USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 830 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 5 SER OG : rot 180:sc= 0.359 USER MOD Set 1.2: A 7 THR OG1 : rot -112:sc= 0.38 USER MOD Set 2.1: A 0 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0181) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0159) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ -122:sc= 0.0908 (180deg=0) USER MOD Single : A 12 MET CE :methyl -170:sc=-0.00135 (180deg=-0.153) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -1.24 (180deg=-1.79!) USER MOD Single : A 16 MET CE :methyl -160:sc= -0.568 (180deg=-1.12) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.306 USER MOD Single : A 25 GLN : amide:sc= -0.0402 K(o=-0.04,f=-5.2!) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.194) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.631 F(o=-1.6,f=-0.63) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.108) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.38) USER MOD Single : A 53 SER OG : rot 47:sc= 0.169 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc=-0.00806 (180deg=-0.163) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -111:sc= -0.0304 (180deg=-1.19) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00356 USER MOD Single : A 89 SER OG : rot 180:sc= -0.175 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.146 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -11.894 -52.458 13.782 1.00 0.00 N ATOM 2 CA GLY A -1 -12.680 -51.421 13.091 1.00 0.00 C ATOM 3 C GLY A -1 -13.684 -52.019 12.108 1.00 0.00 C ATOM 4 O GLY A -1 -13.806 -53.240 12.017 1.00 0.00 O ATOM 0 H1 GLY A -1 -12.024 -52.365 14.810 1.00 0.00 H new ATOM 0 H2 GLY A -1 -12.215 -53.399 13.476 1.00 0.00 H new ATOM 0 H3 GLY A -1 -10.887 -52.343 13.549 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -13.210 -50.818 13.828 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -12.006 -50.752 12.557 1.00 0.00 H new ATOM 10 N SER A 0 -14.391 -51.154 11.373 1.00 0.00 N ATOM 11 CA SER A 0 -15.356 -51.548 10.357 1.00 0.00 C ATOM 12 C SER A 0 -15.412 -50.459 9.287 1.00 0.00 C ATOM 13 O SER A 0 -16.401 -49.735 9.191 1.00 0.00 O ATOM 14 CB SER A 0 -16.726 -51.802 11.004 1.00 0.00 C ATOM 15 OG SER A 0 -17.665 -52.182 10.021 1.00 0.00 O ATOM 0 H SER A 0 -14.302 -50.143 11.474 1.00 0.00 H new ATOM 0 HA SER A 0 -15.054 -52.480 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 0 -16.641 -52.584 11.758 1.00 0.00 H new ATOM 0 HB3 SER A 0 -17.068 -50.902 11.515 1.00 0.00 H new ATOM 0 HG SER A 0 -18.534 -52.343 10.444 1.00 0.00 H new ATOM 21 N MET A 1 -14.340 -50.376 8.485 1.00 0.00 N ATOM 22 CA MET A 1 -14.163 -49.466 7.360 1.00 0.00 C ATOM 23 C MET A 1 -13.998 -48.014 7.822 1.00 0.00 C ATOM 24 O MET A 1 -14.744 -47.528 8.669 1.00 0.00 O ATOM 25 CB MET A 1 -15.274 -49.606 6.303 1.00 0.00 C ATOM 26 CG MET A 1 -15.285 -50.976 5.608 1.00 0.00 C ATOM 27 SD MET A 1 -15.871 -52.403 6.568 1.00 0.00 S ATOM 28 CE MET A 1 -17.645 -52.044 6.621 1.00 0.00 C ATOM 0 H MET A 1 -13.530 -50.981 8.618 1.00 0.00 H new ATOM 0 HA MET A 1 -13.234 -49.759 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.241 -49.440 6.778 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.151 -48.826 5.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.905 -50.895 4.715 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.270 -51.191 5.273 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.167 -52.863 7.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.813 -51.120 7.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.024 -51.933 5.605 1.00 0.00 H new ATOM 38 N LYS A 2 -13.000 -47.327 7.252 1.00 0.00 N ATOM 39 CA LYS A 2 -12.708 -45.925 7.508 1.00 0.00 C ATOM 40 C LYS A 2 -12.976 -45.135 6.225 1.00 0.00 C ATOM 41 O LYS A 2 -12.855 -45.681 5.128 1.00 0.00 O ATOM 42 CB LYS A 2 -11.249 -45.753 7.956 1.00 0.00 C ATOM 43 CG LYS A 2 -10.904 -46.440 9.291 1.00 0.00 C ATOM 44 CD LYS A 2 -10.601 -47.949 9.238 1.00 0.00 C ATOM 45 CE LYS A 2 -9.466 -48.354 8.287 1.00 0.00 C ATOM 46 NZ LYS A 2 -8.230 -47.670 8.622 1.00 0.00 N ATOM 0 H LYS A 2 -12.359 -47.751 6.581 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.345 -45.553 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.595 -46.149 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.032 -44.688 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.038 -45.935 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.736 -46.285 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.350 -48.289 10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.508 -48.475 8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.313 -49.432 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.747 -48.120 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.465 -48.013 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.352 -46.646 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.987 -47.860 9.615 1.00 0.00 H new ATOM 59 N LYS A 3 -13.351 -43.857 6.359 1.00 0.00 N ATOM 60 CA LYS A 3 -13.698 -42.993 5.238 1.00 0.00 C ATOM 61 C LYS A 3 -13.599 -41.527 5.662 1.00 0.00 C ATOM 62 O LYS A 3 -13.797 -41.214 6.835 1.00 0.00 O ATOM 63 CB LYS A 3 -15.102 -43.337 4.715 1.00 0.00 C ATOM 64 CG LYS A 3 -16.199 -43.136 5.773 1.00 0.00 C ATOM 65 CD LYS A 3 -17.584 -43.548 5.258 1.00 0.00 C ATOM 66 CE LYS A 3 -17.731 -45.069 5.124 1.00 0.00 C ATOM 67 NZ LYS A 3 -19.095 -45.400 4.759 1.00 0.00 N ATOM 0 H LYS A 3 -13.421 -43.393 7.265 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.993 -43.157 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.323 -42.716 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.115 -44.373 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.956 -43.719 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.222 -42.089 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.348 -43.171 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.761 -43.082 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.041 -45.445 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.469 -45.553 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.190 -46.432 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.745 -45.055 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.330 -44.951 3.851 1.00 0.00 H new ATOM 80 N TRP A 4 -13.308 -40.645 4.697 1.00 0.00 N ATOM 81 CA TRP A 4 -13.289 -39.196 4.859 1.00 0.00 C ATOM 82 C TRP A 4 -13.015 -38.559 3.491 1.00 0.00 C ATOM 83 O TRP A 4 -12.256 -39.111 2.697 1.00 0.00 O ATOM 84 CB TRP A 4 -12.232 -38.745 5.884 1.00 0.00 C ATOM 85 CG TRP A 4 -10.806 -39.032 5.516 1.00 0.00 C ATOM 86 CD1 TRP A 4 -10.011 -38.196 4.813 1.00 0.00 C ATOM 87 CD2 TRP A 4 -9.997 -40.222 5.774 1.00 0.00 C ATOM 88 NE1 TRP A 4 -8.779 -38.776 4.603 1.00 0.00 N ATOM 89 CE2 TRP A 4 -8.718 -40.033 5.168 1.00 0.00 C ATOM 90 CE3 TRP A 4 -10.204 -41.441 6.457 1.00 0.00 C ATOM 91 CZ2 TRP A 4 -7.709 -41.005 5.224 1.00 0.00 C ATOM 92 CZ3 TRP A 4 -9.200 -42.427 6.510 1.00 0.00 C ATOM 93 CH2 TRP A 4 -7.956 -42.213 5.893 1.00 0.00 C ATOM 0 H TRP A 4 -13.071 -40.938 3.749 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.257 -38.872 5.242 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -12.339 -37.672 6.040 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -12.447 -39.229 6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.299 -37.215 4.466 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.012 -38.334 4.096 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -11.149 -41.620 6.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.752 -40.826 4.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -9.388 -43.355 7.029 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.193 -42.976 5.934 1.00 0.00 H new ATOM 104 N SER A 5 -13.647 -37.410 3.215 1.00 0.00 N ATOM 105 CA SER A 5 -13.564 -36.720 1.932 1.00 0.00 C ATOM 106 C SER A 5 -13.428 -35.212 2.154 1.00 0.00 C ATOM 107 O SER A 5 -14.344 -34.451 1.845 1.00 0.00 O ATOM 108 CB SER A 5 -14.802 -37.071 1.095 1.00 0.00 C ATOM 109 OG SER A 5 -14.700 -36.515 -0.201 1.00 0.00 O ATOM 0 H SER A 5 -14.239 -36.930 3.893 1.00 0.00 H new ATOM 0 HA SER A 5 -12.679 -37.044 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.905 -38.154 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.699 -36.696 1.588 1.00 0.00 H new ATOM 0 HG SER A 5 -15.497 -36.750 -0.721 1.00 0.00 H new ATOM 115 N ASP A 6 -12.273 -34.779 2.675 1.00 0.00 N ATOM 116 CA ASP A 6 -11.942 -33.380 2.905 1.00 0.00 C ATOM 117 C ASP A 6 -11.503 -32.707 1.596 1.00 0.00 C ATOM 118 O ASP A 6 -10.381 -32.218 1.478 1.00 0.00 O ATOM 119 CB ASP A 6 -10.897 -33.274 4.030 1.00 0.00 C ATOM 120 CG ASP A 6 -9.522 -33.848 3.675 1.00 0.00 C ATOM 121 OD1 ASP A 6 -8.519 -33.160 3.853 1.00 0.00 O ATOM 122 OD2 ASP A 6 -9.501 -35.117 3.174 1.00 0.00 O ATOM 0 H ASP A 6 -11.527 -35.416 2.954 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.825 -32.836 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.780 -32.225 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.276 -33.791 4.911 1.00 0.00 H new ATOM 128 N THR A 7 -12.398 -32.706 0.603 1.00 0.00 N ATOM 129 CA THR A 7 -12.111 -32.361 -0.783 1.00 0.00 C ATOM 130 C THR A 7 -13.030 -31.219 -1.230 1.00 0.00 C ATOM 131 O THR A 7 -13.865 -31.397 -2.115 1.00 0.00 O ATOM 132 CB THR A 7 -12.286 -33.624 -1.644 1.00 0.00 C ATOM 133 OG1 THR A 7 -13.554 -34.205 -1.398 1.00 0.00 O ATOM 134 CG2 THR A 7 -11.205 -34.665 -1.329 1.00 0.00 C ATOM 0 H THR A 7 -13.376 -32.955 0.753 1.00 0.00 H new ATOM 0 HA THR A 7 -11.086 -32.009 -0.896 1.00 0.00 H new ATOM 0 HB THR A 7 -12.201 -33.326 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.437 -35.065 -0.942 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.355 -35.546 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.221 -34.241 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.269 -34.949 -0.279 1.00 0.00 H new ATOM 142 N GLU A 8 -12.876 -30.040 -0.611 1.00 0.00 N ATOM 143 CA GLU A 8 -13.734 -28.890 -0.866 1.00 0.00 C ATOM 144 C GLU A 8 -12.971 -27.598 -0.550 1.00 0.00 C ATOM 145 O GLU A 8 -12.206 -27.560 0.411 1.00 0.00 O ATOM 146 CB GLU A 8 -15.009 -29.039 -0.024 1.00 0.00 C ATOM 147 CG GLU A 8 -16.135 -28.105 -0.480 1.00 0.00 C ATOM 148 CD GLU A 8 -17.385 -28.310 0.371 1.00 0.00 C ATOM 149 OE1 GLU A 8 -18.377 -28.838 -0.126 1.00 0.00 O ATOM 150 OE2 GLU A 8 -17.302 -27.883 1.663 1.00 0.00 O ATOM 0 H GLU A 8 -12.148 -29.864 0.082 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.023 -28.841 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.355 -30.071 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.775 -28.835 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.806 -27.068 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.368 -28.293 -1.528 1.00 0.00 H new ATOM 158 N VAL A 9 -13.179 -26.561 -1.377 1.00 0.00 N ATOM 159 CA VAL A 9 -12.499 -25.267 -1.349 1.00 0.00 C ATOM 160 C VAL A 9 -10.999 -25.409 -1.645 1.00 0.00 C ATOM 161 O VAL A 9 -10.236 -25.856 -0.790 1.00 0.00 O ATOM 162 CB VAL A 9 -12.756 -24.483 -0.045 1.00 0.00 C ATOM 163 CG1 VAL A 9 -12.193 -23.059 -0.167 1.00 0.00 C ATOM 164 CG2 VAL A 9 -14.252 -24.381 0.281 1.00 0.00 C ATOM 0 H VAL A 9 -13.869 -26.612 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.936 -24.672 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.259 -25.029 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.379 -22.514 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.120 -23.107 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.680 -22.545 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.385 -23.821 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.767 -23.868 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.668 -25.382 0.399 1.00 0.00 H new ATOM 174 N PHE A 10 -10.574 -24.980 -2.840 1.00 0.00 N ATOM 175 CA PHE A 10 -9.168 -24.843 -3.220 1.00 0.00 C ATOM 176 C PHE A 10 -8.746 -23.368 -3.224 1.00 0.00 C ATOM 177 O PHE A 10 -7.586 -23.057 -2.961 1.00 0.00 O ATOM 178 CB PHE A 10 -8.922 -25.492 -4.587 1.00 0.00 C ATOM 179 CG PHE A 10 -9.752 -24.934 -5.728 1.00 0.00 C ATOM 180 CD1 PHE A 10 -9.271 -23.853 -6.493 1.00 0.00 C ATOM 181 CD2 PHE A 10 -10.991 -25.518 -6.048 1.00 0.00 C ATOM 182 CE1 PHE A 10 -10.021 -23.367 -7.577 1.00 0.00 C ATOM 183 CE2 PHE A 10 -11.740 -25.032 -7.134 1.00 0.00 C ATOM 184 CZ PHE A 10 -11.249 -23.966 -7.906 1.00 0.00 C ATOM 0 H PHE A 10 -11.217 -24.713 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.556 -25.360 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.867 -25.382 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.120 -26.561 -4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.324 -23.397 -6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.367 -26.341 -5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.654 -22.533 -8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.693 -25.478 -7.375 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.815 -23.607 -8.753 1.00 0.00 H new ATOM 194 N GLU A 11 -9.690 -22.469 -3.532 1.00 0.00 N ATOM 195 CA GLU A 11 -9.480 -21.032 -3.618 1.00 0.00 C ATOM 196 C GLU A 11 -9.399 -20.417 -2.215 1.00 0.00 C ATOM 197 O GLU A 11 -10.316 -19.729 -1.771 1.00 0.00 O ATOM 198 CB GLU A 11 -10.554 -20.377 -4.507 1.00 0.00 C ATOM 199 CG GLU A 11 -12.004 -20.774 -4.175 1.00 0.00 C ATOM 200 CD GLU A 11 -12.451 -22.036 -4.911 1.00 0.00 C ATOM 201 OE1 GLU A 11 -12.408 -23.121 -4.334 1.00 0.00 O ATOM 202 OE2 GLU A 11 -12.875 -21.859 -6.195 1.00 0.00 O ATOM 0 H GLU A 11 -10.652 -22.740 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.522 -20.836 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.462 -19.294 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.351 -20.636 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.096 -20.933 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.670 -19.951 -4.434 1.00 0.00 H new ATOM 210 N MET A 12 -8.278 -20.666 -1.529 1.00 0.00 N ATOM 211 CA MET A 12 -8.000 -20.145 -0.199 1.00 0.00 C ATOM 212 C MET A 12 -7.947 -18.617 -0.226 1.00 0.00 C ATOM 213 O MET A 12 -8.849 -17.962 0.291 1.00 0.00 O ATOM 214 CB MET A 12 -6.686 -20.739 0.327 1.00 0.00 C ATOM 215 CG MET A 12 -6.844 -22.225 0.664 1.00 0.00 C ATOM 216 SD MET A 12 -5.374 -22.997 1.389 1.00 0.00 S ATOM 217 CE MET A 12 -4.233 -22.902 -0.014 1.00 0.00 C ATOM 0 H MET A 12 -7.526 -21.249 -1.897 1.00 0.00 H new ATOM 0 HA MET A 12 -8.803 -20.437 0.477 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.903 -20.615 -0.421 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.368 -20.194 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.677 -22.340 1.357 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.109 -22.764 -0.246 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.341 -23.491 0.202 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.720 -23.295 -0.906 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.950 -21.863 -0.183 1.00 0.00 H new ATOM 227 N LEU A 13 -6.886 -18.056 -0.822 1.00 0.00 N ATOM 228 CA LEU A 13 -6.639 -16.623 -0.838 1.00 0.00 C ATOM 229 C LEU A 13 -6.171 -16.164 -2.214 1.00 0.00 C ATOM 230 O LEU A 13 -5.495 -16.907 -2.923 1.00 0.00 O ATOM 231 CB LEU A 13 -5.668 -16.242 0.286 1.00 0.00 C ATOM 232 CG LEU A 13 -4.229 -16.755 0.117 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.330 -15.652 -0.459 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.680 -17.182 1.482 1.00 0.00 C ATOM 0 H LEU A 13 -6.172 -18.598 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.573 -16.095 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.641 -15.155 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.063 -16.622 1.228 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.238 -17.602 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.315 -16.032 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.712 -15.342 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.324 -14.797 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.659 -17.546 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.686 -16.328 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.304 -17.976 1.893 1.00 0.00 H new ATOM 246 N LYS A 14 -6.576 -14.943 -2.585 1.00 0.00 N ATOM 247 CA LYS A 14 -6.413 -14.396 -3.931 1.00 0.00 C ATOM 248 C LYS A 14 -5.640 -13.069 -3.912 1.00 0.00 C ATOM 249 O LYS A 14 -5.513 -12.453 -2.853 1.00 0.00 O ATOM 250 CB LYS A 14 -7.780 -14.320 -4.630 1.00 0.00 C ATOM 251 CG LYS A 14 -8.552 -13.004 -4.473 1.00 0.00 C ATOM 252 CD LYS A 14 -8.836 -12.571 -3.031 1.00 0.00 C ATOM 253 CE LYS A 14 -10.005 -13.287 -2.341 1.00 0.00 C ATOM 254 NZ LYS A 14 -9.714 -14.683 -2.081 1.00 0.00 N ATOM 0 H LYS A 14 -7.035 -14.297 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.794 -15.067 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.631 -14.504 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.404 -15.130 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.989 -12.212 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.502 -13.096 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.935 -12.731 -2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.035 -11.499 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.234 -12.784 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.895 -13.213 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.384 -15.052 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.805 -15.227 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.744 -14.773 -1.717 1.00 0.00 H new ATOM 267 N ARG A 15 -5.133 -12.616 -5.072 1.00 0.00 N ATOM 268 CA ARG A 15 -4.536 -11.287 -5.184 1.00 0.00 C ATOM 269 C ARG A 15 -5.623 -10.260 -5.482 1.00 0.00 C ATOM 270 O ARG A 15 -6.289 -10.326 -6.513 1.00 0.00 O ATOM 271 CB ARG A 15 -3.376 -11.221 -6.194 1.00 0.00 C ATOM 272 CG ARG A 15 -3.810 -11.329 -7.659 1.00 0.00 C ATOM 273 CD ARG A 15 -2.611 -11.504 -8.600 1.00 0.00 C ATOM 274 NE ARG A 15 -1.917 -10.233 -8.850 1.00 0.00 N ATOM 275 CZ ARG A 15 -2.302 -9.312 -9.752 1.00 0.00 C ATOM 276 NH1 ARG A 15 -3.439 -9.463 -10.448 1.00 0.00 N ATOM 277 NH2 ARG A 15 -1.543 -8.228 -9.957 1.00 0.00 N ATOM 0 H ARG A 15 -5.128 -13.154 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.080 -11.048 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.841 -10.282 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.673 -12.025 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.489 -12.174 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.364 -10.434 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.912 -12.220 -8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.951 -11.923 -9.547 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.082 -10.034 -8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.024 -10.284 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.718 -8.756 -11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.678 -8.104 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.830 -7.526 -10.640 1.00 0.00 H new ATOM 291 N MET A 16 -5.798 -9.298 -4.578 1.00 0.00 N ATOM 292 CA MET A 16 -6.646 -8.157 -4.827 1.00 0.00 C ATOM 293 C MET A 16 -5.809 -7.051 -5.469 1.00 0.00 C ATOM 294 O MET A 16 -5.205 -6.212 -4.801 1.00 0.00 O ATOM 295 CB MET A 16 -7.368 -7.727 -3.557 1.00 0.00 C ATOM 296 CG MET A 16 -6.499 -7.503 -2.320 1.00 0.00 C ATOM 297 SD MET A 16 -7.148 -6.316 -1.122 1.00 0.00 S ATOM 298 CE MET A 16 -7.067 -4.783 -2.091 1.00 0.00 C ATOM 0 H MET A 16 -5.354 -9.296 -3.660 1.00 0.00 H new ATOM 0 HA MET A 16 -7.438 -8.415 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.907 -6.803 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.115 -8.484 -3.317 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.358 -8.460 -1.818 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.515 -7.165 -2.644 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.086 -3.926 -1.418 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.145 -4.768 -2.672 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.922 -4.734 -2.766 1.00 0.00 H new ATOM 308 N TYR A 17 -5.788 -7.062 -6.799 1.00 0.00 N ATOM 309 CA TYR A 17 -5.175 -6.018 -7.596 1.00 0.00 C ATOM 310 C TYR A 17 -6.131 -4.833 -7.572 1.00 0.00 C ATOM 311 O TYR A 17 -7.320 -5.013 -7.810 1.00 0.00 O ATOM 312 CB TYR A 17 -4.915 -6.555 -9.009 1.00 0.00 C ATOM 313 CG TYR A 17 -4.719 -5.506 -10.086 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.685 -4.558 -9.980 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.564 -5.492 -11.213 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.478 -3.622 -11.007 1.00 0.00 C ATOM 317 CE2 TYR A 17 -5.384 -4.527 -12.219 1.00 0.00 C ATOM 318 CZ TYR A 17 -4.324 -3.610 -12.130 1.00 0.00 C ATOM 319 OH TYR A 17 -4.120 -2.712 -13.137 1.00 0.00 O ATOM 0 H TYR A 17 -6.204 -7.809 -7.356 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.209 -5.698 -7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.029 -7.189 -8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.752 -7.191 -9.296 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.049 -4.550 -9.107 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.352 -6.225 -11.304 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.668 -2.911 -10.934 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.061 -4.491 -13.060 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.795 -2.844 -13.835 1.00 0.00 H new ATOM 329 N ALA A 18 -5.636 -3.638 -7.237 1.00 0.00 N ATOM 330 CA ALA A 18 -6.472 -2.457 -7.138 1.00 0.00 C ATOM 331 C ALA A 18 -5.708 -1.207 -7.536 1.00 0.00 C ATOM 332 O ALA A 18 -4.616 -0.946 -7.039 1.00 0.00 O ATOM 333 CB ALA A 18 -7.049 -2.326 -5.727 1.00 0.00 C ATOM 0 H ALA A 18 -4.651 -3.471 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.301 -2.569 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.674 -1.435 -5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.650 -3.206 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.235 -2.244 -5.007 1.00 0.00 H new ATOM 339 N ARG A 19 -6.304 -0.443 -8.452 1.00 0.00 N ATOM 340 CA ARG A 19 -5.692 0.722 -9.058 1.00 0.00 C ATOM 341 C ARG A 19 -6.238 1.979 -8.386 1.00 0.00 C ATOM 342 O ARG A 19 -7.301 2.470 -8.764 1.00 0.00 O ATOM 343 CB ARG A 19 -5.991 0.694 -10.560 1.00 0.00 C ATOM 344 CG ARG A 19 -5.052 -0.280 -11.269 1.00 0.00 C ATOM 345 CD ARG A 19 -3.645 0.318 -11.404 1.00 0.00 C ATOM 346 NE ARG A 19 -3.515 1.131 -12.619 1.00 0.00 N ATOM 347 CZ ARG A 19 -2.360 1.632 -13.088 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.193 1.338 -12.498 1.00 0.00 N ATOM 349 NH2 ARG A 19 -2.379 2.445 -14.152 1.00 0.00 N ATOM 0 H ARG A 19 -7.246 -0.628 -8.795 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.610 0.721 -8.923 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.027 0.397 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.874 1.693 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.002 -1.215 -10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.447 -0.519 -12.257 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.425 0.932 -10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.908 -0.485 -11.423 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.365 1.331 -13.147 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.174 0.727 -11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.324 1.726 -12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.265 2.679 -14.599 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.507 2.830 -14.515 1.00 0.00 H new ATOM 363 N VAL A 20 -5.513 2.477 -7.377 1.00 0.00 N ATOM 364 CA VAL A 20 -5.950 3.591 -6.547 1.00 0.00 C ATOM 365 C VAL A 20 -5.494 4.903 -7.188 1.00 0.00 C ATOM 366 O VAL A 20 -4.315 5.250 -7.118 1.00 0.00 O ATOM 367 CB VAL A 20 -5.442 3.429 -5.104 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.012 4.553 -4.229 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.838 2.077 -4.499 1.00 0.00 C ATOM 0 H VAL A 20 -4.598 2.110 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.038 3.606 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.354 3.479 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.651 4.437 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.689 5.518 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.101 4.504 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.457 2.009 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.924 1.988 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.414 1.272 -5.099 1.00 0.00 H new ATOM 379 N TYR A 21 -6.430 5.619 -7.824 1.00 0.00 N ATOM 380 CA TYR A 21 -6.156 6.863 -8.536 1.00 0.00 C ATOM 381 C TYR A 21 -6.580 8.061 -7.701 1.00 0.00 C ATOM 382 O TYR A 21 -7.620 8.020 -7.043 1.00 0.00 O ATOM 383 CB TYR A 21 -6.910 6.895 -9.873 1.00 0.00 C ATOM 384 CG TYR A 21 -6.609 5.772 -10.852 1.00 0.00 C ATOM 385 CD1 TYR A 21 -5.435 5.000 -10.745 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.503 5.519 -11.908 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.132 4.034 -11.713 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.243 4.488 -12.827 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.036 3.770 -12.754 1.00 0.00 C ATOM 390 OH TYR A 21 -5.739 2.810 -13.678 1.00 0.00 O ATOM 0 H TYR A 21 -7.411 5.342 -7.856 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.083 6.912 -8.722 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.979 6.885 -9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.691 7.843 -10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.765 5.154 -9.912 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.394 6.120 -12.013 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.200 3.491 -11.658 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.970 4.247 -13.589 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.467 2.748 -14.331 1.00 0.00 H new ATOM 400 N GLY A 22 -5.800 9.146 -7.783 1.00 0.00 N ATOM 401 CA GLY A 22 -6.169 10.431 -7.222 1.00 0.00 C ATOM 402 C GLY A 22 -4.962 11.305 -6.940 1.00 0.00 C ATOM 403 O GLY A 22 -3.845 10.993 -7.347 1.00 0.00 O ATOM 0 H GLY A 22 -4.891 9.146 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.836 10.948 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.725 10.275 -6.298 1.00 0.00 H new ATOM 407 N LEU A 23 -5.198 12.367 -6.162 1.00 0.00 N ATOM 408 CA LEU A 23 -4.148 13.192 -5.580 1.00 0.00 C ATOM 409 C LEU A 23 -3.575 12.525 -4.315 1.00 0.00 C ATOM 410 O LEU A 23 -2.954 13.179 -3.481 1.00 0.00 O ATOM 411 CB LEU A 23 -4.719 14.592 -5.323 1.00 0.00 C ATOM 412 CG LEU A 23 -3.655 15.694 -5.163 1.00 0.00 C ATOM 413 CD1 LEU A 23 -3.097 16.129 -6.524 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.278 16.904 -4.460 1.00 0.00 C ATOM 0 H LEU A 23 -6.139 12.677 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.307 13.293 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.379 14.859 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.331 14.562 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.834 15.294 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.348 16.908 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.639 15.273 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.907 16.516 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.526 17.685 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.108 17.283 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.643 16.606 -3.477 1.00 0.00 H new ATOM 426 N VAL A 24 -3.766 11.206 -4.177 1.00 0.00 N ATOM 427 CA VAL A 24 -3.266 10.401 -3.070 1.00 0.00 C ATOM 428 C VAL A 24 -1.740 10.213 -3.122 1.00 0.00 C ATOM 429 O VAL A 24 -1.169 9.618 -2.209 1.00 0.00 O ATOM 430 CB VAL A 24 -4.003 9.048 -3.047 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.522 9.227 -2.943 1.00 0.00 C ATOM 432 CG2 VAL A 24 -3.691 8.199 -4.285 1.00 0.00 C ATOM 0 H VAL A 24 -4.291 10.658 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.469 10.935 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.640 8.529 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.004 8.249 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.763 9.763 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.881 9.797 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.233 7.255 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.998 8.737 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.620 8.001 -4.330 1.00 0.00 H new ATOM 442 N GLN A 25 -1.080 10.722 -4.174 1.00 0.00 N ATOM 443 CA GLN A 25 0.338 10.534 -4.462 1.00 0.00 C ATOM 444 C GLN A 25 1.238 11.498 -3.676 1.00 0.00 C ATOM 445 O GLN A 25 2.292 11.912 -4.157 1.00 0.00 O ATOM 446 CB GLN A 25 0.529 10.681 -5.978 1.00 0.00 C ATOM 447 CG GLN A 25 1.429 9.574 -6.531 1.00 0.00 C ATOM 448 CD GLN A 25 0.704 8.232 -6.646 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.340 8.024 -6.037 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.249 7.316 -7.448 1.00 0.00 N ATOM 0 H GLN A 25 -1.546 11.300 -4.873 1.00 0.00 H new ATOM 0 HA GLN A 25 0.643 9.539 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.441 10.647 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.967 11.654 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.800 9.868 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.298 9.459 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.119 7.521 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.796 6.410 -7.569 1.00 0.00 H new ATOM 459 N GLY A 26 0.824 11.843 -2.457 1.00 0.00 N ATOM 460 CA GLY A 26 1.512 12.787 -1.596 1.00 0.00 C ATOM 461 C GLY A 26 0.595 13.245 -0.466 1.00 0.00 C ATOM 462 O GLY A 26 0.355 14.441 -0.309 1.00 0.00 O ATOM 0 H GLY A 26 -0.022 11.460 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.407 12.324 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.839 13.648 -2.179 1.00 0.00 H new ATOM 466 N VAL A 27 0.091 12.289 0.322 1.00 0.00 N ATOM 467 CA VAL A 27 -0.733 12.545 1.497 1.00 0.00 C ATOM 468 C VAL A 27 -0.654 11.323 2.419 1.00 0.00 C ATOM 469 O VAL A 27 0.097 10.390 2.132 1.00 0.00 O ATOM 470 CB VAL A 27 -2.166 12.942 1.060 1.00 0.00 C ATOM 471 CG1 VAL A 27 -3.176 11.784 1.002 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.708 14.081 1.930 1.00 0.00 C ATOM 0 H VAL A 27 0.251 11.296 0.153 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.368 13.395 2.074 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.057 13.280 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.148 12.164 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.830 11.035 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.267 11.331 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.715 14.341 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.736 13.762 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.059 14.952 1.835 1.00 0.00 H new ATOM 482 N GLY A 28 -1.428 11.315 3.512 1.00 0.00 N ATOM 483 CA GLY A 28 -1.613 10.156 4.376 1.00 0.00 C ATOM 484 C GLY A 28 -2.428 9.054 3.688 1.00 0.00 C ATOM 485 O GLY A 28 -3.535 8.732 4.116 1.00 0.00 O ATOM 0 H GLY A 28 -1.951 12.134 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.640 9.760 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.118 10.463 5.292 1.00 0.00 H new ATOM 489 N PHE A 29 -1.849 8.461 2.639 1.00 0.00 N ATOM 490 CA PHE A 29 -2.289 7.245 1.977 1.00 0.00 C ATOM 491 C PHE A 29 -1.059 6.357 1.789 1.00 0.00 C ATOM 492 O PHE A 29 0.067 6.795 2.030 1.00 0.00 O ATOM 493 CB PHE A 29 -2.943 7.574 0.624 1.00 0.00 C ATOM 494 CG PHE A 29 -3.520 6.361 -0.091 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.567 5.633 0.511 1.00 0.00 C ATOM 496 CD2 PHE A 29 -2.831 5.801 -1.185 1.00 0.00 C ATOM 497 CE1 PHE A 29 -4.895 4.347 0.050 1.00 0.00 C ATOM 498 CE2 PHE A 29 -3.140 4.502 -1.626 1.00 0.00 C ATOM 499 CZ PHE A 29 -4.164 3.771 -1.002 1.00 0.00 C ATOM 0 H PHE A 29 -1.009 8.847 2.209 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.038 6.729 2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.738 8.302 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.202 8.046 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.120 6.067 1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.063 6.371 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.709 3.802 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.589 4.066 -2.446 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.389 2.767 -1.331 1.00 0.00 H new ATOM 509 N ARG A 30 -1.276 5.110 1.353 1.00 0.00 N ATOM 510 CA ARG A 30 -0.248 4.131 1.041 1.00 0.00 C ATOM 511 C ARG A 30 0.222 3.510 2.354 1.00 0.00 C ATOM 512 O ARG A 30 -0.014 2.330 2.604 1.00 0.00 O ATOM 513 CB ARG A 30 0.859 4.728 0.154 1.00 0.00 C ATOM 514 CG ARG A 30 1.482 3.634 -0.714 1.00 0.00 C ATOM 515 CD ARG A 30 2.413 4.180 -1.801 1.00 0.00 C ATOM 516 NE ARG A 30 3.677 4.698 -1.267 1.00 0.00 N ATOM 517 CZ ARG A 30 3.946 5.972 -0.934 1.00 0.00 C ATOM 518 NH1 ARG A 30 3.005 6.926 -0.989 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.188 6.284 -0.546 1.00 0.00 N ATOM 0 H ARG A 30 -2.218 4.748 1.204 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.643 3.323 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.445 5.514 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.625 5.190 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.041 2.949 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.687 3.055 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.626 3.389 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.902 4.975 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 30 4.429 4.022 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.059 6.692 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.236 7.885 -0.731 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.907 5.562 -0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.416 7.244 -0.289 1.00 0.00 H new ATOM 533 N LYS A 31 0.791 4.340 3.234 1.00 0.00 N ATOM 534 CA LYS A 31 1.014 4.005 4.631 1.00 0.00 C ATOM 535 C LYS A 31 -0.317 3.559 5.272 1.00 0.00 C ATOM 536 O LYS A 31 -0.351 2.604 6.037 1.00 0.00 O ATOM 537 CB LYS A 31 1.578 5.243 5.353 1.00 0.00 C ATOM 538 CG LYS A 31 2.695 4.919 6.355 1.00 0.00 C ATOM 539 CD LYS A 31 2.273 3.923 7.441 1.00 0.00 C ATOM 540 CE LYS A 31 3.416 3.718 8.440 1.00 0.00 C ATOM 541 NZ LYS A 31 3.019 2.769 9.460 1.00 0.00 N ATOM 0 H LYS A 31 1.112 5.276 2.985 1.00 0.00 H new ATOM 0 HA LYS A 31 1.728 3.186 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.961 5.943 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.767 5.747 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.551 4.514 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.026 5.843 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.388 4.292 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.002 2.970 6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.303 3.356 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.682 4.669 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.856 2.468 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.335 3.217 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.580 1.940 9.011 1.00 0.00 H new ATOM 554 N PHE A 32 -1.428 4.242 4.956 1.00 0.00 N ATOM 555 CA PHE A 32 -2.755 3.886 5.458 1.00 0.00 C ATOM 556 C PHE A 32 -3.072 2.416 5.155 1.00 0.00 C ATOM 557 O PHE A 32 -3.357 1.636 6.063 1.00 0.00 O ATOM 558 CB PHE A 32 -3.798 4.826 4.831 1.00 0.00 C ATOM 559 CG PHE A 32 -5.218 4.796 5.381 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.603 3.975 6.464 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.150 5.711 4.855 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.888 4.083 7.022 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.417 5.852 5.445 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.791 5.036 6.526 1.00 0.00 C ATOM 0 H PHE A 32 -1.427 5.058 4.344 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.780 4.004 6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.426 5.846 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.849 4.603 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.903 3.258 6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.889 6.308 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.181 3.432 7.833 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.107 6.591 5.066 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.768 5.142 6.973 1.00 0.00 H new ATOM 574 N VAL A 33 -2.999 2.024 3.879 1.00 0.00 N ATOM 575 CA VAL A 33 -3.265 0.651 3.472 1.00 0.00 C ATOM 576 C VAL A 33 -2.192 -0.319 3.993 1.00 0.00 C ATOM 577 O VAL A 33 -2.484 -1.505 4.114 1.00 0.00 O ATOM 578 CB VAL A 33 -3.552 0.562 1.957 1.00 0.00 C ATOM 579 CG1 VAL A 33 -2.452 1.160 1.078 1.00 0.00 C ATOM 580 CG2 VAL A 33 -3.826 -0.878 1.511 1.00 0.00 C ATOM 0 H VAL A 33 -2.756 2.647 3.109 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.184 0.315 3.952 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.447 1.168 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.729 1.058 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.327 2.216 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.515 0.633 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.023 -0.896 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.957 -1.498 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.693 -1.266 2.046 1.00 0.00 H new ATOM 590 N GLN A 34 -1.005 0.168 4.390 1.00 0.00 N ATOM 591 CA GLN A 34 -0.060 -0.625 5.172 1.00 0.00 C ATOM 592 C GLN A 34 -0.735 -1.088 6.463 1.00 0.00 C ATOM 593 O GLN A 34 -0.832 -2.289 6.680 1.00 0.00 O ATOM 594 CB GLN A 34 1.233 0.160 5.470 1.00 0.00 C ATOM 595 CG GLN A 34 2.410 -0.695 5.952 1.00 0.00 C ATOM 596 CD GLN A 34 3.098 -1.509 4.863 1.00 0.00 C ATOM 597 OE1 GLN A 34 2.601 -1.458 3.627 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 4.088 -2.178 5.145 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.682 1.112 4.178 1.00 0.00 H new ATOM 0 HA GLN A 34 0.231 -1.497 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.534 0.691 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.017 0.914 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.148 -0.042 6.419 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.053 -1.376 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.438 -2.192 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.560 -2.720 4.421 1.00 0.00 H new ATOM 607 N ILE A 35 -1.212 -0.155 7.299 1.00 0.00 N ATOM 608 CA ILE A 35 -1.853 -0.474 8.575 1.00 0.00 C ATOM 609 C ILE A 35 -2.882 -1.589 8.420 1.00 0.00 C ATOM 610 O ILE A 35 -2.783 -2.607 9.099 1.00 0.00 O ATOM 611 CB ILE A 35 -2.516 0.778 9.192 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.562 1.970 9.389 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.203 0.427 10.521 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.328 1.642 10.229 1.00 0.00 C ATOM 0 H ILE A 35 -1.162 0.845 7.105 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.071 -0.823 9.250 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.257 1.103 8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.239 2.330 8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.108 2.785 9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.664 1.322 10.940 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.969 -0.328 10.346 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.464 0.038 11.221 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.295 2.531 10.323 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.640 1.311 11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.242 0.849 9.744 1.00 0.00 H new ATOM 626 N HIS A 36 -3.866 -1.400 7.537 1.00 0.00 N ATOM 627 CA HIS A 36 -4.949 -2.355 7.383 1.00 0.00 C ATOM 628 C HIS A 36 -4.422 -3.676 6.831 1.00 0.00 C ATOM 629 O HIS A 36 -4.778 -4.724 7.360 1.00 0.00 O ATOM 630 CB HIS A 36 -6.084 -1.760 6.548 1.00 0.00 C ATOM 631 CG HIS A 36 -6.995 -0.893 7.382 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.334 -1.238 7.567 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.718 0.226 8.126 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.815 -0.313 8.402 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.887 0.587 8.766 1.00 0.00 N ATOM 0 H HIS A 36 -3.928 -0.590 6.920 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.375 -2.576 8.362 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.665 -1.170 5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.662 -2.565 6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.765 0.730 8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.838 -0.291 8.747 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.020 1.381 9.392 1.00 0.00 H new ATOM 643 N ALA A 37 -3.551 -3.635 5.816 1.00 0.00 N ATOM 644 CA ALA A 37 -2.908 -4.827 5.282 1.00 0.00 C ATOM 645 C ALA A 37 -2.266 -5.648 6.406 1.00 0.00 C ATOM 646 O ALA A 37 -2.689 -6.767 6.687 1.00 0.00 O ATOM 647 CB ALA A 37 -1.871 -4.423 4.228 1.00 0.00 C ATOM 0 H ALA A 37 -3.277 -2.772 5.346 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.661 -5.456 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.390 -5.316 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.365 -3.885 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.119 -3.780 4.685 1.00 0.00 H new ATOM 653 N ILE A 38 -1.251 -5.066 7.049 1.00 0.00 N ATOM 654 CA ILE A 38 -0.471 -5.656 8.129 1.00 0.00 C ATOM 655 C ILE A 38 -1.375 -6.191 9.245 1.00 0.00 C ATOM 656 O ILE A 38 -1.177 -7.316 9.702 1.00 0.00 O ATOM 657 CB ILE A 38 0.555 -4.603 8.610 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.869 -4.722 7.807 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.878 -4.684 10.108 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.712 -4.555 6.290 1.00 0.00 C ATOM 0 H ILE A 38 -0.939 -4.123 6.816 1.00 0.00 H new ATOM 0 HA ILE A 38 0.077 -6.530 7.776 1.00 0.00 H new ATOM 0 HB ILE A 38 0.081 -3.637 8.437 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.570 -3.971 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.314 -5.697 8.007 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.604 -3.913 10.366 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.034 -4.531 10.686 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.293 -5.665 10.338 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.686 -4.654 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.039 -5.322 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.299 -3.570 6.073 1.00 0.00 H new ATOM 672 N ARG A 39 -2.374 -5.405 9.667 1.00 0.00 N ATOM 673 CA ARG A 39 -3.319 -5.795 10.698 1.00 0.00 C ATOM 674 C ARG A 39 -4.128 -7.025 10.280 1.00 0.00 C ATOM 675 O ARG A 39 -4.295 -7.948 11.076 1.00 0.00 O ATOM 676 CB ARG A 39 -4.177 -4.574 11.051 1.00 0.00 C ATOM 677 CG ARG A 39 -4.908 -4.695 12.385 1.00 0.00 C ATOM 678 CD ARG A 39 -6.259 -5.411 12.293 1.00 0.00 C ATOM 679 NE ARG A 39 -6.913 -5.455 13.607 1.00 0.00 N ATOM 680 CZ ARG A 39 -8.034 -6.139 13.890 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.691 -6.808 12.931 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.500 -6.154 15.146 1.00 0.00 N ATOM 0 H ARG A 39 -2.543 -4.472 9.292 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.795 -6.108 11.601 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.540 -3.690 11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.910 -4.416 10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.272 -5.231 13.089 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.065 -3.697 12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.901 -4.896 11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.114 -6.425 11.919 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.482 -4.925 14.364 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.341 -6.801 11.973 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.541 -7.323 13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.004 -5.648 15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.351 -6.671 15.368 1.00 0.00 H new ATOM 696 N LEU A 40 -4.603 -7.061 9.033 1.00 0.00 N ATOM 697 CA LEU A 40 -5.418 -8.148 8.508 1.00 0.00 C ATOM 698 C LEU A 40 -4.573 -9.259 7.861 1.00 0.00 C ATOM 699 O LEU A 40 -5.121 -10.092 7.140 1.00 0.00 O ATOM 700 CB LEU A 40 -6.461 -7.560 7.550 1.00 0.00 C ATOM 701 CG LEU A 40 -7.345 -6.504 8.241 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.202 -5.820 7.179 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.242 -7.103 9.331 1.00 0.00 C ATOM 0 H LEU A 40 -4.427 -6.322 8.352 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.934 -8.639 9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.956 -7.108 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.089 -8.361 7.161 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.691 -5.787 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.835 -5.068 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.556 -5.341 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.828 -6.562 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.842 -6.313 9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.900 -7.851 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.622 -7.571 10.096 1.00 0.00 H new ATOM 715 N GLY A 41 -3.259 -9.302 8.138 1.00 0.00 N ATOM 716 CA GLY A 41 -2.362 -10.366 7.705 1.00 0.00 C ATOM 717 C GLY A 41 -2.309 -10.504 6.184 1.00 0.00 C ATOM 718 O GLY A 41 -2.610 -11.570 5.650 1.00 0.00 O ATOM 0 H GLY A 41 -2.789 -8.578 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.359 -10.168 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.687 -11.311 8.141 1.00 0.00 H new ATOM 722 N ILE A 42 -1.928 -9.420 5.497 1.00 0.00 N ATOM 723 CA ILE A 42 -1.950 -9.302 4.046 1.00 0.00 C ATOM 724 C ILE A 42 -0.523 -9.177 3.512 1.00 0.00 C ATOM 725 O ILE A 42 0.303 -8.463 4.081 1.00 0.00 O ATOM 726 CB ILE A 42 -2.802 -8.080 3.667 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.260 -8.222 4.129 1.00 0.00 C ATOM 728 CG2 ILE A 42 -2.744 -7.677 2.191 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.042 -9.350 3.460 1.00 0.00 C ATOM 0 H ILE A 42 -1.586 -8.577 5.957 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.391 -10.192 3.598 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.334 -7.261 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.270 -8.383 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.778 -7.281 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.378 -6.806 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.716 -7.434 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.096 -8.504 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.059 -9.370 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.071 -9.184 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.555 -10.303 3.667 1.00 0.00 H new ATOM 741 N LYS A 43 -0.266 -9.864 2.394 1.00 0.00 N ATOM 742 CA LYS A 43 0.950 -9.748 1.595 1.00 0.00 C ATOM 743 C LYS A 43 0.637 -8.892 0.370 1.00 0.00 C ATOM 744 O LYS A 43 -0.515 -8.527 0.167 1.00 0.00 O ATOM 745 CB LYS A 43 1.425 -11.136 1.159 1.00 0.00 C ATOM 746 CG LYS A 43 1.708 -12.040 2.363 1.00 0.00 C ATOM 747 CD LYS A 43 2.268 -13.381 1.879 1.00 0.00 C ATOM 748 CE LYS A 43 2.755 -14.254 3.041 1.00 0.00 C ATOM 749 NZ LYS A 43 3.981 -13.719 3.605 1.00 0.00 N ATOM 0 H LYS A 43 -0.926 -10.540 2.010 1.00 0.00 H new ATOM 0 HA LYS A 43 1.742 -9.284 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.667 -11.598 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.328 -11.039 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.420 -11.558 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.793 -12.201 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.498 -13.915 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.093 -13.202 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.986 -14.305 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.924 -15.273 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.721 -14.450 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.290 -12.897 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.812 -13.426 4.588 1.00 0.00 H new ATOM 762 N GLY A 44 1.640 -8.574 -0.452 1.00 0.00 N ATOM 763 CA GLY A 44 1.438 -7.824 -1.685 1.00 0.00 C ATOM 764 C GLY A 44 2.463 -6.712 -1.814 1.00 0.00 C ATOM 765 O GLY A 44 3.623 -6.909 -1.456 1.00 0.00 O ATOM 0 H GLY A 44 2.612 -8.831 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.513 -8.495 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.433 -7.402 -1.699 1.00 0.00 H new ATOM 769 N TYR A 45 2.032 -5.539 -2.304 1.00 0.00 N ATOM 770 CA TYR A 45 2.890 -4.368 -2.391 1.00 0.00 C ATOM 771 C TYR A 45 2.089 -3.118 -2.773 1.00 0.00 C ATOM 772 O TYR A 45 1.086 -3.221 -3.480 1.00 0.00 O ATOM 773 CB TYR A 45 4.006 -4.606 -3.415 1.00 0.00 C ATOM 774 CG TYR A 45 5.281 -3.858 -3.120 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.431 -2.537 -3.570 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.278 -4.446 -2.318 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.543 -1.787 -3.171 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.420 -3.708 -1.965 1.00 0.00 C ATOM 779 CZ TYR A 45 7.538 -2.365 -2.363 1.00 0.00 C ATOM 780 OH TYR A 45 8.617 -1.629 -1.970 1.00 0.00 O ATOM 0 H TYR A 45 1.084 -5.386 -2.647 1.00 0.00 H new ATOM 0 HA TYR A 45 3.331 -4.202 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.225 -5.673 -3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.647 -4.315 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.690 -2.100 -4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.165 -5.464 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.637 -0.758 -3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.207 -4.172 -1.388 1.00 0.00 H new ATOM 0 HH TYR A 45 9.206 -2.182 -1.416 1.00 0.00 H new ATOM 790 N ALA A 46 2.554 -1.945 -2.320 1.00 0.00 N ATOM 791 CA ALA A 46 1.967 -0.640 -2.597 1.00 0.00 C ATOM 792 C ALA A 46 2.929 0.161 -3.474 1.00 0.00 C ATOM 793 O ALA A 46 3.769 0.904 -2.972 1.00 0.00 O ATOM 794 CB ALA A 46 1.676 0.084 -1.279 1.00 0.00 C ATOM 0 H ALA A 46 3.382 -1.885 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 46 1.024 -0.754 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.237 1.059 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.979 -0.507 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.605 0.216 -0.724 1.00 0.00 H new ATOM 800 N LYS A 47 2.825 -0.028 -4.790 1.00 0.00 N ATOM 801 CA LYS A 47 3.770 0.484 -5.766 1.00 0.00 C ATOM 802 C LYS A 47 3.262 1.832 -6.268 1.00 0.00 C ATOM 803 O LYS A 47 2.270 1.902 -6.990 1.00 0.00 O ATOM 804 CB LYS A 47 3.904 -0.556 -6.885 1.00 0.00 C ATOM 805 CG LYS A 47 4.597 -0.066 -8.163 1.00 0.00 C ATOM 806 CD LYS A 47 4.682 -1.161 -9.236 1.00 0.00 C ATOM 807 CE LYS A 47 5.694 -2.254 -8.867 1.00 0.00 C ATOM 808 NZ LYS A 47 5.771 -3.243 -9.926 1.00 0.00 N ATOM 0 H LYS A 47 2.060 -0.555 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 47 4.760 0.647 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.457 -1.411 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.908 -0.913 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.054 0.790 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.602 0.280 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.698 -1.610 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.964 -0.713 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.676 -1.810 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.399 -2.733 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.459 -3.978 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.836 -3.677 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.073 -2.784 -10.809 1.00 0.00 H new ATOM 821 N ASN A 48 3.951 2.899 -5.864 1.00 0.00 N ATOM 822 CA ASN A 48 3.629 4.274 -6.192 1.00 0.00 C ATOM 823 C ASN A 48 4.342 4.678 -7.483 1.00 0.00 C ATOM 824 O ASN A 48 5.475 5.153 -7.437 1.00 0.00 O ATOM 825 CB ASN A 48 4.048 5.152 -5.005 1.00 0.00 C ATOM 826 CG ASN A 48 3.601 6.605 -5.136 1.00 0.00 C ATOM 827 OD1 ASN A 48 2.676 7.034 -4.448 1.00 0.00 O ATOM 828 ND2 ASN A 48 4.274 7.374 -5.995 1.00 0.00 N ATOM 0 H ASN A 48 4.781 2.818 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 48 2.560 4.399 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.632 4.733 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.133 5.121 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.027 8.358 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.035 6.977 -6.546 1.00 0.00 H new ATOM 835 N LEU A 49 3.669 4.524 -8.631 1.00 0.00 N ATOM 836 CA LEU A 49 4.111 5.064 -9.902 1.00 0.00 C ATOM 837 C LEU A 49 3.786 6.560 -9.862 1.00 0.00 C ATOM 838 O LEU A 49 2.608 6.892 -9.766 1.00 0.00 O ATOM 839 CB LEU A 49 3.365 4.381 -11.056 1.00 0.00 C ATOM 840 CG LEU A 49 3.408 2.842 -11.009 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.095 2.276 -10.452 1.00 0.00 C ATOM 842 CD2 LEU A 49 3.614 2.272 -12.418 1.00 0.00 C ATOM 0 H LEU A 49 2.790 4.011 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 49 5.176 4.895 -10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.324 4.705 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.793 4.717 -12.000 1.00 0.00 H new ATOM 0 HG LEU A 49 4.236 2.556 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.149 1.188 -10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.936 2.653 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.266 2.584 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.642 1.183 -12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.792 2.585 -13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.555 2.642 -12.826 1.00 0.00 H new ATOM 854 N PRO A 50 4.778 7.467 -9.856 1.00 0.00 N ATOM 855 CA PRO A 50 4.592 8.857 -9.452 1.00 0.00 C ATOM 856 C PRO A 50 3.897 9.689 -10.539 1.00 0.00 C ATOM 857 O PRO A 50 4.514 10.534 -11.184 1.00 0.00 O ATOM 858 CB PRO A 50 6.002 9.354 -9.112 1.00 0.00 C ATOM 859 CG PRO A 50 6.887 8.540 -10.054 1.00 0.00 C ATOM 860 CD PRO A 50 6.187 7.182 -10.062 1.00 0.00 C ATOM 0 HA PRO A 50 3.925 8.954 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.106 10.425 -9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.252 9.175 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.934 8.980 -11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.912 8.468 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.348 6.664 -11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.575 6.536 -9.274 1.00 0.00 H new ATOM 868 N ASP A 51 2.590 9.453 -10.712 1.00 0.00 N ATOM 869 CA ASP A 51 1.716 10.143 -11.649 1.00 0.00 C ATOM 870 C ASP A 51 0.265 9.830 -11.262 1.00 0.00 C ATOM 871 O ASP A 51 -0.503 9.305 -12.067 1.00 0.00 O ATOM 872 CB ASP A 51 2.052 9.704 -13.086 1.00 0.00 C ATOM 873 CG ASP A 51 1.203 10.407 -14.145 1.00 0.00 C ATOM 874 OD1 ASP A 51 0.842 11.568 -13.969 1.00 0.00 O ATOM 875 OD2 ASP A 51 0.895 9.662 -15.245 1.00 0.00 O ATOM 0 H ASP A 51 2.097 8.741 -10.173 1.00 0.00 H new ATOM 0 HA ASP A 51 1.858 11.223 -11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.105 9.904 -13.283 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.910 8.627 -13.172 1.00 0.00 H new ATOM 881 N GLY A 52 -0.102 10.121 -10.004 1.00 0.00 N ATOM 882 CA GLY A 52 -1.458 9.972 -9.483 1.00 0.00 C ATOM 883 C GLY A 52 -1.845 8.527 -9.151 1.00 0.00 C ATOM 884 O GLY A 52 -2.534 8.280 -8.163 1.00 0.00 O ATOM 0 H GLY A 52 0.556 10.474 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.559 10.580 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.163 10.366 -10.215 1.00 0.00 H new ATOM 888 N SER A 53 -1.444 7.586 -10.011 1.00 0.00 N ATOM 889 CA SER A 53 -1.869 6.201 -9.998 1.00 0.00 C ATOM 890 C SER A 53 -0.927 5.349 -9.149 1.00 0.00 C ATOM 891 O SER A 53 0.072 4.833 -9.648 1.00 0.00 O ATOM 892 CB SER A 53 -1.966 5.699 -11.445 1.00 0.00 C ATOM 893 OG SER A 53 -0.787 5.974 -12.179 1.00 0.00 O ATOM 0 H SER A 53 -0.786 7.787 -10.764 1.00 0.00 H new ATOM 0 HA SER A 53 -2.853 6.118 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.151 4.625 -11.445 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.818 6.170 -11.936 1.00 0.00 H new ATOM 0 HG SER A 53 -0.004 5.714 -11.650 1.00 0.00 H new ATOM 899 N VAL A 54 -1.266 5.175 -7.867 1.00 0.00 N ATOM 900 CA VAL A 54 -0.593 4.226 -6.992 1.00 0.00 C ATOM 901 C VAL A 54 -1.290 2.872 -7.123 1.00 0.00 C ATOM 902 O VAL A 54 -2.486 2.747 -6.868 1.00 0.00 O ATOM 903 CB VAL A 54 -0.484 4.741 -5.543 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.767 5.362 -4.982 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.017 3.631 -4.591 1.00 0.00 C ATOM 0 H VAL A 54 -2.018 5.693 -7.412 1.00 0.00 H new ATOM 0 HA VAL A 54 0.445 4.103 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 54 0.256 5.539 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.593 5.695 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.057 6.214 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.565 4.619 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.050 4.026 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.731 2.808 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.962 3.270 -4.905 1.00 0.00 H new ATOM 915 N GLU A 55 -0.525 1.865 -7.554 1.00 0.00 N ATOM 916 CA GLU A 55 -0.997 0.518 -7.805 1.00 0.00 C ATOM 917 C GLU A 55 -0.821 -0.315 -6.537 1.00 0.00 C ATOM 918 O GLU A 55 0.279 -0.396 -5.994 1.00 0.00 O ATOM 919 CB GLU A 55 -0.200 -0.055 -8.984 1.00 0.00 C ATOM 920 CG GLU A 55 -0.685 -1.443 -9.431 1.00 0.00 C ATOM 921 CD GLU A 55 0.316 -2.559 -9.131 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.562 -3.391 -10.000 1.00 0.00 O ATOM 923 OE2 GLU A 55 0.875 -2.561 -7.889 1.00 0.00 O ATOM 0 H GLU A 55 0.471 1.978 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.056 0.506 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.266 0.634 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.852 -0.118 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.629 -1.668 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.886 -1.423 -10.502 1.00 0.00 H new ATOM 931 N VAL A 56 -1.911 -0.937 -6.082 1.00 0.00 N ATOM 932 CA VAL A 56 -1.925 -1.877 -4.972 1.00 0.00 C ATOM 933 C VAL A 56 -2.064 -3.285 -5.551 1.00 0.00 C ATOM 934 O VAL A 56 -2.885 -3.504 -6.440 1.00 0.00 O ATOM 935 CB VAL A 56 -3.086 -1.517 -4.026 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.370 -2.616 -2.996 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.766 -0.208 -3.292 1.00 0.00 C ATOM 0 H VAL A 56 -2.834 -0.792 -6.492 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.004 -1.832 -4.390 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.978 -1.405 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.197 -2.310 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.633 -3.539 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.482 -2.782 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.589 0.045 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.851 -0.330 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.630 0.593 -4.019 1.00 0.00 H new ATOM 947 N VAL A 57 -1.270 -4.237 -5.047 1.00 0.00 N ATOM 948 CA VAL A 57 -1.409 -5.660 -5.342 1.00 0.00 C ATOM 949 C VAL A 57 -1.399 -6.441 -4.033 1.00 0.00 C ATOM 950 O VAL A 57 -0.615 -7.368 -3.853 1.00 0.00 O ATOM 951 CB VAL A 57 -0.341 -6.142 -6.345 1.00 0.00 C ATOM 952 CG1 VAL A 57 -0.711 -5.708 -7.766 1.00 0.00 C ATOM 953 CG2 VAL A 57 1.070 -5.652 -5.987 1.00 0.00 C ATOM 0 H VAL A 57 -0.499 -4.031 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.364 -5.840 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.323 -7.231 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.052 -6.055 -8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.674 -6.139 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.774 -4.621 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.782 -6.021 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.086 -4.562 -5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.345 -6.025 -5.001 1.00 0.00 H new ATOM 963 N ALA A 58 -2.319 -6.063 -3.139 1.00 0.00 N ATOM 964 CA ALA A 58 -2.570 -6.718 -1.864 1.00 0.00 C ATOM 965 C ALA A 58 -3.120 -8.126 -2.094 1.00 0.00 C ATOM 966 O ALA A 58 -3.623 -8.413 -3.177 1.00 0.00 O ATOM 967 CB ALA A 58 -3.549 -5.867 -1.055 1.00 0.00 C ATOM 0 H ALA A 58 -2.929 -5.261 -3.296 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.639 -6.815 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.744 -6.349 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.118 -4.880 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.484 -5.764 -1.607 1.00 0.00 H new ATOM 973 N GLU A 59 -2.975 -9.013 -1.102 1.00 0.00 N ATOM 974 CA GLU A 59 -3.320 -10.417 -1.260 1.00 0.00 C ATOM 975 C GLU A 59 -3.912 -10.972 0.033 1.00 0.00 C ATOM 976 O GLU A 59 -3.233 -10.941 1.059 1.00 0.00 O ATOM 977 CB GLU A 59 -2.053 -11.224 -1.595 1.00 0.00 C ATOM 978 CG GLU A 59 -1.275 -10.674 -2.795 1.00 0.00 C ATOM 979 CD GLU A 59 -0.134 -11.607 -3.188 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.946 -11.526 -2.606 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.412 -12.491 -4.187 1.00 0.00 O ATOM 0 H GLU A 59 -2.618 -8.773 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.052 -10.501 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.399 -11.236 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.334 -12.258 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.950 -10.545 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.876 -9.689 -2.552 1.00 0.00 H new ATOM 989 N GLY A 60 -5.131 -11.524 0.004 1.00 0.00 N ATOM 990 CA GLY A 60 -5.648 -12.180 1.195 1.00 0.00 C ATOM 991 C GLY A 60 -6.963 -12.907 0.971 1.00 0.00 C ATOM 992 O GLY A 60 -7.627 -12.718 -0.045 1.00 0.00 O ATOM 0 H GLY A 60 -5.754 -11.528 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.907 -12.892 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.784 -11.435 1.979 1.00 0.00 H new ATOM 996 N TYR A 61 -7.323 -13.742 1.951 1.00 0.00 N ATOM 997 CA TYR A 61 -8.562 -14.497 2.007 1.00 0.00 C ATOM 998 C TYR A 61 -9.776 -13.589 1.815 1.00 0.00 C ATOM 999 O TYR A 61 -9.718 -12.396 2.103 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.641 -15.166 3.383 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.862 -16.456 3.523 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -6.534 -16.437 3.989 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -8.496 -17.685 3.266 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -5.837 -17.644 4.174 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -7.791 -18.889 3.431 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.463 -18.869 3.887 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.786 -20.041 4.051 1.00 0.00 O ATOM 0 H TYR A 61 -6.726 -13.912 2.760 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.570 -15.236 1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.281 -14.461 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.688 -15.367 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.051 -15.496 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.526 -17.703 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.820 -17.630 4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.271 -19.830 3.207 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.368 -20.791 3.808 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.890 -14.174 1.363 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.126 -13.442 1.120 1.00 0.00 C ATOM 1019 C GLU A 62 -12.923 -13.142 2.389 1.00 0.00 C ATOM 1020 O GLU A 62 -13.786 -12.268 2.364 1.00 0.00 O ATOM 1021 CB GLU A 62 -12.965 -14.122 0.042 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.432 -15.526 0.445 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.213 -16.194 -0.682 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -15.407 -16.444 -0.526 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -13.506 -16.475 -1.814 1.00 0.00 O ATOM 0 H GLU A 62 -10.955 -15.171 1.157 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.835 -12.462 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.836 -13.504 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.382 -14.188 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.569 -16.138 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.057 -15.462 1.336 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.610 -13.809 3.507 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.127 -13.433 4.808 1.00 0.00 C ATOM 1035 C GLU A 63 -12.555 -12.071 5.225 1.00 0.00 C ATOM 1036 O GLU A 63 -13.263 -11.276 5.839 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.772 -14.520 5.827 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.414 -15.867 5.473 1.00 0.00 C ATOM 1039 CD GLU A 63 -13.179 -16.894 6.577 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -12.289 -17.730 6.446 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -14.000 -16.800 7.663 1.00 0.00 O ATOM 0 H GLU A 63 -11.992 -14.621 3.524 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.212 -13.341 4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.689 -14.635 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.102 -14.210 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.485 -15.734 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.999 -16.236 4.535 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.286 -11.805 4.880 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.582 -10.570 5.199 1.00 0.00 C ATOM 1051 C ALA A 64 -10.523 -9.600 4.014 1.00 0.00 C ATOM 1052 O ALA A 64 -10.017 -8.490 4.182 1.00 0.00 O ATOM 1053 CB ALA A 64 -9.169 -10.922 5.671 1.00 0.00 C ATOM 0 H ALA A 64 -10.712 -12.466 4.357 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.133 -10.057 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.628 -10.007 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.228 -11.555 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.643 -11.455 4.879 1.00 0.00 H new ATOM 1059 N LEU A 65 -11.029 -9.979 2.830 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.993 -9.097 1.673 1.00 0.00 C ATOM 1061 C LEU A 65 -11.900 -7.896 1.924 1.00 0.00 C ATOM 1062 O LEU A 65 -11.412 -6.772 1.980 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.349 -9.861 0.401 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.266 -8.988 -0.850 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.837 -8.531 -1.156 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.769 -9.809 -2.030 1.00 0.00 C ATOM 0 H LEU A 65 -11.463 -10.886 2.658 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.982 -8.718 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.676 -10.711 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.358 -10.263 0.493 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.869 -8.096 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.837 -7.914 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.453 -7.950 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.202 -9.403 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.720 -9.208 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.146 -10.696 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.801 -10.111 -1.850 1.00 0.00 H new ATOM 1078 N SER A 66 -13.201 -8.143 2.114 1.00 0.00 N ATOM 1079 CA SER A 66 -14.209 -7.137 2.428 1.00 0.00 C ATOM 1080 C SER A 66 -13.749 -6.149 3.502 1.00 0.00 C ATOM 1081 O SER A 66 -13.983 -4.952 3.363 1.00 0.00 O ATOM 1082 CB SER A 66 -15.489 -7.843 2.876 1.00 0.00 C ATOM 1083 OG SER A 66 -15.865 -8.820 1.926 1.00 0.00 O ATOM 0 H SER A 66 -13.590 -9.084 2.050 1.00 0.00 H new ATOM 0 HA SER A 66 -14.388 -6.552 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.334 -8.311 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.291 -7.115 2.997 1.00 0.00 H new ATOM 0 HG SER A 66 -16.685 -9.267 2.224 1.00 0.00 H new ATOM 1089 N LYS A 67 -13.086 -6.647 4.553 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.588 -5.853 5.671 1.00 0.00 C ATOM 1091 C LYS A 67 -11.568 -4.813 5.197 1.00 0.00 C ATOM 1092 O LYS A 67 -11.698 -3.634 5.522 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.985 -6.779 6.738 1.00 0.00 C ATOM 1094 CG LYS A 67 -13.022 -7.304 7.741 1.00 0.00 C ATOM 1095 CD LYS A 67 -14.170 -8.070 7.078 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.978 -8.824 8.140 1.00 0.00 C ATOM 1097 NZ LYS A 67 -16.040 -9.585 7.511 1.00 0.00 N ATOM 0 H LYS A 67 -12.878 -7.641 4.647 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.422 -5.309 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.505 -7.625 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.207 -6.241 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.525 -7.957 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.431 -6.465 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.817 -7.378 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.774 -8.772 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.323 -9.492 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.400 -8.119 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.582 -10.092 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.672 -8.939 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.629 -10.270 6.845 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.565 -5.238 4.421 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.576 -4.331 3.846 1.00 0.00 C ATOM 1112 C LEU A 68 -10.189 -3.472 2.735 1.00 0.00 C ATOM 1113 O LEU A 68 -9.737 -2.354 2.499 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.371 -5.129 3.326 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.447 -4.320 2.398 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.902 -3.021 3.010 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.258 -5.188 1.994 1.00 0.00 C ATOM 0 H LEU A 68 -10.420 -6.218 4.177 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.234 -3.653 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.792 -5.490 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.732 -6.007 2.790 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.064 -4.033 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.262 -2.518 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.733 -2.367 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.324 -3.255 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.600 -4.620 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.708 -5.490 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.616 -6.075 1.471 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.194 -3.977 2.020 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.739 -3.249 0.895 1.00 0.00 C ATOM 1131 C LEU A 69 -12.590 -2.077 1.377 1.00 0.00 C ATOM 1132 O LEU A 69 -12.288 -0.938 1.032 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.518 -4.197 -0.032 1.00 0.00 C ATOM 1134 CG LEU A 69 -11.730 -4.611 -1.284 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -11.674 -3.493 -2.332 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.313 -5.077 -0.951 1.00 0.00 C ATOM 0 H LEU A 69 -11.637 -4.877 2.203 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.920 -2.830 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.796 -5.091 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.445 -3.712 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.277 -5.453 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.106 -3.834 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.686 -3.233 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.189 -2.616 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.797 -5.359 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.769 -4.268 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.360 -5.937 -0.283 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.638 -2.342 2.168 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.597 -1.336 2.617 1.00 0.00 C ATOM 1150 C GLU A 70 -13.917 -0.160 3.320 1.00 0.00 C ATOM 1151 O GLU A 70 -14.295 0.982 3.087 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.687 -1.995 3.475 1.00 0.00 C ATOM 1153 CG GLU A 70 -15.210 -2.410 4.875 1.00 0.00 C ATOM 1154 CD GLU A 70 -16.231 -3.320 5.551 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.982 -4.514 5.695 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -17.386 -2.716 5.952 1.00 0.00 O ATOM 0 H GLU A 70 -13.843 -3.278 2.517 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.080 -0.905 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.523 -1.303 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.063 -2.875 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.252 -2.925 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.047 -1.522 5.486 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.882 -0.449 4.121 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.892 0.494 4.640 1.00 0.00 C ATOM 1166 C ARG A 71 -11.643 1.665 3.689 1.00 0.00 C ATOM 1167 O ARG A 71 -11.697 2.814 4.115 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.614 -0.298 4.958 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.268 0.388 4.684 1.00 0.00 C ATOM 1170 CD ARG A 71 -9.077 1.692 5.465 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.952 2.869 4.589 1.00 0.00 N ATOM 1172 CZ ARG A 71 -8.000 3.091 3.667 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -7.003 2.222 3.468 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -8.067 4.199 2.916 1.00 0.00 N ATOM 0 H ARG A 71 -12.707 -1.402 4.440 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.268 0.960 5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.643 -0.573 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.642 -1.225 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.461 -0.299 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.186 0.597 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.922 1.834 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.185 1.611 6.086 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.663 3.592 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.953 1.367 4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.293 2.414 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.833 4.859 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.352 4.382 2.212 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.346 1.381 2.419 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.881 2.388 1.474 1.00 0.00 C ATOM 1190 C ILE A 72 -12.028 3.323 1.081 1.00 0.00 C ATOM 1191 O ILE A 72 -12.042 4.476 1.507 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.145 1.755 0.277 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.103 0.700 0.699 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.421 2.857 -0.510 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.925 -0.336 -0.414 1.00 0.00 C ATOM 0 H ILE A 72 -11.422 0.445 2.021 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.132 3.011 1.962 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.900 1.254 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.150 1.184 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.423 0.208 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.898 2.415 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.148 3.584 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.702 3.355 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.187 -1.077 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.877 -0.830 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.584 0.161 -1.322 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.980 2.836 0.277 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.153 3.589 -0.148 1.00 0.00 C ATOM 1209 C LYS A 73 -14.867 4.248 1.035 1.00 0.00 C ATOM 1210 O LYS A 73 -15.141 5.445 0.999 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.117 2.728 -0.989 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.318 1.247 -0.609 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.275 0.328 -1.270 1.00 0.00 C ATOM 1214 CE LYS A 73 -14.662 -1.149 -1.365 1.00 0.00 C ATOM 1215 NZ LYS A 73 -15.803 -1.349 -2.238 1.00 0.00 N ATOM 0 H LYS A 73 -12.951 1.889 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.796 4.391 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.095 3.210 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.771 2.759 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.258 1.141 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.318 0.930 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.076 0.698 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.342 0.406 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.814 -1.724 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.894 -1.529 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.891 -2.359 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.668 -1.026 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.669 -0.805 -3.114 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.142 3.468 2.085 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.814 3.923 3.299 1.00 0.00 C ATOM 1230 C GLN A 74 -14.816 4.451 4.346 1.00 0.00 C ATOM 1231 O GLN A 74 -15.084 4.381 5.545 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.678 2.773 3.850 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.894 3.275 4.637 1.00 0.00 C ATOM 1234 CD GLN A 74 -18.678 2.106 5.228 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -19.736 1.742 4.721 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -18.158 1.515 6.305 1.00 0.00 N ATOM 0 H GLN A 74 -14.896 2.478 2.112 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.460 4.767 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.017 2.150 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.067 2.142 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.566 3.940 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.541 3.859 3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.276 1.849 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.642 0.729 6.739 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.673 4.997 3.912 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.686 5.606 4.794 1.00 0.00 C ATOM 1247 C GLY A 75 -11.479 6.074 3.977 1.00 0.00 C ATOM 1248 O GLY A 75 -10.404 5.483 4.082 1.00 0.00 O ATOM 0 H GLY A 75 -13.411 5.025 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.129 6.451 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.369 4.888 5.550 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.650 7.110 3.139 1.00 0.00 N ATOM 1253 CA PRO A 76 -10.641 7.569 2.194 1.00 0.00 C ATOM 1254 C PRO A 76 -9.514 8.332 2.900 1.00 0.00 C ATOM 1255 O PRO A 76 -9.672 8.741 4.050 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.405 8.479 1.225 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.508 9.064 2.103 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.879 7.875 2.982 1.00 0.00 C ATOM 0 HA PRO A 76 -10.153 6.739 1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.764 9.257 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.813 7.920 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.155 9.911 2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.355 9.416 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.262 8.205 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.660 7.272 2.518 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.374 8.545 2.221 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.276 9.355 2.728 1.00 0.00 C ATOM 1268 C PRO A 77 -7.614 10.847 2.643 1.00 0.00 C ATOM 1269 O PRO A 77 -8.698 11.225 2.198 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.089 9.000 1.833 1.00 0.00 C ATOM 1271 CG PRO A 77 -6.757 8.717 0.488 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.060 8.032 0.895 1.00 0.00 C ATOM 0 HA PRO A 77 -7.065 9.158 3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.373 9.819 1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.546 8.132 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.940 9.633 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.142 8.074 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.859 8.257 0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.945 6.948 0.911 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.669 11.702 3.052 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.845 13.147 3.111 1.00 0.00 C ATOM 1282 C ALA A 78 -6.554 13.824 1.763 1.00 0.00 C ATOM 1283 O ALA A 78 -6.152 14.986 1.741 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.958 13.704 4.230 1.00 0.00 C ATOM 0 H ALA A 78 -5.744 11.397 3.356 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.889 13.368 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.079 14.786 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.248 13.257 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.915 13.466 4.020 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.767 13.115 0.646 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.597 13.627 -0.707 1.00 0.00 C ATOM 1292 C ALA A 79 -7.823 13.296 -1.558 1.00 0.00 C ATOM 1293 O ALA A 79 -8.646 12.462 -1.183 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.353 13.031 -1.359 1.00 0.00 C ATOM 0 H ALA A 79 -7.071 12.142 0.667 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.480 14.709 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.246 13.427 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.473 13.293 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.450 11.946 -1.404 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.908 13.939 -2.728 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.961 13.719 -3.707 1.00 0.00 C ATOM 1302 C GLU A 80 -8.719 12.404 -4.452 1.00 0.00 C ATOM 1303 O GLU A 80 -8.183 12.398 -5.558 1.00 0.00 O ATOM 1304 CB GLU A 80 -9.035 14.915 -4.668 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.412 16.208 -3.933 1.00 0.00 C ATOM 1306 CD GLU A 80 -9.515 17.386 -4.898 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -8.490 17.850 -5.391 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -10.773 17.854 -5.143 1.00 0.00 O ATOM 0 H GLU A 80 -7.228 14.641 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.923 13.637 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.073 15.045 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.769 14.711 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.364 16.072 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.665 16.425 -3.169 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.130 11.296 -3.822 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.114 9.949 -4.379 1.00 0.00 C ATOM 1318 C VAL A 81 -10.072 9.847 -5.573 1.00 0.00 C ATOM 1319 O VAL A 81 -11.218 9.426 -5.433 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.347 8.922 -3.248 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.663 9.079 -2.474 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.202 7.480 -3.750 1.00 0.00 C ATOM 0 H VAL A 81 -9.497 11.321 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.136 9.709 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.557 9.146 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.727 8.310 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.695 10.063 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.503 8.976 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.373 6.789 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.933 7.294 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.197 7.332 -4.145 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.574 10.260 -6.748 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.255 10.261 -8.037 1.00 0.00 C ATOM 1334 C GLU A 82 -11.106 9.004 -8.221 1.00 0.00 C ATOM 1335 O GLU A 82 -12.326 9.115 -8.329 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.207 10.411 -9.149 1.00 0.00 C ATOM 1337 CG GLU A 82 -9.821 10.455 -10.553 1.00 0.00 C ATOM 1338 CD GLU A 82 -8.729 10.439 -11.619 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -8.496 9.399 -12.230 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -8.068 11.616 -11.814 1.00 0.00 O ATOM 0 H GLU A 82 -8.624 10.624 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.945 11.104 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.635 11.324 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.504 9.580 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.485 9.602 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.429 11.353 -10.662 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.473 7.823 -8.233 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.198 6.557 -8.267 1.00 0.00 C ATOM 1350 C LYS A 83 -10.291 5.377 -7.921 1.00 0.00 C ATOM 1351 O LYS A 83 -9.232 5.202 -8.518 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.917 6.337 -9.615 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.979 6.262 -10.829 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.738 6.014 -12.141 1.00 0.00 C ATOM 1355 CE LYS A 83 -12.574 7.205 -12.631 1.00 0.00 C ATOM 1356 NZ LYS A 83 -11.731 8.357 -12.893 1.00 0.00 N ATOM 0 H LYS A 83 -9.458 7.724 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.968 6.615 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.494 5.414 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.628 7.148 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.417 7.192 -10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.254 5.463 -10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.020 5.748 -12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.396 5.155 -12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.111 6.929 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.324 7.461 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.923 9.096 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.731 8.076 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.934 8.726 -13.844 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.727 4.536 -6.979 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.124 3.233 -6.761 1.00 0.00 C ATOM 1371 C VAL A 84 -10.833 2.205 -7.640 1.00 0.00 C ATOM 1372 O VAL A 84 -11.910 1.717 -7.300 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.062 2.868 -5.268 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.365 3.103 -4.494 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.584 1.419 -5.111 1.00 0.00 C ATOM 0 H VAL A 84 -11.505 4.745 -6.353 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.078 3.249 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.345 3.555 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.225 2.817 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.635 4.158 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.162 2.501 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.541 1.163 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.279 0.750 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.592 1.313 -5.551 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.213 1.873 -8.777 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.698 0.844 -9.676 1.00 0.00 C ATOM 1387 C ASP A 85 -10.155 -0.481 -9.157 1.00 0.00 C ATOM 1388 O ASP A 85 -9.135 -0.970 -9.645 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.244 1.150 -11.110 1.00 0.00 C ATOM 1390 CG ASP A 85 -10.633 0.025 -12.071 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -11.821 -0.216 -12.267 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -9.601 -0.654 -12.648 1.00 0.00 O ATOM 0 H ASP A 85 -9.353 2.321 -9.094 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.787 0.801 -9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.692 2.086 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.163 1.289 -11.129 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.817 -1.041 -8.137 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.388 -2.314 -7.591 1.00 0.00 C ATOM 1400 C TYR A 86 -10.780 -3.435 -8.552 1.00 0.00 C ATOM 1401 O TYR A 86 -11.832 -3.367 -9.188 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.875 -2.542 -6.157 1.00 0.00 C ATOM 1403 CG TYR A 86 -12.249 -3.167 -6.015 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.394 -2.353 -5.968 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -12.376 -4.563 -5.870 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.655 -2.924 -5.722 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -13.636 -5.134 -5.627 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.773 -4.312 -5.534 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.992 -4.860 -5.262 1.00 0.00 O ATOM 0 H TYR A 86 -11.636 -0.634 -7.686 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.301 -2.308 -7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.153 -3.179 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.878 -1.583 -5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.305 -1.288 -6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.503 -5.195 -5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.533 -2.296 -5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.731 -6.204 -5.512 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.899 -5.830 -5.161 1.00 0.00 H new ATOM 1419 N SER A 87 -9.917 -4.445 -8.683 1.00 0.00 N ATOM 1420 CA SER A 87 -10.061 -5.503 -9.665 1.00 0.00 C ATOM 1421 C SER A 87 -9.481 -6.801 -9.108 1.00 0.00 C ATOM 1422 O SER A 87 -8.335 -7.156 -9.372 1.00 0.00 O ATOM 1423 CB SER A 87 -9.386 -5.096 -10.976 1.00 0.00 C ATOM 1424 OG SER A 87 -9.942 -3.900 -11.485 1.00 0.00 O ATOM 0 H SER A 87 -9.088 -4.545 -8.097 1.00 0.00 H new ATOM 0 HA SER A 87 -11.117 -5.670 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.317 -4.963 -10.812 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.499 -5.894 -11.710 1.00 0.00 H new ATOM 0 HG SER A 87 -9.492 -3.661 -12.322 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.326 -7.510 -8.356 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.128 -8.872 -7.876 1.00 0.00 C ATOM 1432 C PHE A 88 -9.525 -9.762 -8.975 1.00 0.00 C ATOM 1433 O PHE A 88 -9.893 -9.631 -10.144 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.497 -9.381 -7.392 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.680 -10.887 -7.301 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.977 -11.627 -8.463 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -11.704 -11.526 -6.048 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -12.239 -13.003 -8.380 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.022 -12.894 -5.961 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.263 -13.638 -7.127 1.00 0.00 C ATOM 0 H PHE A 88 -11.218 -7.122 -8.050 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.414 -8.900 -7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.687 -8.956 -6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.261 -8.987 -8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.003 -11.132 -9.423 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.478 -10.966 -5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.422 -13.573 -9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.081 -13.373 -4.995 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.466 -14.697 -7.061 1.00 0.00 H new ATOM 1450 N SER A 89 -8.620 -10.676 -8.594 1.00 0.00 N ATOM 1451 CA SER A 89 -8.111 -11.707 -9.499 1.00 0.00 C ATOM 1452 C SER A 89 -7.513 -12.858 -8.684 1.00 0.00 C ATOM 1453 O SER A 89 -7.362 -12.755 -7.470 1.00 0.00 O ATOM 1454 CB SER A 89 -7.043 -11.169 -10.469 1.00 0.00 C ATOM 1455 OG SER A 89 -7.302 -9.870 -10.958 1.00 0.00 O ATOM 0 H SER A 89 -8.225 -10.718 -7.655 1.00 0.00 H new ATOM 0 HA SER A 89 -8.955 -12.054 -10.096 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.077 -11.168 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.960 -11.852 -11.314 1.00 0.00 H new ATOM 0 HG SER A 89 -6.581 -9.599 -11.564 1.00 0.00 H new ATOM 1461 N GLU A 90 -7.159 -13.952 -9.369 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.512 -15.116 -8.771 1.00 0.00 C ATOM 1463 C GLU A 90 -5.032 -14.819 -8.532 1.00 0.00 C ATOM 1464 O GLU A 90 -4.411 -14.119 -9.332 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.728 -16.380 -9.625 1.00 0.00 C ATOM 1466 CG GLU A 90 -6.098 -16.360 -11.027 1.00 0.00 C ATOM 1467 CD GLU A 90 -6.883 -15.500 -12.016 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -6.532 -14.338 -12.218 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -7.958 -16.095 -12.609 1.00 0.00 O ATOM 0 H GLU A 90 -7.319 -14.050 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.973 -15.321 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.328 -17.235 -9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.800 -16.543 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.077 -15.984 -10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.037 -17.380 -11.408 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.470 -15.321 -7.424 1.00 0.00 N ATOM 1478 CA TYR A 91 -3.109 -15.018 -7.026 1.00 0.00 C ATOM 1479 C TYR A 91 -2.084 -15.655 -7.965 1.00 0.00 C ATOM 1480 O TYR A 91 -2.290 -16.754 -8.479 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.884 -15.426 -5.568 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.574 -16.892 -5.356 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.606 -17.847 -5.370 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.234 -17.311 -5.257 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.299 -19.215 -5.287 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.925 -18.680 -5.201 1.00 0.00 C ATOM 1487 CZ TYR A 91 -1.959 -19.633 -5.211 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.664 -20.963 -5.152 1.00 0.00 O ATOM 0 H TYR A 91 -4.956 -15.949 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.963 -13.941 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.063 -14.834 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.775 -15.171 -4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.635 -17.528 -5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.441 -16.578 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.093 -19.947 -5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.105 -19.000 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.692 -21.081 -5.104 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.970 -14.944 -8.165 1.00 0.00 N ATOM 1499 CA LYS A 92 0.173 -15.383 -8.950 1.00 0.00 C ATOM 1500 C LYS A 92 1.142 -16.114 -8.021 1.00 0.00 C ATOM 1501 O LYS A 92 1.459 -17.282 -8.235 1.00 0.00 O ATOM 1502 CB LYS A 92 0.812 -14.148 -9.600 1.00 0.00 C ATOM 1503 CG LYS A 92 2.105 -14.419 -10.385 1.00 0.00 C ATOM 1504 CD LYS A 92 1.915 -15.247 -11.666 1.00 0.00 C ATOM 1505 CE LYS A 92 2.195 -16.744 -11.469 1.00 0.00 C ATOM 1506 NZ LYS A 92 2.193 -17.422 -12.752 1.00 0.00 N ATOM 0 H LYS A 92 -0.841 -14.014 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.117 -16.072 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.085 -13.694 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.025 -13.416 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.561 -13.465 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.808 -14.938 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.894 -15.120 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.576 -14.860 -12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.158 -16.881 -10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.439 -17.181 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.383 -18.435 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.264 -17.304 -13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.930 -17.014 -13.362 1.00 0.00 H new ATOM 1519 N GLY A 93 1.600 -15.413 -6.979 1.00 0.00 N ATOM 1520 CA GLY A 93 2.505 -15.926 -5.969 1.00 0.00 C ATOM 1521 C GLY A 93 2.508 -14.970 -4.780 1.00 0.00 C ATOM 1522 O GLY A 93 1.987 -13.857 -4.868 1.00 0.00 O ATOM 0 H GLY A 93 1.337 -14.441 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.192 -16.921 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.511 -16.023 -6.378 1.00 0.00 H new ATOM 1526 N GLU A 94 3.089 -15.414 -3.663 1.00 0.00 N ATOM 1527 CA GLU A 94 3.165 -14.638 -2.438 1.00 0.00 C ATOM 1528 C GLU A 94 4.246 -13.565 -2.559 1.00 0.00 C ATOM 1529 O GLU A 94 5.438 -13.843 -2.447 1.00 0.00 O ATOM 1530 CB GLU A 94 3.332 -15.543 -1.206 1.00 0.00 C ATOM 1531 CG GLU A 94 4.477 -16.562 -1.265 1.00 0.00 C ATOM 1532 CD GLU A 94 4.653 -17.250 0.086 1.00 0.00 C ATOM 1533 OE1 GLU A 94 5.551 -16.881 0.839 1.00 0.00 O ATOM 1534 OE2 GLU A 94 3.768 -18.249 0.369 1.00 0.00 O ATOM 0 H GLU A 94 3.523 -16.334 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 94 2.219 -14.117 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.483 -14.909 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.399 -16.084 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.270 -17.306 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.403 -16.061 -1.548 1.00 0.00 H new ATOM 1542 N PHE A 95 3.816 -12.321 -2.779 1.00 0.00 N ATOM 1543 CA PHE A 95 4.673 -11.150 -2.741 1.00 0.00 C ATOM 1544 C PHE A 95 4.914 -10.819 -1.266 1.00 0.00 C ATOM 1545 O PHE A 95 4.248 -9.951 -0.703 1.00 0.00 O ATOM 1546 CB PHE A 95 3.981 -9.994 -3.474 1.00 0.00 C ATOM 1547 CG PHE A 95 3.810 -10.077 -4.984 1.00 0.00 C ATOM 1548 CD1 PHE A 95 4.115 -11.241 -5.720 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.315 -8.943 -5.660 1.00 0.00 C ATOM 1550 CE1 PHE A 95 3.900 -11.277 -7.109 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.131 -8.969 -7.053 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.412 -10.141 -7.776 1.00 0.00 C ATOM 0 H PHE A 95 2.843 -12.103 -2.992 1.00 0.00 H new ATOM 0 HA PHE A 95 5.627 -11.326 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.990 -9.873 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.540 -9.084 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.515 -12.108 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.076 -8.049 -5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.110 -12.179 -7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.774 -8.089 -7.568 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.253 -10.168 -8.844 1.00 0.00 H new ATOM 1562 N GLU A 96 5.835 -11.571 -0.648 1.00 0.00 N ATOM 1563 CA GLU A 96 6.085 -11.626 0.787 1.00 0.00 C ATOM 1564 C GLU A 96 6.109 -10.240 1.430 1.00 0.00 C ATOM 1565 O GLU A 96 6.941 -9.412 1.065 1.00 0.00 O ATOM 1566 CB GLU A 96 7.404 -12.362 1.062 1.00 0.00 C ATOM 1567 CG GLU A 96 7.356 -13.823 0.598 1.00 0.00 C ATOM 1568 CD GLU A 96 8.580 -14.596 1.078 1.00 0.00 C ATOM 1569 OE1 GLU A 96 9.517 -14.787 0.305 1.00 0.00 O ATOM 1570 OE2 GLU A 96 8.540 -15.031 2.369 1.00 0.00 O ATOM 0 H GLU A 96 6.456 -12.189 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 96 5.258 -12.173 1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.219 -11.847 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.622 -12.328 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.451 -14.298 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.303 -13.860 -0.490 1.00 0.00 H new ATOM 1578 N ASP A 97 5.191 -10.019 2.385 1.00 0.00 N ATOM 1579 CA ASP A 97 4.978 -8.779 3.125 1.00 0.00 C ATOM 1580 C ASP A 97 4.432 -7.671 2.222 1.00 0.00 C ATOM 1581 O ASP A 97 5.045 -7.318 1.217 1.00 0.00 O ATOM 1582 CB ASP A 97 6.243 -8.341 3.881 1.00 0.00 C ATOM 1583 CG ASP A 97 6.044 -7.027 4.636 1.00 0.00 C ATOM 1584 OD1 ASP A 97 6.911 -6.160 4.571 1.00 0.00 O ATOM 1585 OD2 ASP A 97 4.886 -6.900 5.345 1.00 0.00 O ATOM 0 H ASP A 97 4.541 -10.751 2.674 1.00 0.00 H new ATOM 0 HA ASP A 97 4.216 -8.978 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.531 -9.122 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.065 -8.230 3.174 1.00 0.00 H new ATOM 1591 N PHE A 98 3.284 -7.097 2.602 1.00 0.00 N ATOM 1592 CA PHE A 98 2.698 -5.984 1.877 1.00 0.00 C ATOM 1593 C PHE A 98 3.497 -4.722 2.200 1.00 0.00 C ATOM 1594 O PHE A 98 3.236 -4.115 3.231 1.00 0.00 O ATOM 1595 CB PHE A 98 1.229 -5.814 2.290 1.00 0.00 C ATOM 1596 CG PHE A 98 0.528 -4.686 1.561 1.00 0.00 C ATOM 1597 CD1 PHE A 98 0.090 -4.879 0.243 1.00 0.00 C ATOM 1598 CD2 PHE A 98 0.392 -3.420 2.157 1.00 0.00 C ATOM 1599 CE1 PHE A 98 -0.448 -3.813 -0.492 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -0.169 -2.354 1.434 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.600 -2.552 0.110 1.00 0.00 C ATOM 0 H PHE A 98 2.745 -7.395 3.416 1.00 0.00 H new ATOM 0 HA PHE A 98 2.731 -6.170 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.696 -6.746 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.180 -5.630 3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.168 -5.857 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.720 -3.266 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.745 -3.961 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.269 -1.382 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.046 -1.738 -0.442 1.00 0.00 H new ATOM 1611 N GLU A 99 4.482 -4.346 1.371 1.00 0.00 N ATOM 1612 CA GLU A 99 5.364 -3.211 1.654 1.00 0.00 C ATOM 1613 C GLU A 99 5.222 -2.134 0.582 1.00 0.00 C ATOM 1614 O GLU A 99 4.731 -2.409 -0.506 1.00 0.00 O ATOM 1615 CB GLU A 99 6.807 -3.708 1.784 1.00 0.00 C ATOM 1616 CG GLU A 99 7.743 -2.599 2.283 1.00 0.00 C ATOM 1617 CD GLU A 99 9.130 -3.158 2.580 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.036 -2.984 1.769 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.264 -3.838 3.755 1.00 0.00 O ATOM 0 H GLU A 99 4.687 -4.819 0.491 1.00 0.00 H new ATOM 0 HA GLU A 99 5.076 -2.752 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.841 -4.552 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.156 -4.072 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.816 -1.812 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.329 -2.144 3.183 1.00 0.00 H new ATOM 1627 N THR A 100 5.630 -0.900 0.897 1.00 0.00 N ATOM 1628 CA THR A 100 5.391 0.267 0.061 1.00 0.00 C ATOM 1629 C THR A 100 6.651 0.720 -0.682 1.00 0.00 C ATOM 1630 O THR A 100 7.745 0.660 -0.124 1.00 0.00 O ATOM 1631 CB THR A 100 4.794 1.409 0.914 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.798 2.250 1.444 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.959 0.913 2.101 1.00 0.00 C ATOM 0 H THR A 100 6.142 -0.688 1.753 1.00 0.00 H new ATOM 0 HA THR A 100 4.671 -0.012 -0.708 1.00 0.00 H new ATOM 0 HB THR A 100 4.152 1.952 0.220 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.105 2.871 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.571 1.768 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.128 0.311 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.584 0.308 2.758 1.00 0.00 H new ATOM 1641 N TYR A 101 6.486 1.240 -1.909 1.00 0.00 N ATOM 1642 CA TYR A 101 7.458 2.181 -2.463 1.00 0.00 C ATOM 1643 C TYR A 101 7.424 3.460 -1.620 1.00 0.00 C ATOM 1644 O TYR A 101 6.308 3.843 -1.205 1.00 0.00 O ATOM 1645 CB TYR A 101 7.127 2.538 -3.924 1.00 0.00 C ATOM 1646 CG TYR A 101 7.563 1.608 -5.052 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.423 0.513 -4.828 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.261 1.972 -6.380 1.00 0.00 C ATOM 1649 CE1 TYR A 101 8.977 -0.196 -5.907 1.00 0.00 C ATOM 1650 CE2 TYR A 101 7.887 1.321 -7.457 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.727 0.221 -7.223 1.00 0.00 C ATOM 1652 OH TYR A 101 9.290 -0.439 -8.276 1.00 0.00 O ATOM 1653 OXT TYR A 101 8.507 4.048 -1.419 1.00 0.00 O ATOM 0 H TYR A 101 5.700 1.026 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 101 8.445 1.718 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.045 2.648 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.561 3.518 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.658 0.216 -3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.544 2.756 -6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.595 -1.062 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.721 1.668 -8.466 1.00 0.00 H new ATOM 0 HH TYR A 101 9.009 -0.017 -9.115 1.00 0.00 H new TER 1663 TYR A 101