USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 826 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 40 CYS SG : rot 50:sc= 0.746 USER MOD Set 1.2: A 65 THR OG1 : rot 161:sc= 0.712 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -48:sc= -1.75! USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 17 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0227 F(o=-0.55,f=-0.023) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 34 LYS NZ :NH3+ 149:sc= 0.00205 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.04 K(o=-1,f=-3.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -161:sc= -0.0434 USER MOD Single : A 43 TYR OH : rot -79:sc= 0.0343 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -1.63 F(o=-3.9,f=-1.6) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0552 USER MOD Single : A 74 THR OG1 : rot -60:sc= -0.301 USER MOD Single : A 75 ASN : amide:sc= -0.029 K(o=-0.029,f=-1.6!) USER MOD Single : A 76 MET CE :methyl -113:sc= -3.1! (180deg=-5.08!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.177 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.352 F(o=-2,f=-0.35) USER MOD Single : A 100 SER OG : rot -132:sc= 0.285 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 167:sc= -6.23! (180deg=-7.15!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 15.758 6.391 -7.267 1.00 0.00 N ATOM 26 CA ILE A 3 17.000 6.013 -7.930 1.00 0.00 C ATOM 27 C ILE A 3 17.713 4.900 -7.169 1.00 0.00 C ATOM 28 O ILE A 3 17.544 4.753 -5.958 1.00 0.00 O ATOM 29 CB ILE A 3 17.952 7.215 -8.070 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.200 8.428 -8.623 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.127 6.859 -8.969 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.030 9.692 -8.653 1.00 0.00 C ATOM 0 HA ILE A 3 16.731 5.656 -8.924 1.00 0.00 H new ATOM 0 HB ILE A 3 18.339 7.470 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.858 8.204 -9.633 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.311 8.601 -8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.791 7.719 -9.058 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.675 6.021 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.759 6.581 -9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.433 10.510 -9.056 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.350 9.941 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.906 9.537 -9.283 1.00 0.00 H new ATOM 44 N LYS A 4 18.514 4.119 -7.886 1.00 0.00 N ATOM 45 CA LYS A 4 19.257 3.021 -7.279 1.00 0.00 C ATOM 46 C LYS A 4 20.238 3.540 -6.233 1.00 0.00 C ATOM 47 O LYS A 4 20.113 4.667 -5.756 1.00 0.00 O ATOM 48 CB LYS A 4 20.010 2.233 -8.353 1.00 0.00 C ATOM 49 CG LYS A 4 21.185 2.988 -8.950 1.00 0.00 C ATOM 50 CD LYS A 4 22.083 2.070 -9.763 1.00 0.00 C ATOM 51 CE LYS A 4 23.394 1.793 -9.043 1.00 0.00 C ATOM 52 NZ LYS A 4 23.776 0.355 -9.120 1.00 0.00 N ATOM 0 H LYS A 4 18.665 4.226 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 4 18.543 2.361 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.371 1.299 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.316 1.968 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.816 3.793 -9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.764 3.451 -8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.566 1.130 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.288 2.524 -10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.185 2.403 -9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.304 2.090 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.675 0.207 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.034 -0.225 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.887 0.078 -10.116 1.00 0.00 H new ATOM 66 N GLY A 5 21.216 2.711 -5.882 1.00 0.00 N ATOM 67 CA GLY A 5 22.205 3.105 -4.895 1.00 0.00 C ATOM 68 C GLY A 5 22.723 4.511 -5.124 1.00 0.00 C ATOM 69 O GLY A 5 22.218 5.470 -4.540 1.00 0.00 O ATOM 0 H GLY A 5 21.341 1.773 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.766 3.040 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.040 2.405 -4.922 1.00 0.00 H new ATOM 73 N VAL A 6 23.736 4.636 -5.976 1.00 0.00 N ATOM 74 CA VAL A 6 24.324 5.935 -6.280 1.00 0.00 C ATOM 75 C VAL A 6 24.382 6.173 -7.784 1.00 0.00 C ATOM 76 O VAL A 6 25.341 5.782 -8.450 1.00 0.00 O ATOM 77 CB VAL A 6 25.744 6.059 -5.696 1.00 0.00 C ATOM 78 CG1 VAL A 6 26.565 4.821 -6.022 1.00 0.00 C ATOM 79 CG2 VAL A 6 26.426 7.314 -6.218 1.00 0.00 C ATOM 0 H VAL A 6 24.166 3.853 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 6 23.684 6.688 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 6 25.667 6.139 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.565 4.927 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.083 3.942 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.636 4.706 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.428 7.386 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.493 7.266 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.846 8.190 -5.928 1.00 0.00 H new ATOM 89 N THR A 7 23.349 6.819 -8.316 1.00 0.00 N ATOM 90 CA THR A 7 23.281 7.109 -9.743 1.00 0.00 C ATOM 91 C THR A 7 22.234 8.177 -10.037 1.00 0.00 C ATOM 92 O THR A 7 21.489 8.593 -9.149 1.00 0.00 O ATOM 93 CB THR A 7 22.952 5.845 -10.559 1.00 0.00 C ATOM 94 OG1 THR A 7 23.326 4.675 -9.822 1.00 0.00 O ATOM 95 CG2 THR A 7 23.675 5.860 -11.897 1.00 0.00 C ATOM 0 H THR A 7 22.548 7.151 -7.780 1.00 0.00 H new ATOM 0 HA THR A 7 24.264 7.476 -10.038 1.00 0.00 H new ATOM 0 HB THR A 7 21.878 5.829 -10.745 1.00 0.00 H new ATOM 0 HG1 THR A 7 24.237 4.782 -9.478 1.00 0.00 H new ATOM 0 HG21 THR A 7 23.427 4.957 -12.455 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.366 6.736 -12.468 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.751 5.898 -11.729 1.00 0.00 H new ATOM 103 N PHE A 8 22.181 8.618 -11.290 1.00 0.00 N ATOM 104 CA PHE A 8 21.225 9.639 -11.702 1.00 0.00 C ATOM 105 C PHE A 8 20.834 9.459 -13.166 1.00 0.00 C ATOM 106 O PHE A 8 21.213 8.479 -13.805 1.00 0.00 O ATOM 107 CB PHE A 8 21.813 11.035 -11.487 1.00 0.00 C ATOM 108 CG PHE A 8 23.270 11.132 -11.835 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.241 10.766 -10.917 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.670 11.589 -13.081 1.00 0.00 C ATOM 111 CE1 PHE A 8 25.583 10.855 -11.235 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.011 11.679 -13.405 1.00 0.00 C ATOM 113 CZ PHE A 8 25.969 11.311 -12.481 1.00 0.00 C ATOM 0 H PHE A 8 22.789 8.284 -12.038 1.00 0.00 H new ATOM 0 HA PHE A 8 20.330 9.531 -11.089 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.255 11.752 -12.089 1.00 0.00 H new ATOM 0 HB3 PHE A 8 21.677 11.321 -10.444 1.00 0.00 H new ATOM 0 HD1 PHE A 8 23.946 10.407 -9.942 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.925 11.878 -13.808 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.330 10.568 -10.510 1.00 0.00 H new ATOM 0 HE2 PHE A 8 25.309 12.037 -14.380 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.017 11.379 -12.732 1.00 0.00 H new ATOM 123 N GLY A 9 20.071 10.413 -13.690 1.00 0.00 N ATOM 124 CA GLY A 9 19.640 10.342 -15.074 1.00 0.00 C ATOM 125 C GLY A 9 20.763 9.944 -16.011 1.00 0.00 C ATOM 126 O GLY A 9 21.610 10.766 -16.359 1.00 0.00 O ATOM 0 H GLY A 9 19.744 11.234 -13.181 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.826 9.623 -15.161 1.00 0.00 H new ATOM 0 HA3 GLY A 9 19.243 11.311 -15.378 1.00 0.00 H new ATOM 130 N GLU A 10 20.770 8.679 -16.419 1.00 0.00 N ATOM 131 CA GLU A 10 21.800 8.173 -17.320 1.00 0.00 C ATOM 132 C GLU A 10 21.188 7.702 -18.636 1.00 0.00 C ATOM 133 O GLU A 10 21.840 7.725 -19.679 1.00 0.00 O ATOM 134 CB GLU A 10 22.566 7.025 -16.661 1.00 0.00 C ATOM 135 CG GLU A 10 23.838 7.467 -15.956 1.00 0.00 C ATOM 136 CD GLU A 10 24.543 6.323 -15.253 1.00 0.00 C ATOM 137 OE1 GLU A 10 23.935 5.240 -15.125 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.704 6.512 -14.832 1.00 0.00 O ATOM 0 H GLU A 10 20.075 7.986 -16.141 1.00 0.00 H new ATOM 0 HA GLU A 10 22.493 8.987 -17.533 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.914 6.531 -15.940 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.820 6.286 -17.421 1.00 0.00 H new ATOM 0 HG2 GLU A 10 24.515 7.914 -16.683 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.595 8.241 -15.228 1.00 0.00 H new ATOM 145 N ASP A 11 19.932 7.274 -18.577 1.00 0.00 N ATOM 146 CA ASP A 11 19.230 6.797 -19.764 1.00 0.00 C ATOM 147 C ASP A 11 17.770 7.238 -19.745 1.00 0.00 C ATOM 148 O ASP A 11 17.296 7.895 -20.673 1.00 0.00 O ATOM 149 CB ASP A 11 19.315 5.273 -19.854 1.00 0.00 C ATOM 150 CG ASP A 11 19.413 4.782 -21.285 1.00 0.00 C ATOM 151 OD1 ASP A 11 18.378 4.782 -21.984 1.00 0.00 O ATOM 152 OD2 ASP A 11 20.524 4.398 -21.707 1.00 0.00 O ATOM 0 H ASP A 11 19.379 7.247 -17.721 1.00 0.00 H new ATOM 0 HA ASP A 11 19.710 7.232 -20.640 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.184 4.927 -19.294 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.436 4.834 -19.382 1.00 0.00 H new ATOM 157 N THR A 12 17.060 6.871 -18.683 1.00 0.00 N ATOM 158 CA THR A 12 15.653 7.226 -18.545 1.00 0.00 C ATOM 159 C THR A 12 15.071 6.671 -17.250 1.00 0.00 C ATOM 160 O THR A 12 15.610 5.729 -16.668 1.00 0.00 O ATOM 161 CB THR A 12 14.822 6.703 -19.732 1.00 0.00 C ATOM 162 OG1 THR A 12 13.426 6.875 -19.466 1.00 0.00 O ATOM 163 CG2 THR A 12 15.117 5.234 -19.995 1.00 0.00 C ATOM 0 H THR A 12 17.436 6.328 -17.906 1.00 0.00 H new ATOM 0 HA THR A 12 15.602 8.315 -18.527 1.00 0.00 H new ATOM 0 HB THR A 12 15.096 7.275 -20.618 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.905 6.542 -20.226 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.518 4.888 -20.837 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.175 5.111 -20.227 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.869 4.649 -19.109 1.00 0.00 H new ATOM 171 N VAL A 13 13.967 7.260 -16.802 1.00 0.00 N ATOM 172 CA VAL A 13 13.310 6.824 -15.576 1.00 0.00 C ATOM 173 C VAL A 13 12.481 5.567 -15.814 1.00 0.00 C ATOM 174 O VAL A 13 12.153 5.234 -16.953 1.00 0.00 O ATOM 175 CB VAL A 13 12.398 7.926 -15.004 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.116 7.675 -13.531 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.027 9.296 -15.210 1.00 0.00 C ATOM 0 H VAL A 13 13.508 8.041 -17.271 1.00 0.00 H new ATOM 0 HA VAL A 13 14.098 6.606 -14.856 1.00 0.00 H new ATOM 0 HB VAL A 13 11.449 7.903 -15.539 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.470 8.464 -13.145 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.621 6.711 -13.414 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.054 7.670 -12.977 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.370 10.063 -14.800 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.991 9.334 -14.702 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.172 9.473 -16.276 1.00 0.00 H new ATOM 187 N TRP A 14 12.145 4.873 -14.733 1.00 0.00 N ATOM 188 CA TRP A 14 11.353 3.651 -14.824 1.00 0.00 C ATOM 189 C TRP A 14 12.090 2.584 -15.625 1.00 0.00 C ATOM 190 O TRP A 14 11.488 1.612 -16.080 1.00 0.00 O ATOM 191 CB TRP A 14 9.997 3.945 -15.468 1.00 0.00 C ATOM 192 CG TRP A 14 8.942 4.335 -14.479 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.836 5.527 -13.819 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.843 3.531 -14.035 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.739 5.511 -12.993 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.112 4.298 -13.108 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.405 2.238 -14.333 1.00 0.00 C ATOM 198 CZ2 TRP A 14 5.970 3.813 -12.477 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.271 1.757 -13.706 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.564 2.544 -12.787 1.00 0.00 C ATOM 0 H TRP A 14 12.408 5.135 -13.783 1.00 0.00 H new ATOM 0 HA TRP A 14 11.193 3.274 -13.814 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.115 4.747 -16.197 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.664 3.063 -16.015 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.515 6.359 -13.931 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.439 6.278 -12.391 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.943 1.625 -15.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.424 4.417 -11.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.924 0.759 -13.928 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.681 2.141 -12.314 1.00 0.00 H new ATOM 211 N GLU A 15 13.395 2.771 -15.793 1.00 0.00 N ATOM 212 CA GLU A 15 14.212 1.823 -16.540 1.00 0.00 C ATOM 213 C GLU A 15 15.579 1.646 -15.884 1.00 0.00 C ATOM 214 O GLU A 15 16.023 0.524 -15.640 1.00 0.00 O ATOM 215 CB GLU A 15 14.386 2.293 -17.986 1.00 0.00 C ATOM 216 CG GLU A 15 13.321 1.761 -18.931 1.00 0.00 C ATOM 217 CD GLU A 15 13.599 0.341 -19.384 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.245 -0.409 -18.624 1.00 0.00 O ATOM 219 OE2 GLU A 15 13.170 -0.019 -20.500 1.00 0.00 O ATOM 0 H GLU A 15 13.909 3.570 -15.422 1.00 0.00 H new ATOM 0 HA GLU A 15 13.699 0.861 -16.537 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.369 3.383 -18.010 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.367 1.981 -18.345 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.351 1.797 -18.436 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.258 2.411 -19.804 1.00 0.00 H new ATOM 226 N VAL A 16 16.242 2.763 -15.601 1.00 0.00 N ATOM 227 CA VAL A 16 17.557 2.734 -14.973 1.00 0.00 C ATOM 228 C VAL A 16 17.454 2.970 -13.471 1.00 0.00 C ATOM 229 O VAL A 16 18.312 2.533 -12.704 1.00 0.00 O ATOM 230 CB VAL A 16 18.495 3.791 -15.585 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.044 5.192 -15.199 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.931 3.546 -15.147 1.00 0.00 C ATOM 0 H VAL A 16 15.889 3.700 -15.797 1.00 0.00 H new ATOM 0 HA VAL A 16 17.972 1.743 -15.154 1.00 0.00 H new ATOM 0 HB VAL A 16 18.450 3.706 -16.671 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.718 5.926 -15.640 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.032 5.362 -15.566 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.058 5.293 -14.114 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.580 4.302 -15.589 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.995 3.603 -14.060 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.249 2.557 -15.478 1.00 0.00 H new ATOM 242 N GLN A 17 16.398 3.663 -13.057 1.00 0.00 N ATOM 243 CA GLN A 17 16.183 3.957 -11.645 1.00 0.00 C ATOM 244 C GLN A 17 16.008 2.673 -10.842 1.00 0.00 C ATOM 245 O GLN A 17 16.355 2.614 -9.663 1.00 0.00 O ATOM 246 CB GLN A 17 14.955 4.853 -11.471 1.00 0.00 C ATOM 247 CG GLN A 17 13.661 4.080 -11.270 1.00 0.00 C ATOM 248 CD GLN A 17 12.440 4.978 -11.260 1.00 0.00 C ATOM 249 OE1 GLN A 17 12.526 6.159 -10.923 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.293 4.421 -11.632 1.00 0.00 N ATOM 0 H GLN A 17 15.678 4.031 -13.679 1.00 0.00 H new ATOM 0 HA GLN A 17 17.063 4.481 -11.270 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.113 5.509 -10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.854 5.492 -12.349 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.557 3.341 -12.064 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.712 3.532 -10.329 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.268 3.438 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.437 4.976 -11.646 1.00 0.00 H new ATOM 259 N GLY A 18 15.468 1.644 -11.489 1.00 0.00 N ATOM 260 CA GLY A 18 15.256 0.375 -10.819 1.00 0.00 C ATOM 261 C GLY A 18 14.150 0.442 -9.785 1.00 0.00 C ATOM 262 O GLY A 18 14.255 -0.157 -8.714 1.00 0.00 O ATOM 0 H GLY A 18 15.174 1.667 -12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.011 -0.387 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.182 0.064 -10.336 1.00 0.00 H new ATOM 266 N TYR A 19 13.089 1.174 -10.103 1.00 0.00 N ATOM 267 CA TYR A 19 11.960 1.322 -9.191 1.00 0.00 C ATOM 268 C TYR A 19 10.680 1.641 -9.956 1.00 0.00 C ATOM 269 O TYR A 19 10.691 1.782 -11.179 1.00 0.00 O ATOM 270 CB TYR A 19 12.245 2.423 -8.168 1.00 0.00 C ATOM 271 CG TYR A 19 13.268 2.031 -7.126 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.983 1.060 -6.174 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.521 2.631 -7.094 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.914 0.700 -5.219 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.459 2.276 -6.145 1.00 0.00 C ATOM 276 CZ TYR A 19 15.151 1.311 -5.209 1.00 0.00 C ATOM 277 OH TYR A 19 16.082 0.954 -4.261 1.00 0.00 O ATOM 0 H TYR A 19 12.986 1.675 -10.986 1.00 0.00 H new ATOM 0 HA TYR A 19 11.822 0.376 -8.667 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.595 3.312 -8.692 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.315 2.693 -7.668 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.016 0.578 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.765 3.388 -7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.675 -0.055 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.429 2.751 -6.136 1.00 0.00 H new ATOM 0 HH TYR A 19 16.900 1.477 -4.393 1.00 0.00 H new ATOM 287 N LYS A 20 9.575 1.755 -9.226 1.00 0.00 N ATOM 288 CA LYS A 20 8.285 2.060 -9.833 1.00 0.00 C ATOM 289 C LYS A 20 7.390 2.818 -8.857 1.00 0.00 C ATOM 290 O LYS A 20 7.812 3.163 -7.754 1.00 0.00 O ATOM 291 CB LYS A 20 7.592 0.772 -10.282 1.00 0.00 C ATOM 292 CG LYS A 20 8.167 0.185 -11.559 1.00 0.00 C ATOM 293 CD LYS A 20 9.261 -0.828 -11.264 1.00 0.00 C ATOM 294 CE LYS A 20 9.019 -2.139 -11.994 1.00 0.00 C ATOM 295 NZ LYS A 20 9.833 -2.241 -13.237 1.00 0.00 N ATOM 0 H LYS A 20 9.547 1.641 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 20 8.462 2.692 -10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.668 0.032 -9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.531 0.973 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.372 -0.293 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.569 0.986 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.227 -0.418 -11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.308 -1.012 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.259 -2.972 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.962 -2.225 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.639 -3.149 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.586 -1.461 -13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.843 -2.184 -12.996 1.00 0.00 H new ATOM 309 N ASN A 21 6.153 3.072 -9.270 1.00 0.00 N ATOM 310 CA ASN A 21 5.199 3.788 -8.431 1.00 0.00 C ATOM 311 C ASN A 21 3.859 3.059 -8.388 1.00 0.00 C ATOM 312 O ASN A 21 3.265 2.768 -9.426 1.00 0.00 O ATOM 313 CB ASN A 21 5.001 5.213 -8.950 1.00 0.00 C ATOM 314 CG ASN A 21 6.279 6.028 -8.903 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.203 5.732 -9.809 1.00 0.00 O flip ATOM 316 ND2 ASN A 21 6.433 6.914 -8.062 1.00 0.00 N flip ATOM 0 H ASN A 21 5.788 2.793 -10.180 1.00 0.00 H new ATOM 0 HA ASN A 21 5.602 3.830 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.635 5.176 -9.976 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.234 5.710 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.696 7.108 -7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.298 7.454 -8.043 1.00 0.00 H new ATOM 323 N VAL A 22 3.388 2.768 -7.180 1.00 0.00 N ATOM 324 CA VAL A 22 2.117 2.076 -7.000 1.00 0.00 C ATOM 325 C VAL A 22 1.275 2.744 -5.920 1.00 0.00 C ATOM 326 O VAL A 22 1.709 2.883 -4.777 1.00 0.00 O ATOM 327 CB VAL A 22 2.332 0.597 -6.627 1.00 0.00 C ATOM 328 CG1 VAL A 22 0.997 -0.096 -6.402 1.00 0.00 C ATOM 329 CG2 VAL A 22 3.136 -0.113 -7.705 1.00 0.00 C ATOM 0 H VAL A 22 3.868 3.001 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 22 1.589 2.130 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 22 2.898 0.553 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.169 -1.140 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.462 0.399 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.402 -0.044 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.278 -1.157 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.599 -0.062 -8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.107 0.370 -7.812 1.00 0.00 H new ATOM 339 N ARG A 23 0.066 3.156 -6.291 1.00 0.00 N ATOM 340 CA ARG A 23 -0.838 3.811 -5.353 1.00 0.00 C ATOM 341 C ARG A 23 -1.973 2.875 -4.949 1.00 0.00 C ATOM 342 O ARG A 23 -2.524 2.155 -5.782 1.00 0.00 O ATOM 343 CB ARG A 23 -1.411 5.088 -5.972 1.00 0.00 C ATOM 344 CG ARG A 23 -0.895 6.363 -5.325 1.00 0.00 C ATOM 345 CD ARG A 23 -1.916 6.951 -4.363 1.00 0.00 C ATOM 346 NE ARG A 23 -2.496 8.191 -4.871 1.00 0.00 N ATOM 347 CZ ARG A 23 -3.623 8.719 -4.407 1.00 0.00 C ATOM 348 NH1 ARG A 23 -4.287 8.118 -3.429 1.00 0.00 N ATOM 349 NH2 ARG A 23 -4.088 9.850 -4.922 1.00 0.00 N ATOM 0 H ARG A 23 -0.309 3.048 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.270 4.071 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.170 5.106 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.498 5.064 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.031 6.152 -4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.658 7.094 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.710 6.225 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.440 7.141 -3.401 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.009 8.678 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.932 7.248 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.152 8.526 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.580 10.314 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.954 10.255 -4.565 1.00 0.00 H new ATOM 363 N ILE A 24 -2.317 2.891 -3.665 1.00 0.00 N ATOM 364 CA ILE A 24 -3.387 2.044 -3.151 1.00 0.00 C ATOM 365 C ILE A 24 -4.635 2.863 -2.842 1.00 0.00 C ATOM 366 O ILE A 24 -4.582 3.839 -2.092 1.00 0.00 O ATOM 367 CB ILE A 24 -2.949 1.295 -1.879 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.565 0.675 -2.076 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.968 0.225 -1.518 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.491 -0.277 -3.250 1.00 0.00 C ATOM 0 H ILE A 24 -1.871 3.481 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.617 1.317 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.892 2.008 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.836 1.472 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.282 0.142 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.645 -0.296 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.937 0.691 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.053 -0.488 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.481 -0.679 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.196 -1.095 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.743 0.256 -4.167 1.00 0.00 H new ATOM 382 N THR A 25 -5.761 2.459 -3.423 1.00 0.00 N ATOM 383 CA THR A 25 -7.024 3.154 -3.210 1.00 0.00 C ATOM 384 C THR A 25 -8.208 2.210 -3.387 1.00 0.00 C ATOM 385 O THR A 25 -8.889 2.239 -4.412 1.00 0.00 O ATOM 386 CB THR A 25 -7.181 4.343 -4.176 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.088 5.254 -4.013 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.494 5.070 -3.930 1.00 0.00 C ATOM 0 H THR A 25 -5.823 1.653 -4.045 1.00 0.00 H new ATOM 0 HA THR A 25 -7.010 3.527 -2.186 1.00 0.00 H new ATOM 0 HB THR A 25 -7.183 3.957 -5.195 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.194 6.006 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.583 5.906 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.325 4.382 -4.083 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.516 5.444 -2.907 1.00 0.00 H new ATOM 396 N PHE A 26 -8.448 1.375 -2.382 1.00 0.00 N ATOM 397 CA PHE A 26 -9.550 0.421 -2.427 1.00 0.00 C ATOM 398 C PHE A 26 -10.521 0.658 -1.274 1.00 0.00 C ATOM 399 O PHE A 26 -11.598 1.222 -1.463 1.00 0.00 O ATOM 400 CB PHE A 26 -9.016 -1.012 -2.373 1.00 0.00 C ATOM 401 CG PHE A 26 -10.097 -2.054 -2.361 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.661 -2.501 -3.545 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.549 -2.587 -1.164 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.655 -3.461 -3.537 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.543 -3.548 -1.150 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.098 -3.984 -2.338 1.00 0.00 C ATOM 0 H PHE A 26 -7.894 1.339 -1.526 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.085 0.566 -3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.368 -1.182 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.400 -1.128 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.320 -2.094 -4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.120 -2.248 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.085 -3.802 -4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.885 -3.958 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.877 -4.732 -2.329 1.00 0.00 H new ATOM 416 N GLU A 27 -10.131 0.221 -0.081 1.00 0.00 N ATOM 417 CA GLU A 27 -10.968 0.383 1.102 1.00 0.00 C ATOM 418 C GLU A 27 -10.317 -0.261 2.322 1.00 0.00 C ATOM 419 O GLU A 27 -9.676 -1.308 2.218 1.00 0.00 O ATOM 420 CB GLU A 27 -12.350 -0.229 0.865 1.00 0.00 C ATOM 421 CG GLU A 27 -13.466 0.799 0.788 1.00 0.00 C ATOM 422 CD GLU A 27 -14.587 0.518 1.771 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.295 0.363 2.975 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.755 0.454 1.335 1.00 0.00 O ATOM 0 H GLU A 27 -9.242 -0.248 0.092 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.079 1.450 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.330 -0.802 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.570 -0.932 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.056 1.790 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.871 0.815 -0.224 1.00 0.00 H new ATOM 431 N LEU A 28 -10.484 0.371 3.478 1.00 0.00 N ATOM 432 CA LEU A 28 -9.912 -0.139 4.720 1.00 0.00 C ATOM 433 C LEU A 28 -10.762 0.269 5.919 1.00 0.00 C ATOM 434 O LEU A 28 -11.210 -0.578 6.691 1.00 0.00 O ATOM 435 CB LEU A 28 -8.482 0.375 4.895 1.00 0.00 C ATOM 436 CG LEU A 28 -7.408 -0.691 5.114 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.428 -1.710 3.986 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.034 -0.048 5.230 1.00 0.00 C ATOM 0 H LEU A 28 -11.011 1.238 3.582 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.896 -1.227 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.215 0.955 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.464 1.060 5.743 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.624 -1.210 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.657 -2.460 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.404 -2.194 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.238 -1.207 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.282 -0.822 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.809 0.498 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.025 0.642 6.074 1.00 0.00 H new ATOM 450 N ASP A 29 -10.980 1.571 6.067 1.00 0.00 N ATOM 451 CA ASP A 29 -11.779 2.091 7.170 1.00 0.00 C ATOM 452 C ASP A 29 -13.007 2.833 6.649 1.00 0.00 C ATOM 453 O ASP A 29 -13.226 2.918 5.441 1.00 0.00 O ATOM 454 CB ASP A 29 -10.937 3.023 8.042 1.00 0.00 C ATOM 455 CG ASP A 29 -10.910 2.590 9.495 1.00 0.00 C ATOM 456 OD1 ASP A 29 -11.997 2.467 10.098 1.00 0.00 O ATOM 457 OD2 ASP A 29 -9.802 2.372 10.028 1.00 0.00 O ATOM 0 H ASP A 29 -10.615 2.285 5.437 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.115 1.247 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.918 3.054 7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.334 4.036 7.975 1.00 0.00 H new ATOM 462 N GLU A 30 -13.804 3.367 7.570 1.00 0.00 N ATOM 463 CA GLU A 30 -15.010 4.099 7.202 1.00 0.00 C ATOM 464 C GLU A 30 -14.950 5.536 7.711 1.00 0.00 C ATOM 465 O GLU A 30 -15.471 6.453 7.075 1.00 0.00 O ATOM 466 CB GLU A 30 -16.250 3.399 7.764 1.00 0.00 C ATOM 467 CG GLU A 30 -16.161 3.106 9.252 1.00 0.00 C ATOM 468 CD GLU A 30 -17.421 3.495 10.000 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.939 4.604 9.751 1.00 0.00 O ATOM 470 OE2 GLU A 30 -17.889 2.693 10.834 1.00 0.00 O ATOM 0 H GLU A 30 -13.636 3.306 8.574 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.074 4.119 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.125 4.022 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.404 2.463 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.970 2.043 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.312 3.644 9.674 1.00 0.00 H new ATOM 477 N ARG A 31 -14.312 5.725 8.861 1.00 0.00 N ATOM 478 CA ARG A 31 -14.184 7.049 9.457 1.00 0.00 C ATOM 479 C ARG A 31 -12.778 7.605 9.252 1.00 0.00 C ATOM 480 O ARG A 31 -12.553 8.810 9.361 1.00 0.00 O ATOM 481 CB ARG A 31 -14.510 6.994 10.950 1.00 0.00 C ATOM 482 CG ARG A 31 -15.166 8.259 11.478 1.00 0.00 C ATOM 483 CD ARG A 31 -16.624 8.349 11.054 1.00 0.00 C ATOM 484 NE ARG A 31 -17.283 9.528 11.608 1.00 0.00 N ATOM 485 CZ ARG A 31 -18.509 9.912 11.270 1.00 0.00 C ATOM 486 NH1 ARG A 31 -19.206 9.212 10.385 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.042 10.997 11.818 1.00 0.00 N ATOM 0 H ARG A 31 -13.875 4.977 9.399 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.893 7.712 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.170 6.147 11.138 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.591 6.812 11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.100 8.277 12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.625 9.131 11.111 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.684 8.378 9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.152 7.452 11.379 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.774 10.088 12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.801 8.377 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.147 9.509 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.510 11.538 12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.983 11.290 11.557 1.00 0.00 H new ATOM 501 N VAL A 32 -11.834 6.717 8.954 1.00 0.00 N ATOM 502 CA VAL A 32 -10.450 7.118 8.733 1.00 0.00 C ATOM 503 C VAL A 32 -9.874 6.446 7.492 1.00 0.00 C ATOM 504 O VAL A 32 -8.785 5.873 7.533 1.00 0.00 O ATOM 505 CB VAL A 32 -9.566 6.775 9.947 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.833 7.738 11.093 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.798 5.336 10.384 1.00 0.00 C ATOM 0 H VAL A 32 -12.003 5.715 8.860 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.453 8.198 8.588 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.521 6.879 9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.199 7.479 11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.612 8.756 10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.880 7.670 11.389 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.166 5.110 11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.844 5.203 10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.550 4.662 9.564 1.00 0.00 H new ATOM 517 N ASP A 33 -10.612 6.520 6.390 1.00 0.00 N ATOM 518 CA ASP A 33 -10.174 5.920 5.135 1.00 0.00 C ATOM 519 C ASP A 33 -9.181 6.827 4.416 1.00 0.00 C ATOM 520 O ASP A 33 -8.089 6.398 4.042 1.00 0.00 O ATOM 521 CB ASP A 33 -11.377 5.642 4.232 1.00 0.00 C ATOM 522 CG ASP A 33 -11.135 6.072 2.798 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.340 5.405 2.104 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.741 7.078 2.370 1.00 0.00 O ATOM 0 H ASP A 33 -11.516 6.989 6.340 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.676 4.978 5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.607 4.577 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.250 6.165 4.623 1.00 0.00 H new ATOM 529 N LYS A 34 -9.567 8.084 4.225 1.00 0.00 N ATOM 530 CA LYS A 34 -8.711 9.053 3.551 1.00 0.00 C ATOM 531 C LYS A 34 -7.348 9.141 4.230 1.00 0.00 C ATOM 532 O LYS A 34 -6.364 9.556 3.618 1.00 0.00 O ATOM 533 CB LYS A 34 -9.377 10.431 3.540 1.00 0.00 C ATOM 534 CG LYS A 34 -8.925 11.334 4.675 1.00 0.00 C ATOM 535 CD LYS A 34 -9.419 10.829 6.020 1.00 0.00 C ATOM 536 CE LYS A 34 -10.763 11.440 6.385 1.00 0.00 C ATOM 537 NZ LYS A 34 -11.004 11.415 7.855 1.00 0.00 N ATOM 0 H LYS A 34 -10.467 8.456 4.528 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.564 8.718 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.163 10.921 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.458 10.303 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.837 11.391 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.296 12.345 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.507 9.743 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.687 11.069 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.803 12.469 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.559 10.896 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.588 12.232 8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.498 10.536 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.094 11.459 8.357 1.00 0.00 H new ATOM 551 N VAL A 35 -7.297 8.745 5.498 1.00 0.00 N ATOM 552 CA VAL A 35 -6.054 8.776 6.259 1.00 0.00 C ATOM 553 C VAL A 35 -5.037 7.792 5.691 1.00 0.00 C ATOM 554 O VAL A 35 -3.850 7.852 6.017 1.00 0.00 O ATOM 555 CB VAL A 35 -6.296 8.447 7.744 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.994 8.520 8.527 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.336 9.388 8.334 1.00 0.00 C ATOM 0 H VAL A 35 -8.102 8.399 6.020 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.659 9.789 6.179 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.677 7.428 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.185 8.285 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.283 7.803 8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.580 9.525 8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.495 9.142 9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.985 10.416 8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.274 9.281 7.790 1.00 0.00 H new ATOM 567 N LEU A 36 -5.509 6.888 4.841 1.00 0.00 N ATOM 568 CA LEU A 36 -4.641 5.889 4.226 1.00 0.00 C ATOM 569 C LEU A 36 -4.661 6.012 2.706 1.00 0.00 C ATOM 570 O LEU A 36 -4.016 5.236 2.002 1.00 0.00 O ATOM 571 CB LEU A 36 -5.074 4.482 4.642 1.00 0.00 C ATOM 572 CG LEU A 36 -6.278 3.904 3.898 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.834 2.830 2.917 1.00 0.00 C ATOM 574 CD2 LEU A 36 -7.293 3.342 4.883 1.00 0.00 C ATOM 0 H LEU A 36 -6.488 6.825 4.561 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.623 6.066 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.229 3.808 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.302 4.494 5.708 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.753 4.707 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.704 2.430 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.145 3.262 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.334 2.027 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.144 2.935 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.829 2.552 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.635 4.137 5.546 1.00 0.00 H new ATOM 586 N ASN A 37 -5.406 6.993 2.206 1.00 0.00 N ATOM 587 CA ASN A 37 -5.509 7.218 0.769 1.00 0.00 C ATOM 588 C ASN A 37 -5.024 8.617 0.401 1.00 0.00 C ATOM 589 O ASN A 37 -4.791 8.916 -0.769 1.00 0.00 O ATOM 590 CB ASN A 37 -6.955 7.030 0.305 1.00 0.00 C ATOM 591 CG ASN A 37 -7.563 8.312 -0.228 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.716 9.291 0.503 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.914 8.313 -1.509 1.00 0.00 N ATOM 0 H ASN A 37 -5.947 7.644 2.775 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.874 6.488 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.988 6.266 -0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.556 6.665 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.328 9.148 -1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.769 7.479 -2.078 1.00 0.00 H new ATOM 600 N GLU A 38 -4.873 9.469 1.410 1.00 0.00 N ATOM 601 CA GLU A 38 -4.415 10.837 1.192 1.00 0.00 C ATOM 602 C GLU A 38 -3.123 11.106 1.958 1.00 0.00 C ATOM 603 O GLU A 38 -2.273 11.878 1.513 1.00 0.00 O ATOM 604 CB GLU A 38 -5.494 11.834 1.622 1.00 0.00 C ATOM 605 CG GLU A 38 -4.955 13.224 1.917 1.00 0.00 C ATOM 606 CD GLU A 38 -5.884 14.323 1.440 1.00 0.00 C ATOM 607 OE1 GLU A 38 -7.088 14.267 1.768 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.407 15.239 0.739 1.00 0.00 O ATOM 0 H GLU A 38 -5.061 9.237 2.385 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.218 10.963 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.246 11.904 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.996 11.452 2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.796 13.328 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.983 13.342 1.438 1.00 0.00 H new ATOM 615 N LYS A 39 -2.983 10.466 3.114 1.00 0.00 N ATOM 616 CA LYS A 39 -1.796 10.635 3.943 1.00 0.00 C ATOM 617 C LYS A 39 -0.574 10.009 3.278 1.00 0.00 C ATOM 618 O LYS A 39 0.516 10.583 3.296 1.00 0.00 O ATOM 619 CB LYS A 39 -2.017 10.006 5.321 1.00 0.00 C ATOM 620 CG LYS A 39 -1.380 10.788 6.456 1.00 0.00 C ATOM 621 CD LYS A 39 -2.299 10.869 7.663 1.00 0.00 C ATOM 622 CE LYS A 39 -3.547 11.684 7.361 1.00 0.00 C ATOM 623 NZ LYS A 39 -3.991 12.478 8.540 1.00 0.00 N ATOM 0 H LYS A 39 -3.677 9.825 3.498 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.616 11.703 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.088 9.922 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.614 8.993 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.441 10.314 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.137 11.794 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.586 9.864 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.764 11.318 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.349 12.355 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.350 11.016 7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.844 13.019 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.205 11.836 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.235 13.134 8.822 1.00 0.00 H new ATOM 637 N CYS A 40 -0.763 8.833 2.691 1.00 0.00 N ATOM 638 CA CYS A 40 0.324 8.130 2.019 1.00 0.00 C ATOM 639 C CYS A 40 -0.161 6.805 1.440 1.00 0.00 C ATOM 640 O CYS A 40 -0.093 5.767 2.097 1.00 0.00 O ATOM 641 CB CYS A 40 1.478 7.884 2.992 1.00 0.00 C ATOM 642 SG CYS A 40 0.966 7.206 4.588 1.00 0.00 S ATOM 0 H CYS A 40 -1.659 8.346 2.667 1.00 0.00 H new ATOM 0 HA CYS A 40 0.677 8.756 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.189 7.199 2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.004 8.824 3.160 1.00 0.00 H new ATOM 0 HG CYS A 40 0.198 6.175 4.395 1.00 0.00 H new ATOM 648 N SER A 41 -0.652 6.849 0.205 1.00 0.00 N ATOM 649 CA SER A 41 -1.154 5.653 -0.461 1.00 0.00 C ATOM 650 C SER A 41 -0.211 5.218 -1.579 1.00 0.00 C ATOM 651 O SER A 41 -0.388 4.158 -2.179 1.00 0.00 O ATOM 652 CB SER A 41 -2.552 5.908 -1.027 1.00 0.00 C ATOM 653 OG SER A 41 -2.808 7.296 -1.149 1.00 0.00 O ATOM 0 H SER A 41 -0.713 7.700 -0.354 1.00 0.00 H new ATOM 0 HA SER A 41 -1.209 4.852 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.645 5.431 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.299 5.453 -0.377 1.00 0.00 H new ATOM 0 HG SER A 41 -3.774 7.445 -1.222 1.00 0.00 H new ATOM 659 N VAL A 42 0.791 6.046 -1.855 1.00 0.00 N ATOM 660 CA VAL A 42 1.763 5.749 -2.901 1.00 0.00 C ATOM 661 C VAL A 42 2.981 5.031 -2.331 1.00 0.00 C ATOM 662 O VAL A 42 3.428 5.329 -1.223 1.00 0.00 O ATOM 663 CB VAL A 42 2.226 7.031 -3.619 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.721 8.058 -2.612 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.307 6.709 -4.639 1.00 0.00 C ATOM 0 H VAL A 42 0.951 6.928 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 42 1.265 5.099 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 42 1.374 7.458 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.044 8.957 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.915 8.310 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.560 7.644 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.622 7.626 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.161 6.258 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.913 6.012 -5.379 1.00 0.00 H new ATOM 675 N TYR A 43 3.514 4.084 -3.095 1.00 0.00 N ATOM 676 CA TYR A 43 4.680 3.322 -2.665 1.00 0.00 C ATOM 677 C TYR A 43 5.604 3.028 -3.843 1.00 0.00 C ATOM 678 O TYR A 43 5.187 3.075 -5.002 1.00 0.00 O ATOM 679 CB TYR A 43 4.245 2.012 -2.006 1.00 0.00 C ATOM 680 CG TYR A 43 3.230 2.199 -0.900 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.881 2.363 -1.189 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.621 2.210 0.433 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.951 2.535 -0.182 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.697 2.380 1.447 1.00 0.00 C ATOM 685 CZ TYR A 43 1.364 2.542 1.134 1.00 0.00 C ATOM 686 OH TYR A 43 0.440 2.712 2.140 1.00 0.00 O ATOM 0 H TYR A 43 3.157 3.826 -4.015 1.00 0.00 H new ATOM 0 HA TYR A 43 5.227 3.923 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.824 1.354 -2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.123 1.510 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.554 2.356 -2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.664 2.084 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.094 2.663 -0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.017 2.386 2.478 1.00 0.00 H new ATOM 0 HH TYR A 43 0.214 3.662 2.220 1.00 0.00 H new ATOM 696 N THR A 44 6.862 2.724 -3.540 1.00 0.00 N ATOM 697 CA THR A 44 7.846 2.423 -4.571 1.00 0.00 C ATOM 698 C THR A 44 8.077 0.921 -4.689 1.00 0.00 C ATOM 699 O THR A 44 8.167 0.215 -3.684 1.00 0.00 O ATOM 700 CB THR A 44 9.191 3.117 -4.285 1.00 0.00 C ATOM 701 OG1 THR A 44 8.971 4.328 -3.554 1.00 0.00 O ATOM 702 CG2 THR A 44 9.928 3.425 -5.579 1.00 0.00 C ATOM 0 H THR A 44 7.223 2.680 -2.587 1.00 0.00 H new ATOM 0 HA THR A 44 7.444 2.801 -5.511 1.00 0.00 H new ATOM 0 HB THR A 44 9.804 2.441 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.831 4.763 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.875 3.915 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.120 2.497 -6.118 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.318 4.084 -6.197 1.00 0.00 H new ATOM 710 N VAL A 45 8.173 0.436 -5.924 1.00 0.00 N ATOM 711 CA VAL A 45 8.396 -0.983 -6.173 1.00 0.00 C ATOM 712 C VAL A 45 9.706 -1.211 -6.918 1.00 0.00 C ATOM 713 O VAL A 45 9.909 -0.685 -8.012 1.00 0.00 O ATOM 714 CB VAL A 45 7.242 -1.598 -6.987 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.529 -3.058 -7.302 1.00 0.00 C ATOM 716 CG2 VAL A 45 5.926 -1.454 -6.237 1.00 0.00 C ATOM 0 H VAL A 45 8.100 1.006 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 45 8.445 -1.471 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 45 7.157 -1.058 -7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.703 -3.475 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.449 -3.131 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.642 -3.616 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.121 -1.894 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.996 -1.967 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.717 -0.398 -6.069 1.00 0.00 H new ATOM 726 N GLU A 46 10.592 -1.999 -6.318 1.00 0.00 N ATOM 727 CA GLU A 46 11.884 -2.297 -6.925 1.00 0.00 C ATOM 728 C GLU A 46 11.705 -2.940 -8.297 1.00 0.00 C ATOM 729 O GLU A 46 10.583 -3.109 -8.774 1.00 0.00 O ATOM 730 CB GLU A 46 12.698 -3.222 -6.019 1.00 0.00 C ATOM 731 CG GLU A 46 13.966 -2.583 -5.477 1.00 0.00 C ATOM 732 CD GLU A 46 15.054 -3.599 -5.189 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.893 -4.387 -4.234 1.00 0.00 O ATOM 734 OE2 GLU A 46 16.067 -3.606 -5.920 1.00 0.00 O ATOM 0 H GLU A 46 10.439 -2.443 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 46 12.422 -1.358 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.075 -3.538 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.964 -4.120 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.337 -1.853 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.732 -2.038 -4.563 1.00 0.00 H new ATOM 741 N SER A 47 12.820 -3.295 -8.928 1.00 0.00 N ATOM 742 CA SER A 47 12.787 -3.915 -10.247 1.00 0.00 C ATOM 743 C SER A 47 12.354 -5.375 -10.151 1.00 0.00 C ATOM 744 O SER A 47 11.606 -5.869 -10.994 1.00 0.00 O ATOM 745 CB SER A 47 14.162 -3.822 -10.912 1.00 0.00 C ATOM 746 OG SER A 47 14.081 -4.119 -12.295 1.00 0.00 O ATOM 0 H SER A 47 13.757 -3.164 -8.547 1.00 0.00 H new ATOM 0 HA SER A 47 12.059 -3.378 -10.855 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.568 -2.820 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.851 -4.514 -10.428 1.00 0.00 H new ATOM 0 HG SER A 47 14.972 -4.051 -12.697 1.00 0.00 H new ATOM 752 N GLY A 48 12.830 -6.060 -9.116 1.00 0.00 N ATOM 753 CA GLY A 48 12.482 -7.456 -8.928 1.00 0.00 C ATOM 754 C GLY A 48 11.816 -7.712 -7.591 1.00 0.00 C ATOM 755 O GLY A 48 12.468 -8.125 -6.631 1.00 0.00 O ATOM 0 H GLY A 48 13.450 -5.673 -8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.814 -7.772 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.383 -8.065 -9.005 1.00 0.00 H new ATOM 759 N THR A 49 10.511 -7.465 -7.525 1.00 0.00 N ATOM 760 CA THR A 49 9.755 -7.669 -6.295 1.00 0.00 C ATOM 761 C THR A 49 8.511 -8.511 -6.548 1.00 0.00 C ATOM 762 O THR A 49 8.094 -8.691 -7.691 1.00 0.00 O ATOM 763 CB THR A 49 9.335 -6.327 -5.666 1.00 0.00 C ATOM 764 OG1 THR A 49 10.326 -5.329 -5.932 1.00 0.00 O ATOM 765 CG2 THR A 49 9.142 -6.471 -4.164 1.00 0.00 C ATOM 0 H THR A 49 9.956 -7.123 -8.309 1.00 0.00 H new ATOM 0 HA THR A 49 10.412 -8.196 -5.603 1.00 0.00 H new ATOM 0 HB THR A 49 8.387 -6.023 -6.111 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.050 -4.479 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.846 -5.511 -3.742 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.365 -7.210 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.077 -6.796 -3.707 1.00 0.00 H new ATOM 773 N GLU A 50 7.921 -9.025 -5.472 1.00 0.00 N ATOM 774 CA GLU A 50 6.723 -9.849 -5.579 1.00 0.00 C ATOM 775 C GLU A 50 5.500 -9.101 -5.057 1.00 0.00 C ATOM 776 O GLU A 50 5.618 -8.187 -4.242 1.00 0.00 O ATOM 777 CB GLU A 50 6.905 -11.155 -4.803 1.00 0.00 C ATOM 778 CG GLU A 50 7.273 -12.339 -5.682 1.00 0.00 C ATOM 779 CD GLU A 50 6.181 -13.389 -5.735 1.00 0.00 C ATOM 780 OE1 GLU A 50 5.006 -13.012 -5.927 1.00 0.00 O ATOM 781 OE2 GLU A 50 6.500 -14.587 -5.583 1.00 0.00 O ATOM 0 H GLU A 50 8.253 -8.885 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 50 6.564 -10.079 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.682 -11.016 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.982 -11.382 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.481 -11.986 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.190 -12.793 -5.308 1.00 0.00 H new ATOM 788 N VAL A 51 4.324 -9.496 -5.534 1.00 0.00 N ATOM 789 CA VAL A 51 3.078 -8.864 -5.117 1.00 0.00 C ATOM 790 C VAL A 51 2.805 -9.112 -3.637 1.00 0.00 C ATOM 791 O VAL A 51 1.987 -8.428 -3.022 1.00 0.00 O ATOM 792 CB VAL A 51 1.883 -9.380 -5.941 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.656 -8.512 -5.704 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.236 -9.425 -7.420 1.00 0.00 C ATOM 0 H VAL A 51 4.208 -10.251 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 51 3.193 -7.794 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 51 1.650 -10.394 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.178 -8.892 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.392 -8.535 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.873 -7.486 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.381 -9.792 -7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.496 -8.423 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.085 -10.092 -7.571 1.00 0.00 H new ATOM 804 N THR A 52 3.496 -10.096 -3.070 1.00 0.00 N ATOM 805 CA THR A 52 3.329 -10.436 -1.663 1.00 0.00 C ATOM 806 C THR A 52 4.298 -9.648 -0.788 1.00 0.00 C ATOM 807 O THR A 52 4.076 -9.491 0.412 1.00 0.00 O ATOM 808 CB THR A 52 3.543 -11.941 -1.419 1.00 0.00 C ATOM 809 OG1 THR A 52 3.492 -12.222 -0.016 1.00 0.00 O ATOM 810 CG2 THR A 52 4.879 -12.397 -1.985 1.00 0.00 C ATOM 0 H THR A 52 4.177 -10.672 -3.565 1.00 0.00 H new ATOM 0 HA THR A 52 2.306 -10.174 -1.394 1.00 0.00 H new ATOM 0 HB THR A 52 2.747 -12.485 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.627 -13.181 0.131 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.007 -13.464 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.903 -12.209 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.686 -11.846 -1.502 1.00 0.00 H new ATOM 818 N GLU A 53 5.371 -9.155 -1.398 1.00 0.00 N ATOM 819 CA GLU A 53 6.374 -8.383 -0.673 1.00 0.00 C ATOM 820 C GLU A 53 5.813 -7.031 -0.241 1.00 0.00 C ATOM 821 O GLU A 53 6.186 -6.496 0.802 1.00 0.00 O ATOM 822 CB GLU A 53 7.617 -8.178 -1.540 1.00 0.00 C ATOM 823 CG GLU A 53 8.915 -8.160 -0.750 1.00 0.00 C ATOM 824 CD GLU A 53 9.507 -6.769 -0.633 1.00 0.00 C ATOM 825 OE1 GLU A 53 8.960 -5.955 0.141 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.516 -6.494 -1.314 1.00 0.00 O ATOM 0 H GLU A 53 5.568 -9.276 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 53 6.651 -8.944 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.666 -8.973 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.519 -7.238 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.734 -8.559 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.638 -8.819 -1.231 1.00 0.00 H new ATOM 833 N PHE A 54 4.913 -6.485 -1.053 1.00 0.00 N ATOM 834 CA PHE A 54 4.301 -5.195 -0.757 1.00 0.00 C ATOM 835 C PHE A 54 3.262 -5.327 0.353 1.00 0.00 C ATOM 836 O PHE A 54 2.855 -4.337 0.958 1.00 0.00 O ATOM 837 CB PHE A 54 3.650 -4.615 -2.014 1.00 0.00 C ATOM 838 CG PHE A 54 4.459 -4.829 -3.261 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.752 -4.338 -3.358 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.928 -5.522 -4.337 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.498 -4.533 -4.504 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.670 -5.721 -5.486 1.00 0.00 C ATOM 843 CZ PHE A 54 5.957 -5.227 -5.570 1.00 0.00 C ATOM 0 H PHE A 54 4.592 -6.916 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 54 5.085 -4.519 -0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.667 -5.067 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.492 -3.546 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.181 -3.797 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.922 -5.911 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.503 -4.143 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.244 -6.262 -6.318 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.539 -5.383 -6.466 1.00 0.00 H new ATOM 853 N ALA A 55 2.837 -6.560 0.612 1.00 0.00 N ATOM 854 CA ALA A 55 1.847 -6.823 1.649 1.00 0.00 C ATOM 855 C ALA A 55 2.453 -6.669 3.040 1.00 0.00 C ATOM 856 O ALA A 55 1.745 -6.726 4.046 1.00 0.00 O ATOM 857 CB ALA A 55 1.262 -8.218 1.478 1.00 0.00 C ATOM 0 H ALA A 55 3.163 -7.391 0.118 1.00 0.00 H new ATOM 0 HA ALA A 55 1.047 -6.089 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.524 -8.401 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.784 -8.295 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.059 -8.958 1.551 1.00 0.00 H new ATOM 863 N CYS A 56 3.766 -6.474 3.089 1.00 0.00 N ATOM 864 CA CYS A 56 4.468 -6.313 4.357 1.00 0.00 C ATOM 865 C CYS A 56 4.999 -4.891 4.508 1.00 0.00 C ATOM 866 O CYS A 56 5.370 -4.468 5.603 1.00 0.00 O ATOM 867 CB CYS A 56 5.620 -7.314 4.457 1.00 0.00 C ATOM 868 SG CYS A 56 5.636 -8.270 5.992 1.00 0.00 S ATOM 0 H CYS A 56 4.366 -6.424 2.265 1.00 0.00 H new ATOM 0 HA CYS A 56 3.759 -6.504 5.163 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.564 -8.002 3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.564 -6.776 4.367 1.00 0.00 H new ATOM 0 HG CYS A 56 6.645 -9.090 5.982 1.00 0.00 H new ATOM 874 N VAL A 57 5.034 -4.157 3.400 1.00 0.00 N ATOM 875 CA VAL A 57 5.521 -2.783 3.408 1.00 0.00 C ATOM 876 C VAL A 57 4.368 -1.791 3.295 1.00 0.00 C ATOM 877 O VAL A 57 4.450 -0.669 3.794 1.00 0.00 O ATOM 878 CB VAL A 57 6.514 -2.532 2.257 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.783 -2.476 0.924 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.297 -1.251 2.500 1.00 0.00 C ATOM 0 H VAL A 57 4.731 -4.491 2.485 1.00 0.00 H new ATOM 0 HA VAL A 57 6.033 -2.634 4.359 1.00 0.00 H new ATOM 0 HB VAL A 57 7.221 -3.361 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.500 -2.298 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.272 -3.423 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.053 -1.667 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.994 -1.089 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.607 -0.409 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.852 -1.335 3.434 1.00 0.00 H new ATOM 890 N VAL A 58 3.293 -2.214 2.637 1.00 0.00 N ATOM 891 CA VAL A 58 2.122 -1.364 2.460 1.00 0.00 C ATOM 892 C VAL A 58 1.212 -1.420 3.682 1.00 0.00 C ATOM 893 O VAL A 58 0.410 -0.516 3.913 1.00 0.00 O ATOM 894 CB VAL A 58 1.315 -1.773 1.214 1.00 0.00 C ATOM 895 CG1 VAL A 58 0.080 -0.897 1.066 1.00 0.00 C ATOM 896 CG2 VAL A 58 2.185 -1.696 -0.032 1.00 0.00 C ATOM 0 H VAL A 58 3.209 -3.140 2.218 1.00 0.00 H new ATOM 0 HA VAL A 58 2.487 -0.345 2.329 1.00 0.00 H new ATOM 0 HB VAL A 58 0.986 -2.805 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.478 -1.201 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.552 -1.007 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.383 0.145 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.599 -1.988 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.545 -0.675 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.035 -2.369 0.076 1.00 0.00 H new ATOM 906 N ALA A 59 1.344 -2.488 4.462 1.00 0.00 N ATOM 907 CA ALA A 59 0.536 -2.661 5.663 1.00 0.00 C ATOM 908 C ALA A 59 1.178 -1.970 6.861 1.00 0.00 C ATOM 909 O ALA A 59 0.601 -1.931 7.947 1.00 0.00 O ATOM 910 CB ALA A 59 0.330 -4.141 5.951 1.00 0.00 C ATOM 0 H ALA A 59 2.003 -3.246 4.284 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.435 -2.198 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.275 -4.256 6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.180 -4.608 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.297 -4.621 6.101 1.00 0.00 H new ATOM 916 N GLU A 60 2.374 -1.429 6.655 1.00 0.00 N ATOM 917 CA GLU A 60 3.094 -0.741 7.721 1.00 0.00 C ATOM 918 C GLU A 60 2.729 0.740 7.756 1.00 0.00 C ATOM 919 O GLU A 60 2.152 1.225 8.729 1.00 0.00 O ATOM 920 CB GLU A 60 4.604 -0.902 7.533 1.00 0.00 C ATOM 921 CG GLU A 60 5.286 -1.628 8.679 1.00 0.00 C ATOM 922 CD GLU A 60 6.504 -0.887 9.197 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.339 -0.467 8.370 1.00 0.00 O ATOM 924 OE2 GLU A 60 6.621 -0.728 10.430 1.00 0.00 O ATOM 0 H GLU A 60 2.865 -1.453 5.761 1.00 0.00 H new ATOM 0 HA GLU A 60 2.804 -1.191 8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.790 -1.446 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.055 0.084 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.574 -1.763 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.584 -2.623 8.348 1.00 0.00 H new ATOM 931 N ALA A 61 3.071 1.453 6.688 1.00 0.00 N ATOM 932 CA ALA A 61 2.779 2.878 6.595 1.00 0.00 C ATOM 933 C ALA A 61 1.310 3.158 6.894 1.00 0.00 C ATOM 934 O ALA A 61 0.983 4.081 7.641 1.00 0.00 O ATOM 935 CB ALA A 61 3.148 3.404 5.215 1.00 0.00 C ATOM 0 H ALA A 61 3.551 1.067 5.875 1.00 0.00 H new ATOM 0 HA ALA A 61 3.380 3.396 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.925 4.469 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.212 3.247 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.572 2.873 4.457 1.00 0.00 H new ATOM 941 N VAL A 62 0.428 2.356 6.307 1.00 0.00 N ATOM 942 CA VAL A 62 -1.007 2.518 6.511 1.00 0.00 C ATOM 943 C VAL A 62 -1.359 2.475 7.994 1.00 0.00 C ATOM 944 O VAL A 62 -2.377 3.022 8.418 1.00 0.00 O ATOM 945 CB VAL A 62 -1.805 1.426 5.774 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.717 1.624 4.269 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.307 0.044 6.168 1.00 0.00 C ATOM 0 H VAL A 62 0.682 1.587 5.686 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.277 3.492 6.104 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.852 1.507 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.287 0.843 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.127 2.599 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.674 1.572 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.882 -0.715 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.253 -0.051 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.428 -0.094 7.242 1.00 0.00 H new ATOM 957 N VAL A 63 -0.509 1.822 8.780 1.00 0.00 N ATOM 958 CA VAL A 63 -0.729 1.709 10.217 1.00 0.00 C ATOM 959 C VAL A 63 -0.193 2.932 10.953 1.00 0.00 C ATOM 960 O VAL A 63 -0.946 3.660 11.600 1.00 0.00 O ATOM 961 CB VAL A 63 -0.059 0.445 10.790 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.088 0.468 12.310 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.738 -0.806 10.254 1.00 0.00 C ATOM 0 H VAL A 63 0.338 1.363 8.446 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.806 1.641 10.368 1.00 0.00 H new ATOM 0 HB VAL A 63 0.983 0.430 10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.389 -0.432 12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.447 1.346 12.671 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.122 0.507 12.654 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.253 -1.689 10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.789 -0.801 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.659 -0.825 9.167 1.00 0.00 H new ATOM 973 N LYS A 64 1.113 3.154 10.848 1.00 0.00 N ATOM 974 CA LYS A 64 1.751 4.290 11.502 1.00 0.00 C ATOM 975 C LYS A 64 1.135 5.604 11.033 1.00 0.00 C ATOM 976 O LYS A 64 1.252 6.631 11.702 1.00 0.00 O ATOM 977 CB LYS A 64 3.255 4.290 11.217 1.00 0.00 C ATOM 978 CG LYS A 64 3.597 4.058 9.756 1.00 0.00 C ATOM 979 CD LYS A 64 4.555 2.891 9.586 1.00 0.00 C ATOM 980 CE LYS A 64 5.848 3.114 10.355 1.00 0.00 C ATOM 981 NZ LYS A 64 7.047 2.842 9.515 1.00 0.00 N ATOM 0 H LYS A 64 1.750 2.562 10.316 1.00 0.00 H new ATOM 0 HA LYS A 64 1.590 4.196 12.576 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.676 5.244 11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.731 3.517 11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.683 3.865 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.044 4.960 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.078 1.974 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.779 2.754 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.883 4.142 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.865 2.467 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.908 3.005 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.027 1.854 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.045 3.476 8.691 1.00 0.00 H new ATOM 995 N THR A 65 0.475 5.565 9.879 1.00 0.00 N ATOM 996 CA THR A 65 -0.160 6.752 9.321 1.00 0.00 C ATOM 997 C THR A 65 -1.619 6.848 9.750 1.00 0.00 C ATOM 998 O THR A 65 -2.328 7.781 9.372 1.00 0.00 O ATOM 999 CB THR A 65 -0.088 6.757 7.782 1.00 0.00 C ATOM 1000 OG1 THR A 65 -0.190 8.098 7.291 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.200 5.907 7.185 1.00 0.00 C ATOM 0 H THR A 65 0.367 4.723 9.313 1.00 0.00 H new ATOM 0 HA THR A 65 0.387 7.613 9.706 1.00 0.00 H new ATOM 0 HB THR A 65 0.871 6.333 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.151 8.137 6.373 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.129 5.926 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.102 4.880 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.167 6.305 7.492 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.063 5.878 10.542 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.439 5.854 11.025 1.00 0.00 C ATOM 1011 C LEU A 66 -3.487 5.557 12.520 1.00 0.00 C ATOM 1012 O LEU A 66 -4.157 4.620 12.954 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.250 4.807 10.259 1.00 0.00 C ATOM 1014 CG LEU A 66 -5.587 5.280 9.687 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -5.590 5.165 8.171 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.736 4.482 10.287 1.00 0.00 C ATOM 0 H LEU A 66 -1.490 5.098 10.863 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.875 6.839 10.855 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.639 4.432 9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.440 3.965 10.925 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.723 6.329 9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.549 5.506 7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.791 5.781 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.431 4.125 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.680 4.832 9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.606 3.425 10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.747 4.617 11.369 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.775 6.362 13.301 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.738 6.186 14.748 1.00 0.00 C ATOM 1030 C GLN A 67 -3.130 7.474 15.464 1.00 0.00 C ATOM 1031 O GLN A 67 -2.585 7.822 16.511 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.343 5.745 15.194 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.644 4.837 14.195 1.00 0.00 C ATOM 1034 CD GLN A 67 0.514 4.075 14.810 1.00 0.00 C ATOM 1035 OE1 GLN A 67 0.528 2.761 14.615 1.00 0.00 O flip ATOM 1036 NE2 GLN A 67 1.386 4.661 15.452 1.00 0.00 N flip ATOM 0 H GLN A 67 -2.216 7.142 12.956 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.458 5.412 15.012 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.728 6.629 15.361 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.423 5.227 16.150 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.365 4.128 13.788 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.278 5.435 13.360 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.335 5.672 15.577 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.159 4.135 15.859 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.098 8.202 14.887 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.585 9.463 15.452 1.00 0.00 C ATOM 1047 C PRO A 68 -5.374 9.255 16.740 1.00 0.00 C ATOM 1048 O PRO A 68 -5.196 9.986 17.715 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.493 10.019 14.353 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.939 8.820 13.589 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.793 7.848 13.637 1.00 0.00 C ATOM 0 HA PRO A 68 -3.767 10.129 15.724 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.341 10.558 14.775 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.957 10.720 13.713 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.836 8.387 14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.185 9.082 12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.142 6.815 13.650 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.140 7.953 12.770 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.246 8.252 16.739 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.062 7.946 17.908 1.00 0.00 C ATOM 1061 C VAL A 69 -7.466 6.476 17.927 1.00 0.00 C ATOM 1062 O VAL A 69 -8.652 6.148 17.912 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.332 8.817 17.949 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.997 10.229 18.406 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -9.010 8.835 16.588 1.00 0.00 C ATOM 0 H VAL A 69 -6.406 7.637 15.941 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.453 8.163 18.785 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.026 8.383 18.669 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.906 10.829 18.429 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.560 10.194 19.404 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.284 10.676 17.713 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.905 9.455 16.636 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.325 9.244 15.845 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.287 7.819 16.306 1.00 0.00 H new ATOM 1075 N SER A 70 -6.471 5.595 17.960 1.00 0.00 N ATOM 1076 CA SER A 70 -6.722 4.159 17.978 1.00 0.00 C ATOM 1077 C SER A 70 -7.337 3.732 19.308 1.00 0.00 C ATOM 1078 O SER A 70 -7.806 2.603 19.453 1.00 0.00 O ATOM 1079 CB SER A 70 -5.423 3.390 17.733 1.00 0.00 C ATOM 1080 OG SER A 70 -4.322 4.039 18.345 1.00 0.00 O ATOM 0 H SER A 70 -5.484 5.851 17.975 1.00 0.00 H new ATOM 0 HA SER A 70 -7.428 3.928 17.180 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.517 2.378 18.126 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.246 3.301 16.661 1.00 0.00 H new ATOM 0 HG SER A 70 -3.504 3.526 18.175 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.330 4.642 20.275 1.00 0.00 N ATOM 1087 CA ASP A 71 -7.886 4.361 21.593 1.00 0.00 C ATOM 1088 C ASP A 71 -9.392 4.131 21.510 1.00 0.00 C ATOM 1089 O ASP A 71 -10.005 3.612 22.444 1.00 0.00 O ATOM 1090 CB ASP A 71 -7.587 5.514 22.553 1.00 0.00 C ATOM 1091 CG ASP A 71 -6.111 5.856 22.604 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -5.282 4.936 22.439 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -5.784 7.044 22.808 1.00 0.00 O ATOM 0 H ASP A 71 -6.945 5.581 20.171 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.417 3.452 21.971 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.151 6.395 22.245 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.930 5.249 23.553 1.00 0.00 H new ATOM 1098 N LEU A 72 -9.983 4.521 20.385 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.418 4.358 20.179 1.00 0.00 C ATOM 1100 C LEU A 72 -11.707 3.154 19.289 1.00 0.00 C ATOM 1101 O LEU A 72 -12.678 2.427 19.505 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.010 5.623 19.555 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.716 5.839 18.070 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.804 5.210 17.213 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.585 7.324 17.763 1.00 0.00 C ATOM 0 H LEU A 72 -9.491 4.952 19.602 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.883 4.188 21.150 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.091 5.600 19.691 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.638 6.485 20.108 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.769 5.354 17.833 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.578 5.374 16.159 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.850 4.139 17.412 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.765 5.665 17.453 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.376 7.459 16.702 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.516 7.832 18.017 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.770 7.746 18.350 1.00 0.00 H new ATOM 1117 N LEU A 73 -10.858 2.948 18.288 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.021 1.830 17.365 1.00 0.00 C ATOM 1119 C LEU A 73 -11.060 0.504 18.118 1.00 0.00 C ATOM 1120 O LEU A 73 -11.759 -0.429 17.719 1.00 0.00 O ATOM 1121 CB LEU A 73 -9.882 1.816 16.344 1.00 0.00 C ATOM 1122 CG LEU A 73 -9.647 3.122 15.583 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -8.517 2.958 14.578 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -10.923 3.570 14.886 1.00 0.00 C ATOM 0 H LEU A 73 -10.050 3.540 18.095 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.969 1.958 16.842 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.960 1.549 16.861 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.080 1.027 15.619 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.359 3.891 16.300 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.364 3.897 14.046 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.601 2.684 15.102 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.775 2.175 13.865 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.737 4.501 14.350 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.241 2.802 14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.706 3.729 15.627 1.00 0.00 H new ATOM 1136 N THR A 74 -10.306 0.426 19.210 1.00 0.00 N ATOM 1137 CA THR A 74 -10.255 -0.785 20.019 1.00 0.00 C ATOM 1138 C THR A 74 -11.521 -0.942 20.854 1.00 0.00 C ATOM 1139 O THR A 74 -11.814 -2.026 21.355 1.00 0.00 O ATOM 1140 CB THR A 74 -9.032 -0.784 20.956 1.00 0.00 C ATOM 1141 OG1 THR A 74 -8.210 0.357 20.686 1.00 0.00 O ATOM 1142 CG2 THR A 74 -8.216 -2.055 20.782 1.00 0.00 C ATOM 0 H THR A 74 -9.722 1.188 19.554 1.00 0.00 H new ATOM 0 HA THR A 74 -10.173 -1.624 19.328 1.00 0.00 H new ATOM 0 HB THR A 74 -9.390 -0.739 21.985 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.902 0.326 19.756 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.358 -2.031 21.454 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.836 -2.920 21.016 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.868 -2.126 19.751 1.00 0.00 H new ATOM 1150 N ASN A 75 -12.267 0.149 20.999 1.00 0.00 N ATOM 1151 CA ASN A 75 -13.502 0.131 21.775 1.00 0.00 C ATOM 1152 C ASN A 75 -14.649 -0.455 20.957 1.00 0.00 C ATOM 1153 O ASN A 75 -15.653 -0.902 21.511 1.00 0.00 O ATOM 1154 CB ASN A 75 -13.860 1.546 22.234 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.160 2.039 21.629 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -16.242 1.578 21.994 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -15.060 2.981 20.699 1.00 0.00 N ATOM 0 H ASN A 75 -12.038 1.055 20.590 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.344 -0.499 22.650 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.939 1.563 23.321 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.054 2.228 21.962 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.901 3.352 20.256 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.142 3.334 20.427 1.00 0.00 H new ATOM 1164 N MET A 76 -14.491 -0.450 19.638 1.00 0.00 N ATOM 1165 CA MET A 76 -15.513 -0.984 18.744 1.00 0.00 C ATOM 1166 C MET A 76 -15.120 -2.366 18.233 1.00 0.00 C ATOM 1167 O MET A 76 -15.977 -3.176 17.883 1.00 0.00 O ATOM 1168 CB MET A 76 -15.735 -0.035 17.565 1.00 0.00 C ATOM 1169 CG MET A 76 -14.450 0.380 16.867 1.00 0.00 C ATOM 1170 SD MET A 76 -14.748 1.164 15.271 1.00 0.00 S ATOM 1171 CE MET A 76 -14.409 2.877 15.667 1.00 0.00 C ATOM 0 H MET A 76 -13.666 -0.083 19.164 1.00 0.00 H new ATOM 0 HA MET A 76 -16.442 -1.076 19.307 1.00 0.00 H new ATOM 0 HB2 MET A 76 -16.393 -0.516 16.841 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.250 0.858 17.920 1.00 0.00 H new ATOM 0 HG2 MET A 76 -13.899 1.068 17.508 1.00 0.00 H new ATOM 0 HG3 MET A 76 -13.819 -0.497 16.724 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.331 3.455 15.600 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.011 2.944 16.679 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.679 3.276 14.963 1.00 0.00 H new ATOM 1181 N GLY A 77 -13.817 -2.629 18.192 1.00 0.00 N ATOM 1182 CA GLY A 77 -13.334 -3.913 17.721 1.00 0.00 C ATOM 1183 C GLY A 77 -12.151 -3.780 16.782 1.00 0.00 C ATOM 1184 O GLY A 77 -11.262 -4.631 16.768 1.00 0.00 O ATOM 0 H GLY A 77 -13.088 -1.975 18.477 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.048 -4.526 18.576 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.142 -4.436 17.210 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.142 -2.710 15.994 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.060 -2.469 15.047 1.00 0.00 C ATOM 1190 C ILE A 78 -9.716 -2.374 15.761 1.00 0.00 C ATOM 1191 O ILE A 78 -9.541 -1.564 16.672 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.293 -1.176 14.243 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.610 -1.263 13.468 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.130 -0.925 13.295 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.918 -0.022 12.660 1.00 0.00 C ATOM 0 H ILE A 78 -12.871 -1.997 15.992 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.046 -3.316 14.361 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.356 -0.339 14.938 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.572 -2.123 12.799 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.424 -1.441 14.170 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.309 -0.008 12.734 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.208 -0.825 13.868 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.038 -1.762 12.603 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.865 -0.154 12.137 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.988 0.838 13.326 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.123 0.146 11.934 1.00 0.00 H new ATOM 1207 N ASP A 79 -8.768 -3.205 15.341 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.438 -3.213 15.937 1.00 0.00 C ATOM 1209 C ASP A 79 -6.388 -2.754 14.931 1.00 0.00 C ATOM 1210 O ASP A 79 -6.460 -3.087 13.747 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.094 -4.612 16.450 1.00 0.00 C ATOM 1212 CG ASP A 79 -6.655 -4.606 17.901 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -5.545 -4.108 18.183 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.421 -5.099 18.754 1.00 0.00 O ATOM 0 H ASP A 79 -8.897 -3.882 14.589 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.439 -2.517 16.776 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.963 -5.260 16.339 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.300 -5.036 15.835 1.00 0.00 H new ATOM 1219 N LEU A 80 -5.414 -1.987 15.408 1.00 0.00 N ATOM 1220 CA LEU A 80 -4.348 -1.481 14.549 1.00 0.00 C ATOM 1221 C LEU A 80 -3.161 -2.438 14.533 1.00 0.00 C ATOM 1222 O LEU A 80 -2.498 -2.603 13.509 1.00 0.00 O ATOM 1223 CB LEU A 80 -3.897 -0.099 15.024 1.00 0.00 C ATOM 1224 CG LEU A 80 -3.767 0.974 13.942 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -5.105 1.657 13.704 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -2.706 1.994 14.327 1.00 0.00 C ATOM 0 H LEU A 80 -5.340 -1.702 16.384 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.739 -1.400 13.535 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.605 0.254 15.774 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.932 -0.205 15.520 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.459 0.492 13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.993 2.417 12.931 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.839 0.918 13.382 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.444 2.126 14.628 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.627 2.750 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.984 2.471 15.267 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.745 1.493 14.445 1.00 0.00 H new ATOM 1238 N ASP A 81 -2.900 -3.068 15.673 1.00 0.00 N ATOM 1239 CA ASP A 81 -1.794 -4.012 15.789 1.00 0.00 C ATOM 1240 C ASP A 81 -2.012 -5.218 14.881 1.00 0.00 C ATOM 1241 O ASP A 81 -1.082 -5.976 14.608 1.00 0.00 O ATOM 1242 CB ASP A 81 -1.639 -4.472 17.240 1.00 0.00 C ATOM 1243 CG ASP A 81 -0.287 -4.107 17.821 1.00 0.00 C ATOM 1244 OD1 ASP A 81 0.241 -3.033 17.465 1.00 0.00 O ATOM 1245 OD2 ASP A 81 0.243 -4.896 18.631 1.00 0.00 O ATOM 0 H ASP A 81 -3.439 -2.942 16.530 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.881 -3.505 15.477 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.425 -4.023 17.847 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.774 -5.552 17.292 1.00 0.00 H new ATOM 1250 N GLU A 82 -3.246 -5.388 14.417 1.00 0.00 N ATOM 1251 CA GLU A 82 -3.585 -6.504 13.541 1.00 0.00 C ATOM 1252 C GLU A 82 -3.390 -6.123 12.076 1.00 0.00 C ATOM 1253 O GLU A 82 -3.081 -6.972 11.240 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.031 -6.945 13.777 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.052 -6.123 13.009 1.00 0.00 C ATOM 1256 CD GLU A 82 -7.425 -6.151 13.650 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -7.623 -6.946 14.594 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.303 -5.380 13.209 1.00 0.00 O ATOM 0 H GLU A 82 -4.027 -4.768 14.633 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.917 -7.333 13.775 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.133 -7.992 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.252 -6.880 14.842 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.707 -5.091 12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.124 -6.501 11.989 1.00 0.00 H new ATOM 1265 N TRP A 83 -3.575 -4.843 11.774 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.420 -4.350 10.410 1.00 0.00 C ATOM 1267 C TRP A 83 -2.091 -4.802 9.815 1.00 0.00 C ATOM 1268 O TRP A 83 -2.031 -5.234 8.665 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.512 -2.823 10.385 1.00 0.00 C ATOM 1270 CG TRP A 83 -4.920 -2.312 10.450 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.019 -2.991 10.891 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.378 -1.013 10.059 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.134 -2.193 10.798 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.767 -0.974 10.291 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.751 0.122 9.538 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.536 0.154 10.019 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.515 1.240 9.267 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.896 1.250 9.509 1.00 0.00 C ATOM 0 H TRP A 83 -3.832 -4.128 12.454 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.226 -4.766 9.806 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.947 -2.418 11.225 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.040 -2.452 9.475 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.013 -4.006 11.259 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.081 -2.464 11.063 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.687 0.125 9.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.600 0.163 10.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.041 2.122 8.862 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.466 2.141 9.288 1.00 0.00 H new ATOM 1289 N SER A 84 -1.028 -4.698 10.606 1.00 0.00 N ATOM 1290 CA SER A 84 0.302 -5.093 10.156 1.00 0.00 C ATOM 1291 C SER A 84 0.372 -6.600 9.926 1.00 0.00 C ATOM 1292 O SER A 84 0.913 -7.062 8.922 1.00 0.00 O ATOM 1293 CB SER A 84 1.357 -4.672 11.180 1.00 0.00 C ATOM 1294 OG SER A 84 2.324 -3.818 10.594 1.00 0.00 O ATOM 0 H SER A 84 -1.062 -4.344 11.562 1.00 0.00 H new ATOM 0 HA SER A 84 0.503 -4.589 9.211 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.875 -4.163 12.015 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.847 -5.557 11.587 1.00 0.00 H new ATOM 0 HG SER A 84 2.986 -3.562 11.269 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.179 -7.361 10.866 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.180 -8.816 10.767 1.00 0.00 C ATOM 1302 C VAL A 85 -1.503 -9.328 10.207 1.00 0.00 C ATOM 1303 O VAL A 85 -1.988 -10.387 10.603 1.00 0.00 O ATOM 1304 CB VAL A 85 0.072 -9.472 12.138 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -1.173 -9.387 13.008 1.00 0.00 C ATOM 1306 CG2 VAL A 85 0.513 -10.917 11.963 1.00 0.00 C ATOM 0 H VAL A 85 -0.630 -6.995 11.704 1.00 0.00 H new ATOM 0 HA VAL A 85 0.628 -9.088 10.088 1.00 0.00 H new ATOM 0 HB VAL A 85 0.873 -8.930 12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.976 -9.856 13.972 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.440 -8.341 13.160 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.997 -9.903 12.516 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.687 -11.365 12.941 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.265 -11.474 11.441 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.434 -10.948 11.381 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.081 -8.568 9.283 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.346 -8.945 8.665 1.00 0.00 C ATOM 1318 C ALA A 86 -3.125 -9.543 7.280 1.00 0.00 C ATOM 1319 O ALA A 86 -1.991 -9.650 6.812 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.273 -7.741 8.581 1.00 0.00 C ATOM 0 H ALA A 86 -1.693 -7.687 8.946 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.813 -9.706 9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.214 -8.038 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.467 -7.360 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.803 -6.961 7.982 1.00 0.00 H new ATOM 1326 N THR A 87 -4.216 -9.931 6.627 1.00 0.00 N ATOM 1327 CA THR A 87 -4.140 -10.520 5.296 1.00 0.00 C ATOM 1328 C THR A 87 -4.485 -9.495 4.221 1.00 0.00 C ATOM 1329 O THR A 87 -5.649 -9.334 3.853 1.00 0.00 O ATOM 1330 CB THR A 87 -5.088 -11.727 5.161 1.00 0.00 C ATOM 1331 OG1 THR A 87 -5.022 -12.535 6.340 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.726 -12.566 3.944 1.00 0.00 C ATOM 0 H THR A 87 -5.162 -9.848 6.998 1.00 0.00 H new ATOM 0 HA THR A 87 -3.113 -10.857 5.157 1.00 0.00 H new ATOM 0 HB THR A 87 -6.103 -11.351 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.629 -13.299 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.409 -13.412 3.869 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.805 -11.955 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.704 -12.932 4.045 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.466 -8.804 3.720 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.662 -7.794 2.687 1.00 0.00 C ATOM 1342 C PHE A 88 -3.552 -8.410 1.296 1.00 0.00 C ATOM 1343 O PHE A 88 -2.489 -8.889 0.899 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.635 -6.670 2.842 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.070 -5.586 3.786 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.647 -5.902 5.006 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -2.903 -4.251 3.454 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.048 -4.907 5.878 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.302 -3.252 4.322 1.00 0.00 C ATOM 1350 CZ PHE A 88 -3.876 -3.580 5.534 1.00 0.00 C ATOM 0 H PHE A 88 -2.496 -8.925 4.013 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.664 -7.381 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.695 -7.094 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.438 -6.231 1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.785 -6.938 5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.456 -3.988 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.495 -5.167 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.165 -2.215 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.190 -2.800 6.212 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.658 -8.396 0.560 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.688 -8.956 -0.786 1.00 0.00 C ATOM 1362 C TYR A 89 -4.557 -7.857 -1.836 1.00 0.00 C ATOM 1363 O TYR A 89 -5.365 -6.929 -1.885 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.984 -9.737 -1.007 1.00 0.00 C ATOM 1365 CG TYR A 89 -6.053 -11.029 -0.226 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.325 -12.144 -0.624 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.848 -11.137 0.909 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.385 -13.327 0.087 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.913 -12.316 1.626 1.00 0.00 C ATOM 1370 CZ TYR A 89 -6.181 -13.408 1.211 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.244 -14.585 1.921 1.00 0.00 O ATOM 0 H TYR A 89 -5.546 -8.003 0.873 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.841 -9.634 -0.889 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.829 -9.108 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.088 -9.958 -2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.702 -12.085 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.425 -10.285 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.812 -14.184 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.534 -12.382 2.507 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.394 -15.065 1.835 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.533 -7.969 -2.676 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.295 -6.986 -3.727 1.00 0.00 C ATOM 1383 C LEU A 90 -4.117 -7.309 -4.971 1.00 0.00 C ATOM 1384 O LEU A 90 -4.389 -8.474 -5.263 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.808 -6.941 -4.083 1.00 0.00 C ATOM 1386 CG LEU A 90 -0.896 -6.250 -3.068 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.414 -4.857 -2.747 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.780 -7.083 -1.800 1.00 0.00 C ATOM 0 H LEU A 90 -2.855 -8.730 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.603 -6.009 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.457 -7.964 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.700 -6.435 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 90 0.097 -6.154 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.753 -4.381 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.444 -4.261 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.418 -4.930 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.127 -6.575 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.768 -7.211 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.362 -8.060 -2.043 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.509 -6.270 -5.701 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.299 -6.443 -6.914 1.00 0.00 C ATOM 1402 C PHE A 91 -5.047 -5.301 -7.894 1.00 0.00 C ATOM 1403 O PHE A 91 -4.463 -4.278 -7.536 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.788 -6.516 -6.572 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.348 -7.909 -6.629 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.317 -8.729 -5.512 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.906 -8.398 -7.799 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.831 -10.011 -5.562 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.422 -9.679 -7.855 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.385 -10.486 -6.735 1.00 0.00 C ATOM 0 H PHE A 91 -4.292 -5.300 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.995 -7.378 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.943 -6.111 -5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.343 -5.881 -7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.886 -8.362 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.938 -7.771 -8.678 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.800 -10.641 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.854 -10.048 -8.774 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.789 -11.487 -6.776 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.490 -5.484 -9.133 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.313 -4.470 -10.166 1.00 0.00 C ATOM 1422 C ASP A 92 -6.654 -4.085 -10.784 1.00 0.00 C ATOM 1423 O ASP A 92 -7.712 -4.443 -10.268 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.364 -4.979 -11.253 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.191 -4.045 -11.479 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.321 -3.960 -10.588 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.143 -3.400 -12.547 1.00 0.00 O ATOM 0 H ASP A 92 -5.974 -6.325 -9.446 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.879 -3.585 -9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.992 -5.965 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.915 -5.098 -12.186 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.600 -3.353 -11.891 1.00 0.00 N ATOM 1433 CA ASP A 93 -7.810 -2.919 -12.580 1.00 0.00 C ATOM 1434 C ASP A 93 -8.354 -4.028 -13.475 1.00 0.00 C ATOM 1435 O ASP A 93 -9.375 -3.858 -14.140 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.528 -1.667 -13.413 1.00 0.00 C ATOM 1437 CG ASP A 93 -6.769 -1.979 -14.688 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -7.423 -2.279 -15.708 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -5.522 -1.924 -14.665 1.00 0.00 O ATOM 0 H ASP A 93 -5.732 -3.048 -12.331 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.562 -2.683 -11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.471 -1.181 -13.664 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.954 -0.959 -12.816 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.664 -5.164 -13.487 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.078 -6.301 -14.299 1.00 0.00 C ATOM 1446 C ALA A 94 -8.523 -7.468 -13.424 1.00 0.00 C ATOM 1447 O ALA A 94 -8.839 -8.546 -13.924 1.00 0.00 O ATOM 1448 CB ALA A 94 -6.946 -6.731 -15.220 1.00 0.00 C ATOM 0 H ALA A 94 -6.815 -5.321 -12.943 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.929 -5.992 -14.906 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.269 -7.581 -15.821 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.677 -5.904 -15.877 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.080 -7.017 -14.623 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.544 -7.244 -12.113 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.950 -8.287 -11.189 1.00 0.00 C ATOM 1456 C GLY A 95 -7.876 -9.339 -10.993 1.00 0.00 C ATOM 1457 O GLY A 95 -8.174 -10.530 -10.910 1.00 0.00 O ATOM 0 H GLY A 95 -8.287 -6.359 -11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.196 -7.839 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.857 -8.763 -11.560 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.624 -8.898 -10.919 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.503 -9.811 -10.734 1.00 0.00 C ATOM 1463 C GLU A 96 -4.456 -9.205 -9.804 1.00 0.00 C ATOM 1464 O GLU A 96 -4.414 -7.991 -9.608 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.866 -10.152 -12.083 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.259 -8.953 -12.790 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.586 -9.325 -14.097 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.617 -10.519 -14.462 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.028 -8.422 -14.755 1.00 0.00 O ATOM 0 H GLU A 96 -6.361 -7.915 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.884 -10.725 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.091 -10.903 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.621 -10.600 -12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.039 -8.217 -12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.530 -8.479 -12.133 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.614 -10.061 -9.233 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.568 -9.610 -8.322 1.00 0.00 C ATOM 1478 C GLU A 97 -1.373 -9.061 -9.096 1.00 0.00 C ATOM 1479 O GLU A 97 -0.405 -9.776 -9.353 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.119 -10.759 -7.417 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.544 -10.594 -5.968 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.082 -11.741 -5.090 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -1.841 -12.841 -5.628 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -1.963 -11.537 -3.863 1.00 0.00 O ATOM 0 H GLU A 97 -3.636 -11.069 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.978 -8.810 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.526 -11.694 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.033 -10.842 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.141 -9.659 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.630 -10.518 -5.918 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.449 -7.786 -9.464 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.374 -7.141 -10.209 1.00 0.00 C ATOM 1493 C ASN A 98 0.127 -5.900 -9.476 1.00 0.00 C ATOM 1494 O ASN A 98 -0.496 -5.437 -8.520 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.855 -6.760 -11.611 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.556 -7.836 -12.637 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.151 -9.009 -12.454 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.201 -7.614 -13.583 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.243 -7.180 -9.259 1.00 0.00 H new ATOM 0 HA ASN A 98 0.451 -7.848 -10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.929 -6.574 -11.586 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.377 -5.829 -11.915 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.636 -6.697 -13.684 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.393 -8.347 -14.266 1.00 0.00 H new ATOM 1505 N PHE A 99 1.255 -5.365 -9.932 1.00 0.00 N ATOM 1506 CA PHE A 99 1.840 -4.178 -9.320 1.00 0.00 C ATOM 1507 C PHE A 99 1.891 -3.022 -10.314 1.00 0.00 C ATOM 1508 O PHE A 99 2.956 -2.467 -10.584 1.00 0.00 O ATOM 1509 CB PHE A 99 3.248 -4.485 -8.805 1.00 0.00 C ATOM 1510 CG PHE A 99 3.983 -5.496 -9.638 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.406 -5.182 -10.919 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.251 -6.761 -9.139 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.083 -6.111 -11.688 1.00 0.00 C ATOM 1514 CE2 PHE A 99 4.928 -7.693 -9.902 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.344 -7.368 -11.179 1.00 0.00 C ATOM 0 H PHE A 99 1.782 -5.735 -10.723 1.00 0.00 H new ATOM 0 HA PHE A 99 1.209 -3.885 -8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.825 -3.561 -8.776 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.180 -4.850 -7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.205 -4.200 -11.322 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.927 -7.021 -8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.407 -5.854 -12.686 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.132 -8.675 -9.501 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.872 -8.095 -11.778 1.00 0.00 H new ATOM 1525 N SER A 100 0.731 -2.665 -10.857 1.00 0.00 N ATOM 1526 CA SER A 100 0.642 -1.579 -11.825 1.00 0.00 C ATOM 1527 C SER A 100 0.669 -0.223 -11.125 1.00 0.00 C ATOM 1528 O SER A 100 0.969 -0.133 -9.935 1.00 0.00 O ATOM 1529 CB SER A 100 -0.636 -1.711 -12.656 1.00 0.00 C ATOM 1530 OG SER A 100 -1.693 -0.955 -12.090 1.00 0.00 O ATOM 0 H SER A 100 -0.160 -3.113 -10.642 1.00 0.00 H new ATOM 0 HA SER A 100 1.506 -1.644 -12.487 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.448 -1.372 -13.675 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.927 -2.760 -12.717 1.00 0.00 H new ATOM 0 HG SER A 100 -2.501 -1.508 -12.042 1.00 0.00 H new ATOM 1536 N SER A 101 0.353 0.829 -11.873 1.00 0.00 N ATOM 1537 CA SER A 101 0.345 2.181 -11.327 1.00 0.00 C ATOM 1538 C SER A 101 -0.442 2.233 -10.020 1.00 0.00 C ATOM 1539 O SER A 101 -0.139 3.031 -9.133 1.00 0.00 O ATOM 1540 CB SER A 101 -0.258 3.158 -12.338 1.00 0.00 C ATOM 1541 OG SER A 101 -1.657 3.287 -12.151 1.00 0.00 O ATOM 0 H SER A 101 0.099 0.771 -12.859 1.00 0.00 H new ATOM 0 HA SER A 101 1.376 2.471 -11.123 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.217 4.133 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.054 2.810 -13.351 1.00 0.00 H new ATOM 0 HG SER A 101 -2.018 3.918 -12.808 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.452 1.377 -9.910 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.283 1.326 -8.714 1.00 0.00 C ATOM 1549 C ARG A 102 -2.498 -0.115 -8.262 1.00 0.00 C ATOM 1550 O ARG A 102 -2.335 -1.052 -9.043 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.634 1.996 -8.976 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.598 1.132 -9.772 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.932 1.832 -9.979 1.00 0.00 C ATOM 1554 NE ARG A 102 -6.568 1.438 -11.233 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.511 2.154 -11.835 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -7.925 3.294 -11.301 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -8.041 1.730 -12.976 1.00 0.00 N ATOM 0 H ARG A 102 -1.715 0.709 -10.635 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.766 1.865 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.093 2.254 -8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.469 2.930 -9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.158 0.891 -10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.758 0.188 -9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.596 1.599 -9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.780 2.911 -9.973 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.272 0.565 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.519 3.624 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.649 3.842 -11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.724 0.854 -13.391 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.765 2.280 -13.438 1.00 0.00 H new ATOM 1571 N MET A 103 -2.864 -0.285 -6.996 1.00 0.00 N ATOM 1572 CA MET A 103 -3.102 -1.612 -6.440 1.00 0.00 C ATOM 1573 C MET A 103 -4.220 -1.575 -5.403 1.00 0.00 C ATOM 1574 O MET A 103 -4.125 -0.870 -4.399 1.00 0.00 O ATOM 1575 CB MET A 103 -1.821 -2.160 -5.807 1.00 0.00 C ATOM 1576 CG MET A 103 -1.100 -3.176 -6.677 1.00 0.00 C ATOM 1577 SD MET A 103 0.047 -4.204 -5.740 1.00 0.00 S ATOM 1578 CE MET A 103 1.073 -2.952 -4.973 1.00 0.00 C ATOM 0 H MET A 103 -3.002 0.480 -6.335 1.00 0.00 H new ATOM 0 HA MET A 103 -3.407 -2.270 -7.254 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.146 -1.330 -5.596 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.067 -2.622 -4.851 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.835 -3.814 -7.169 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.555 -2.653 -7.463 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.677 -3.407 -4.188 1.00 0.00 H new ATOM 0 HE2 MET A 103 1.727 -2.508 -5.723 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.440 -2.178 -4.540 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.278 -2.338 -5.654 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.416 -2.391 -4.743 1.00 0.00 C ATOM 1590 C TYR A 104 -6.124 -3.307 -3.559 1.00 0.00 C ATOM 1591 O TYR A 104 -5.741 -4.464 -3.735 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.665 -2.875 -5.482 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.207 -1.873 -6.477 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.305 -0.526 -6.152 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.619 -2.275 -7.741 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.801 0.392 -7.058 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.114 -1.363 -8.654 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.203 -0.031 -8.307 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.696 0.881 -9.213 1.00 0.00 O ATOM 0 H TYR A 104 -5.372 -2.928 -6.481 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.593 -1.384 -4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.431 -3.803 -6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.441 -3.107 -4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.988 -0.191 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.551 -3.317 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.873 1.435 -6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.429 -1.691 -9.633 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.933 0.420 -10.045 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.308 -2.781 -2.353 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.065 -3.551 -1.138 1.00 0.00 C ATOM 1611 C CYS A 105 -7.379 -3.939 -0.469 1.00 0.00 C ATOM 1612 O CYS A 105 -8.029 -3.113 0.171 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.201 -2.747 -0.165 1.00 0.00 C ATOM 1614 SG CYS A 105 -3.438 -3.141 -0.246 1.00 0.00 S ATOM 0 H CYS A 105 -6.624 -1.825 -2.190 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.536 -4.463 -1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.335 -1.685 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.556 -2.923 0.850 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.790 -2.409 0.611 1.00 0.00 H new ATOM 1620 N SER A 106 -7.765 -5.202 -0.622 1.00 0.00 N ATOM 1621 CA SER A 106 -9.004 -5.699 -0.036 1.00 0.00 C ATOM 1622 C SER A 106 -8.717 -6.600 1.160 1.00 0.00 C ATOM 1623 O SER A 106 -7.618 -7.139 1.297 1.00 0.00 O ATOM 1624 CB SER A 106 -9.816 -6.465 -1.083 1.00 0.00 C ATOM 1625 OG SER A 106 -9.198 -6.398 -2.357 1.00 0.00 O ATOM 0 H SER A 106 -7.237 -5.899 -1.147 1.00 0.00 H new ATOM 0 HA SER A 106 -9.583 -4.842 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.917 -7.507 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.823 -6.051 -1.141 1.00 0.00 H new ATOM 0 HG SER A 106 -9.735 -6.896 -3.008 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.712 -6.760 2.026 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.568 -7.594 3.213 1.00 0.00 C ATOM 1633 C PHE A 107 -9.921 -9.046 2.903 1.00 0.00 C ATOM 1634 O PHE A 107 -9.752 -9.931 3.743 1.00 0.00 O ATOM 1635 CB PHE A 107 -10.458 -7.071 4.342 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.920 -7.333 4.123 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -12.496 -8.520 4.547 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -12.720 -6.392 3.495 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.841 -8.764 4.346 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -14.066 -6.630 3.292 1.00 0.00 C ATOM 1641 CZ PHE A 107 -14.628 -7.818 3.719 1.00 0.00 C ATOM 0 H PHE A 107 -10.628 -6.322 1.928 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.527 -7.551 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.151 -7.534 5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.302 -5.998 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.887 -9.263 5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.286 -5.461 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -14.277 -9.694 4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -14.678 -5.888 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 107 -15.680 -8.006 3.563 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.414 -9.283 1.692 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.795 -10.626 1.271 1.00 0.00 C ATOM 1653 C TYR A 108 -9.858 -11.142 0.184 1.00 0.00 C ATOM 1654 O TYR A 108 -9.237 -10.375 -0.553 1.00 0.00 O ATOM 1655 CB TYR A 108 -12.237 -10.634 0.763 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.435 -9.845 -0.511 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.521 -8.458 -0.486 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.537 -10.485 -1.740 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.702 -7.732 -1.647 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.717 -9.767 -2.906 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.799 -8.391 -2.855 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.980 -7.673 -4.015 1.00 0.00 O ATOM 0 H TYR A 108 -10.559 -8.562 0.985 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.718 -11.286 2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.548 -11.665 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.888 -10.228 1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.445 -7.939 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.474 -11.562 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.767 -6.655 -1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.793 -10.280 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 108 -13.027 -8.288 -4.776 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.752 -12.475 0.079 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.895 -13.126 -0.916 1.00 0.00 C ATOM 1674 C PRO A 109 -9.424 -12.958 -2.337 1.00 0.00 C ATOM 1675 O PRO A 109 -10.561 -12.539 -2.556 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.928 -14.600 -0.504 1.00 0.00 C ATOM 1677 CG PRO A 109 -10.217 -14.760 0.226 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.463 -13.450 0.923 1.00 0.00 C ATOM 0 HA PRO A 109 -7.893 -12.697 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.881 -15.255 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.079 -14.853 0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.029 -14.994 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.161 -15.579 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.527 -13.224 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.075 -13.458 1.942 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.582 -13.291 -3.326 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.945 -13.186 -4.743 1.00 0.00 C ATOM 1688 C PRO A 110 -9.990 -14.219 -5.152 1.00 0.00 C ATOM 1689 O PRO A 110 -11.049 -13.870 -5.674 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.622 -13.449 -5.467 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.823 -14.267 -4.513 1.00 0.00 C ATOM 1692 CD PRO A 110 -7.212 -13.797 -3.138 1.00 0.00 C ATOM 0 HA PRO A 110 -9.392 -12.220 -4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.783 -13.980 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.113 -12.517 -5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.035 -15.329 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.755 -14.133 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.180 -14.609 -2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.542 -13.018 -2.775 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.686 -15.489 -4.911 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.600 -16.572 -5.253 1.00 0.00 C ATOM 1702 C ASP A 111 -9.938 -17.930 -5.041 1.00 0.00 C ATOM 1703 O ASP A 111 -10.449 -18.772 -4.304 1.00 0.00 O ATOM 1704 CB ASP A 111 -11.064 -16.437 -6.704 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.563 -16.240 -6.816 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -13.313 -17.035 -6.212 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.987 -15.290 -7.509 1.00 0.00 O ATOM 0 H ASP A 111 -8.813 -15.794 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.466 -16.505 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -10.554 -15.593 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.775 -17.329 -7.259 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.798 -18.135 -5.694 1.00 0.00 N ATOM 1713 CA GLU A 112 -8.067 -19.391 -5.579 1.00 0.00 C ATOM 1714 C GLU A 112 -9.017 -20.583 -5.666 1.00 0.00 C ATOM 1715 O GLU A 112 -9.330 -21.060 -6.756 1.00 0.00 O ATOM 1716 CB GLU A 112 -7.293 -19.437 -4.260 1.00 0.00 C ATOM 1717 CG GLU A 112 -6.287 -20.573 -4.184 1.00 0.00 C ATOM 1718 CD GLU A 112 -5.737 -20.773 -2.785 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -6.434 -21.397 -1.958 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -4.611 -20.306 -2.517 1.00 0.00 O ATOM 0 H GLU A 112 -8.361 -17.447 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.362 -19.449 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.771 -18.490 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.000 -19.534 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.761 -21.496 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.463 -20.370 -4.869 1.00 0.00 H new