USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 985 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 76 GLN : amide:sc= -0.399 K(o=-0.0053,f=-0.93) USER MOD Set 1.2: A 99 GLN : amide:sc= 0.394 K(o=-0.0053,f=-0.93) USER MOD Set 2.1: A 18 SER OG : rot -152:sc= 0.964 USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -0.0434 F(o=-0.93,f=-0.19) USER MOD Set 2.3: A 70 GLN : amide:sc= -0.0354 K(o=-0.19,f=-1.2) USER MOD Set 2.4: A 71 THR OG1 : rot -23:sc= -0.759! USER MOD Set 2.5: A 74 ASN : amide:sc= -0.312 K(o=-0.19,f=-1.4) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.359 (180deg=-1.55) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0483) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -149:sc= 0.0727 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.02 K(o=-1,f=-4.3!) USER MOD Single : A 20 SER OG : rot 78:sc= 0.688 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.24) USER MOD Single : A 36 GLN : amide:sc=-0.00131 X(o=-0.0013,f=-0.31) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 130:sc= -0.623 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 43 SER OG : rot 65:sc= 1.7 USER MOD Single : A 46 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 48 MET CE :methyl -124:sc= -0.891 (180deg=-1.92!) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.16 (180deg=-2.26!) USER MOD Single : A 51 GLN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 52 THR OG1 : rot -63:sc= -0.115 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.282 K(o=0.28,f=-0.75) USER MOD Single : A 63 MET CE :methyl 178:sc= -0.904 (180deg=-0.933) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= 0.56 (180deg=0.184) USER MOD Single : A 79 LYS NZ :NH3+ -104:sc= 1.32 (180deg=-0.392) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.098) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 91 SER OG : rot -1:sc= 0.226 USER MOD Single : A 95 GLN : amide:sc= -0.482 K(o=-0.48,f=-2.1!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 112:sc= 0.643 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -149:sc= 1.18 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.546 F(o=-1.2,f=-0.55) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -167:sc= -0.19 (180deg=-0.637) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.710 2.556 21.340 1.00 0.00 N ATOM 2 CA MET A 1 2.820 2.127 19.923 1.00 52.33 C ATOM 3 C MET A 1 1.634 2.630 19.075 1.00 60.23 C ATOM 4 O MET A 1 1.338 2.044 18.034 1.00 14.11 O ATOM 5 CB MET A 1 2.941 0.576 19.828 1.00 54.31 C ATOM 6 CG MET A 1 1.703 -0.210 20.303 1.00 2.41 C ATOM 7 SD MET A 1 1.832 -1.987 19.995 1.00 71.42 S ATOM 8 CE MET A 1 1.984 -2.060 18.204 1.00 5.55 C ATOM 0 H1 MET A 1 3.459 2.101 21.900 1.00 0.00 H new ATOM 0 H2 MET A 1 2.813 3.589 21.399 1.00 0.00 H new ATOM 0 H3 MET A 1 1.781 2.278 21.716 1.00 0.00 H new ATOM 0 HA MET A 1 3.726 2.577 19.516 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.147 0.307 18.792 1.00 54.31 H new ATOM 0 HB3 MET A 1 3.801 0.258 20.417 1.00 54.31 H new ATOM 0 HG2 MET A 1 1.560 -0.041 21.370 1.00 2.41 H new ATOM 0 HG3 MET A 1 0.818 0.177 19.798 1.00 2.41 H new ATOM 0 HE1 MET A 1 1.600 -3.015 17.845 1.00 5.55 H new ATOM 0 HE2 MET A 1 1.411 -1.248 17.757 1.00 5.55 H new ATOM 0 HE3 MET A 1 3.033 -1.962 17.924 1.00 5.55 H new ATOM 20 N THR A 2 0.998 3.747 19.487 1.00 72.44 N ATOM 21 CA THR A 2 -0.205 4.285 18.810 1.00 20.21 C ATOM 22 C THR A 2 0.103 4.702 17.349 1.00 74.15 C ATOM 23 O THR A 2 -0.690 4.419 16.443 1.00 2.04 O ATOM 24 CB THR A 2 -0.802 5.485 19.627 1.00 52.21 C ATOM 25 OG1 THR A 2 -1.001 5.077 20.996 1.00 24.32 O ATOM 26 CG2 THR A 2 -2.145 5.997 19.053 1.00 33.25 C ATOM 0 H THR A 2 1.299 4.298 20.291 1.00 72.44 H new ATOM 0 HA THR A 2 -0.951 3.491 18.769 1.00 20.21 H new ATOM 0 HB THR A 2 -0.087 6.305 19.561 1.00 52.21 H new ATOM 0 HG1 THR A 2 -1.372 5.825 21.510 1.00 24.32 H new ATOM 0 HG21 THR A 2 -2.508 6.826 19.660 1.00 33.25 H new ATOM 0 HG22 THR A 2 -1.997 6.336 18.028 1.00 33.25 H new ATOM 0 HG23 THR A 2 -2.878 5.190 19.066 1.00 33.25 H new ATOM 34 N SER A 3 1.288 5.321 17.135 1.00 72.50 N ATOM 35 CA SER A 3 1.761 5.708 15.791 1.00 50.34 C ATOM 36 C SER A 3 2.023 4.454 14.929 1.00 70.32 C ATOM 37 O SER A 3 1.777 4.469 13.722 1.00 72.44 O ATOM 38 CB SER A 3 3.048 6.554 15.898 1.00 60.25 C ATOM 39 OG SER A 3 2.889 7.618 16.818 1.00 11.33 O ATOM 0 H SER A 3 1.936 5.563 17.885 1.00 72.50 H new ATOM 0 HA SER A 3 0.985 6.306 15.312 1.00 50.34 H new ATOM 0 HB2 SER A 3 3.877 5.920 16.212 1.00 60.25 H new ATOM 0 HB3 SER A 3 3.306 6.954 14.917 1.00 60.25 H new ATOM 0 HG SER A 3 3.720 8.135 16.867 1.00 11.33 H new ATOM 45 N THR A 4 2.528 3.375 15.587 1.00 4.02 N ATOM 46 CA THR A 4 2.826 2.087 14.934 1.00 13.44 C ATOM 47 C THR A 4 1.543 1.400 14.444 1.00 63.23 C ATOM 48 O THR A 4 1.472 1.007 13.288 1.00 74.10 O ATOM 49 CB THR A 4 3.615 1.117 15.879 1.00 42.43 C ATOM 50 OG1 THR A 4 4.787 1.771 16.386 1.00 42.43 O ATOM 51 CG2 THR A 4 4.044 -0.172 15.151 1.00 32.12 C ATOM 0 H THR A 4 2.737 3.382 16.585 1.00 4.02 H new ATOM 0 HA THR A 4 3.457 2.315 14.075 1.00 13.44 H new ATOM 0 HB THR A 4 2.945 0.847 16.696 1.00 42.43 H new ATOM 0 HG1 THR A 4 5.494 1.108 16.532 1.00 42.43 H new ATOM 0 HG21 THR A 4 4.588 -0.816 15.842 1.00 32.12 H new ATOM 0 HG22 THR A 4 3.160 -0.695 14.786 1.00 32.12 H new ATOM 0 HG23 THR A 4 4.688 0.083 14.309 1.00 32.12 H new ATOM 59 N VAL A 5 0.531 1.287 15.334 1.00 11.21 N ATOM 60 CA VAL A 5 -0.774 0.667 15.010 1.00 41.43 C ATOM 61 C VAL A 5 -1.456 1.441 13.869 1.00 53.21 C ATOM 62 O VAL A 5 -2.037 0.841 12.958 1.00 73.34 O ATOM 63 CB VAL A 5 -1.733 0.623 16.264 1.00 72.23 C ATOM 64 CG1 VAL A 5 -3.097 -0.035 15.923 1.00 30.31 C ATOM 65 CG2 VAL A 5 -1.068 -0.096 17.460 1.00 22.31 C ATOM 0 H VAL A 5 0.596 1.622 16.295 1.00 11.21 H new ATOM 0 HA VAL A 5 -0.580 -0.359 14.699 1.00 41.43 H new ATOM 0 HB VAL A 5 -1.924 1.657 16.552 1.00 72.23 H new ATOM 0 HG11 VAL A 5 -3.728 -0.046 16.812 1.00 30.31 H new ATOM 0 HG12 VAL A 5 -3.589 0.536 15.136 1.00 30.31 H new ATOM 0 HG13 VAL A 5 -2.933 -1.057 15.582 1.00 30.31 H new ATOM 0 HG21 VAL A 5 -1.756 -0.108 18.306 1.00 22.31 H new ATOM 0 HG22 VAL A 5 -0.822 -1.120 17.178 1.00 22.31 H new ATOM 0 HG23 VAL A 5 -0.157 0.432 17.741 1.00 22.31 H new ATOM 75 N GLU A 6 -1.338 2.782 13.931 1.00 62.42 N ATOM 76 CA GLU A 6 -1.862 3.688 12.899 1.00 30.13 C ATOM 77 C GLU A 6 -1.139 3.443 11.552 1.00 31.53 C ATOM 78 O GLU A 6 -1.780 3.389 10.512 1.00 25.22 O ATOM 79 CB GLU A 6 -1.718 5.182 13.361 1.00 21.45 C ATOM 80 CG GLU A 6 -2.979 6.062 13.177 1.00 33.54 C ATOM 81 CD GLU A 6 -3.435 6.235 11.710 1.00 42.30 C ATOM 82 OE1 GLU A 6 -4.224 5.407 11.205 1.00 54.53 O ATOM 83 OE2 GLU A 6 -3.025 7.223 11.064 1.00 44.44 O ATOM 0 H GLU A 6 -0.875 3.265 14.701 1.00 62.42 H new ATOM 0 HA GLU A 6 -2.923 3.483 12.753 1.00 30.13 H new ATOM 0 HB2 GLU A 6 -1.440 5.193 14.415 1.00 21.45 H new ATOM 0 HB3 GLU A 6 -0.895 5.637 12.809 1.00 21.45 H new ATOM 0 HG2 GLU A 6 -3.798 5.625 13.749 1.00 33.54 H new ATOM 0 HG3 GLU A 6 -2.784 7.047 13.601 1.00 33.54 H new ATOM 90 N PHE A 7 0.197 3.243 11.615 1.00 61.21 N ATOM 91 CA PHE A 7 1.065 3.064 10.426 1.00 24.44 C ATOM 92 C PHE A 7 0.789 1.713 9.727 1.00 24.24 C ATOM 93 O PHE A 7 0.730 1.645 8.490 1.00 35.42 O ATOM 94 CB PHE A 7 2.554 3.186 10.852 1.00 32.43 C ATOM 95 CG PHE A 7 3.559 3.308 9.707 1.00 2.10 C ATOM 96 CD1 PHE A 7 3.574 4.443 8.886 1.00 62.42 C ATOM 97 CD2 PHE A 7 4.513 2.314 9.470 1.00 73.23 C ATOM 98 CE1 PHE A 7 4.500 4.576 7.868 1.00 21.12 C ATOM 99 CE2 PHE A 7 5.435 2.449 8.450 1.00 52.31 C ATOM 100 CZ PHE A 7 5.429 3.581 7.651 1.00 32.42 C ATOM 0 H PHE A 7 0.707 3.201 12.497 1.00 61.21 H new ATOM 0 HA PHE A 7 0.839 3.847 9.702 1.00 24.44 H new ATOM 0 HB2 PHE A 7 2.658 4.058 11.498 1.00 32.43 H new ATOM 0 HB3 PHE A 7 2.815 2.313 11.450 1.00 32.43 H new ATOM 0 HD1 PHE A 7 2.850 5.227 9.051 1.00 62.42 H new ATOM 0 HD2 PHE A 7 4.529 1.431 10.091 1.00 73.23 H new ATOM 0 HE1 PHE A 7 4.496 5.458 7.244 1.00 21.12 H new ATOM 0 HE2 PHE A 7 6.162 1.670 8.275 1.00 52.31 H new ATOM 0 HZ PHE A 7 6.154 3.684 6.857 1.00 32.42 H new ATOM 110 N ILE A 8 0.590 0.654 10.545 1.00 5.34 N ATOM 111 CA ILE A 8 0.166 -0.674 10.070 1.00 13.52 C ATOM 112 C ILE A 8 -1.204 -0.535 9.383 1.00 72.25 C ATOM 113 O ILE A 8 -1.405 -1.067 8.302 1.00 42.23 O ATOM 114 CB ILE A 8 0.061 -1.727 11.252 1.00 64.21 C ATOM 115 CG1 ILE A 8 1.425 -1.864 12.007 1.00 73.21 C ATOM 116 CG2 ILE A 8 -0.423 -3.114 10.734 1.00 0.10 C ATOM 117 CD1 ILE A 8 1.373 -2.702 13.279 1.00 1.51 C ATOM 0 H ILE A 8 0.721 0.701 11.555 1.00 5.34 H new ATOM 0 HA ILE A 8 0.917 -1.043 9.372 1.00 13.52 H new ATOM 0 HB ILE A 8 -0.682 -1.355 11.957 1.00 64.21 H new ATOM 0 HG12 ILE A 8 2.156 -2.304 11.329 1.00 73.21 H new ATOM 0 HG13 ILE A 8 1.785 -0.867 12.261 1.00 73.21 H new ATOM 0 HG21 ILE A 8 -0.484 -3.813 11.568 1.00 0.10 H new ATOM 0 HG22 ILE A 8 -1.406 -3.008 10.276 1.00 0.10 H new ATOM 0 HG23 ILE A 8 0.283 -3.493 9.995 1.00 0.10 H new ATOM 0 HD11 ILE A 8 2.364 -2.739 13.731 1.00 1.51 H new ATOM 0 HD12 ILE A 8 0.670 -2.254 13.981 1.00 1.51 H new ATOM 0 HD13 ILE A 8 1.047 -3.713 13.035 1.00 1.51 H new ATOM 129 N ASN A 9 -2.093 0.265 10.018 1.00 0.03 N ATOM 130 CA ASN A 9 -3.461 0.532 9.534 1.00 65.40 C ATOM 131 C ASN A 9 -3.446 1.328 8.216 1.00 2.34 C ATOM 132 O ASN A 9 -4.371 1.215 7.406 1.00 23.44 O ATOM 133 CB ASN A 9 -4.273 1.276 10.630 1.00 22.21 C ATOM 134 CG ASN A 9 -5.781 1.382 10.366 1.00 25.42 C ATOM 135 OD1 ASN A 9 -6.383 0.348 9.790 1.00 72.52 O flip ATOM 136 ND2 ASN A 9 -6.413 2.378 10.727 1.00 3.25 N flip ATOM 0 H ASN A 9 -1.874 0.747 10.890 1.00 0.03 H new ATOM 0 HA ASN A 9 -3.946 -0.422 9.326 1.00 65.40 H new ATOM 0 HB2 ASN A 9 -4.122 0.766 11.581 1.00 22.21 H new ATOM 0 HB3 ASN A 9 -3.868 2.282 10.740 1.00 22.21 H new ATOM 0 HD21 ASN A 9 -5.926 3.159 11.167 1.00 3.25 H new ATOM 0 HD22 ASN A 9 -7.422 2.421 10.585 1.00 3.25 H new ATOM 143 N ARG A 10 -2.380 2.122 8.016 1.00 31.11 N ATOM 144 CA ARG A 10 -2.142 2.863 6.763 1.00 15.35 C ATOM 145 C ARG A 10 -1.745 1.904 5.630 1.00 65.32 C ATOM 146 O ARG A 10 -2.151 2.086 4.478 1.00 40.41 O ATOM 147 CB ARG A 10 -1.038 3.927 6.971 1.00 15.24 C ATOM 148 CG ARG A 10 -1.423 5.067 7.932 1.00 42.43 C ATOM 149 CD ARG A 10 -0.247 6.004 8.265 1.00 51.05 C ATOM 150 NE ARG A 10 -0.531 6.792 9.479 1.00 74.23 N ATOM 151 CZ ARG A 10 0.293 6.949 10.525 1.00 14.20 C ATOM 152 NH1 ARG A 10 1.488 6.386 10.545 1.00 43.33 N ATOM 153 NH2 ARG A 10 -0.114 7.654 11.566 1.00 0.25 N ATOM 0 H ARG A 10 -1.657 2.269 8.720 1.00 31.11 H new ATOM 0 HA ARG A 10 -3.068 3.364 6.481 1.00 15.35 H new ATOM 0 HB2 ARG A 10 -0.143 3.434 7.352 1.00 15.24 H new ATOM 0 HB3 ARG A 10 -0.778 4.357 6.004 1.00 15.24 H new ATOM 0 HG2 ARG A 10 -2.230 5.651 7.488 1.00 42.43 H new ATOM 0 HG3 ARG A 10 -1.811 4.639 8.856 1.00 42.43 H new ATOM 0 HD2 ARG A 10 0.660 5.418 8.411 1.00 51.05 H new ATOM 0 HD3 ARG A 10 -0.062 6.675 7.426 1.00 51.05 H new ATOM 0 HE ARG A 10 -1.436 7.260 9.527 1.00 74.23 H new ATOM 0 HH11 ARG A 10 1.798 5.820 9.755 1.00 43.33 H new ATOM 0 HH12 ARG A 10 2.100 6.517 11.350 1.00 43.33 H new ATOM 0 HH21 ARG A 10 -1.045 8.071 11.567 1.00 0.25 H new ATOM 0 HH22 ARG A 10 0.503 7.781 12.368 1.00 0.25 H new ATOM 167 N TRP A 11 -0.932 0.892 5.967 1.00 71.54 N ATOM 168 CA TRP A 11 -0.576 -0.179 5.015 1.00 2.32 C ATOM 169 C TRP A 11 -1.737 -1.168 4.813 1.00 15.15 C ATOM 170 O TRP A 11 -1.809 -1.815 3.771 1.00 23.32 O ATOM 171 CB TRP A 11 0.710 -0.905 5.460 1.00 61.40 C ATOM 172 CG TRP A 11 1.937 -0.026 5.360 1.00 31.45 C ATOM 173 CD1 TRP A 11 2.687 0.468 6.384 1.00 21.22 C ATOM 174 CD2 TRP A 11 2.523 0.500 4.154 1.00 3.22 C ATOM 175 NE1 TRP A 11 3.719 1.217 5.892 1.00 51.33 N ATOM 176 CE2 TRP A 11 3.638 1.262 4.533 1.00 10.54 C ATOM 177 CE3 TRP A 11 2.230 0.377 2.789 1.00 30.43 C ATOM 178 CZ2 TRP A 11 4.465 1.899 3.611 1.00 35.05 C ATOM 179 CZ3 TRP A 11 3.037 1.026 1.871 1.00 52.51 C ATOM 180 CH2 TRP A 11 4.146 1.777 2.286 1.00 70.52 C ATOM 0 H TRP A 11 -0.508 0.790 6.889 1.00 71.54 H new ATOM 0 HA TRP A 11 -0.381 0.288 4.050 1.00 2.32 H new ATOM 0 HB2 TRP A 11 0.594 -1.245 6.489 1.00 61.40 H new ATOM 0 HB3 TRP A 11 0.853 -1.794 4.845 1.00 61.40 H new ATOM 0 HD1 TRP A 11 2.494 0.293 7.432 1.00 21.22 H new ATOM 0 HE1 TRP A 11 4.438 1.672 6.455 1.00 51.33 H new ATOM 0 HE3 TRP A 11 1.389 -0.214 2.459 1.00 30.43 H new ATOM 0 HZ2 TRP A 11 5.326 2.468 3.930 1.00 35.05 H new ATOM 0 HZ3 TRP A 11 2.809 0.953 0.818 1.00 52.51 H new ATOM 0 HH2 TRP A 11 4.760 2.268 1.546 1.00 70.52 H new ATOM 191 N GLN A 12 -2.645 -1.262 5.808 1.00 54.12 N ATOM 192 CA GLN A 12 -3.912 -2.000 5.669 1.00 51.13 C ATOM 193 C GLN A 12 -4.814 -1.250 4.676 1.00 65.52 C ATOM 194 O GLN A 12 -5.451 -1.860 3.835 1.00 24.11 O ATOM 195 CB GLN A 12 -4.634 -2.157 7.043 1.00 45.32 C ATOM 196 CG GLN A 12 -3.866 -3.000 8.082 1.00 11.53 C ATOM 197 CD GLN A 12 -4.587 -3.159 9.423 1.00 30.03 C ATOM 198 OE1 GLN A 12 -4.425 -2.352 10.332 1.00 10.41 O ATOM 199 NE2 GLN A 12 -5.388 -4.200 9.565 1.00 53.13 N ATOM 0 H GLN A 12 -2.519 -0.830 6.723 1.00 54.12 H new ATOM 0 HA GLN A 12 -3.698 -3.002 5.298 1.00 51.13 H new ATOM 0 HB2 GLN A 12 -4.812 -1.166 7.460 1.00 45.32 H new ATOM 0 HB3 GLN A 12 -5.610 -2.613 6.875 1.00 45.32 H new ATOM 0 HG2 GLN A 12 -3.680 -3.989 7.664 1.00 11.53 H new ATOM 0 HG3 GLN A 12 -2.894 -2.540 8.258 1.00 11.53 H new ATOM 0 HE21 GLN A 12 -5.509 -4.859 8.796 1.00 53.13 H new ATOM 0 HE22 GLN A 12 -5.886 -4.344 10.443 1.00 53.13 H new ATOM 208 N ARG A 13 -4.796 0.095 4.774 1.00 31.53 N ATOM 209 CA ARG A 13 -5.565 0.998 3.902 1.00 71.11 C ATOM 210 C ARG A 13 -5.153 0.811 2.425 1.00 41.21 C ATOM 211 O ARG A 13 -6.002 0.527 1.579 1.00 75.21 O ATOM 212 CB ARG A 13 -5.347 2.464 4.372 1.00 14.14 C ATOM 213 CG ARG A 13 -6.065 3.557 3.551 1.00 14.30 C ATOM 214 CD ARG A 13 -7.599 3.490 3.630 1.00 22.21 C ATOM 215 NE ARG A 13 -8.213 4.624 2.911 1.00 10.02 N ATOM 216 CZ ARG A 13 -9.491 5.022 3.013 1.00 63.21 C ATOM 217 NH1 ARG A 13 -10.352 4.383 3.802 1.00 51.45 N ATOM 218 NH2 ARG A 13 -9.892 6.094 2.339 1.00 52.15 N ATOM 0 H ARG A 13 -4.239 0.588 5.471 1.00 31.53 H new ATOM 0 HA ARG A 13 -6.626 0.760 3.972 1.00 71.11 H new ATOM 0 HB2 ARG A 13 -5.674 2.544 5.409 1.00 14.14 H new ATOM 0 HB3 ARG A 13 -4.277 2.673 4.359 1.00 14.14 H new ATOM 0 HG2 ARG A 13 -5.736 4.535 3.901 1.00 14.30 H new ATOM 0 HG3 ARG A 13 -5.761 3.472 2.508 1.00 14.30 H new ATOM 0 HD2 ARG A 13 -7.949 2.550 3.202 1.00 22.21 H new ATOM 0 HD3 ARG A 13 -7.914 3.502 4.673 1.00 22.21 H new ATOM 0 HE ARG A 13 -7.612 5.153 2.279 1.00 10.02 H new ATOM 0 HH11 ARG A 13 -10.045 3.575 4.343 1.00 51.45 H new ATOM 0 HH12 ARG A 13 -11.319 4.702 3.865 1.00 51.45 H new ATOM 0 HH21 ARG A 13 -9.232 6.604 1.753 1.00 52.15 H new ATOM 0 HH22 ARG A 13 -10.860 6.407 2.408 1.00 52.15 H new ATOM 232 N ILE A 14 -3.831 0.917 2.147 1.00 21.20 N ATOM 233 CA ILE A 14 -3.292 0.795 0.775 1.00 12.20 C ATOM 234 C ILE A 14 -3.493 -0.647 0.240 1.00 71.12 C ATOM 235 O ILE A 14 -3.920 -0.824 -0.899 1.00 32.42 O ATOM 236 CB ILE A 14 -1.762 1.198 0.689 1.00 71.54 C ATOM 237 CG1 ILE A 14 -1.501 2.603 1.321 1.00 4.41 C ATOM 238 CG2 ILE A 14 -1.262 1.189 -0.781 1.00 71.23 C ATOM 239 CD1 ILE A 14 -0.036 3.025 1.325 1.00 3.34 C ATOM 0 H ILE A 14 -3.119 1.087 2.858 1.00 21.20 H new ATOM 0 HA ILE A 14 -3.849 1.495 0.151 1.00 12.20 H new ATOM 0 HB ILE A 14 -1.206 0.453 1.258 1.00 71.54 H new ATOM 0 HG12 ILE A 14 -2.080 3.348 0.775 1.00 4.41 H new ATOM 0 HG13 ILE A 14 -1.870 2.602 2.347 1.00 4.41 H new ATOM 0 HG21 ILE A 14 -0.209 1.469 -0.809 1.00 71.23 H new ATOM 0 HG22 ILE A 14 -1.383 0.190 -1.200 1.00 71.23 H new ATOM 0 HG23 ILE A 14 -1.843 1.901 -1.367 1.00 71.23 H new ATOM 0 HD11 ILE A 14 0.057 4.011 1.780 1.00 3.34 H new ATOM 0 HD12 ILE A 14 0.549 2.304 1.897 1.00 3.34 H new ATOM 0 HD13 ILE A 14 0.335 3.062 0.301 1.00 3.34 H new ATOM 251 N ALA A 15 -3.229 -1.665 1.104 1.00 14.42 N ATOM 252 CA ALA A 15 -3.348 -3.099 0.734 1.00 21.30 C ATOM 253 C ALA A 15 -4.773 -3.468 0.307 1.00 5.41 C ATOM 254 O ALA A 15 -4.972 -4.084 -0.744 1.00 43.12 O ATOM 255 CB ALA A 15 -2.902 -4.004 1.891 1.00 4.23 C ATOM 0 H ALA A 15 -2.930 -1.515 2.068 1.00 14.42 H new ATOM 0 HA ALA A 15 -2.689 -3.258 -0.120 1.00 21.30 H new ATOM 0 HB1 ALA A 15 -2.999 -5.048 1.594 1.00 4.23 H new ATOM 0 HB2 ALA A 15 -1.862 -3.792 2.139 1.00 4.23 H new ATOM 0 HB3 ALA A 15 -3.528 -3.815 2.763 1.00 4.23 H new ATOM 261 N LEU A 16 -5.744 -3.043 1.130 1.00 53.13 N ATOM 262 CA LEU A 16 -7.175 -3.372 0.937 1.00 60.11 C ATOM 263 C LEU A 16 -7.742 -2.643 -0.284 1.00 21.11 C ATOM 264 O LEU A 16 -8.467 -3.245 -1.079 1.00 61.02 O ATOM 265 CB LEU A 16 -8.022 -3.023 2.195 1.00 71.42 C ATOM 266 CG LEU A 16 -7.751 -3.872 3.479 1.00 72.32 C ATOM 267 CD1 LEU A 16 -8.603 -3.360 4.664 1.00 21.22 C ATOM 268 CD2 LEU A 16 -7.988 -5.378 3.220 1.00 55.14 C ATOM 0 H LEU A 16 -5.565 -2.462 1.949 1.00 53.13 H new ATOM 0 HA LEU A 16 -7.235 -4.448 0.772 1.00 60.11 H new ATOM 0 HB2 LEU A 16 -7.854 -1.974 2.439 1.00 71.42 H new ATOM 0 HB3 LEU A 16 -9.076 -3.125 1.935 1.00 71.42 H new ATOM 0 HG LEU A 16 -6.701 -3.753 3.746 1.00 72.32 H new ATOM 0 HD11 LEU A 16 -8.399 -3.965 5.547 1.00 21.22 H new ATOM 0 HD12 LEU A 16 -8.351 -2.320 4.871 1.00 21.22 H new ATOM 0 HD13 LEU A 16 -9.661 -3.434 4.410 1.00 21.22 H new ATOM 0 HD21 LEU A 16 -7.791 -5.940 4.133 1.00 55.14 H new ATOM 0 HD22 LEU A 16 -9.022 -5.536 2.913 1.00 55.14 H new ATOM 0 HD23 LEU A 16 -7.319 -5.721 2.431 1.00 55.14 H new ATOM 280 N LEU A 17 -7.408 -1.337 -0.415 1.00 63.22 N ATOM 281 CA LEU A 17 -7.879 -0.511 -1.538 1.00 72.22 C ATOM 282 C LEU A 17 -7.348 -1.060 -2.870 1.00 42.15 C ATOM 283 O LEU A 17 -8.141 -1.366 -3.742 1.00 22.32 O ATOM 284 CB LEU A 17 -7.497 0.986 -1.364 1.00 25.11 C ATOM 285 CG LEU A 17 -8.259 1.772 -0.250 1.00 22.24 C ATOM 286 CD1 LEU A 17 -7.824 3.259 -0.226 1.00 71.43 C ATOM 287 CD2 LEU A 17 -9.788 1.628 -0.427 1.00 14.13 C ATOM 0 H LEU A 17 -6.813 -0.838 0.247 1.00 63.22 H new ATOM 0 HA LEU A 17 -8.968 -0.564 -1.547 1.00 72.22 H new ATOM 0 HB2 LEU A 17 -6.429 1.044 -1.153 1.00 25.11 H new ATOM 0 HB3 LEU A 17 -7.662 1.494 -2.314 1.00 25.11 H new ATOM 0 HG LEU A 17 -7.997 1.340 0.716 1.00 22.24 H new ATOM 0 HD11 LEU A 17 -8.369 3.785 0.558 1.00 71.43 H new ATOM 0 HD12 LEU A 17 -6.754 3.322 -0.029 1.00 71.43 H new ATOM 0 HD13 LEU A 17 -8.043 3.718 -1.190 1.00 71.43 H new ATOM 0 HD21 LEU A 17 -10.299 2.183 0.359 1.00 14.13 H new ATOM 0 HD22 LEU A 17 -10.081 2.024 -1.400 1.00 14.13 H new ATOM 0 HD23 LEU A 17 -10.064 0.575 -0.366 1.00 14.13 H new ATOM 299 N SER A 18 -6.014 -1.247 -2.971 1.00 40.11 N ATOM 300 CA SER A 18 -5.353 -1.738 -4.199 1.00 41.40 C ATOM 301 C SER A 18 -5.857 -3.139 -4.587 1.00 24.33 C ATOM 302 O SER A 18 -6.004 -3.432 -5.772 1.00 44.15 O ATOM 303 CB SER A 18 -3.833 -1.790 -4.002 1.00 13.23 C ATOM 304 OG SER A 18 -3.489 -2.720 -2.988 1.00 12.43 O ATOM 0 H SER A 18 -5.367 -1.062 -2.205 1.00 40.11 H new ATOM 0 HA SER A 18 -5.599 -1.043 -5.002 1.00 41.40 H new ATOM 0 HB2 SER A 18 -3.350 -2.070 -4.938 1.00 13.23 H new ATOM 0 HB3 SER A 18 -3.462 -0.800 -3.735 1.00 13.23 H new ATOM 0 HG SER A 18 -2.643 -2.452 -2.571 1.00 12.43 H new ATOM 310 N GLN A 19 -6.099 -3.994 -3.558 1.00 25.33 N ATOM 311 CA GLN A 19 -6.631 -5.354 -3.748 1.00 54.40 C ATOM 312 C GLN A 19 -8.025 -5.297 -4.372 1.00 34.02 C ATOM 313 O GLN A 19 -8.292 -5.979 -5.359 1.00 71.45 O ATOM 314 CB GLN A 19 -6.674 -6.125 -2.403 1.00 63.34 C ATOM 315 CG GLN A 19 -7.044 -7.621 -2.517 1.00 52.45 C ATOM 316 CD GLN A 19 -6.061 -8.409 -3.382 1.00 3.12 C ATOM 317 OE1 GLN A 19 -4.987 -8.880 -2.772 1.00 4.12 O flip ATOM 318 NE2 GLN A 19 -6.247 -8.573 -4.590 1.00 61.33 N flip ATOM 0 H GLN A 19 -5.929 -3.754 -2.581 1.00 25.33 H new ATOM 0 HA GLN A 19 -5.965 -5.888 -4.425 1.00 54.40 H new ATOM 0 HB2 GLN A 19 -5.698 -6.043 -1.924 1.00 63.34 H new ATOM 0 HB3 GLN A 19 -7.394 -5.638 -1.745 1.00 63.34 H new ATOM 0 HG2 GLN A 19 -7.076 -8.060 -1.520 1.00 52.45 H new ATOM 0 HG3 GLN A 19 -8.045 -7.712 -2.938 1.00 52.45 H new ATOM 0 HE21 GLN A 19 -7.086 -8.198 -5.032 1.00 61.33 H new ATOM 0 HE22 GLN A 19 -5.562 -9.084 -5.147 1.00 61.33 H new ATOM 327 N SER A 20 -8.888 -4.436 -3.796 1.00 4.33 N ATOM 328 CA SER A 20 -10.236 -4.200 -4.313 1.00 41.40 C ATOM 329 C SER A 20 -10.170 -3.692 -5.761 1.00 41.33 C ATOM 330 O SER A 20 -10.790 -4.272 -6.627 1.00 20.53 O ATOM 331 CB SER A 20 -10.998 -3.202 -3.424 1.00 1.44 C ATOM 332 OG SER A 20 -11.144 -3.708 -2.108 1.00 34.24 O ATOM 0 H SER A 20 -8.664 -3.891 -2.964 1.00 4.33 H new ATOM 0 HA SER A 20 -10.778 -5.145 -4.300 1.00 41.40 H new ATOM 0 HB2 SER A 20 -10.464 -2.252 -3.396 1.00 1.44 H new ATOM 0 HB3 SER A 20 -11.980 -3.003 -3.853 1.00 1.44 H new ATOM 0 HG SER A 20 -10.300 -3.603 -1.622 1.00 34.24 H new ATOM 338 N LEU A 21 -9.321 -2.674 -6.004 1.00 0.53 N ATOM 339 CA LEU A 21 -9.183 -2.012 -7.315 1.00 53.12 C ATOM 340 C LEU A 21 -8.641 -2.985 -8.378 1.00 71.21 C ATOM 341 O LEU A 21 -8.986 -2.872 -9.556 1.00 32.51 O ATOM 342 CB LEU A 21 -8.255 -0.763 -7.209 1.00 12.40 C ATOM 343 CG LEU A 21 -8.716 0.374 -6.238 1.00 62.13 C ATOM 344 CD1 LEU A 21 -7.745 1.580 -6.270 1.00 14.13 C ATOM 345 CD2 LEU A 21 -10.168 0.801 -6.525 1.00 71.24 C ATOM 0 H LEU A 21 -8.706 -2.285 -5.289 1.00 0.53 H new ATOM 0 HA LEU A 21 -10.176 -1.686 -7.625 1.00 53.12 H new ATOM 0 HB2 LEU A 21 -7.267 -1.099 -6.895 1.00 12.40 H new ATOM 0 HB3 LEU A 21 -8.145 -0.336 -8.206 1.00 12.40 H new ATOM 0 HG LEU A 21 -8.690 -0.029 -5.225 1.00 62.13 H new ATOM 0 HD11 LEU A 21 -8.098 2.349 -5.583 1.00 14.13 H new ATOM 0 HD12 LEU A 21 -6.750 1.254 -5.969 1.00 14.13 H new ATOM 0 HD13 LEU A 21 -7.703 1.987 -7.280 1.00 14.13 H new ATOM 0 HD21 LEU A 21 -10.458 1.592 -5.834 1.00 71.24 H new ATOM 0 HD22 LEU A 21 -10.244 1.168 -7.549 1.00 71.24 H new ATOM 0 HD23 LEU A 21 -10.831 -0.054 -6.396 1.00 71.24 H new ATOM 357 N LEU A 22 -7.802 -3.950 -7.936 1.00 13.53 N ATOM 358 CA LEU A 22 -7.247 -4.997 -8.809 1.00 12.23 C ATOM 359 C LEU A 22 -8.365 -5.930 -9.272 1.00 43.22 C ATOM 360 O LEU A 22 -8.574 -6.099 -10.477 1.00 1.45 O ATOM 361 CB LEU A 22 -6.145 -5.812 -8.085 1.00 54.43 C ATOM 362 CG LEU A 22 -5.533 -6.992 -8.917 1.00 44.41 C ATOM 363 CD1 LEU A 22 -4.825 -6.480 -10.195 1.00 24.22 C ATOM 364 CD2 LEU A 22 -4.593 -7.855 -8.055 1.00 20.30 C ATOM 0 H LEU A 22 -7.495 -4.020 -6.966 1.00 13.53 H new ATOM 0 HA LEU A 22 -6.793 -4.512 -9.673 1.00 12.23 H new ATOM 0 HB2 LEU A 22 -5.341 -5.133 -7.801 1.00 54.43 H new ATOM 0 HB3 LEU A 22 -6.561 -6.217 -7.162 1.00 54.43 H new ATOM 0 HG LEU A 22 -6.357 -7.628 -9.239 1.00 44.41 H new ATOM 0 HD11 LEU A 22 -4.413 -7.325 -10.746 1.00 24.22 H new ATOM 0 HD12 LEU A 22 -5.544 -5.953 -10.823 1.00 24.22 H new ATOM 0 HD13 LEU A 22 -4.019 -5.801 -9.917 1.00 24.22 H new ATOM 0 HD21 LEU A 22 -4.185 -8.664 -8.660 1.00 20.30 H new ATOM 0 HD22 LEU A 22 -3.778 -7.238 -7.677 1.00 20.30 H new ATOM 0 HD23 LEU A 22 -5.150 -8.274 -7.217 1.00 20.30 H new ATOM 376 N GLU A 23 -9.089 -6.495 -8.280 1.00 50.31 N ATOM 377 CA GLU A 23 -10.208 -7.420 -8.513 1.00 14.51 C ATOM 378 C GLU A 23 -11.254 -6.779 -9.439 1.00 32.44 C ATOM 379 O GLU A 23 -11.607 -7.342 -10.468 1.00 22.24 O ATOM 380 CB GLU A 23 -10.863 -7.819 -7.164 1.00 70.30 C ATOM 381 CG GLU A 23 -9.925 -8.555 -6.186 1.00 24.53 C ATOM 382 CD GLU A 23 -10.573 -8.814 -4.819 1.00 31.43 C ATOM 383 OE1 GLU A 23 -10.604 -7.889 -3.975 1.00 54.13 O ATOM 384 OE2 GLU A 23 -11.082 -9.936 -4.584 1.00 11.34 O ATOM 0 H GLU A 23 -8.908 -6.318 -7.292 1.00 50.31 H new ATOM 0 HA GLU A 23 -9.820 -8.317 -8.996 1.00 14.51 H new ATOM 0 HB2 GLU A 23 -11.239 -6.919 -6.678 1.00 70.30 H new ATOM 0 HB3 GLU A 23 -11.725 -8.455 -7.368 1.00 70.30 H new ATOM 0 HG2 GLU A 23 -9.623 -9.506 -6.626 1.00 24.53 H new ATOM 0 HG3 GLU A 23 -9.018 -7.966 -6.047 1.00 24.53 H new ATOM 391 N LEU A 24 -11.657 -5.553 -9.075 1.00 71.33 N ATOM 392 CA LEU A 24 -12.683 -4.774 -9.775 1.00 63.21 C ATOM 393 C LEU A 24 -12.243 -4.436 -11.216 1.00 33.03 C ATOM 394 O LEU A 24 -13.061 -4.460 -12.121 1.00 3.12 O ATOM 395 CB LEU A 24 -13.018 -3.489 -8.966 1.00 34.22 C ATOM 396 CG LEU A 24 -13.620 -3.727 -7.538 1.00 42.33 C ATOM 397 CD1 LEU A 24 -13.765 -2.405 -6.752 1.00 63.04 C ATOM 398 CD2 LEU A 24 -14.952 -4.498 -7.614 1.00 63.40 C ATOM 0 H LEU A 24 -11.268 -5.066 -8.267 1.00 71.33 H new ATOM 0 HA LEU A 24 -13.587 -5.378 -9.851 1.00 63.21 H new ATOM 0 HB2 LEU A 24 -12.108 -2.898 -8.863 1.00 34.22 H new ATOM 0 HB3 LEU A 24 -13.723 -2.891 -9.543 1.00 34.22 H new ATOM 0 HG LEU A 24 -12.916 -4.349 -6.985 1.00 42.33 H new ATOM 0 HD11 LEU A 24 -14.185 -2.611 -5.768 1.00 63.04 H new ATOM 0 HD12 LEU A 24 -12.786 -1.940 -6.638 1.00 63.04 H new ATOM 0 HD13 LEU A 24 -14.426 -1.730 -7.295 1.00 63.04 H new ATOM 0 HD21 LEU A 24 -15.344 -4.647 -6.608 1.00 63.40 H new ATOM 0 HD22 LEU A 24 -15.670 -3.927 -8.202 1.00 63.40 H new ATOM 0 HD23 LEU A 24 -14.785 -5.466 -8.086 1.00 63.40 H new ATOM 410 N ALA A 25 -10.936 -4.170 -11.417 1.00 40.02 N ATOM 411 CA ALA A 25 -10.359 -3.938 -12.765 1.00 73.24 C ATOM 412 C ALA A 25 -10.473 -5.201 -13.649 1.00 23.13 C ATOM 413 O ALA A 25 -10.818 -5.115 -14.833 1.00 23.41 O ATOM 414 CB ALA A 25 -8.897 -3.498 -12.647 1.00 64.13 C ATOM 0 H ALA A 25 -10.254 -4.110 -10.661 1.00 40.02 H new ATOM 0 HA ALA A 25 -10.930 -3.143 -13.244 1.00 73.24 H new ATOM 0 HB1 ALA A 25 -8.486 -3.331 -13.643 1.00 64.13 H new ATOM 0 HB2 ALA A 25 -8.840 -2.574 -12.072 1.00 64.13 H new ATOM 0 HB3 ALA A 25 -8.323 -4.275 -12.143 1.00 64.13 H new ATOM 420 N GLN A 26 -10.209 -6.368 -13.026 1.00 34.33 N ATOM 421 CA GLN A 26 -10.304 -7.695 -13.681 1.00 71.22 C ATOM 422 C GLN A 26 -11.779 -8.089 -13.942 1.00 22.11 C ATOM 423 O GLN A 26 -12.059 -8.926 -14.803 1.00 73.14 O ATOM 424 CB GLN A 26 -9.623 -8.764 -12.784 1.00 73.32 C ATOM 425 CG GLN A 26 -8.128 -8.493 -12.484 1.00 70.22 C ATOM 426 CD GLN A 26 -7.554 -9.373 -11.367 1.00 52.43 C ATOM 427 OE1 GLN A 26 -8.264 -9.795 -10.455 1.00 4.41 O ATOM 428 NE2 GLN A 26 -6.256 -9.624 -11.407 1.00 45.34 N ATOM 0 H GLN A 26 -9.922 -6.420 -12.049 1.00 34.33 H new ATOM 0 HA GLN A 26 -9.795 -7.641 -14.643 1.00 71.22 H new ATOM 0 HB2 GLN A 26 -10.164 -8.826 -11.840 1.00 73.32 H new ATOM 0 HB3 GLN A 26 -9.713 -9.737 -13.268 1.00 73.32 H new ATOM 0 HG2 GLN A 26 -7.549 -8.653 -13.394 1.00 70.22 H new ATOM 0 HG3 GLN A 26 -8.006 -7.446 -12.208 1.00 70.22 H new ATOM 0 HE21 GLN A 26 -5.690 -9.262 -12.175 1.00 45.34 H new ATOM 0 HE22 GLN A 26 -5.821 -10.179 -10.670 1.00 45.34 H new ATOM 437 N ARG A 27 -12.700 -7.495 -13.158 1.00 35.13 N ATOM 438 CA ARG A 27 -14.161 -7.690 -13.305 1.00 35.13 C ATOM 439 C ARG A 27 -14.788 -6.626 -14.230 1.00 1.41 C ATOM 440 O ARG A 27 -15.952 -6.755 -14.622 1.00 71.12 O ATOM 441 CB ARG A 27 -14.831 -7.641 -11.907 1.00 75.32 C ATOM 442 CG ARG A 27 -14.321 -8.725 -10.929 1.00 34.21 C ATOM 443 CD ARG A 27 -14.794 -8.490 -9.485 1.00 63.03 C ATOM 444 NE ARG A 27 -14.098 -9.363 -8.529 1.00 23.53 N ATOM 445 CZ ARG A 27 -14.427 -9.501 -7.238 1.00 3.23 C ATOM 446 NH1 ARG A 27 -15.458 -8.830 -6.722 1.00 43.20 N ATOM 447 NH2 ARG A 27 -13.719 -10.311 -6.469 1.00 4.44 N ATOM 0 H ARG A 27 -12.452 -6.861 -12.398 1.00 35.13 H new ATOM 0 HA ARG A 27 -14.330 -8.664 -13.763 1.00 35.13 H new ATOM 0 HB2 ARG A 27 -14.659 -6.659 -11.467 1.00 75.32 H new ATOM 0 HB3 ARG A 27 -15.909 -7.752 -12.027 1.00 75.32 H new ATOM 0 HG2 ARG A 27 -14.665 -9.703 -11.265 1.00 34.21 H new ATOM 0 HG3 ARG A 27 -13.231 -8.745 -10.951 1.00 34.21 H new ATOM 0 HD2 ARG A 27 -14.626 -7.448 -9.213 1.00 63.03 H new ATOM 0 HD3 ARG A 27 -15.868 -8.666 -9.422 1.00 63.03 H new ATOM 0 HE ARG A 27 -13.305 -9.904 -8.875 1.00 23.53 H new ATOM 0 HH11 ARG A 27 -16.005 -8.204 -7.312 1.00 43.20 H new ATOM 0 HH12 ARG A 27 -15.699 -8.943 -5.737 1.00 43.20 H new ATOM 0 HH21 ARG A 27 -12.929 -10.825 -6.860 1.00 4.44 H new ATOM 0 HH22 ARG A 27 -13.963 -10.422 -5.485 1.00 4.44 H new ATOM 461 N GLY A 28 -14.015 -5.571 -14.561 1.00 14.04 N ATOM 462 CA GLY A 28 -14.474 -4.503 -15.457 1.00 25.24 C ATOM 463 C GLY A 28 -15.203 -3.363 -14.742 1.00 73.11 C ATOM 464 O GLY A 28 -15.757 -2.480 -15.399 1.00 52.14 O ATOM 0 H GLY A 28 -13.064 -5.441 -14.215 1.00 14.04 H new ATOM 0 HA2 GLY A 28 -13.615 -4.094 -15.989 1.00 25.24 H new ATOM 0 HA3 GLY A 28 -15.139 -4.932 -16.207 1.00 25.24 H new ATOM 468 N GLU A 29 -15.210 -3.395 -13.397 1.00 33.54 N ATOM 469 CA GLU A 29 -15.796 -2.345 -12.528 1.00 40.00 C ATOM 470 C GLU A 29 -14.851 -1.120 -12.393 1.00 23.11 C ATOM 471 O GLU A 29 -14.522 -0.688 -11.276 1.00 2.42 O ATOM 472 CB GLU A 29 -16.095 -2.952 -11.129 1.00 51.20 C ATOM 473 CG GLU A 29 -17.035 -4.170 -11.130 1.00 3.42 C ATOM 474 CD GLU A 29 -18.422 -3.854 -11.709 1.00 12.12 C ATOM 475 OE1 GLU A 29 -19.181 -3.099 -11.063 1.00 65.42 O ATOM 476 OE2 GLU A 29 -18.754 -4.339 -12.818 1.00 25.15 O ATOM 0 H GLU A 29 -14.801 -4.165 -12.868 1.00 33.54 H new ATOM 0 HA GLU A 29 -16.720 -1.992 -12.985 1.00 40.00 H new ATOM 0 HB2 GLU A 29 -15.151 -3.242 -10.667 1.00 51.20 H new ATOM 0 HB3 GLU A 29 -16.532 -2.176 -10.500 1.00 51.20 H new ATOM 0 HG2 GLU A 29 -16.580 -4.974 -11.709 1.00 3.42 H new ATOM 0 HG3 GLU A 29 -17.148 -4.537 -10.110 1.00 3.42 H new ATOM 483 N TRP A 30 -14.473 -0.539 -13.548 1.00 35.10 N ATOM 484 CA TRP A 30 -13.536 0.604 -13.636 1.00 31.44 C ATOM 485 C TRP A 30 -14.104 1.864 -12.964 1.00 20.24 C ATOM 486 O TRP A 30 -13.347 2.717 -12.490 1.00 4.53 O ATOM 487 CB TRP A 30 -13.205 0.904 -15.118 1.00 3.34 C ATOM 488 CG TRP A 30 -12.529 -0.247 -15.833 1.00 11.45 C ATOM 489 CD1 TRP A 30 -13.100 -1.157 -16.681 1.00 44.14 C ATOM 490 CD2 TRP A 30 -11.143 -0.608 -15.742 1.00 31.45 C ATOM 491 NE1 TRP A 30 -12.162 -2.063 -17.103 1.00 24.10 N ATOM 492 CE2 TRP A 30 -10.953 -1.743 -16.551 1.00 54.32 C ATOM 493 CE3 TRP A 30 -10.049 -0.078 -15.054 1.00 51.42 C ATOM 494 CZ2 TRP A 30 -9.712 -2.359 -16.686 1.00 32.20 C ATOM 495 CZ3 TRP A 30 -8.818 -0.682 -15.194 1.00 22.50 C ATOM 496 CH2 TRP A 30 -8.660 -1.812 -16.004 1.00 22.21 C ATOM 0 H TRP A 30 -14.812 -0.852 -14.458 1.00 35.10 H new ATOM 0 HA TRP A 30 -12.626 0.325 -13.104 1.00 31.44 H new ATOM 0 HB2 TRP A 30 -14.126 1.157 -15.643 1.00 3.34 H new ATOM 0 HB3 TRP A 30 -12.559 1.781 -15.167 1.00 3.34 H new ATOM 0 HD1 TRP A 30 -14.139 -1.161 -16.975 1.00 44.14 H new ATOM 0 HE1 TRP A 30 -12.338 -2.849 -17.728 1.00 24.10 H new ATOM 0 HE3 TRP A 30 -10.166 0.791 -14.423 1.00 51.42 H new ATOM 0 HZ2 TRP A 30 -9.585 -3.235 -17.305 1.00 32.20 H new ATOM 0 HZ3 TRP A 30 -7.964 -0.278 -14.671 1.00 22.50 H new ATOM 0 HH2 TRP A 30 -7.683 -2.264 -16.093 1.00 22.21 H new ATOM 507 N ASP A 31 -15.441 1.949 -12.940 1.00 70.02 N ATOM 508 CA ASP A 31 -16.186 3.028 -12.279 1.00 63.15 C ATOM 509 C ASP A 31 -15.802 3.110 -10.791 1.00 51.12 C ATOM 510 O ASP A 31 -15.449 4.175 -10.290 1.00 60.21 O ATOM 511 CB ASP A 31 -17.707 2.778 -12.421 1.00 14.12 C ATOM 512 CG ASP A 31 -18.169 2.644 -13.883 1.00 41.01 C ATOM 513 OD1 ASP A 31 -18.714 3.619 -14.447 1.00 45.31 O ATOM 514 OD2 ASP A 31 -17.964 1.560 -14.478 1.00 33.35 O ATOM 0 H ASP A 31 -16.045 1.259 -13.387 1.00 70.02 H new ATOM 0 HA ASP A 31 -15.933 3.975 -12.756 1.00 63.15 H new ATOM 0 HB2 ASP A 31 -17.971 1.870 -11.879 1.00 14.12 H new ATOM 0 HB3 ASP A 31 -18.248 3.599 -11.950 1.00 14.12 H new ATOM 519 N LEU A 32 -15.800 1.936 -10.124 1.00 24.54 N ATOM 520 CA LEU A 32 -15.459 1.818 -8.697 1.00 74.41 C ATOM 521 C LEU A 32 -13.983 2.202 -8.441 1.00 33.41 C ATOM 522 O LEU A 32 -13.655 2.673 -7.357 1.00 0.12 O ATOM 523 CB LEU A 32 -15.781 0.389 -8.185 1.00 43.13 C ATOM 524 CG LEU A 32 -17.289 -0.033 -8.255 1.00 3.32 C ATOM 525 CD1 LEU A 32 -17.482 -1.494 -7.792 1.00 55.53 C ATOM 526 CD2 LEU A 32 -18.180 0.931 -7.433 1.00 4.32 C ATOM 0 H LEU A 32 -16.035 1.046 -10.563 1.00 24.54 H new ATOM 0 HA LEU A 32 -16.071 2.522 -8.134 1.00 74.41 H new ATOM 0 HB2 LEU A 32 -15.195 -0.325 -8.764 1.00 43.13 H new ATOM 0 HB3 LEU A 32 -15.448 0.310 -7.150 1.00 43.13 H new ATOM 0 HG LEU A 32 -17.601 0.032 -9.297 1.00 3.32 H new ATOM 0 HD11 LEU A 32 -18.538 -1.758 -7.852 1.00 55.53 H new ATOM 0 HD12 LEU A 32 -16.905 -2.159 -8.435 1.00 55.53 H new ATOM 0 HD13 LEU A 32 -17.140 -1.598 -6.762 1.00 55.53 H new ATOM 0 HD21 LEU A 32 -19.220 0.612 -7.501 1.00 4.32 H new ATOM 0 HD22 LEU A 32 -17.864 0.918 -6.390 1.00 4.32 H new ATOM 0 HD23 LEU A 32 -18.084 1.942 -7.829 1.00 4.32 H new ATOM 538 N LEU A 33 -13.111 2.034 -9.470 1.00 64.04 N ATOM 539 CA LEU A 33 -11.715 2.535 -9.421 1.00 24.32 C ATOM 540 C LEU A 33 -11.694 4.074 -9.458 1.00 43.41 C ATOM 541 O LEU A 33 -10.902 4.686 -8.755 1.00 52.11 O ATOM 542 CB LEU A 33 -10.816 1.961 -10.568 1.00 51.20 C ATOM 543 CG LEU A 33 -10.280 0.503 -10.371 1.00 50.23 C ATOM 544 CD1 LEU A 33 -11.404 -0.546 -10.440 1.00 73.00 C ATOM 545 CD2 LEU A 33 -9.146 0.185 -11.370 1.00 5.13 C ATOM 0 H LEU A 33 -13.351 1.557 -10.339 1.00 64.04 H new ATOM 0 HA LEU A 33 -11.294 2.182 -8.479 1.00 24.32 H new ATOM 0 HB2 LEU A 33 -11.386 1.993 -11.497 1.00 51.20 H new ATOM 0 HB3 LEU A 33 -9.961 2.625 -10.696 1.00 51.20 H new ATOM 0 HG LEU A 33 -9.864 0.449 -9.365 1.00 50.23 H new ATOM 0 HD11 LEU A 33 -10.982 -1.541 -10.298 1.00 73.00 H new ATOM 0 HD12 LEU A 33 -12.136 -0.347 -9.657 1.00 73.00 H new ATOM 0 HD13 LEU A 33 -11.891 -0.494 -11.414 1.00 73.00 H new ATOM 0 HD21 LEU A 33 -8.794 -0.834 -11.209 1.00 5.13 H new ATOM 0 HD22 LEU A 33 -9.521 0.283 -12.389 1.00 5.13 H new ATOM 0 HD23 LEU A 33 -8.322 0.882 -11.218 1.00 5.13 H new ATOM 557 N LEU A 34 -12.580 4.674 -10.282 1.00 4.22 N ATOM 558 CA LEU A 34 -12.676 6.150 -10.432 1.00 21.40 C ATOM 559 C LEU A 34 -13.175 6.833 -9.135 1.00 13.14 C ATOM 560 O LEU A 34 -12.711 7.922 -8.790 1.00 65.24 O ATOM 561 CB LEU A 34 -13.609 6.514 -11.623 1.00 34.21 C ATOM 562 CG LEU A 34 -13.220 5.905 -13.008 1.00 52.55 C ATOM 563 CD1 LEU A 34 -14.211 6.330 -14.109 1.00 43.14 C ATOM 564 CD2 LEU A 34 -11.769 6.258 -13.391 1.00 35.15 C ATOM 0 H LEU A 34 -13.245 4.158 -10.859 1.00 4.22 H new ATOM 0 HA LEU A 34 -11.672 6.522 -10.635 1.00 21.40 H new ATOM 0 HB2 LEU A 34 -14.621 6.192 -11.378 1.00 34.21 H new ATOM 0 HB3 LEU A 34 -13.635 7.599 -11.720 1.00 34.21 H new ATOM 0 HG LEU A 34 -13.280 4.821 -12.916 1.00 52.55 H new ATOM 0 HD11 LEU A 34 -13.910 5.889 -15.059 1.00 43.14 H new ATOM 0 HD12 LEU A 34 -15.212 5.986 -13.850 1.00 43.14 H new ATOM 0 HD13 LEU A 34 -14.212 7.416 -14.198 1.00 43.14 H new ATOM 0 HD21 LEU A 34 -11.531 5.819 -14.360 1.00 35.15 H new ATOM 0 HD22 LEU A 34 -11.661 7.341 -13.447 1.00 35.15 H new ATOM 0 HD23 LEU A 34 -11.088 5.864 -12.637 1.00 35.15 H new ATOM 576 N GLN A 35 -14.127 6.188 -8.431 1.00 23.21 N ATOM 577 CA GLN A 35 -14.658 6.703 -7.143 1.00 24.31 C ATOM 578 C GLN A 35 -13.611 6.561 -6.018 1.00 72.44 C ATOM 579 O GLN A 35 -13.324 7.527 -5.298 1.00 74.34 O ATOM 580 CB GLN A 35 -15.994 5.990 -6.755 1.00 31.20 C ATOM 581 CG GLN A 35 -17.258 6.521 -7.488 1.00 32.10 C ATOM 582 CD GLN A 35 -17.333 6.167 -8.977 1.00 33.40 C ATOM 583 OE1 GLN A 35 -17.923 5.158 -9.356 1.00 74.22 O ATOM 584 NE2 GLN A 35 -16.731 6.978 -9.837 1.00 34.23 N ATOM 0 H GLN A 35 -14.547 5.308 -8.730 1.00 23.21 H new ATOM 0 HA GLN A 35 -14.873 7.764 -7.273 1.00 24.31 H new ATOM 0 HB2 GLN A 35 -15.893 4.925 -6.962 1.00 31.20 H new ATOM 0 HB3 GLN A 35 -16.145 6.093 -5.680 1.00 31.20 H new ATOM 0 HG2 GLN A 35 -18.143 6.125 -6.990 1.00 32.10 H new ATOM 0 HG3 GLN A 35 -17.292 7.606 -7.385 1.00 32.10 H new ATOM 0 HE21 GLN A 35 -16.247 7.810 -9.500 1.00 34.23 H new ATOM 0 HE22 GLN A 35 -16.752 6.769 -10.835 1.00 34.23 H new ATOM 593 N GLN A 36 -13.030 5.354 -5.904 1.00 22.41 N ATOM 594 CA GLN A 36 -12.014 5.038 -4.878 1.00 13.32 C ATOM 595 C GLN A 36 -10.643 5.673 -5.207 1.00 2.13 C ATOM 596 O GLN A 36 -9.760 5.668 -4.351 1.00 44.44 O ATOM 597 CB GLN A 36 -11.877 3.503 -4.696 1.00 54.45 C ATOM 598 CG GLN A 36 -13.168 2.795 -4.216 1.00 53.44 C ATOM 599 CD GLN A 36 -13.614 3.188 -2.800 1.00 30.13 C ATOM 600 OE1 GLN A 36 -12.795 3.474 -1.927 1.00 72.23 O ATOM 601 NE2 GLN A 36 -14.919 3.223 -2.561 1.00 54.21 N ATOM 0 H GLN A 36 -13.249 4.570 -6.518 1.00 22.41 H new ATOM 0 HA GLN A 36 -12.356 5.472 -3.938 1.00 13.32 H new ATOM 0 HB2 GLN A 36 -11.568 3.064 -5.644 1.00 54.45 H new ATOM 0 HB3 GLN A 36 -11.081 3.305 -3.978 1.00 54.45 H new ATOM 0 HG2 GLN A 36 -13.974 3.021 -4.914 1.00 53.44 H new ATOM 0 HG3 GLN A 36 -13.011 1.717 -4.249 1.00 53.44 H new ATOM 0 HE21 GLN A 36 -15.579 2.982 -3.300 1.00 54.21 H new ATOM 0 HE22 GLN A 36 -15.261 3.491 -1.638 1.00 54.21 H new ATOM 610 N GLU A 37 -10.476 6.163 -6.469 1.00 3.13 N ATOM 611 CA GLU A 37 -9.252 6.852 -6.953 1.00 22.41 C ATOM 612 C GLU A 37 -8.789 7.943 -5.982 1.00 23.12 C ATOM 613 O GLU A 37 -7.710 7.823 -5.424 1.00 72.42 O ATOM 614 CB GLU A 37 -9.490 7.480 -8.353 1.00 70.33 C ATOM 615 CG GLU A 37 -8.262 8.190 -8.970 1.00 34.35 C ATOM 616 CD GLU A 37 -8.604 8.951 -10.261 1.00 63.24 C ATOM 617 OE1 GLU A 37 -8.660 8.327 -11.339 1.00 35.43 O ATOM 618 OE2 GLU A 37 -8.833 10.182 -10.201 1.00 64.31 O ATOM 0 H GLU A 37 -11.199 6.087 -7.184 1.00 3.13 H new ATOM 0 HA GLU A 37 -8.470 6.096 -7.020 1.00 22.41 H new ATOM 0 HB2 GLU A 37 -9.818 6.696 -9.035 1.00 70.33 H new ATOM 0 HB3 GLU A 37 -10.306 8.199 -8.278 1.00 70.33 H new ATOM 0 HG2 GLU A 37 -7.846 8.886 -8.242 1.00 34.35 H new ATOM 0 HG3 GLU A 37 -7.489 7.451 -9.182 1.00 34.35 H new ATOM 625 N VAL A 38 -9.657 8.958 -5.756 1.00 4.13 N ATOM 626 CA VAL A 38 -9.347 10.136 -4.905 1.00 12.02 C ATOM 627 C VAL A 38 -8.866 9.703 -3.506 1.00 13.34 C ATOM 628 O VAL A 38 -7.834 10.174 -3.007 1.00 23.11 O ATOM 629 CB VAL A 38 -10.605 11.080 -4.765 1.00 62.34 C ATOM 630 CG1 VAL A 38 -10.314 12.314 -3.876 1.00 73.23 C ATOM 631 CG2 VAL A 38 -11.112 11.527 -6.153 1.00 12.22 C ATOM 0 H VAL A 38 -10.594 8.985 -6.159 1.00 4.13 H new ATOM 0 HA VAL A 38 -8.544 10.687 -5.395 1.00 12.02 H new ATOM 0 HB VAL A 38 -11.385 10.499 -4.273 1.00 62.34 H new ATOM 0 HG11 VAL A 38 -11.208 12.933 -3.809 1.00 73.23 H new ATOM 0 HG12 VAL A 38 -10.026 11.984 -2.878 1.00 73.23 H new ATOM 0 HG13 VAL A 38 -9.502 12.895 -4.314 1.00 73.23 H new ATOM 0 HG21 VAL A 38 -11.979 12.176 -6.032 1.00 12.22 H new ATOM 0 HG22 VAL A 38 -10.322 12.070 -6.672 1.00 12.22 H new ATOM 0 HG23 VAL A 38 -11.394 10.651 -6.737 1.00 12.22 H new ATOM 641 N SER A 39 -9.603 8.750 -2.925 1.00 41.33 N ATOM 642 CA SER A 39 -9.310 8.202 -1.603 1.00 32.51 C ATOM 643 C SER A 39 -7.973 7.429 -1.588 1.00 42.24 C ATOM 644 O SER A 39 -7.203 7.555 -0.635 1.00 54.45 O ATOM 645 CB SER A 39 -10.475 7.304 -1.157 1.00 50.42 C ATOM 646 OG SER A 39 -11.686 8.035 -1.149 1.00 52.04 O ATOM 0 H SER A 39 -10.425 8.337 -3.365 1.00 41.33 H new ATOM 0 HA SER A 39 -9.202 9.027 -0.899 1.00 32.51 H new ATOM 0 HB2 SER A 39 -10.563 6.450 -1.829 1.00 50.42 H new ATOM 0 HB3 SER A 39 -10.276 6.907 -0.162 1.00 50.42 H new ATOM 0 HG SER A 39 -12.419 7.450 -0.865 1.00 52.04 H new ATOM 652 N TYR A 40 -7.682 6.683 -2.678 1.00 11.01 N ATOM 653 CA TYR A 40 -6.465 5.854 -2.785 1.00 71.34 C ATOM 654 C TYR A 40 -5.216 6.741 -2.895 1.00 54.12 C ATOM 655 O TYR A 40 -4.230 6.501 -2.190 1.00 51.21 O ATOM 656 CB TYR A 40 -6.549 4.888 -3.998 1.00 21.10 C ATOM 657 CG TYR A 40 -5.381 3.884 -4.075 1.00 43.21 C ATOM 658 CD1 TYR A 40 -5.144 2.991 -3.026 1.00 73.21 C ATOM 659 CD2 TYR A 40 -4.523 3.816 -5.183 1.00 33.11 C ATOM 660 CE1 TYR A 40 -4.113 2.079 -3.068 1.00 24.02 C ATOM 661 CE2 TYR A 40 -3.483 2.898 -5.224 1.00 44.44 C ATOM 662 CZ TYR A 40 -3.286 2.032 -4.163 1.00 51.24 C ATOM 663 OH TYR A 40 -2.260 1.113 -4.195 1.00 43.32 O ATOM 0 H TYR A 40 -8.282 6.640 -3.502 1.00 11.01 H new ATOM 0 HA TYR A 40 -6.389 5.253 -1.879 1.00 71.34 H new ATOM 0 HB2 TYR A 40 -7.488 4.336 -3.947 1.00 21.10 H new ATOM 0 HB3 TYR A 40 -6.573 5.474 -4.917 1.00 21.10 H new ATOM 0 HD1 TYR A 40 -5.787 3.017 -2.159 1.00 73.21 H new ATOM 0 HD2 TYR A 40 -4.674 4.487 -6.015 1.00 33.11 H new ATOM 0 HE1 TYR A 40 -3.955 1.402 -2.241 1.00 24.02 H new ATOM 0 HE2 TYR A 40 -2.829 2.860 -6.082 1.00 44.44 H new ATOM 0 HH TYR A 40 -2.286 0.623 -5.043 1.00 43.32 H new ATOM 673 N LEU A 41 -5.305 7.771 -3.771 1.00 34.31 N ATOM 674 CA LEU A 41 -4.241 8.769 -3.984 1.00 63.20 C ATOM 675 C LEU A 41 -3.876 9.435 -2.647 1.00 33.32 C ATOM 676 O LEU A 41 -2.710 9.456 -2.251 1.00 12.44 O ATOM 677 CB LEU A 41 -4.695 9.877 -4.983 1.00 62.43 C ATOM 678 CG LEU A 41 -5.227 9.427 -6.380 1.00 35.45 C ATOM 679 CD1 LEU A 41 -5.810 10.631 -7.154 1.00 33.42 C ATOM 680 CD2 LEU A 41 -4.149 8.690 -7.209 1.00 63.00 C ATOM 0 H LEU A 41 -6.128 7.929 -4.353 1.00 34.31 H new ATOM 0 HA LEU A 41 -3.378 8.249 -4.400 1.00 63.20 H new ATOM 0 HB2 LEU A 41 -5.477 10.463 -4.500 1.00 62.43 H new ATOM 0 HB3 LEU A 41 -3.850 10.546 -5.146 1.00 62.43 H new ATOM 0 HG LEU A 41 -6.029 8.709 -6.208 1.00 35.45 H new ATOM 0 HD11 LEU A 41 -6.176 10.297 -8.125 1.00 33.42 H new ATOM 0 HD12 LEU A 41 -6.633 11.065 -6.586 1.00 33.42 H new ATOM 0 HD13 LEU A 41 -5.033 11.382 -7.298 1.00 33.42 H new ATOM 0 HD21 LEU A 41 -4.568 8.397 -8.172 1.00 63.00 H new ATOM 0 HD22 LEU A 41 -3.298 9.352 -7.369 1.00 63.00 H new ATOM 0 HD23 LEU A 41 -3.821 7.801 -6.671 1.00 63.00 H new ATOM 692 N GLN A 42 -4.931 9.931 -1.957 1.00 3.31 N ATOM 693 CA GLN A 42 -4.830 10.599 -0.650 1.00 24.45 C ATOM 694 C GLN A 42 -4.101 9.710 0.368 1.00 45.23 C ATOM 695 O GLN A 42 -3.161 10.160 1.030 1.00 14.12 O ATOM 696 CB GLN A 42 -6.254 10.945 -0.132 1.00 13.40 C ATOM 697 CG GLN A 42 -6.296 11.737 1.196 1.00 11.05 C ATOM 698 CD GLN A 42 -7.715 11.960 1.742 1.00 43.54 C ATOM 699 OE1 GLN A 42 -8.690 12.027 0.994 1.00 43.24 O ATOM 700 NE2 GLN A 42 -7.836 12.087 3.051 1.00 34.52 N ATOM 0 H GLN A 42 -5.888 9.874 -2.304 1.00 3.31 H new ATOM 0 HA GLN A 42 -4.253 11.516 -0.772 1.00 24.45 H new ATOM 0 HB2 GLN A 42 -6.772 11.523 -0.898 1.00 13.40 H new ATOM 0 HB3 GLN A 42 -6.811 10.017 -0.001 1.00 13.40 H new ATOM 0 HG2 GLN A 42 -5.709 11.205 1.944 1.00 11.05 H new ATOM 0 HG3 GLN A 42 -5.819 12.705 1.046 1.00 11.05 H new ATOM 0 HE21 GLN A 42 -7.011 12.027 3.648 1.00 34.52 H new ATOM 0 HE22 GLN A 42 -8.755 12.245 3.465 1.00 34.52 H new ATOM 709 N SER A 43 -4.527 8.432 0.433 1.00 74.35 N ATOM 710 CA SER A 43 -3.986 7.448 1.377 1.00 32.23 C ATOM 711 C SER A 43 -2.474 7.259 1.181 1.00 1.21 C ATOM 712 O SER A 43 -1.688 7.621 2.059 1.00 33.04 O ATOM 713 CB SER A 43 -4.718 6.098 1.208 1.00 24.43 C ATOM 714 OG SER A 43 -6.101 6.228 1.493 1.00 3.34 O ATOM 0 H SER A 43 -5.258 8.058 -0.172 1.00 74.35 H new ATOM 0 HA SER A 43 -4.149 7.822 2.388 1.00 32.23 H new ATOM 0 HB2 SER A 43 -4.586 5.734 0.189 1.00 24.43 H new ATOM 0 HB3 SER A 43 -4.275 5.355 1.871 1.00 24.43 H new ATOM 0 HG SER A 43 -6.517 6.822 0.833 1.00 3.34 H new ATOM 720 N ILE A 44 -2.085 6.785 -0.016 1.00 62.34 N ATOM 721 CA ILE A 44 -0.701 6.375 -0.306 1.00 1.34 C ATOM 722 C ILE A 44 0.278 7.574 -0.229 1.00 71.43 C ATOM 723 O ILE A 44 1.407 7.412 0.252 1.00 72.00 O ATOM 724 CB ILE A 44 -0.619 5.611 -1.684 1.00 2.44 C ATOM 725 CG1 ILE A 44 0.822 5.055 -1.961 1.00 31.31 C ATOM 726 CG2 ILE A 44 -1.121 6.493 -2.842 1.00 45.43 C ATOM 727 CD1 ILE A 44 0.964 4.237 -3.242 1.00 11.12 C ATOM 0 H ILE A 44 -2.720 6.676 -0.807 1.00 62.34 H new ATOM 0 HA ILE A 44 -0.385 5.675 0.467 1.00 1.34 H new ATOM 0 HB ILE A 44 -1.282 4.749 -1.616 1.00 2.44 H new ATOM 0 HG12 ILE A 44 1.516 5.894 -2.005 1.00 31.31 H new ATOM 0 HG13 ILE A 44 1.124 4.435 -1.117 1.00 31.31 H new ATOM 0 HG21 ILE A 44 -1.052 5.939 -3.778 1.00 45.43 H new ATOM 0 HG22 ILE A 44 -2.159 6.774 -2.662 1.00 45.43 H new ATOM 0 HG23 ILE A 44 -0.508 7.392 -2.907 1.00 45.43 H new ATOM 0 HD11 ILE A 44 1.995 3.898 -3.345 1.00 11.12 H new ATOM 0 HD12 ILE A 44 0.300 3.374 -3.198 1.00 11.12 H new ATOM 0 HD13 ILE A 44 0.699 4.855 -4.100 1.00 11.12 H new ATOM 739 N GLU A 45 -0.189 8.786 -0.639 1.00 70.03 N ATOM 740 CA GLU A 45 0.578 10.043 -0.457 1.00 24.45 C ATOM 741 C GLU A 45 0.873 10.285 1.036 1.00 12.35 C ATOM 742 O GLU A 45 2.034 10.444 1.411 1.00 55.40 O ATOM 743 CB GLU A 45 -0.173 11.265 -1.053 1.00 31.32 C ATOM 744 CG GLU A 45 -0.155 11.362 -2.593 1.00 55.22 C ATOM 745 CD GLU A 45 1.244 11.652 -3.179 1.00 62.32 C ATOM 746 OE1 GLU A 45 1.616 12.841 -3.294 1.00 20.40 O ATOM 747 OE2 GLU A 45 1.975 10.707 -3.530 1.00 24.24 O ATOM 0 H GLU A 45 -1.092 8.915 -1.096 1.00 70.03 H new ATOM 0 HA GLU A 45 1.519 9.931 -0.995 1.00 24.45 H new ATOM 0 HB2 GLU A 45 -1.210 11.231 -0.719 1.00 31.32 H new ATOM 0 HB3 GLU A 45 0.264 12.175 -0.643 1.00 31.32 H new ATOM 0 HG2 GLU A 45 -0.528 10.427 -3.012 1.00 55.22 H new ATOM 0 HG3 GLU A 45 -0.841 12.149 -2.907 1.00 55.22 H new ATOM 754 N THR A 46 -0.195 10.256 1.874 1.00 34.43 N ATOM 755 CA THR A 46 -0.097 10.496 3.329 1.00 23.14 C ATOM 756 C THR A 46 0.902 9.520 3.999 1.00 1.52 C ATOM 757 O THR A 46 1.700 9.929 4.847 1.00 1.04 O ATOM 758 CB THR A 46 -1.507 10.383 4.024 1.00 71.01 C ATOM 759 OG1 THR A 46 -2.425 11.322 3.441 1.00 21.21 O ATOM 760 CG2 THR A 46 -1.446 10.643 5.543 1.00 3.01 C ATOM 0 H THR A 46 -1.145 10.065 1.556 1.00 34.43 H new ATOM 0 HA THR A 46 0.275 11.512 3.460 1.00 23.14 H new ATOM 0 HB THR A 46 -1.845 9.359 3.866 1.00 71.01 H new ATOM 0 HG1 THR A 46 -2.734 10.983 2.575 1.00 21.21 H new ATOM 0 HG21 THR A 46 -2.446 10.552 5.968 1.00 3.01 H new ATOM 0 HG22 THR A 46 -0.785 9.914 6.011 1.00 3.01 H new ATOM 0 HG23 THR A 46 -1.065 11.648 5.725 1.00 3.01 H new ATOM 768 N VAL A 47 0.873 8.245 3.560 1.00 43.11 N ATOM 769 CA VAL A 47 1.712 7.167 4.131 1.00 35.21 C ATOM 770 C VAL A 47 3.199 7.360 3.764 1.00 73.33 C ATOM 771 O VAL A 47 4.079 7.168 4.610 1.00 70.55 O ATOM 772 CB VAL A 47 1.219 5.751 3.652 1.00 35.40 C ATOM 773 CG1 VAL A 47 2.024 4.601 4.311 1.00 11.13 C ATOM 774 CG2 VAL A 47 -0.294 5.584 3.916 1.00 63.15 C ATOM 0 H VAL A 47 0.268 7.932 2.800 1.00 43.11 H new ATOM 0 HA VAL A 47 1.615 7.221 5.215 1.00 35.21 H new ATOM 0 HB VAL A 47 1.394 5.691 2.578 1.00 35.40 H new ATOM 0 HG11 VAL A 47 1.650 3.642 3.952 1.00 11.13 H new ATOM 0 HG12 VAL A 47 3.078 4.699 4.051 1.00 11.13 H new ATOM 0 HG13 VAL A 47 1.911 4.652 5.394 1.00 11.13 H new ATOM 0 HG21 VAL A 47 -0.616 4.599 3.578 1.00 63.15 H new ATOM 0 HG22 VAL A 47 -0.490 5.683 4.984 1.00 63.15 H new ATOM 0 HG23 VAL A 47 -0.845 6.352 3.373 1.00 63.15 H new ATOM 784 N MET A 48 3.466 7.758 2.499 1.00 75.32 N ATOM 785 CA MET A 48 4.850 7.993 2.011 1.00 24.25 C ATOM 786 C MET A 48 5.463 9.268 2.628 1.00 3.31 C ATOM 787 O MET A 48 6.681 9.343 2.825 1.00 12.13 O ATOM 788 CB MET A 48 4.898 8.062 0.459 1.00 31.31 C ATOM 789 CG MET A 48 4.584 6.729 -0.239 1.00 72.01 C ATOM 790 SD MET A 48 4.740 6.820 -2.038 1.00 62.42 S ATOM 791 CE MET A 48 3.404 7.930 -2.477 1.00 2.34 C ATOM 0 H MET A 48 2.745 7.924 1.797 1.00 75.32 H new ATOM 0 HA MET A 48 5.451 7.143 2.334 1.00 24.25 H new ATOM 0 HB2 MET A 48 4.187 8.815 0.117 1.00 31.31 H new ATOM 0 HB3 MET A 48 5.889 8.396 0.151 1.00 31.31 H new ATOM 0 HG2 MET A 48 5.256 5.959 0.140 1.00 72.01 H new ATOM 0 HG3 MET A 48 3.570 6.421 0.017 1.00 72.01 H new ATOM 0 HE1 MET A 48 2.749 7.443 -3.200 1.00 2.34 H new ATOM 0 HE2 MET A 48 2.833 8.184 -1.584 1.00 2.34 H new ATOM 0 HE3 MET A 48 3.816 8.839 -2.915 1.00 2.34 H new ATOM 801 N GLU A 49 4.607 10.263 2.930 1.00 73.33 N ATOM 802 CA GLU A 49 5.022 11.519 3.599 1.00 42.34 C ATOM 803 C GLU A 49 5.110 11.338 5.125 1.00 23.34 C ATOM 804 O GLU A 49 5.574 12.238 5.833 1.00 1.52 O ATOM 805 CB GLU A 49 4.012 12.650 3.273 1.00 50.32 C ATOM 806 CG GLU A 49 3.869 12.972 1.775 1.00 54.11 C ATOM 807 CD GLU A 49 2.804 14.044 1.480 1.00 63.33 C ATOM 808 OE1 GLU A 49 3.094 15.009 0.739 1.00 23.14 O ATOM 809 OE2 GLU A 49 1.672 13.929 1.999 1.00 71.10 O ATOM 0 H GLU A 49 3.610 10.223 2.719 1.00 73.33 H new ATOM 0 HA GLU A 49 6.011 11.786 3.226 1.00 42.34 H new ATOM 0 HB2 GLU A 49 3.034 12.370 3.665 1.00 50.32 H new ATOM 0 HB3 GLU A 49 4.319 13.555 3.798 1.00 50.32 H new ATOM 0 HG2 GLU A 49 4.831 13.310 1.390 1.00 54.11 H new ATOM 0 HG3 GLU A 49 3.614 12.059 1.237 1.00 54.11 H new ATOM 816 N LYS A 50 4.648 10.179 5.623 1.00 11.23 N ATOM 817 CA LYS A 50 4.586 9.895 7.063 1.00 34.01 C ATOM 818 C LYS A 50 5.887 9.231 7.534 1.00 0.03 C ATOM 819 O LYS A 50 6.453 8.384 6.832 1.00 62.13 O ATOM 820 CB LYS A 50 3.363 8.984 7.377 1.00 51.40 C ATOM 821 CG LYS A 50 2.912 8.984 8.854 1.00 22.42 C ATOM 822 CD LYS A 50 2.466 10.381 9.389 1.00 43.22 C ATOM 823 CE LYS A 50 1.234 10.989 8.667 1.00 72.24 C ATOM 824 NZ LYS A 50 1.535 11.523 7.302 1.00 22.15 N ATOM 0 H LYS A 50 4.308 9.415 5.039 1.00 11.23 H new ATOM 0 HA LYS A 50 4.467 10.835 7.601 1.00 34.01 H new ATOM 0 HB2 LYS A 50 2.524 9.300 6.757 1.00 51.40 H new ATOM 0 HB3 LYS A 50 3.606 7.962 7.087 1.00 51.40 H new ATOM 0 HG2 LYS A 50 2.085 8.283 8.969 1.00 22.42 H new ATOM 0 HG3 LYS A 50 3.731 8.616 9.472 1.00 22.42 H new ATOM 0 HD2 LYS A 50 2.240 10.293 10.452 1.00 43.22 H new ATOM 0 HD3 LYS A 50 3.302 11.074 9.297 1.00 43.22 H new ATOM 0 HE2 LYS A 50 0.460 10.226 8.586 1.00 72.24 H new ATOM 0 HE3 LYS A 50 0.826 11.793 9.279 1.00 72.24 H new ATOM 0 HZ1 LYS A 50 1.018 12.414 7.156 1.00 22.15 H new ATOM 0 HZ2 LYS A 50 2.557 11.697 7.215 1.00 22.15 H new ATOM 0 HZ3 LYS A 50 1.240 10.830 6.585 1.00 22.15 H new ATOM 838 N GLN A 51 6.340 9.643 8.721 1.00 54.33 N ATOM 839 CA GLN A 51 7.500 9.064 9.406 1.00 42.42 C ATOM 840 C GLN A 51 7.174 7.635 9.870 1.00 33.23 C ATOM 841 O GLN A 51 6.047 7.354 10.296 1.00 4.10 O ATOM 842 CB GLN A 51 7.869 9.963 10.619 1.00 52.31 C ATOM 843 CG GLN A 51 9.004 9.437 11.527 1.00 13.42 C ATOM 844 CD GLN A 51 9.311 10.344 12.726 1.00 74.21 C ATOM 845 OE1 GLN A 51 9.685 9.865 13.801 1.00 12.24 O ATOM 846 NE2 GLN A 51 9.210 11.658 12.554 1.00 65.33 N ATOM 0 H GLN A 51 5.903 10.403 9.243 1.00 54.33 H new ATOM 0 HA GLN A 51 8.349 9.015 8.724 1.00 42.42 H new ATOM 0 HB2 GLN A 51 8.155 10.946 10.245 1.00 52.31 H new ATOM 0 HB3 GLN A 51 6.976 10.102 11.229 1.00 52.31 H new ATOM 0 HG2 GLN A 51 8.734 8.446 11.893 1.00 13.42 H new ATOM 0 HG3 GLN A 51 9.909 9.321 10.931 1.00 13.42 H new ATOM 0 HE21 GLN A 51 8.899 12.033 11.658 1.00 65.33 H new ATOM 0 HE22 GLN A 51 9.444 12.292 13.318 1.00 65.33 H new ATOM 855 N THR A 52 8.156 6.736 9.752 1.00 63.40 N ATOM 856 CA THR A 52 8.042 5.364 10.252 1.00 4.54 C ATOM 857 C THR A 52 8.394 5.331 11.758 1.00 51.11 C ATOM 858 O THR A 52 9.440 5.861 12.146 1.00 23.12 O ATOM 859 CB THR A 52 8.993 4.426 9.454 1.00 3.45 C ATOM 860 OG1 THR A 52 8.771 4.609 8.044 1.00 35.34 O ATOM 861 CG2 THR A 52 8.775 2.944 9.821 1.00 44.32 C ATOM 0 H THR A 52 9.051 6.939 9.307 1.00 63.40 H new ATOM 0 HA THR A 52 7.018 5.015 10.119 1.00 4.54 H new ATOM 0 HB THR A 52 10.019 4.687 9.713 1.00 3.45 H new ATOM 0 HG1 THR A 52 7.854 4.346 7.820 1.00 35.34 H new ATOM 0 HG21 THR A 52 9.458 2.322 9.243 1.00 44.32 H new ATOM 0 HG22 THR A 52 8.966 2.801 10.885 1.00 44.32 H new ATOM 0 HG23 THR A 52 7.747 2.661 9.596 1.00 44.32 H new ATOM 869 N PRO A 53 7.516 4.737 12.635 1.00 23.24 N ATOM 870 CA PRO A 53 7.757 4.665 14.103 1.00 11.35 C ATOM 871 C PRO A 53 8.979 3.787 14.489 1.00 2.41 C ATOM 872 O PRO A 53 9.361 2.886 13.730 1.00 11.40 O ATOM 873 CB PRO A 53 6.426 4.069 14.653 1.00 20.14 C ATOM 874 CG PRO A 53 5.432 4.276 13.555 1.00 52.02 C ATOM 875 CD PRO A 53 6.216 4.124 12.283 1.00 0.55 C ATOM 0 HA PRO A 53 8.006 5.641 14.520 1.00 11.35 H new ATOM 0 HB2 PRO A 53 6.536 3.011 14.893 1.00 20.14 H new ATOM 0 HB3 PRO A 53 6.115 4.573 15.568 1.00 20.14 H new ATOM 0 HG2 PRO A 53 4.625 3.545 13.611 1.00 52.02 H new ATOM 0 HG3 PRO A 53 4.973 5.263 13.620 1.00 52.02 H new ATOM 0 HD2 PRO A 53 6.325 3.078 11.995 1.00 0.55 H new ATOM 0 HD3 PRO A 53 5.738 4.636 11.448 1.00 0.55 H new ATOM 883 N PRO A 54 9.610 4.048 15.690 1.00 42.45 N ATOM 884 CA PRO A 54 10.743 3.237 16.206 1.00 73.43 C ATOM 885 C PRO A 54 10.330 1.793 16.556 1.00 54.34 C ATOM 886 O PRO A 54 11.015 0.835 16.175 1.00 34.11 O ATOM 887 CB PRO A 54 11.213 4.020 17.468 1.00 12.24 C ATOM 888 CG PRO A 54 10.020 4.824 17.893 1.00 24.33 C ATOM 889 CD PRO A 54 9.297 5.186 16.611 1.00 65.12 C ATOM 0 HA PRO A 54 11.530 3.116 15.461 1.00 73.43 H new ATOM 0 HB2 PRO A 54 11.532 3.340 18.258 1.00 12.24 H new ATOM 0 HB3 PRO A 54 12.062 4.664 17.239 1.00 12.24 H new ATOM 0 HG2 PRO A 54 9.376 4.249 18.558 1.00 24.33 H new ATOM 0 HG3 PRO A 54 10.323 5.718 18.438 1.00 24.33 H new ATOM 0 HD2 PRO A 54 8.224 5.287 16.772 1.00 65.12 H new ATOM 0 HD3 PRO A 54 9.649 6.135 16.208 1.00 65.12 H new ATOM 897 N GLY A 55 9.212 1.666 17.289 1.00 31.12 N ATOM 898 CA GLY A 55 8.758 0.393 17.838 1.00 1.50 C ATOM 899 C GLY A 55 8.135 -0.538 16.804 1.00 72.20 C ATOM 900 O GLY A 55 6.908 -0.635 16.695 1.00 32.14 O ATOM 0 H GLY A 55 8.600 2.451 17.514 1.00 31.12 H new ATOM 0 HA2 GLY A 55 9.603 -0.112 18.305 1.00 1.50 H new ATOM 0 HA3 GLY A 55 8.028 0.587 18.624 1.00 1.50 H new ATOM 904 N ILE A 56 9.003 -1.205 16.030 1.00 11.22 N ATOM 905 CA ILE A 56 8.621 -2.243 15.061 1.00 45.41 C ATOM 906 C ILE A 56 9.259 -3.574 15.507 1.00 72.14 C ATOM 907 O ILE A 56 10.486 -3.679 15.593 1.00 52.25 O ATOM 908 CB ILE A 56 9.081 -1.861 13.595 1.00 24.55 C ATOM 909 CG1 ILE A 56 8.361 -0.554 13.123 1.00 15.35 C ATOM 910 CG2 ILE A 56 8.836 -3.027 12.595 1.00 24.14 C ATOM 911 CD1 ILE A 56 8.734 -0.102 11.724 1.00 20.54 C ATOM 0 H ILE A 56 10.008 -1.035 16.060 1.00 11.22 H new ATOM 0 HA ILE A 56 7.535 -2.338 15.036 1.00 45.41 H new ATOM 0 HB ILE A 56 10.155 -1.677 13.617 1.00 24.55 H new ATOM 0 HG12 ILE A 56 7.283 -0.712 13.165 1.00 15.35 H new ATOM 0 HG13 ILE A 56 8.593 0.247 13.824 1.00 15.35 H new ATOM 0 HG21 ILE A 56 9.164 -2.728 11.600 1.00 24.14 H new ATOM 0 HG22 ILE A 56 9.399 -3.904 12.914 1.00 24.14 H new ATOM 0 HG23 ILE A 56 7.773 -3.267 12.570 1.00 24.14 H new ATOM 0 HD11 ILE A 56 8.189 0.810 11.479 1.00 20.54 H new ATOM 0 HD12 ILE A 56 9.806 0.092 11.678 1.00 20.54 H new ATOM 0 HD13 ILE A 56 8.475 -0.883 11.008 1.00 20.54 H new ATOM 923 N THR A 57 8.417 -4.566 15.829 1.00 32.33 N ATOM 924 CA THR A 57 8.859 -5.908 16.257 1.00 43.12 C ATOM 925 C THR A 57 8.868 -6.871 15.051 1.00 50.40 C ATOM 926 O THR A 57 8.755 -6.426 13.899 1.00 63.30 O ATOM 927 CB THR A 57 7.905 -6.445 17.373 1.00 75.11 C ATOM 928 OG1 THR A 57 6.583 -6.586 16.837 1.00 43.12 O ATOM 929 CG2 THR A 57 7.868 -5.518 18.606 1.00 4.30 C ATOM 0 H THR A 57 7.403 -4.463 15.801 1.00 32.33 H new ATOM 0 HA THR A 57 9.871 -5.843 16.657 1.00 43.12 H new ATOM 0 HB THR A 57 8.289 -7.411 17.703 1.00 75.11 H new ATOM 0 HG1 THR A 57 5.982 -6.924 17.533 1.00 43.12 H new ATOM 0 HG21 THR A 57 7.192 -5.933 19.353 1.00 4.30 H new ATOM 0 HG22 THR A 57 8.869 -5.435 19.029 1.00 4.30 H new ATOM 0 HG23 THR A 57 7.517 -4.530 18.308 1.00 4.30 H new ATOM 937 N ARG A 58 9.009 -8.188 15.336 1.00 62.52 N ATOM 938 CA ARG A 58 8.942 -9.260 14.330 1.00 12.13 C ATOM 939 C ARG A 58 7.581 -9.231 13.609 1.00 5.20 C ATOM 940 O ARG A 58 7.516 -8.936 12.414 1.00 3.13 O ATOM 941 CB ARG A 58 9.175 -10.644 15.015 1.00 41.41 C ATOM 942 CG ARG A 58 9.046 -11.877 14.079 1.00 72.21 C ATOM 943 CD ARG A 58 10.100 -11.897 12.960 1.00 40.24 C ATOM 944 NE ARG A 58 9.896 -13.021 12.025 1.00 62.53 N ATOM 945 CZ ARG A 58 10.445 -13.113 10.805 1.00 61.25 C ATOM 946 NH1 ARG A 58 11.239 -12.147 10.342 1.00 61.55 N ATOM 947 NH2 ARG A 58 10.182 -14.160 10.036 1.00 32.41 N ATOM 0 H ARG A 58 9.174 -8.533 16.282 1.00 62.52 H new ATOM 0 HA ARG A 58 9.724 -9.102 13.587 1.00 12.13 H new ATOM 0 HB2 ARG A 58 10.170 -10.648 15.459 1.00 41.41 H new ATOM 0 HB3 ARG A 58 8.461 -10.752 15.831 1.00 41.41 H new ATOM 0 HG2 ARG A 58 9.137 -12.787 14.672 1.00 72.21 H new ATOM 0 HG3 ARG A 58 8.051 -11.885 13.633 1.00 72.21 H new ATOM 0 HD2 ARG A 58 10.062 -10.957 12.410 1.00 40.24 H new ATOM 0 HD3 ARG A 58 11.094 -11.968 13.401 1.00 40.24 H new ATOM 0 HE ARG A 58 9.292 -13.785 12.330 1.00 62.53 H new ATOM 0 HH11 ARG A 58 11.434 -11.328 10.917 1.00 61.55 H new ATOM 0 HH12 ARG A 58 11.651 -12.227 9.413 1.00 61.55 H new ATOM 0 HH21 ARG A 58 9.562 -14.897 10.372 1.00 32.41 H new ATOM 0 HH22 ARG A 58 10.600 -14.229 9.108 1.00 32.41 H new ATOM 961 N SER A 59 6.502 -9.477 14.387 1.00 0.13 N ATOM 962 CA SER A 59 5.131 -9.595 13.862 1.00 35.02 C ATOM 963 C SER A 59 4.682 -8.305 13.150 1.00 2.51 C ATOM 964 O SER A 59 4.016 -8.373 12.120 1.00 33.53 O ATOM 965 CB SER A 59 4.164 -9.934 15.007 1.00 14.40 C ATOM 966 OG SER A 59 4.645 -11.028 15.776 1.00 53.42 O ATOM 0 H SER A 59 6.563 -9.599 15.398 1.00 0.13 H new ATOM 0 HA SER A 59 5.119 -10.398 13.125 1.00 35.02 H new ATOM 0 HB2 SER A 59 4.036 -9.063 15.649 1.00 14.40 H new ATOM 0 HB3 SER A 59 3.183 -10.176 14.599 1.00 14.40 H new ATOM 0 HG SER A 59 4.013 -11.223 16.499 1.00 53.42 H new ATOM 972 N ILE A 60 5.086 -7.138 13.713 1.00 72.20 N ATOM 973 CA ILE A 60 4.803 -5.817 13.120 1.00 74.45 C ATOM 974 C ILE A 60 5.458 -5.704 11.732 1.00 41.13 C ATOM 975 O ILE A 60 4.788 -5.343 10.767 1.00 11.15 O ATOM 976 CB ILE A 60 5.281 -4.634 14.056 1.00 75.44 C ATOM 977 CG1 ILE A 60 4.472 -4.629 15.397 1.00 41.34 C ATOM 978 CG2 ILE A 60 5.174 -3.257 13.343 1.00 65.14 C ATOM 979 CD1 ILE A 60 4.961 -3.630 16.439 1.00 74.51 C ATOM 0 H ILE A 60 5.613 -7.092 14.585 1.00 72.20 H new ATOM 0 HA ILE A 60 3.722 -5.730 13.012 1.00 74.45 H new ATOM 0 HB ILE A 60 6.333 -4.802 14.286 1.00 75.44 H new ATOM 0 HG12 ILE A 60 3.427 -4.415 15.173 1.00 41.34 H new ATOM 0 HG13 ILE A 60 4.507 -5.629 15.829 1.00 41.34 H new ATOM 0 HG21 ILE A 60 5.511 -2.471 14.018 1.00 65.14 H new ATOM 0 HG22 ILE A 60 5.798 -3.260 12.449 1.00 65.14 H new ATOM 0 HG23 ILE A 60 4.137 -3.073 13.061 1.00 65.14 H new ATOM 0 HD11 ILE A 60 4.339 -3.701 17.331 1.00 74.51 H new ATOM 0 HD12 ILE A 60 5.996 -3.853 16.699 1.00 74.51 H new ATOM 0 HD13 ILE A 60 4.898 -2.620 16.033 1.00 74.51 H new ATOM 991 N GLN A 61 6.759 -6.065 11.646 1.00 63.41 N ATOM 992 CA GLN A 61 7.538 -5.999 10.390 1.00 11.05 C ATOM 993 C GLN A 61 6.903 -6.874 9.292 1.00 75.34 C ATOM 994 O GLN A 61 6.816 -6.455 8.141 1.00 73.33 O ATOM 995 CB GLN A 61 9.006 -6.437 10.630 1.00 75.11 C ATOM 996 CG GLN A 61 9.948 -6.227 9.419 1.00 61.12 C ATOM 997 CD GLN A 61 11.312 -6.899 9.582 1.00 2.41 C ATOM 998 OE1 GLN A 61 11.436 -7.944 10.219 1.00 53.33 O ATOM 999 NE2 GLN A 61 12.345 -6.319 9.008 1.00 52.31 N ATOM 0 H GLN A 61 7.296 -6.409 12.442 1.00 63.41 H new ATOM 0 HA GLN A 61 7.529 -4.963 10.053 1.00 11.05 H new ATOM 0 HB2 GLN A 61 9.402 -5.884 11.482 1.00 75.11 H new ATOM 0 HB3 GLN A 61 9.016 -7.492 10.903 1.00 75.11 H new ATOM 0 HG2 GLN A 61 9.466 -6.616 8.522 1.00 61.12 H new ATOM 0 HG3 GLN A 61 10.095 -5.158 9.264 1.00 61.12 H new ATOM 0 HE21 GLN A 61 12.218 -5.453 8.485 1.00 52.31 H new ATOM 0 HE22 GLN A 61 13.273 -6.736 9.086 1.00 52.31 H new ATOM 1008 N ASP A 62 6.445 -8.079 9.674 1.00 43.15 N ATOM 1009 CA ASP A 62 5.841 -9.039 8.730 1.00 31.45 C ATOM 1010 C ASP A 62 4.422 -8.621 8.299 1.00 62.14 C ATOM 1011 O ASP A 62 4.029 -8.897 7.167 1.00 4.11 O ATOM 1012 CB ASP A 62 5.828 -10.465 9.333 1.00 52.03 C ATOM 1013 CG ASP A 62 7.241 -11.072 9.470 1.00 63.44 C ATOM 1014 OD1 ASP A 62 7.774 -11.134 10.590 1.00 43.51 O ATOM 1015 OD2 ASP A 62 7.821 -11.488 8.440 1.00 52.15 O ATOM 0 H ASP A 62 6.482 -8.414 10.637 1.00 43.15 H new ATOM 0 HA ASP A 62 6.462 -9.040 7.834 1.00 31.45 H new ATOM 0 HB2 ASP A 62 5.354 -10.435 10.314 1.00 52.03 H new ATOM 0 HB3 ASP A 62 5.218 -11.114 8.705 1.00 52.03 H new ATOM 1020 N MET A 63 3.650 -7.963 9.194 1.00 32.43 N ATOM 1021 CA MET A 63 2.290 -7.470 8.852 1.00 3.53 C ATOM 1022 C MET A 63 2.379 -6.271 7.893 1.00 53.22 C ATOM 1023 O MET A 63 1.636 -6.202 6.904 1.00 65.41 O ATOM 1024 CB MET A 63 1.476 -7.088 10.121 1.00 70.34 C ATOM 1025 CG MET A 63 1.045 -8.271 11.002 1.00 74.21 C ATOM 1026 SD MET A 63 0.019 -7.745 12.402 1.00 22.15 S ATOM 1027 CE MET A 63 1.095 -6.596 13.272 1.00 65.23 C ATOM 0 H MET A 63 3.940 -7.761 10.151 1.00 32.43 H new ATOM 0 HA MET A 63 1.762 -8.285 8.356 1.00 3.53 H new ATOM 0 HB2 MET A 63 2.074 -6.405 10.725 1.00 70.34 H new ATOM 0 HB3 MET A 63 0.585 -6.543 9.811 1.00 70.34 H new ATOM 0 HG2 MET A 63 0.491 -8.989 10.397 1.00 74.21 H new ATOM 0 HG3 MET A 63 1.931 -8.785 11.376 1.00 74.21 H new ATOM 0 HE1 MET A 63 0.565 -6.179 14.129 1.00 65.23 H new ATOM 0 HE2 MET A 63 1.986 -7.121 13.616 1.00 65.23 H new ATOM 0 HE3 MET A 63 1.387 -5.790 12.599 1.00 65.23 H new ATOM 1037 N VAL A 64 3.317 -5.350 8.196 1.00 2.12 N ATOM 1038 CA VAL A 64 3.586 -4.164 7.375 1.00 73.42 C ATOM 1039 C VAL A 64 4.101 -4.604 5.992 1.00 3.43 C ATOM 1040 O VAL A 64 3.418 -4.379 5.004 1.00 4.43 O ATOM 1041 CB VAL A 64 4.603 -3.184 8.092 1.00 71.35 C ATOM 1042 CG1 VAL A 64 5.042 -2.023 7.173 1.00 42.33 C ATOM 1043 CG2 VAL A 64 4.002 -2.623 9.407 1.00 43.42 C ATOM 0 H VAL A 64 3.910 -5.414 9.024 1.00 2.12 H new ATOM 0 HA VAL A 64 2.658 -3.608 7.241 1.00 73.42 H new ATOM 0 HB VAL A 64 5.489 -3.772 8.330 1.00 71.35 H new ATOM 0 HG11 VAL A 64 5.739 -1.378 7.709 1.00 42.33 H new ATOM 0 HG12 VAL A 64 5.530 -2.426 6.285 1.00 42.33 H new ATOM 0 HG13 VAL A 64 4.168 -1.444 6.875 1.00 42.33 H new ATOM 0 HG21 VAL A 64 4.721 -1.953 9.879 1.00 43.42 H new ATOM 0 HG22 VAL A 64 3.087 -2.074 9.184 1.00 43.42 H new ATOM 0 HG23 VAL A 64 3.775 -3.447 10.084 1.00 43.42 H new ATOM 1053 N ALA A 65 5.262 -5.305 5.957 1.00 5.02 N ATOM 1054 CA ALA A 65 5.892 -5.782 4.700 1.00 25.11 C ATOM 1055 C ALA A 65 5.014 -6.793 3.952 1.00 21.22 C ATOM 1056 O ALA A 65 5.135 -6.929 2.739 1.00 20.24 O ATOM 1057 CB ALA A 65 7.272 -6.400 4.972 1.00 31.31 C ATOM 0 H ALA A 65 5.786 -5.555 6.796 1.00 5.02 H new ATOM 0 HA ALA A 65 6.009 -4.904 4.064 1.00 25.11 H new ATOM 0 HB1 ALA A 65 7.710 -6.741 4.034 1.00 31.31 H new ATOM 0 HB2 ALA A 65 7.923 -5.652 5.425 1.00 31.31 H new ATOM 0 HB3 ALA A 65 7.164 -7.246 5.650 1.00 31.31 H new ATOM 1063 N GLY A 66 4.154 -7.509 4.695 1.00 40.43 N ATOM 1064 CA GLY A 66 3.184 -8.424 4.097 1.00 4.42 C ATOM 1065 C GLY A 66 2.148 -7.681 3.279 1.00 21.31 C ATOM 1066 O GLY A 66 1.869 -8.044 2.134 1.00 40.21 O ATOM 0 H GLY A 66 4.116 -7.467 5.713 1.00 40.43 H new ATOM 0 HA2 GLY A 66 3.703 -9.142 3.462 1.00 4.42 H new ATOM 0 HA3 GLY A 66 2.688 -8.994 4.883 1.00 4.42 H new ATOM 1070 N TYR A 67 1.610 -6.603 3.868 1.00 43.24 N ATOM 1071 CA TYR A 67 0.622 -5.741 3.208 1.00 31.11 C ATOM 1072 C TYR A 67 1.270 -4.797 2.185 1.00 12.21 C ATOM 1073 O TYR A 67 0.584 -4.368 1.255 1.00 64.55 O ATOM 1074 CB TYR A 67 -0.217 -4.969 4.262 1.00 42.10 C ATOM 1075 CG TYR A 67 -1.286 -5.828 4.981 1.00 44.42 C ATOM 1076 CD1 TYR A 67 -1.642 -7.116 4.534 1.00 55.24 C ATOM 1077 CD2 TYR A 67 -1.960 -5.338 6.092 1.00 40.13 C ATOM 1078 CE1 TYR A 67 -2.615 -7.856 5.174 1.00 24.12 C ATOM 1079 CE2 TYR A 67 -2.933 -6.085 6.728 1.00 51.42 C ATOM 1080 CZ TYR A 67 -3.255 -7.336 6.268 1.00 62.13 C ATOM 1081 OH TYR A 67 -4.220 -8.080 6.913 1.00 65.24 O ATOM 0 H TYR A 67 1.848 -6.306 4.814 1.00 43.24 H new ATOM 0 HA TYR A 67 -0.055 -6.382 2.644 1.00 31.11 H new ATOM 0 HB2 TYR A 67 0.457 -4.549 5.009 1.00 42.10 H new ATOM 0 HB3 TYR A 67 -0.712 -4.130 3.772 1.00 42.10 H new ATOM 0 HD1 TYR A 67 -1.143 -7.533 3.672 1.00 55.24 H new ATOM 0 HD2 TYR A 67 -1.719 -4.354 6.466 1.00 40.13 H new ATOM 0 HE1 TYR A 67 -2.871 -8.841 4.814 1.00 24.12 H new ATOM 0 HE2 TYR A 67 -3.442 -5.682 7.591 1.00 51.42 H new ATOM 0 HH TYR A 67 -4.576 -7.569 7.669 1.00 65.24 H new ATOM 1091 N ILE A 68 2.592 -4.503 2.335 1.00 11.32 N ATOM 1092 CA ILE A 68 3.344 -3.743 1.322 1.00 72.23 C ATOM 1093 C ILE A 68 3.484 -4.623 0.076 1.00 53.24 C ATOM 1094 O ILE A 68 3.060 -4.220 -0.984 1.00 73.24 O ATOM 1095 CB ILE A 68 4.771 -3.230 1.784 1.00 54.25 C ATOM 1096 CG1 ILE A 68 4.668 -2.292 3.025 1.00 4.42 C ATOM 1097 CG2 ILE A 68 5.494 -2.490 0.620 1.00 61.43 C ATOM 1098 CD1 ILE A 68 5.990 -1.693 3.493 1.00 72.32 C ATOM 0 H ILE A 68 3.146 -4.783 3.144 1.00 11.32 H new ATOM 0 HA ILE A 68 2.774 -2.835 1.126 1.00 72.23 H new ATOM 0 HB ILE A 68 5.355 -4.106 2.066 1.00 54.25 H new ATOM 0 HG12 ILE A 68 3.981 -1.479 2.791 1.00 4.42 H new ATOM 0 HG13 ILE A 68 4.229 -2.853 3.850 1.00 4.42 H new ATOM 0 HG21 ILE A 68 6.471 -2.146 0.959 1.00 61.43 H new ATOM 0 HG22 ILE A 68 5.621 -3.171 -0.221 1.00 61.43 H new ATOM 0 HG23 ILE A 68 4.897 -1.634 0.307 1.00 61.43 H new ATOM 0 HD11 ILE A 68 5.814 -1.056 4.360 1.00 72.32 H new ATOM 0 HD12 ILE A 68 6.677 -2.495 3.765 1.00 72.32 H new ATOM 0 HD13 ILE A 68 6.425 -1.099 2.689 1.00 72.32 H new ATOM 1110 N LYS A 69 4.013 -5.864 0.251 1.00 52.12 N ATOM 1111 CA LYS A 69 4.177 -6.852 -0.848 1.00 52.45 C ATOM 1112 C LYS A 69 2.846 -7.089 -1.577 1.00 75.43 C ATOM 1113 O LYS A 69 2.801 -7.052 -2.811 1.00 21.23 O ATOM 1114 CB LYS A 69 4.736 -8.198 -0.300 1.00 62.24 C ATOM 1115 CG LYS A 69 4.785 -9.366 -1.320 1.00 71.24 C ATOM 1116 CD LYS A 69 5.602 -9.057 -2.604 1.00 63.31 C ATOM 1117 CE LYS A 69 5.566 -10.224 -3.606 1.00 14.45 C ATOM 1118 NZ LYS A 69 6.134 -9.845 -4.925 1.00 14.11 N ATOM 0 H LYS A 69 4.337 -6.206 1.156 1.00 52.12 H new ATOM 0 HA LYS A 69 4.892 -6.442 -1.561 1.00 52.45 H new ATOM 0 HB2 LYS A 69 5.744 -8.026 0.077 1.00 62.24 H new ATOM 0 HB3 LYS A 69 4.126 -8.506 0.549 1.00 62.24 H new ATOM 0 HG2 LYS A 69 5.214 -10.242 -0.832 1.00 71.24 H new ATOM 0 HG3 LYS A 69 3.766 -9.627 -1.605 1.00 71.24 H new ATOM 0 HD2 LYS A 69 5.205 -8.160 -3.079 1.00 63.31 H new ATOM 0 HD3 LYS A 69 6.636 -8.844 -2.333 1.00 63.31 H new ATOM 0 HE2 LYS A 69 6.125 -11.067 -3.200 1.00 14.45 H new ATOM 0 HE3 LYS A 69 4.536 -10.557 -3.737 1.00 14.45 H new ATOM 0 HZ1 LYS A 69 6.543 -10.685 -5.381 1.00 14.11 H new ATOM 0 HZ2 LYS A 69 5.382 -9.455 -5.528 1.00 14.11 H new ATOM 0 HZ3 LYS A 69 6.876 -9.129 -4.791 1.00 14.11 H new ATOM 1132 N GLN A 70 1.776 -7.280 -0.785 1.00 63.51 N ATOM 1133 CA GLN A 70 0.422 -7.511 -1.301 1.00 5.11 C ATOM 1134 C GLN A 70 -0.006 -6.338 -2.197 1.00 43.45 C ATOM 1135 O GLN A 70 -0.398 -6.544 -3.350 1.00 12.23 O ATOM 1136 CB GLN A 70 -0.581 -7.692 -0.133 1.00 52.34 C ATOM 1137 CG GLN A 70 -2.009 -8.071 -0.583 1.00 13.41 C ATOM 1138 CD GLN A 70 -3.005 -8.229 0.568 1.00 62.10 C ATOM 1139 OE1 GLN A 70 -2.916 -7.558 1.590 1.00 12.13 O ATOM 1140 NE2 GLN A 70 -3.953 -9.138 0.413 1.00 72.35 N ATOM 0 H GLN A 70 1.830 -7.278 0.234 1.00 63.51 H new ATOM 0 HA GLN A 70 0.425 -8.425 -1.895 1.00 5.11 H new ATOM 0 HB2 GLN A 70 -0.206 -8.465 0.538 1.00 52.34 H new ATOM 0 HB3 GLN A 70 -0.626 -6.766 0.440 1.00 52.34 H new ATOM 0 HG2 GLN A 70 -2.378 -7.306 -1.266 1.00 13.41 H new ATOM 0 HG3 GLN A 70 -1.966 -9.005 -1.143 1.00 13.41 H new ATOM 0 HE21 GLN A 70 -4.002 -9.682 -0.449 1.00 72.35 H new ATOM 0 HE22 GLN A 70 -4.635 -9.295 1.155 1.00 72.35 H new ATOM 1149 N THR A 71 0.156 -5.099 -1.673 1.00 24.42 N ATOM 1150 CA THR A 71 -0.232 -3.892 -2.403 1.00 13.44 C ATOM 1151 C THR A 71 0.753 -3.575 -3.536 1.00 71.30 C ATOM 1152 O THR A 71 0.387 -2.857 -4.434 1.00 33.13 O ATOM 1153 CB THR A 71 -0.470 -2.637 -1.489 1.00 20.40 C ATOM 1154 OG1 THR A 71 -1.104 -1.598 -2.246 1.00 53.02 O ATOM 1155 CG2 THR A 71 0.784 -2.052 -0.845 1.00 5.02 C ATOM 0 H THR A 71 0.552 -4.921 -0.750 1.00 24.42 H new ATOM 0 HA THR A 71 -1.202 -4.124 -2.843 1.00 13.44 H new ATOM 0 HB THR A 71 -1.097 -3.002 -0.676 1.00 20.40 H new ATOM 0 HG1 THR A 71 -0.922 -1.730 -3.200 1.00 53.02 H new ATOM 0 HG21 THR A 71 0.512 -1.191 -0.235 1.00 5.02 H new ATOM 0 HG22 THR A 71 1.256 -2.807 -0.216 1.00 5.02 H new ATOM 0 HG23 THR A 71 1.481 -1.740 -1.623 1.00 5.02 H new ATOM 1163 N LEU A 72 2.004 -4.111 -3.482 1.00 73.22 N ATOM 1164 CA LEU A 72 2.987 -3.939 -4.580 1.00 43.35 C ATOM 1165 C LEU A 72 2.540 -4.744 -5.790 1.00 2.21 C ATOM 1166 O LEU A 72 2.693 -4.301 -6.922 1.00 45.43 O ATOM 1167 CB LEU A 72 4.445 -4.377 -4.201 1.00 31.41 C ATOM 1168 CG LEU A 72 5.164 -3.565 -3.081 1.00 45.03 C ATOM 1169 CD1 LEU A 72 6.689 -3.829 -3.044 1.00 35.42 C ATOM 1170 CD2 LEU A 72 4.844 -2.067 -3.194 1.00 12.43 C ATOM 0 H LEU A 72 2.350 -4.661 -2.695 1.00 73.22 H new ATOM 0 HA LEU A 72 3.018 -2.871 -4.795 1.00 43.35 H new ATOM 0 HB2 LEU A 72 4.415 -5.422 -3.894 1.00 31.41 H new ATOM 0 HB3 LEU A 72 5.058 -4.327 -5.101 1.00 31.41 H new ATOM 0 HG LEU A 72 4.772 -3.918 -2.127 1.00 45.03 H new ATOM 0 HD11 LEU A 72 7.141 -3.239 -2.247 1.00 35.42 H new ATOM 0 HD12 LEU A 72 6.871 -4.888 -2.860 1.00 35.42 H new ATOM 0 HD13 LEU A 72 7.131 -3.546 -4.000 1.00 35.42 H new ATOM 0 HD21 LEU A 72 5.358 -1.524 -2.401 1.00 12.43 H new ATOM 0 HD22 LEU A 72 5.178 -1.696 -4.163 1.00 12.43 H new ATOM 0 HD23 LEU A 72 3.769 -1.916 -3.098 1.00 12.43 H new ATOM 1182 N ASP A 73 2.022 -5.953 -5.523 1.00 21.34 N ATOM 1183 CA ASP A 73 1.520 -6.846 -6.567 1.00 61.52 C ATOM 1184 C ASP A 73 0.274 -6.238 -7.214 1.00 54.14 C ATOM 1185 O ASP A 73 0.239 -6.047 -8.425 1.00 1.45 O ATOM 1186 CB ASP A 73 1.222 -8.258 -6.003 1.00 62.23 C ATOM 1187 CG ASP A 73 2.466 -8.956 -5.424 1.00 25.31 C ATOM 1188 OD1 ASP A 73 2.367 -9.586 -4.352 1.00 14.12 O ATOM 1189 OD2 ASP A 73 3.549 -8.886 -6.049 1.00 2.24 O ATOM 0 H ASP A 73 1.942 -6.333 -4.580 1.00 21.34 H new ATOM 0 HA ASP A 73 2.292 -6.958 -7.329 1.00 61.52 H new ATOM 0 HB2 ASP A 73 0.463 -8.178 -5.225 1.00 62.23 H new ATOM 0 HB3 ASP A 73 0.802 -8.877 -6.796 1.00 62.23 H new ATOM 1194 N ASN A 74 -0.705 -5.867 -6.368 1.00 70.41 N ATOM 1195 CA ASN A 74 -1.986 -5.271 -6.807 1.00 64.21 C ATOM 1196 C ASN A 74 -1.744 -3.978 -7.619 1.00 40.53 C ATOM 1197 O ASN A 74 -2.234 -3.842 -8.756 1.00 12.31 O ATOM 1198 CB ASN A 74 -2.890 -4.975 -5.578 1.00 73.24 C ATOM 1199 CG ASN A 74 -3.141 -6.185 -4.670 1.00 51.33 C ATOM 1200 OD1 ASN A 74 -3.151 -7.337 -5.110 1.00 53.32 O ATOM 1201 ND2 ASN A 74 -3.351 -5.928 -3.384 1.00 65.30 N ATOM 0 H ASN A 74 -0.632 -5.972 -5.356 1.00 70.41 H new ATOM 0 HA ASN A 74 -2.492 -5.988 -7.453 1.00 64.21 H new ATOM 0 HB2 ASN A 74 -2.431 -4.182 -4.987 1.00 73.24 H new ATOM 0 HB3 ASN A 74 -3.849 -4.596 -5.931 1.00 73.24 H new ATOM 0 HD21 ASN A 74 -3.526 -6.693 -2.733 1.00 65.30 H new ATOM 0 HD22 ASN A 74 -3.337 -4.965 -3.047 1.00 65.30 H new ATOM 1208 N GLU A 75 -0.924 -3.082 -7.034 1.00 4.13 N ATOM 1209 CA GLU A 75 -0.551 -1.788 -7.632 1.00 35.01 C ATOM 1210 C GLU A 75 0.101 -1.997 -9.007 1.00 11.25 C ATOM 1211 O GLU A 75 -0.448 -1.567 -10.011 1.00 53.02 O ATOM 1212 CB GLU A 75 0.446 -1.029 -6.713 1.00 72.32 C ATOM 1213 CG GLU A 75 0.807 0.414 -7.147 1.00 40.03 C ATOM 1214 CD GLU A 75 -0.271 1.466 -6.812 1.00 53.55 C ATOM 1215 OE1 GLU A 75 -0.045 2.292 -5.900 1.00 41.21 O ATOM 1216 OE2 GLU A 75 -1.350 1.465 -7.445 1.00 63.34 O ATOM 0 H GLU A 75 -0.498 -3.241 -6.121 1.00 4.13 H new ATOM 0 HA GLU A 75 -1.461 -1.199 -7.746 1.00 35.01 H new ATOM 0 HB2 GLU A 75 0.026 -0.990 -5.708 1.00 72.32 H new ATOM 0 HB3 GLU A 75 1.366 -1.610 -6.651 1.00 72.32 H new ATOM 0 HG2 GLU A 75 1.742 0.703 -6.666 1.00 40.03 H new ATOM 0 HG3 GLU A 75 0.986 0.424 -8.222 1.00 40.03 H new ATOM 1223 N GLN A 76 1.237 -2.738 -9.024 1.00 63.20 N ATOM 1224 CA GLN A 76 2.102 -2.898 -10.213 1.00 71.21 C ATOM 1225 C GLN A 76 1.348 -3.565 -11.379 1.00 2.13 C ATOM 1226 O GLN A 76 1.563 -3.200 -12.546 1.00 55.25 O ATOM 1227 CB GLN A 76 3.362 -3.717 -9.840 1.00 55.21 C ATOM 1228 CG GLN A 76 4.437 -3.816 -10.938 1.00 42.53 C ATOM 1229 CD GLN A 76 5.591 -4.766 -10.595 1.00 13.33 C ATOM 1230 OE1 GLN A 76 6.732 -4.539 -10.990 1.00 31.32 O ATOM 1231 NE2 GLN A 76 5.311 -5.859 -9.894 1.00 53.24 N ATOM 0 H GLN A 76 1.578 -3.243 -8.206 1.00 63.20 H new ATOM 0 HA GLN A 76 2.405 -1.906 -10.548 1.00 71.21 H new ATOM 0 HB2 GLN A 76 3.813 -3.273 -8.953 1.00 55.21 H new ATOM 0 HB3 GLN A 76 3.051 -4.726 -9.568 1.00 55.21 H new ATOM 0 HG2 GLN A 76 3.967 -4.150 -11.863 1.00 42.53 H new ATOM 0 HG3 GLN A 76 4.842 -2.822 -11.127 1.00 42.53 H new ATOM 0 HE21 GLN A 76 4.357 -6.030 -9.575 1.00 53.24 H new ATOM 0 HE22 GLN A 76 6.050 -6.527 -9.675 1.00 53.24 H new ATOM 1240 N LEU A 77 0.441 -4.515 -11.039 1.00 43.02 N ATOM 1241 CA LEU A 77 -0.461 -5.151 -12.016 1.00 74.14 C ATOM 1242 C LEU A 77 -1.346 -4.079 -12.667 1.00 41.11 C ATOM 1243 O LEU A 77 -1.374 -3.982 -13.885 1.00 34.54 O ATOM 1244 CB LEU A 77 -1.342 -6.258 -11.364 1.00 60.23 C ATOM 1245 CG LEU A 77 -0.614 -7.577 -10.941 1.00 3.14 C ATOM 1246 CD1 LEU A 77 -1.594 -8.584 -10.294 1.00 53.23 C ATOM 1247 CD2 LEU A 77 0.132 -8.209 -12.130 1.00 71.03 C ATOM 0 H LEU A 77 0.319 -4.856 -10.085 1.00 43.02 H new ATOM 0 HA LEU A 77 0.152 -5.636 -12.776 1.00 74.14 H new ATOM 0 HB2 LEU A 77 -1.821 -5.835 -10.481 1.00 60.23 H new ATOM 0 HB3 LEU A 77 -2.136 -6.517 -12.064 1.00 60.23 H new ATOM 0 HG LEU A 77 0.128 -7.313 -10.187 1.00 3.14 H new ATOM 0 HD11 LEU A 77 -1.054 -9.488 -10.013 1.00 53.23 H new ATOM 0 HD12 LEU A 77 -2.041 -8.137 -9.406 1.00 53.23 H new ATOM 0 HD13 LEU A 77 -2.379 -8.837 -11.007 1.00 53.23 H new ATOM 0 HD21 LEU A 77 0.627 -9.124 -11.804 1.00 71.03 H new ATOM 0 HD22 LEU A 77 -0.579 -8.444 -12.922 1.00 71.03 H new ATOM 0 HD23 LEU A 77 0.876 -7.508 -12.507 1.00 71.03 H new ATOM 1259 N LEU A 78 -2.009 -3.241 -11.827 1.00 74.24 N ATOM 1260 CA LEU A 78 -2.868 -2.126 -12.297 1.00 60.53 C ATOM 1261 C LEU A 78 -2.096 -1.114 -13.164 1.00 71.25 C ATOM 1262 O LEU A 78 -2.618 -0.648 -14.187 1.00 1.50 O ATOM 1263 CB LEU A 78 -3.547 -1.405 -11.095 1.00 33.54 C ATOM 1264 CG LEU A 78 -4.635 -2.235 -10.352 1.00 43.33 C ATOM 1265 CD1 LEU A 78 -5.225 -1.454 -9.162 1.00 44.12 C ATOM 1266 CD2 LEU A 78 -5.738 -2.679 -11.332 1.00 53.33 C ATOM 0 H LEU A 78 -1.962 -3.320 -10.811 1.00 74.24 H new ATOM 0 HA LEU A 78 -3.640 -2.568 -12.927 1.00 60.53 H new ATOM 0 HB2 LEU A 78 -2.776 -1.123 -10.378 1.00 33.54 H new ATOM 0 HB3 LEU A 78 -4.000 -0.481 -11.455 1.00 33.54 H new ATOM 0 HG LEU A 78 -4.160 -3.128 -9.947 1.00 43.33 H new ATOM 0 HD11 LEU A 78 -5.981 -2.063 -8.666 1.00 44.12 H new ATOM 0 HD12 LEU A 78 -4.431 -1.214 -8.455 1.00 44.12 H new ATOM 0 HD13 LEU A 78 -5.681 -0.532 -9.522 1.00 44.12 H new ATOM 0 HD21 LEU A 78 -6.490 -3.258 -10.796 1.00 53.33 H new ATOM 0 HD22 LEU A 78 -6.205 -1.800 -11.776 1.00 53.33 H new ATOM 0 HD23 LEU A 78 -5.300 -3.294 -12.119 1.00 53.33 H new ATOM 1278 N LYS A 79 -0.839 -0.820 -12.775 1.00 23.51 N ATOM 1279 CA LYS A 79 0.002 0.161 -13.484 1.00 42.54 C ATOM 1280 C LYS A 79 0.317 -0.357 -14.906 1.00 62.23 C ATOM 1281 O LYS A 79 0.280 0.395 -15.876 1.00 23.54 O ATOM 1282 CB LYS A 79 1.330 0.467 -12.710 1.00 70.24 C ATOM 1283 CG LYS A 79 1.250 0.758 -11.173 1.00 20.15 C ATOM 1284 CD LYS A 79 0.379 1.971 -10.703 1.00 12.12 C ATOM 1285 CE LYS A 79 -1.149 1.701 -10.691 1.00 32.31 C ATOM 1286 NZ LYS A 79 -1.901 2.745 -9.942 1.00 62.51 N ATOM 0 H LYS A 79 -0.384 -1.251 -11.970 1.00 23.51 H new ATOM 0 HA LYS A 79 -0.555 1.095 -13.548 1.00 42.54 H new ATOM 0 HB2 LYS A 79 1.999 -0.381 -12.852 1.00 70.24 H new ATOM 0 HB3 LYS A 79 1.800 1.327 -13.186 1.00 70.24 H new ATOM 0 HG2 LYS A 79 0.869 -0.138 -10.682 1.00 20.15 H new ATOM 0 HG3 LYS A 79 2.265 0.914 -10.809 1.00 20.15 H new ATOM 0 HD2 LYS A 79 0.692 2.259 -9.699 1.00 12.12 H new ATOM 0 HD3 LYS A 79 0.580 2.821 -11.356 1.00 12.12 H new ATOM 0 HE2 LYS A 79 -1.516 1.657 -11.716 1.00 32.31 H new ATOM 0 HE3 LYS A 79 -1.340 0.726 -10.242 1.00 32.31 H new ATOM 0 HZ1 LYS A 79 -2.184 2.370 -9.014 1.00 62.51 H new ATOM 0 HZ2 LYS A 79 -1.296 3.580 -9.808 1.00 62.51 H new ATOM 0 HZ3 LYS A 79 -2.749 3.015 -10.480 1.00 62.51 H new ATOM 1300 N GLY A 80 0.584 -1.676 -14.994 1.00 53.13 N ATOM 1301 CA GLY A 80 0.826 -2.354 -16.274 1.00 61.22 C ATOM 1302 C GLY A 80 -0.453 -2.810 -16.976 1.00 34.01 C ATOM 1303 O GLY A 80 -0.398 -3.273 -18.112 1.00 43.33 O ATOM 0 H GLY A 80 0.637 -2.293 -14.184 1.00 53.13 H new ATOM 0 HA2 GLY A 80 1.373 -1.681 -16.934 1.00 61.22 H new ATOM 0 HA3 GLY A 80 1.465 -3.220 -16.102 1.00 61.22 H new ATOM 1307 N LEU A 81 -1.597 -2.713 -16.283 1.00 23.31 N ATOM 1308 CA LEU A 81 -2.914 -3.089 -16.841 1.00 50.32 C ATOM 1309 C LEU A 81 -3.466 -1.928 -17.695 1.00 71.42 C ATOM 1310 O LEU A 81 -4.006 -2.162 -18.780 1.00 72.55 O ATOM 1311 CB LEU A 81 -3.895 -3.472 -15.671 1.00 63.40 C ATOM 1312 CG LEU A 81 -5.025 -4.525 -15.962 1.00 4.14 C ATOM 1313 CD1 LEU A 81 -5.729 -4.955 -14.652 1.00 60.25 C ATOM 1314 CD2 LEU A 81 -6.054 -4.014 -16.992 1.00 44.12 C ATOM 0 H LEU A 81 -1.641 -2.373 -15.322 1.00 23.31 H new ATOM 0 HA LEU A 81 -2.811 -3.960 -17.488 1.00 50.32 H new ATOM 0 HB2 LEU A 81 -3.294 -3.849 -14.843 1.00 63.40 H new ATOM 0 HB3 LEU A 81 -4.375 -2.556 -15.326 1.00 63.40 H new ATOM 0 HG LEU A 81 -4.540 -5.397 -16.401 1.00 4.14 H new ATOM 0 HD11 LEU A 81 -6.507 -5.684 -14.879 1.00 60.25 H new ATOM 0 HD12 LEU A 81 -4.999 -5.402 -13.977 1.00 60.25 H new ATOM 0 HD13 LEU A 81 -6.177 -4.083 -14.176 1.00 60.25 H new ATOM 0 HD21 LEU A 81 -6.813 -4.778 -17.158 1.00 44.12 H new ATOM 0 HD22 LEU A 81 -6.528 -3.108 -16.614 1.00 44.12 H new ATOM 0 HD23 LEU A 81 -5.549 -3.794 -17.933 1.00 44.12 H new ATOM 1326 N LEU A 82 -3.307 -0.683 -17.191 1.00 63.44 N ATOM 1327 CA LEU A 82 -3.893 0.523 -17.822 1.00 53.23 C ATOM 1328 C LEU A 82 -3.428 0.716 -19.292 1.00 2.25 C ATOM 1329 O LEU A 82 -4.253 0.663 -20.214 1.00 64.22 O ATOM 1330 CB LEU A 82 -3.582 1.780 -16.962 1.00 4.10 C ATOM 1331 CG LEU A 82 -4.208 1.784 -15.525 1.00 20.13 C ATOM 1332 CD1 LEU A 82 -3.771 3.025 -14.719 1.00 70.23 C ATOM 1333 CD2 LEU A 82 -5.751 1.661 -15.574 1.00 22.53 C ATOM 0 H LEU A 82 -2.774 -0.486 -16.344 1.00 63.44 H new ATOM 0 HA LEU A 82 -4.973 0.379 -17.862 1.00 53.23 H new ATOM 0 HB2 LEU A 82 -2.500 1.877 -16.869 1.00 4.10 H new ATOM 0 HB3 LEU A 82 -3.936 2.662 -17.496 1.00 4.10 H new ATOM 0 HG LEU A 82 -3.826 0.905 -15.006 1.00 20.13 H new ATOM 0 HD11 LEU A 82 -4.224 2.994 -13.728 1.00 70.23 H new ATOM 0 HD12 LEU A 82 -2.685 3.032 -14.621 1.00 70.23 H new ATOM 0 HD13 LEU A 82 -4.094 3.928 -15.237 1.00 70.23 H new ATOM 0 HD21 LEU A 82 -6.149 1.667 -14.559 1.00 22.53 H new ATOM 0 HD22 LEU A 82 -6.165 2.501 -16.131 1.00 22.53 H new ATOM 0 HD23 LEU A 82 -6.026 0.728 -16.066 1.00 22.53 H new ATOM 1345 N GLN A 83 -2.108 0.930 -19.511 1.00 1.22 N ATOM 1346 CA GLN A 83 -1.540 1.138 -20.879 1.00 63.42 C ATOM 1347 C GLN A 83 -0.239 0.320 -21.070 1.00 72.20 C ATOM 1348 O GLN A 83 0.652 0.726 -21.835 1.00 21.33 O ATOM 1349 CB GLN A 83 -1.266 2.652 -21.143 1.00 34.32 C ATOM 1350 CG GLN A 83 -2.475 3.589 -20.996 1.00 2.43 C ATOM 1351 CD GLN A 83 -2.090 5.064 -21.094 1.00 74.45 C ATOM 1352 OE1 GLN A 83 -2.095 5.656 -22.174 1.00 65.34 O ATOM 1353 NE2 GLN A 83 -1.724 5.664 -19.972 1.00 14.14 N ATOM 0 H GLN A 83 -1.413 0.964 -18.765 1.00 1.22 H new ATOM 0 HA GLN A 83 -2.278 0.787 -21.601 1.00 63.42 H new ATOM 0 HB2 GLN A 83 -0.487 2.985 -20.457 1.00 34.32 H new ATOM 0 HB3 GLN A 83 -0.869 2.759 -22.152 1.00 34.32 H new ATOM 0 HG2 GLN A 83 -3.207 3.356 -21.770 1.00 2.43 H new ATOM 0 HG3 GLN A 83 -2.957 3.406 -20.036 1.00 2.43 H new ATOM 0 HE21 GLN A 83 -1.730 5.148 -19.092 1.00 14.14 H new ATOM 0 HE22 GLN A 83 -1.436 6.642 -19.987 1.00 14.14 H new ATOM 1362 N GLN A 84 -0.149 -0.830 -20.369 1.00 12.33 N ATOM 1363 CA GLN A 84 0.907 -1.863 -20.579 1.00 31.44 C ATOM 1364 C GLN A 84 2.314 -1.407 -20.085 1.00 51.35 C ATOM 1365 O GLN A 84 3.337 -2.024 -20.418 1.00 11.34 O ATOM 1366 CB GLN A 84 0.907 -2.314 -22.088 1.00 2.52 C ATOM 1367 CG GLN A 84 1.660 -3.621 -22.422 1.00 0.01 C ATOM 1368 CD GLN A 84 1.181 -4.811 -21.595 1.00 72.14 C ATOM 1369 OE1 GLN A 84 1.727 -5.107 -20.531 1.00 61.12 O ATOM 1370 NE2 GLN A 84 0.134 -5.487 -22.055 1.00 74.51 N ATOM 0 H GLN A 84 -0.810 -1.077 -19.633 1.00 12.33 H new ATOM 0 HA GLN A 84 0.666 -2.727 -19.960 1.00 31.44 H new ATOM 0 HB2 GLN A 84 -0.128 -2.426 -22.409 1.00 2.52 H new ATOM 0 HB3 GLN A 84 1.340 -1.510 -22.683 1.00 2.52 H new ATOM 0 HG2 GLN A 84 1.534 -3.847 -23.481 1.00 0.01 H new ATOM 0 HG3 GLN A 84 2.727 -3.473 -22.253 1.00 0.01 H new ATOM 0 HE21 GLN A 84 -0.298 -5.219 -22.939 1.00 74.51 H new ATOM 0 HE22 GLN A 84 -0.238 -6.274 -21.524 1.00 74.51 H new ATOM 1379 N ARG A 85 2.368 -0.342 -19.251 1.00 2.31 N ATOM 1380 CA ARG A 85 3.650 0.216 -18.745 1.00 40.24 C ATOM 1381 C ARG A 85 3.608 0.367 -17.203 1.00 72.41 C ATOM 1382 O ARG A 85 3.444 -0.635 -16.507 1.00 63.42 O ATOM 1383 CB ARG A 85 3.987 1.548 -19.483 1.00 24.52 C ATOM 1384 CG ARG A 85 4.071 1.419 -21.020 1.00 72.23 C ATOM 1385 CD ARG A 85 4.579 2.694 -21.707 1.00 65.43 C ATOM 1386 NE ARG A 85 5.979 2.996 -21.367 1.00 64.13 N ATOM 1387 CZ ARG A 85 7.053 2.381 -21.890 1.00 4.44 C ATOM 1388 NH1 ARG A 85 6.928 1.406 -22.793 1.00 72.31 N ATOM 1389 NH2 ARG A 85 8.257 2.770 -21.527 1.00 63.30 N ATOM 0 H ARG A 85 1.541 0.150 -18.913 1.00 2.31 H new ATOM 0 HA ARG A 85 4.461 -0.478 -18.964 1.00 40.24 H new ATOM 0 HB2 ARG A 85 3.229 2.290 -19.233 1.00 24.52 H new ATOM 0 HB3 ARG A 85 4.938 1.926 -19.109 1.00 24.52 H new ATOM 0 HG2 ARG A 85 4.732 0.590 -21.273 1.00 72.23 H new ATOM 0 HG3 ARG A 85 3.084 1.171 -21.412 1.00 72.23 H new ATOM 0 HD2 ARG A 85 4.486 2.583 -22.787 1.00 65.43 H new ATOM 0 HD3 ARG A 85 3.948 3.535 -21.418 1.00 65.43 H new ATOM 0 HE ARG A 85 6.147 3.731 -20.680 1.00 64.13 H new ATOM 0 HH11 ARG A 85 6.001 1.112 -23.101 1.00 72.31 H new ATOM 0 HH12 ARG A 85 7.759 0.955 -23.175 1.00 72.31 H new ATOM 0 HH21 ARG A 85 8.367 3.530 -20.856 1.00 63.30 H new ATOM 0 HH22 ARG A 85 9.080 2.311 -21.917 1.00 63.30 H new ATOM 1403 N LEU A 86 3.782 1.597 -16.667 1.00 1.53 N ATOM 1404 CA LEU A 86 3.739 1.880 -15.217 1.00 64.42 C ATOM 1405 C LEU A 86 2.865 3.122 -15.011 1.00 64.02 C ATOM 1406 O LEU A 86 3.273 4.132 -14.430 1.00 13.12 O ATOM 1407 CB LEU A 86 5.178 2.069 -14.644 1.00 20.11 C ATOM 1408 CG LEU A 86 6.071 0.788 -14.593 1.00 23.23 C ATOM 1409 CD1 LEU A 86 7.517 1.143 -14.206 1.00 22.44 C ATOM 1410 CD2 LEU A 86 5.481 -0.282 -13.636 1.00 13.25 C ATOM 0 H LEU A 86 3.957 2.426 -17.235 1.00 1.53 H new ATOM 0 HA LEU A 86 3.307 1.040 -14.673 1.00 64.42 H new ATOM 0 HB2 LEU A 86 5.690 2.821 -15.244 1.00 20.11 H new ATOM 0 HB3 LEU A 86 5.095 2.470 -13.634 1.00 20.11 H new ATOM 0 HG LEU A 86 6.085 0.355 -15.593 1.00 23.23 H new ATOM 0 HD11 LEU A 86 8.119 0.235 -14.177 1.00 22.44 H new ATOM 0 HD12 LEU A 86 7.932 1.831 -14.943 1.00 22.44 H new ATOM 0 HD13 LEU A 86 7.525 1.615 -13.224 1.00 22.44 H new ATOM 0 HD21 LEU A 86 6.129 -1.158 -13.626 1.00 13.25 H new ATOM 0 HD22 LEU A 86 5.412 0.129 -12.629 1.00 13.25 H new ATOM 0 HD23 LEU A 86 4.487 -0.569 -13.980 1.00 13.25 H new ATOM 1422 N ASP A 87 1.645 3.003 -15.536 1.00 52.22 N ATOM 1423 CA ASP A 87 0.648 4.084 -15.601 1.00 61.41 C ATOM 1424 C ASP A 87 -0.054 4.275 -14.246 1.00 43.42 C ATOM 1425 O ASP A 87 0.064 3.437 -13.369 1.00 62.40 O ATOM 1426 CB ASP A 87 -0.379 3.746 -16.709 1.00 70.43 C ATOM 1427 CG ASP A 87 0.303 3.344 -18.032 1.00 3.24 C ATOM 1428 OD1 ASP A 87 0.528 2.130 -18.262 1.00 52.04 O ATOM 1429 OD2 ASP A 87 0.640 4.238 -18.835 1.00 54.23 O ATOM 0 H ASP A 87 1.309 2.129 -15.941 1.00 52.22 H new ATOM 0 HA ASP A 87 1.149 5.022 -15.838 1.00 61.41 H new ATOM 0 HB2 ASP A 87 -1.021 2.932 -16.371 1.00 70.43 H new ATOM 0 HB3 ASP A 87 -1.022 4.609 -16.881 1.00 70.43 H new ATOM 1434 N GLU A 88 -0.795 5.380 -14.089 1.00 22.14 N ATOM 1435 CA GLU A 88 -1.534 5.685 -12.837 1.00 42.01 C ATOM 1436 C GLU A 88 -2.938 6.197 -13.188 1.00 14.41 C ATOM 1437 O GLU A 88 -3.114 6.827 -14.237 1.00 61.44 O ATOM 1438 CB GLU A 88 -0.732 6.720 -11.982 1.00 65.32 C ATOM 1439 CG GLU A 88 -1.359 7.135 -10.618 1.00 44.02 C ATOM 1440 CD GLU A 88 -1.734 5.942 -9.721 1.00 50.13 C ATOM 1441 OE1 GLU A 88 -0.826 5.241 -9.248 1.00 40.45 O ATOM 1442 OE2 GLU A 88 -2.939 5.679 -9.519 1.00 53.21 O ATOM 0 H GLU A 88 -0.905 6.088 -14.815 1.00 22.14 H new ATOM 0 HA GLU A 88 -1.643 4.782 -12.237 1.00 42.01 H new ATOM 0 HB2 GLU A 88 0.259 6.308 -11.790 1.00 65.32 H new ATOM 0 HB3 GLU A 88 -0.592 7.620 -12.580 1.00 65.32 H new ATOM 0 HG2 GLU A 88 -0.655 7.773 -10.084 1.00 44.02 H new ATOM 0 HG3 GLU A 88 -2.251 7.732 -10.805 1.00 44.02 H new ATOM 1449 N LEU A 89 -3.926 5.880 -12.312 1.00 23.34 N ATOM 1450 CA LEU A 89 -5.328 6.323 -12.449 1.00 2.44 C ATOM 1451 C LEU A 89 -5.405 7.859 -12.568 1.00 22.15 C ATOM 1452 O LEU A 89 -6.193 8.398 -13.349 1.00 45.10 O ATOM 1453 CB LEU A 89 -6.174 5.837 -11.230 1.00 74.33 C ATOM 1454 CG LEU A 89 -6.314 4.286 -11.040 1.00 21.22 C ATOM 1455 CD1 LEU A 89 -7.105 3.945 -9.752 1.00 54.44 C ATOM 1456 CD2 LEU A 89 -6.967 3.623 -12.277 1.00 52.54 C ATOM 0 H LEU A 89 -3.765 5.305 -11.485 1.00 23.34 H new ATOM 0 HA LEU A 89 -5.737 5.884 -13.359 1.00 2.44 H new ATOM 0 HB2 LEU A 89 -5.733 6.252 -10.324 1.00 74.33 H new ATOM 0 HB3 LEU A 89 -7.175 6.260 -11.321 1.00 74.33 H new ATOM 0 HG LEU A 89 -5.308 3.880 -10.934 1.00 21.22 H new ATOM 0 HD11 LEU A 89 -7.184 2.863 -9.650 1.00 54.44 H new ATOM 0 HD12 LEU A 89 -6.584 4.354 -8.886 1.00 54.44 H new ATOM 0 HD13 LEU A 89 -8.104 4.378 -9.813 1.00 54.44 H new ATOM 0 HD21 LEU A 89 -7.049 2.549 -12.113 1.00 52.54 H new ATOM 0 HD22 LEU A 89 -7.960 4.043 -12.433 1.00 52.54 H new ATOM 0 HD23 LEU A 89 -6.352 3.809 -13.157 1.00 52.54 H new ATOM 1468 N SER A 90 -4.547 8.535 -11.787 1.00 54.14 N ATOM 1469 CA SER A 90 -4.390 9.995 -11.813 1.00 12.31 C ATOM 1470 C SER A 90 -2.874 10.308 -11.747 1.00 40.42 C ATOM 1471 O SER A 90 -2.126 9.818 -12.600 1.00 24.13 O ATOM 1472 CB SER A 90 -5.210 10.596 -10.654 1.00 64.50 C ATOM 1473 OG SER A 90 -5.240 12.008 -10.706 1.00 14.51 O ATOM 0 H SER A 90 -3.936 8.075 -11.112 1.00 54.14 H new ATOM 0 HA SER A 90 -4.773 10.448 -12.728 1.00 12.31 H new ATOM 0 HB2 SER A 90 -6.229 10.210 -10.691 1.00 64.50 H new ATOM 0 HB3 SER A 90 -4.783 10.277 -9.703 1.00 64.50 H new ATOM 0 HG SER A 90 -5.770 12.352 -9.957 1.00 14.51 H new ATOM 1479 N SER A 91 -2.408 11.108 -10.766 1.00 12.44 N ATOM 1480 CA SER A 91 -0.972 11.308 -10.504 1.00 72.23 C ATOM 1481 C SER A 91 -0.741 11.479 -8.992 1.00 10.34 C ATOM 1482 O SER A 91 -1.554 12.094 -8.292 1.00 12.33 O ATOM 1483 CB SER A 91 -0.425 12.541 -11.283 1.00 31.24 C ATOM 1484 OG SER A 91 -0.531 12.367 -12.694 1.00 75.32 O ATOM 0 H SER A 91 -3.016 11.631 -10.136 1.00 12.44 H new ATOM 0 HA SER A 91 -0.430 10.429 -10.853 1.00 72.23 H new ATOM 0 HB2 SER A 91 -0.976 13.433 -10.985 1.00 31.24 H new ATOM 0 HB3 SER A 91 0.618 12.706 -11.015 1.00 31.24 H new ATOM 0 HG SER A 91 -0.911 11.484 -12.887 1.00 75.32 H new ATOM 1490 N LEU A 92 0.361 10.902 -8.504 1.00 0.24 N ATOM 1491 CA LEU A 92 0.827 11.067 -7.115 1.00 2.21 C ATOM 1492 C LEU A 92 1.920 12.153 -7.078 1.00 2.12 C ATOM 1493 O LEU A 92 1.704 13.228 -7.655 1.00 71.43 O ATOM 1494 CB LEU A 92 1.322 9.701 -6.580 1.00 53.51 C ATOM 1495 CG LEU A 92 0.240 8.616 -6.302 1.00 24.53 C ATOM 1496 CD1 LEU A 92 0.853 7.436 -5.529 1.00 24.53 C ATOM 1497 CD2 LEU A 92 -0.967 9.198 -5.548 1.00 54.41 C ATOM 0 H LEU A 92 0.964 10.300 -9.064 1.00 0.24 H new ATOM 0 HA LEU A 92 0.017 11.396 -6.464 1.00 2.21 H new ATOM 0 HB2 LEU A 92 2.033 9.294 -7.298 1.00 53.51 H new ATOM 0 HB3 LEU A 92 1.870 9.878 -5.654 1.00 53.51 H new ATOM 0 HG LEU A 92 -0.124 8.253 -7.263 1.00 24.53 H new ATOM 0 HD11 LEU A 92 0.085 6.685 -5.342 1.00 24.53 H new ATOM 0 HD12 LEU A 92 1.657 6.994 -6.118 1.00 24.53 H new ATOM 0 HD13 LEU A 92 1.252 7.791 -4.579 1.00 24.53 H new ATOM 0 HD21 LEU A 92 -1.700 8.411 -5.372 1.00 54.41 H new ATOM 0 HD22 LEU A 92 -0.637 9.606 -4.593 1.00 54.41 H new ATOM 0 HD23 LEU A 92 -1.421 9.990 -6.144 1.00 54.41 H new ATOM 1509 N ILE A 93 3.058 11.895 -6.365 1.00 60.43 N ATOM 1510 CA ILE A 93 4.294 12.716 -6.441 1.00 40.03 C ATOM 1511 C ILE A 93 4.599 13.093 -7.908 1.00 65.22 C ATOM 1512 O ILE A 93 4.816 14.261 -8.231 1.00 60.01 O ATOM 1513 CB ILE A 93 5.530 11.947 -5.811 1.00 53.23 C ATOM 1514 CG1 ILE A 93 5.223 11.534 -4.332 1.00 22.14 C ATOM 1515 CG2 ILE A 93 6.835 12.785 -5.898 1.00 61.32 C ATOM 1516 CD1 ILE A 93 6.301 10.707 -3.640 1.00 4.11 C ATOM 0 H ILE A 93 3.137 11.108 -5.721 1.00 60.43 H new ATOM 0 HA ILE A 93 4.128 13.627 -5.866 1.00 40.03 H new ATOM 0 HB ILE A 93 5.691 11.041 -6.396 1.00 53.23 H new ATOM 0 HG12 ILE A 93 5.055 12.439 -3.749 1.00 22.14 H new ATOM 0 HG13 ILE A 93 4.292 10.968 -4.318 1.00 22.14 H new ATOM 0 HG21 ILE A 93 7.658 12.224 -5.456 1.00 61.32 H new ATOM 0 HG22 ILE A 93 7.061 12.999 -6.943 1.00 61.32 H new ATOM 0 HG23 ILE A 93 6.703 13.722 -5.357 1.00 61.32 H new ATOM 0 HD11 ILE A 93 5.986 10.477 -2.622 1.00 4.11 H new ATOM 0 HD12 ILE A 93 6.457 9.779 -4.190 1.00 4.11 H new ATOM 0 HD13 ILE A 93 7.232 11.273 -3.612 1.00 4.11 H new ATOM 1528 N GLY A 94 4.550 12.079 -8.789 1.00 15.32 N ATOM 1529 CA GLY A 94 4.626 12.286 -10.235 1.00 22.12 C ATOM 1530 C GLY A 94 4.796 10.970 -10.976 1.00 23.21 C ATOM 1531 O GLY A 94 4.075 9.999 -10.690 1.00 4.11 O ATOM 0 H GLY A 94 4.457 11.101 -8.515 1.00 15.32 H new ATOM 0 HA2 GLY A 94 3.721 12.785 -10.581 1.00 22.12 H new ATOM 0 HA3 GLY A 94 5.462 12.946 -10.466 1.00 22.12 H new ATOM 1535 N GLN A 95 5.733 10.942 -11.938 1.00 34.35 N ATOM 1536 CA GLN A 95 6.117 9.711 -12.651 1.00 1.04 C ATOM 1537 C GLN A 95 6.885 8.747 -11.715 1.00 54.05 C ATOM 1538 O GLN A 95 7.496 9.186 -10.724 1.00 2.13 O ATOM 1539 CB GLN A 95 6.949 10.023 -13.932 1.00 51.22 C ATOM 1540 CG GLN A 95 8.290 10.789 -13.731 1.00 70.53 C ATOM 1541 CD GLN A 95 8.122 12.309 -13.553 1.00 2.54 C ATOM 1542 OE1 GLN A 95 7.994 12.819 -12.441 1.00 11.01 O ATOM 1543 NE2 GLN A 95 8.085 13.034 -14.656 1.00 31.44 N ATOM 0 H GLN A 95 6.245 11.770 -12.243 1.00 34.35 H new ATOM 0 HA GLN A 95 5.198 9.218 -12.970 1.00 1.04 H new ATOM 0 HB2 GLN A 95 7.169 9.080 -14.432 1.00 51.22 H new ATOM 0 HB3 GLN A 95 6.324 10.605 -14.609 1.00 51.22 H new ATOM 0 HG2 GLN A 95 8.800 10.385 -12.856 1.00 70.53 H new ATOM 0 HG3 GLN A 95 8.935 10.603 -14.590 1.00 70.53 H new ATOM 0 HE21 GLN A 95 8.194 12.585 -15.565 1.00 31.44 H new ATOM 0 HE22 GLN A 95 7.948 14.043 -14.599 1.00 31.44 H new ATOM 1552 N SER A 96 6.820 7.440 -12.052 1.00 24.03 N ATOM 1553 CA SER A 96 7.396 6.327 -11.264 1.00 52.41 C ATOM 1554 C SER A 96 6.667 6.182 -9.905 1.00 73.34 C ATOM 1555 O SER A 96 5.743 5.363 -9.797 1.00 21.50 O ATOM 1556 CB SER A 96 8.931 6.466 -11.102 1.00 60.21 C ATOM 1557 OG SER A 96 9.574 6.614 -12.359 1.00 40.15 O ATOM 0 H SER A 96 6.354 7.121 -12.901 1.00 24.03 H new ATOM 0 HA SER A 96 7.234 5.403 -11.819 1.00 52.41 H new ATOM 0 HB2 SER A 96 9.155 7.328 -10.473 1.00 60.21 H new ATOM 0 HB3 SER A 96 9.325 5.588 -10.591 1.00 60.21 H new ATOM 0 HG SER A 96 10.541 6.701 -12.224 1.00 40.15 H new ATOM 1563 N THR A 97 7.082 7.004 -8.912 1.00 1.22 N ATOM 1564 CA THR A 97 6.485 7.116 -7.562 1.00 55.20 C ATOM 1565 C THR A 97 6.210 5.760 -6.857 1.00 42.23 C ATOM 1566 O THR A 97 7.044 5.292 -6.101 1.00 54.20 O ATOM 1567 CB THR A 97 5.204 8.014 -7.581 1.00 25.42 C ATOM 1568 OG1 THR A 97 5.498 9.278 -8.203 1.00 34.33 O ATOM 1569 CG2 THR A 97 4.657 8.264 -6.164 1.00 20.21 C ATOM 0 H THR A 97 7.875 7.633 -9.036 1.00 1.22 H new ATOM 0 HA THR A 97 7.250 7.600 -6.955 1.00 55.20 H new ATOM 0 HB THR A 97 4.443 7.482 -8.152 1.00 25.42 H new ATOM 0 HG1 THR A 97 5.016 9.344 -9.054 1.00 34.33 H new ATOM 0 HG21 THR A 97 3.768 8.892 -6.223 1.00 20.21 H new ATOM 0 HG22 THR A 97 4.399 7.312 -5.700 1.00 20.21 H new ATOM 0 HG23 THR A 97 5.416 8.766 -5.564 1.00 20.21 H new ATOM 1577 N ARG A 98 5.068 5.127 -7.192 1.00 21.15 N ATOM 1578 CA ARG A 98 4.471 4.013 -6.427 1.00 73.24 C ATOM 1579 C ARG A 98 5.450 2.837 -6.286 1.00 4.32 C ATOM 1580 O ARG A 98 5.817 2.444 -5.164 1.00 5.11 O ATOM 1581 CB ARG A 98 3.163 3.510 -7.116 1.00 64.24 C ATOM 1582 CG ARG A 98 2.011 4.540 -7.214 1.00 42.20 C ATOM 1583 CD ARG A 98 2.206 5.623 -8.296 1.00 14.11 C ATOM 1584 NE ARG A 98 2.115 5.067 -9.651 1.00 60.13 N ATOM 1585 CZ ARG A 98 2.620 5.625 -10.757 1.00 33.25 C ATOM 1586 NH1 ARG A 98 3.277 6.783 -10.699 1.00 73.32 N ATOM 1587 NH2 ARG A 98 2.438 5.035 -11.929 1.00 74.41 N ATOM 0 H ARG A 98 4.524 5.380 -8.017 1.00 21.15 H new ATOM 0 HA ARG A 98 4.238 4.395 -5.433 1.00 73.24 H new ATOM 0 HB2 ARG A 98 3.412 3.175 -8.123 1.00 64.24 H new ATOM 0 HB3 ARG A 98 2.800 2.639 -6.571 1.00 64.24 H new ATOM 0 HG2 ARG A 98 1.082 4.007 -7.415 1.00 42.20 H new ATOM 0 HG3 ARG A 98 1.895 5.029 -6.247 1.00 42.20 H new ATOM 0 HD2 ARG A 98 1.452 6.400 -8.171 1.00 14.11 H new ATOM 0 HD3 ARG A 98 3.178 6.098 -8.163 1.00 14.11 H new ATOM 0 HE ARG A 98 1.625 4.179 -9.759 1.00 60.13 H new ATOM 0 HH11 ARG A 98 3.400 7.255 -9.803 1.00 73.32 H new ATOM 0 HH12 ARG A 98 3.657 7.197 -11.550 1.00 73.32 H new ATOM 0 HH21 ARG A 98 1.916 4.161 -11.984 1.00 74.41 H new ATOM 0 HH22 ARG A 98 2.820 5.455 -12.776 1.00 74.41 H new ATOM 1601 N GLN A 99 5.913 2.349 -7.451 1.00 63.21 N ATOM 1602 CA GLN A 99 6.754 1.157 -7.549 1.00 52.11 C ATOM 1603 C GLN A 99 8.076 1.363 -6.788 1.00 62.23 C ATOM 1604 O GLN A 99 8.377 0.609 -5.870 1.00 41.43 O ATOM 1605 CB GLN A 99 7.023 0.815 -9.040 1.00 41.51 C ATOM 1606 CG GLN A 99 7.668 -0.569 -9.279 1.00 44.22 C ATOM 1607 CD GLN A 99 8.079 -0.802 -10.731 1.00 64.21 C ATOM 1608 OE1 GLN A 99 8.470 0.121 -11.431 1.00 25.11 O ATOM 1609 NE2 GLN A 99 8.001 -2.034 -11.194 1.00 52.10 N ATOM 0 H GLN A 99 5.709 2.779 -8.353 1.00 63.21 H new ATOM 0 HA GLN A 99 6.229 0.319 -7.091 1.00 52.11 H new ATOM 0 HB2 GLN A 99 6.080 0.860 -9.585 1.00 41.51 H new ATOM 0 HB3 GLN A 99 7.673 1.581 -9.463 1.00 41.51 H new ATOM 0 HG2 GLN A 99 8.545 -0.668 -8.640 1.00 44.22 H new ATOM 0 HG3 GLN A 99 6.965 -1.346 -8.979 1.00 44.22 H new ATOM 0 HE21 GLN A 99 7.671 -2.786 -10.589 1.00 52.10 H new ATOM 0 HE22 GLN A 99 8.270 -2.235 -12.157 1.00 52.10 H new ATOM 1618 N LYS A 100 8.805 2.451 -7.138 1.00 22.20 N ATOM 1619 CA LYS A 100 10.134 2.749 -6.569 1.00 65.25 C ATOM 1620 C LYS A 100 10.054 3.045 -5.059 1.00 15.21 C ATOM 1621 O LYS A 100 10.744 2.399 -4.277 1.00 53.20 O ATOM 1622 CB LYS A 100 10.800 3.944 -7.305 1.00 73.22 C ATOM 1623 CG LYS A 100 12.201 4.317 -6.749 1.00 33.24 C ATOM 1624 CD LYS A 100 12.911 5.426 -7.558 1.00 42.14 C ATOM 1625 CE LYS A 100 14.300 5.763 -6.995 1.00 1.53 C ATOM 1626 NZ LYS A 100 14.982 6.821 -7.788 1.00 52.12 N ATOM 0 H LYS A 100 8.487 3.140 -7.819 1.00 22.20 H new ATOM 0 HA LYS A 100 10.747 1.859 -6.710 1.00 65.25 H new ATOM 0 HB2 LYS A 100 10.892 3.702 -8.364 1.00 73.22 H new ATOM 0 HB3 LYS A 100 10.147 4.814 -7.233 1.00 73.22 H new ATOM 0 HG2 LYS A 100 12.097 4.643 -5.714 1.00 33.24 H new ATOM 0 HG3 LYS A 100 12.829 3.426 -6.741 1.00 33.24 H new ATOM 0 HD2 LYS A 100 13.010 5.108 -8.596 1.00 42.14 H new ATOM 0 HD3 LYS A 100 12.294 6.324 -7.557 1.00 42.14 H new ATOM 0 HE2 LYS A 100 14.202 6.092 -5.961 1.00 1.53 H new ATOM 0 HE3 LYS A 100 14.915 4.863 -6.986 1.00 1.53 H new ATOM 0 HZ1 LYS A 100 15.916 7.018 -7.374 1.00 52.12 H new ATOM 0 HZ2 LYS A 100 15.100 6.498 -8.769 1.00 52.12 H new ATOM 0 HZ3 LYS A 100 14.408 7.688 -7.776 1.00 52.12 H new ATOM 1640 N SER A 101 9.186 4.003 -4.680 1.00 12.51 N ATOM 1641 CA SER A 101 9.059 4.494 -3.292 1.00 20.10 C ATOM 1642 C SER A 101 8.730 3.360 -2.316 1.00 21.43 C ATOM 1643 O SER A 101 9.395 3.218 -1.289 1.00 72.33 O ATOM 1644 CB SER A 101 7.974 5.594 -3.197 1.00 22.13 C ATOM 1645 OG SER A 101 7.839 6.099 -1.881 1.00 0.01 O ATOM 0 H SER A 101 8.549 4.461 -5.331 1.00 12.51 H new ATOM 0 HA SER A 101 10.025 4.915 -3.012 1.00 20.10 H new ATOM 0 HB2 SER A 101 8.226 6.410 -3.874 1.00 22.13 H new ATOM 0 HB3 SER A 101 7.018 5.189 -3.529 1.00 22.13 H new ATOM 0 HG SER A 101 6.910 6.370 -1.728 1.00 0.01 H new ATOM 1651 N LEU A 102 7.711 2.545 -2.665 1.00 62.33 N ATOM 1652 CA LEU A 102 7.232 1.464 -1.784 1.00 20.42 C ATOM 1653 C LEU A 102 8.180 0.231 -1.825 1.00 11.32 C ATOM 1654 O LEU A 102 8.249 -0.515 -0.845 1.00 62.55 O ATOM 1655 CB LEU A 102 5.765 1.073 -2.131 1.00 1.42 C ATOM 1656 CG LEU A 102 4.612 2.038 -1.652 1.00 1.11 C ATOM 1657 CD1 LEU A 102 4.706 3.441 -2.286 1.00 43.34 C ATOM 1658 CD2 LEU A 102 3.223 1.404 -1.921 1.00 2.13 C ATOM 0 H LEU A 102 7.207 2.617 -3.549 1.00 62.33 H new ATOM 0 HA LEU A 102 7.241 1.839 -0.761 1.00 20.42 H new ATOM 0 HB2 LEU A 102 5.692 0.976 -3.214 1.00 1.42 H new ATOM 0 HB3 LEU A 102 5.573 0.087 -1.709 1.00 1.42 H new ATOM 0 HG LEU A 102 4.738 2.172 -0.578 1.00 1.11 H new ATOM 0 HD11 LEU A 102 3.888 4.061 -1.920 1.00 43.34 H new ATOM 0 HD12 LEU A 102 5.657 3.899 -2.016 1.00 43.34 H new ATOM 0 HD13 LEU A 102 4.639 3.355 -3.371 1.00 43.34 H new ATOM 0 HD21 LEU A 102 2.441 2.084 -1.584 1.00 2.13 H new ATOM 0 HD22 LEU A 102 3.108 1.220 -2.989 1.00 2.13 H new ATOM 0 HD23 LEU A 102 3.142 0.462 -1.379 1.00 2.13 H new ATOM 1670 N ASN A 103 8.909 0.029 -2.956 1.00 30.02 N ATOM 1671 CA ASN A 103 9.945 -1.037 -3.065 1.00 33.33 C ATOM 1672 C ASN A 103 11.176 -0.707 -2.195 1.00 11.30 C ATOM 1673 O ASN A 103 11.736 -1.591 -1.534 1.00 42.31 O ATOM 1674 CB ASN A 103 10.374 -1.237 -4.547 1.00 34.21 C ATOM 1675 CG ASN A 103 11.549 -2.205 -4.731 1.00 74.12 C ATOM 1676 OD1 ASN A 103 12.708 -1.792 -4.810 1.00 60.01 O ATOM 1677 ND2 ASN A 103 11.269 -3.492 -4.769 1.00 61.25 N ATOM 0 H ASN A 103 8.800 0.588 -3.802 1.00 30.02 H new ATOM 0 HA ASN A 103 9.506 -1.965 -2.699 1.00 33.33 H new ATOM 0 HB2 ASN A 103 9.520 -1.606 -5.115 1.00 34.21 H new ATOM 0 HB3 ASN A 103 10.644 -0.269 -4.970 1.00 34.21 H new ATOM 0 HD21 ASN A 103 12.021 -4.175 -4.866 1.00 61.25 H new ATOM 0 HD22 ASN A 103 10.301 -3.805 -4.701 1.00 61.25 H new ATOM 1684 N ASN A 104 11.581 0.579 -2.211 1.00 12.23 N ATOM 1685 CA ASN A 104 12.712 1.088 -1.410 1.00 71.30 C ATOM 1686 C ASN A 104 12.330 1.063 0.074 1.00 2.33 C ATOM 1687 O ASN A 104 13.127 0.651 0.914 1.00 13.34 O ATOM 1688 CB ASN A 104 13.124 2.527 -1.855 1.00 13.34 C ATOM 1689 CG ASN A 104 13.852 2.611 -3.211 1.00 12.54 C ATOM 1690 OD1 ASN A 104 13.504 1.757 -4.171 1.00 2.43 O flip ATOM 1691 ND2 ASN A 104 14.723 3.463 -3.404 1.00 14.32 N flip ATOM 0 H ASN A 104 11.132 1.295 -2.781 1.00 12.23 H new ATOM 0 HA ASN A 104 13.576 0.444 -1.572 1.00 71.30 H new ATOM 0 HB2 ASN A 104 12.228 3.146 -1.903 1.00 13.34 H new ATOM 0 HB3 ASN A 104 13.768 2.957 -1.088 1.00 13.34 H new ATOM 0 HD21 ASN A 104 14.978 4.110 -2.658 1.00 14.32 H new ATOM 0 HD22 ASN A 104 15.188 3.521 -4.310 1.00 14.32 H new ATOM 1698 N ALA A 105 11.069 1.460 0.357 1.00 4.31 N ATOM 1699 CA ALA A 105 10.489 1.432 1.706 1.00 12.22 C ATOM 1700 C ALA A 105 10.482 0.002 2.257 1.00 40.40 C ATOM 1701 O ALA A 105 10.796 -0.211 3.425 1.00 15.22 O ATOM 1702 CB ALA A 105 9.065 2.017 1.698 1.00 14.12 C ATOM 0 H ALA A 105 10.426 1.810 -0.353 1.00 4.31 H new ATOM 0 HA ALA A 105 11.107 2.049 2.358 1.00 12.22 H new ATOM 0 HB1 ALA A 105 8.654 1.987 2.707 1.00 14.12 H new ATOM 0 HB2 ALA A 105 9.098 3.049 1.350 1.00 14.12 H new ATOM 0 HB3 ALA A 105 8.434 1.429 1.031 1.00 14.12 H new ATOM 1708 N TYR A 106 10.159 -0.972 1.376 1.00 33.43 N ATOM 1709 CA TYR A 106 10.136 -2.407 1.715 1.00 55.35 C ATOM 1710 C TYR A 106 11.552 -2.901 2.083 1.00 73.24 C ATOM 1711 O TYR A 106 11.727 -3.576 3.097 1.00 54.34 O ATOM 1712 CB TYR A 106 9.579 -3.223 0.509 1.00 34.51 C ATOM 1713 CG TYR A 106 9.232 -4.708 0.790 1.00 21.33 C ATOM 1714 CD1 TYR A 106 10.206 -5.659 1.136 1.00 73.23 C ATOM 1715 CD2 TYR A 106 7.920 -5.161 0.691 1.00 50.42 C ATOM 1716 CE1 TYR A 106 9.878 -6.978 1.361 1.00 2.02 C ATOM 1717 CE2 TYR A 106 7.598 -6.476 0.918 1.00 63.22 C ATOM 1718 CZ TYR A 106 8.571 -7.380 1.259 1.00 63.15 C ATOM 1719 OH TYR A 106 8.241 -8.701 1.486 1.00 63.02 O ATOM 0 H TYR A 106 9.906 -0.780 0.407 1.00 33.43 H new ATOM 0 HA TYR A 106 9.487 -2.553 2.578 1.00 55.35 H new ATOM 0 HB2 TYR A 106 8.681 -2.725 0.143 1.00 34.51 H new ATOM 0 HB3 TYR A 106 10.313 -3.189 -0.296 1.00 34.51 H new ATOM 0 HD1 TYR A 106 11.236 -5.349 1.228 1.00 73.23 H new ATOM 0 HD2 TYR A 106 7.138 -4.463 0.430 1.00 50.42 H new ATOM 0 HE1 TYR A 106 10.647 -7.692 1.617 1.00 2.02 H new ATOM 0 HE2 TYR A 106 6.572 -6.801 0.827 1.00 63.22 H new ATOM 0 HH TYR A 106 7.275 -8.821 1.375 1.00 63.02 H new ATOM 1729 N GLY A 107 12.544 -2.581 1.220 1.00 21.15 N ATOM 1730 CA GLY A 107 13.929 -3.060 1.386 1.00 14.44 C ATOM 1731 C GLY A 107 14.593 -2.535 2.652 1.00 5.43 C ATOM 1732 O GLY A 107 15.285 -3.275 3.367 1.00 31.44 O ATOM 0 H GLY A 107 12.406 -1.991 0.400 1.00 21.15 H new ATOM 0 HA2 GLY A 107 13.931 -4.150 1.407 1.00 14.44 H new ATOM 0 HA3 GLY A 107 14.519 -2.757 0.521 1.00 14.44 H new ATOM 1736 N ARG A 108 14.334 -1.251 2.939 1.00 3.13 N ATOM 1737 CA ARG A 108 14.848 -0.569 4.134 1.00 64.31 C ATOM 1738 C ARG A 108 14.086 -1.027 5.388 1.00 33.41 C ATOM 1739 O ARG A 108 14.641 -1.007 6.477 1.00 52.41 O ATOM 1740 CB ARG A 108 14.718 0.961 3.962 1.00 72.40 C ATOM 1741 CG ARG A 108 15.497 1.536 2.760 1.00 43.44 C ATOM 1742 CD ARG A 108 15.081 2.977 2.418 1.00 55.43 C ATOM 1743 NE ARG A 108 15.706 3.427 1.167 1.00 31.33 N ATOM 1744 CZ ARG A 108 15.347 4.499 0.456 1.00 54.12 C ATOM 1745 NH1 ARG A 108 14.354 5.288 0.859 1.00 24.31 N ATOM 1746 NH2 ARG A 108 15.965 4.759 -0.688 1.00 65.00 N ATOM 0 H ARG A 108 13.759 -0.654 2.345 1.00 3.13 H new ATOM 0 HA ARG A 108 15.900 -0.827 4.257 1.00 64.31 H new ATOM 0 HB2 ARG A 108 13.664 1.214 3.850 1.00 72.40 H new ATOM 0 HB3 ARG A 108 15.068 1.448 4.872 1.00 72.40 H new ATOM 0 HG2 ARG A 108 16.564 1.513 2.979 1.00 43.44 H new ATOM 0 HG3 ARG A 108 15.336 0.899 1.890 1.00 43.44 H new ATOM 0 HD2 ARG A 108 13.996 3.033 2.327 1.00 55.43 H new ATOM 0 HD3 ARG A 108 15.367 3.644 3.231 1.00 55.43 H new ATOM 0 HE ARG A 108 16.483 2.871 0.810 1.00 31.33 H new ATOM 0 HH11 ARG A 108 13.854 5.078 1.723 1.00 24.31 H new ATOM 0 HH12 ARG A 108 14.093 6.103 0.304 1.00 24.31 H new ATOM 0 HH21 ARG A 108 16.708 4.143 -1.018 1.00 65.00 H new ATOM 0 HH22 ARG A 108 15.698 5.575 -1.238 1.00 65.00 H new ATOM 1760 N LEU A 109 12.797 -1.396 5.219 1.00 10.31 N ATOM 1761 CA LEU A 109 11.968 -1.984 6.300 1.00 52.21 C ATOM 1762 C LEU A 109 12.540 -3.335 6.731 1.00 25.21 C ATOM 1763 O LEU A 109 12.680 -3.607 7.930 1.00 13.24 O ATOM 1764 CB LEU A 109 10.503 -2.135 5.823 1.00 31.55 C ATOM 1765 CG LEU A 109 9.510 -2.907 6.757 1.00 22.25 C ATOM 1766 CD1 LEU A 109 9.272 -2.196 8.106 1.00 75.21 C ATOM 1767 CD2 LEU A 109 8.192 -3.145 6.022 1.00 73.50 C ATOM 0 H LEU A 109 12.301 -1.296 4.333 1.00 10.31 H new ATOM 0 HA LEU A 109 11.983 -1.317 7.162 1.00 52.21 H new ATOM 0 HB2 LEU A 109 10.100 -1.136 5.657 1.00 31.55 H new ATOM 0 HB3 LEU A 109 10.515 -2.639 4.856 1.00 31.55 H new ATOM 0 HG LEU A 109 9.970 -3.865 7.001 1.00 22.25 H new ATOM 0 HD11 LEU A 109 8.575 -2.780 8.707 1.00 75.21 H new ATOM 0 HD12 LEU A 109 10.218 -2.099 8.638 1.00 75.21 H new ATOM 0 HD13 LEU A 109 8.854 -1.206 7.926 1.00 75.21 H new ATOM 0 HD21 LEU A 109 7.503 -3.682 6.674 1.00 73.50 H new ATOM 0 HD22 LEU A 109 7.754 -2.187 5.742 1.00 73.50 H new ATOM 0 HD23 LEU A 109 8.377 -3.736 5.125 1.00 73.50 H new ATOM 1779 N SER A 110 12.893 -4.145 5.720 1.00 11.02 N ATOM 1780 CA SER A 110 13.450 -5.482 5.903 1.00 63.35 C ATOM 1781 C SER A 110 14.799 -5.398 6.636 1.00 30.33 C ATOM 1782 O SER A 110 15.013 -6.096 7.632 1.00 51.45 O ATOM 1783 CB SER A 110 13.604 -6.172 4.526 1.00 24.05 C ATOM 1784 OG SER A 110 14.111 -7.491 4.651 1.00 11.41 O ATOM 0 H SER A 110 12.795 -3.879 4.740 1.00 11.02 H new ATOM 0 HA SER A 110 12.773 -6.078 6.515 1.00 63.35 H new ATOM 0 HB2 SER A 110 12.637 -6.200 4.024 1.00 24.05 H new ATOM 0 HB3 SER A 110 14.273 -5.584 3.897 1.00 24.05 H new ATOM 0 HG SER A 110 14.193 -7.896 3.762 1.00 11.41 H new ATOM 1790 N GLY A 111 15.689 -4.503 6.159 1.00 2.44 N ATOM 1791 CA GLY A 111 17.030 -4.389 6.730 1.00 62.03 C ATOM 1792 C GLY A 111 17.079 -3.555 8.009 1.00 43.03 C ATOM 1793 O GLY A 111 17.424 -4.076 9.075 1.00 54.34 O ATOM 0 H GLY A 111 15.499 -3.860 5.390 1.00 2.44 H new ATOM 0 HA2 GLY A 111 17.412 -5.388 6.942 1.00 62.03 H new ATOM 0 HA3 GLY A 111 17.695 -3.944 5.990 1.00 62.03 H new ATOM 1797 N MET A 112 16.704 -2.267 7.915 1.00 32.41 N ATOM 1798 CA MET A 112 16.841 -1.313 9.044 1.00 72.04 C ATOM 1799 C MET A 112 15.579 -1.189 9.921 1.00 40.23 C ATOM 1800 O MET A 112 15.589 -1.597 11.090 1.00 21.31 O ATOM 1801 CB MET A 112 17.223 0.089 8.480 1.00 2.42 C ATOM 1802 CG MET A 112 18.705 0.263 8.162 1.00 44.31 C ATOM 1803 SD MET A 112 19.752 0.092 9.629 1.00 71.32 S ATOM 1804 CE MET A 112 19.048 1.314 10.746 1.00 24.43 C ATOM 0 H MET A 112 16.303 -1.857 7.071 1.00 32.41 H new ATOM 0 HA MET A 112 17.622 -1.709 9.693 1.00 72.04 H new ATOM 0 HB2 MET A 112 16.646 0.271 7.573 1.00 2.42 H new ATOM 0 HB3 MET A 112 16.928 0.850 9.203 1.00 2.42 H new ATOM 0 HG2 MET A 112 19.003 -0.476 7.418 1.00 44.31 H new ATOM 0 HG3 MET A 112 18.865 1.245 7.717 1.00 44.31 H new ATOM 0 HE1 MET A 112 19.728 1.476 11.583 1.00 24.43 H new ATOM 0 HE2 MET A 112 18.899 2.252 10.212 1.00 24.43 H new ATOM 0 HE3 MET A 112 18.090 0.955 11.121 1.00 24.43 H new ATOM 1814 N LEU A 113 14.496 -0.658 9.323 1.00 4.33 N ATOM 1815 CA LEU A 113 13.277 -0.241 10.040 1.00 3.24 C ATOM 1816 C LEU A 113 12.275 0.313 9.017 1.00 62.43 C ATOM 1817 O LEU A 113 11.073 0.107 9.160 1.00 22.12 O ATOM 1818 CB LEU A 113 13.641 0.831 11.130 1.00 64.12 C ATOM 1819 CG LEU A 113 12.455 1.527 11.915 1.00 74.11 C ATOM 1820 CD1 LEU A 113 12.818 1.761 13.394 1.00 23.05 C ATOM 1821 CD2 LEU A 113 12.058 2.872 11.266 1.00 33.32 C ATOM 0 H LEU A 113 14.443 -0.505 8.316 1.00 4.33 H new ATOM 0 HA LEU A 113 12.824 -1.090 10.552 1.00 3.24 H new ATOM 0 HB2 LEU A 113 14.292 0.354 11.863 1.00 64.12 H new ATOM 0 HB3 LEU A 113 14.226 1.614 10.646 1.00 64.12 H new ATOM 0 HG LEU A 113 11.605 0.846 11.863 1.00 74.11 H new ATOM 0 HD11 LEU A 113 11.981 2.240 13.903 1.00 23.05 H new ATOM 0 HD12 LEU A 113 13.033 0.805 13.871 1.00 23.05 H new ATOM 0 HD13 LEU A 113 13.696 2.404 13.456 1.00 23.05 H new ATOM 0 HD21 LEU A 113 11.241 3.322 11.831 1.00 33.32 H new ATOM 0 HD22 LEU A 113 12.915 3.545 11.270 1.00 33.32 H new ATOM 0 HD23 LEU A 113 11.737 2.700 10.239 1.00 33.32 H new ATOM 1833 N LEU A 114 12.856 1.004 8.007 1.00 63.12 N ATOM 1834 CA LEU A 114 12.222 1.656 6.817 1.00 34.32 C ATOM 1835 C LEU A 114 13.085 2.895 6.488 1.00 34.44 C ATOM 1836 O LEU A 114 13.057 3.425 5.373 1.00 2.05 O ATOM 1837 CB LEU A 114 10.703 2.028 6.974 1.00 5.24 C ATOM 1838 CG LEU A 114 9.844 2.188 5.648 1.00 53.21 C ATOM 1839 CD1 LEU A 114 8.363 1.792 5.878 1.00 44.21 C ATOM 1840 CD2 LEU A 114 9.929 3.620 5.060 1.00 43.03 C ATOM 0 H LEU A 114 13.867 1.136 7.995 1.00 63.12 H new ATOM 0 HA LEU A 114 12.204 0.934 6.001 1.00 34.32 H new ATOM 0 HB2 LEU A 114 10.231 1.262 7.589 1.00 5.24 H new ATOM 0 HB3 LEU A 114 10.642 2.964 7.529 1.00 5.24 H new ATOM 0 HG LEU A 114 10.278 1.503 4.919 1.00 53.21 H new ATOM 0 HD11 LEU A 114 7.805 1.914 4.949 1.00 44.21 H new ATOM 0 HD12 LEU A 114 8.310 0.752 6.199 1.00 44.21 H new ATOM 0 HD13 LEU A 114 7.931 2.432 6.648 1.00 44.21 H new ATOM 0 HD21 LEU A 114 9.325 3.678 4.155 1.00 43.03 H new ATOM 0 HD22 LEU A 114 9.556 4.337 5.792 1.00 43.03 H new ATOM 0 HD23 LEU A 114 10.966 3.854 4.820 1.00 43.03 H new ATOM 1852 N VAL A 115 13.923 3.288 7.467 1.00 75.44 N ATOM 1853 CA VAL A 115 14.836 4.435 7.337 1.00 1.12 C ATOM 1854 C VAL A 115 16.031 4.074 6.416 1.00 52.31 C ATOM 1855 O VAL A 115 16.555 2.948 6.486 1.00 31.04 O ATOM 1856 CB VAL A 115 15.346 4.922 8.754 1.00 12.53 C ATOM 1857 CG1 VAL A 115 14.178 5.512 9.580 1.00 52.42 C ATOM 1858 CG2 VAL A 115 16.059 3.784 9.537 1.00 32.32 C ATOM 0 H VAL A 115 13.984 2.817 8.370 1.00 75.44 H new ATOM 0 HA VAL A 115 14.285 5.258 6.882 1.00 1.12 H new ATOM 0 HB VAL A 115 16.083 5.707 8.584 1.00 12.53 H new ATOM 0 HG11 VAL A 115 14.549 5.841 10.551 1.00 52.42 H new ATOM 0 HG12 VAL A 115 13.749 6.361 9.048 1.00 52.42 H new ATOM 0 HG13 VAL A 115 13.412 4.750 9.724 1.00 52.42 H new ATOM 0 HG21 VAL A 115 16.393 4.161 10.504 1.00 32.32 H new ATOM 0 HG22 VAL A 115 15.365 2.958 9.690 1.00 32.32 H new ATOM 0 HG23 VAL A 115 16.920 3.434 8.967 1.00 32.32 H new ATOM 1868 N PRO A 116 16.454 5.008 5.497 1.00 40.05 N ATOM 1869 CA PRO A 116 17.628 4.793 4.629 1.00 62.41 C ATOM 1870 C PRO A 116 18.937 4.952 5.428 1.00 24.34 C ATOM 1871 O PRO A 116 19.173 5.990 6.048 1.00 33.42 O ATOM 1872 CB PRO A 116 17.479 5.881 3.515 1.00 45.12 C ATOM 1873 CG PRO A 116 16.136 6.524 3.749 1.00 60.15 C ATOM 1874 CD PRO A 116 15.839 6.334 5.221 1.00 62.12 C ATOM 0 HA PRO A 116 17.672 3.788 4.209 1.00 62.41 H new ATOM 0 HB2 PRO A 116 18.281 6.616 3.576 1.00 45.12 H new ATOM 0 HB3 PRO A 116 17.531 5.434 2.522 1.00 45.12 H new ATOM 0 HG2 PRO A 116 16.158 7.582 3.488 1.00 60.15 H new ATOM 0 HG3 PRO A 116 15.367 6.059 3.132 1.00 60.15 H new ATOM 0 HD2 PRO A 116 16.281 7.122 5.831 1.00 62.12 H new ATOM 0 HD3 PRO A 116 14.768 6.336 5.424 1.00 62.12 H new ATOM 1882 N ASP A 117 19.760 3.903 5.423 1.00 0.42 N ATOM 1883 CA ASP A 117 21.053 3.868 6.132 1.00 52.02 C ATOM 1884 C ASP A 117 22.092 3.292 5.162 1.00 42.35 C ATOM 1885 O ASP A 117 22.983 3.999 4.679 1.00 23.02 O ATOM 1886 CB ASP A 117 20.915 3.012 7.424 1.00 61.05 C ATOM 1887 CG ASP A 117 22.221 2.852 8.223 1.00 41.21 C ATOM 1888 OD1 ASP A 117 22.985 1.897 7.964 1.00 0.23 O ATOM 1889 OD2 ASP A 117 22.487 3.675 9.122 1.00 1.15 O ATOM 0 H ASP A 117 19.551 3.040 4.922 1.00 0.42 H new ATOM 0 HA ASP A 117 21.371 4.863 6.444 1.00 52.02 H new ATOM 0 HB2 ASP A 117 20.163 3.467 8.068 1.00 61.05 H new ATOM 0 HB3 ASP A 117 20.546 2.023 7.152 1.00 61.05 H new ATOM 1894 N ALA A 118 21.936 1.999 4.860 1.00 71.52 N ATOM 1895 CA ALA A 118 22.679 1.318 3.801 1.00 3.33 C ATOM 1896 C ALA A 118 21.668 0.863 2.737 1.00 5.44 C ATOM 1897 O ALA A 118 20.776 0.064 3.056 1.00 22.41 O ATOM 1898 CB ALA A 118 23.462 0.123 4.371 1.00 71.22 C ATOM 0 H ALA A 118 21.281 1.391 5.352 1.00 71.52 H new ATOM 0 HA ALA A 118 23.409 1.993 3.354 1.00 3.33 H new ATOM 0 HB1 ALA A 118 24.008 -0.371 3.567 1.00 71.22 H new ATOM 0 HB2 ALA A 118 24.166 0.475 5.125 1.00 71.22 H new ATOM 0 HB3 ALA A 118 22.767 -0.584 4.825 1.00 71.22 H new ATOM 1904 N PRO A 119 21.736 1.407 1.479 1.00 24.25 N ATOM 1905 CA PRO A 119 20.890 0.925 0.354 1.00 42.02 C ATOM 1906 C PRO A 119 21.176 -0.552 0.003 1.00 10.55 C ATOM 1907 O PRO A 119 20.279 -1.270 -0.450 1.00 43.10 O ATOM 1908 CB PRO A 119 21.251 1.886 -0.818 1.00 63.50 C ATOM 1909 CG PRO A 119 22.598 2.445 -0.453 1.00 43.34 C ATOM 1910 CD PRO A 119 22.597 2.552 1.060 1.00 75.01 C ATOM 0 HA PRO A 119 19.827 0.942 0.595 1.00 42.02 H new ATOM 0 HB2 PRO A 119 21.287 1.354 -1.769 1.00 63.50 H new ATOM 0 HB3 PRO A 119 20.509 2.678 -0.924 1.00 63.50 H new ATOM 0 HG2 PRO A 119 23.400 1.793 -0.800 1.00 43.34 H new ATOM 0 HG3 PRO A 119 22.757 3.419 -0.915 1.00 43.34 H new ATOM 0 HD2 PRO A 119 23.603 2.471 1.471 1.00 75.01 H new ATOM 0 HD3 PRO A 119 22.191 3.506 1.397 1.00 75.01 H new ATOM 1918 N GLY A 120 22.430 -0.990 0.232 1.00 72.20 N ATOM 1919 CA GLY A 120 22.834 -2.381 0.003 1.00 43.13 C ATOM 1920 C GLY A 120 24.346 -2.547 0.052 1.00 32.53 C ATOM 1921 O GLY A 120 25.085 -1.556 -0.008 1.00 2.30 O ATOM 0 H GLY A 120 23.181 -0.392 0.577 1.00 72.20 H new ATOM 0 HA2 GLY A 120 22.374 -3.021 0.755 1.00 43.13 H new ATOM 0 HA3 GLY A 120 22.463 -2.712 -0.967 1.00 43.13 H new ATOM 1925 N ALA A 121 24.803 -3.808 0.149 1.00 65.24 N ATOM 1926 CA ALA A 121 26.235 -4.160 0.182 1.00 20.20 C ATOM 1927 C ALA A 121 26.425 -5.619 -0.278 1.00 72.30 C ATOM 1928 O ALA A 121 26.175 -6.556 0.490 1.00 45.33 O ATOM 1929 CB ALA A 121 26.825 -3.947 1.595 1.00 73.45 C ATOM 0 H ALA A 121 24.185 -4.618 0.207 1.00 65.24 H new ATOM 0 HA ALA A 121 26.772 -3.503 -0.502 1.00 20.20 H new ATOM 0 HB1 ALA A 121 27.882 -4.214 1.592 1.00 73.45 H new ATOM 0 HB2 ALA A 121 26.716 -2.901 1.881 1.00 73.45 H new ATOM 0 HB3 ALA A 121 26.294 -4.576 2.310 1.00 73.45 H new ATOM 1935 N SER A 122 26.833 -5.796 -1.546 1.00 73.31 N ATOM 1936 CA SER A 122 27.135 -7.106 -2.136 1.00 4.41 C ATOM 1937 C SER A 122 28.607 -7.093 -2.631 1.00 43.44 C ATOM 1938 O SER A 122 28.879 -6.630 -3.758 1.00 54.51 O ATOM 1939 CB SER A 122 26.120 -7.411 -3.277 1.00 62.52 C ATOM 1940 OG SER A 122 26.294 -8.716 -3.806 1.00 2.02 O ATOM 1941 OXT SER A 122 29.502 -7.502 -1.860 1.00 37.89 O ATOM 0 H SER A 122 26.963 -5.021 -2.197 1.00 73.31 H new ATOM 0 HA SER A 122 27.033 -7.904 -1.401 1.00 4.41 H new ATOM 0 HB2 SER A 122 25.104 -7.306 -2.896 1.00 62.52 H new ATOM 0 HB3 SER A 122 26.239 -6.677 -4.074 1.00 62.52 H new ATOM 0 HG SER A 122 25.638 -8.870 -4.518 1.00 2.02 H new TER 1947 SER A 122