299 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.490 -19.426 -11.350 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.277 -21.106 -11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.882 -20.774 -10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.963 -18.468 -9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.358 -19.812 -8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.660 -19.464 -8.940 1.00 0.00 H new ATOM 318 N GLU A 22 -6.435 -23.777 -11.091 1.00 0.00 N ATOM 319 CA GLU A 22 -6.702 -24.738 -12.151 1.00 0.00 C ATOM 320 C GLU A 22 -7.395 -24.041 -13.315 1.00 0.00 C ATOM 321 O GLU A 22 -8.262 -23.193 -13.109 1.00 0.00 O ATOM 322 CB GLU A 22 -7.587 -25.871 -11.627 1.00 0.00 C ATOM 323 CG GLU A 22 -7.793 -26.911 -12.730 1.00 0.00 C ATOM 324 CD GLU A 22 -8.633 -28.070 -12.204 1.00 0.00 C ATOM 325 OE1 GLU A 22 -9.014 -28.021 -11.045 1.00 0.00 O ATOM 326 OE2 GLU A 22 -8.884 -28.988 -12.966 1.00 0.00 O ATOM 0 H GLU A 22 -6.966 -23.930 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.756 -25.158 -12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.124 -26.336 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.549 -25.475 -11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.287 -26.452 -13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.828 -27.279 -13.079 1.00 0.00 H new ATOM 333 N ALA A 23 -7.008 -24.387 -14.537 1.00 0.00 N ATOM 334 CA ALA A 23 -7.614 -23.758 -15.701 1.00 0.00 C ATOM 335 C ALA A 23 -9.129 -23.753 -15.552 1.00 0.00 C ATOM 336 O ALA A 23 -9.744 -24.791 -15.307 1.00 0.00 O ATOM 337 CB ALA A 23 -7.224 -24.517 -16.971 1.00 0.00 C ATOM 0 H ALA A 23 -6.293 -25.084 -14.744 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.255 -22.732 -15.776 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.683 -24.038 -17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.140 -24.506 -17.083 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.571 -25.548 -16.900 1.00 0.00 H new ATOM 343 N GLY A 24 -9.725 -22.574 -15.692 1.00 0.00 N ATOM 344 CA GLY A 24 -11.170 -22.442 -15.560 1.00 0.00 C ATOM 345 C GLY A 24 -11.588 -22.510 -14.093 1.00 0.00 C ATOM 346 O GLY A 24 -12.767 -22.688 -13.783 1.00 0.00 O ATOM 0 H GLY A 24 -9.234 -21.703 -15.895 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.494 -21.495 -15.992 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.665 -23.235 -16.121 1.00 0.00 H new ATOM 350 N GLN A 25 -10.616 -22.375 -13.193 1.00 0.00 N ATOM 351 CA GLN A 25 -10.898 -22.431 -11.762 1.00 0.00 C ATOM 352 C GLN A 25 -10.761 -21.050 -11.131 1.00 0.00 C ATOM 353 O GLN A 25 -9.798 -20.329 -11.395 1.00 0.00 O ATOM 354 CB GLN A 25 -9.942 -23.405 -11.074 1.00 0.00 C ATOM 355 CG GLN A 25 -10.286 -23.494 -9.586 1.00 0.00 C ATOM 356 CD GLN A 25 -11.713 -24.003 -9.411 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.595 -23.251 -8.998 1.00 0.00 O ATOM 358 NE2 GLN A 25 -11.993 -25.244 -9.701 1.00 0.00 N ATOM 0 H GLN A 25 -9.634 -22.227 -13.427 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.923 -22.777 -11.631 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.016 -24.390 -11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.912 -23.071 -11.201 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.588 -24.163 -9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.181 -22.514 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.260 -25.866 -10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.945 -25.593 -9.586 1.00 0.00 H new ATOM 367 N GLN A 26 -11.735 -20.686 -10.305 1.00 0.00 N ATOM 368 CA GLN A 26 -11.722 -19.385 -9.647 1.00 0.00 C ATOM 369 C GLN A 26 -10.586 -19.296 -8.631 1.00 0.00 C ATOM 370 O GLN A 26 -10.160 -20.302 -8.062 1.00 0.00 O ATOM 371 CB GLN A 26 -13.057 -19.140 -8.942 1.00 0.00 C ATOM 372 CG GLN A 26 -14.194 -19.181 -9.965 1.00 0.00 C ATOM 373 CD GLN A 26 -14.461 -20.620 -10.393 1.00 0.00 C ATOM 374 OE1 GLN A 26 -14.733 -21.521 -9.488 1.00 0.00 O flip ATOM 375 NE2 GLN A 26 -14.418 -20.932 -11.582 1.00 0.00 N flip ATOM 0 H GLN A 26 -12.539 -21.270 -10.076 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.566 -18.623 -10.411 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.218 -19.896 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.042 -18.173 -8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.097 -18.748 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -13.934 -18.577 -10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.205 -20.226 -12.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.595 -21.896 -11.863 1.00 0.00 H new ATOM 384 N PHE A 27 -10.110 -18.077 -8.411 1.00 0.00 N ATOM 385 CA PHE A 27 -9.026 -17.842 -7.462 1.00 0.00 C ATOM 386 C PHE A 27 -9.583 -17.421 -6.107 1.00 0.00 C ATOM 387 O PHE A 27 -10.313 -16.436 -6.006 1.00 0.00 O ATOM 388 CB PHE A 27 -8.094 -16.748 -7.988 1.00 0.00 C ATOM 389 CG PHE A 27 -7.015 -16.469 -6.967 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.886 -17.291 -6.897 1.00 0.00 C ATOM 391 CD2 PHE A 27 -7.148 -15.388 -6.088 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.888 -17.034 -5.948 1.00 0.00 C ATOM 393 CE2 PHE A 27 -6.153 -15.130 -5.140 1.00 0.00 C ATOM 394 CZ PHE A 27 -5.022 -15.953 -5.070 1.00 0.00 C ATOM 0 H PHE A 27 -10.456 -17.237 -8.875 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.468 -18.771 -7.345 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.645 -17.061 -8.931 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.661 -15.839 -8.191 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.783 -18.125 -7.575 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.020 -14.753 -6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.016 -17.669 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.257 -14.296 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.253 -15.753 -4.338 1.00 0.00 H new ATOM 404 N ASP A 28 -9.228 -18.168 -5.067 1.00 0.00 N ATOM 405 CA ASP A 28 -9.697 -17.852 -3.724 1.00 0.00 C ATOM 406 C ASP A 28 -8.769 -16.833 -3.078 1.00 0.00 C ATOM 407 O ASP A 28 -7.700 -17.180 -2.577 1.00 0.00 O ATOM 408 CB ASP A 28 -9.741 -19.123 -2.872 1.00 0.00 C ATOM 409 CG ASP A 28 -10.274 -18.799 -1.480 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.485 -19.728 -0.718 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.463 -17.627 -1.197 1.00 0.00 O ATOM 0 H ASP A 28 -8.624 -18.988 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.701 -17.432 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.376 -19.869 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.743 -19.555 -2.797 1.00 0.00 H new ATOM 416 N ASP A 29 -9.183 -15.572 -3.104 1.00 0.00 N ATOM 417 CA ASP A 29 -8.379 -14.501 -2.528 1.00 0.00 C ATOM 418 C ASP A 29 -8.310 -14.621 -1.011 1.00 0.00 C ATOM 419 O ASP A 29 -7.352 -14.163 -0.389 1.00 0.00 O ATOM 420 CB ASP A 29 -8.977 -13.144 -2.904 1.00 0.00 C ATOM 421 CG ASP A 29 -10.397 -13.032 -2.358 1.00 0.00 C ATOM 422 OD1 ASP A 29 -11.025 -12.015 -2.603 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.835 -13.964 -1.703 1.00 0.00 O ATOM 0 H ASP A 29 -10.065 -15.267 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.368 -14.584 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.359 -12.341 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.985 -13.028 -3.988 1.00 0.00 H new ATOM 428 N SER A 30 -9.325 -15.239 -0.416 1.00 0.00 N ATOM 429 CA SER A 30 -9.350 -15.401 1.032 1.00 0.00 C ATOM 430 C SER A 30 -8.200 -16.289 1.498 1.00 0.00 C ATOM 431 O SER A 30 -7.520 -15.976 2.475 1.00 0.00 O ATOM 432 CB SER A 30 -10.680 -16.020 1.462 1.00 0.00 C ATOM 433 OG SER A 30 -11.736 -15.113 1.175 1.00 0.00 O ATOM 0 H SER A 30 -10.130 -15.630 -0.906 1.00 0.00 H new ATOM 0 HA SER A 30 -9.239 -14.418 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.842 -16.962 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.660 -16.248 2.528 1.00 0.00 H new ATOM 0 HG SER A 30 -11.575 -14.688 0.307 1.00 0.00 H new ATOM 439 N ALA A 31 -7.990 -17.401 0.799 1.00 0.00 N ATOM 440 CA ALA A 31 -6.921 -18.325 1.158 1.00 0.00 C ATOM 441 C ALA A 31 -5.551 -17.675 0.990 1.00 0.00 C ATOM 442 O ALA A 31 -4.674 -17.825 1.840 1.00 0.00 O ATOM 443 CB ALA A 31 -7.000 -19.578 0.285 1.00 0.00 C ATOM 0 H ALA A 31 -8.541 -17.682 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.049 -18.597 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.198 -20.264 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.963 -20.067 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.896 -19.298 -0.763 1.00 0.00 H new ATOM 449 N TYR A 32 -5.374 -16.956 -0.115 1.00 0.00 N ATOM 450 CA TYR A 32 -4.103 -16.294 -0.381 1.00 0.00 C ATOM 451 C TYR A 32 -3.802 -15.265 0.702 1.00 0.00 C ATOM 452 O TYR A 32 -2.703 -15.232 1.255 1.00 0.00 O ATOM 453 CB TYR A 32 -4.144 -15.595 -1.739 1.00 0.00 C ATOM 454 CG TYR A 32 -2.794 -14.979 -2.024 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.506 -13.685 -1.578 1.00 0.00 C ATOM 456 CD2 TYR A 32 -1.834 -15.702 -2.741 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.257 -13.112 -1.848 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.584 -15.130 -3.011 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.295 -13.836 -2.564 1.00 0.00 C ATOM 460 OH TYR A 32 0.936 -13.272 -2.830 1.00 0.00 O ATOM 0 H TYR A 32 -6.086 -16.818 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.320 -17.052 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.403 -16.309 -2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.916 -14.825 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.247 -13.127 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.057 -16.701 -3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.036 -12.112 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.157 -15.688 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 32 0.822 -12.320 -3.035 1.00 0.00 H new ATOM 470 N GLU A 33 -4.791 -14.429 1.001 1.00 0.00 N ATOM 471 CA GLU A 33 -4.621 -13.404 2.021 1.00 0.00 C ATOM 472 C GLU A 33 -4.484 -14.045 3.396 1.00 0.00 C ATOM 473 O GLU A 33 -3.719 -13.576 4.236 1.00 0.00 O ATOM 474 CB GLU A 33 -5.818 -12.451 2.013 1.00 0.00 C ATOM 475 CG GLU A 33 -7.074 -13.204 2.458 1.00 0.00 C ATOM 476 CD GLU A 33 -8.288 -12.284 2.380 1.00 0.00 C ATOM 477 OE1 GLU A 33 -8.116 -11.141 1.990 1.00 0.00 O ATOM 478 OE2 GLU A 33 -9.371 -12.737 2.712 1.00 0.00 O ATOM 0 H GLU A 33 -5.709 -14.441 0.556 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.714 -12.841 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.631 -11.609 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.962 -12.040 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.228 -14.078 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.948 -13.568 3.478 1.00 0.00 H new ATOM 485 N GLU A 34 -5.244 -15.108 3.620 1.00 0.00 N ATOM 486 CA GLU A 34 -5.205 -15.794 4.905 1.00 0.00 C ATOM 487 C GLU A 34 -3.807 -16.338 5.192 1.00 0.00 C ATOM 488 O GLU A 34 -3.270 -16.139 6.282 1.00 0.00 O ATOM 489 CB GLU A 34 -6.214 -16.944 4.913 1.00 0.00 C ATOM 490 CG GLU A 34 -6.187 -17.638 6.275 1.00 0.00 C ATOM 491 CD GLU A 34 -7.219 -18.760 6.310 1.00 0.00 C ATOM 492 OE1 GLU A 34 -7.894 -18.949 5.311 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.320 -19.414 7.335 1.00 0.00 O ATOM 0 H GLU A 34 -5.888 -15.511 2.939 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.464 -15.075 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.215 -16.565 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.974 -17.658 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.193 -18.041 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.396 -16.916 7.064 1.00 0.00 H new ATOM 500 N ALA A 35 -3.221 -17.024 4.214 1.00 0.00 N ATOM 501 CA ALA A 35 -1.883 -17.585 4.394 1.00 0.00 C ATOM 502 C ALA A 35 -0.847 -16.479 4.588 1.00 0.00 C ATOM 503 O ALA A 35 -0.006 -16.554 5.486 1.00 0.00 O ATOM 504 CB ALA A 35 -1.506 -18.430 3.177 1.00 0.00 C ATOM 0 H ALA A 35 -3.642 -17.203 3.303 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.894 -18.210 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.508 -18.845 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.224 -19.242 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.517 -17.806 2.283 1.00 0.00 H new ATOM 510 N TYR A 36 -0.902 -15.467 3.728 1.00 0.00 N ATOM 511 CA TYR A 36 0.051 -14.362 3.801 1.00 0.00 C ATOM 512 C TYR A 36 -0.373 -13.339 4.850 1.00 0.00 C ATOM 513 O TYR A 36 0.429 -12.513 5.283 1.00 0.00 O ATOM 514 CB TYR A 36 0.169 -13.682 2.436 1.00 0.00 C ATOM 515 CG TYR A 36 0.732 -14.664 1.436 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.077 -15.160 0.407 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.063 -15.087 1.545 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.443 -16.078 -0.514 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.582 -16.006 0.624 1.00 0.00 C ATOM 520 CZ TYR A 36 1.773 -16.500 -0.405 1.00 0.00 C ATOM 521 OH TYR A 36 2.284 -17.406 -1.312 1.00 0.00 O ATOM 0 H TYR A 36 -1.589 -15.388 2.978 1.00 0.00 H new ATOM 0 HA TYR A 36 1.020 -14.770 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.809 -13.330 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.815 -12.807 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.103 -14.834 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.688 -14.705 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.182 -16.460 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.608 -16.334 0.708 1.00 0.00 H new ATOM 0 HH TYR A 36 3.221 -17.592 -1.095 1.00 0.00 H new ATOM 531 N GLY A 37 -1.633 -13.403 5.259 1.00 0.00 N ATOM 532 CA GLY A 37 -2.148 -12.480 6.261 1.00 0.00 C ATOM 533 C GLY A 37 -2.395 -11.096 5.667 1.00 0.00 C ATOM 534 O GLY A 37 -2.531 -10.115 6.398 1.00 0.00 O ATOM 0 H GLY A 37 -2.314 -14.080 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.077 -12.871 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.439 -12.403 7.085 1.00 0.00 H new ATOM 538 N VAL A 38 -2.459 -11.018 4.339 1.00 0.00 N ATOM 539 CA VAL A 38 -2.696 -9.737 3.681 1.00 0.00 C ATOM 540 C VAL A 38 -3.838 -9.840 2.674 1.00 0.00 C ATOM 541 O VAL A 38 -3.930 -10.804 1.914 1.00 0.00 O ATOM 542 CB VAL A 38 -1.425 -9.277 2.965 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.319 -9.035 3.994 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.976 -10.358 1.980 1.00 0.00 C ATOM 0 H VAL A 38 -2.352 -11.812 3.708 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.972 -9.010 4.445 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.627 -8.352 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.587 -8.707 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.638 -8.266 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.117 -9.959 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.070 -10.031 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.774 -11.282 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.764 -10.532 1.247 1.00 0.00 H new ATOM 554 N SER A 39 -4.710 -8.837 2.687 1.00 0.00 N ATOM 555 CA SER A 39 -5.859 -8.810 1.787 1.00 0.00 C ATOM 556 C SER A 39 -5.419 -8.754 0.327 1.00 0.00 C ATOM 557 O SER A 39 -4.428 -8.109 -0.014 1.00 0.00 O ATOM 558 CB SER A 39 -6.734 -7.597 2.101 1.00 0.00 C ATOM 559 OG SER A 39 -7.249 -7.717 3.421 1.00 0.00 O ATOM 0 H SER A 39 -4.644 -8.032 3.310 1.00 0.00 H new ATOM 0 HA SER A 39 -6.427 -9.728 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.152 -6.680 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.552 -7.529 1.384 1.00 0.00 H new ATOM 0 HG SER A 39 -7.809 -6.939 3.626 1.00 0.00 H new ATOM 565 N VAL A 40 -6.174 -9.438 -0.528 1.00 0.00 N ATOM 566 CA VAL A 40 -5.875 -9.471 -1.955 1.00 0.00 C ATOM 567 C VAL A 40 -6.937 -8.700 -2.736 1.00 0.00 C ATOM 568 O VAL A 40 -8.126 -9.007 -2.650 1.00 0.00 O ATOM 569 CB VAL A 40 -5.835 -10.916 -2.449 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.518 -10.938 -3.945 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.753 -11.683 -1.688 1.00 0.00 C ATOM 0 H VAL A 40 -6.997 -9.976 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.902 -9.006 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.804 -11.385 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.490 -11.970 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.288 -10.391 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.549 -10.469 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.723 -12.714 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.785 -11.213 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.979 -11.669 -0.622 1.00 0.00 H new ATOM 581 N PRO A 41 -6.534 -7.706 -3.480 1.00 0.00 N ATOM 582 CA PRO A 41 -7.477 -6.871 -4.282 1.00 0.00 C ATOM 583 C PRO A 41 -8.120 -7.653 -5.427 1.00 0.00 C ATOM 584 O PRO A 41 -7.502 -8.543 -6.012 1.00 0.00 O ATOM 585 CB PRO A 41 -6.591 -5.744 -4.819 1.00 0.00 C ATOM 586 CG PRO A 41 -5.209 -6.306 -4.825 1.00 0.00 C ATOM 587 CD PRO A 41 -5.140 -7.269 -3.643 1.00 0.00 C ATOM 0 HA PRO A 41 -8.316 -6.515 -3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.899 -5.444 -5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.654 -4.858 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.002 -6.823 -5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.466 -5.515 -4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.476 -8.109 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.765 -6.778 -2.745 1.00 0.00 H new ATOM 595 N SER A 42 -9.370 -7.315 -5.729 1.00 0.00 N ATOM 596 CA SER A 42 -10.115 -7.985 -6.790 1.00 0.00 C ATOM 597 C SER A 42 -9.432 -7.814 -8.145 1.00 0.00 C ATOM 598 O SER A 42 -9.444 -8.725 -8.971 1.00 0.00 O ATOM 599 CB SER A 42 -11.534 -7.419 -6.864 1.00 0.00 C ATOM 600 OG SER A 42 -12.235 -7.753 -5.673 1.00 0.00 O ATOM 0 H SER A 42 -9.890 -6.578 -5.252 1.00 0.00 H new ATOM 0 HA SER A 42 -10.149 -9.049 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.500 -6.337 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.055 -7.824 -7.732 1.00 0.00 H new ATOM 0 HG SER A 42 -13.144 -7.390 -5.716 1.00 0.00 H new ATOM 606 N ALA A 43 -8.853 -6.642 -8.374 1.00 0.00 N ATOM 607 CA ALA A 43 -8.190 -6.374 -9.647 1.00 0.00 C ATOM 608 C ALA A 43 -7.072 -7.384 -9.892 1.00 0.00 C ATOM 609 O ALA A 43 -6.905 -7.876 -11.006 1.00 0.00 O ATOM 610 CB ALA A 43 -7.611 -4.959 -9.645 1.00 0.00 C ATOM 0 H ALA A 43 -8.828 -5.871 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.926 -6.464 -10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.118 -4.766 -10.598 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.415 -4.237 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.887 -4.863 -8.836 1.00 0.00 H new ATOM 616 N VAL A 44 -6.319 -7.705 -8.846 1.00 0.00 N ATOM 617 CA VAL A 44 -5.242 -8.679 -8.977 1.00 0.00 C ATOM 618 C VAL A 44 -5.817 -10.081 -9.182 1.00 0.00 C ATOM 619 O VAL A 44 -5.340 -10.848 -10.018 1.00 0.00 O ATOM 620 CB VAL A 44 -4.366 -8.664 -7.723 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.364 -9.817 -7.786 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.608 -7.335 -7.648 1.00 0.00 C ATOM 0 H VAL A 44 -6.431 -7.312 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.637 -8.412 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.994 -8.777 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.740 -9.806 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.902 -10.764 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.735 -9.705 -8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.983 -7.322 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.980 -7.224 -8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.321 -6.512 -7.604 1.00 0.00 H new ATOM 632 N VAL A 45 -6.842 -10.401 -8.395 1.00 0.00 N ATOM 633 CA VAL A 45 -7.492 -11.709 -8.460 1.00 0.00 C ATOM 634 C VAL A 45 -8.164 -11.953 -9.810 1.00 0.00 C ATOM 635 O VAL A 45 -8.074 -13.051 -10.359 1.00 0.00 O ATOM 636 CB VAL A 45 -8.539 -11.815 -7.353 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.370 -13.084 -7.555 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.838 -11.874 -5.994 1.00 0.00 C ATOM 0 H VAL A 45 -7.242 -9.769 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.718 -12.465 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.194 -10.944 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.117 -13.159 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.869 -13.042 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.717 -13.956 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.584 -11.950 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.183 -12.745 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.247 -10.970 -5.850 1.00 0.00 H new ATOM 648 N GLU A 46 -8.849 -10.942 -10.337 1.00 0.00 N ATOM 649 CA GLU A 46 -9.534 -11.106 -11.616 1.00 0.00 C ATOM 650 C GLU A 46 -8.535 -11.405 -12.727 1.00 0.00 C ATOM 651 O GLU A 46 -8.774 -12.280 -13.561 1.00 0.00 O ATOM 652 CB GLU A 46 -10.325 -9.842 -11.959 1.00 0.00 C ATOM 653 CG GLU A 46 -9.365 -8.667 -12.135 1.00 0.00 C ATOM 654 CD GLU A 46 -10.148 -7.399 -12.463 1.00 0.00 C ATOM 655 OE1 GLU A 46 -9.520 -6.366 -12.633 1.00 0.00 O ATOM 656 OE2 GLU A 46 -11.362 -7.479 -12.539 1.00 0.00 O ATOM 0 H GLU A 46 -8.944 -10.020 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.222 -11.947 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.898 -9.997 -12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.042 -9.623 -11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.785 -8.521 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.655 -8.883 -12.934 1.00 0.00 H new ATOM 663 N GLU A 47 -7.421 -10.681 -12.744 1.00 0.00 N ATOM 664 CA GLU A 47 -6.411 -10.895 -13.771 1.00 0.00 C ATOM 665 C GLU A 47 -5.890 -12.324 -13.706 1.00 0.00 C ATOM 666 O GLU A 47 -5.738 -12.985 -14.733 1.00 0.00 O ATOM 667 CB GLU A 47 -5.251 -9.915 -13.580 1.00 0.00 C ATOM 668 CG GLU A 47 -4.220 -10.126 -14.691 1.00 0.00 C ATOM 669 CD GLU A 47 -3.079 -9.124 -14.541 1.00 0.00 C ATOM 670 OE1 GLU A 47 -2.172 -9.162 -15.356 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.130 -8.334 -13.613 1.00 0.00 O ATOM 0 H GLU A 47 -7.197 -9.951 -12.068 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.866 -10.726 -14.747 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.620 -8.889 -13.601 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.788 -10.068 -12.605 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.830 -11.143 -14.648 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.694 -10.007 -15.665 1.00 0.00 H new ATOM 678 N MET A 48 -5.630 -12.802 -12.494 1.00 0.00 N ATOM 679 CA MET A 48 -5.143 -14.164 -12.317 1.00 0.00 C ATOM 680 C MET A 48 -6.207 -15.152 -12.780 1.00 0.00 C ATOM 681 O MET A 48 -5.905 -16.161 -13.417 1.00 0.00 O ATOM 682 CB MET A 48 -4.821 -14.419 -10.842 1.00 0.00 C ATOM 683 CG MET A 48 -3.629 -13.560 -10.415 1.00 0.00 C ATOM 684 SD MET A 48 -2.196 -13.953 -11.446 1.00 0.00 S ATOM 685 CE MET A 48 -2.329 -12.528 -12.553 1.00 0.00 C ATOM 0 H MET A 48 -5.747 -12.274 -11.629 1.00 0.00 H new ATOM 0 HA MET A 48 -4.238 -14.296 -12.910 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.689 -14.185 -10.225 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.595 -15.474 -10.687 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.878 -12.503 -10.509 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.395 -13.741 -9.366 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.350 -12.303 -12.976 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.028 -12.756 -13.358 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.689 -11.665 -11.993 1.00 0.00 H new ATOM 695 N ASN A 49 -7.457 -14.836 -12.458 1.00 0.00 N ATOM 696 CA ASN A 49 -8.582 -15.678 -12.845 1.00 0.00 C ATOM 697 C ASN A 49 -8.747 -15.692 -14.361 1.00 0.00 C ATOM 698 O ASN A 49 -9.067 -16.722 -14.954 1.00 0.00 O ATOM 699 CB ASN A 49 -9.868 -15.159 -12.197 1.00 0.00 C ATOM 700 CG ASN A 49 -9.849 -15.444 -10.701 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.111 -16.318 -10.245 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.620 -14.756 -9.904 1.00 0.00 N ATOM 0 H ASN A 49 -7.716 -14.003 -11.930 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.384 -16.694 -12.503 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.965 -14.087 -12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.734 -15.636 -12.656 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.612 -14.942 -8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.230 -14.033 -10.284 1.00 0.00 H new ATOM 709 N ALA A 50 -8.535 -14.533 -14.978 1.00 0.00 N ATOM 710 CA ALA A 50 -8.675 -14.414 -16.425 1.00 0.00 C ATOM 711 C ALA A 50 -7.688 -15.326 -17.145 1.00 0.00 C ATOM 712 O ALA A 50 -8.044 -15.990 -18.117 1.00 0.00 O ATOM 713 CB ALA A 50 -8.438 -12.964 -16.852 1.00 0.00 C ATOM 0 H ALA A 50 -8.268 -13.670 -14.503 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.687 -14.716 -16.696 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.544 -12.881 -17.934 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.168 -12.317 -16.365 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.433 -12.659 -16.561 1.00 0.00 H new ATOM 719 N LYS A 51 -6.448 -15.353 -16.669 1.00 0.00 N ATOM 720 CA LYS A 51 -5.429 -16.188 -17.291 1.00 0.00 C ATOM 721 C LYS A 51 -5.815 -17.659 -17.209 1.00 0.00 C ATOM 722 O LYS A 51 -5.635 -18.408 -18.165 1.00 0.00 O ATOM 723 CB LYS A 51 -4.075 -15.973 -16.612 1.00 0.00 C ATOM 724 CG LYS A 51 -3.543 -14.583 -16.964 1.00 0.00 C ATOM 725 CD LYS A 51 -2.113 -14.438 -16.442 1.00 0.00 C ATOM 726 CE LYS A 51 -2.131 -14.404 -14.914 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.743 -14.207 -14.407 1.00 0.00 N ATOM 0 H LYS A 51 -6.127 -14.814 -15.865 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.352 -15.902 -18.340 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.178 -16.072 -15.531 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.368 -16.737 -16.936 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.564 -14.436 -18.044 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.181 -13.816 -16.526 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.501 -15.270 -16.791 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.663 -13.525 -16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.775 -13.597 -14.565 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.544 -15.334 -14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.741 -14.268 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.122 -14.944 -14.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.396 -13.271 -14.699 1.00 0.00 H new ATOM 741 N ALA A 52 -6.358 -18.066 -16.067 1.00 0.00 N ATOM 742 CA ALA A 52 -6.774 -19.451 -15.878 1.00 0.00 C ATOM 743 C ALA A 52 -7.832 -19.827 -16.906 1.00 0.00 C ATOM 744 O ALA A 52 -7.866 -20.955 -17.397 1.00 0.00 O ATOM 745 CB ALA A 52 -7.336 -19.642 -14.468 1.00 0.00 C ATOM 0 H ALA A 52 -6.520 -17.461 -15.262 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.906 -20.097 -16.009 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.644 -20.679 -14.336 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.569 -19.395 -13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.196 -18.988 -14.327 1.00 0.00 H new ATOM 751 N ALA A 53 -8.687 -18.868 -17.231 1.00 0.00 N ATOM 752 CA ALA A 53 -9.743 -19.092 -18.210 1.00 0.00 C ATOM 753 C ALA A 53 -9.151 -19.443 -19.573 1.00 0.00 C ATOM 754 O ALA A 53 -9.691 -20.281 -20.296 1.00 0.00 O ATOM 755 CB ALA A 53 -10.610 -17.838 -18.338 1.00 0.00 C ATOM 0 H ALA A 53 -8.671 -17.929 -16.833 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.355 -19.926 -17.868 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.397 -18.013 -19.072 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.059 -17.606 -17.372 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.992 -17.000 -18.662 1.00 0.00 H new ATOM 761 N GLN A 54 -8.038 -18.799 -19.918 1.00 0.00 N ATOM 762 CA GLN A 54 -7.386 -19.060 -21.197 1.00 0.00 C ATOM 763 C GLN A 54 -6.408 -20.228 -21.090 1.00 0.00 C ATOM 764 O GLN A 54 -5.953 -20.760 -22.103 1.00 0.00 O ATOM 765 CB GLN A 54 -6.639 -17.811 -21.676 1.00 0.00 C ATOM 766 CG GLN A 54 -7.635 -16.674 -21.910 1.00 0.00 C ATOM 767 CD GLN A 54 -7.863 -15.903 -20.616 1.00 0.00 C ATOM 768 OE1 GLN A 54 -6.851 -15.330 -20.024 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 -8.993 -15.816 -20.134 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.574 -18.101 -19.337 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.161 -19.321 -21.918 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.898 -17.512 -20.935 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.098 -18.029 -22.597 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.257 -16.002 -22.681 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.580 -17.077 -22.274 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.782 -16.265 -20.599 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.140 -15.295 -19.270 1.00 0.00 H new ATOM 778 N LEU A 55 -6.086 -20.625 -19.863 1.00 0.00 N ATOM 779 CA LEU A 55 -5.157 -21.733 -19.652 1.00 0.00 C ATOM 780 C LEU A 55 -5.813 -23.073 -19.969 1.00 0.00 C ATOM 781 O LEU A 55 -6.972 -23.311 -19.627 1.00 0.00 O ATOM 782 CB LEU A 55 -4.657 -21.742 -18.204 1.00 0.00 C ATOM 783 CG LEU A 55 -3.678 -20.587 -17.991 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.396 -20.427 -16.496 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.369 -20.891 -18.723 1.00 0.00 C ATOM 0 H LEU A 55 -6.449 -20.203 -19.008 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.314 -21.589 -20.328 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.499 -21.650 -17.518 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.169 -22.691 -17.983 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.111 -19.666 -18.381 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.698 -19.604 -16.343 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.327 -20.215 -15.971 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.961 -21.348 -16.107 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.669 -20.069 -18.573 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.938 -21.812 -18.330 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.567 -21.009 -19.788 1.00 0.00 H new ATOM 797 N LYS A 56 -5.051 -23.944 -20.620 1.00 0.00 N ATOM 798 CA LYS A 56 -5.540 -25.270 -20.980 1.00 0.00 C ATOM 799 C LYS A 56 -5.194 -26.270 -19.883 1.00 0.00 C ATOM 800 O LYS A 56 -4.393 -25.977 -18.997 1.00 0.00 O ATOM 801 CB LYS A 56 -4.917 -25.718 -22.304 1.00 0.00 C ATOM 802 CG LYS A 56 -5.336 -24.754 -23.417 1.00 0.00 C ATOM 803 CD LYS A 56 -4.825 -25.272 -24.762 1.00 0.00 C ATOM 804 CE LYS A 56 -3.301 -25.163 -24.807 1.00 0.00 C ATOM 805 NZ LYS A 56 -2.810 -25.594 -26.147 1.00 0.00 N ATOM 0 H LYS A 56 -4.091 -23.756 -20.910 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.623 -25.226 -21.093 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.831 -25.741 -22.218 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.239 -26.731 -22.545 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.422 -24.659 -23.441 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.934 -23.760 -23.222 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.130 -26.309 -24.904 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.265 -24.696 -25.576 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.993 -24.136 -24.608 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.858 -25.785 -24.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.773 -25.520 -26.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.092 -26.580 -26.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.222 -24.983 -26.881 1.00 0.00 H new ATOM 819 N ASP A 57 -5.797 -27.453 -19.945 1.00 0.00 N ATOM 820 CA ASP A 57 -5.532 -28.478 -18.942 1.00 0.00 C ATOM 821 C ASP A 57 -4.045 -28.818 -18.921 1.00 0.00 C ATOM 822 O ASP A 57 -3.345 -28.635 -19.917 1.00 0.00 O ATOM 823 CB ASP A 57 -6.341 -29.738 -19.254 1.00 0.00 C ATOM 824 CG ASP A 57 -5.863 -30.353 -20.564 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.449 -31.339 -20.980 1.00 0.00 O ATOM 826 OD2 ASP A 57 -4.919 -29.830 -21.131 1.00 0.00 O ATOM 0 H ASP A 57 -6.463 -27.723 -20.668 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.826 -28.095 -17.965 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.234 -30.459 -18.444 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.401 -29.492 -19.323 1.00 0.00 H new ATOM 831 N GLY A 58 -3.567 -29.304 -17.782 1.00 0.00 N ATOM 832 CA GLY A 58 -2.158 -29.656 -17.649 1.00 0.00 C ATOM 833 C GLY A 58 -1.315 -28.411 -17.394 1.00 0.00 C ATOM 834 O GLY A 58 -0.089 -28.452 -17.484 1.00 0.00 O ATOM 0 H GLY A 58 -4.127 -29.462 -16.945 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.030 -30.363 -16.829 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.815 -30.154 -18.556 1.00 0.00 H new ATOM 838 N GLU A 59 -1.984 -27.309 -17.075 1.00 0.00 N ATOM 839 CA GLU A 59 -1.292 -26.053 -16.803 1.00 0.00 C ATOM 840 C GLU A 59 -1.781 -25.436 -15.499 1.00 0.00 C ATOM 841 O GLU A 59 -2.937 -25.611 -15.112 1.00 0.00 O ATOM 842 CB GLU A 59 -1.509 -25.071 -17.954 1.00 0.00 C ATOM 843 CG GLU A 59 -0.760 -25.570 -19.189 1.00 0.00 C ATOM 844 CD GLU A 59 -1.080 -24.684 -20.388 1.00 0.00 C ATOM 845 OE1 GLU A 59 -1.985 -23.874 -20.275 1.00 0.00 O ATOM 846 OE2 GLU A 59 -0.413 -24.825 -21.399 1.00 0.00 O ATOM 0 H GLU A 59 -3.000 -27.259 -16.998 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.227 -26.266 -16.708 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.573 -24.978 -18.172 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.153 -24.080 -17.674 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.313 -25.566 -19.000 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.042 -26.601 -19.403 1.00 0.00 H new ATOM 853 N TRP A 60 -0.895 -24.707 -14.826 1.00 0.00 N ATOM 854 CA TRP A 60 -1.246 -24.061 -13.572 1.00 0.00 C ATOM 855 C TRP A 60 -0.681 -22.647 -13.525 1.00 0.00 C ATOM 856 O TRP A 60 0.369 -22.366 -14.101 1.00 0.00 O ATOM 857 CB TRP A 60 -0.705 -24.866 -12.390 1.00 0.00 C ATOM 858 CG TRP A 60 -1.342 -26.218 -12.372 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.804 -27.337 -12.909 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.620 -26.611 -11.798 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.675 -28.392 -12.702 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.808 -27.995 -12.020 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.625 -25.906 -11.113 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.954 -28.657 -11.578 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.780 -26.569 -10.665 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.944 -27.942 -10.898 1.00 0.00 C ATOM 0 H TRP A 60 0.066 -24.551 -15.129 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.333 -24.013 -13.506 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.378 -24.964 -12.469 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.911 -24.343 -11.456 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.148 -27.397 -13.416 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.501 -29.347 -13.015 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.509 -24.848 -10.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.075 -29.715 -11.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.545 -26.018 -10.138 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.834 -28.446 -10.552 1.00 0.00 H new ATOM 877 N LEU A 61 -1.380 -21.767 -12.826 1.00 0.00 N ATOM 878 CA LEU A 61 -0.942 -20.386 -12.693 1.00 0.00 C ATOM 879 C LEU A 61 -0.243 -20.210 -11.347 1.00 0.00 C ATOM 880 O LEU A 61 -0.702 -20.735 -10.333 1.00 0.00 O ATOM 881 CB LEU A 61 -2.142 -19.445 -12.794 1.00 0.00 C ATOM 882 CG LEU A 61 -1.663 -17.999 -12.717 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.701 -17.731 -13.874 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.869 -17.060 -12.825 1.00 0.00 C ATOM 0 H LEU A 61 -2.252 -21.983 -12.343 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.245 -20.144 -13.496 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.672 -19.614 -13.731 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.847 -19.649 -11.988 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.154 -17.826 -11.769 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.353 -16.699 -13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.153 -18.405 -13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.215 -17.898 -14.821 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.531 -16.025 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.376 -17.226 -13.776 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.560 -17.259 -12.006 1.00 0.00 H new ATOM 896 N ASN A 62 0.869 -19.481 -11.337 1.00 0.00 N ATOM 897 CA ASN A 62 1.610 -19.267 -10.100 1.00 0.00 C ATOM 898 C ASN A 62 1.487 -17.819 -9.638 1.00 0.00 C ATOM 899 O ASN A 62 1.843 -16.893 -10.367 1.00 0.00 O ATOM 900 CB ASN A 62 3.086 -19.614 -10.313 1.00 0.00 C ATOM 901 CG ASN A 62 3.872 -19.367 -9.029 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.502 -18.320 -8.878 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.872 -20.274 -8.091 1.00 0.00 N ATOM 0 H ASN A 62 1.272 -19.034 -12.160 1.00 0.00 H new ATOM 0 HA ASN A 62 1.189 -19.914 -9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.183 -20.657 -10.613 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.497 -19.010 -11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.395 -20.117 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.349 -21.140 -8.219 1.00 0.00 H new ATOM 910 N VAL A 63 0.985 -17.630 -8.423 1.00 0.00 N ATOM 911 CA VAL A 63 0.824 -16.288 -7.874 1.00 0.00 C ATOM 912 C VAL A 63 1.764 -16.082 -6.691 1.00 0.00 C ATOM 913 O VAL A 63 1.757 -16.861 -5.739 1.00 0.00 O ATOM 914 CB VAL A 63 -0.622 -16.077 -7.423 1.00 0.00 C ATOM 915 CG1 VAL A 63 -0.772 -14.677 -6.825 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.555 -16.218 -8.628 1.00 0.00 C ATOM 0 H VAL A 63 0.684 -18.382 -7.803 1.00 0.00 H new ATOM 0 HA VAL A 63 1.069 -15.564 -8.651 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.881 -16.822 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.803 -14.527 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.106 -14.574 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.514 -13.931 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.586 -16.068 -8.309 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.295 -15.472 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.449 -17.215 -9.056 1.00 0.00 H new ATOM 926 N SER A 64 2.573 -15.028 -6.757 1.00 0.00 N ATOM 927 CA SER A 64 3.518 -14.725 -5.688 1.00 0.00 C ATOM 928 C SER A 64 3.516 -13.226 -5.400 1.00 0.00 C ATOM 929 O SER A 64 2.910 -12.446 -6.134 1.00 0.00 O ATOM 930 CB SER A 64 4.923 -15.170 -6.090 1.00 0.00 C ATOM 931 OG SER A 64 4.924 -16.575 -6.313 1.00 0.00 O ATOM 0 H SER A 64 2.593 -14.372 -7.537 1.00 0.00 H new ATOM 0 HA SER A 64 3.217 -15.263 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.239 -14.647 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.636 -14.914 -5.307 1.00 0.00 H new ATOM 0 HG SER A 64 4.768 -16.755 -7.264 1.00 0.00 H new ATOM 937 N HIS A 65 4.197 -12.826 -4.331 1.00 0.00 N ATOM 938 CA HIS A 65 4.261 -11.413 -3.968 1.00 0.00 C ATOM 939 C HIS A 65 5.634 -11.079 -3.397 1.00 0.00 C ATOM 940 O HIS A 65 6.368 -11.970 -2.971 1.00 0.00 O ATOM 941 CB HIS A 65 3.191 -11.092 -2.924 1.00 0.00 C ATOM 942 CG HIS A 65 3.580 -11.702 -1.606 1.00 0.00 C ATOM 943 ND1 HIS A 65 4.139 -11.159 -0.476 1.00 0.00 N flip ATOM 944 CD2 HIS A 65 3.405 -13.049 -1.333 1.00 0.00 C flip ATOM 945 CE1 HIS A 65 4.311 -12.149 0.485 1.00 0.00 C flip ATOM 946 NE2 HIS A 65 3.853 -13.269 -0.083 1.00 0.00 N flip ATOM 0 H HIS A 65 4.707 -13.451 -3.707 1.00 0.00 H new ATOM 0 HA HIS A 65 4.087 -10.817 -4.864 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.082 -10.013 -2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.225 -11.481 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.986 -13.787 -2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.725 -12.037 1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.844 -14.180 0.375 1.00 0.00 H new ATOM 954 N GLU A 66 5.979 -9.796 -3.389 1.00 0.00 N ATOM 955 CA GLU A 66 7.269 -9.366 -2.867 1.00 0.00 C ATOM 956 C GLU A 66 7.098 -8.696 -1.507 1.00 0.00 C ATOM 957 O GLU A 66 6.265 -7.805 -1.344 1.00 0.00 O ATOM 958 CB GLU A 66 7.917 -8.383 -3.847 1.00 0.00 C ATOM 959 CG GLU A 66 9.268 -7.924 -3.297 1.00 0.00 C ATOM 960 CD GLU A 66 9.952 -7.002 -4.299 1.00 0.00 C ATOM 961 OE1 GLU A 66 11.044 -6.546 -4.005 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.374 -6.766 -5.349 1.00 0.00 O ATOM 0 H GLU A 66 5.387 -9.041 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 66 7.909 -10.240 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.051 -8.858 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.264 -7.523 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.127 -7.404 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.900 -8.788 -3.095 1.00 0.00 H new ATOM 969 N ALA A 67 7.892 -9.131 -0.533 1.00 0.00 N ATOM 970 CA ALA A 67 7.819 -8.565 0.808 1.00 0.00 C ATOM 971 C ALA A 67 9.211 -8.204 1.315 1.00 0.00 C ATOM 972 O ALA A 67 10.169 -8.494 0.616 1.00 0.00 O ATOM 973 CB ALA A 67 7.170 -9.568 1.763 1.00 0.00 C ATOM 0 H ALA A 67 8.588 -9.868 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 67 7.215 -7.659 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.119 -9.138 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.163 -9.801 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.765 -10.481 1.791 1.00 0.00 H new TER 979 ALA A 67