USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 632 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 44 MET CE :methyl -164:sc=-0.00251 (180deg=-0.0782) USER MOD Set 1.2: A 76 MET CE :methyl -125:sc= 0 (180deg=-0.232) USER MOD Set 2.1: A 17 THR OG1 : rot 178:sc= 0.182 USER MOD Set 2.2: A 66 THR OG1 : rot -19:sc=-0.00788 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.0176 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 5 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 6 THR OG1 : rot -102:sc= 0.511 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.925) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 151:sc= 1.15 USER MOD Single : A 35 LYS NZ :NH3+ 135:sc= -0.19 (180deg=-0.461) USER MOD Single : A 36 SER OG : rot -170:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0703 K(o=-0.07,f=-0.91) USER MOD Single : A 51 SER OG : rot -140:sc= -0.106 USER MOD Single : A 52 THR OG1 : rot -156:sc= -0.0283 USER MOD Single : A 56 ASN : amide:sc= -0.103 K(o=-0.1,f=-2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -129:sc= -0.212 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 56:sc= 0.0754 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.283 -0.595 0.502 1.00 3.45 N ATOM 2 CA MET A 1 -0.312 0.491 0.423 1.00 13.24 C ATOM 3 C MET A 1 0.058 0.785 -1.027 1.00 21.40 C ATOM 4 O MET A 1 0.877 0.085 -1.622 1.00 23.13 O ATOM 5 CB MET A 1 0.944 0.140 1.222 1.00 64.21 C ATOM 6 CG MET A 1 0.889 0.592 2.672 1.00 3.20 C ATOM 7 SD MET A 1 0.161 -0.648 3.759 1.00 24.35 S ATOM 8 CE MET A 1 1.290 -0.585 5.148 1.00 25.34 C ATOM 0 H1 MET A 1 -1.269 -1.004 1.458 1.00 3.45 H new ATOM 0 H2 MET A 1 -2.234 -0.226 0.297 1.00 3.45 H new ATOM 0 H3 MET A 1 -1.039 -1.330 -0.193 1.00 3.45 H new ATOM 0 HA MET A 1 -0.767 1.384 0.851 1.00 13.24 H new ATOM 0 HB2 MET A 1 1.094 -0.939 1.192 1.00 64.21 H new ATOM 0 HB3 MET A 1 1.810 0.595 0.741 1.00 64.21 H new ATOM 0 HG2 MET A 1 1.898 0.823 3.015 1.00 3.20 H new ATOM 0 HG3 MET A 1 0.311 1.513 2.740 1.00 3.20 H new ATOM 0 HE1 MET A 1 0.972 -1.299 5.908 1.00 25.34 H new ATOM 0 HE2 MET A 1 2.296 -0.837 4.811 1.00 25.34 H new ATOM 0 HE3 MET A 1 1.290 0.419 5.571 1.00 25.34 H new ATOM 18 N ALA A 2 -0.551 1.823 -1.590 1.00 42.01 N ATOM 19 CA ALA A 2 -0.283 2.209 -2.970 1.00 12.31 C ATOM 20 C ALA A 2 -0.059 3.713 -3.085 1.00 55.34 C ATOM 21 O ALA A 2 -0.976 4.464 -3.422 1.00 44.31 O ATOM 22 CB ALA A 2 -1.429 1.773 -3.872 1.00 4.34 C ATOM 0 H ALA A 2 -1.233 2.412 -1.112 1.00 42.01 H new ATOM 0 HA ALA A 2 0.629 1.707 -3.292 1.00 12.31 H new ATOM 0 HB1 ALA A 2 -1.216 2.068 -4.900 1.00 4.34 H new ATOM 0 HB2 ALA A 2 -1.541 0.690 -3.821 1.00 4.34 H new ATOM 0 HB3 ALA A 2 -2.353 2.249 -3.542 1.00 4.34 H new ATOM 28 N THR A 3 1.165 4.148 -2.803 1.00 52.33 N ATOM 29 CA THR A 3 1.508 5.563 -2.874 1.00 23.13 C ATOM 30 C THR A 3 1.104 6.161 -4.216 1.00 71.23 C ATOM 31 O THR A 3 1.094 5.472 -5.236 1.00 61.55 O ATOM 32 CB THR A 3 3.017 5.786 -2.659 1.00 22.11 C ATOM 33 OG1 THR A 3 3.758 4.697 -3.221 1.00 22.03 O ATOM 34 CG2 THR A 3 3.340 5.915 -1.178 1.00 32.22 C ATOM 0 H THR A 3 1.935 3.541 -2.523 1.00 52.33 H new ATOM 0 HA THR A 3 0.957 6.062 -2.077 1.00 23.13 H new ATOM 0 HB THR A 3 3.299 6.713 -3.158 1.00 22.11 H new ATOM 0 HG1 THR A 3 4.716 4.847 -3.082 1.00 22.03 H new ATOM 0 HG21 THR A 3 4.411 6.072 -1.052 1.00 32.22 H new ATOM 0 HG22 THR A 3 2.797 6.763 -0.760 1.00 32.22 H new ATOM 0 HG23 THR A 3 3.043 5.003 -0.660 1.00 32.22 H new ATOM 42 N PHE A 4 0.771 7.447 -4.210 1.00 1.33 N ATOM 43 CA PHE A 4 0.365 8.138 -5.428 1.00 43.31 C ATOM 44 C PHE A 4 0.878 9.576 -5.435 1.00 32.54 C ATOM 45 O PHE A 4 0.530 10.373 -4.564 1.00 30.30 O ATOM 46 CB PHE A 4 -1.159 8.128 -5.562 1.00 62.31 C ATOM 47 CG PHE A 4 -1.644 8.535 -6.924 1.00 64.53 C ATOM 48 CD1 PHE A 4 -1.630 7.633 -7.977 1.00 12.24 C ATOM 49 CD2 PHE A 4 -2.113 9.818 -7.152 1.00 72.13 C ATOM 50 CE1 PHE A 4 -2.075 8.005 -9.231 1.00 40.31 C ATOM 51 CE2 PHE A 4 -2.560 10.196 -8.405 1.00 23.32 C ATOM 52 CZ PHE A 4 -2.541 9.288 -9.445 1.00 75.32 C ATOM 0 H PHE A 4 0.774 8.032 -3.375 1.00 1.33 H new ATOM 0 HA PHE A 4 0.801 7.611 -6.277 1.00 43.31 H new ATOM 0 HB2 PHE A 4 -1.529 7.128 -5.337 1.00 62.31 H new ATOM 0 HB3 PHE A 4 -1.586 8.800 -4.817 1.00 62.31 H new ATOM 0 HD1 PHE A 4 -1.267 6.629 -7.815 1.00 12.24 H new ATOM 0 HD2 PHE A 4 -2.130 10.532 -6.342 1.00 72.13 H new ATOM 0 HE1 PHE A 4 -2.059 7.293 -10.043 1.00 40.31 H new ATOM 0 HE2 PHE A 4 -2.923 11.200 -8.570 1.00 23.32 H new ATOM 0 HZ PHE A 4 -2.890 9.580 -10.424 1.00 75.32 H new ATOM 62 N GLN A 5 1.707 9.897 -6.423 1.00 14.45 N ATOM 63 CA GLN A 5 2.268 11.238 -6.542 1.00 21.22 C ATOM 64 C GLN A 5 1.840 11.893 -7.851 1.00 64.30 C ATOM 65 O GLN A 5 1.935 11.289 -8.920 1.00 44.03 O ATOM 66 CB GLN A 5 3.795 11.183 -6.460 1.00 14.21 C ATOM 67 CG GLN A 5 4.470 12.500 -6.807 1.00 50.12 C ATOM 68 CD GLN A 5 5.081 12.494 -8.194 1.00 44.34 C ATOM 69 OE1 GLN A 5 6.044 11.773 -8.458 1.00 72.12 O ATOM 70 NE2 GLN A 5 4.524 13.301 -9.091 1.00 23.55 N ATOM 0 H GLN A 5 2.005 9.248 -7.152 1.00 14.45 H new ATOM 0 HA GLN A 5 1.888 11.839 -5.716 1.00 21.22 H new ATOM 0 HB2 GLN A 5 4.086 10.890 -5.451 1.00 14.21 H new ATOM 0 HB3 GLN A 5 4.159 10.409 -7.135 1.00 14.21 H new ATOM 0 HG2 GLN A 5 3.740 13.307 -6.739 1.00 50.12 H new ATOM 0 HG3 GLN A 5 5.247 12.710 -6.072 1.00 50.12 H new ATOM 0 HE21 GLN A 5 3.727 13.882 -8.829 1.00 23.55 H new ATOM 0 HE22 GLN A 5 4.893 13.340 -10.041 1.00 23.55 H new ATOM 79 N THR A 6 1.368 13.132 -7.761 1.00 2.25 N ATOM 80 CA THR A 6 0.924 13.869 -8.937 1.00 63.22 C ATOM 81 C THR A 6 1.435 15.305 -8.912 1.00 30.22 C ATOM 82 O THR A 6 1.135 16.064 -7.990 1.00 40.24 O ATOM 83 CB THR A 6 -0.612 13.884 -9.044 1.00 13.13 C ATOM 84 OG1 THR A 6 -1.018 14.695 -10.152 1.00 74.41 O ATOM 85 CG2 THR A 6 -1.238 14.416 -7.763 1.00 52.44 C ATOM 0 H THR A 6 1.283 13.647 -6.884 1.00 2.25 H new ATOM 0 HA THR A 6 1.336 13.355 -9.806 1.00 63.22 H new ATOM 0 HB THR A 6 -0.954 12.861 -9.199 1.00 13.13 H new ATOM 0 HG1 THR A 6 -1.320 15.568 -9.825 1.00 74.41 H new ATOM 0 HG21 THR A 6 -2.324 14.417 -7.862 1.00 52.44 H new ATOM 0 HG22 THR A 6 -0.951 13.780 -6.926 1.00 52.44 H new ATOM 0 HG23 THR A 6 -0.889 15.433 -7.582 1.00 52.44 H new ATOM 93 N ASP A 7 2.207 15.671 -9.929 1.00 11.20 N ATOM 94 CA ASP A 7 2.758 17.018 -10.024 1.00 61.02 C ATOM 95 C ASP A 7 1.847 17.921 -10.850 1.00 30.12 C ATOM 96 O ASP A 7 2.313 18.683 -11.696 1.00 4.11 O ATOM 97 CB ASP A 7 4.155 16.978 -10.645 1.00 63.40 C ATOM 98 CG ASP A 7 5.003 18.167 -10.240 1.00 44.10 C ATOM 99 OD1 ASP A 7 4.550 19.314 -10.436 1.00 55.11 O ATOM 100 OD2 ASP A 7 6.121 17.951 -9.726 1.00 53.12 O ATOM 0 H ASP A 7 2.465 15.054 -10.699 1.00 11.20 H new ATOM 0 HA ASP A 7 2.828 17.427 -9.016 1.00 61.02 H new ATOM 0 HB2 ASP A 7 4.657 16.058 -10.344 1.00 63.40 H new ATOM 0 HB3 ASP A 7 4.066 16.952 -11.731 1.00 63.40 H new ATOM 105 N ALA A 8 0.545 17.828 -10.598 1.00 42.35 N ATOM 106 CA ALA A 8 -0.431 18.637 -11.318 1.00 10.23 C ATOM 107 C ALA A 8 -1.845 18.370 -10.812 1.00 4.22 C ATOM 108 O ALA A 8 -2.080 17.411 -10.077 1.00 73.33 O ATOM 109 CB ALA A 8 -0.343 18.366 -12.812 1.00 72.52 C ATOM 0 H ALA A 8 0.142 17.201 -9.901 1.00 42.35 H new ATOM 0 HA ALA A 8 -0.200 19.687 -11.137 1.00 10.23 H new ATOM 0 HB1 ALA A 8 -1.078 18.977 -13.337 1.00 72.52 H new ATOM 0 HB2 ALA A 8 0.657 18.614 -13.169 1.00 72.52 H new ATOM 0 HB3 ALA A 8 -0.545 17.312 -13.003 1.00 72.52 H new ATOM 115 N ASP A 9 -2.781 19.225 -11.209 1.00 31.35 N ATOM 116 CA ASP A 9 -4.172 19.081 -10.795 1.00 72.33 C ATOM 117 C ASP A 9 -4.679 17.670 -11.077 1.00 33.32 C ATOM 118 O ASP A 9 -4.161 16.976 -11.952 1.00 75.20 O ATOM 119 CB ASP A 9 -5.050 20.105 -11.517 1.00 25.21 C ATOM 120 CG ASP A 9 -4.716 20.216 -12.992 1.00 35.52 C ATOM 121 OD1 ASP A 9 -4.907 19.219 -13.720 1.00 75.10 O ATOM 122 OD2 ASP A 9 -4.266 21.299 -13.418 1.00 43.10 O ATOM 0 H ASP A 9 -2.602 20.025 -11.817 1.00 31.35 H new ATOM 0 HA ASP A 9 -4.226 19.260 -9.721 1.00 72.33 H new ATOM 0 HB2 ASP A 9 -6.097 19.825 -11.405 1.00 25.21 H new ATOM 0 HB3 ASP A 9 -4.929 21.080 -11.045 1.00 25.21 H new ATOM 127 N PHE A 10 -5.695 17.251 -10.328 1.00 45.14 N ATOM 128 CA PHE A 10 -6.271 15.922 -10.496 1.00 24.12 C ATOM 129 C PHE A 10 -7.770 15.939 -10.212 1.00 3.22 C ATOM 130 O PHE A 10 -8.290 16.886 -9.620 1.00 74.12 O ATOM 131 CB PHE A 10 -5.576 14.922 -9.570 1.00 30.54 C ATOM 132 CG PHE A 10 -5.581 15.338 -8.126 1.00 64.34 C ATOM 133 CD1 PHE A 10 -6.652 15.026 -7.305 1.00 71.12 C ATOM 134 CD2 PHE A 10 -4.514 16.041 -7.591 1.00 44.23 C ATOM 135 CE1 PHE A 10 -6.659 15.407 -5.977 1.00 13.05 C ATOM 136 CE2 PHE A 10 -4.515 16.425 -6.263 1.00 71.44 C ATOM 137 CZ PHE A 10 -5.590 16.108 -5.455 1.00 43.34 C ATOM 0 H PHE A 10 -6.136 17.813 -9.599 1.00 45.14 H new ATOM 0 HA PHE A 10 -6.119 15.615 -11.531 1.00 24.12 H new ATOM 0 HB2 PHE A 10 -6.066 13.953 -9.662 1.00 30.54 H new ATOM 0 HB3 PHE A 10 -4.545 14.791 -9.898 1.00 30.54 H new ATOM 0 HD1 PHE A 10 -7.491 14.479 -7.708 1.00 71.12 H new ATOM 0 HD2 PHE A 10 -3.672 16.292 -8.219 1.00 44.23 H new ATOM 0 HE1 PHE A 10 -7.500 15.157 -5.348 1.00 13.05 H new ATOM 0 HE2 PHE A 10 -3.677 16.972 -5.858 1.00 71.44 H new ATOM 0 HZ PHE A 10 -5.594 16.408 -4.417 1.00 43.34 H new ATOM 147 N LEU A 11 -8.458 14.886 -10.638 1.00 14.21 N ATOM 148 CA LEU A 11 -9.898 14.779 -10.431 1.00 15.04 C ATOM 149 C LEU A 11 -10.214 13.829 -9.280 1.00 23.12 C ATOM 150 O LEU A 11 -9.542 12.813 -9.098 1.00 20.52 O ATOM 151 CB LEU A 11 -10.583 14.294 -11.710 1.00 30.13 C ATOM 152 CG LEU A 11 -10.989 15.380 -12.707 1.00 62.40 C ATOM 153 CD1 LEU A 11 -11.580 14.757 -13.962 1.00 55.21 C ATOM 154 CD2 LEU A 11 -11.978 16.345 -12.071 1.00 12.20 C ATOM 0 H LEU A 11 -8.042 14.094 -11.129 1.00 14.21 H new ATOM 0 HA LEU A 11 -10.277 15.768 -10.176 1.00 15.04 H new ATOM 0 HB2 LEU A 11 -9.914 13.597 -12.215 1.00 30.13 H new ATOM 0 HB3 LEU A 11 -11.475 13.734 -11.430 1.00 30.13 H new ATOM 0 HG LEU A 11 -10.097 15.940 -12.989 1.00 62.40 H new ATOM 0 HD11 LEU A 11 -11.863 15.544 -14.660 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -10.840 14.107 -14.429 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -12.461 14.172 -13.698 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -12.256 17.111 -12.795 1.00 12.20 H new ATOM 0 HD22 LEU A 11 -12.869 15.800 -11.759 1.00 12.20 H new ATOM 0 HD23 LEU A 11 -11.519 16.816 -11.202 1.00 12.20 H new ATOM 166 N LEU A 12 -11.240 14.165 -8.507 1.00 34.33 N ATOM 167 CA LEU A 12 -11.647 13.340 -7.374 1.00 11.10 C ATOM 168 C LEU A 12 -13.087 12.864 -7.536 1.00 52.31 C ATOM 169 O LEU A 12 -13.986 13.657 -7.820 1.00 22.42 O ATOM 170 CB LEU A 12 -11.501 14.124 -6.069 1.00 1.14 C ATOM 171 CG LEU A 12 -11.309 13.289 -4.802 1.00 53.11 C ATOM 172 CD1 LEU A 12 -9.843 12.929 -4.617 1.00 35.21 C ATOM 173 CD2 LEU A 12 -11.834 14.038 -3.585 1.00 72.55 C ATOM 0 H LEU A 12 -11.806 15.003 -8.643 1.00 34.33 H new ATOM 0 HA LEU A 12 -10.997 12.466 -7.341 1.00 11.10 H new ATOM 0 HB2 LEU A 12 -10.651 14.799 -6.167 1.00 1.14 H new ATOM 0 HB3 LEU A 12 -12.388 14.745 -5.940 1.00 1.14 H new ATOM 0 HG LEU A 12 -11.878 12.365 -4.909 1.00 53.11 H new ATOM 0 HD11 LEU A 12 -9.726 12.335 -3.711 1.00 35.21 H new ATOM 0 HD12 LEU A 12 -9.499 12.353 -5.476 1.00 35.21 H new ATOM 0 HD13 LEU A 12 -9.252 13.841 -4.532 1.00 35.21 H new ATOM 0 HD21 LEU A 12 -11.689 13.429 -2.693 1.00 72.55 H new ATOM 0 HD22 LEU A 12 -11.293 14.978 -3.475 1.00 72.55 H new ATOM 0 HD23 LEU A 12 -12.896 14.244 -3.715 1.00 72.55 H new ATOM 185 N VAL A 13 -13.300 11.565 -7.352 1.00 11.22 N ATOM 186 CA VAL A 13 -14.632 10.984 -7.474 1.00 64.22 C ATOM 187 C VAL A 13 -15.041 10.272 -6.189 1.00 41.45 C ATOM 188 O VAL A 13 -14.334 9.390 -5.704 1.00 11.44 O ATOM 189 CB VAL A 13 -14.703 9.986 -8.646 1.00 1.15 C ATOM 190 CG1 VAL A 13 -16.120 9.459 -8.813 1.00 21.25 C ATOM 191 CG2 VAL A 13 -14.213 10.637 -9.930 1.00 43.30 C ATOM 0 H VAL A 13 -12.567 10.895 -7.118 1.00 11.22 H new ATOM 0 HA VAL A 13 -15.321 11.807 -7.665 1.00 64.22 H new ATOM 0 HB VAL A 13 -14.051 9.142 -8.422 1.00 1.15 H new ATOM 0 HG11 VAL A 13 -16.151 8.756 -9.645 1.00 21.25 H new ATOM 0 HG12 VAL A 13 -16.430 8.953 -7.899 1.00 21.25 H new ATOM 0 HG13 VAL A 13 -16.796 10.290 -9.015 1.00 21.25 H new ATOM 0 HG21 VAL A 13 -14.270 9.918 -10.747 1.00 43.30 H new ATOM 0 HG22 VAL A 13 -14.837 11.500 -10.162 1.00 43.30 H new ATOM 0 HG23 VAL A 13 -13.180 10.960 -9.803 1.00 43.30 H new ATOM 201 N GLY A 14 -16.189 10.662 -5.643 1.00 42.23 N ATOM 202 CA GLY A 14 -16.673 10.051 -4.419 1.00 52.23 C ATOM 203 C GLY A 14 -18.177 10.170 -4.267 1.00 43.54 C ATOM 204 O GLY A 14 -18.927 9.880 -5.199 1.00 64.44 O ATOM 0 H GLY A 14 -16.792 11.390 -6.026 1.00 42.23 H new ATOM 0 HA2 GLY A 14 -16.392 8.998 -4.406 1.00 52.23 H new ATOM 0 HA3 GLY A 14 -16.186 10.521 -3.565 1.00 52.23 H new ATOM 208 N ASP A 15 -18.619 10.598 -3.090 1.00 25.33 N ATOM 209 CA ASP A 15 -20.043 10.754 -2.818 1.00 42.24 C ATOM 210 C ASP A 15 -20.387 12.215 -2.545 1.00 43.13 C ATOM 211 O ASP A 15 -21.360 12.515 -1.853 1.00 42.25 O ATOM 212 CB ASP A 15 -20.455 9.889 -1.626 1.00 64.03 C ATOM 213 CG ASP A 15 -20.553 8.419 -1.984 1.00 40.13 C ATOM 214 OD1 ASP A 15 -19.726 7.949 -2.793 1.00 4.22 O ATOM 215 OD2 ASP A 15 -21.458 7.739 -1.457 1.00 22.34 O ATOM 0 H ASP A 15 -18.011 10.843 -2.308 1.00 25.33 H new ATOM 0 HA ASP A 15 -20.594 10.428 -3.700 1.00 42.24 H new ATOM 0 HB2 ASP A 15 -19.731 10.016 -0.821 1.00 64.03 H new ATOM 0 HB3 ASP A 15 -21.417 10.233 -1.247 1.00 64.03 H new ATOM 220 N ASP A 16 -19.581 13.119 -3.092 1.00 55.11 N ATOM 221 CA ASP A 16 -19.800 14.549 -2.908 1.00 13.13 C ATOM 222 C ASP A 16 -19.915 14.895 -1.426 1.00 62.33 C ATOM 223 O ASP A 16 -20.978 15.296 -0.951 1.00 21.40 O ATOM 224 CB ASP A 16 -21.064 14.993 -3.647 1.00 24.12 C ATOM 225 CG ASP A 16 -20.897 14.954 -5.153 1.00 61.02 C ATOM 226 OD1 ASP A 16 -19.741 14.880 -5.620 1.00 72.10 O ATOM 227 OD2 ASP A 16 -21.922 14.998 -5.865 1.00 51.43 O ATOM 0 H ASP A 16 -18.771 12.887 -3.666 1.00 55.11 H new ATOM 0 HA ASP A 16 -18.942 15.079 -3.321 1.00 13.13 H new ATOM 0 HB2 ASP A 16 -21.895 14.349 -3.360 1.00 24.12 H new ATOM 0 HB3 ASP A 16 -21.325 16.006 -3.339 1.00 24.12 H new ATOM 232 N THR A 17 -18.813 14.736 -0.700 1.00 22.33 N ATOM 233 CA THR A 17 -18.790 15.028 0.728 1.00 42.42 C ATOM 234 C THR A 17 -18.754 16.531 0.980 1.00 12.35 C ATOM 235 O THR A 17 -18.074 17.274 0.272 1.00 74.42 O ATOM 236 CB THR A 17 -17.576 14.375 1.416 1.00 74.22 C ATOM 237 OG1 THR A 17 -16.475 14.303 0.503 1.00 55.21 O ATOM 238 CG2 THR A 17 -17.922 12.979 1.911 1.00 34.14 C ATOM 0 H THR A 17 -17.925 14.407 -1.077 1.00 22.33 H new ATOM 0 HA THR A 17 -19.705 14.612 1.151 1.00 42.42 H new ATOM 0 HB THR A 17 -17.298 14.989 2.272 1.00 74.22 H new ATOM 0 HG1 THR A 17 -15.695 13.924 0.960 1.00 55.21 H new ATOM 0 HG21 THR A 17 -17.050 12.537 2.393 1.00 34.14 H new ATOM 0 HG22 THR A 17 -18.741 13.040 2.628 1.00 34.14 H new ATOM 0 HG23 THR A 17 -18.223 12.358 1.067 1.00 34.14 H new ATOM 246 N SER A 18 -19.490 16.974 1.995 1.00 20.22 N ATOM 247 CA SER A 18 -19.545 18.390 2.339 1.00 23.34 C ATOM 248 C SER A 18 -18.196 18.874 2.862 1.00 2.22 C ATOM 249 O SER A 18 -17.932 20.076 2.912 1.00 34.21 O ATOM 250 CB SER A 18 -20.631 18.640 3.388 1.00 64.23 C ATOM 251 OG SER A 18 -20.820 20.027 3.605 1.00 52.35 O ATOM 0 H SER A 18 -20.056 16.372 2.593 1.00 20.22 H new ATOM 0 HA SER A 18 -19.787 18.949 1.435 1.00 23.34 H new ATOM 0 HB2 SER A 18 -21.568 18.189 3.061 1.00 64.23 H new ATOM 0 HB3 SER A 18 -20.354 18.156 4.325 1.00 64.23 H new ATOM 0 HG SER A 18 -21.520 20.160 4.278 1.00 52.35 H new ATOM 257 N ARG A 19 -17.345 17.930 3.251 1.00 33.01 N ATOM 258 CA ARG A 19 -16.024 18.259 3.772 1.00 41.34 C ATOM 259 C ARG A 19 -14.955 18.076 2.698 1.00 54.44 C ATOM 260 O ARG A 19 -13.761 18.039 2.996 1.00 74.34 O ATOM 261 CB ARG A 19 -15.698 17.386 4.984 1.00 22.24 C ATOM 262 CG ARG A 19 -16.445 17.790 6.245 1.00 51.13 C ATOM 263 CD ARG A 19 -16.189 16.813 7.382 1.00 50.33 C ATOM 264 NE ARG A 19 -17.390 16.571 8.176 1.00 13.12 N ATOM 265 CZ ARG A 19 -17.400 15.852 9.293 1.00 11.32 C ATOM 266 NH1 ARG A 19 -16.279 15.308 9.745 1.00 4.43 N ATOM 267 NH2 ARG A 19 -18.533 15.677 9.961 1.00 73.22 N ATOM 0 H ARG A 19 -17.547 16.931 3.215 1.00 33.01 H new ATOM 0 HA ARG A 19 -16.032 19.305 4.078 1.00 41.34 H new ATOM 0 HB2 ARG A 19 -15.935 16.349 4.748 1.00 22.24 H new ATOM 0 HB3 ARG A 19 -14.626 17.432 5.176 1.00 22.24 H new ATOM 0 HG2 ARG A 19 -16.136 18.791 6.547 1.00 51.13 H new ATOM 0 HG3 ARG A 19 -17.514 17.836 6.037 1.00 51.13 H new ATOM 0 HD2 ARG A 19 -15.828 15.869 6.974 1.00 50.33 H new ATOM 0 HD3 ARG A 19 -15.401 17.204 8.026 1.00 50.33 H new ATOM 0 HE ARG A 19 -18.270 16.976 7.856 1.00 13.12 H new ATOM 0 HH11 ARG A 19 -15.406 15.441 9.235 1.00 4.43 H new ATOM 0 HH12 ARG A 19 -16.290 14.756 10.603 1.00 4.43 H new ATOM 0 HH21 ARG A 19 -19.398 16.095 9.617 1.00 73.22 H new ATOM 0 HH22 ARG A 19 -18.539 15.125 10.819 1.00 73.22 H new ATOM 281 N TYR A 20 -15.393 17.963 1.449 1.00 50.04 N ATOM 282 CA TYR A 20 -14.475 17.781 0.331 1.00 41.14 C ATOM 283 C TYR A 20 -13.439 18.900 0.289 1.00 43.10 C ATOM 284 O TYR A 20 -12.288 18.681 -0.087 1.00 22.41 O ATOM 285 CB TYR A 20 -15.247 17.737 -0.989 1.00 33.31 C ATOM 286 CG TYR A 20 -15.717 19.094 -1.461 1.00 73.13 C ATOM 287 CD1 TYR A 20 -16.697 19.792 -0.766 1.00 0.21 C ATOM 288 CD2 TYR A 20 -15.183 19.678 -2.603 1.00 61.42 C ATOM 289 CE1 TYR A 20 -17.130 21.032 -1.194 1.00 12.20 C ATOM 290 CE2 TYR A 20 -15.609 20.918 -3.038 1.00 21.33 C ATOM 291 CZ TYR A 20 -16.583 21.591 -2.330 1.00 62.11 C ATOM 292 OH TYR A 20 -17.011 22.826 -2.761 1.00 21.25 O ATOM 0 H TYR A 20 -16.378 17.994 1.185 1.00 50.04 H new ATOM 0 HA TYR A 20 -13.955 16.833 0.472 1.00 41.14 H new ATOM 0 HB2 TYR A 20 -14.612 17.294 -1.757 1.00 33.31 H new ATOM 0 HB3 TYR A 20 -16.111 17.083 -0.873 1.00 33.31 H new ATOM 0 HD1 TYR A 20 -17.128 19.358 0.124 1.00 0.21 H new ATOM 0 HD2 TYR A 20 -14.421 19.153 -3.161 1.00 61.42 H new ATOM 0 HE1 TYR A 20 -17.893 21.561 -0.642 1.00 12.20 H new ATOM 0 HE2 TYR A 20 -15.182 21.358 -3.927 1.00 21.33 H new ATOM 0 HH TYR A 20 -16.524 23.075 -3.574 1.00 21.25 H new ATOM 302 N GLU A 21 -13.857 20.100 0.679 1.00 52.11 N ATOM 303 CA GLU A 21 -12.966 21.254 0.686 1.00 1.10 C ATOM 304 C GLU A 21 -11.914 21.123 1.784 1.00 35.42 C ATOM 305 O GLU A 21 -10.720 21.278 1.535 1.00 43.42 O ATOM 306 CB GLU A 21 -13.766 22.543 0.883 1.00 51.43 C ATOM 307 CG GLU A 21 -14.297 23.134 -0.413 1.00 33.42 C ATOM 308 CD GLU A 21 -13.835 24.560 -0.637 1.00 2.22 C ATOM 309 OE1 GLU A 21 -12.608 24.783 -0.702 1.00 50.43 O ATOM 310 OE2 GLU A 21 -14.701 25.454 -0.747 1.00 24.42 O ATOM 0 H GLU A 21 -14.807 20.298 0.994 1.00 52.11 H new ATOM 0 HA GLU A 21 -12.458 21.294 -0.277 1.00 1.10 H new ATOM 0 HB2 GLU A 21 -14.604 22.342 1.551 1.00 51.43 H new ATOM 0 HB3 GLU A 21 -13.134 23.281 1.377 1.00 51.43 H new ATOM 0 HG2 GLU A 21 -13.972 22.515 -1.250 1.00 33.42 H new ATOM 0 HG3 GLU A 21 -15.387 23.107 -0.401 1.00 33.42 H new ATOM 317 N GLU A 22 -12.370 20.836 3.000 1.00 64.41 N ATOM 318 CA GLU A 22 -11.468 20.685 4.136 1.00 34.23 C ATOM 319 C GLU A 22 -10.506 19.521 3.917 1.00 72.12 C ATOM 320 O GLU A 22 -9.314 19.624 4.204 1.00 24.03 O ATOM 321 CB GLU A 22 -12.267 20.465 5.423 1.00 2.20 C ATOM 322 CG GLU A 22 -11.407 20.077 6.614 1.00 22.10 C ATOM 323 CD GLU A 22 -10.143 20.909 6.717 1.00 71.40 C ATOM 324 OE1 GLU A 22 -10.244 22.152 6.664 1.00 14.01 O ATOM 325 OE2 GLU A 22 -9.052 20.315 6.851 1.00 53.13 O ATOM 0 H GLU A 22 -13.356 20.704 3.223 1.00 64.41 H new ATOM 0 HA GLU A 22 -10.886 21.602 4.229 1.00 34.23 H new ATOM 0 HB2 GLU A 22 -12.813 21.377 5.662 1.00 2.20 H new ATOM 0 HB3 GLU A 22 -13.009 19.685 5.251 1.00 2.20 H new ATOM 0 HG2 GLU A 22 -11.988 20.191 7.529 1.00 22.10 H new ATOM 0 HG3 GLU A 22 -11.139 19.023 6.536 1.00 22.10 H new ATOM 332 N VAL A 23 -11.034 18.413 3.406 1.00 63.12 N ATOM 333 CA VAL A 23 -10.223 17.229 3.147 1.00 41.11 C ATOM 334 C VAL A 23 -9.069 17.549 2.204 1.00 43.13 C ATOM 335 O VAL A 23 -7.931 17.143 2.439 1.00 1.50 O ATOM 336 CB VAL A 23 -11.067 16.092 2.541 1.00 40.35 C ATOM 337 CG1 VAL A 23 -10.186 14.904 2.186 1.00 34.34 C ATOM 338 CG2 VAL A 23 -12.173 15.680 3.500 1.00 3.04 C ATOM 0 H VAL A 23 -12.019 18.311 3.163 1.00 63.12 H new ATOM 0 HA VAL A 23 -9.824 16.903 4.107 1.00 41.11 H new ATOM 0 HB VAL A 23 -11.531 16.456 1.624 1.00 40.35 H new ATOM 0 HG11 VAL A 23 -10.800 14.111 1.759 1.00 34.34 H new ATOM 0 HG12 VAL A 23 -9.435 15.213 1.459 1.00 34.34 H new ATOM 0 HG13 VAL A 23 -9.691 14.536 3.085 1.00 34.34 H new ATOM 0 HG21 VAL A 23 -12.759 14.876 3.055 1.00 3.04 H new ATOM 0 HG22 VAL A 23 -11.733 15.334 4.435 1.00 3.04 H new ATOM 0 HG23 VAL A 23 -12.820 16.534 3.697 1.00 3.04 H new ATOM 348 N MET A 24 -9.370 18.280 1.135 1.00 31.32 N ATOM 349 CA MET A 24 -8.356 18.656 0.157 1.00 75.15 C ATOM 350 C MET A 24 -7.459 19.763 0.701 1.00 32.33 C ATOM 351 O MET A 24 -6.260 19.797 0.424 1.00 30.21 O ATOM 352 CB MET A 24 -9.018 19.114 -1.145 1.00 33.15 C ATOM 353 CG MET A 24 -9.241 17.989 -2.142 1.00 32.41 C ATOM 354 SD MET A 24 -7.698 17.331 -2.803 1.00 71.12 S ATOM 355 CE MET A 24 -7.746 15.655 -2.172 1.00 54.23 C ATOM 0 H MET A 24 -10.307 18.623 0.925 1.00 31.32 H new ATOM 0 HA MET A 24 -7.740 17.780 -0.045 1.00 75.15 H new ATOM 0 HB2 MET A 24 -9.977 19.577 -0.912 1.00 33.15 H new ATOM 0 HB3 MET A 24 -8.397 19.881 -1.608 1.00 33.15 H new ATOM 0 HG2 MET A 24 -9.797 17.185 -1.659 1.00 32.41 H new ATOM 0 HG3 MET A 24 -9.857 18.354 -2.964 1.00 32.41 H new ATOM 0 HE1 MET A 24 -6.855 15.118 -2.497 1.00 54.23 H new ATOM 0 HE2 MET A 24 -7.779 15.677 -1.083 1.00 54.23 H new ATOM 0 HE3 MET A 24 -8.633 15.149 -2.552 1.00 54.23 H new ATOM 365 N LYS A 25 -8.047 20.667 1.477 1.00 32.33 N ATOM 366 CA LYS A 25 -7.302 21.775 2.062 1.00 25.22 C ATOM 367 C LYS A 25 -6.236 21.264 3.027 1.00 44.55 C ATOM 368 O LYS A 25 -5.235 21.937 3.275 1.00 5.33 O ATOM 369 CB LYS A 25 -8.252 22.727 2.793 1.00 64.43 C ATOM 370 CG LYS A 25 -8.523 24.015 2.036 1.00 43.15 C ATOM 371 CD LYS A 25 -9.165 23.744 0.686 1.00 73.15 C ATOM 372 CE LYS A 25 -9.196 24.995 -0.179 1.00 2.24 C ATOM 373 NZ LYS A 25 -10.232 25.961 0.280 1.00 33.03 N ATOM 0 H LYS A 25 -9.039 20.654 1.716 1.00 32.33 H new ATOM 0 HA LYS A 25 -6.808 22.314 1.254 1.00 25.22 H new ATOM 0 HB2 LYS A 25 -9.198 22.216 2.974 1.00 64.43 H new ATOM 0 HB3 LYS A 25 -7.830 22.970 3.768 1.00 64.43 H new ATOM 0 HG2 LYS A 25 -9.176 24.656 2.628 1.00 43.15 H new ATOM 0 HG3 LYS A 25 -7.589 24.558 1.893 1.00 43.15 H new ATOM 0 HD2 LYS A 25 -8.613 22.958 0.171 1.00 73.15 H new ATOM 0 HD3 LYS A 25 -10.181 23.377 0.832 1.00 73.15 H new ATOM 0 HE2 LYS A 25 -8.218 25.475 -0.159 1.00 2.24 H new ATOM 0 HE3 LYS A 25 -9.393 24.716 -1.214 1.00 2.24 H new ATOM 0 HZ1 LYS A 25 -10.040 26.897 -0.131 1.00 33.03 H new ATOM 0 HZ2 LYS A 25 -11.171 25.635 -0.026 1.00 33.03 H new ATOM 0 HZ3 LYS A 25 -10.210 26.027 1.318 1.00 33.03 H new ATOM 387 N THR A 26 -6.456 20.070 3.567 1.00 64.33 N ATOM 388 CA THR A 26 -5.514 19.469 4.503 1.00 11.21 C ATOM 389 C THR A 26 -4.102 19.456 3.930 1.00 4.12 C ATOM 390 O THR A 26 -3.120 19.463 4.673 1.00 64.41 O ATOM 391 CB THR A 26 -5.923 18.029 4.864 1.00 23.43 C ATOM 392 OG1 THR A 26 -5.354 17.660 6.126 1.00 74.12 O ATOM 393 CG2 THR A 26 -5.466 17.051 3.792 1.00 41.44 C ATOM 0 H THR A 26 -7.279 19.500 3.372 1.00 64.33 H new ATOM 0 HA THR A 26 -5.531 20.081 5.405 1.00 11.21 H new ATOM 0 HB THR A 26 -7.010 17.990 4.930 1.00 23.43 H new ATOM 0 HG1 THR A 26 -5.620 16.744 6.349 1.00 74.12 H new ATOM 0 HG21 THR A 26 -5.766 16.041 4.069 1.00 41.44 H new ATOM 0 HG22 THR A 26 -5.923 17.317 2.839 1.00 41.44 H new ATOM 0 HG23 THR A 26 -4.381 17.094 3.699 1.00 41.44 H new ATOM 401 N PHE A 27 -4.006 19.438 2.605 1.00 43.41 N ATOM 402 CA PHE A 27 -2.712 19.424 1.932 1.00 0.31 C ATOM 403 C PHE A 27 -2.430 20.768 1.267 1.00 11.41 C ATOM 404 O PHE A 27 -3.196 21.226 0.419 1.00 13.52 O ATOM 405 CB PHE A 27 -2.669 18.307 0.888 1.00 64.22 C ATOM 406 CG PHE A 27 -1.518 17.359 1.071 1.00 4.42 C ATOM 407 CD1 PHE A 27 -0.230 17.738 0.728 1.00 41.24 C ATOM 408 CD2 PHE A 27 -1.723 16.090 1.588 1.00 53.34 C ATOM 409 CE1 PHE A 27 0.831 16.868 0.895 1.00 73.04 C ATOM 410 CE2 PHE A 27 -0.666 15.216 1.757 1.00 34.24 C ATOM 411 CZ PHE A 27 0.612 15.606 1.411 1.00 25.33 C ATOM 0 H PHE A 27 -4.809 19.433 1.976 1.00 43.41 H new ATOM 0 HA PHE A 27 -1.942 19.241 2.682 1.00 0.31 H new ATOM 0 HB2 PHE A 27 -3.602 17.745 0.930 1.00 64.22 H new ATOM 0 HB3 PHE A 27 -2.609 18.751 -0.106 1.00 64.22 H new ATOM 0 HD1 PHE A 27 -0.053 18.724 0.326 1.00 41.24 H new ATOM 0 HD2 PHE A 27 -2.721 15.780 1.862 1.00 53.34 H new ATOM 0 HE1 PHE A 27 1.830 17.175 0.622 1.00 73.04 H new ATOM 0 HE2 PHE A 27 -0.840 14.229 2.159 1.00 34.24 H new ATOM 0 HZ PHE A 27 1.440 14.925 1.544 1.00 25.33 H new ATOM 421 N ASP A 28 -1.326 21.395 1.659 1.00 53.25 N ATOM 422 CA ASP A 28 -0.942 22.687 1.101 1.00 63.30 C ATOM 423 C ASP A 28 -0.888 22.627 -0.422 1.00 73.34 C ATOM 424 O ASP A 28 -1.090 23.634 -1.102 1.00 61.42 O ATOM 425 CB ASP A 28 0.416 23.121 1.655 1.00 42.34 C ATOM 426 CG ASP A 28 0.566 24.629 1.702 1.00 2.24 C ATOM 427 OD1 ASP A 28 -0.368 25.304 2.184 1.00 32.31 O ATOM 428 OD2 ASP A 28 1.618 25.135 1.259 1.00 23.40 O ATOM 0 H ASP A 28 -0.682 21.030 2.360 1.00 53.25 H new ATOM 0 HA ASP A 28 -1.696 23.419 1.391 1.00 63.30 H new ATOM 0 HB2 ASP A 28 0.543 22.715 2.658 1.00 42.34 H new ATOM 0 HB3 ASP A 28 1.209 22.699 1.038 1.00 42.34 H new ATOM 433 N THR A 29 -0.614 21.439 -0.954 1.00 11.23 N ATOM 434 CA THR A 29 -0.532 21.248 -2.396 1.00 63.11 C ATOM 435 C THR A 29 -1.784 21.768 -3.092 1.00 40.33 C ATOM 436 O THR A 29 -1.714 22.310 -4.196 1.00 5.15 O ATOM 437 CB THR A 29 -0.338 19.763 -2.756 1.00 20.33 C ATOM 438 OG1 THR A 29 -1.221 18.950 -1.974 1.00 41.21 O ATOM 439 CG2 THR A 29 1.101 19.331 -2.517 1.00 1.32 C ATOM 0 H THR A 29 -0.445 20.595 -0.407 1.00 11.23 H new ATOM 0 HA THR A 29 0.333 21.814 -2.741 1.00 63.11 H new ATOM 0 HB THR A 29 -0.568 19.636 -3.814 1.00 20.33 H new ATOM 0 HG1 THR A 29 -1.454 18.142 -2.478 1.00 41.21 H new ATOM 0 HG21 THR A 29 1.213 18.279 -2.778 1.00 1.32 H new ATOM 0 HG22 THR A 29 1.769 19.932 -3.135 1.00 1.32 H new ATOM 0 HG23 THR A 29 1.354 19.473 -1.466 1.00 1.32 H new ATOM 447 N VAL A 30 -2.930 21.601 -2.441 1.00 15.34 N ATOM 448 CA VAL A 30 -4.199 22.056 -2.997 1.00 12.24 C ATOM 449 C VAL A 30 -4.306 23.576 -2.950 1.00 12.32 C ATOM 450 O VAL A 30 -4.029 24.196 -1.924 1.00 11.04 O ATOM 451 CB VAL A 30 -5.394 21.445 -2.241 1.00 73.14 C ATOM 452 CG1 VAL A 30 -6.706 21.981 -2.794 1.00 72.44 C ATOM 453 CG2 VAL A 30 -5.354 19.926 -2.320 1.00 45.34 C ATOM 0 H VAL A 30 -3.006 21.154 -1.527 1.00 15.34 H new ATOM 0 HA VAL A 30 -4.227 21.724 -4.035 1.00 12.24 H new ATOM 0 HB VAL A 30 -5.324 21.734 -1.192 1.00 73.14 H new ATOM 0 HG11 VAL A 30 -7.539 21.538 -2.248 1.00 72.44 H new ATOM 0 HG12 VAL A 30 -6.733 23.065 -2.681 1.00 72.44 H new ATOM 0 HG13 VAL A 30 -6.787 21.724 -3.850 1.00 72.44 H new ATOM 0 HG21 VAL A 30 -6.205 19.511 -1.781 1.00 45.34 H new ATOM 0 HG22 VAL A 30 -5.399 19.615 -3.364 1.00 45.34 H new ATOM 0 HG23 VAL A 30 -4.429 19.563 -1.872 1.00 45.34 H new ATOM 463 N GLU A 31 -4.711 24.170 -4.068 1.00 44.42 N ATOM 464 CA GLU A 31 -4.854 25.619 -4.154 1.00 61.01 C ATOM 465 C GLU A 31 -6.325 26.017 -4.227 1.00 73.23 C ATOM 466 O GLU A 31 -6.756 26.967 -3.574 1.00 24.41 O ATOM 467 CB GLU A 31 -4.108 26.156 -5.377 1.00 64.12 C ATOM 468 CG GLU A 31 -3.895 27.660 -5.349 1.00 13.23 C ATOM 469 CD GLU A 31 -2.888 28.127 -6.382 1.00 21.25 C ATOM 470 OE1 GLU A 31 -2.892 27.579 -7.504 1.00 35.32 O ATOM 471 OE2 GLU A 31 -2.095 29.039 -6.068 1.00 52.20 O ATOM 0 H GLU A 31 -4.946 23.671 -4.926 1.00 44.42 H new ATOM 0 HA GLU A 31 -4.422 26.055 -3.253 1.00 61.01 H new ATOM 0 HB2 GLU A 31 -3.139 25.662 -5.447 1.00 64.12 H new ATOM 0 HB3 GLU A 31 -4.665 25.893 -6.276 1.00 64.12 H new ATOM 0 HG2 GLU A 31 -4.847 28.161 -5.523 1.00 13.23 H new ATOM 0 HG3 GLU A 31 -3.556 27.957 -4.357 1.00 13.23 H new ATOM 478 N ALA A 32 -7.091 25.283 -5.028 1.00 53.10 N ATOM 479 CA ALA A 32 -8.514 25.558 -5.186 1.00 71.53 C ATOM 480 C ALA A 32 -9.262 24.319 -5.668 1.00 62.02 C ATOM 481 O ALA A 32 -8.658 23.380 -6.188 1.00 14.13 O ATOM 482 CB ALA A 32 -8.724 26.713 -6.154 1.00 13.05 C ATOM 0 H ALA A 32 -6.750 24.494 -5.577 1.00 53.10 H new ATOM 0 HA ALA A 32 -8.915 25.837 -4.212 1.00 71.53 H new ATOM 0 HB1 ALA A 32 -9.791 26.907 -6.262 1.00 13.05 H new ATOM 0 HB2 ALA A 32 -8.230 27.605 -5.769 1.00 13.05 H new ATOM 0 HB3 ALA A 32 -8.302 26.455 -7.125 1.00 13.05 H new ATOM 488 N VAL A 33 -10.579 24.323 -5.492 1.00 34.11 N ATOM 489 CA VAL A 33 -11.410 23.199 -5.909 1.00 42.53 C ATOM 490 C VAL A 33 -12.621 23.676 -6.702 1.00 54.52 C ATOM 491 O VAL A 33 -13.199 24.722 -6.404 1.00 32.24 O ATOM 492 CB VAL A 33 -11.893 22.378 -4.699 1.00 41.50 C ATOM 493 CG1 VAL A 33 -12.777 21.227 -5.153 1.00 54.32 C ATOM 494 CG2 VAL A 33 -10.707 21.866 -3.896 1.00 30.20 C ATOM 0 H VAL A 33 -11.094 25.092 -5.063 1.00 34.11 H new ATOM 0 HA VAL A 33 -10.790 22.566 -6.544 1.00 42.53 H new ATOM 0 HB VAL A 33 -12.486 23.027 -4.055 1.00 41.50 H new ATOM 0 HG11 VAL A 33 -13.109 20.658 -4.284 1.00 54.32 H new ATOM 0 HG12 VAL A 33 -13.645 21.621 -5.681 1.00 54.32 H new ATOM 0 HG13 VAL A 33 -12.212 20.575 -5.819 1.00 54.32 H new ATOM 0 HG21 VAL A 33 -11.066 21.288 -3.045 1.00 30.20 H new ATOM 0 HG22 VAL A 33 -10.086 21.232 -4.529 1.00 30.20 H new ATOM 0 HG23 VAL A 33 -10.118 22.711 -3.538 1.00 30.20 H new ATOM 504 N ARG A 34 -13.001 22.903 -7.714 1.00 15.00 N ATOM 505 CA ARG A 34 -14.145 23.247 -8.551 1.00 24.20 C ATOM 506 C ARG A 34 -14.953 22.002 -8.905 1.00 12.22 C ATOM 507 O ARG A 34 -14.394 20.966 -9.265 1.00 4.23 O ATOM 508 CB ARG A 34 -13.676 23.944 -9.829 1.00 52.25 C ATOM 509 CG ARG A 34 -13.359 25.418 -9.638 1.00 52.31 C ATOM 510 CD ARG A 34 -14.593 26.204 -9.224 1.00 54.41 C ATOM 511 NE ARG A 34 -14.554 27.581 -9.710 1.00 72.13 N ATOM 512 CZ ARG A 34 -15.518 28.467 -9.487 1.00 33.01 C ATOM 513 NH1 ARG A 34 -16.591 28.122 -8.788 1.00 52.33 N ATOM 514 NH2 ARG A 34 -15.410 29.701 -9.962 1.00 50.12 N ATOM 0 H ARG A 34 -12.534 22.034 -7.974 1.00 15.00 H new ATOM 0 HA ARG A 34 -14.785 23.926 -7.988 1.00 24.20 H new ATOM 0 HB2 ARG A 34 -12.788 23.436 -10.205 1.00 52.25 H new ATOM 0 HB3 ARG A 34 -14.448 23.843 -10.592 1.00 52.25 H new ATOM 0 HG2 ARG A 34 -12.584 25.529 -8.880 1.00 52.31 H new ATOM 0 HG3 ARG A 34 -12.959 25.828 -10.565 1.00 52.31 H new ATOM 0 HD2 ARG A 34 -15.484 25.709 -9.609 1.00 54.41 H new ATOM 0 HD3 ARG A 34 -14.674 26.205 -8.137 1.00 54.41 H new ATOM 0 HE ARG A 34 -13.742 27.878 -10.250 1.00 72.13 H new ATOM 0 HH11 ARG A 34 -16.677 27.174 -8.420 1.00 52.33 H new ATOM 0 HH12 ARG A 34 -17.330 28.804 -8.618 1.00 52.33 H new ATOM 0 HH21 ARG A 34 -14.586 29.970 -10.499 1.00 50.12 H new ATOM 0 HH22 ARG A 34 -16.151 30.380 -9.790 1.00 50.12 H new ATOM 528 N LYS A 35 -16.273 22.111 -8.799 1.00 73.14 N ATOM 529 CA LYS A 35 -17.160 20.996 -9.108 1.00 75.15 C ATOM 530 C LYS A 35 -17.264 20.785 -10.616 1.00 35.24 C ATOM 531 O LYS A 35 -17.119 21.726 -11.395 1.00 50.32 O ATOM 532 CB LYS A 35 -18.551 21.246 -8.521 1.00 31.34 C ATOM 533 CG LYS A 35 -19.364 22.269 -9.295 1.00 30.30 C ATOM 534 CD LYS A 35 -20.407 21.601 -10.176 1.00 3.20 C ATOM 535 CE LYS A 35 -21.496 20.939 -9.346 1.00 52.33 C ATOM 536 NZ LYS A 35 -22.063 19.743 -10.028 1.00 71.13 N ATOM 0 H LYS A 35 -16.752 22.961 -8.501 1.00 73.14 H new ATOM 0 HA LYS A 35 -16.740 20.095 -8.660 1.00 75.15 H new ATOM 0 HB2 LYS A 35 -19.099 20.304 -8.494 1.00 31.34 H new ATOM 0 HB3 LYS A 35 -18.446 21.583 -7.490 1.00 31.34 H new ATOM 0 HG2 LYS A 35 -19.856 22.947 -8.598 1.00 30.30 H new ATOM 0 HG3 LYS A 35 -18.698 22.873 -9.912 1.00 30.30 H new ATOM 0 HD2 LYS A 35 -20.853 22.342 -10.839 1.00 3.20 H new ATOM 0 HD3 LYS A 35 -19.926 20.855 -10.809 1.00 3.20 H new ATOM 0 HE2 LYS A 35 -21.088 20.646 -8.379 1.00 52.33 H new ATOM 0 HE3 LYS A 35 -22.292 21.658 -9.152 1.00 52.33 H new ATOM 0 HZ1 LYS A 35 -22.148 18.962 -9.346 1.00 71.13 H new ATOM 0 HZ2 LYS A 35 -23.003 19.974 -10.409 1.00 71.13 H new ATOM 0 HZ3 LYS A 35 -21.435 19.457 -10.806 1.00 71.13 H new ATOM 550 N SER A 36 -17.518 19.544 -11.019 1.00 33.13 N ATOM 551 CA SER A 36 -17.640 19.209 -12.433 1.00 4.42 C ATOM 552 C SER A 36 -19.079 19.376 -12.909 1.00 54.40 C ATOM 553 O SER A 36 -19.986 18.692 -12.433 1.00 44.41 O ATOM 554 CB SER A 36 -17.172 17.774 -12.681 1.00 44.10 C ATOM 555 OG SER A 36 -15.786 17.733 -12.973 1.00 64.04 O ATOM 0 H SER A 36 -17.643 18.754 -10.386 1.00 33.13 H new ATOM 0 HA SER A 36 -17.007 19.893 -12.999 1.00 4.42 H new ATOM 0 HB2 SER A 36 -17.380 17.163 -11.802 1.00 44.10 H new ATOM 0 HB3 SER A 36 -17.734 17.343 -13.509 1.00 44.10 H new ATOM 0 HG SER A 36 -15.543 16.835 -13.281 1.00 64.04 H new ATOM 561 N ASP A 37 -19.282 20.291 -13.851 1.00 63.34 N ATOM 562 CA ASP A 37 -20.611 20.548 -14.394 1.00 45.30 C ATOM 563 C ASP A 37 -21.151 19.318 -15.116 1.00 22.44 C ATOM 564 O ASP A 37 -22.353 19.051 -15.096 1.00 12.20 O ATOM 565 CB ASP A 37 -20.571 21.740 -15.352 1.00 13.23 C ATOM 566 CG ASP A 37 -19.731 21.466 -16.584 1.00 34.44 C ATOM 567 OD1 ASP A 37 -18.573 21.025 -16.426 1.00 51.44 O ATOM 568 OD2 ASP A 37 -20.233 21.690 -17.705 1.00 5.20 O ATOM 0 H ASP A 37 -18.543 20.867 -14.254 1.00 63.34 H new ATOM 0 HA ASP A 37 -21.277 20.780 -13.563 1.00 45.30 H new ATOM 0 HB2 ASP A 37 -21.587 21.991 -15.657 1.00 13.23 H new ATOM 0 HB3 ASP A 37 -20.171 22.609 -14.829 1.00 13.23 H new ATOM 573 N LEU A 38 -20.255 18.571 -15.753 1.00 14.23 N ATOM 574 CA LEU A 38 -20.642 17.368 -16.482 1.00 40.52 C ATOM 575 C LEU A 38 -20.984 16.235 -15.521 1.00 32.12 C ATOM 576 O LEU A 38 -21.948 15.499 -15.732 1.00 31.55 O ATOM 577 CB LEU A 38 -19.515 16.934 -17.421 1.00 74.51 C ATOM 578 CG LEU A 38 -18.983 18.006 -18.373 1.00 32.43 C ATOM 579 CD1 LEU A 38 -17.540 17.713 -18.753 1.00 72.34 C ATOM 580 CD2 LEU A 38 -19.857 18.097 -19.615 1.00 64.25 C ATOM 0 H LEU A 38 -19.256 18.777 -15.779 1.00 14.23 H new ATOM 0 HA LEU A 38 -21.530 17.599 -17.071 1.00 40.52 H new ATOM 0 HB2 LEU A 38 -18.685 16.570 -16.816 1.00 74.51 H new ATOM 0 HB3 LEU A 38 -19.869 16.092 -18.016 1.00 74.51 H new ATOM 0 HG LEU A 38 -19.014 18.968 -17.861 1.00 32.43 H new ATOM 0 HD11 LEU A 38 -17.178 18.486 -19.431 1.00 72.34 H new ATOM 0 HD12 LEU A 38 -16.923 17.700 -17.855 1.00 72.34 H new ATOM 0 HD13 LEU A 38 -17.483 16.743 -19.246 1.00 72.34 H new ATOM 0 HD21 LEU A 38 -19.464 18.865 -20.281 1.00 64.25 H new ATOM 0 HD22 LEU A 38 -19.859 17.136 -20.130 1.00 64.25 H new ATOM 0 HD23 LEU A 38 -20.875 18.355 -19.325 1.00 64.25 H new ATOM 592 N ASP A 39 -20.190 16.102 -14.464 1.00 41.23 N ATOM 593 CA ASP A 39 -20.411 15.060 -13.468 1.00 5.41 C ATOM 594 C ASP A 39 -20.487 15.657 -12.066 1.00 23.21 C ATOM 595 O ASP A 39 -19.512 16.218 -11.566 1.00 0.24 O ATOM 596 CB ASP A 39 -19.293 14.018 -13.532 1.00 43.43 C ATOM 597 CG ASP A 39 -19.332 13.205 -14.811 1.00 51.43 C ATOM 598 OD1 ASP A 39 -20.141 12.257 -14.886 1.00 51.34 O ATOM 599 OD2 ASP A 39 -18.553 13.517 -15.737 1.00 33.41 O ATOM 0 H ASP A 39 -19.388 16.703 -14.275 1.00 41.23 H new ATOM 0 HA ASP A 39 -21.362 14.575 -13.690 1.00 5.41 H new ATOM 0 HB2 ASP A 39 -18.328 14.519 -13.453 1.00 43.43 H new ATOM 0 HB3 ASP A 39 -19.375 13.348 -12.676 1.00 43.43 H new ATOM 604 N ASP A 40 -21.651 15.532 -11.438 1.00 63.11 N ATOM 605 CA ASP A 40 -21.855 16.059 -10.094 1.00 24.55 C ATOM 606 C ASP A 40 -21.011 15.295 -9.077 1.00 41.23 C ATOM 607 O ASP A 40 -20.695 15.812 -8.005 1.00 70.42 O ATOM 608 CB ASP A 40 -23.333 15.979 -9.710 1.00 71.32 C ATOM 609 CG ASP A 40 -23.722 17.022 -8.681 1.00 44.23 C ATOM 610 OD1 ASP A 40 -22.918 17.274 -7.759 1.00 11.23 O ATOM 611 OD2 ASP A 40 -24.829 17.587 -8.799 1.00 4.41 O ATOM 0 H ASP A 40 -22.468 15.070 -11.838 1.00 63.11 H new ATOM 0 HA ASP A 40 -21.542 17.103 -10.089 1.00 24.55 H new ATOM 0 HB2 ASP A 40 -23.945 16.108 -10.603 1.00 71.32 H new ATOM 0 HB3 ASP A 40 -23.550 14.986 -9.316 1.00 71.32 H new ATOM 616 N ARG A 41 -20.650 14.063 -9.421 1.00 54.23 N ATOM 617 CA ARG A 41 -19.846 13.228 -8.538 1.00 65.11 C ATOM 618 C ARG A 41 -18.365 13.328 -8.895 1.00 73.10 C ATOM 619 O ARG A 41 -17.607 12.375 -8.715 1.00 42.13 O ATOM 620 CB ARG A 41 -20.304 11.771 -8.621 1.00 61.25 C ATOM 621 CG ARG A 41 -21.814 11.603 -8.568 1.00 3.34 C ATOM 622 CD ARG A 41 -22.372 12.015 -7.214 1.00 41.24 C ATOM 623 NE ARG A 41 -23.825 12.155 -7.242 1.00 13.35 N ATOM 624 CZ ARG A 41 -24.663 11.125 -7.222 1.00 74.12 C ATOM 625 NH1 ARG A 41 -24.195 9.886 -7.175 1.00 64.43 N ATOM 626 NH2 ARG A 41 -25.974 11.333 -7.249 1.00 44.21 N ATOM 0 H ARG A 41 -20.902 13.621 -10.305 1.00 54.23 H new ATOM 0 HA ARG A 41 -19.982 13.586 -7.518 1.00 65.11 H new ATOM 0 HB2 ARG A 41 -19.931 11.334 -9.547 1.00 61.25 H new ATOM 0 HB3 ARG A 41 -19.856 11.211 -7.801 1.00 61.25 H new ATOM 0 HG2 ARG A 41 -22.276 12.204 -9.351 1.00 3.34 H new ATOM 0 HG3 ARG A 41 -22.073 10.563 -8.769 1.00 3.34 H new ATOM 0 HD2 ARG A 41 -22.093 11.273 -6.466 1.00 41.24 H new ATOM 0 HD3 ARG A 41 -21.922 12.960 -6.909 1.00 41.24 H new ATOM 0 HE ARG A 41 -24.218 13.096 -7.279 1.00 13.35 H new ATOM 0 HH11 ARG A 41 -23.189 9.721 -7.154 1.00 64.43 H new ATOM 0 HH12 ARG A 41 -24.841 9.097 -7.160 1.00 64.43 H new ATOM 0 HH21 ARG A 41 -26.339 12.285 -7.285 1.00 44.21 H new ATOM 0 HH22 ARG A 41 -26.616 10.541 -7.234 1.00 44.21 H new ATOM 640 N VAL A 42 -17.961 14.488 -9.402 1.00 52.33 N ATOM 641 CA VAL A 42 -16.572 14.713 -9.784 1.00 52.41 C ATOM 642 C VAL A 42 -16.123 16.124 -9.419 1.00 35.25 C ATOM 643 O VAL A 42 -16.884 17.083 -9.553 1.00 20.25 O ATOM 644 CB VAL A 42 -16.363 14.495 -11.294 1.00 42.24 C ATOM 645 CG1 VAL A 42 -14.904 14.709 -11.668 1.00 22.33 C ATOM 646 CG2 VAL A 42 -16.828 13.105 -11.701 1.00 22.12 C ATOM 0 H VAL A 42 -18.576 15.287 -9.558 1.00 52.33 H new ATOM 0 HA VAL A 42 -15.971 13.989 -9.233 1.00 52.41 H new ATOM 0 HB VAL A 42 -16.963 15.227 -11.835 1.00 42.24 H new ATOM 0 HG11 VAL A 42 -14.776 14.551 -12.739 1.00 22.33 H new ATOM 0 HG12 VAL A 42 -14.609 15.727 -11.414 1.00 22.33 H new ATOM 0 HG13 VAL A 42 -14.280 14.003 -11.120 1.00 22.33 H new ATOM 0 HG21 VAL A 42 -16.673 12.968 -12.771 1.00 22.12 H new ATOM 0 HG22 VAL A 42 -16.257 12.355 -11.153 1.00 22.12 H new ATOM 0 HG23 VAL A 42 -17.888 12.994 -11.471 1.00 22.12 H new ATOM 656 N TYR A 43 -14.884 16.243 -8.957 1.00 22.04 N ATOM 657 CA TYR A 43 -14.333 17.537 -8.570 1.00 35.55 C ATOM 658 C TYR A 43 -12.889 17.677 -9.041 1.00 13.22 C ATOM 659 O TYR A 43 -12.086 16.755 -8.900 1.00 54.34 O ATOM 660 CB TYR A 43 -14.406 17.711 -7.052 1.00 4.44 C ATOM 661 CG TYR A 43 -15.705 18.318 -6.573 1.00 51.51 C ATOM 662 CD1 TYR A 43 -16.842 17.537 -6.412 1.00 32.24 C ATOM 663 CD2 TYR A 43 -15.795 19.674 -6.282 1.00 12.14 C ATOM 664 CE1 TYR A 43 -18.032 18.088 -5.975 1.00 64.44 C ATOM 665 CE2 TYR A 43 -16.980 20.233 -5.843 1.00 51.35 C ATOM 666 CZ TYR A 43 -18.095 19.436 -5.692 1.00 55.15 C ATOM 667 OH TYR A 43 -19.278 19.988 -5.256 1.00 51.34 O ATOM 0 H TYR A 43 -14.241 15.459 -8.841 1.00 22.04 H new ATOM 0 HA TYR A 43 -14.928 18.315 -9.048 1.00 35.55 H new ATOM 0 HB2 TYR A 43 -14.272 16.739 -6.577 1.00 4.44 H new ATOM 0 HB3 TYR A 43 -13.579 18.342 -6.727 1.00 4.44 H new ATOM 0 HD1 TYR A 43 -16.796 16.481 -6.632 1.00 32.24 H new ATOM 0 HD2 TYR A 43 -14.924 20.301 -6.401 1.00 12.14 H new ATOM 0 HE1 TYR A 43 -18.907 17.466 -5.856 1.00 64.44 H new ATOM 0 HE2 TYR A 43 -17.033 21.288 -5.619 1.00 51.35 H new ATOM 0 HH TYR A 43 -19.153 20.947 -5.100 1.00 51.34 H new ATOM 677 N MET A 44 -12.567 18.839 -9.600 1.00 61.11 N ATOM 678 CA MET A 44 -11.219 19.102 -10.091 1.00 12.41 C ATOM 679 C MET A 44 -10.399 19.857 -9.049 1.00 60.42 C ATOM 680 O MET A 44 -10.749 20.969 -8.655 1.00 55.11 O ATOM 681 CB MET A 44 -11.275 19.905 -11.392 1.00 50.30 C ATOM 682 CG MET A 44 -12.080 21.190 -11.279 1.00 71.24 C ATOM 683 SD MET A 44 -13.582 21.158 -12.277 1.00 44.11 S ATOM 684 CE MET A 44 -12.891 21.207 -13.929 1.00 74.52 C ATOM 0 H MET A 44 -13.220 19.613 -9.724 1.00 61.11 H new ATOM 0 HA MET A 44 -10.736 18.144 -10.284 1.00 12.41 H new ATOM 0 HB2 MET A 44 -10.259 20.149 -11.703 1.00 50.30 H new ATOM 0 HB3 MET A 44 -11.708 19.283 -12.175 1.00 50.30 H new ATOM 0 HG2 MET A 44 -12.345 21.357 -10.235 1.00 71.24 H new ATOM 0 HG3 MET A 44 -11.460 22.031 -11.589 1.00 71.24 H new ATOM 0 HE1 MET A 44 -13.670 21.477 -14.642 1.00 74.52 H new ATOM 0 HE2 MET A 44 -12.092 21.947 -13.967 1.00 74.52 H new ATOM 0 HE3 MET A 44 -12.490 20.226 -14.185 1.00 74.52 H new ATOM 694 N VAL A 45 -9.306 19.244 -8.606 1.00 64.03 N ATOM 695 CA VAL A 45 -8.435 19.858 -7.611 1.00 13.13 C ATOM 696 C VAL A 45 -7.250 20.553 -8.271 1.00 23.00 C ATOM 697 O VAL A 45 -6.410 19.907 -8.899 1.00 3.30 O ATOM 698 CB VAL A 45 -7.911 18.816 -6.605 1.00 4.52 C ATOM 699 CG1 VAL A 45 -7.150 19.498 -5.477 1.00 53.25 C ATOM 700 CG2 VAL A 45 -9.058 17.981 -6.056 1.00 43.24 C ATOM 0 H VAL A 45 -9.003 18.322 -8.921 1.00 64.03 H new ATOM 0 HA VAL A 45 -9.034 20.597 -7.079 1.00 13.13 H new ATOM 0 HB VAL A 45 -7.223 18.149 -7.125 1.00 4.52 H new ATOM 0 HG11 VAL A 45 -6.787 18.746 -4.776 1.00 53.25 H new ATOM 0 HG12 VAL A 45 -6.304 20.048 -5.889 1.00 53.25 H new ATOM 0 HG13 VAL A 45 -7.813 20.189 -4.957 1.00 53.25 H new ATOM 0 HG21 VAL A 45 -8.669 17.250 -5.347 1.00 43.24 H new ATOM 0 HG22 VAL A 45 -9.773 18.631 -5.552 1.00 43.24 H new ATOM 0 HG23 VAL A 45 -9.555 17.462 -6.876 1.00 43.24 H new ATOM 710 N CYS A 46 -7.188 21.872 -8.124 1.00 64.35 N ATOM 711 CA CYS A 46 -6.104 22.656 -8.707 1.00 72.52 C ATOM 712 C CYS A 46 -4.968 22.840 -7.707 1.00 24.11 C ATOM 713 O CYS A 46 -5.110 23.555 -6.714 1.00 20.42 O ATOM 714 CB CYS A 46 -6.623 24.019 -9.165 1.00 42.34 C ATOM 715 SG CYS A 46 -7.493 23.984 -10.750 1.00 62.20 S ATOM 0 H CYS A 46 -7.875 22.421 -7.607 1.00 64.35 H new ATOM 0 HA CYS A 46 -5.719 22.113 -9.570 1.00 72.52 H new ATOM 0 HB2 CYS A 46 -7.294 24.415 -8.403 1.00 42.34 H new ATOM 0 HB3 CYS A 46 -5.783 24.709 -9.239 1.00 42.34 H new ATOM 0 HG CYS A 46 -7.896 25.183 -11.051 1.00 62.20 H new ATOM 721 N LEU A 47 -3.840 22.190 -7.974 1.00 73.10 N ATOM 722 CA LEU A 47 -2.679 22.281 -7.096 1.00 65.54 C ATOM 723 C LEU A 47 -1.940 23.599 -7.305 1.00 32.22 C ATOM 724 O LEU A 47 -1.923 24.146 -8.408 1.00 24.33 O ATOM 725 CB LEU A 47 -1.731 21.107 -7.349 1.00 60.42 C ATOM 726 CG LEU A 47 -2.358 19.713 -7.288 1.00 44.14 C ATOM 727 CD1 LEU A 47 -1.307 18.644 -7.544 1.00 22.22 C ATOM 728 CD2 LEU A 47 -3.032 19.490 -5.943 1.00 32.12 C ATOM 0 H LEU A 47 -3.705 21.595 -8.791 1.00 73.10 H new ATOM 0 HA LEU A 47 -3.030 22.242 -6.065 1.00 65.54 H new ATOM 0 HB2 LEU A 47 -1.278 21.237 -8.332 1.00 60.42 H new ATOM 0 HB3 LEU A 47 -0.924 21.153 -6.617 1.00 60.42 H new ATOM 0 HG LEU A 47 -3.116 19.642 -8.068 1.00 44.14 H new ATOM 0 HD11 LEU A 47 -1.771 17.659 -7.497 1.00 22.22 H new ATOM 0 HD12 LEU A 47 -0.870 18.792 -8.532 1.00 22.22 H new ATOM 0 HD13 LEU A 47 -0.525 18.714 -6.787 1.00 22.22 H new ATOM 0 HD21 LEU A 47 -3.473 18.493 -5.918 1.00 32.12 H new ATOM 0 HD22 LEU A 47 -2.293 19.581 -5.146 1.00 32.12 H new ATOM 0 HD23 LEU A 47 -3.814 20.236 -5.800 1.00 32.12 H new ATOM 740 N LYS A 48 -1.329 24.104 -6.238 1.00 73.24 N ATOM 741 CA LYS A 48 -0.585 25.356 -6.304 1.00 15.25 C ATOM 742 C LYS A 48 0.527 25.275 -7.344 1.00 72.12 C ATOM 743 O LYS A 48 1.038 24.194 -7.636 1.00 34.13 O ATOM 744 CB LYS A 48 0.007 25.693 -4.933 1.00 41.24 C ATOM 745 CG LYS A 48 -0.856 26.635 -4.112 1.00 53.13 C ATOM 746 CD LYS A 48 -0.175 27.025 -2.811 1.00 62.13 C ATOM 747 CE LYS A 48 -1.190 27.360 -1.729 1.00 43.22 C ATOM 748 NZ LYS A 48 -1.432 28.826 -1.631 1.00 5.24 N ATOM 0 H LYS A 48 -1.335 23.665 -5.317 1.00 73.24 H new ATOM 0 HA LYS A 48 -1.276 26.145 -6.599 1.00 15.25 H new ATOM 0 HB2 LYS A 48 0.155 24.769 -4.374 1.00 41.24 H new ATOM 0 HB3 LYS A 48 0.990 26.143 -5.072 1.00 41.24 H new ATOM 0 HG2 LYS A 48 -1.072 27.531 -4.693 1.00 53.13 H new ATOM 0 HG3 LYS A 48 -1.812 26.158 -3.895 1.00 53.13 H new ATOM 0 HD2 LYS A 48 0.462 26.207 -2.473 1.00 62.13 H new ATOM 0 HD3 LYS A 48 0.473 27.884 -2.982 1.00 62.13 H new ATOM 0 HE2 LYS A 48 -2.130 26.850 -1.942 1.00 43.22 H new ATOM 0 HE3 LYS A 48 -0.835 26.986 -0.769 1.00 43.22 H new ATOM 0 HZ1 LYS A 48 -2.129 29.013 -0.883 1.00 5.24 H new ATOM 0 HZ2 LYS A 48 -0.541 29.311 -1.403 1.00 5.24 H new ATOM 0 HZ3 LYS A 48 -1.795 29.179 -2.539 1.00 5.24 H new ATOM 762 N GLN A 49 0.897 26.425 -7.899 1.00 22.52 N ATOM 763 CA GLN A 49 1.950 26.482 -8.906 1.00 72.13 C ATOM 764 C GLN A 49 3.294 26.072 -8.313 1.00 51.41 C ATOM 765 O GLN A 49 3.873 26.796 -7.504 1.00 42.13 O ATOM 766 CB GLN A 49 2.046 27.891 -9.494 1.00 23.12 C ATOM 767 CG GLN A 49 0.882 28.252 -10.402 1.00 12.53 C ATOM 768 CD GLN A 49 0.867 27.442 -11.683 1.00 30.03 C ATOM 769 OE1 GLN A 49 1.913 27.019 -12.175 1.00 62.23 O ATOM 770 NE2 GLN A 49 -0.323 27.221 -12.230 1.00 25.10 N ATOM 0 H GLN A 49 0.484 27.329 -7.669 1.00 22.52 H new ATOM 0 HA GLN A 49 1.696 25.781 -9.701 1.00 72.13 H new ATOM 0 HB2 GLN A 49 2.098 28.613 -8.679 1.00 23.12 H new ATOM 0 HB3 GLN A 49 2.975 27.978 -10.057 1.00 23.12 H new ATOM 0 HG2 GLN A 49 -0.054 28.094 -9.866 1.00 12.53 H new ATOM 0 HG3 GLN A 49 0.934 29.313 -10.648 1.00 12.53 H new ATOM 0 HE21 GLN A 49 -1.164 27.591 -11.788 1.00 25.10 H new ATOM 0 HE22 GLN A 49 -0.396 26.681 -13.093 1.00 25.10 H new ATOM 779 N GLY A 50 3.785 24.906 -8.721 1.00 73.20 N ATOM 780 CA GLY A 50 5.057 24.420 -8.219 1.00 53.03 C ATOM 781 C GLY A 50 4.892 23.442 -7.073 1.00 5.01 C ATOM 782 O GLY A 50 5.853 23.136 -6.367 1.00 21.22 O ATOM 0 H GLY A 50 3.325 24.289 -9.390 1.00 73.20 H new ATOM 0 HA2 GLY A 50 5.603 23.937 -9.029 1.00 53.03 H new ATOM 0 HA3 GLY A 50 5.660 25.265 -7.887 1.00 53.03 H new ATOM 786 N SER A 51 3.671 22.952 -6.886 1.00 23.52 N ATOM 787 CA SER A 51 3.383 22.007 -5.813 1.00 61.42 C ATOM 788 C SER A 51 3.098 20.617 -6.375 1.00 51.33 C ATOM 789 O SER A 51 2.795 20.463 -7.559 1.00 33.11 O ATOM 790 CB SER A 51 2.190 22.490 -4.986 1.00 71.45 C ATOM 791 OG SER A 51 2.413 23.795 -4.483 1.00 3.12 O ATOM 0 H SER A 51 2.865 23.193 -7.463 1.00 23.52 H new ATOM 0 HA SER A 51 4.261 21.947 -5.170 1.00 61.42 H new ATOM 0 HB2 SER A 51 1.290 22.483 -5.601 1.00 71.45 H new ATOM 0 HB3 SER A 51 2.015 21.803 -4.158 1.00 71.45 H new ATOM 0 HG SER A 51 2.074 23.854 -3.565 1.00 3.12 H new ATOM 797 N THR A 52 3.197 19.607 -5.517 1.00 63.42 N ATOM 798 CA THR A 52 2.952 18.230 -5.926 1.00 72.44 C ATOM 799 C THR A 52 2.293 17.432 -4.806 1.00 45.33 C ATOM 800 O THR A 52 2.875 17.249 -3.737 1.00 12.25 O ATOM 801 CB THR A 52 4.257 17.526 -6.343 1.00 42.12 C ATOM 802 OG1 THR A 52 4.930 18.296 -7.345 1.00 43.23 O ATOM 803 CG2 THR A 52 3.973 16.130 -6.875 1.00 62.53 C ATOM 0 H THR A 52 3.445 19.717 -4.534 1.00 63.42 H new ATOM 0 HA THR A 52 2.280 18.271 -6.783 1.00 72.44 H new ATOM 0 HB THR A 52 4.894 17.439 -5.463 1.00 42.12 H new ATOM 0 HG1 THR A 52 5.512 17.710 -7.872 1.00 43.23 H new ATOM 0 HG21 THR A 52 4.910 15.653 -7.163 1.00 62.53 H new ATOM 0 HG22 THR A 52 3.487 15.537 -6.100 1.00 62.53 H new ATOM 0 HG23 THR A 52 3.318 16.198 -7.744 1.00 62.53 H new ATOM 811 N PHE A 53 1.078 16.959 -5.059 1.00 14.02 N ATOM 812 CA PHE A 53 0.340 16.181 -4.071 1.00 32.33 C ATOM 813 C PHE A 53 0.862 14.749 -4.006 1.00 62.50 C ATOM 814 O PHE A 53 0.597 13.938 -4.894 1.00 43.33 O ATOM 815 CB PHE A 53 -1.153 16.176 -4.405 1.00 53.42 C ATOM 816 CG PHE A 53 -2.037 16.026 -3.200 1.00 72.53 C ATOM 817 CD1 PHE A 53 -1.850 14.977 -2.314 1.00 72.24 C ATOM 818 CD2 PHE A 53 -3.055 16.932 -2.954 1.00 14.32 C ATOM 819 CE1 PHE A 53 -2.662 14.835 -1.204 1.00 45.23 C ATOM 820 CE2 PHE A 53 -3.870 16.796 -1.845 1.00 45.23 C ATOM 821 CZ PHE A 53 -3.673 15.746 -0.970 1.00 72.32 C ATOM 0 H PHE A 53 0.583 17.101 -5.940 1.00 14.02 H new ATOM 0 HA PHE A 53 0.486 16.647 -3.097 1.00 32.33 H new ATOM 0 HB2 PHE A 53 -1.405 17.104 -4.917 1.00 53.42 H new ATOM 0 HB3 PHE A 53 -1.359 15.362 -5.100 1.00 53.42 H new ATOM 0 HD1 PHE A 53 -1.061 14.262 -2.493 1.00 72.24 H new ATOM 0 HD2 PHE A 53 -3.214 17.754 -3.636 1.00 14.32 H new ATOM 0 HE1 PHE A 53 -2.506 14.013 -0.521 1.00 45.23 H new ATOM 0 HE2 PHE A 53 -4.660 17.510 -1.663 1.00 45.23 H new ATOM 0 HZ PHE A 53 -4.309 15.637 -0.104 1.00 72.32 H new ATOM 831 N VAL A 54 1.607 14.444 -2.948 1.00 31.21 N ATOM 832 CA VAL A 54 2.167 13.110 -2.766 1.00 32.13 C ATOM 833 C VAL A 54 1.423 12.346 -1.676 1.00 70.22 C ATOM 834 O VAL A 54 1.190 12.868 -0.585 1.00 23.41 O ATOM 835 CB VAL A 54 3.662 13.174 -2.403 1.00 24.20 C ATOM 836 CG1 VAL A 54 4.200 11.782 -2.107 1.00 0.11 C ATOM 837 CG2 VAL A 54 4.454 13.833 -3.522 1.00 50.22 C ATOM 0 H VAL A 54 1.837 15.103 -2.204 1.00 31.21 H new ATOM 0 HA VAL A 54 2.053 12.586 -3.715 1.00 32.13 H new ATOM 0 HB VAL A 54 3.774 13.780 -1.504 1.00 24.20 H new ATOM 0 HG11 VAL A 54 5.258 11.847 -1.853 1.00 0.11 H new ATOM 0 HG12 VAL A 54 3.651 11.350 -1.270 1.00 0.11 H new ATOM 0 HG13 VAL A 54 4.077 11.150 -2.986 1.00 0.11 H new ATOM 0 HG21 VAL A 54 5.508 13.870 -3.249 1.00 50.22 H new ATOM 0 HG22 VAL A 54 4.337 13.256 -4.439 1.00 50.22 H new ATOM 0 HG23 VAL A 54 4.085 14.846 -3.681 1.00 50.22 H new ATOM 847 N LEU A 55 1.052 11.107 -1.979 1.00 22.45 N ATOM 848 CA LEU A 55 0.334 10.268 -1.024 1.00 44.44 C ATOM 849 C LEU A 55 1.261 9.221 -0.415 1.00 73.23 C ATOM 850 O LEU A 55 1.594 8.225 -1.056 1.00 41.12 O ATOM 851 CB LEU A 55 -0.850 9.583 -1.708 1.00 30.11 C ATOM 852 CG LEU A 55 -2.224 10.202 -1.450 1.00 11.11 C ATOM 853 CD1 LEU A 55 -2.182 11.706 -1.670 1.00 5.32 C ATOM 854 CD2 LEU A 55 -3.275 9.560 -2.344 1.00 42.12 C ATOM 0 H LEU A 55 1.236 10.661 -2.878 1.00 22.45 H new ATOM 0 HA LEU A 55 -0.037 10.907 -0.223 1.00 44.44 H new ATOM 0 HB2 LEU A 55 -0.671 9.580 -2.783 1.00 30.11 H new ATOM 0 HB3 LEU A 55 -0.877 8.542 -1.387 1.00 30.11 H new ATOM 0 HG LEU A 55 -2.496 10.015 -0.411 1.00 11.11 H new ATOM 0 HD11 LEU A 55 -3.169 12.129 -1.482 1.00 5.32 H new ATOM 0 HD12 LEU A 55 -1.459 12.153 -0.988 1.00 5.32 H new ATOM 0 HD13 LEU A 55 -1.888 11.915 -2.698 1.00 5.32 H new ATOM 0 HD21 LEU A 55 -4.247 10.013 -2.147 1.00 42.12 H new ATOM 0 HD22 LEU A 55 -3.008 9.716 -3.389 1.00 42.12 H new ATOM 0 HD23 LEU A 55 -3.324 8.491 -2.137 1.00 42.12 H new ATOM 866 N ASN A 56 1.671 9.452 0.828 1.00 50.14 N ATOM 867 CA ASN A 56 2.558 8.527 1.524 1.00 15.24 C ATOM 868 C ASN A 56 1.861 7.194 1.779 1.00 63.32 C ATOM 869 O ASN A 56 2.501 6.143 1.806 1.00 34.04 O ATOM 870 CB ASN A 56 3.022 9.134 2.850 1.00 33.00 C ATOM 871 CG ASN A 56 4.267 9.985 2.692 1.00 61.32 C ATOM 872 OD1 ASN A 56 4.825 10.090 1.600 1.00 45.53 O ATOM 873 ND2 ASN A 56 4.708 10.596 3.785 1.00 45.22 N ATOM 0 H ASN A 56 1.403 10.271 1.374 1.00 50.14 H new ATOM 0 HA ASN A 56 3.426 8.348 0.890 1.00 15.24 H new ATOM 0 HB2 ASN A 56 2.220 9.742 3.268 1.00 33.00 H new ATOM 0 HB3 ASN A 56 3.220 8.334 3.563 1.00 33.00 H new ATOM 0 HD21 ASN A 56 5.542 11.182 3.741 1.00 45.22 H new ATOM 0 HD22 ASN A 56 4.213 10.480 4.669 1.00 45.22 H new ATOM 880 N GLY A 57 0.546 7.245 1.964 1.00 75.23 N ATOM 881 CA GLY A 57 -0.216 6.035 2.213 1.00 71.12 C ATOM 882 C GLY A 57 -1.039 5.611 1.013 1.00 74.31 C ATOM 883 O GLY A 57 -1.621 4.527 1.002 1.00 32.22 O ATOM 0 H GLY A 57 -0.006 8.103 1.946 1.00 75.23 H new ATOM 0 HA2 GLY A 57 0.466 5.229 2.485 1.00 71.12 H new ATOM 0 HA3 GLY A 57 -0.877 6.194 3.065 1.00 71.12 H new ATOM 887 N GLY A 58 -1.090 6.469 -0.002 1.00 32.14 N ATOM 888 CA GLY A 58 -1.853 6.160 -1.197 1.00 64.11 C ATOM 889 C GLY A 58 -3.284 6.651 -1.115 1.00 33.12 C ATOM 890 O GLY A 58 -3.601 7.528 -0.310 1.00 74.35 O ATOM 0 H GLY A 58 -0.616 7.372 -0.018 1.00 32.14 H new ATOM 0 HA2 GLY A 58 -1.366 6.611 -2.062 1.00 64.11 H new ATOM 0 HA3 GLY A 58 -1.851 5.082 -1.357 1.00 64.11 H new ATOM 894 N ILE A 59 -4.151 6.086 -1.949 1.00 44.43 N ATOM 895 CA ILE A 59 -5.556 6.473 -1.967 1.00 61.24 C ATOM 896 C ILE A 59 -6.318 5.828 -0.815 1.00 12.45 C ATOM 897 O ILE A 59 -7.359 6.328 -0.390 1.00 55.24 O ATOM 898 CB ILE A 59 -6.230 6.082 -3.296 1.00 12.02 C ATOM 899 CG1 ILE A 59 -5.374 6.536 -4.480 1.00 74.01 C ATOM 900 CG2 ILE A 59 -7.624 6.686 -3.380 1.00 41.11 C ATOM 901 CD1 ILE A 59 -5.211 8.037 -4.567 1.00 43.21 C ATOM 0 H ILE A 59 -3.905 5.359 -2.621 1.00 44.43 H new ATOM 0 HA ILE A 59 -5.587 7.557 -1.858 1.00 61.24 H new ATOM 0 HB ILE A 59 -6.323 4.997 -3.334 1.00 12.02 H new ATOM 0 HG12 ILE A 59 -4.389 6.076 -4.404 1.00 74.01 H new ATOM 0 HG13 ILE A 59 -5.825 6.173 -5.404 1.00 74.01 H new ATOM 0 HG21 ILE A 59 -8.088 6.401 -4.324 1.00 41.11 H new ATOM 0 HG22 ILE A 59 -8.230 6.318 -2.552 1.00 41.11 H new ATOM 0 HG23 ILE A 59 -7.554 7.772 -3.323 1.00 41.11 H new ATOM 0 HD11 ILE A 59 -4.593 8.286 -5.429 1.00 43.21 H new ATOM 0 HD12 ILE A 59 -6.190 8.504 -4.675 1.00 43.21 H new ATOM 0 HD13 ILE A 59 -4.732 8.404 -3.659 1.00 43.21 H new ATOM 913 N GLU A 60 -5.790 4.717 -0.311 1.00 74.12 N ATOM 914 CA GLU A 60 -6.421 4.005 0.794 1.00 73.11 C ATOM 915 C GLU A 60 -6.494 4.886 2.038 1.00 61.21 C ATOM 916 O GLU A 60 -7.529 4.959 2.699 1.00 31.31 O ATOM 917 CB GLU A 60 -5.651 2.721 1.109 1.00 43.20 C ATOM 918 CG GLU A 60 -5.829 1.632 0.065 1.00 54.14 C ATOM 919 CD GLU A 60 -5.519 0.250 0.604 1.00 20.55 C ATOM 920 OE1 GLU A 60 -4.858 0.159 1.660 1.00 60.31 O ATOM 921 OE2 GLU A 60 -5.938 -0.742 -0.029 1.00 41.12 O ATOM 0 H GLU A 60 -4.928 4.291 -0.650 1.00 74.12 H new ATOM 0 HA GLU A 60 -7.436 3.746 0.493 1.00 73.11 H new ATOM 0 HB2 GLU A 60 -4.591 2.956 1.199 1.00 43.20 H new ATOM 0 HB3 GLU A 60 -5.976 2.341 2.077 1.00 43.20 H new ATOM 0 HG2 GLU A 60 -6.854 1.652 -0.304 1.00 54.14 H new ATOM 0 HG3 GLU A 60 -5.180 1.840 -0.786 1.00 54.14 H new ATOM 928 N GLU A 61 -5.387 5.552 2.350 1.00 44.25 N ATOM 929 CA GLU A 61 -5.325 6.427 3.515 1.00 64.24 C ATOM 930 C GLU A 61 -6.133 7.700 3.283 1.00 41.13 C ATOM 931 O GLU A 61 -6.718 8.256 4.213 1.00 4.24 O ATOM 932 CB GLU A 61 -3.872 6.783 3.836 1.00 44.34 C ATOM 933 CG GLU A 61 -3.286 7.840 2.914 1.00 73.13 C ATOM 934 CD GLU A 61 -3.499 9.249 3.432 1.00 72.00 C ATOM 935 OE1 GLU A 61 -2.942 9.578 4.500 1.00 1.01 O ATOM 936 OE2 GLU A 61 -4.223 10.022 2.770 1.00 3.13 O ATOM 0 H GLU A 61 -4.521 5.503 1.813 1.00 44.25 H new ATOM 0 HA GLU A 61 -5.756 5.893 4.362 1.00 64.24 H new ATOM 0 HB2 GLU A 61 -3.812 7.137 4.865 1.00 44.34 H new ATOM 0 HB3 GLU A 61 -3.263 5.881 3.774 1.00 44.34 H new ATOM 0 HG2 GLU A 61 -2.218 7.659 2.793 1.00 73.13 H new ATOM 0 HG3 GLU A 61 -3.739 7.747 1.927 1.00 73.13 H new ATOM 943 N LEU A 62 -6.161 8.157 2.036 1.00 61.03 N ATOM 944 CA LEU A 62 -6.897 9.365 1.680 1.00 42.32 C ATOM 945 C LEU A 62 -8.399 9.156 1.843 1.00 2.13 C ATOM 946 O LEU A 62 -9.125 10.073 2.227 1.00 11.12 O ATOM 947 CB LEU A 62 -6.581 9.773 0.240 1.00 41.03 C ATOM 948 CG LEU A 62 -6.743 11.258 -0.088 1.00 62.34 C ATOM 949 CD1 LEU A 62 -5.807 12.098 0.766 1.00 1.41 C ATOM 950 CD2 LEU A 62 -6.487 11.508 -1.567 1.00 62.05 C ATOM 0 H LEU A 62 -5.682 7.709 1.254 1.00 61.03 H new ATOM 0 HA LEU A 62 -6.585 10.162 2.354 1.00 42.32 H new ATOM 0 HB2 LEU A 62 -5.554 9.482 0.018 1.00 41.03 H new ATOM 0 HB3 LEU A 62 -7.225 9.201 -0.428 1.00 41.03 H new ATOM 0 HG LEU A 62 -7.768 11.551 0.138 1.00 62.34 H new ATOM 0 HD11 LEU A 62 -5.936 13.152 0.519 1.00 1.41 H new ATOM 0 HD12 LEU A 62 -6.037 11.942 1.820 1.00 1.41 H new ATOM 0 HD13 LEU A 62 -4.775 11.804 0.572 1.00 1.41 H new ATOM 0 HD21 LEU A 62 -6.607 12.570 -1.783 1.00 62.05 H new ATOM 0 HD22 LEU A 62 -5.472 11.199 -1.818 1.00 62.05 H new ATOM 0 HD23 LEU A 62 -7.198 10.935 -2.161 1.00 62.05 H new ATOM 962 N ARG A 63 -8.857 7.943 1.551 1.00 14.44 N ATOM 963 CA ARG A 63 -10.273 7.613 1.667 1.00 3.41 C ATOM 964 C ARG A 63 -10.736 7.705 3.118 1.00 5.02 C ATOM 965 O ARG A 63 -11.850 8.147 3.399 1.00 55.11 O ATOM 966 CB ARG A 63 -10.537 6.208 1.124 1.00 24.22 C ATOM 967 CG ARG A 63 -10.388 6.100 -0.385 1.00 34.14 C ATOM 968 CD ARG A 63 -9.955 4.704 -0.803 1.00 62.33 C ATOM 969 NE ARG A 63 -10.139 4.479 -2.235 1.00 14.44 N ATOM 970 CZ ARG A 63 -9.898 3.319 -2.834 1.00 21.22 C ATOM 971 NH1 ARG A 63 -9.465 2.283 -2.129 1.00 22.40 N ATOM 972 NH2 ARG A 63 -10.090 3.193 -4.141 1.00 31.34 N ATOM 0 H ARG A 63 -8.269 7.173 1.233 1.00 14.44 H new ATOM 0 HA ARG A 63 -10.838 8.335 1.077 1.00 3.41 H new ATOM 0 HB2 ARG A 63 -9.849 5.509 1.599 1.00 24.22 H new ATOM 0 HB3 ARG A 63 -11.545 5.903 1.404 1.00 24.22 H new ATOM 0 HG2 ARG A 63 -11.335 6.347 -0.864 1.00 34.14 H new ATOM 0 HG3 ARG A 63 -9.656 6.829 -0.733 1.00 34.14 H new ATOM 0 HD2 ARG A 63 -8.906 4.557 -0.545 1.00 62.33 H new ATOM 0 HD3 ARG A 63 -10.527 3.964 -0.243 1.00 62.33 H new ATOM 0 HE ARG A 63 -10.471 5.256 -2.806 1.00 14.44 H new ATOM 0 HH11 ARG A 63 -9.316 2.376 -1.124 1.00 22.40 H new ATOM 0 HH12 ARG A 63 -9.281 1.393 -2.591 1.00 22.40 H new ATOM 0 HH21 ARG A 63 -10.423 3.988 -4.687 1.00 31.34 H new ATOM 0 HH22 ARG A 63 -9.904 2.301 -4.600 1.00 31.34 H new ATOM 986 N LEU A 64 -9.873 7.284 4.036 1.00 2.24 N ATOM 987 CA LEU A 64 -10.193 7.318 5.459 1.00 24.04 C ATOM 988 C LEU A 64 -10.361 8.754 5.946 1.00 74.15 C ATOM 989 O LEU A 64 -11.207 9.038 6.796 1.00 64.45 O ATOM 990 CB LEU A 64 -9.096 6.620 6.266 1.00 42.15 C ATOM 991 CG LEU A 64 -8.851 5.148 5.932 1.00 51.11 C ATOM 992 CD1 LEU A 64 -7.518 4.686 6.500 1.00 51.50 C ATOM 993 CD2 LEU A 64 -9.987 4.285 6.463 1.00 44.15 C ATOM 0 H LEU A 64 -8.947 6.915 3.821 1.00 2.24 H new ATOM 0 HA LEU A 64 -11.136 6.791 5.606 1.00 24.04 H new ATOM 0 HB2 LEU A 64 -8.163 7.165 6.121 1.00 42.15 H new ATOM 0 HB3 LEU A 64 -9.347 6.695 7.324 1.00 42.15 H new ATOM 0 HG LEU A 64 -8.816 5.042 4.848 1.00 51.11 H new ATOM 0 HD11 LEU A 64 -7.361 3.636 6.252 1.00 51.50 H new ATOM 0 HD12 LEU A 64 -6.713 5.284 6.072 1.00 51.50 H new ATOM 0 HD13 LEU A 64 -7.523 4.806 7.583 1.00 51.50 H new ATOM 0 HD21 LEU A 64 -9.796 3.241 6.216 1.00 44.15 H new ATOM 0 HD22 LEU A 64 -10.053 4.396 7.545 1.00 44.15 H new ATOM 0 HD23 LEU A 64 -10.926 4.600 6.008 1.00 44.15 H new ATOM 1005 N LEU A 65 -9.554 9.656 5.400 1.00 41.43 N ATOM 1006 CA LEU A 65 -9.615 11.065 5.776 1.00 70.41 C ATOM 1007 C LEU A 65 -11.042 11.594 5.674 1.00 42.13 C ATOM 1008 O LEU A 65 -11.649 11.973 6.676 1.00 1.10 O ATOM 1009 CB LEU A 65 -8.687 11.892 4.885 1.00 61.35 C ATOM 1010 CG LEU A 65 -7.409 12.410 5.545 1.00 42.24 C ATOM 1011 CD1 LEU A 65 -6.435 12.922 4.494 1.00 14.12 C ATOM 1012 CD2 LEU A 65 -7.734 13.504 6.551 1.00 53.20 C ATOM 0 H LEU A 65 -8.849 9.438 4.695 1.00 41.43 H new ATOM 0 HA LEU A 65 -9.287 11.154 6.812 1.00 70.41 H new ATOM 0 HB2 LEU A 65 -8.407 11.285 4.024 1.00 61.35 H new ATOM 0 HB3 LEU A 65 -9.247 12.746 4.505 1.00 61.35 H new ATOM 0 HG LEU A 65 -6.937 11.584 6.077 1.00 42.24 H new ATOM 0 HD11 LEU A 65 -5.531 13.287 4.982 1.00 14.12 H new ATOM 0 HD12 LEU A 65 -6.177 12.112 3.812 1.00 14.12 H new ATOM 0 HD13 LEU A 65 -6.898 13.735 3.934 1.00 14.12 H new ATOM 0 HD21 LEU A 65 -6.812 13.861 7.011 1.00 53.20 H new ATOM 0 HD22 LEU A 65 -8.229 14.331 6.042 1.00 53.20 H new ATOM 0 HD23 LEU A 65 -8.393 13.105 7.322 1.00 53.20 H new ATOM 1024 N THR A 66 -11.574 11.616 4.455 1.00 22.15 N ATOM 1025 CA THR A 66 -12.929 12.097 4.222 1.00 54.51 C ATOM 1026 C THR A 66 -13.963 11.087 4.706 1.00 61.11 C ATOM 1027 O THR A 66 -15.091 11.448 5.037 1.00 12.42 O ATOM 1028 CB THR A 66 -13.173 12.389 2.729 1.00 23.31 C ATOM 1029 OG1 THR A 66 -14.433 13.047 2.557 1.00 21.43 O ATOM 1030 CG2 THR A 66 -13.151 11.103 1.916 1.00 32.14 C ATOM 0 H THR A 66 -11.086 11.306 3.615 1.00 22.15 H new ATOM 0 HA THR A 66 -13.037 13.022 4.788 1.00 54.51 H new ATOM 0 HB THR A 66 -12.374 13.039 2.373 1.00 23.31 H new ATOM 0 HG1 THR A 66 -14.992 12.894 3.347 1.00 21.43 H new ATOM 0 HG21 THR A 66 -13.325 11.334 0.865 1.00 32.14 H new ATOM 0 HG22 THR A 66 -12.180 10.620 2.025 1.00 32.14 H new ATOM 0 HG23 THR A 66 -13.932 10.432 2.275 1.00 32.14 H new ATOM 1038 N GLY A 67 -13.570 9.817 4.745 1.00 4.31 N ATOM 1039 CA GLY A 67 -14.474 8.774 5.191 1.00 73.22 C ATOM 1040 C GLY A 67 -15.249 8.150 4.047 1.00 45.04 C ATOM 1041 O GLY A 67 -16.380 7.698 4.227 1.00 44.41 O ATOM 0 H GLY A 67 -12.641 9.493 4.475 1.00 4.31 H new ATOM 0 HA2 GLY A 67 -13.905 8.000 5.705 1.00 73.22 H new ATOM 0 HA3 GLY A 67 -15.174 9.190 5.916 1.00 73.22 H new ATOM 1045 N ASP A 68 -14.640 8.126 2.866 1.00 3.02 N ATOM 1046 CA ASP A 68 -15.279 7.554 1.687 1.00 34.54 C ATOM 1047 C ASP A 68 -14.305 6.668 0.917 1.00 75.33 C ATOM 1048 O ASP A 68 -13.309 7.147 0.377 1.00 44.41 O ATOM 1049 CB ASP A 68 -15.808 8.664 0.778 1.00 63.23 C ATOM 1050 CG ASP A 68 -16.999 8.218 -0.048 1.00 4.21 C ATOM 1051 OD1 ASP A 68 -17.507 7.104 0.196 1.00 24.52 O ATOM 1052 OD2 ASP A 68 -17.423 8.985 -0.938 1.00 33.55 O ATOM 0 H ASP A 68 -13.704 8.496 2.700 1.00 3.02 H new ATOM 0 HA ASP A 68 -16.115 6.939 2.020 1.00 34.54 H new ATOM 0 HB2 ASP A 68 -16.092 9.523 1.386 1.00 63.23 H new ATOM 0 HB3 ASP A 68 -15.011 8.995 0.112 1.00 63.23 H new ATOM 1057 N SER A 69 -14.601 5.373 0.871 1.00 63.41 N ATOM 1058 CA SER A 69 -13.749 4.419 0.171 1.00 64.44 C ATOM 1059 C SER A 69 -13.816 4.635 -1.338 1.00 52.41 C ATOM 1060 O SER A 69 -12.880 4.308 -2.068 1.00 24.25 O ATOM 1061 CB SER A 69 -14.164 2.986 0.511 1.00 51.14 C ATOM 1062 OG SER A 69 -14.165 2.774 1.912 1.00 52.32 O ATOM 0 H SER A 69 -15.424 4.961 1.310 1.00 63.41 H new ATOM 0 HA SER A 69 -12.722 4.580 0.498 1.00 64.44 H new ATOM 0 HB2 SER A 69 -15.157 2.787 0.109 1.00 51.14 H new ATOM 0 HB3 SER A 69 -13.481 2.283 0.034 1.00 51.14 H new ATOM 0 HG SER A 69 -14.435 1.852 2.103 1.00 52.32 H new ATOM 1068 N THR A 70 -14.932 5.190 -1.801 1.00 13.34 N ATOM 1069 CA THR A 70 -15.125 5.450 -3.222 1.00 4.34 C ATOM 1070 C THR A 70 -14.202 6.563 -3.707 1.00 33.13 C ATOM 1071 O THR A 70 -13.984 6.723 -4.908 1.00 60.34 O ATOM 1072 CB THR A 70 -16.583 5.838 -3.530 1.00 33.44 C ATOM 1073 OG1 THR A 70 -16.972 6.959 -2.729 1.00 1.32 O ATOM 1074 CG2 THR A 70 -17.521 4.669 -3.264 1.00 1.41 C ATOM 0 H THR A 70 -15.717 5.468 -1.211 1.00 13.34 H new ATOM 0 HA THR A 70 -14.884 4.526 -3.748 1.00 4.34 H new ATOM 0 HB THR A 70 -16.650 6.105 -4.585 1.00 33.44 H new ATOM 0 HG1 THR A 70 -17.817 6.759 -2.275 1.00 1.32 H new ATOM 0 HG21 THR A 70 -18.545 4.966 -3.488 1.00 1.41 H new ATOM 0 HG22 THR A 70 -17.241 3.826 -3.896 1.00 1.41 H new ATOM 0 HG23 THR A 70 -17.449 4.376 -2.217 1.00 1.41 H new ATOM 1082 N LEU A 71 -13.662 7.330 -2.766 1.00 34.42 N ATOM 1083 CA LEU A 71 -12.762 8.428 -3.098 1.00 4.14 C ATOM 1084 C LEU A 71 -11.605 7.941 -3.965 1.00 10.04 C ATOM 1085 O LEU A 71 -10.746 7.189 -3.505 1.00 13.44 O ATOM 1086 CB LEU A 71 -12.220 9.073 -1.821 1.00 12.24 C ATOM 1087 CG LEU A 71 -11.283 10.265 -2.016 1.00 43.22 C ATOM 1088 CD1 LEU A 71 -11.477 11.285 -0.905 1.00 24.13 C ATOM 1089 CD2 LEU A 71 -9.834 9.801 -2.070 1.00 54.44 C ATOM 0 H LEU A 71 -13.832 7.211 -1.767 1.00 34.42 H new ATOM 0 HA LEU A 71 -13.327 9.170 -3.662 1.00 4.14 H new ATOM 0 HB2 LEU A 71 -13.066 9.397 -1.214 1.00 12.24 H new ATOM 0 HB3 LEU A 71 -11.691 8.311 -1.249 1.00 12.24 H new ATOM 0 HG LEU A 71 -11.527 10.742 -2.965 1.00 43.22 H new ATOM 0 HD11 LEU A 71 -10.801 12.126 -1.061 1.00 24.13 H new ATOM 0 HD12 LEU A 71 -12.507 11.641 -0.914 1.00 24.13 H new ATOM 0 HD13 LEU A 71 -11.262 10.820 0.057 1.00 24.13 H new ATOM 0 HD21 LEU A 71 -9.181 10.663 -2.209 1.00 54.44 H new ATOM 0 HD22 LEU A 71 -9.578 9.299 -1.137 1.00 54.44 H new ATOM 0 HD23 LEU A 71 -9.704 9.109 -2.902 1.00 54.44 H new ATOM 1101 N GLU A 72 -11.589 8.377 -5.221 1.00 33.45 N ATOM 1102 CA GLU A 72 -10.537 7.985 -6.151 1.00 2.32 C ATOM 1103 C GLU A 72 -9.915 9.210 -6.815 1.00 41.32 C ATOM 1104 O GLU A 72 -10.522 10.280 -6.860 1.00 55.43 O ATOM 1105 CB GLU A 72 -11.094 7.041 -7.218 1.00 21.42 C ATOM 1106 CG GLU A 72 -11.840 5.847 -6.645 1.00 0.53 C ATOM 1107 CD GLU A 72 -11.361 4.529 -7.220 1.00 31.30 C ATOM 1108 OE1 GLU A 72 -10.138 4.378 -7.423 1.00 13.34 O ATOM 1109 OE2 GLU A 72 -12.210 3.647 -7.467 1.00 73.22 O ATOM 0 H GLU A 72 -12.292 9.001 -5.617 1.00 33.45 H new ATOM 0 HA GLU A 72 -9.763 7.466 -5.586 1.00 2.32 H new ATOM 0 HB2 GLU A 72 -11.765 7.599 -7.870 1.00 21.42 H new ATOM 0 HB3 GLU A 72 -10.273 6.682 -7.838 1.00 21.42 H new ATOM 0 HG2 GLU A 72 -11.717 5.832 -5.562 1.00 0.53 H new ATOM 0 HG3 GLU A 72 -12.906 5.960 -6.844 1.00 0.53 H new ATOM 1116 N ILE A 73 -8.701 9.045 -7.329 1.00 24.14 N ATOM 1117 CA ILE A 73 -7.997 10.136 -7.991 1.00 4.14 C ATOM 1118 C ILE A 73 -7.711 9.801 -9.451 1.00 35.34 C ATOM 1119 O ILE A 73 -7.237 8.710 -9.765 1.00 61.31 O ATOM 1120 CB ILE A 73 -6.669 10.462 -7.282 1.00 23.44 C ATOM 1121 CG1 ILE A 73 -6.925 10.841 -5.822 1.00 4.24 C ATOM 1122 CG2 ILE A 73 -5.942 11.584 -8.007 1.00 13.40 C ATOM 1123 CD1 ILE A 73 -5.664 11.168 -5.052 1.00 63.42 C ATOM 0 H ILE A 73 -8.184 8.166 -7.300 1.00 24.14 H new ATOM 0 HA ILE A 73 -8.650 11.008 -7.942 1.00 4.14 H new ATOM 0 HB ILE A 73 -6.037 9.575 -7.302 1.00 23.44 H new ATOM 0 HG12 ILE A 73 -7.594 11.701 -5.790 1.00 4.24 H new ATOM 0 HG13 ILE A 73 -7.440 10.018 -5.327 1.00 4.24 H new ATOM 0 HG21 ILE A 73 -5.006 11.802 -7.493 1.00 13.40 H new ATOM 0 HG22 ILE A 73 -5.731 11.278 -9.032 1.00 13.40 H new ATOM 0 HG23 ILE A 73 -6.567 12.477 -8.016 1.00 13.40 H new ATOM 0 HD11 ILE A 73 -5.922 11.428 -4.025 1.00 63.42 H new ATOM 0 HD12 ILE A 73 -5.003 10.302 -5.052 1.00 63.42 H new ATOM 0 HD13 ILE A 73 -5.158 12.011 -5.523 1.00 63.42 H new ATOM 1135 N GLN A 74 -8.003 10.747 -10.337 1.00 42.02 N ATOM 1136 CA GLN A 74 -7.776 10.552 -11.764 1.00 74.24 C ATOM 1137 C GLN A 74 -6.955 11.697 -12.347 1.00 24.02 C ATOM 1138 O GLN A 74 -6.962 12.819 -11.840 1.00 41.01 O ATOM 1139 CB GLN A 74 -9.111 10.439 -12.503 1.00 70.22 C ATOM 1140 CG GLN A 74 -10.119 9.541 -11.804 1.00 53.31 C ATOM 1141 CD GLN A 74 -11.070 8.866 -12.773 1.00 11.42 C ATOM 1142 OE1 GLN A 74 -11.969 9.503 -13.324 1.00 21.13 O ATOM 1143 NE2 GLN A 74 -10.877 7.570 -12.986 1.00 43.14 N ATOM 0 H GLN A 74 -8.397 11.655 -10.092 1.00 42.02 H new ATOM 0 HA GLN A 74 -7.216 9.626 -11.894 1.00 74.24 H new ATOM 0 HB2 GLN A 74 -9.540 11.435 -12.615 1.00 70.22 H new ATOM 0 HB3 GLN A 74 -8.930 10.055 -13.507 1.00 70.22 H new ATOM 0 HG2 GLN A 74 -9.587 8.780 -11.233 1.00 53.31 H new ATOM 0 HG3 GLN A 74 -10.693 10.132 -11.090 1.00 53.31 H new ATOM 0 HE21 GLN A 74 -10.120 7.082 -12.508 1.00 43.14 H new ATOM 0 HE22 GLN A 74 -11.486 7.062 -13.628 1.00 43.14 H new ATOM 1152 N PRO A 75 -6.228 11.410 -13.437 1.00 61.30 N ATOM 1153 CA PRO A 75 -5.387 12.403 -14.112 1.00 72.32 C ATOM 1154 C PRO A 75 -6.210 13.472 -14.822 1.00 50.24 C ATOM 1155 O PRO A 75 -6.815 13.214 -15.863 1.00 1.25 O ATOM 1156 CB PRO A 75 -4.601 11.570 -15.128 1.00 54.23 C ATOM 1157 CG PRO A 75 -5.460 10.380 -15.388 1.00 4.42 C ATOM 1158 CD PRO A 75 -6.172 10.093 -14.095 1.00 4.42 C ATOM 0 HA PRO A 75 -4.757 12.949 -13.410 1.00 72.32 H new ATOM 0 HB2 PRO A 75 -4.417 12.133 -16.043 1.00 54.23 H new ATOM 0 HB3 PRO A 75 -3.628 11.277 -14.732 1.00 54.23 H new ATOM 0 HG2 PRO A 75 -6.171 10.580 -16.189 1.00 4.42 H new ATOM 0 HG3 PRO A 75 -4.859 9.526 -15.701 1.00 4.42 H new ATOM 0 HD2 PRO A 75 -7.169 9.687 -14.267 1.00 4.42 H new ATOM 0 HD3 PRO A 75 -5.631 9.365 -13.491 1.00 4.42 H new ATOM 1166 N MET A 76 -6.228 14.673 -14.254 1.00 4.41 N ATOM 1167 CA MET A 76 -6.975 15.782 -14.835 1.00 14.53 C ATOM 1168 C MET A 76 -6.287 16.303 -16.092 1.00 44.21 C ATOM 1169 O MET A 76 -5.167 16.812 -16.032 1.00 11.52 O ATOM 1170 CB MET A 76 -7.125 16.914 -13.816 1.00 35.44 C ATOM 1171 CG MET A 76 -7.776 18.163 -14.386 1.00 50.32 C ATOM 1172 SD MET A 76 -9.430 17.852 -15.033 1.00 31.12 S ATOM 1173 CE MET A 76 -9.731 19.368 -15.938 1.00 64.23 C ATOM 0 H MET A 76 -5.734 14.903 -13.392 1.00 4.41 H new ATOM 0 HA MET A 76 -7.964 15.416 -15.109 1.00 14.53 H new ATOM 0 HB2 MET A 76 -7.718 16.557 -12.974 1.00 35.44 H new ATOM 0 HB3 MET A 76 -6.141 17.173 -13.426 1.00 35.44 H new ATOM 0 HG2 MET A 76 -7.832 18.926 -13.609 1.00 50.32 H new ATOM 0 HG3 MET A 76 -7.148 18.564 -15.182 1.00 50.32 H new ATOM 0 HE1 MET A 76 -10.659 19.822 -15.589 1.00 64.23 H new ATOM 0 HE2 MET A 76 -8.905 20.060 -15.774 1.00 64.23 H new ATOM 0 HE3 MET A 76 -9.813 19.146 -17.002 1.00 64.23 H new ATOM 1183 N ILE A 77 -6.962 16.172 -17.229 1.00 20.02 N ATOM 1184 CA ILE A 77 -6.414 16.630 -18.499 1.00 53.35 C ATOM 1185 C ILE A 77 -6.796 18.081 -18.771 1.00 55.34 C ATOM 1186 O ILE A 77 -7.962 18.461 -18.652 1.00 64.42 O ATOM 1187 CB ILE A 77 -6.900 15.755 -19.670 1.00 41.32 C ATOM 1188 CG1 ILE A 77 -6.708 14.273 -19.341 1.00 52.35 C ATOM 1189 CG2 ILE A 77 -6.158 16.120 -20.947 1.00 54.44 C ATOM 1190 CD1 ILE A 77 -7.195 13.345 -20.432 1.00 22.31 C ATOM 0 H ILE A 77 -7.889 15.752 -17.296 1.00 20.02 H new ATOM 0 HA ILE A 77 -5.330 16.550 -18.422 1.00 53.35 H new ATOM 0 HB ILE A 77 -7.963 15.939 -19.825 1.00 41.32 H new ATOM 0 HG12 ILE A 77 -5.650 14.083 -19.159 1.00 52.35 H new ATOM 0 HG13 ILE A 77 -7.237 14.043 -18.416 1.00 52.35 H new ATOM 0 HG21 ILE A 77 -6.512 15.493 -21.765 1.00 54.44 H new ATOM 0 HG22 ILE A 77 -6.340 17.168 -21.187 1.00 54.44 H new ATOM 0 HG23 ILE A 77 -5.089 15.961 -20.805 1.00 54.44 H new ATOM 0 HD11 ILE A 77 -7.028 12.311 -20.131 1.00 22.31 H new ATOM 0 HD12 ILE A 77 -8.260 13.507 -20.599 1.00 22.31 H new ATOM 0 HD13 ILE A 77 -6.649 13.548 -21.353 1.00 22.31 H new ATOM 1202 N VAL A 78 -5.807 18.889 -19.139 1.00 50.15 N ATOM 1203 CA VAL A 78 -6.039 20.298 -19.432 1.00 14.52 C ATOM 1204 C VAL A 78 -6.812 20.469 -20.735 1.00 13.33 C ATOM 1205 O VAL A 78 -6.500 19.857 -21.756 1.00 23.31 O ATOM 1206 CB VAL A 78 -4.714 21.078 -19.528 1.00 32.31 C ATOM 1207 CG1 VAL A 78 -3.817 20.476 -20.599 1.00 32.12 C ATOM 1208 CG2 VAL A 78 -4.981 22.549 -19.809 1.00 22.32 C ATOM 0 H VAL A 78 -4.837 18.592 -19.241 1.00 50.15 H new ATOM 0 HA VAL A 78 -6.629 20.699 -18.608 1.00 14.52 H new ATOM 0 HB VAL A 78 -4.198 21.003 -18.571 1.00 32.31 H new ATOM 0 HG11 VAL A 78 -2.886 21.040 -20.653 1.00 32.12 H new ATOM 0 HG12 VAL A 78 -3.599 19.438 -20.349 1.00 32.12 H new ATOM 0 HG13 VAL A 78 -4.323 20.519 -21.564 1.00 32.12 H new ATOM 0 HG21 VAL A 78 -4.034 23.085 -19.874 1.00 22.32 H new ATOM 0 HG22 VAL A 78 -5.519 22.648 -20.752 1.00 22.32 H new ATOM 0 HG23 VAL A 78 -5.582 22.970 -19.003 1.00 22.32 H new ATOM 1218 N PRO A 79 -7.847 21.322 -20.701 1.00 42.55 N ATOM 1219 CA PRO A 79 -8.686 21.595 -21.872 1.00 41.21 C ATOM 1220 C PRO A 79 -7.944 22.383 -22.946 1.00 51.13 C ATOM 1221 O PRO A 79 -7.512 23.513 -22.716 1.00 0.12 O ATOM 1222 CB PRO A 79 -9.836 22.426 -21.298 1.00 73.01 C ATOM 1223 CG PRO A 79 -9.269 23.068 -20.080 1.00 23.05 C ATOM 1224 CD PRO A 79 -8.277 22.087 -19.519 1.00 5.14 C ATOM 0 HA PRO A 79 -9.009 20.678 -22.365 1.00 41.21 H new ATOM 0 HB2 PRO A 79 -10.181 23.172 -22.014 1.00 73.01 H new ATOM 0 HB3 PRO A 79 -10.693 21.799 -21.052 1.00 73.01 H new ATOM 0 HG2 PRO A 79 -8.786 24.014 -20.326 1.00 23.05 H new ATOM 0 HG3 PRO A 79 -10.052 23.289 -19.355 1.00 23.05 H new ATOM 0 HD2 PRO A 79 -7.438 22.593 -19.041 1.00 5.14 H new ATOM 0 HD3 PRO A 79 -8.731 21.442 -18.767 1.00 5.14 H new ATOM 1232 N THR A 80 -7.799 21.780 -24.122 1.00 54.34 N ATOM 1233 CA THR A 80 -7.109 22.425 -25.232 1.00 52.31 C ATOM 1234 C THR A 80 -8.100 23.063 -26.200 1.00 4.05 C ATOM 1235 O THR A 80 -8.273 22.596 -27.326 1.00 31.44 O ATOM 1236 CB THR A 80 -6.228 21.425 -26.003 1.00 64.32 C ATOM 1237 OG1 THR A 80 -5.595 20.523 -25.088 1.00 75.54 O ATOM 1238 CG2 THR A 80 -5.169 22.152 -26.819 1.00 14.35 C ATOM 0 H THR A 80 -8.151 20.845 -24.330 1.00 54.34 H new ATOM 0 HA THR A 80 -6.475 23.200 -24.802 1.00 52.31 H new ATOM 0 HB THR A 80 -6.867 20.863 -26.684 1.00 64.32 H new ATOM 0 HG1 THR A 80 -5.038 19.889 -25.586 1.00 75.54 H new ATOM 0 HG21 THR A 80 -4.559 21.424 -27.355 1.00 14.35 H new ATOM 0 HG22 THR A 80 -5.654 22.816 -27.535 1.00 14.35 H new ATOM 0 HG23 THR A 80 -4.535 22.737 -26.153 1.00 14.35 H new ATOM 1246 N THR A 81 -8.748 24.135 -25.754 1.00 72.14 N ATOM 1247 CA THR A 81 -9.722 24.837 -26.581 1.00 30.23 C ATOM 1248 C THR A 81 -9.092 26.042 -27.269 1.00 0.42 C ATOM 1249 O THR A 81 -9.385 27.187 -26.926 1.00 13.13 O ATOM 1250 CB THR A 81 -10.929 25.308 -25.748 1.00 54.13 C ATOM 1251 OG1 THR A 81 -10.478 25.949 -24.550 1.00 31.21 O ATOM 1252 CG2 THR A 81 -11.833 24.137 -25.394 1.00 23.52 C ATOM 0 H THR A 81 -8.616 24.536 -24.825 1.00 72.14 H new ATOM 0 HA THR A 81 -10.065 24.130 -27.336 1.00 30.23 H new ATOM 0 HB THR A 81 -11.500 26.018 -26.346 1.00 54.13 H new ATOM 0 HG1 THR A 81 -9.866 26.679 -24.780 1.00 31.21 H new ATOM 0 HG21 THR A 81 -12.678 24.495 -24.806 1.00 23.52 H new ATOM 0 HG22 THR A 81 -12.199 23.670 -26.309 1.00 23.52 H new ATOM 0 HG23 THR A 81 -11.271 23.406 -24.814 1.00 23.52 H new ATOM 1260 N GLU A 82 -8.226 25.777 -28.242 1.00 4.05 N ATOM 1261 CA GLU A 82 -7.554 26.842 -28.977 1.00 54.13 C ATOM 1262 C GLU A 82 -8.568 27.735 -29.687 1.00 41.31 C ATOM 1263 O GLU A 82 -9.707 27.334 -29.921 1.00 32.53 O ATOM 1264 CB GLU A 82 -6.577 26.251 -29.996 1.00 14.20 C ATOM 1265 CG GLU A 82 -7.251 25.414 -31.070 1.00 63.23 C ATOM 1266 CD GLU A 82 -6.259 24.623 -31.901 1.00 24.24 C ATOM 1267 OE1 GLU A 82 -5.449 23.879 -31.307 1.00 51.53 O ATOM 1268 OE2 GLU A 82 -6.291 24.747 -33.143 1.00 13.04 O ATOM 0 H GLU A 82 -7.973 24.835 -28.539 1.00 4.05 H new ATOM 0 HA GLU A 82 -6.999 27.448 -28.262 1.00 54.13 H new ATOM 0 HB2 GLU A 82 -6.026 27.062 -30.472 1.00 14.20 H new ATOM 0 HB3 GLU A 82 -5.847 25.635 -29.472 1.00 14.20 H new ATOM 0 HG2 GLU A 82 -7.956 24.727 -30.601 1.00 63.23 H new ATOM 0 HG3 GLU A 82 -7.829 26.066 -31.725 1.00 63.23 H new TER 1275 GLU A 82