USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1131 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 102 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A1010 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 83 GLN : amide:sc= 0.405 K(o=0.85,f=-4.7!) USER MOD Set 2.2: A 99 GLN : amide:sc= 0.443 K(o=0.85,f=-1.1) USER MOD Set 3.1: A 18 SER OG : rot -15:sc= -0.0578 USER MOD Set 3.2: A 19 GLN :FLIP amide:sc= -1.31 F(o=-5.7!,f=-4.2) USER MOD Set 3.3: A 40 TYR OH : rot 159:sc= 0.501 USER MOD Set 3.4: A 70 GLN : amide:sc= -1.26 K(o=-4.2,f=-6!) USER MOD Set 3.5: A 71 THR OG1 : rot -125:sc= -1.01! USER MOD Set 3.6: A 74 ASN : amide:sc= -1.03 K(o=-4.2,f=-7.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.0552) 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 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.702 K(o=0.7,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 20 SER OG : rot 82:sc= 1.09 USER MOD Single : A 26 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.38) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0023 F(o=-1,f=-0.0023) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.016) USER MOD Single : A 43 SER OG : rot -170:sc=-0.00249 USER MOD Single : A 46 THR OG1 : rot 160:sc=-0.00973 USER MOD Single : A 48 MET CE :methyl -162:sc= -0.0437 (180deg=-0.446) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 52 THR OG1 : rot -103:sc= 0.815 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0811 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= 0.151 F(o=-1.2,f=0.15) USER MOD Single : A 63 MET CE :methyl 171:sc= -1.66 (180deg=-1.82) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= -0.0134 (180deg=-0.148) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= 0.444 (180deg=-0.228) USER MOD Single : A 84 GLN : amide:sc= -0.408 K(o=-0.41,f=-4.3!) USER MOD Single : A 90 SER OG : rot 86:sc= 0.132 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.22 X(o=0.22,f=-0.2) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A1001 MET CE :methyl 160:sc= -0.203 (180deg=-0.788) USER MOD Single : A1002 THR OG1 : rot 110:sc= -0.728 USER MOD Single : A1003 THR OG1 : rot 84:sc= 0.702 USER MOD Single : A1006 THR OG1 : rot -74:sc= 0.469 USER MOD Single : A1014 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A1018 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.429) USER MOD Single : A1019 MET CE :methyl 143:sc= -3.26! (180deg=-3.65!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.603 -5.826 25.032 1.00 41.45 N ATOM 2 CA MET A 1 4.934 -6.009 23.594 1.00 43.33 C ATOM 3 C MET A 1 3.947 -5.243 22.681 1.00 53.43 C ATOM 4 O MET A 1 3.776 -5.614 21.522 1.00 40.03 O ATOM 5 CB MET A 1 4.941 -7.531 23.233 1.00 33.20 C ATOM 6 CG MET A 1 3.583 -8.248 23.389 1.00 52.42 C ATOM 7 SD MET A 1 3.563 -9.891 22.637 1.00 73.23 S ATOM 8 CE MET A 1 1.861 -10.396 22.914 1.00 5.33 C ATOM 0 H1 MET A 1 5.231 -6.419 25.611 1.00 41.45 H new ATOM 0 H2 MET A 1 4.732 -4.828 25.294 1.00 41.45 H new ATOM 0 H3 MET A 1 3.614 -6.103 25.199 1.00 41.45 H new ATOM 0 HA MET A 1 5.929 -5.597 23.424 1.00 43.33 H new ATOM 0 HB2 MET A 1 5.277 -7.642 22.202 1.00 33.20 H new ATOM 0 HB3 MET A 1 5.674 -8.034 23.863 1.00 33.20 H new ATOM 0 HG2 MET A 1 3.344 -8.336 24.449 1.00 52.42 H new ATOM 0 HG3 MET A 1 2.802 -7.637 22.936 1.00 52.42 H new ATOM 0 HE1 MET A 1 1.705 -11.393 22.501 1.00 5.33 H new ATOM 0 HE2 MET A 1 1.655 -10.411 23.984 1.00 5.33 H new ATOM 0 HE3 MET A 1 1.188 -9.691 22.425 1.00 5.33 H new ATOM 20 N THR A 2 3.348 -4.145 23.186 1.00 15.32 N ATOM 21 CA THR A 2 2.283 -3.405 22.468 1.00 53.44 C ATOM 22 C THR A 2 2.767 -2.849 21.103 1.00 61.23 C ATOM 23 O THR A 2 2.104 -3.068 20.077 1.00 11.32 O ATOM 24 CB THR A 2 1.723 -2.239 23.347 1.00 71.14 C ATOM 25 OG1 THR A 2 1.456 -2.720 24.676 1.00 40.03 O ATOM 26 CG2 THR A 2 0.432 -1.638 22.757 1.00 75.24 C ATOM 0 H THR A 2 3.584 -3.747 24.095 1.00 15.32 H new ATOM 0 HA THR A 2 1.486 -4.122 22.271 1.00 53.44 H new ATOM 0 HB THR A 2 2.479 -1.454 23.371 1.00 71.14 H new ATOM 0 HG1 THR A 2 1.107 -1.987 25.225 1.00 40.03 H new ATOM 0 HG21 THR A 2 0.079 -0.832 23.400 1.00 75.24 H new ATOM 0 HG22 THR A 2 0.636 -1.245 21.761 1.00 75.24 H new ATOM 0 HG23 THR A 2 -0.333 -2.412 22.692 1.00 75.24 H new ATOM 34 N SER A 3 3.941 -2.173 21.104 1.00 50.43 N ATOM 35 CA SER A 3 4.550 -1.623 19.873 1.00 33.40 C ATOM 36 C SER A 3 4.838 -2.749 18.865 1.00 51.42 C ATOM 37 O SER A 3 4.549 -2.611 17.682 1.00 25.23 O ATOM 38 CB SER A 3 5.852 -0.856 20.198 1.00 75.41 C ATOM 39 OG SER A 3 5.613 0.184 21.131 1.00 41.12 O ATOM 0 H SER A 3 4.485 -1.996 21.948 1.00 50.43 H new ATOM 0 HA SER A 3 3.840 -0.925 19.428 1.00 33.40 H new ATOM 0 HB2 SER A 3 6.593 -1.546 20.600 1.00 75.41 H new ATOM 0 HB3 SER A 3 6.270 -0.438 19.282 1.00 75.41 H new ATOM 0 HG SER A 3 6.453 0.652 21.321 1.00 41.12 H new ATOM 45 N THR A 4 5.366 -3.869 19.396 1.00 30.02 N ATOM 46 CA THR A 4 5.678 -5.090 18.636 1.00 30.23 C ATOM 47 C THR A 4 4.419 -5.649 17.922 1.00 73.55 C ATOM 48 O THR A 4 4.455 -5.918 16.717 1.00 42.33 O ATOM 49 CB THR A 4 6.301 -6.164 19.599 1.00 3.04 C ATOM 50 OG1 THR A 4 7.510 -5.640 20.187 1.00 21.30 O ATOM 51 CG2 THR A 4 6.596 -7.507 18.902 1.00 23.40 C ATOM 0 H THR A 4 5.592 -3.949 20.388 1.00 30.02 H new ATOM 0 HA THR A 4 6.404 -4.842 17.861 1.00 30.23 H new ATOM 0 HB THR A 4 5.559 -6.370 20.370 1.00 3.04 H new ATOM 0 HG1 THR A 4 7.898 -6.309 20.789 1.00 21.30 H new ATOM 0 HG21 THR A 4 7.025 -8.204 19.622 1.00 23.40 H new ATOM 0 HG22 THR A 4 5.670 -7.921 18.503 1.00 23.40 H new ATOM 0 HG23 THR A 4 7.302 -7.347 18.087 1.00 23.40 H new ATOM 59 N VAL A 5 3.301 -5.754 18.671 1.00 65.02 N ATOM 60 CA VAL A 5 2.027 -6.289 18.151 1.00 20.01 C ATOM 61 C VAL A 5 1.502 -5.401 17.012 1.00 53.03 C ATOM 62 O VAL A 5 1.362 -5.867 15.892 1.00 12.54 O ATOM 63 CB VAL A 5 0.933 -6.423 19.279 1.00 72.41 C ATOM 64 CG1 VAL A 5 -0.432 -6.863 18.691 1.00 20.04 C ATOM 65 CG2 VAL A 5 1.396 -7.406 20.375 1.00 64.32 C ATOM 0 H VAL A 5 3.257 -5.471 19.650 1.00 65.02 H new ATOM 0 HA VAL A 5 2.229 -7.290 17.769 1.00 20.01 H new ATOM 0 HB VAL A 5 0.800 -5.440 19.731 1.00 72.41 H new ATOM 0 HG11 VAL A 5 -1.164 -6.946 19.494 1.00 20.04 H new ATOM 0 HG12 VAL A 5 -0.771 -6.123 17.966 1.00 20.04 H new ATOM 0 HG13 VAL A 5 -0.322 -7.829 18.199 1.00 20.04 H new ATOM 0 HG21 VAL A 5 0.626 -7.483 21.143 1.00 64.32 H new ATOM 0 HG22 VAL A 5 1.569 -8.388 19.934 1.00 64.32 H new ATOM 0 HG23 VAL A 5 2.321 -7.042 20.823 1.00 64.32 H new ATOM 75 N GLU A 6 1.289 -4.111 17.315 1.00 12.14 N ATOM 76 CA GLU A 6 0.728 -3.129 16.359 1.00 12.03 C ATOM 77 C GLU A 6 1.550 -3.074 15.053 1.00 63.40 C ATOM 78 O GLU A 6 0.992 -3.099 13.948 1.00 52.14 O ATOM 79 CB GLU A 6 0.671 -1.730 17.020 1.00 5.13 C ATOM 80 CG GLU A 6 -0.265 -1.660 18.243 1.00 22.43 C ATOM 81 CD GLU A 6 -0.294 -0.283 18.914 1.00 73.51 C ATOM 82 OE1 GLU A 6 -1.230 0.507 18.656 1.00 73.12 O ATOM 83 OE2 GLU A 6 0.620 0.015 19.705 1.00 71.24 O ATOM 0 H GLU A 6 1.500 -3.713 18.230 1.00 12.14 H new ATOM 0 HA GLU A 6 -0.281 -3.448 16.097 1.00 12.03 H new ATOM 0 HB2 GLU A 6 1.677 -1.441 17.326 1.00 5.13 H new ATOM 0 HB3 GLU A 6 0.342 -1.001 16.279 1.00 5.13 H new ATOM 0 HG2 GLU A 6 -1.276 -1.925 17.932 1.00 22.43 H new ATOM 0 HG3 GLU A 6 0.050 -2.405 18.974 1.00 22.43 H new ATOM 90 N PHE A 7 2.879 -3.070 15.224 1.00 51.13 N ATOM 91 CA PHE A 7 3.855 -2.955 14.129 1.00 3.41 C ATOM 92 C PHE A 7 3.763 -4.173 13.182 1.00 2.11 C ATOM 93 O PHE A 7 3.424 -4.017 12.017 1.00 11.42 O ATOM 94 CB PHE A 7 5.273 -2.823 14.742 1.00 4.33 C ATOM 95 CG PHE A 7 6.354 -2.242 13.844 1.00 71.41 C ATOM 96 CD1 PHE A 7 7.476 -2.985 13.481 1.00 23.34 C ATOM 97 CD2 PHE A 7 6.271 -0.917 13.414 1.00 21.03 C ATOM 98 CE1 PHE A 7 8.481 -2.418 12.722 1.00 3.30 C ATOM 99 CE2 PHE A 7 7.272 -0.354 12.649 1.00 0.02 C ATOM 100 CZ PHE A 7 8.377 -1.103 12.307 1.00 50.12 C ATOM 0 H PHE A 7 3.315 -3.148 16.143 1.00 51.13 H new ATOM 0 HA PHE A 7 3.638 -2.070 13.532 1.00 3.41 H new ATOM 0 HB2 PHE A 7 5.201 -2.201 15.634 1.00 4.33 H new ATOM 0 HB3 PHE A 7 5.596 -3.812 15.068 1.00 4.33 H new ATOM 0 HD1 PHE A 7 7.560 -4.014 13.796 1.00 23.34 H new ATOM 0 HD2 PHE A 7 5.410 -0.323 13.684 1.00 21.03 H new ATOM 0 HE1 PHE A 7 9.349 -3.002 12.452 1.00 3.30 H new ATOM 0 HE2 PHE A 7 7.190 0.671 12.319 1.00 0.02 H new ATOM 0 HZ PHE A 7 9.164 -0.662 11.713 1.00 50.12 H new ATOM 110 N ILE A 8 3.996 -5.383 13.734 1.00 62.33 N ATOM 111 CA ILE A 8 4.039 -6.646 12.955 1.00 25.41 C ATOM 112 C ILE A 8 2.660 -6.984 12.342 1.00 51.21 C ATOM 113 O ILE A 8 2.568 -7.335 11.165 1.00 52.31 O ATOM 114 CB ILE A 8 4.521 -7.842 13.860 1.00 23.41 C ATOM 115 CG1 ILE A 8 5.927 -7.550 14.463 1.00 52.11 C ATOM 116 CG2 ILE A 8 4.527 -9.184 13.085 1.00 5.32 C ATOM 117 CD1 ILE A 8 6.389 -8.566 15.487 1.00 64.04 C ATOM 0 H ILE A 8 4.160 -5.515 14.732 1.00 62.33 H new ATOM 0 HA ILE A 8 4.750 -6.499 12.142 1.00 25.41 H new ATOM 0 HB ILE A 8 3.807 -7.938 14.678 1.00 23.41 H new ATOM 0 HG12 ILE A 8 6.656 -7.510 13.653 1.00 52.11 H new ATOM 0 HG13 ILE A 8 5.913 -6.564 14.927 1.00 52.11 H new ATOM 0 HG21 ILE A 8 4.865 -9.983 13.744 1.00 5.32 H new ATOM 0 HG22 ILE A 8 3.519 -9.406 12.734 1.00 5.32 H new ATOM 0 HG23 ILE A 8 5.201 -9.108 12.231 1.00 5.32 H new ATOM 0 HD11 ILE A 8 7.376 -8.288 15.856 1.00 64.04 H new ATOM 0 HD12 ILE A 8 5.685 -8.591 16.318 1.00 64.04 H new ATOM 0 HD13 ILE A 8 6.439 -9.552 15.025 1.00 64.04 H new ATOM 129 N ASN A 9 1.600 -6.847 13.159 1.00 34.41 N ATOM 130 CA ASN A 9 0.215 -7.195 12.770 1.00 65.43 C ATOM 131 C ASN A 9 -0.308 -6.271 11.660 1.00 55.12 C ATOM 132 O ASN A 9 -1.008 -6.735 10.751 1.00 10.22 O ATOM 133 CB ASN A 9 -0.737 -7.156 14.000 1.00 52.11 C ATOM 134 CG ASN A 9 -0.639 -8.409 14.877 1.00 71.20 C ATOM 135 OD1 ASN A 9 -1.490 -9.293 14.811 1.00 52.01 O ATOM 136 ND2 ASN A 9 0.428 -8.531 15.655 1.00 31.04 N ATOM 0 H ASN A 9 1.677 -6.491 14.112 1.00 34.41 H new ATOM 0 HA ASN A 9 0.235 -8.212 12.379 1.00 65.43 H new ATOM 0 HB2 ASN A 9 -0.505 -6.278 14.604 1.00 52.11 H new ATOM 0 HB3 ASN A 9 -1.764 -7.042 13.653 1.00 52.11 H new ATOM 0 HD21 ASN A 9 0.556 -9.373 16.216 1.00 31.04 H new ATOM 0 HD22 ASN A 9 1.120 -7.783 15.692 1.00 31.04 H new ATOM 143 N ARG A 10 0.021 -4.965 11.733 1.00 61.30 N ATOM 144 CA ARG A 10 -0.444 -3.998 10.717 1.00 31.54 C ATOM 145 C ARG A 10 0.483 -3.938 9.501 1.00 24.01 C ATOM 146 O ARG A 10 0.021 -3.571 8.432 1.00 24.40 O ATOM 147 CB ARG A 10 -0.702 -2.606 11.325 1.00 12.34 C ATOM 148 CG ARG A 10 -1.879 -2.619 12.318 1.00 13.43 C ATOM 149 CD ARG A 10 -2.239 -1.239 12.859 1.00 60.13 C ATOM 150 NE ARG A 10 -1.143 -0.624 13.629 1.00 3.22 N ATOM 151 CZ ARG A 10 -1.307 0.309 14.584 1.00 61.41 C ATOM 152 NH1 ARG A 10 -2.520 0.742 14.921 1.00 11.32 N ATOM 153 NH2 ARG A 10 -0.255 0.833 15.180 1.00 63.25 N ATOM 0 H ARG A 10 0.597 -4.560 12.471 1.00 61.30 H new ATOM 0 HA ARG A 10 -1.403 -4.365 10.351 1.00 31.54 H new ATOM 0 HB2 ARG A 10 0.198 -2.260 11.834 1.00 12.34 H new ATOM 0 HB3 ARG A 10 -0.910 -1.894 10.526 1.00 12.34 H new ATOM 0 HG2 ARG A 10 -2.753 -3.046 11.826 1.00 13.43 H new ATOM 0 HG3 ARG A 10 -1.631 -3.274 13.153 1.00 13.43 H new ATOM 0 HD2 ARG A 10 -2.504 -0.586 12.028 1.00 60.13 H new ATOM 0 HD3 ARG A 10 -3.121 -1.321 13.494 1.00 60.13 H new ATOM 0 HE ARG A 10 -0.191 -0.928 13.423 1.00 3.22 H new ATOM 0 HH11 ARG A 10 -3.344 0.366 14.453 1.00 11.32 H new ATOM 0 HH12 ARG A 10 -2.625 1.450 15.648 1.00 11.32 H new ATOM 0 HH21 ARG A 10 0.683 0.531 14.917 1.00 63.25 H new ATOM 0 HH22 ARG A 10 -0.379 1.541 15.904 1.00 63.25 H new ATOM 167 N TRP A 11 1.770 -4.327 9.647 1.00 22.02 N ATOM 168 CA TRP A 11 2.647 -4.563 8.469 1.00 55.11 C ATOM 169 C TRP A 11 2.101 -5.742 7.663 1.00 24.04 C ATOM 170 O TRP A 11 2.073 -5.707 6.425 1.00 43.43 O ATOM 171 CB TRP A 11 4.138 -4.830 8.850 1.00 44.01 C ATOM 172 CG TRP A 11 4.962 -3.579 9.032 1.00 13.12 C ATOM 173 CD1 TRP A 11 5.682 -3.224 10.125 1.00 0.05 C ATOM 174 CD2 TRP A 11 5.138 -2.515 8.080 1.00 44.23 C ATOM 175 NE1 TRP A 11 6.288 -2.016 9.919 1.00 11.11 N ATOM 176 CE2 TRP A 11 5.974 -1.560 8.677 1.00 71.35 C ATOM 177 CE3 TRP A 11 4.673 -2.282 6.780 1.00 60.12 C ATOM 178 CZ2 TRP A 11 6.355 -0.389 8.033 1.00 44.41 C ATOM 179 CZ3 TRP A 11 5.047 -1.120 6.144 1.00 10.34 C ATOM 180 CH2 TRP A 11 5.879 -0.184 6.772 1.00 60.33 C ATOM 0 H TRP A 11 2.221 -4.483 10.548 1.00 22.02 H new ATOM 0 HA TRP A 11 2.638 -3.649 7.875 1.00 55.11 H new ATOM 0 HB2 TRP A 11 4.168 -5.409 9.773 1.00 44.01 H new ATOM 0 HB3 TRP A 11 4.596 -5.444 8.074 1.00 44.01 H new ATOM 0 HD1 TRP A 11 5.765 -3.811 11.028 1.00 0.05 H new ATOM 0 HE1 TRP A 11 6.883 -1.532 10.592 1.00 11.11 H new ATOM 0 HE3 TRP A 11 4.034 -2.999 6.286 1.00 60.12 H new ATOM 0 HZ2 TRP A 11 7.003 0.330 8.512 1.00 44.41 H new ATOM 0 HZ3 TRP A 11 4.693 -0.926 5.142 1.00 10.34 H new ATOM 0 HH2 TRP A 11 6.149 0.720 6.246 1.00 60.33 H new ATOM 191 N GLN A 12 1.671 -6.781 8.400 1.00 2.12 N ATOM 192 CA GLN A 12 1.014 -7.956 7.830 1.00 2.25 C ATOM 193 C GLN A 12 -0.271 -7.538 7.116 1.00 2.43 C ATOM 194 O GLN A 12 -0.481 -7.921 5.979 1.00 73.24 O ATOM 195 CB GLN A 12 0.707 -8.997 8.933 1.00 54.43 C ATOM 196 CG GLN A 12 0.048 -10.295 8.424 1.00 13.33 C ATOM 197 CD GLN A 12 -0.251 -11.302 9.531 1.00 31.41 C ATOM 198 OE1 GLN A 12 -0.497 -10.932 10.681 1.00 4.02 O ATOM 199 NE2 GLN A 12 -0.239 -12.577 9.197 1.00 44.25 N ATOM 0 H GLN A 12 1.773 -6.823 9.414 1.00 2.12 H new ATOM 0 HA GLN A 12 1.686 -8.417 7.106 1.00 2.25 H new ATOM 0 HB2 GLN A 12 1.636 -9.252 9.442 1.00 54.43 H new ATOM 0 HB3 GLN A 12 0.052 -8.539 9.675 1.00 54.43 H new ATOM 0 HG2 GLN A 12 -0.881 -10.044 7.911 1.00 13.33 H new ATOM 0 HG3 GLN A 12 0.703 -10.761 7.688 1.00 13.33 H new ATOM 0 HE21 GLN A 12 -0.032 -12.851 8.236 1.00 44.25 H new ATOM 0 HE22 GLN A 12 -0.437 -13.290 9.899 1.00 44.25 H new ATOM 208 N ARG A 13 -1.081 -6.691 7.790 1.00 74.42 N ATOM 209 CA ARG A 13 -2.371 -6.206 7.261 1.00 20.12 C ATOM 210 C ARG A 13 -2.176 -5.451 5.930 1.00 51.22 C ATOM 211 O ARG A 13 -2.942 -5.640 4.998 1.00 52.24 O ATOM 212 CB ARG A 13 -3.073 -5.306 8.315 1.00 23.54 C ATOM 213 CG ARG A 13 -4.549 -4.985 8.002 1.00 41.32 C ATOM 214 CD ARG A 13 -5.238 -4.187 9.122 1.00 63.53 C ATOM 215 NE ARG A 13 -6.697 -4.094 8.911 1.00 23.22 N ATOM 216 CZ ARG A 13 -7.640 -4.455 9.803 1.00 21.43 C ATOM 217 NH1 ARG A 13 -7.306 -4.957 10.995 1.00 4.21 N ATOM 218 NH2 ARG A 13 -8.921 -4.312 9.489 1.00 23.12 N ATOM 0 H ARG A 13 -0.857 -6.326 8.716 1.00 74.42 H new ATOM 0 HA ARG A 13 -3.009 -7.067 7.059 1.00 20.12 H new ATOM 0 HB2 ARG A 13 -3.019 -5.797 9.287 1.00 23.54 H new ATOM 0 HB3 ARG A 13 -2.521 -4.370 8.400 1.00 23.54 H new ATOM 0 HG2 ARG A 13 -4.603 -4.418 7.073 1.00 41.32 H new ATOM 0 HG3 ARG A 13 -5.092 -5.916 7.839 1.00 41.32 H new ATOM 0 HD2 ARG A 13 -5.039 -4.663 10.082 1.00 63.53 H new ATOM 0 HD3 ARG A 13 -4.813 -3.184 9.169 1.00 63.53 H new ATOM 0 HE ARG A 13 -7.017 -3.726 8.015 1.00 23.22 H new ATOM 0 HH11 ARG A 13 -6.323 -5.072 11.243 1.00 4.21 H new ATOM 0 HH12 ARG A 13 -8.034 -5.225 11.658 1.00 4.21 H new ATOM 0 HH21 ARG A 13 -9.184 -3.932 8.580 1.00 23.12 H new ATOM 0 HH22 ARG A 13 -9.643 -4.582 10.157 1.00 23.12 H new ATOM 232 N ILE A 14 -1.105 -4.642 5.860 1.00 45.34 N ATOM 233 CA ILE A 14 -0.732 -3.866 4.652 1.00 34.14 C ATOM 234 C ILE A 14 -0.262 -4.800 3.520 1.00 44.04 C ATOM 235 O ILE A 14 -0.580 -4.570 2.361 1.00 15.11 O ATOM 236 CB ILE A 14 0.381 -2.811 5.007 1.00 33.10 C ATOM 237 CG1 ILE A 14 -0.173 -1.775 6.013 1.00 70.35 C ATOM 238 CG2 ILE A 14 0.953 -2.083 3.771 1.00 72.54 C ATOM 239 CD1 ILE A 14 0.879 -0.877 6.611 1.00 31.50 C ATOM 0 H ILE A 14 -0.466 -4.503 6.643 1.00 45.34 H new ATOM 0 HA ILE A 14 -1.615 -3.333 4.298 1.00 34.14 H new ATOM 0 HB ILE A 14 1.205 -3.369 5.452 1.00 33.10 H new ATOM 0 HG12 ILE A 14 -0.919 -1.159 5.511 1.00 70.35 H new ATOM 0 HG13 ILE A 14 -0.685 -2.303 6.817 1.00 70.35 H new ATOM 0 HG21 ILE A 14 1.715 -1.371 4.088 1.00 72.54 H new ATOM 0 HG22 ILE A 14 1.398 -2.812 3.093 1.00 72.54 H new ATOM 0 HG23 ILE A 14 0.151 -1.552 3.258 1.00 72.54 H new ATOM 0 HD11 ILE A 14 0.410 -0.180 7.305 1.00 31.50 H new ATOM 0 HD12 ILE A 14 1.613 -1.481 7.144 1.00 31.50 H new ATOM 0 HD13 ILE A 14 1.376 -0.320 5.817 1.00 31.50 H new ATOM 251 N ALA A 15 0.478 -5.862 3.880 1.00 11.30 N ATOM 252 CA ALA A 15 0.951 -6.880 2.916 1.00 12.32 C ATOM 253 C ALA A 15 -0.242 -7.653 2.303 1.00 35.43 C ATOM 254 O ALA A 15 -0.304 -7.882 1.087 1.00 45.50 O ATOM 255 CB ALA A 15 1.926 -7.840 3.608 1.00 43.21 C ATOM 0 H ALA A 15 0.766 -6.042 4.842 1.00 11.30 H new ATOM 0 HA ALA A 15 1.474 -6.377 2.103 1.00 12.32 H new ATOM 0 HB1 ALA A 15 2.270 -8.587 2.893 1.00 43.21 H new ATOM 0 HB2 ALA A 15 2.781 -7.280 3.987 1.00 43.21 H new ATOM 0 HB3 ALA A 15 1.421 -8.337 4.436 1.00 43.21 H new ATOM 261 N LEU A 16 -1.197 -8.009 3.186 1.00 64.20 N ATOM 262 CA LEU A 16 -2.439 -8.719 2.832 1.00 42.34 C ATOM 263 C LEU A 16 -3.289 -7.855 1.887 1.00 20.04 C ATOM 264 O LEU A 16 -3.699 -8.304 0.812 1.00 42.34 O ATOM 265 CB LEU A 16 -3.238 -9.064 4.125 1.00 31.12 C ATOM 266 CG LEU A 16 -2.543 -10.039 5.133 1.00 53.52 C ATOM 267 CD1 LEU A 16 -3.315 -10.115 6.469 1.00 74.02 C ATOM 268 CD2 LEU A 16 -2.341 -11.438 4.520 1.00 35.34 C ATOM 0 H LEU A 16 -1.123 -7.806 4.183 1.00 64.20 H new ATOM 0 HA LEU A 16 -2.187 -9.647 2.319 1.00 42.34 H new ATOM 0 HB2 LEU A 16 -3.460 -8.134 4.648 1.00 31.12 H new ATOM 0 HB3 LEU A 16 -4.193 -9.500 3.831 1.00 31.12 H new ATOM 0 HG LEU A 16 -1.555 -9.633 5.348 1.00 53.52 H new ATOM 0 HD11 LEU A 16 -2.805 -10.801 7.145 1.00 74.02 H new ATOM 0 HD12 LEU A 16 -3.358 -9.124 6.921 1.00 74.02 H new ATOM 0 HD13 LEU A 16 -4.328 -10.474 6.284 1.00 74.02 H new ATOM 0 HD21 LEU A 16 -1.856 -12.088 5.248 1.00 35.34 H new ATOM 0 HD22 LEU A 16 -3.309 -11.858 4.246 1.00 35.34 H new ATOM 0 HD23 LEU A 16 -1.715 -11.359 3.631 1.00 35.34 H new ATOM 280 N LEU A 17 -3.486 -6.592 2.295 1.00 60.00 N ATOM 281 CA LEU A 17 -4.252 -5.600 1.535 1.00 34.12 C ATOM 282 C LEU A 17 -3.601 -5.323 0.173 1.00 62.02 C ATOM 283 O LEU A 17 -4.292 -5.318 -0.819 1.00 40.43 O ATOM 284 CB LEU A 17 -4.407 -4.286 2.348 1.00 54.54 C ATOM 285 CG LEU A 17 -5.430 -4.323 3.526 1.00 34.34 C ATOM 286 CD1 LEU A 17 -5.262 -3.099 4.451 1.00 2.34 C ATOM 287 CD2 LEU A 17 -6.873 -4.431 2.990 1.00 42.14 C ATOM 0 H LEU A 17 -3.112 -6.230 3.172 1.00 60.00 H new ATOM 0 HA LEU A 17 -5.245 -6.010 1.354 1.00 34.12 H new ATOM 0 HB2 LEU A 17 -3.431 -4.014 2.750 1.00 54.54 H new ATOM 0 HB3 LEU A 17 -4.702 -3.491 1.663 1.00 54.54 H new ATOM 0 HG LEU A 17 -5.227 -5.211 4.124 1.00 34.34 H new ATOM 0 HD11 LEU A 17 -5.988 -3.153 5.262 1.00 2.34 H new ATOM 0 HD12 LEU A 17 -4.254 -3.093 4.866 1.00 2.34 H new ATOM 0 HD13 LEU A 17 -5.424 -2.186 3.879 1.00 2.34 H new ATOM 0 HD21 LEU A 17 -7.571 -4.455 3.827 1.00 42.14 H new ATOM 0 HD22 LEU A 17 -7.092 -3.569 2.359 1.00 42.14 H new ATOM 0 HD23 LEU A 17 -6.976 -5.345 2.405 1.00 42.14 H new ATOM 299 N SER A 18 -2.270 -5.156 0.135 1.00 2.30 N ATOM 300 CA SER A 18 -1.552 -4.777 -1.098 1.00 31.24 C ATOM 301 C SER A 18 -1.615 -5.894 -2.151 1.00 61.12 C ATOM 302 O SER A 18 -1.845 -5.606 -3.328 1.00 51.24 O ATOM 303 CB SER A 18 -0.088 -4.407 -0.803 1.00 72.20 C ATOM 304 OG SER A 18 0.595 -5.464 -0.157 1.00 73.14 O ATOM 0 H SER A 18 -1.664 -5.278 0.947 1.00 2.30 H new ATOM 0 HA SER A 18 -2.054 -3.898 -1.502 1.00 31.24 H new ATOM 0 HB2 SER A 18 0.421 -4.160 -1.735 1.00 72.20 H new ATOM 0 HB3 SER A 18 -0.056 -3.516 -0.177 1.00 72.20 H new ATOM 0 HG SER A 18 -0.055 -6.117 0.178 1.00 73.14 H new ATOM 310 N GLN A 19 -1.412 -7.166 -1.724 1.00 50.34 N ATOM 311 CA GLN A 19 -1.484 -8.324 -2.649 1.00 43.30 C ATOM 312 C GLN A 19 -2.928 -8.544 -3.152 1.00 21.12 C ATOM 313 O GLN A 19 -3.141 -8.847 -4.342 1.00 31.32 O ATOM 314 CB GLN A 19 -0.902 -9.617 -2.007 1.00 31.24 C ATOM 315 CG GLN A 19 -1.679 -10.174 -0.795 1.00 52.12 C ATOM 316 CD GLN A 19 -1.028 -11.407 -0.160 1.00 54.22 C ATOM 317 OE1 GLN A 19 -1.252 -11.609 1.131 1.00 71.12 O flip ATOM 318 NE2 GLN A 19 -0.345 -12.186 -0.827 1.00 41.14 N flip ATOM 0 H GLN A 19 -1.200 -7.413 -0.757 1.00 50.34 H new ATOM 0 HA GLN A 19 -0.861 -8.090 -3.512 1.00 43.30 H new ATOM 0 HB2 GLN A 19 -0.857 -10.391 -2.773 1.00 31.24 H new ATOM 0 HB3 GLN A 19 0.123 -9.416 -1.696 1.00 31.24 H new ATOM 0 HG2 GLN A 19 -1.768 -9.392 -0.041 1.00 52.12 H new ATOM 0 HG3 GLN A 19 -2.691 -10.430 -1.110 1.00 52.12 H new ATOM 0 HE21 GLN A 19 -0.189 -12.006 -1.819 1.00 41.14 H new ATOM 0 HE22 GLN A 19 0.064 -13.011 -0.387 1.00 41.14 H new ATOM 327 N SER A 20 -3.911 -8.339 -2.241 1.00 42.03 N ATOM 328 CA SER A 20 -5.341 -8.419 -2.580 1.00 53.33 C ATOM 329 C SER A 20 -5.685 -7.372 -3.655 1.00 21.25 C ATOM 330 O SER A 20 -6.039 -7.727 -4.773 1.00 44.51 O ATOM 331 CB SER A 20 -6.210 -8.209 -1.316 1.00 51.44 C ATOM 332 OG SER A 20 -6.023 -9.252 -0.372 1.00 31.53 O ATOM 0 H SER A 20 -3.731 -8.116 -1.262 1.00 42.03 H new ATOM 0 HA SER A 20 -5.554 -9.411 -2.977 1.00 53.33 H new ATOM 0 HB2 SER A 20 -5.959 -7.253 -0.857 1.00 51.44 H new ATOM 0 HB3 SER A 20 -7.261 -8.160 -1.601 1.00 51.44 H new ATOM 0 HG SER A 20 -5.215 -9.076 0.154 1.00 31.53 H new ATOM 338 N LEU A 21 -5.456 -6.090 -3.300 1.00 31.33 N ATOM 339 CA LEU A 21 -5.694 -4.903 -4.147 1.00 11.54 C ATOM 340 C LEU A 21 -4.939 -4.994 -5.477 1.00 74.30 C ATOM 341 O LEU A 21 -5.409 -4.467 -6.488 1.00 72.03 O ATOM 342 CB LEU A 21 -5.287 -3.608 -3.372 1.00 10.23 C ATOM 343 CG LEU A 21 -6.197 -3.243 -2.151 1.00 42.00 C ATOM 344 CD1 LEU A 21 -5.489 -2.281 -1.170 1.00 70.52 C ATOM 345 CD2 LEU A 21 -7.535 -2.660 -2.629 1.00 21.21 C ATOM 0 H LEU A 21 -5.087 -5.845 -2.381 1.00 31.33 H new ATOM 0 HA LEU A 21 -6.758 -4.863 -4.381 1.00 11.54 H new ATOM 0 HB2 LEU A 21 -4.262 -3.723 -3.018 1.00 10.23 H new ATOM 0 HB3 LEU A 21 -5.291 -2.771 -4.070 1.00 10.23 H new ATOM 0 HG LEU A 21 -6.398 -4.164 -1.604 1.00 42.00 H new ATOM 0 HD11 LEU A 21 -6.156 -2.054 -0.338 1.00 70.52 H new ATOM 0 HD12 LEU A 21 -4.582 -2.751 -0.790 1.00 70.52 H new ATOM 0 HD13 LEU A 21 -5.229 -1.358 -1.689 1.00 70.52 H new ATOM 0 HD21 LEU A 21 -8.153 -2.413 -1.766 1.00 21.21 H new ATOM 0 HD22 LEU A 21 -7.351 -1.759 -3.214 1.00 21.21 H new ATOM 0 HD23 LEU A 21 -8.052 -3.394 -3.247 1.00 21.21 H new ATOM 357 N LEU A 22 -3.773 -5.680 -5.461 1.00 11.35 N ATOM 358 CA LEU A 22 -2.959 -5.905 -6.664 1.00 11.23 C ATOM 359 C LEU A 22 -3.700 -6.817 -7.647 1.00 42.32 C ATOM 360 O LEU A 22 -3.822 -6.479 -8.828 1.00 35.24 O ATOM 361 CB LEU A 22 -1.586 -6.527 -6.317 1.00 21.24 C ATOM 362 CG LEU A 22 -0.678 -6.859 -7.539 1.00 71.35 C ATOM 363 CD1 LEU A 22 -0.425 -5.602 -8.398 1.00 63.24 C ATOM 364 CD2 LEU A 22 0.633 -7.530 -7.094 1.00 41.25 C ATOM 0 H LEU A 22 -3.377 -6.089 -4.615 1.00 11.35 H new ATOM 0 HA LEU A 22 -2.787 -4.933 -7.126 1.00 11.23 H new ATOM 0 HB2 LEU A 22 -1.049 -5.840 -5.662 1.00 21.24 H new ATOM 0 HB3 LEU A 22 -1.753 -7.443 -5.750 1.00 21.24 H new ATOM 0 HG LEU A 22 -1.205 -7.578 -8.167 1.00 71.35 H new ATOM 0 HD11 LEU A 22 0.211 -5.862 -9.244 1.00 63.24 H new ATOM 0 HD12 LEU A 22 -1.376 -5.214 -8.764 1.00 63.24 H new ATOM 0 HD13 LEU A 22 0.068 -4.841 -7.793 1.00 63.24 H new ATOM 0 HD21 LEU A 22 1.245 -7.749 -7.969 1.00 41.25 H new ATOM 0 HD22 LEU A 22 1.178 -6.859 -6.429 1.00 41.25 H new ATOM 0 HD23 LEU A 22 0.407 -8.457 -6.568 1.00 41.25 H new ATOM 376 N GLU A 23 -4.185 -7.971 -7.139 1.00 53.41 N ATOM 377 CA GLU A 23 -4.960 -8.941 -7.951 1.00 51.42 C ATOM 378 C GLU A 23 -6.235 -8.285 -8.506 1.00 50.25 C ATOM 379 O GLU A 23 -6.604 -8.511 -9.660 1.00 23.02 O ATOM 380 CB GLU A 23 -5.328 -10.194 -7.118 1.00 45.11 C ATOM 381 CG GLU A 23 -4.120 -11.032 -6.677 1.00 45.44 C ATOM 382 CD GLU A 23 -4.530 -12.225 -5.810 1.00 54.44 C ATOM 383 OE1 GLU A 23 -4.729 -13.337 -6.349 1.00 2.14 O ATOM 384 OE2 GLU A 23 -4.685 -12.048 -4.585 1.00 23.14 O ATOM 0 H GLU A 23 -4.054 -8.256 -6.168 1.00 53.41 H new ATOM 0 HA GLU A 23 -4.333 -9.254 -8.786 1.00 51.42 H new ATOM 0 HB2 GLU A 23 -5.880 -9.879 -6.233 1.00 45.11 H new ATOM 0 HB3 GLU A 23 -5.998 -10.823 -7.705 1.00 45.11 H new ATOM 0 HG2 GLU A 23 -3.588 -11.391 -7.558 1.00 45.44 H new ATOM 0 HG3 GLU A 23 -3.426 -10.402 -6.120 1.00 45.44 H new ATOM 391 N LEU A 24 -6.876 -7.453 -7.662 1.00 41.55 N ATOM 392 CA LEU A 24 -8.106 -6.720 -8.019 1.00 61.53 C ATOM 393 C LEU A 24 -7.832 -5.738 -9.170 1.00 50.01 C ATOM 394 O LEU A 24 -8.575 -5.700 -10.144 1.00 62.34 O ATOM 395 CB LEU A 24 -8.662 -5.959 -6.788 1.00 42.34 C ATOM 396 CG LEU A 24 -8.923 -6.812 -5.517 1.00 73.50 C ATOM 397 CD1 LEU A 24 -9.367 -5.940 -4.330 1.00 23.14 C ATOM 398 CD2 LEU A 24 -9.914 -7.953 -5.791 1.00 55.22 C ATOM 0 H LEU A 24 -6.554 -7.270 -6.711 1.00 41.55 H new ATOM 0 HA LEU A 24 -8.852 -7.443 -8.347 1.00 61.53 H new ATOM 0 HB2 LEU A 24 -7.961 -5.165 -6.530 1.00 42.34 H new ATOM 0 HB3 LEU A 24 -9.597 -5.478 -7.076 1.00 42.34 H new ATOM 0 HG LEU A 24 -7.976 -7.274 -5.238 1.00 73.50 H new ATOM 0 HD11 LEU A 24 -9.540 -6.572 -3.459 1.00 23.14 H new ATOM 0 HD12 LEU A 24 -8.588 -5.213 -4.101 1.00 23.14 H new ATOM 0 HD13 LEU A 24 -10.288 -5.417 -4.587 1.00 23.14 H new ATOM 0 HD21 LEU A 24 -10.070 -8.527 -4.877 1.00 55.22 H new ATOM 0 HD22 LEU A 24 -10.864 -7.537 -6.125 1.00 55.22 H new ATOM 0 HD23 LEU A 24 -9.512 -8.606 -6.565 1.00 55.22 H new ATOM 410 N ALA A 25 -6.720 -4.989 -9.047 1.00 74.44 N ATOM 411 CA ALA A 25 -6.262 -4.036 -10.075 1.00 45.13 C ATOM 412 C ALA A 25 -5.948 -4.756 -11.404 1.00 14.23 C ATOM 413 O ALA A 25 -6.248 -4.247 -12.491 1.00 35.22 O ATOM 414 CB ALA A 25 -5.029 -3.272 -9.571 1.00 54.24 C ATOM 0 H ALA A 25 -6.112 -5.028 -8.229 1.00 74.44 H new ATOM 0 HA ALA A 25 -7.066 -3.325 -10.265 1.00 45.13 H new ATOM 0 HB1 ALA A 25 -4.698 -2.570 -10.337 1.00 54.24 H new ATOM 0 HB2 ALA A 25 -5.286 -2.725 -8.664 1.00 54.24 H new ATOM 0 HB3 ALA A 25 -4.227 -3.978 -9.354 1.00 54.24 H new ATOM 420 N GLN A 26 -5.346 -5.955 -11.285 1.00 72.32 N ATOM 421 CA GLN A 26 -5.037 -6.832 -12.430 1.00 51.03 C ATOM 422 C GLN A 26 -6.323 -7.411 -13.070 1.00 4.45 C ATOM 423 O GLN A 26 -6.326 -7.745 -14.258 1.00 23.30 O ATOM 424 CB GLN A 26 -4.055 -7.960 -11.994 1.00 20.12 C ATOM 425 CG GLN A 26 -2.619 -7.463 -11.716 1.00 32.43 C ATOM 426 CD GLN A 26 -1.610 -8.560 -11.358 1.00 34.22 C ATOM 427 OE1 GLN A 26 -1.760 -9.724 -11.739 1.00 23.11 O ATOM 428 NE2 GLN A 26 -0.539 -8.175 -10.682 1.00 31.51 N ATOM 0 H GLN A 26 -5.059 -6.344 -10.387 1.00 72.32 H new ATOM 0 HA GLN A 26 -4.548 -6.231 -13.197 1.00 51.03 H new ATOM 0 HB2 GLN A 26 -4.444 -8.440 -11.096 1.00 20.12 H new ATOM 0 HB3 GLN A 26 -4.022 -8.721 -12.773 1.00 20.12 H new ATOM 0 HG2 GLN A 26 -2.258 -6.932 -12.597 1.00 32.43 H new ATOM 0 HG3 GLN A 26 -2.652 -6.741 -10.900 1.00 32.43 H new ATOM 0 HE21 GLN A 26 -0.447 -7.204 -10.382 1.00 31.51 H new ATOM 0 HE22 GLN A 26 0.194 -8.849 -10.461 1.00 31.51 H new ATOM 437 N ARG A 27 -7.410 -7.523 -12.285 1.00 12.14 N ATOM 438 CA ARG A 27 -8.743 -7.939 -12.801 1.00 64.44 C ATOM 439 C ARG A 27 -9.621 -6.729 -13.191 1.00 63.31 C ATOM 440 O ARG A 27 -10.757 -6.910 -13.647 1.00 63.25 O ATOM 441 CB ARG A 27 -9.485 -8.813 -11.759 1.00 42.13 C ATOM 442 CG ARG A 27 -8.765 -10.121 -11.390 1.00 24.45 C ATOM 443 CD ARG A 27 -8.643 -11.102 -12.568 1.00 53.10 C ATOM 444 NE ARG A 27 -7.777 -12.236 -12.229 1.00 11.21 N ATOM 445 CZ ARG A 27 -7.589 -13.324 -12.989 1.00 42.22 C ATOM 446 NH1 ARG A 27 -8.198 -13.460 -14.167 1.00 44.42 N ATOM 447 NH2 ARG A 27 -6.761 -14.263 -12.563 1.00 32.14 N ATOM 0 H ARG A 27 -7.399 -7.331 -11.283 1.00 12.14 H new ATOM 0 HA ARG A 27 -8.565 -8.525 -13.703 1.00 64.44 H new ATOM 0 HB2 ARG A 27 -9.633 -8.227 -10.852 1.00 42.13 H new ATOM 0 HB3 ARG A 27 -10.475 -9.055 -12.146 1.00 42.13 H new ATOM 0 HG2 ARG A 27 -7.768 -9.886 -11.017 1.00 24.45 H new ATOM 0 HG3 ARG A 27 -9.303 -10.607 -10.576 1.00 24.45 H new ATOM 0 HD2 ARG A 27 -9.632 -11.467 -12.844 1.00 53.10 H new ATOM 0 HD3 ARG A 27 -8.241 -10.582 -13.437 1.00 53.10 H new ATOM 0 HE ARG A 27 -7.276 -12.193 -11.341 1.00 11.21 H new ATOM 0 HH11 ARG A 27 -8.822 -12.728 -14.506 1.00 44.42 H new ATOM 0 HH12 ARG A 27 -8.040 -14.296 -14.729 1.00 44.42 H new ATOM 0 HH21 ARG A 27 -6.279 -14.152 -11.671 1.00 32.14 H new ATOM 0 HH22 ARG A 27 -6.604 -15.099 -13.127 1.00 32.14 H new ATOM 461 N GLY A 28 -9.097 -5.504 -12.999 1.00 5.45 N ATOM 462 CA GLY A 28 -9.818 -4.271 -13.358 1.00 62.32 C ATOM 463 C GLY A 28 -10.929 -3.881 -12.374 1.00 44.41 C ATOM 464 O GLY A 28 -11.767 -3.024 -12.686 1.00 34.12 O ATOM 0 H GLY A 28 -8.174 -5.343 -12.596 1.00 5.45 H new ATOM 0 HA2 GLY A 28 -9.102 -3.451 -13.424 1.00 62.32 H new ATOM 0 HA3 GLY A 28 -10.253 -4.394 -14.350 1.00 62.32 H new ATOM 468 N GLU A 29 -10.927 -4.511 -11.187 1.00 20.55 N ATOM 469 CA GLU A 29 -11.921 -4.289 -10.118 1.00 63.53 C ATOM 470 C GLU A 29 -11.570 -3.007 -9.323 1.00 35.12 C ATOM 471 O GLU A 29 -11.048 -3.084 -8.206 1.00 53.13 O ATOM 472 CB GLU A 29 -11.970 -5.545 -9.187 1.00 63.40 C ATOM 473 CG GLU A 29 -12.221 -6.872 -9.936 1.00 3.44 C ATOM 474 CD GLU A 29 -12.202 -8.116 -9.024 1.00 4.24 C ATOM 475 OE1 GLU A 29 -11.124 -8.718 -8.827 1.00 72.45 O ATOM 476 OE2 GLU A 29 -13.270 -8.500 -8.495 1.00 3.51 O ATOM 0 H GLU A 29 -10.221 -5.203 -10.937 1.00 20.55 H new ATOM 0 HA GLU A 29 -12.909 -4.146 -10.555 1.00 63.53 H new ATOM 0 HB2 GLU A 29 -11.028 -5.619 -8.644 1.00 63.40 H new ATOM 0 HB3 GLU A 29 -12.756 -5.404 -8.445 1.00 63.40 H new ATOM 0 HG2 GLU A 29 -13.186 -6.817 -10.439 1.00 3.44 H new ATOM 0 HG3 GLU A 29 -11.464 -6.990 -10.711 1.00 3.44 H new ATOM 483 N TRP A 30 -11.847 -1.825 -9.922 1.00 1.30 N ATOM 484 CA TRP A 30 -11.423 -0.518 -9.362 1.00 14.53 C ATOM 485 C TRP A 30 -12.210 -0.164 -8.087 1.00 10.04 C ATOM 486 O TRP A 30 -11.666 0.459 -7.182 1.00 31.25 O ATOM 487 CB TRP A 30 -11.596 0.634 -10.393 1.00 64.34 C ATOM 488 CG TRP A 30 -11.047 0.374 -11.789 1.00 4.15 C ATOM 489 CD1 TRP A 30 -11.680 0.668 -12.966 1.00 14.35 C ATOM 490 CD2 TRP A 30 -9.781 -0.218 -12.164 1.00 71.53 C ATOM 491 NE1 TRP A 30 -10.901 0.306 -14.031 1.00 13.10 N ATOM 492 CE2 TRP A 30 -9.737 -0.241 -13.573 1.00 54.51 C ATOM 493 CE3 TRP A 30 -8.690 -0.737 -11.455 1.00 3.24 C ATOM 494 CZ2 TRP A 30 -8.653 -0.754 -14.281 1.00 22.31 C ATOM 495 CZ3 TRP A 30 -7.615 -1.240 -12.162 1.00 20.24 C ATOM 496 CH2 TRP A 30 -7.602 -1.243 -13.561 1.00 33.33 C ATOM 0 H TRP A 30 -12.365 -1.749 -10.797 1.00 1.30 H new ATOM 0 HA TRP A 30 -10.366 -0.622 -9.115 1.00 14.53 H new ATOM 0 HB2 TRP A 30 -12.659 0.860 -10.479 1.00 64.34 H new ATOM 0 HB3 TRP A 30 -11.112 1.526 -9.995 1.00 64.34 H new ATOM 0 HD1 TRP A 30 -12.657 1.122 -13.043 1.00 14.35 H new ATOM 0 HE1 TRP A 30 -11.151 0.426 -15.013 1.00 13.10 H new ATOM 0 HE3 TRP A 30 -8.689 -0.744 -10.375 1.00 3.24 H new ATOM 0 HZ2 TRP A 30 -8.644 -0.764 -15.361 1.00 22.31 H new ATOM 0 HZ3 TRP A 30 -6.768 -1.639 -11.624 1.00 20.24 H new ATOM 0 HH2 TRP A 30 -6.743 -1.640 -14.081 1.00 33.33 H new ATOM 507 N ASP A 31 -13.495 -0.578 -8.051 1.00 71.35 N ATOM 508 CA ASP A 31 -14.442 -0.248 -6.959 1.00 73.04 C ATOM 509 C ASP A 31 -13.932 -0.742 -5.595 1.00 23.15 C ATOM 510 O ASP A 31 -14.044 -0.043 -4.579 1.00 60.43 O ATOM 511 CB ASP A 31 -15.844 -0.850 -7.247 1.00 43.35 C ATOM 512 CG ASP A 31 -16.874 -0.483 -6.159 1.00 2.01 C ATOM 513 OD1 ASP A 31 -17.338 0.681 -6.142 1.00 54.32 O ATOM 514 OD2 ASP A 31 -17.205 -1.342 -5.311 1.00 51.24 O ATOM 0 H ASP A 31 -13.909 -1.155 -8.783 1.00 71.35 H new ATOM 0 HA ASP A 31 -14.521 0.838 -6.918 1.00 73.04 H new ATOM 0 HB2 ASP A 31 -16.198 -0.494 -8.214 1.00 43.35 H new ATOM 0 HB3 ASP A 31 -15.764 -1.935 -7.317 1.00 43.35 H new ATOM 519 N LEU A 32 -13.347 -1.943 -5.604 1.00 73.22 N ATOM 520 CA LEU A 32 -12.778 -2.571 -4.409 1.00 53.43 C ATOM 521 C LEU A 32 -11.540 -1.799 -3.920 1.00 33.11 C ATOM 522 O LEU A 32 -11.269 -1.751 -2.722 1.00 40.01 O ATOM 523 CB LEU A 32 -12.439 -4.043 -4.713 1.00 51.12 C ATOM 524 CG LEU A 32 -13.639 -4.937 -5.150 1.00 13.43 C ATOM 525 CD1 LEU A 32 -13.180 -6.376 -5.433 1.00 63.14 C ATOM 526 CD2 LEU A 32 -14.775 -4.900 -4.107 1.00 3.32 C ATOM 0 H LEU A 32 -13.254 -2.510 -6.447 1.00 73.22 H new ATOM 0 HA LEU A 32 -13.514 -2.542 -3.605 1.00 53.43 H new ATOM 0 HB2 LEU A 32 -11.686 -4.068 -5.500 1.00 51.12 H new ATOM 0 HB3 LEU A 32 -11.986 -4.483 -3.825 1.00 51.12 H new ATOM 0 HG LEU A 32 -14.038 -4.529 -6.079 1.00 13.43 H new ATOM 0 HD11 LEU A 32 -14.037 -6.978 -5.736 1.00 63.14 H new ATOM 0 HD12 LEU A 32 -12.439 -6.371 -6.232 1.00 63.14 H new ATOM 0 HD13 LEU A 32 -12.738 -6.801 -4.532 1.00 63.14 H new ATOM 0 HD21 LEU A 32 -15.597 -5.533 -4.441 1.00 3.32 H new ATOM 0 HD22 LEU A 32 -14.402 -5.264 -3.150 1.00 3.32 H new ATOM 0 HD23 LEU A 32 -15.130 -3.876 -3.992 1.00 3.32 H new ATOM 538 N LEU A 33 -10.798 -1.189 -4.867 1.00 35.50 N ATOM 539 CA LEU A 33 -9.683 -0.274 -4.541 1.00 1.31 C ATOM 540 C LEU A 33 -10.223 1.043 -3.948 1.00 32.40 C ATOM 541 O LEU A 33 -9.645 1.558 -3.006 1.00 51.22 O ATOM 542 CB LEU A 33 -8.770 0.004 -5.775 1.00 64.44 C ATOM 543 CG LEU A 33 -7.728 -1.106 -6.134 1.00 70.24 C ATOM 544 CD1 LEU A 33 -8.394 -2.426 -6.537 1.00 74.03 C ATOM 545 CD2 LEU A 33 -6.764 -0.618 -7.221 1.00 21.03 C ATOM 0 H LEU A 33 -10.951 -1.314 -5.868 1.00 35.50 H new ATOM 0 HA LEU A 33 -9.063 -0.768 -3.792 1.00 1.31 H new ATOM 0 HB2 LEU A 33 -9.409 0.166 -6.643 1.00 64.44 H new ATOM 0 HB3 LEU A 33 -8.231 0.934 -5.598 1.00 64.44 H new ATOM 0 HG LEU A 33 -7.154 -1.309 -5.230 1.00 70.24 H new ATOM 0 HD11 LEU A 33 -7.627 -3.162 -6.776 1.00 74.03 H new ATOM 0 HD12 LEU A 33 -9.004 -2.793 -5.712 1.00 74.03 H new ATOM 0 HD13 LEU A 33 -9.025 -2.263 -7.410 1.00 74.03 H new ATOM 0 HD21 LEU A 33 -6.049 -1.407 -7.454 1.00 21.03 H new ATOM 0 HD22 LEU A 33 -7.327 -0.362 -8.119 1.00 21.03 H new ATOM 0 HD23 LEU A 33 -6.230 0.263 -6.865 1.00 21.03 H new ATOM 557 N LEU A 34 -11.357 1.545 -4.490 1.00 13.04 N ATOM 558 CA LEU A 34 -12.000 2.801 -4.018 1.00 42.23 C ATOM 559 C LEU A 34 -12.502 2.655 -2.563 1.00 72.33 C ATOM 560 O LEU A 34 -12.484 3.613 -1.793 1.00 74.53 O ATOM 561 CB LEU A 34 -13.194 3.190 -4.939 1.00 51.21 C ATOM 562 CG LEU A 34 -12.886 3.361 -6.458 1.00 42.05 C ATOM 563 CD1 LEU A 34 -14.158 3.738 -7.248 1.00 23.13 C ATOM 564 CD2 LEU A 34 -11.751 4.374 -6.699 1.00 52.33 C ATOM 0 H LEU A 34 -11.852 1.097 -5.261 1.00 13.04 H new ATOM 0 HA LEU A 34 -11.247 3.588 -4.055 1.00 42.23 H new ATOM 0 HB2 LEU A 34 -13.966 2.428 -4.833 1.00 51.21 H new ATOM 0 HB3 LEU A 34 -13.616 4.125 -4.571 1.00 51.21 H new ATOM 0 HG LEU A 34 -12.540 2.397 -6.830 1.00 42.05 H new ATOM 0 HD11 LEU A 34 -13.911 3.850 -8.304 1.00 23.13 H new ATOM 0 HD12 LEU A 34 -14.905 2.953 -7.132 1.00 23.13 H new ATOM 0 HD13 LEU A 34 -14.558 4.678 -6.867 1.00 23.13 H new ATOM 0 HD21 LEU A 34 -11.566 4.465 -7.769 1.00 52.33 H new ATOM 0 HD22 LEU A 34 -12.039 5.345 -6.296 1.00 52.33 H new ATOM 0 HD23 LEU A 34 -10.844 4.029 -6.202 1.00 52.33 H new ATOM 576 N GLN A 35 -12.957 1.433 -2.228 1.00 74.54 N ATOM 577 CA GLN A 35 -13.478 1.074 -0.894 1.00 43.43 C ATOM 578 C GLN A 35 -12.326 0.886 0.115 1.00 32.31 C ATOM 579 O GLN A 35 -12.257 1.563 1.145 1.00 30.13 O ATOM 580 CB GLN A 35 -14.326 -0.230 -1.021 1.00 41.54 C ATOM 581 CG GLN A 35 -14.799 -0.859 0.315 1.00 72.43 C ATOM 582 CD GLN A 35 -15.669 0.057 1.190 1.00 53.04 C ATOM 583 OE1 GLN A 35 -16.397 0.922 0.693 1.00 2.34 O ATOM 584 NE2 GLN A 35 -15.599 -0.123 2.505 1.00 54.12 N ATOM 0 H GLN A 35 -12.973 0.654 -2.887 1.00 74.54 H new ATOM 0 HA GLN A 35 -14.107 1.882 -0.520 1.00 43.43 H new ATOM 0 HB2 GLN A 35 -15.204 -0.012 -1.629 1.00 41.54 H new ATOM 0 HB3 GLN A 35 -13.739 -0.972 -1.562 1.00 41.54 H new ATOM 0 HG2 GLN A 35 -15.361 -1.766 0.094 1.00 72.43 H new ATOM 0 HG3 GLN A 35 -13.922 -1.159 0.889 1.00 72.43 H new ATOM 0 HE21 GLN A 35 -14.989 -0.845 2.889 1.00 54.12 H new ATOM 0 HE22 GLN A 35 -16.155 0.461 3.130 1.00 54.12 H new ATOM 593 N GLN A 36 -11.413 -0.023 -0.228 1.00 43.35 N ATOM 594 CA GLN A 36 -10.300 -0.462 0.639 1.00 43.40 C ATOM 595 C GLN A 36 -9.134 0.559 0.661 1.00 54.25 C ATOM 596 O GLN A 36 -8.179 0.378 1.418 1.00 74.21 O ATOM 597 CB GLN A 36 -9.860 -1.884 0.209 1.00 3.01 C ATOM 598 CG GLN A 36 -10.951 -2.965 0.454 1.00 32.15 C ATOM 599 CD GLN A 36 -10.724 -4.295 -0.271 1.00 43.24 C ATOM 600 OE1 GLN A 36 -10.230 -4.244 -1.500 1.00 51.15 O flip ATOM 601 NE2 GLN A 36 -11.057 -5.369 0.243 1.00 24.13 N flip ATOM 0 H GLN A 36 -11.420 -0.490 -1.135 1.00 43.35 H new ATOM 0 HA GLN A 36 -10.644 -0.508 1.672 1.00 43.40 H new ATOM 0 HB2 GLN A 36 -9.601 -1.872 -0.850 1.00 3.01 H new ATOM 0 HB3 GLN A 36 -8.957 -2.158 0.755 1.00 3.01 H new ATOM 0 HG2 GLN A 36 -11.014 -3.159 1.525 1.00 32.15 H new ATOM 0 HG3 GLN A 36 -11.916 -2.561 0.146 1.00 32.15 H new ATOM 0 HE21 GLN A 36 -11.435 -5.386 1.190 1.00 24.13 H new ATOM 0 HE22 GLN A 36 -10.954 -6.238 -0.280 1.00 24.13 H new ATOM 610 N GLU A 37 -9.217 1.585 -0.222 1.00 65.31 N ATOM 611 CA GLU A 37 -8.261 2.721 -0.305 1.00 33.42 C ATOM 612 C GLU A 37 -7.886 3.285 1.082 1.00 24.54 C ATOM 613 O GLU A 37 -6.743 3.129 1.526 1.00 61.20 O ATOM 614 CB GLU A 37 -8.909 3.853 -1.158 1.00 35.51 C ATOM 615 CG GLU A 37 -8.090 5.156 -1.310 1.00 71.41 C ATOM 616 CD GLU A 37 -8.840 6.292 -2.035 1.00 5.11 C ATOM 617 OE1 GLU A 37 -8.264 7.387 -2.192 1.00 4.14 O ATOM 618 OE2 GLU A 37 -10.014 6.112 -2.422 1.00 33.24 O ATOM 0 H GLU A 37 -9.966 1.648 -0.912 1.00 65.31 H new ATOM 0 HA GLU A 37 -7.343 2.352 -0.763 1.00 33.42 H new ATOM 0 HB2 GLU A 37 -9.110 3.458 -2.154 1.00 35.51 H new ATOM 0 HB3 GLU A 37 -9.873 4.105 -0.715 1.00 35.51 H new ATOM 0 HG2 GLU A 37 -7.795 5.504 -0.320 1.00 71.41 H new ATOM 0 HG3 GLU A 37 -7.173 4.934 -1.856 1.00 71.41 H new ATOM 625 N VAL A 38 -8.878 3.874 1.778 1.00 73.02 N ATOM 626 CA VAL A 38 -8.646 4.571 3.055 1.00 43.34 C ATOM 627 C VAL A 38 -8.190 3.605 4.162 1.00 54.01 C ATOM 628 O VAL A 38 -7.497 4.019 5.079 1.00 34.41 O ATOM 629 CB VAL A 38 -9.907 5.372 3.531 1.00 34.02 C ATOM 630 CG1 VAL A 38 -10.279 6.470 2.508 1.00 45.14 C ATOM 631 CG2 VAL A 38 -11.102 4.434 3.823 1.00 65.44 C ATOM 0 H VAL A 38 -9.852 3.880 1.474 1.00 73.02 H new ATOM 0 HA VAL A 38 -7.843 5.283 2.866 1.00 43.34 H new ATOM 0 HB VAL A 38 -9.654 5.864 4.470 1.00 34.02 H new ATOM 0 HG11 VAL A 38 -11.157 7.012 2.859 1.00 45.14 H new ATOM 0 HG12 VAL A 38 -9.444 7.162 2.398 1.00 45.14 H new ATOM 0 HG13 VAL A 38 -10.499 6.010 1.544 1.00 45.14 H new ATOM 0 HG21 VAL A 38 -11.957 5.025 4.150 1.00 65.44 H new ATOM 0 HG22 VAL A 38 -11.365 3.887 2.918 1.00 65.44 H new ATOM 0 HG23 VAL A 38 -10.827 3.728 4.607 1.00 65.44 H new ATOM 641 N SER A 39 -8.572 2.322 4.036 1.00 43.14 N ATOM 642 CA SER A 39 -8.215 1.270 4.999 1.00 51.33 C ATOM 643 C SER A 39 -6.711 0.925 4.895 1.00 3.44 C ATOM 644 O SER A 39 -5.998 0.855 5.910 1.00 14.34 O ATOM 645 CB SER A 39 -9.083 0.026 4.724 1.00 30.12 C ATOM 646 OG SER A 39 -10.464 0.358 4.725 1.00 2.04 O ATOM 0 H SER A 39 -9.140 1.986 3.258 1.00 43.14 H new ATOM 0 HA SER A 39 -8.403 1.624 6.013 1.00 51.33 H new ATOM 0 HB2 SER A 39 -8.810 -0.407 3.761 1.00 30.12 H new ATOM 0 HB3 SER A 39 -8.887 -0.733 5.481 1.00 30.12 H new ATOM 0 HG SER A 39 -10.994 -0.447 4.547 1.00 2.04 H new ATOM 652 N TYR A 40 -6.252 0.747 3.639 1.00 63.31 N ATOM 653 CA TYR A 40 -4.847 0.446 3.308 1.00 42.12 C ATOM 654 C TYR A 40 -3.941 1.596 3.765 1.00 64.30 C ATOM 655 O TYR A 40 -2.950 1.378 4.467 1.00 42.12 O ATOM 656 CB TYR A 40 -4.712 0.213 1.780 1.00 15.44 C ATOM 657 CG TYR A 40 -3.291 -0.118 1.281 1.00 64.50 C ATOM 658 CD1 TYR A 40 -2.611 0.729 0.406 1.00 53.43 C ATOM 659 CD2 TYR A 40 -2.648 -1.289 1.663 1.00 32.51 C ATOM 660 CE1 TYR A 40 -1.356 0.412 -0.071 1.00 11.44 C ATOM 661 CE2 TYR A 40 -1.390 -1.600 1.194 1.00 34.02 C ATOM 662 CZ TYR A 40 -0.748 -0.750 0.327 1.00 51.25 C ATOM 663 OH TYR A 40 0.507 -1.069 -0.149 1.00 42.21 O ATOM 0 H TYR A 40 -6.855 0.809 2.818 1.00 63.31 H new ATOM 0 HA TYR A 40 -4.537 -0.460 3.829 1.00 42.12 H new ATOM 0 HB2 TYR A 40 -5.377 -0.602 1.494 1.00 15.44 H new ATOM 0 HB3 TYR A 40 -5.061 1.106 1.262 1.00 15.44 H new ATOM 0 HD1 TYR A 40 -3.077 1.653 0.095 1.00 53.43 H new ATOM 0 HD2 TYR A 40 -3.144 -1.969 2.340 1.00 32.51 H new ATOM 0 HE1 TYR A 40 -0.854 1.078 -0.757 1.00 11.44 H new ATOM 0 HE2 TYR A 40 -0.908 -2.514 1.509 1.00 34.02 H new ATOM 0 HH TYR A 40 0.930 -1.717 0.452 1.00 42.21 H new ATOM 673 N LEU A 41 -4.352 2.827 3.401 1.00 22.21 N ATOM 674 CA LEU A 41 -3.584 4.056 3.673 1.00 24.22 C ATOM 675 C LEU A 41 -3.615 4.415 5.175 1.00 53.01 C ATOM 676 O LEU A 41 -2.667 5.027 5.686 1.00 13.13 O ATOM 677 CB LEU A 41 -4.133 5.224 2.809 1.00 31.42 C ATOM 678 CG LEU A 41 -4.193 4.958 1.269 1.00 41.50 C ATOM 679 CD1 LEU A 41 -4.848 6.136 0.524 1.00 3.45 C ATOM 680 CD2 LEU A 41 -2.801 4.624 0.692 1.00 61.41 C ATOM 0 H LEU A 41 -5.229 2.996 2.908 1.00 22.21 H new ATOM 0 HA LEU A 41 -2.543 3.880 3.403 1.00 24.22 H new ATOM 0 HB2 LEU A 41 -5.137 5.468 3.156 1.00 31.42 H new ATOM 0 HB3 LEU A 41 -3.513 6.103 2.983 1.00 31.42 H new ATOM 0 HG LEU A 41 -4.821 4.081 1.114 1.00 41.50 H new ATOM 0 HD11 LEU A 41 -4.875 5.921 -0.544 1.00 3.45 H new ATOM 0 HD12 LEU A 41 -5.864 6.279 0.891 1.00 3.45 H new ATOM 0 HD13 LEU A 41 -4.269 7.043 0.697 1.00 3.45 H new ATOM 0 HD21 LEU A 41 -2.885 4.446 -0.380 1.00 61.41 H new ATOM 0 HD22 LEU A 41 -2.124 5.459 0.869 1.00 61.41 H new ATOM 0 HD23 LEU A 41 -2.410 3.731 1.179 1.00 61.41 H new ATOM 692 N GLN A 42 -4.703 4.019 5.875 1.00 74.30 N ATOM 693 CA GLN A 42 -4.834 4.208 7.341 1.00 24.51 C ATOM 694 C GLN A 42 -3.827 3.317 8.077 1.00 44.44 C ATOM 695 O GLN A 42 -3.106 3.786 8.964 1.00 12.43 O ATOM 696 CB GLN A 42 -6.269 3.877 7.829 1.00 12.14 C ATOM 697 CG GLN A 42 -6.545 4.178 9.319 1.00 65.52 C ATOM 698 CD GLN A 42 -6.483 5.668 9.645 1.00 41.02 C ATOM 699 OE1 GLN A 42 -5.434 6.201 10.009 1.00 52.20 O ATOM 700 NE2 GLN A 42 -7.606 6.355 9.512 1.00 50.42 N ATOM 0 H GLN A 42 -5.508 3.564 5.446 1.00 74.30 H new ATOM 0 HA GLN A 42 -4.630 5.256 7.561 1.00 24.51 H new ATOM 0 HB2 GLN A 42 -6.980 4.440 7.224 1.00 12.14 H new ATOM 0 HB3 GLN A 42 -6.462 2.820 7.647 1.00 12.14 H new ATOM 0 HG2 GLN A 42 -7.529 3.793 9.586 1.00 65.52 H new ATOM 0 HG3 GLN A 42 -5.818 3.646 9.933 1.00 65.52 H new ATOM 0 HE21 GLN A 42 -8.459 5.885 9.209 1.00 50.42 H new ATOM 0 HE22 GLN A 42 -7.619 7.355 9.713 1.00 50.42 H new ATOM 709 N SER A 43 -3.789 2.027 7.675 1.00 73.23 N ATOM 710 CA SER A 43 -2.879 1.029 8.256 1.00 42.31 C ATOM 711 C SER A 43 -1.406 1.451 8.012 1.00 22.23 C ATOM 712 O SER A 43 -0.552 1.296 8.895 1.00 73.05 O ATOM 713 CB SER A 43 -3.183 -0.373 7.670 1.00 74.01 C ATOM 714 OG SER A 43 -2.503 -1.402 8.380 1.00 33.44 O ATOM 0 H SER A 43 -4.389 1.654 6.940 1.00 73.23 H new ATOM 0 HA SER A 43 -3.034 0.976 9.334 1.00 42.31 H new ATOM 0 HB2 SER A 43 -4.257 -0.556 7.705 1.00 74.01 H new ATOM 0 HB3 SER A 43 -2.889 -0.400 6.621 1.00 74.01 H new ATOM 0 HG SER A 43 -2.589 -2.248 7.892 1.00 33.44 H new ATOM 720 N ILE A 44 -1.154 2.016 6.806 1.00 14.55 N ATOM 721 CA ILE A 44 0.137 2.634 6.414 1.00 62.54 C ATOM 722 C ILE A 44 0.537 3.743 7.402 1.00 73.11 C ATOM 723 O ILE A 44 1.640 3.729 7.967 1.00 2.42 O ATOM 724 CB ILE A 44 0.030 3.208 4.935 1.00 2.24 C ATOM 725 CG1 ILE A 44 0.146 2.049 3.894 1.00 31.02 C ATOM 726 CG2 ILE A 44 1.038 4.354 4.640 1.00 45.12 C ATOM 727 CD1 ILE A 44 -0.065 2.459 2.447 1.00 25.32 C ATOM 0 H ILE A 44 -1.854 2.056 6.065 1.00 14.55 H new ATOM 0 HA ILE A 44 0.914 1.870 6.441 1.00 62.54 H new ATOM 0 HB ILE A 44 -0.956 3.664 4.843 1.00 2.24 H new ATOM 0 HG12 ILE A 44 1.133 1.596 3.987 1.00 31.02 H new ATOM 0 HG13 ILE A 44 -0.583 1.280 4.147 1.00 31.02 H new ATOM 0 HG21 ILE A 44 0.909 4.697 3.614 1.00 45.12 H new ATOM 0 HG22 ILE A 44 0.858 5.182 5.325 1.00 45.12 H new ATOM 0 HG23 ILE A 44 2.056 3.987 4.774 1.00 45.12 H new ATOM 0 HD11 ILE A 44 0.036 1.585 1.803 1.00 25.32 H new ATOM 0 HD12 ILE A 44 -1.063 2.883 2.331 1.00 25.32 H new ATOM 0 HD13 ILE A 44 0.680 3.204 2.167 1.00 25.32 H new ATOM 739 N GLU A 45 -0.412 4.659 7.627 1.00 13.21 N ATOM 740 CA GLU A 45 -0.202 5.879 8.416 1.00 51.41 C ATOM 741 C GLU A 45 0.141 5.538 9.877 1.00 53.43 C ATOM 742 O GLU A 45 1.107 6.063 10.439 1.00 71.44 O ATOM 743 CB GLU A 45 -1.483 6.746 8.319 1.00 15.31 C ATOM 744 CG GLU A 45 -1.385 8.150 8.940 1.00 1.41 C ATOM 745 CD GLU A 45 -2.629 9.002 8.641 1.00 11.20 C ATOM 746 OE1 GLU A 45 -2.622 9.754 7.646 1.00 63.25 O ATOM 747 OE2 GLU A 45 -3.636 8.892 9.369 1.00 74.22 O ATOM 0 H GLU A 45 -1.360 4.573 7.261 1.00 13.21 H new ATOM 0 HA GLU A 45 0.645 6.439 8.020 1.00 51.41 H new ATOM 0 HB2 GLU A 45 -1.750 6.851 7.267 1.00 15.31 H new ATOM 0 HB3 GLU A 45 -2.300 6.211 8.803 1.00 15.31 H new ATOM 0 HG2 GLU A 45 -1.258 8.061 10.019 1.00 1.41 H new ATOM 0 HG3 GLU A 45 -0.499 8.655 8.555 1.00 1.41 H new ATOM 754 N THR A 46 -0.626 4.599 10.445 1.00 2.23 N ATOM 755 CA THR A 46 -0.519 4.226 11.860 1.00 45.45 C ATOM 756 C THR A 46 0.708 3.324 12.143 1.00 14.22 C ATOM 757 O THR A 46 1.302 3.420 13.223 1.00 51.02 O ATOM 758 CB THR A 46 -1.834 3.550 12.363 1.00 23.44 C ATOM 759 OG1 THR A 46 -1.756 3.317 13.776 1.00 62.31 O ATOM 760 CG2 THR A 46 -2.139 2.230 11.638 1.00 21.00 C ATOM 0 H THR A 46 -1.339 4.076 9.936 1.00 2.23 H new ATOM 0 HA THR A 46 -0.370 5.150 12.418 1.00 45.45 H new ATOM 0 HB THR A 46 -2.649 4.238 12.139 1.00 23.44 H new ATOM 0 HG1 THR A 46 -2.659 3.202 14.139 1.00 62.31 H new ATOM 0 HG21 THR A 46 -3.064 1.806 12.029 1.00 21.00 H new ATOM 0 HG22 THR A 46 -2.249 2.418 10.570 1.00 21.00 H new ATOM 0 HG23 THR A 46 -1.321 1.528 11.800 1.00 21.00 H new ATOM 768 N VAL A 47 1.102 2.457 11.172 1.00 54.53 N ATOM 769 CA VAL A 47 2.293 1.582 11.343 1.00 71.24 C ATOM 770 C VAL A 47 3.593 2.415 11.207 1.00 22.32 C ATOM 771 O VAL A 47 4.587 2.156 11.893 1.00 4.42 O ATOM 772 CB VAL A 47 2.310 0.372 10.327 1.00 41.41 C ATOM 773 CG1 VAL A 47 2.732 0.803 8.906 1.00 10.15 C ATOM 774 CG2 VAL A 47 3.202 -0.775 10.838 1.00 41.41 C ATOM 0 H VAL A 47 0.622 2.346 10.279 1.00 54.53 H new ATOM 0 HA VAL A 47 2.235 1.156 12.345 1.00 71.24 H new ATOM 0 HB VAL A 47 1.285 0.006 10.261 1.00 41.41 H new ATOM 0 HG11 VAL A 47 2.728 -0.065 8.246 1.00 10.15 H new ATOM 0 HG12 VAL A 47 2.032 1.549 8.529 1.00 10.15 H new ATOM 0 HG13 VAL A 47 3.735 1.230 8.938 1.00 10.15 H new ATOM 0 HG21 VAL A 47 3.193 -1.592 10.117 1.00 41.41 H new ATOM 0 HG22 VAL A 47 4.223 -0.414 10.964 1.00 41.41 H new ATOM 0 HG23 VAL A 47 2.823 -1.132 11.796 1.00 41.41 H new ATOM 784 N MET A 48 3.547 3.420 10.308 1.00 71.43 N ATOM 785 CA MET A 48 4.656 4.355 10.075 1.00 24.14 C ATOM 786 C MET A 48 4.783 5.324 11.266 1.00 1.54 C ATOM 787 O MET A 48 5.882 5.780 11.595 1.00 72.45 O ATOM 788 CB MET A 48 4.427 5.111 8.737 1.00 74.45 C ATOM 789 CG MET A 48 5.554 6.051 8.320 1.00 74.33 C ATOM 790 SD MET A 48 5.284 6.799 6.699 1.00 43.30 S ATOM 791 CE MET A 48 5.413 5.380 5.607 1.00 31.53 C ATOM 0 H MET A 48 2.732 3.603 9.722 1.00 71.43 H new ATOM 0 HA MET A 48 5.594 3.807 9.994 1.00 24.14 H new ATOM 0 HB2 MET A 48 4.276 4.377 7.945 1.00 74.45 H new ATOM 0 HB3 MET A 48 3.506 5.688 8.817 1.00 74.45 H new ATOM 0 HG2 MET A 48 5.657 6.840 9.065 1.00 74.33 H new ATOM 0 HG3 MET A 48 6.494 5.499 8.308 1.00 74.33 H new ATOM 0 HE1 MET A 48 5.587 5.721 4.586 1.00 31.53 H new ATOM 0 HE2 MET A 48 6.243 4.750 5.926 1.00 31.53 H new ATOM 0 HE3 MET A 48 4.487 4.806 5.645 1.00 31.53 H new ATOM 801 N GLU A 49 3.637 5.606 11.915 1.00 34.31 N ATOM 802 CA GLU A 49 3.587 6.385 13.163 1.00 61.21 C ATOM 803 C GLU A 49 4.205 5.580 14.338 1.00 63.03 C ATOM 804 O GLU A 49 4.843 6.152 15.228 1.00 43.44 O ATOM 805 CB GLU A 49 2.119 6.784 13.476 1.00 63.34 C ATOM 806 CG GLU A 49 1.949 7.844 14.584 1.00 54.02 C ATOM 807 CD GLU A 49 2.660 9.174 14.278 1.00 62.02 C ATOM 808 OE1 GLU A 49 2.179 9.932 13.404 1.00 12.14 O ATOM 809 OE2 GLU A 49 3.694 9.475 14.910 1.00 63.13 O ATOM 0 H GLU A 49 2.721 5.299 11.587 1.00 34.31 H new ATOM 0 HA GLU A 49 4.176 7.293 13.036 1.00 61.21 H new ATOM 0 HB2 GLU A 49 1.659 7.160 12.562 1.00 63.34 H new ATOM 0 HB3 GLU A 49 1.569 5.888 13.765 1.00 63.34 H new ATOM 0 HG2 GLU A 49 0.886 8.035 14.732 1.00 54.02 H new ATOM 0 HG3 GLU A 49 2.334 7.443 15.521 1.00 54.02 H new ATOM 816 N LYS A 50 4.030 4.239 14.306 1.00 13.54 N ATOM 817 CA LYS A 50 4.595 3.307 15.314 1.00 73.43 C ATOM 818 C LYS A 50 5.997 2.800 14.902 1.00 34.11 C ATOM 819 O LYS A 50 6.368 1.668 15.248 1.00 33.04 O ATOM 820 CB LYS A 50 3.628 2.102 15.521 1.00 71.42 C ATOM 821 CG LYS A 50 2.309 2.442 16.239 1.00 43.41 C ATOM 822 CD LYS A 50 2.517 2.909 17.698 1.00 14.33 C ATOM 823 CE LYS A 50 1.189 3.165 18.425 1.00 24.13 C ATOM 824 NZ LYS A 50 1.385 3.573 19.839 1.00 61.44 N ATOM 0 H LYS A 50 3.491 3.769 13.578 1.00 13.54 H new ATOM 0 HA LYS A 50 4.704 3.853 16.251 1.00 73.43 H new ATOM 0 HB2 LYS A 50 3.394 1.672 14.547 1.00 71.42 H new ATOM 0 HB3 LYS A 50 4.147 1.333 16.092 1.00 71.42 H new ATOM 0 HG2 LYS A 50 1.791 3.224 15.684 1.00 43.41 H new ATOM 0 HG3 LYS A 50 1.662 1.565 16.233 1.00 43.41 H new ATOM 0 HD2 LYS A 50 3.086 2.154 18.241 1.00 14.33 H new ATOM 0 HD3 LYS A 50 3.113 3.822 17.703 1.00 14.33 H new ATOM 0 HE2 LYS A 50 0.635 3.942 17.899 1.00 24.13 H new ATOM 0 HE3 LYS A 50 0.580 2.261 18.392 1.00 24.13 H new ATOM 0 HZ1 LYS A 50 0.460 3.734 20.285 1.00 61.44 H new ATOM 0 HZ2 LYS A 50 1.890 2.821 20.350 1.00 61.44 H new ATOM 0 HZ3 LYS A 50 1.943 4.450 19.873 1.00 61.44 H new ATOM 838 N GLN A 51 6.778 3.664 14.214 1.00 72.34 N ATOM 839 CA GLN A 51 8.171 3.364 13.806 1.00 54.41 C ATOM 840 C GLN A 51 9.029 2.937 15.033 1.00 65.10 C ATOM 841 O GLN A 51 9.359 3.753 15.903 1.00 74.33 O ATOM 842 CB GLN A 51 8.814 4.595 13.087 1.00 63.11 C ATOM 843 CG GLN A 51 8.590 5.949 13.808 1.00 62.12 C ATOM 844 CD GLN A 51 9.487 7.085 13.309 1.00 11.32 C ATOM 845 OE1 GLN A 51 9.913 7.117 12.151 1.00 73.13 O ATOM 846 NE2 GLN A 51 9.765 8.044 14.177 1.00 63.01 N ATOM 0 H GLN A 51 6.461 4.589 13.926 1.00 72.34 H new ATOM 0 HA GLN A 51 8.145 2.531 13.103 1.00 54.41 H new ATOM 0 HB2 GLN A 51 9.886 4.423 12.988 1.00 63.11 H new ATOM 0 HB3 GLN A 51 8.408 4.663 12.078 1.00 63.11 H new ATOM 0 HG2 GLN A 51 7.548 6.244 13.686 1.00 62.12 H new ATOM 0 HG3 GLN A 51 8.759 5.811 14.876 1.00 62.12 H new ATOM 0 HE21 GLN A 51 9.400 7.993 15.128 1.00 63.01 H new ATOM 0 HE22 GLN A 51 10.344 8.835 13.895 1.00 63.01 H new ATOM 855 N THR A 52 9.317 1.626 15.113 1.00 62.31 N ATOM 856 CA THR A 52 10.089 1.023 16.214 1.00 20.52 C ATOM 857 C THR A 52 11.596 1.377 16.098 1.00 2.45 C ATOM 858 O THR A 52 12.087 1.592 14.980 1.00 5.43 O ATOM 859 CB THR A 52 9.905 -0.529 16.213 1.00 45.23 C ATOM 860 OG1 THR A 52 10.271 -1.061 14.928 1.00 73.21 O ATOM 861 CG2 THR A 52 8.460 -0.941 16.547 1.00 3.53 C ATOM 0 H THR A 52 9.018 0.950 14.410 1.00 62.31 H new ATOM 0 HA THR A 52 9.713 1.429 17.153 1.00 20.52 H new ATOM 0 HB THR A 52 10.554 -0.936 16.988 1.00 45.23 H new ATOM 0 HG1 THR A 52 9.461 -1.270 14.417 1.00 73.21 H new ATOM 0 HG21 THR A 52 8.379 -2.028 16.535 1.00 3.53 H new ATOM 0 HG22 THR A 52 8.195 -0.569 17.537 1.00 3.53 H new ATOM 0 HG23 THR A 52 7.781 -0.518 15.807 1.00 3.53 H new ATOM 869 N PRO A 53 12.357 1.442 17.245 1.00 30.11 N ATOM 870 CA PRO A 53 13.811 1.773 17.238 1.00 45.42 C ATOM 871 C PRO A 53 14.675 0.771 16.409 1.00 42.52 C ATOM 872 O PRO A 53 14.245 -0.369 16.190 1.00 11.14 O ATOM 873 CB PRO A 53 14.184 1.756 18.752 1.00 34.13 C ATOM 874 CG PRO A 53 13.123 0.923 19.405 1.00 74.03 C ATOM 875 CD PRO A 53 11.861 1.215 18.633 1.00 64.52 C ATOM 0 HA PRO A 53 14.010 2.728 16.752 1.00 45.42 H new ATOM 0 HB2 PRO A 53 15.174 1.328 18.910 1.00 34.13 H new ATOM 0 HB3 PRO A 53 14.203 2.765 19.165 1.00 34.13 H new ATOM 0 HG2 PRO A 53 13.374 -0.137 19.364 1.00 74.03 H new ATOM 0 HG3 PRO A 53 13.010 1.183 20.457 1.00 74.03 H new ATOM 0 HD2 PRO A 53 11.159 0.382 18.679 1.00 64.52 H new ATOM 0 HD3 PRO A 53 11.343 2.091 19.024 1.00 64.52 H new ATOM 883 N PRO A 54 15.904 1.211 15.940 1.00 73.20 N ATOM 884 CA PRO A 54 16.815 0.407 15.071 1.00 62.11 C ATOM 885 C PRO A 54 17.019 -1.053 15.520 1.00 62.13 C ATOM 886 O PRO A 54 16.948 -1.973 14.692 1.00 61.21 O ATOM 887 CB PRO A 54 18.144 1.193 15.139 1.00 15.24 C ATOM 888 CG PRO A 54 17.719 2.615 15.333 1.00 42.51 C ATOM 889 CD PRO A 54 16.498 2.554 16.221 1.00 74.41 C ATOM 0 HA PRO A 54 16.398 0.299 14.070 1.00 62.11 H new ATOM 0 HB2 PRO A 54 18.769 0.848 15.963 1.00 15.24 H new ATOM 0 HB3 PRO A 54 18.726 1.072 14.225 1.00 15.24 H new ATOM 0 HG2 PRO A 54 18.512 3.202 15.796 1.00 42.51 H new ATOM 0 HG3 PRO A 54 17.487 3.089 14.379 1.00 42.51 H new ATOM 0 HD2 PRO A 54 16.765 2.659 17.273 1.00 74.41 H new ATOM 0 HD3 PRO A 54 15.797 3.356 15.989 1.00 74.41 H new ATOM 897 N GLY A 55 17.289 -1.238 16.829 1.00 1.34 N ATOM 898 CA GLY A 55 17.564 -2.563 17.389 1.00 73.35 C ATOM 899 C GLY A 55 16.337 -3.475 17.413 1.00 23.31 C ATOM 900 O GLY A 55 15.666 -3.613 18.445 1.00 64.01 O ATOM 0 H GLY A 55 17.321 -0.481 17.512 1.00 1.34 H new ATOM 0 HA2 GLY A 55 18.352 -3.040 16.806 1.00 73.35 H new ATOM 0 HA3 GLY A 55 17.944 -2.449 18.404 1.00 73.35 H new ATOM 904 N ILE A 56 16.050 -4.075 16.252 1.00 2.23 N ATOM 905 CA ILE A 56 14.937 -5.010 16.051 1.00 14.44 C ATOM 906 C ILE A 56 15.484 -6.457 16.013 1.00 53.42 C ATOM 907 O ILE A 56 16.407 -6.771 15.249 1.00 43.15 O ATOM 908 CB ILE A 56 14.146 -4.629 14.731 1.00 30.44 C ATOM 909 CG1 ILE A 56 13.185 -3.422 14.980 1.00 11.23 C ATOM 910 CG2 ILE A 56 13.375 -5.821 14.137 1.00 50.32 C ATOM 911 CD1 ILE A 56 12.031 -3.726 15.931 1.00 22.22 C ATOM 0 H ILE A 56 16.598 -3.920 15.406 1.00 2.23 H new ATOM 0 HA ILE A 56 14.232 -4.944 16.880 1.00 14.44 H new ATOM 0 HB ILE A 56 14.895 -4.335 13.996 1.00 30.44 H new ATOM 0 HG12 ILE A 56 13.762 -2.589 15.382 1.00 11.23 H new ATOM 0 HG13 ILE A 56 12.776 -3.094 14.024 1.00 11.23 H new ATOM 0 HG21 ILE A 56 12.852 -5.503 13.235 1.00 50.32 H new ATOM 0 HG22 ILE A 56 14.074 -6.619 13.889 1.00 50.32 H new ATOM 0 HG23 ILE A 56 12.652 -6.186 14.866 1.00 50.32 H new ATOM 0 HD11 ILE A 56 11.413 -2.836 16.049 1.00 22.22 H new ATOM 0 HD12 ILE A 56 11.427 -4.536 15.523 1.00 22.22 H new ATOM 0 HD13 ILE A 56 12.428 -4.023 16.902 1.00 22.22 H new ATOM 923 N THR A 57 14.909 -7.314 16.869 1.00 31.42 N ATOM 924 CA THR A 57 15.306 -8.731 17.030 1.00 50.23 C ATOM 925 C THR A 57 14.953 -9.577 15.783 1.00 43.12 C ATOM 926 O THR A 57 14.235 -9.110 14.902 1.00 22.23 O ATOM 927 CB THR A 57 14.623 -9.328 18.308 1.00 65.31 C ATOM 928 OG1 THR A 57 15.041 -10.686 18.530 1.00 4.25 O ATOM 929 CG2 THR A 57 13.090 -9.269 18.208 1.00 45.53 C ATOM 0 H THR A 57 14.141 -7.042 17.482 1.00 31.42 H new ATOM 0 HA THR A 57 16.389 -8.765 17.145 1.00 50.23 H new ATOM 0 HB THR A 57 14.938 -8.717 19.154 1.00 65.31 H new ATOM 0 HG1 THR A 57 14.603 -11.036 19.334 1.00 4.25 H new ATOM 0 HG21 THR A 57 12.650 -9.691 19.111 1.00 45.53 H new ATOM 0 HG22 THR A 57 12.772 -8.232 18.100 1.00 45.53 H new ATOM 0 HG23 THR A 57 12.760 -9.842 17.341 1.00 45.53 H new ATOM 937 N ARG A 58 15.431 -10.838 15.779 1.00 31.34 N ATOM 938 CA ARG A 58 15.345 -11.779 14.638 1.00 73.52 C ATOM 939 C ARG A 58 13.897 -12.015 14.160 1.00 62.13 C ATOM 940 O ARG A 58 13.624 -11.881 12.963 1.00 52.02 O ATOM 941 CB ARG A 58 16.054 -13.127 15.013 1.00 30.53 C ATOM 942 CG ARG A 58 17.579 -13.219 14.704 1.00 61.45 C ATOM 943 CD ARG A 58 18.428 -12.025 15.209 1.00 24.40 C ATOM 944 NE ARG A 58 18.271 -10.820 14.369 1.00 35.52 N ATOM 945 CZ ARG A 58 18.876 -9.640 14.576 1.00 53.12 C ATOM 946 NH1 ARG A 58 19.713 -9.459 15.602 1.00 53.14 N ATOM 947 NH2 ARG A 58 18.644 -8.639 13.738 1.00 65.45 N ATOM 0 H ARG A 58 15.900 -11.243 16.589 1.00 31.34 H new ATOM 0 HA ARG A 58 15.862 -11.324 13.793 1.00 73.52 H new ATOM 0 HB2 ARG A 58 15.910 -13.303 16.079 1.00 30.53 H new ATOM 0 HB3 ARG A 58 15.549 -13.936 14.485 1.00 30.53 H new ATOM 0 HG2 ARG A 58 17.969 -14.135 15.148 1.00 61.45 H new ATOM 0 HG3 ARG A 58 17.710 -13.307 13.626 1.00 61.45 H new ATOM 0 HD2 ARG A 58 18.142 -11.789 16.234 1.00 24.40 H new ATOM 0 HD3 ARG A 58 19.479 -12.314 15.230 1.00 24.40 H new ATOM 0 HE ARG A 58 17.650 -10.891 13.563 1.00 35.52 H new ATOM 0 HH11 ARG A 58 19.903 -10.226 16.247 1.00 53.14 H new ATOM 0 HH12 ARG A 58 20.162 -8.554 15.740 1.00 53.14 H new ATOM 0 HH21 ARG A 58 18.012 -8.771 12.948 1.00 65.45 H new ATOM 0 HH22 ARG A 58 19.097 -7.737 13.883 1.00 65.45 H new ATOM 961 N SER A 59 12.991 -12.361 15.097 1.00 10.53 N ATOM 962 CA SER A 59 11.578 -12.673 14.770 1.00 12.20 C ATOM 963 C SER A 59 10.880 -11.469 14.107 1.00 51.24 C ATOM 964 O SER A 59 10.319 -11.589 13.005 1.00 21.51 O ATOM 965 CB SER A 59 10.815 -13.107 16.040 1.00 52.43 C ATOM 966 OG SER A 59 11.450 -14.212 16.670 1.00 14.42 O ATOM 0 H SER A 59 13.211 -12.433 16.091 1.00 10.53 H new ATOM 0 HA SER A 59 11.572 -13.498 14.058 1.00 12.20 H new ATOM 0 HB2 SER A 59 10.759 -12.271 16.737 1.00 52.43 H new ATOM 0 HB3 SER A 59 9.791 -13.373 15.779 1.00 52.43 H new ATOM 0 HG SER A 59 10.947 -14.465 17.472 1.00 14.42 H new ATOM 972 N ILE A 60 10.967 -10.298 14.782 1.00 55.25 N ATOM 973 CA ILE A 60 10.346 -9.050 14.308 1.00 61.52 C ATOM 974 C ILE A 60 10.961 -8.629 12.957 1.00 75.40 C ATOM 975 O ILE A 60 10.237 -8.222 12.061 1.00 15.14 O ATOM 976 CB ILE A 60 10.484 -7.864 15.346 1.00 13.04 C ATOM 977 CG1 ILE A 60 9.939 -8.266 16.753 1.00 44.20 C ATOM 978 CG2 ILE A 60 9.762 -6.586 14.833 1.00 73.10 C ATOM 979 CD1 ILE A 60 10.078 -7.181 17.818 1.00 32.11 C ATOM 0 H ILE A 60 11.468 -10.198 15.665 1.00 55.25 H new ATOM 0 HA ILE A 60 9.282 -9.255 14.188 1.00 61.52 H new ATOM 0 HB ILE A 60 11.547 -7.645 15.446 1.00 13.04 H new ATOM 0 HG12 ILE A 60 8.886 -8.532 16.659 1.00 44.20 H new ATOM 0 HG13 ILE A 60 10.465 -9.159 17.091 1.00 44.20 H new ATOM 0 HG21 ILE A 60 9.873 -5.787 15.566 1.00 73.10 H new ATOM 0 HG22 ILE A 60 10.203 -6.274 13.886 1.00 73.10 H new ATOM 0 HG23 ILE A 60 8.703 -6.800 14.687 1.00 73.10 H new ATOM 0 HD11 ILE A 60 9.675 -7.545 18.763 1.00 32.11 H new ATOM 0 HD12 ILE A 60 11.131 -6.929 17.946 1.00 32.11 H new ATOM 0 HD13 ILE A 60 9.528 -6.293 17.507 1.00 32.11 H new ATOM 991 N GLN A 61 12.297 -8.785 12.818 1.00 42.25 N ATOM 992 CA GLN A 61 13.029 -8.373 11.599 1.00 5.44 C ATOM 993 C GLN A 61 12.541 -9.172 10.389 1.00 64.31 C ATOM 994 O GLN A 61 12.140 -8.586 9.397 1.00 64.04 O ATOM 995 CB GLN A 61 14.568 -8.539 11.755 1.00 22.35 C ATOM 996 CG GLN A 61 15.379 -7.963 10.571 1.00 54.22 C ATOM 997 CD GLN A 61 16.868 -8.299 10.625 1.00 61.55 C ATOM 998 OE1 GLN A 61 17.662 -7.449 11.263 1.00 35.33 O flip ATOM 999 NE2 GLN A 61 17.305 -9.323 10.096 1.00 21.22 N flip ATOM 0 H GLN A 61 12.892 -9.195 13.538 1.00 42.25 H new ATOM 0 HA GLN A 61 12.824 -7.314 11.444 1.00 5.44 H new ATOM 0 HB2 GLN A 61 14.886 -8.048 12.675 1.00 22.35 H new ATOM 0 HB3 GLN A 61 14.801 -9.598 11.862 1.00 22.35 H new ATOM 0 HG2 GLN A 61 14.963 -8.344 9.638 1.00 54.22 H new ATOM 0 HG3 GLN A 61 15.261 -6.880 10.554 1.00 54.22 H new ATOM 0 HE21 GLN A 61 16.670 -9.958 9.612 1.00 21.22 H new ATOM 0 HE22 GLN A 61 18.302 -9.535 10.142 1.00 21.22 H new ATOM 1008 N ASP A 62 12.538 -10.512 10.516 1.00 22.44 N ATOM 1009 CA ASP A 62 12.168 -11.426 9.416 1.00 2.15 C ATOM 1010 C ASP A 62 10.698 -11.231 9.000 1.00 40.12 C ATOM 1011 O ASP A 62 10.403 -11.100 7.804 1.00 74.45 O ATOM 1012 CB ASP A 62 12.424 -12.903 9.819 1.00 62.10 C ATOM 1013 CG ASP A 62 12.006 -13.906 8.721 1.00 11.43 C ATOM 1014 OD1 ASP A 62 10.953 -14.563 8.854 1.00 22.15 O ATOM 1015 OD2 ASP A 62 12.717 -14.023 7.705 1.00 61.24 O ATOM 0 H ASP A 62 12.791 -10.991 11.380 1.00 22.44 H new ATOM 0 HA ASP A 62 12.797 -11.185 8.559 1.00 2.15 H new ATOM 0 HB2 ASP A 62 13.483 -13.036 10.041 1.00 62.10 H new ATOM 0 HB3 ASP A 62 11.876 -13.125 10.735 1.00 62.10 H new ATOM 1020 N MET A 63 9.787 -11.193 9.999 1.00 41.13 N ATOM 1021 CA MET A 63 8.341 -11.017 9.738 1.00 53.11 C ATOM 1022 C MET A 63 8.060 -9.657 9.080 1.00 5.21 C ATOM 1023 O MET A 63 7.574 -9.614 7.947 1.00 11.31 O ATOM 1024 CB MET A 63 7.500 -11.202 11.032 1.00 30.33 C ATOM 1025 CG MET A 63 7.417 -12.653 11.524 1.00 34.10 C ATOM 1026 SD MET A 63 6.348 -12.844 12.969 1.00 31.40 S ATOM 1027 CE MET A 63 7.219 -11.881 14.211 1.00 72.51 C ATOM 0 H MET A 63 10.026 -11.281 10.987 1.00 41.13 H new ATOM 0 HA MET A 63 8.036 -11.796 9.039 1.00 53.11 H new ATOM 0 HB2 MET A 63 7.929 -10.586 11.822 1.00 30.33 H new ATOM 0 HB3 MET A 63 6.490 -10.832 10.852 1.00 30.33 H new ATOM 0 HG2 MET A 63 7.045 -13.285 10.717 1.00 34.10 H new ATOM 0 HG3 MET A 63 8.419 -13.006 11.770 1.00 34.10 H new ATOM 0 HE1 MET A 63 6.594 -11.781 15.098 1.00 72.51 H new ATOM 0 HE2 MET A 63 8.148 -12.385 14.477 1.00 72.51 H new ATOM 0 HE3 MET A 63 7.444 -10.892 13.813 1.00 72.51 H new ATOM 1037 N VAL A 64 8.418 -8.561 9.782 1.00 75.24 N ATOM 1038 CA VAL A 64 8.192 -7.175 9.315 1.00 3.33 C ATOM 1039 C VAL A 64 8.824 -6.932 7.933 1.00 72.21 C ATOM 1040 O VAL A 64 8.168 -6.382 7.059 1.00 74.23 O ATOM 1041 CB VAL A 64 8.721 -6.133 10.378 1.00 42.14 C ATOM 1042 CG1 VAL A 64 8.862 -4.705 9.810 1.00 24.31 C ATOM 1043 CG2 VAL A 64 7.805 -6.139 11.625 1.00 3.54 C ATOM 0 H VAL A 64 8.874 -8.612 10.693 1.00 75.24 H new ATOM 0 HA VAL A 64 7.117 -7.033 9.207 1.00 3.33 H new ATOM 0 HB VAL A 64 9.726 -6.448 10.661 1.00 42.14 H new ATOM 0 HG11 VAL A 64 9.229 -4.038 10.590 1.00 24.31 H new ATOM 0 HG12 VAL A 64 9.566 -4.712 8.978 1.00 24.31 H new ATOM 0 HG13 VAL A 64 7.891 -4.355 9.461 1.00 24.31 H new ATOM 0 HG21 VAL A 64 8.177 -5.418 12.353 1.00 3.54 H new ATOM 0 HG22 VAL A 64 6.790 -5.869 11.332 1.00 3.54 H new ATOM 0 HG23 VAL A 64 7.802 -7.134 12.069 1.00 3.54 H new ATOM 1053 N ALA A 65 10.071 -7.396 7.737 1.00 74.11 N ATOM 1054 CA ALA A 65 10.788 -7.241 6.453 1.00 45.14 C ATOM 1055 C ALA A 65 10.106 -8.036 5.331 1.00 44.12 C ATOM 1056 O ALA A 65 10.092 -7.590 4.185 1.00 50.24 O ATOM 1057 CB ALA A 65 12.257 -7.662 6.572 1.00 55.13 C ATOM 0 H ALA A 65 10.608 -7.884 8.454 1.00 74.11 H new ATOM 0 HA ALA A 65 10.754 -6.182 6.199 1.00 45.14 H new ATOM 0 HB1 ALA A 65 12.751 -7.534 5.609 1.00 55.13 H new ATOM 0 HB2 ALA A 65 12.753 -7.043 7.320 1.00 55.13 H new ATOM 0 HB3 ALA A 65 12.312 -8.708 6.872 1.00 55.13 H new ATOM 1063 N GLY A 66 9.548 -9.212 5.680 1.00 64.21 N ATOM 1064 CA GLY A 66 8.788 -10.028 4.729 1.00 21.43 C ATOM 1065 C GLY A 66 7.513 -9.330 4.262 1.00 21.21 C ATOM 1066 O GLY A 66 7.172 -9.365 3.071 1.00 71.45 O ATOM 0 H GLY A 66 9.613 -9.613 6.616 1.00 64.21 H new ATOM 0 HA2 GLY A 66 9.414 -10.254 3.866 1.00 21.43 H new ATOM 0 HA3 GLY A 66 8.530 -10.980 5.194 1.00 21.43 H new ATOM 1070 N TYR A 67 6.839 -8.656 5.211 1.00 5.21 N ATOM 1071 CA TYR A 67 5.593 -7.913 4.947 1.00 12.43 C ATOM 1072 C TYR A 67 5.887 -6.620 4.168 1.00 3.43 C ATOM 1073 O TYR A 67 5.096 -6.208 3.322 1.00 0.34 O ATOM 1074 CB TYR A 67 4.879 -7.573 6.274 1.00 64.21 C ATOM 1075 CG TYR A 67 4.548 -8.777 7.172 1.00 34.14 C ATOM 1076 CD1 TYR A 67 4.638 -8.678 8.566 1.00 10.34 C ATOM 1077 CD2 TYR A 67 4.141 -10.006 6.634 1.00 44.34 C ATOM 1078 CE1 TYR A 67 4.342 -9.753 9.380 1.00 72.53 C ATOM 1079 CE2 TYR A 67 3.846 -11.081 7.452 1.00 41.15 C ATOM 1080 CZ TYR A 67 3.948 -10.949 8.819 1.00 41.11 C ATOM 1081 OH TYR A 67 3.654 -12.020 9.632 1.00 14.42 O ATOM 0 H TYR A 67 7.143 -8.611 6.184 1.00 5.21 H new ATOM 0 HA TYR A 67 4.942 -8.545 4.344 1.00 12.43 H new ATOM 0 HB2 TYR A 67 5.506 -6.882 6.838 1.00 64.21 H new ATOM 0 HB3 TYR A 67 3.952 -7.047 6.044 1.00 64.21 H new ATOM 0 HD1 TYR A 67 4.945 -7.744 9.012 1.00 10.34 H new ATOM 0 HD2 TYR A 67 4.056 -10.115 5.563 1.00 44.34 H new ATOM 0 HE1 TYR A 67 4.419 -9.657 10.453 1.00 72.53 H new ATOM 0 HE2 TYR A 67 3.537 -12.021 7.020 1.00 41.15 H new ATOM 0 HH TYR A 67 3.392 -12.787 9.081 1.00 14.42 H new ATOM 1091 N ILE A 68 7.038 -6.004 4.488 1.00 64.04 N ATOM 1092 CA ILE A 68 7.541 -4.792 3.823 1.00 53.24 C ATOM 1093 C ILE A 68 7.902 -5.103 2.362 1.00 34.12 C ATOM 1094 O ILE A 68 7.524 -4.363 1.463 1.00 70.14 O ATOM 1095 CB ILE A 68 8.783 -4.188 4.598 1.00 73.21 C ATOM 1096 CG1 ILE A 68 8.316 -3.464 5.905 1.00 1.03 C ATOM 1097 CG2 ILE A 68 9.633 -3.248 3.709 1.00 24.25 C ATOM 1098 CD1 ILE A 68 9.436 -2.886 6.756 1.00 52.45 C ATOM 0 H ILE A 68 7.654 -6.341 5.228 1.00 64.04 H new ATOM 0 HA ILE A 68 6.752 -4.040 3.834 1.00 53.24 H new ATOM 0 HB ILE A 68 9.429 -5.021 4.875 1.00 73.21 H new ATOM 0 HG12 ILE A 68 7.635 -2.658 5.632 1.00 1.03 H new ATOM 0 HG13 ILE A 68 7.748 -4.170 6.510 1.00 1.03 H new ATOM 0 HG21 ILE A 68 10.472 -2.860 4.287 1.00 24.25 H new ATOM 0 HG22 ILE A 68 10.010 -3.802 2.850 1.00 24.25 H new ATOM 0 HG23 ILE A 68 9.016 -2.418 3.363 1.00 24.25 H new ATOM 0 HD11 ILE A 68 9.012 -2.406 7.638 1.00 52.45 H new ATOM 0 HD12 ILE A 68 10.107 -3.687 7.066 1.00 52.45 H new ATOM 0 HD13 ILE A 68 9.992 -2.151 6.175 1.00 52.45 H new ATOM 1110 N LYS A 69 8.599 -6.235 2.146 1.00 41.22 N ATOM 1111 CA LYS A 69 9.059 -6.649 0.810 1.00 51.24 C ATOM 1112 C LYS A 69 7.842 -6.987 -0.061 1.00 42.50 C ATOM 1113 O LYS A 69 7.780 -6.617 -1.246 1.00 24.00 O ATOM 1114 CB LYS A 69 10.018 -7.867 0.913 1.00 31.23 C ATOM 1115 CG LYS A 69 10.845 -8.133 -0.366 1.00 21.32 C ATOM 1116 CD LYS A 69 11.808 -6.961 -0.692 1.00 55.11 C ATOM 1117 CE LYS A 69 12.723 -7.244 -1.892 1.00 31.21 C ATOM 1118 NZ LYS A 69 13.593 -8.432 -1.669 1.00 10.31 N ATOM 0 H LYS A 69 8.857 -6.884 2.889 1.00 41.22 H new ATOM 0 HA LYS A 69 9.612 -5.830 0.350 1.00 51.24 H new ATOM 0 HB2 LYS A 69 10.701 -7.708 1.747 1.00 31.23 H new ATOM 0 HB3 LYS A 69 9.433 -8.757 1.146 1.00 31.23 H new ATOM 0 HG2 LYS A 69 11.420 -9.050 -0.241 1.00 21.32 H new ATOM 0 HG3 LYS A 69 10.170 -8.292 -1.207 1.00 21.32 H new ATOM 0 HD2 LYS A 69 11.223 -6.064 -0.894 1.00 55.11 H new ATOM 0 HD3 LYS A 69 12.423 -6.750 0.183 1.00 55.11 H new ATOM 0 HE2 LYS A 69 12.114 -7.404 -2.781 1.00 31.21 H new ATOM 0 HE3 LYS A 69 13.346 -6.371 -2.085 1.00 31.21 H new ATOM 0 HZ1 LYS A 69 14.317 -8.477 -2.414 1.00 10.31 H new ATOM 0 HZ2 LYS A 69 14.055 -8.354 -0.741 1.00 10.31 H new ATOM 0 HZ3 LYS A 69 13.015 -9.296 -1.696 1.00 10.31 H new ATOM 1132 N GLN A 70 6.865 -7.664 0.580 1.00 11.52 N ATOM 1133 CA GLN A 70 5.585 -8.025 -0.038 1.00 64.24 C ATOM 1134 C GLN A 70 4.847 -6.774 -0.506 1.00 52.24 C ATOM 1135 O GLN A 70 4.563 -6.633 -1.693 1.00 12.03 O ATOM 1136 CB GLN A 70 4.698 -8.828 0.958 1.00 34.20 C ATOM 1137 CG GLN A 70 3.336 -9.303 0.385 1.00 73.41 C ATOM 1138 CD GLN A 70 3.433 -10.411 -0.682 1.00 3.30 C ATOM 1139 OE1 GLN A 70 4.433 -10.550 -1.386 1.00 71.11 O ATOM 1140 NE2 GLN A 70 2.367 -11.179 -0.847 1.00 41.03 N ATOM 0 H GLN A 70 6.950 -7.975 1.548 1.00 11.52 H new ATOM 0 HA GLN A 70 5.792 -8.656 -0.903 1.00 64.24 H new ATOM 0 HB2 GLN A 70 5.257 -9.700 1.297 1.00 34.20 H new ATOM 0 HB3 GLN A 70 4.510 -8.209 1.835 1.00 34.20 H new ATOM 0 HG2 GLN A 70 2.718 -9.664 1.207 1.00 73.41 H new ATOM 0 HG3 GLN A 70 2.821 -8.445 -0.048 1.00 73.41 H new ATOM 0 HE21 GLN A 70 1.548 -11.049 -0.254 1.00 41.03 H new ATOM 0 HE22 GLN A 70 2.365 -11.901 -1.567 1.00 41.03 H new ATOM 1149 N THR A 71 4.615 -5.836 0.431 1.00 64.14 N ATOM 1150 CA THR A 71 3.780 -4.665 0.165 1.00 74.20 C ATOM 1151 C THR A 71 4.459 -3.678 -0.794 1.00 33.35 C ATOM 1152 O THR A 71 3.774 -3.045 -1.567 1.00 54.03 O ATOM 1153 CB THR A 71 3.320 -3.941 1.470 1.00 23.42 C ATOM 1154 OG1 THR A 71 2.284 -3.000 1.152 1.00 31.31 O ATOM 1155 CG2 THR A 71 4.454 -3.206 2.210 1.00 2.43 C ATOM 0 H THR A 71 4.997 -5.872 1.376 1.00 64.14 H new ATOM 0 HA THR A 71 2.884 -5.047 -0.324 1.00 74.20 H new ATOM 0 HB THR A 71 2.960 -4.720 2.142 1.00 23.42 H new ATOM 0 HG1 THR A 71 2.538 -2.111 1.478 1.00 31.31 H new ATOM 0 HG21 THR A 71 4.055 -2.729 3.105 1.00 2.43 H new ATOM 0 HG22 THR A 71 5.227 -3.921 2.494 1.00 2.43 H new ATOM 0 HG23 THR A 71 4.884 -2.448 1.556 1.00 2.43 H new ATOM 1163 N LEU A 72 5.801 -3.563 -0.743 1.00 74.43 N ATOM 1164 CA LEU A 72 6.556 -2.687 -1.669 1.00 30.00 C ATOM 1165 C LEU A 72 6.510 -3.246 -3.100 1.00 62.25 C ATOM 1166 O LEU A 72 6.359 -2.484 -4.055 1.00 4.23 O ATOM 1167 CB LEU A 72 8.028 -2.481 -1.209 1.00 62.00 C ATOM 1168 CG LEU A 72 8.235 -1.557 0.035 1.00 63.22 C ATOM 1169 CD1 LEU A 72 9.732 -1.432 0.397 1.00 63.53 C ATOM 1170 CD2 LEU A 72 7.597 -0.169 -0.194 1.00 31.44 C ATOM 0 H LEU A 72 6.386 -4.063 -0.073 1.00 74.43 H new ATOM 0 HA LEU A 72 6.073 -1.710 -1.657 1.00 30.00 H new ATOM 0 HB2 LEU A 72 8.458 -3.458 -0.987 1.00 62.00 H new ATOM 0 HB3 LEU A 72 8.594 -2.066 -2.043 1.00 62.00 H new ATOM 0 HG LEU A 72 7.730 -2.021 0.882 1.00 63.22 H new ATOM 0 HD11 LEU A 72 9.843 -0.783 1.266 1.00 63.53 H new ATOM 0 HD12 LEU A 72 10.134 -2.419 0.627 1.00 63.53 H new ATOM 0 HD13 LEU A 72 10.276 -1.006 -0.446 1.00 63.53 H new ATOM 0 HD21 LEU A 72 7.755 0.454 0.686 1.00 31.44 H new ATOM 0 HD22 LEU A 72 8.057 0.304 -1.061 1.00 31.44 H new ATOM 0 HD23 LEU A 72 6.527 -0.285 -0.369 1.00 31.44 H new ATOM 1182 N ASP A 73 6.631 -4.588 -3.227 1.00 43.23 N ATOM 1183 CA ASP A 73 6.542 -5.285 -4.532 1.00 23.15 C ATOM 1184 C ASP A 73 5.138 -5.099 -5.130 1.00 22.50 C ATOM 1185 O ASP A 73 4.988 -4.614 -6.259 1.00 13.02 O ATOM 1186 CB ASP A 73 6.855 -6.805 -4.377 1.00 71.31 C ATOM 1187 CG ASP A 73 6.778 -7.575 -5.713 1.00 3.55 C ATOM 1188 OD1 ASP A 73 7.767 -7.554 -6.477 1.00 50.51 O ATOM 1189 OD2 ASP A 73 5.734 -8.203 -5.998 1.00 43.23 O ATOM 0 H ASP A 73 6.791 -5.213 -2.437 1.00 43.23 H new ATOM 0 HA ASP A 73 7.283 -4.850 -5.203 1.00 23.15 H new ATOM 0 HB2 ASP A 73 7.852 -6.924 -3.952 1.00 71.31 H new ATOM 0 HB3 ASP A 73 6.152 -7.245 -3.669 1.00 71.31 H new ATOM 1194 N ASN A 74 4.122 -5.430 -4.319 1.00 51.31 N ATOM 1195 CA ASN A 74 2.713 -5.442 -4.739 1.00 10.04 C ATOM 1196 C ASN A 74 2.191 -4.033 -5.008 1.00 41.34 C ATOM 1197 O ASN A 74 1.386 -3.838 -5.919 1.00 24.43 O ATOM 1198 CB ASN A 74 1.829 -6.125 -3.668 1.00 1.42 C ATOM 1199 CG ASN A 74 2.180 -7.592 -3.393 1.00 53.42 C ATOM 1200 OD1 ASN A 74 1.988 -8.076 -2.284 1.00 44.24 O ATOM 1201 ND2 ASN A 74 2.690 -8.318 -4.386 1.00 41.21 N ATOM 0 H ASN A 74 4.257 -5.699 -3.344 1.00 51.31 H new ATOM 0 HA ASN A 74 2.661 -6.010 -5.668 1.00 10.04 H new ATOM 0 HB2 ASN A 74 1.911 -5.565 -2.737 1.00 1.42 H new ATOM 0 HB3 ASN A 74 0.788 -6.067 -3.984 1.00 1.42 H new ATOM 0 HD21 ASN A 74 2.929 -9.297 -4.231 1.00 41.21 H new ATOM 0 HD22 ASN A 74 2.842 -7.895 -5.302 1.00 41.21 H new ATOM 1208 N GLU A 75 2.657 -3.059 -4.211 1.00 4.45 N ATOM 1209 CA GLU A 75 2.230 -1.660 -4.340 1.00 0.53 C ATOM 1210 C GLU A 75 2.954 -0.965 -5.500 1.00 54.54 C ATOM 1211 O GLU A 75 2.392 -0.068 -6.115 1.00 10.52 O ATOM 1212 CB GLU A 75 2.461 -0.867 -3.043 1.00 34.34 C ATOM 1213 CG GLU A 75 1.902 0.562 -3.082 1.00 4.32 C ATOM 1214 CD GLU A 75 2.436 1.448 -1.969 1.00 21.14 C ATOM 1215 OE1 GLU A 75 1.702 1.701 -0.987 1.00 52.43 O ATOM 1216 OE2 GLU A 75 3.599 1.907 -2.098 1.00 21.34 O ATOM 0 H GLU A 75 3.335 -3.218 -3.465 1.00 4.45 H new ATOM 0 HA GLU A 75 1.160 -1.679 -4.545 1.00 0.53 H new ATOM 0 HB2 GLU A 75 2.002 -1.404 -2.213 1.00 34.34 H new ATOM 0 HB3 GLU A 75 3.531 -0.823 -2.841 1.00 34.34 H new ATOM 0 HG2 GLU A 75 2.145 1.013 -4.044 1.00 4.32 H new ATOM 0 HG3 GLU A 75 0.815 0.521 -3.014 1.00 4.32 H new ATOM 1223 N GLN A 76 4.205 -1.356 -5.781 1.00 53.55 N ATOM 1224 CA GLN A 76 4.946 -0.827 -6.942 1.00 2.35 C ATOM 1225 C GLN A 76 4.272 -1.314 -8.238 1.00 61.50 C ATOM 1226 O GLN A 76 4.120 -0.558 -9.203 1.00 13.13 O ATOM 1227 CB GLN A 76 6.426 -1.263 -6.886 1.00 51.23 C ATOM 1228 CG GLN A 76 7.352 -0.486 -7.835 1.00 45.12 C ATOM 1229 CD GLN A 76 8.808 -0.945 -7.778 1.00 44.01 C ATOM 1230 OE1 GLN A 76 9.100 -2.118 -7.538 1.00 61.24 O ATOM 1231 NE2 GLN A 76 9.730 -0.029 -8.003 1.00 44.13 N ATOM 0 H GLN A 76 4.726 -2.034 -5.225 1.00 53.55 H new ATOM 0 HA GLN A 76 4.925 0.263 -6.921 1.00 2.35 H new ATOM 0 HB2 GLN A 76 6.789 -1.144 -5.865 1.00 51.23 H new ATOM 0 HB3 GLN A 76 6.489 -2.325 -7.125 1.00 51.23 H new ATOM 0 HG2 GLN A 76 6.985 -0.593 -8.856 1.00 45.12 H new ATOM 0 HG3 GLN A 76 7.304 0.575 -7.589 1.00 45.12 H new ATOM 0 HE21 GLN A 76 9.455 0.934 -8.199 1.00 44.13 H new ATOM 0 HE22 GLN A 76 10.718 -0.283 -7.981 1.00 44.13 H new ATOM 1240 N LEU A 77 3.839 -2.588 -8.206 1.00 42.02 N ATOM 1241 CA LEU A 77 3.019 -3.198 -9.264 1.00 11.31 C ATOM 1242 C LEU A 77 1.620 -2.537 -9.328 1.00 51.14 C ATOM 1243 O LEU A 77 1.067 -2.382 -10.419 1.00 64.13 O ATOM 1244 CB LEU A 77 2.904 -4.728 -9.020 1.00 63.41 C ATOM 1245 CG LEU A 77 4.163 -5.580 -9.375 1.00 63.01 C ATOM 1246 CD1 LEU A 77 4.072 -7.003 -8.785 1.00 73.12 C ATOM 1247 CD2 LEU A 77 4.362 -5.635 -10.901 1.00 54.03 C ATOM 0 H LEU A 77 4.051 -3.226 -7.439 1.00 42.02 H new ATOM 0 HA LEU A 77 3.503 -3.033 -10.227 1.00 11.31 H new ATOM 0 HB2 LEU A 77 2.666 -4.890 -7.969 1.00 63.41 H new ATOM 0 HB3 LEU A 77 2.061 -5.105 -9.599 1.00 63.41 H new ATOM 0 HG LEU A 77 5.030 -5.095 -8.926 1.00 63.01 H new ATOM 0 HD11 LEU A 77 4.966 -7.566 -9.053 1.00 73.12 H new ATOM 0 HD12 LEU A 77 3.993 -6.942 -7.700 1.00 73.12 H new ATOM 0 HD13 LEU A 77 3.192 -7.507 -9.185 1.00 73.12 H new ATOM 0 HD21 LEU A 77 5.244 -6.233 -11.132 1.00 54.03 H new ATOM 0 HD22 LEU A 77 3.486 -6.087 -11.366 1.00 54.03 H new ATOM 0 HD23 LEU A 77 4.497 -4.625 -11.287 1.00 54.03 H new ATOM 1259 N LEU A 78 1.072 -2.143 -8.146 1.00 1.23 N ATOM 1260 CA LEU A 78 -0.220 -1.423 -8.052 1.00 22.44 C ATOM 1261 C LEU A 78 -0.130 -0.078 -8.780 1.00 71.21 C ATOM 1262 O LEU A 78 -0.757 0.089 -9.804 1.00 31.14 O ATOM 1263 CB LEU A 78 -0.667 -1.212 -6.558 1.00 1.22 C ATOM 1264 CG LEU A 78 -1.623 -2.289 -5.961 1.00 61.41 C ATOM 1265 CD1 LEU A 78 -1.730 -2.177 -4.422 1.00 54.22 C ATOM 1266 CD2 LEU A 78 -3.012 -2.182 -6.620 1.00 43.43 C ATOM 0 H LEU A 78 1.512 -2.315 -7.242 1.00 1.23 H new ATOM 0 HA LEU A 78 -0.978 -2.040 -8.534 1.00 22.44 H new ATOM 0 HB2 LEU A 78 0.228 -1.168 -5.937 1.00 1.22 H new ATOM 0 HB3 LEU A 78 -1.156 -0.241 -6.482 1.00 1.22 H new ATOM 0 HG LEU A 78 -1.202 -3.271 -6.178 1.00 61.41 H new ATOM 0 HD11 LEU A 78 -2.406 -2.946 -4.047 1.00 54.22 H new ATOM 0 HD12 LEU A 78 -0.744 -2.313 -3.978 1.00 54.22 H new ATOM 0 HD13 LEU A 78 -2.116 -1.193 -4.155 1.00 54.22 H new ATOM 0 HD21 LEU A 78 -3.674 -2.938 -6.198 1.00 43.43 H new ATOM 0 HD22 LEU A 78 -3.427 -1.191 -6.435 1.00 43.43 H new ATOM 0 HD23 LEU A 78 -2.918 -2.341 -7.694 1.00 43.43 H new ATOM 1278 N LYS A 79 0.716 0.845 -8.282 1.00 14.41 N ATOM 1279 CA LYS A 79 0.809 2.210 -8.830 1.00 31.01 C ATOM 1280 C LYS A 79 1.368 2.233 -10.259 1.00 73.14 C ATOM 1281 O LYS A 79 1.039 3.137 -11.013 1.00 2.30 O ATOM 1282 CB LYS A 79 1.578 3.182 -7.886 1.00 10.33 C ATOM 1283 CG LYS A 79 2.986 2.743 -7.448 1.00 21.52 C ATOM 1284 CD LYS A 79 3.633 3.757 -6.468 1.00 34.40 C ATOM 1285 CE LYS A 79 4.880 3.200 -5.767 1.00 3.41 C ATOM 1286 NZ LYS A 79 4.560 2.081 -4.826 1.00 65.54 N ATOM 0 H LYS A 79 1.346 0.668 -7.499 1.00 14.41 H new ATOM 0 HA LYS A 79 -0.215 2.580 -8.890 1.00 31.01 H new ATOM 0 HB2 LYS A 79 1.661 4.147 -8.385 1.00 10.33 H new ATOM 0 HB3 LYS A 79 0.975 3.337 -6.991 1.00 10.33 H new ATOM 0 HG2 LYS A 79 2.929 1.764 -6.971 1.00 21.52 H new ATOM 0 HG3 LYS A 79 3.621 2.633 -8.327 1.00 21.52 H new ATOM 0 HD2 LYS A 79 3.903 4.661 -7.014 1.00 34.40 H new ATOM 0 HD3 LYS A 79 2.899 4.047 -5.716 1.00 34.40 H new ATOM 0 HE2 LYS A 79 5.587 2.847 -6.518 1.00 3.41 H new ATOM 0 HE3 LYS A 79 5.372 4.002 -5.217 1.00 3.41 H new ATOM 0 HZ1 LYS A 79 5.387 1.457 -4.735 1.00 65.54 H new ATOM 0 HZ2 LYS A 79 4.316 2.471 -3.893 1.00 65.54 H new ATOM 0 HZ3 LYS A 79 3.755 1.537 -5.195 1.00 65.54 H new ATOM 1300 N GLY A 80 2.181 1.225 -10.627 1.00 73.42 N ATOM 1301 CA GLY A 80 2.640 1.069 -12.013 1.00 53.20 C ATOM 1302 C GLY A 80 1.491 0.745 -12.969 1.00 22.03 C ATOM 1303 O GLY A 80 1.233 1.492 -13.935 1.00 53.23 O ATOM 0 H GLY A 80 2.530 0.513 -9.986 1.00 73.42 H new ATOM 0 HA2 GLY A 80 3.132 1.986 -12.336 1.00 53.20 H new ATOM 0 HA3 GLY A 80 3.385 0.274 -12.060 1.00 53.20 H new ATOM 1307 N LEU A 81 0.781 -0.362 -12.667 1.00 32.35 N ATOM 1308 CA LEU A 81 -0.368 -0.832 -13.460 1.00 31.21 C ATOM 1309 C LEU A 81 -1.460 0.244 -13.526 1.00 54.30 C ATOM 1310 O LEU A 81 -1.884 0.611 -14.601 1.00 54.54 O ATOM 1311 CB LEU A 81 -0.913 -2.168 -12.866 1.00 53.12 C ATOM 1312 CG LEU A 81 -2.220 -2.779 -13.516 1.00 32.24 C ATOM 1313 CD1 LEU A 81 -2.192 -4.317 -13.497 1.00 54.31 C ATOM 1314 CD2 LEU A 81 -3.514 -2.273 -12.819 1.00 14.22 C ATOM 0 H LEU A 81 0.991 -0.955 -11.864 1.00 32.35 H new ATOM 0 HA LEU A 81 -0.040 -1.023 -14.482 1.00 31.21 H new ATOM 0 HB2 LEU A 81 -0.122 -2.915 -12.937 1.00 53.12 H new ATOM 0 HB3 LEU A 81 -1.108 -2.009 -11.805 1.00 53.12 H new ATOM 0 HG LEU A 81 -2.234 -2.437 -14.551 1.00 32.24 H new ATOM 0 HD11 LEU A 81 -3.105 -4.703 -13.951 1.00 54.31 H new ATOM 0 HD12 LEU A 81 -1.329 -4.672 -14.059 1.00 54.31 H new ATOM 0 HD13 LEU A 81 -2.123 -4.667 -12.467 1.00 54.31 H new ATOM 0 HD21 LEU A 81 -4.385 -2.719 -13.300 1.00 14.22 H new ATOM 0 HD22 LEU A 81 -3.495 -2.557 -11.767 1.00 14.22 H new ATOM 0 HD23 LEU A 81 -3.571 -1.188 -12.901 1.00 14.22 H new ATOM 1326 N LEU A 82 -1.856 0.750 -12.355 1.00 12.24 N ATOM 1327 CA LEU A 82 -2.940 1.733 -12.195 1.00 25.24 C ATOM 1328 C LEU A 82 -2.617 3.059 -12.885 1.00 43.41 C ATOM 1329 O LEU A 82 -3.517 3.692 -13.414 1.00 52.20 O ATOM 1330 CB LEU A 82 -3.220 1.960 -10.697 1.00 70.23 C ATOM 1331 CG LEU A 82 -3.880 0.763 -9.955 1.00 61.21 C ATOM 1332 CD1 LEU A 82 -3.727 0.904 -8.438 1.00 33.21 C ATOM 1333 CD2 LEU A 82 -5.357 0.634 -10.350 1.00 54.34 C ATOM 0 H LEU A 82 -1.425 0.484 -11.470 1.00 12.24 H new ATOM 0 HA LEU A 82 -3.832 1.329 -12.675 1.00 25.24 H new ATOM 0 HB2 LEU A 82 -2.280 2.200 -10.201 1.00 70.23 H new ATOM 0 HB3 LEU A 82 -3.866 2.831 -10.593 1.00 70.23 H new ATOM 0 HG LEU A 82 -3.366 -0.150 -10.256 1.00 61.21 H new ATOM 0 HD11 LEU A 82 -4.197 0.054 -7.944 1.00 33.21 H new ATOM 0 HD12 LEU A 82 -2.668 0.933 -8.180 1.00 33.21 H new ATOM 0 HD13 LEU A 82 -4.206 1.826 -8.108 1.00 33.21 H new ATOM 0 HD21 LEU A 82 -5.803 -0.209 -9.821 1.00 54.34 H new ATOM 0 HD22 LEU A 82 -5.886 1.550 -10.085 1.00 54.34 H new ATOM 0 HD23 LEU A 82 -5.433 0.469 -11.425 1.00 54.34 H new ATOM 1345 N GLN A 83 -1.339 3.475 -12.863 1.00 32.24 N ATOM 1346 CA GLN A 83 -0.891 4.655 -13.621 1.00 74.01 C ATOM 1347 C GLN A 83 -1.101 4.422 -15.125 1.00 35.24 C ATOM 1348 O GLN A 83 -1.618 5.290 -15.820 1.00 21.13 O ATOM 1349 CB GLN A 83 0.592 4.945 -13.346 1.00 11.44 C ATOM 1350 CG GLN A 83 1.165 6.168 -14.078 1.00 63.15 C ATOM 1351 CD GLN A 83 2.686 6.179 -14.047 1.00 43.34 C ATOM 1352 OE1 GLN A 83 3.306 6.731 -13.146 1.00 4.14 O ATOM 1353 NE2 GLN A 83 3.287 5.521 -15.014 1.00 4.13 N ATOM 0 H GLN A 83 -0.601 3.014 -12.331 1.00 32.24 H new ATOM 0 HA GLN A 83 -1.481 5.514 -13.301 1.00 74.01 H new ATOM 0 HB2 GLN A 83 0.725 5.088 -12.274 1.00 11.44 H new ATOM 0 HB3 GLN A 83 1.175 4.068 -13.626 1.00 11.44 H new ATOM 0 HG2 GLN A 83 0.822 6.167 -15.113 1.00 63.15 H new ATOM 0 HG3 GLN A 83 0.785 7.080 -13.617 1.00 63.15 H new ATOM 0 HE21 GLN A 83 2.735 5.075 -15.747 1.00 4.13 H new ATOM 0 HE22 GLN A 83 4.305 5.457 -15.031 1.00 4.13 H new ATOM 1362 N GLN A 84 -0.705 3.216 -15.591 1.00 21.41 N ATOM 1363 CA GLN A 84 -0.861 2.789 -17.000 1.00 43.44 C ATOM 1364 C GLN A 84 -2.352 2.717 -17.403 1.00 11.15 C ATOM 1365 O GLN A 84 -2.723 3.149 -18.498 1.00 62.54 O ATOM 1366 CB GLN A 84 -0.166 1.409 -17.217 1.00 42.22 C ATOM 1367 CG GLN A 84 -0.193 0.857 -18.664 1.00 14.11 C ATOM 1368 CD GLN A 84 0.650 1.657 -19.674 1.00 12.30 C ATOM 1369 OE1 GLN A 84 0.815 2.875 -19.562 1.00 21.15 O ATOM 1370 NE2 GLN A 84 1.193 0.976 -20.673 1.00 54.31 N ATOM 0 H GLN A 84 -0.267 2.510 -14.999 1.00 21.41 H new ATOM 0 HA GLN A 84 -0.383 3.532 -17.638 1.00 43.44 H new ATOM 0 HB2 GLN A 84 0.874 1.494 -16.901 1.00 42.22 H new ATOM 0 HB3 GLN A 84 -0.640 0.678 -16.561 1.00 42.22 H new ATOM 0 HG2 GLN A 84 0.161 -0.174 -18.652 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -1.226 0.835 -19.011 1.00 14.11 H new ATOM 0 HE21 GLN A 84 1.043 -0.030 -20.745 1.00 54.31 H new ATOM 0 HE22 GLN A 84 1.761 1.458 -21.370 1.00 54.31 H new ATOM 1379 N ARG A 85 -3.204 2.226 -16.479 1.00 41.42 N ATOM 1380 CA ARG A 85 -4.641 2.018 -16.753 1.00 34.21 C ATOM 1381 C ARG A 85 -5.360 3.365 -16.804 1.00 22.33 C ATOM 1382 O ARG A 85 -6.114 3.619 -17.723 1.00 64.14 O ATOM 1383 CB ARG A 85 -5.319 1.093 -15.705 1.00 44.22 C ATOM 1384 CG ARG A 85 -4.696 -0.309 -15.566 1.00 0.04 C ATOM 1385 CD ARG A 85 -4.549 -1.065 -16.893 1.00 74.44 C ATOM 1386 NE ARG A 85 -5.840 -1.268 -17.574 1.00 11.21 N ATOM 1387 CZ ARG A 85 -6.540 -2.417 -17.594 1.00 11.55 C ATOM 1388 NH1 ARG A 85 -6.097 -3.506 -16.960 1.00 42.22 N ATOM 1389 NH2 ARG A 85 -7.679 -2.470 -18.259 1.00 5.04 N ATOM 0 H ARG A 85 -2.920 1.966 -15.534 1.00 41.42 H new ATOM 0 HA ARG A 85 -4.718 1.519 -17.719 1.00 34.21 H new ATOM 0 HB2 ARG A 85 -5.285 1.586 -14.733 1.00 44.22 H new ATOM 0 HB3 ARG A 85 -6.371 0.981 -15.969 1.00 44.22 H new ATOM 0 HG2 ARG A 85 -3.713 -0.214 -15.104 1.00 0.04 H new ATOM 0 HG3 ARG A 85 -5.310 -0.902 -14.889 1.00 0.04 H new ATOM 0 HD2 ARG A 85 -3.879 -0.511 -17.550 1.00 74.44 H new ATOM 0 HD3 ARG A 85 -4.084 -2.033 -16.706 1.00 74.44 H new ATOM 0 HE ARG A 85 -6.236 -0.471 -18.072 1.00 11.21 H new ATOM 0 HH11 ARG A 85 -5.214 -3.475 -16.450 1.00 42.22 H new ATOM 0 HH12 ARG A 85 -6.641 -4.368 -16.986 1.00 42.22 H new ATOM 0 HH21 ARG A 85 -8.021 -1.645 -18.751 1.00 5.04 H new ATOM 0 HH22 ARG A 85 -8.217 -3.336 -18.280 1.00 5.04 H new ATOM 1403 N LEU A 86 -5.092 4.223 -15.805 1.00 33.51 N ATOM 1404 CA LEU A 86 -5.629 5.597 -15.749 1.00 42.40 C ATOM 1405 C LEU A 86 -5.061 6.463 -16.887 1.00 13.02 C ATOM 1406 O LEU A 86 -5.696 7.430 -17.293 1.00 33.13 O ATOM 1407 CB LEU A 86 -5.336 6.258 -14.375 1.00 24.50 C ATOM 1408 CG LEU A 86 -6.051 5.632 -13.137 1.00 43.13 C ATOM 1409 CD1 LEU A 86 -5.562 6.291 -11.829 1.00 4.43 C ATOM 1410 CD2 LEU A 86 -7.589 5.715 -13.272 1.00 30.44 C ATOM 0 H LEU A 86 -4.496 3.985 -15.012 1.00 33.51 H new ATOM 0 HA LEU A 86 -6.710 5.529 -15.875 1.00 42.40 H new ATOM 0 HB2 LEU A 86 -4.260 6.224 -14.202 1.00 24.50 H new ATOM 0 HB3 LEU A 86 -5.616 7.310 -14.435 1.00 24.50 H new ATOM 0 HG LEU A 86 -5.787 4.575 -13.097 1.00 43.13 H new ATOM 0 HD11 LEU A 86 -6.074 5.838 -10.980 1.00 4.43 H new ATOM 0 HD12 LEU A 86 -4.487 6.142 -11.726 1.00 4.43 H new ATOM 0 HD13 LEU A 86 -5.779 7.359 -11.856 1.00 4.43 H new ATOM 0 HD21 LEU A 86 -8.056 5.270 -12.393 1.00 30.44 H new ATOM 0 HD22 LEU A 86 -7.891 6.759 -13.354 1.00 30.44 H new ATOM 0 HD23 LEU A 86 -7.906 5.174 -14.164 1.00 30.44 H new ATOM 1422 N ASP A 87 -3.861 6.105 -17.385 1.00 3.12 N ATOM 1423 CA ASP A 87 -3.252 6.769 -18.556 1.00 34.43 C ATOM 1424 C ASP A 87 -4.121 6.494 -19.790 1.00 71.22 C ATOM 1425 O ASP A 87 -4.483 7.422 -20.525 1.00 45.11 O ATOM 1426 CB ASP A 87 -1.803 6.269 -18.803 1.00 21.52 C ATOM 1427 CG ASP A 87 -1.083 7.002 -19.956 1.00 64.54 C ATOM 1428 OD1 ASP A 87 -1.171 6.550 -21.123 1.00 5.44 O ATOM 1429 OD2 ASP A 87 -0.420 8.020 -19.693 1.00 2.20 O ATOM 0 H ASP A 87 -3.291 5.356 -16.992 1.00 3.12 H new ATOM 0 HA ASP A 87 -3.201 7.841 -18.363 1.00 34.43 H new ATOM 0 HB2 ASP A 87 -1.224 6.393 -17.888 1.00 21.52 H new ATOM 0 HB3 ASP A 87 -1.829 5.202 -19.022 1.00 21.52 H new ATOM 1434 N GLU A 88 -4.476 5.199 -19.969 1.00 10.23 N ATOM 1435 CA GLU A 88 -5.386 4.747 -21.040 1.00 61.50 C ATOM 1436 C GLU A 88 -6.752 5.444 -20.912 1.00 64.01 C ATOM 1437 O GLU A 88 -7.130 6.211 -21.790 1.00 0.54 O ATOM 1438 CB GLU A 88 -5.563 3.203 -20.993 1.00 73.44 C ATOM 1439 CG GLU A 88 -4.257 2.414 -21.206 1.00 5.52 C ATOM 1440 CD GLU A 88 -4.424 0.901 -21.025 1.00 63.42 C ATOM 1441 OE1 GLU A 88 -4.254 0.140 -22.009 1.00 10.01 O ATOM 1442 OE2 GLU A 88 -4.755 0.471 -19.900 1.00 0.41 O ATOM 0 H GLU A 88 -4.138 4.442 -19.374 1.00 10.23 H new ATOM 0 HA GLU A 88 -4.945 5.015 -22.000 1.00 61.50 H new ATOM 0 HB2 GLU A 88 -5.989 2.926 -20.029 1.00 73.44 H new ATOM 0 HB3 GLU A 88 -6.282 2.907 -21.756 1.00 73.44 H new ATOM 0 HG2 GLU A 88 -3.880 2.613 -22.209 1.00 5.52 H new ATOM 0 HG3 GLU A 88 -3.504 2.775 -20.505 1.00 5.52 H new ATOM 1449 N LEU A 89 -7.415 5.224 -19.755 1.00 30.05 N ATOM 1450 CA LEU A 89 -8.768 5.730 -19.438 1.00 31.04 C ATOM 1451 C LEU A 89 -8.886 7.247 -19.664 1.00 63.25 C ATOM 1452 O LEU A 89 -9.782 7.692 -20.377 1.00 74.42 O ATOM 1453 CB LEU A 89 -9.162 5.371 -17.968 1.00 1.25 C ATOM 1454 CG LEU A 89 -9.260 3.848 -17.634 1.00 53.42 C ATOM 1455 CD1 LEU A 89 -9.617 3.610 -16.148 1.00 73.34 C ATOM 1456 CD2 LEU A 89 -10.247 3.135 -18.579 1.00 22.42 C ATOM 0 H LEU A 89 -7.012 4.675 -18.996 1.00 30.05 H new ATOM 0 HA LEU A 89 -9.461 5.240 -20.122 1.00 31.04 H new ATOM 0 HB2 LEU A 89 -8.431 5.823 -17.297 1.00 1.25 H new ATOM 0 HB3 LEU A 89 -10.125 5.833 -17.748 1.00 1.25 H new ATOM 0 HG LEU A 89 -8.275 3.411 -17.797 1.00 53.42 H new ATOM 0 HD11 LEU A 89 -9.676 2.539 -15.955 1.00 73.34 H new ATOM 0 HD12 LEU A 89 -8.848 4.051 -15.514 1.00 73.34 H new ATOM 0 HD13 LEU A 89 -10.579 4.072 -15.926 1.00 73.34 H new ATOM 0 HD21 LEU A 89 -10.295 2.076 -18.324 1.00 22.42 H new ATOM 0 HD22 LEU A 89 -11.237 3.579 -18.474 1.00 22.42 H new ATOM 0 HD23 LEU A 89 -9.908 3.245 -19.609 1.00 22.42 H new ATOM 1468 N SER A 90 -7.940 8.021 -19.103 1.00 24.12 N ATOM 1469 CA SER A 90 -7.950 9.491 -19.222 1.00 10.21 C ATOM 1470 C SER A 90 -7.681 9.926 -20.674 1.00 4.14 C ATOM 1471 O SER A 90 -8.311 10.864 -21.146 1.00 21.30 O ATOM 1472 CB SER A 90 -6.940 10.138 -18.259 1.00 60.52 C ATOM 1473 OG SER A 90 -7.240 9.792 -16.914 1.00 1.32 O ATOM 0 H SER A 90 -7.158 7.653 -18.562 1.00 24.12 H new ATOM 0 HA SER A 90 -8.944 9.839 -18.942 1.00 10.21 H new ATOM 0 HB2 SER A 90 -5.931 9.811 -18.508 1.00 60.52 H new ATOM 0 HB3 SER A 90 -6.961 11.222 -18.375 1.00 60.52 H new ATOM 0 HG SER A 90 -6.817 8.936 -16.694 1.00 1.32 H new ATOM 1479 N SER A 91 -6.776 9.206 -21.382 1.00 1.42 N ATOM 1480 CA SER A 91 -6.507 9.445 -22.821 1.00 45.10 C ATOM 1481 C SER A 91 -7.791 9.250 -23.663 1.00 12.35 C ATOM 1482 O SER A 91 -7.981 9.931 -24.675 1.00 34.41 O ATOM 1483 CB SER A 91 -5.392 8.502 -23.329 1.00 42.21 C ATOM 1484 OG SER A 91 -5.092 8.717 -24.701 1.00 62.41 O ATOM 0 H SER A 91 -6.219 8.453 -20.978 1.00 1.42 H new ATOM 0 HA SER A 91 -6.174 10.477 -22.933 1.00 45.10 H new ATOM 0 HB2 SER A 91 -4.491 8.653 -22.734 1.00 42.21 H new ATOM 0 HB3 SER A 91 -5.700 7.467 -23.184 1.00 42.21 H new ATOM 0 HG SER A 91 -4.382 8.102 -24.981 1.00 62.41 H new ATOM 1490 N LEU A 92 -8.664 8.315 -23.222 1.00 64.32 N ATOM 1491 CA LEU A 92 -9.955 8.040 -23.884 1.00 42.01 C ATOM 1492 C LEU A 92 -10.964 9.176 -23.593 1.00 14.32 C ATOM 1493 O LEU A 92 -11.576 9.725 -24.512 1.00 63.44 O ATOM 1494 CB LEU A 92 -10.542 6.672 -23.413 1.00 42.25 C ATOM 1495 CG LEU A 92 -9.589 5.440 -23.492 1.00 21.32 C ATOM 1496 CD1 LEU A 92 -10.285 4.143 -23.038 1.00 73.22 C ATOM 1497 CD2 LEU A 92 -8.950 5.289 -24.886 1.00 64.44 C ATOM 0 H LEU A 92 -8.492 7.734 -22.401 1.00 64.32 H new ATOM 0 HA LEU A 92 -9.779 7.989 -24.958 1.00 42.01 H new ATOM 0 HB2 LEU A 92 -10.874 6.781 -22.380 1.00 42.25 H new ATOM 0 HB3 LEU A 92 -11.427 6.457 -24.011 1.00 42.25 H new ATOM 0 HG LEU A 92 -8.776 5.628 -22.791 1.00 21.32 H new ATOM 0 HD11 LEU A 92 -9.585 3.310 -23.109 1.00 73.22 H new ATOM 0 HD12 LEU A 92 -10.617 4.251 -22.005 1.00 73.22 H new ATOM 0 HD13 LEU A 92 -11.146 3.949 -23.678 1.00 73.22 H new ATOM 0 HD21 LEU A 92 -8.295 4.418 -24.893 1.00 64.44 H new ATOM 0 HD22 LEU A 92 -9.733 5.160 -25.633 1.00 64.44 H new ATOM 0 HD23 LEU A 92 -8.370 6.182 -25.119 1.00 64.44 H new ATOM 1509 N ILE A 93 -11.078 9.540 -22.299 1.00 52.02 N ATOM 1510 CA ILE A 93 -12.138 10.436 -21.782 1.00 42.35 C ATOM 1511 C ILE A 93 -11.857 11.925 -22.105 1.00 25.35 C ATOM 1512 O ILE A 93 -12.688 12.589 -22.742 1.00 60.41 O ATOM 1513 CB ILE A 93 -12.305 10.234 -20.224 1.00 51.23 C ATOM 1514 CG1 ILE A 93 -12.696 8.754 -19.908 1.00 34.24 C ATOM 1515 CG2 ILE A 93 -13.338 11.220 -19.613 1.00 65.33 C ATOM 1516 CD1 ILE A 93 -12.601 8.370 -18.439 1.00 70.51 C ATOM 0 H ILE A 93 -10.433 9.219 -21.577 1.00 52.02 H new ATOM 0 HA ILE A 93 -13.067 10.168 -22.285 1.00 42.35 H new ATOM 0 HB ILE A 93 -11.343 10.453 -19.760 1.00 51.23 H new ATOM 0 HG12 ILE A 93 -13.717 8.582 -20.249 1.00 34.24 H new ATOM 0 HG13 ILE A 93 -12.051 8.091 -20.485 1.00 34.24 H new ATOM 0 HG21 ILE A 93 -13.419 11.044 -18.540 1.00 65.33 H new ATOM 0 HG22 ILE A 93 -13.011 12.245 -19.788 1.00 65.33 H new ATOM 0 HG23 ILE A 93 -14.310 11.065 -20.081 1.00 65.33 H new ATOM 0 HD11 ILE A 93 -12.891 7.326 -18.316 1.00 70.51 H new ATOM 0 HD12 ILE A 93 -11.576 8.505 -18.093 1.00 70.51 H new ATOM 0 HD13 ILE A 93 -13.268 9.003 -17.854 1.00 70.51 H new ATOM 1528 N GLY A 94 -10.680 12.439 -21.678 1.00 72.53 N ATOM 1529 CA GLY A 94 -10.352 13.869 -21.842 1.00 53.52 C ATOM 1530 C GLY A 94 -8.851 14.164 -21.775 1.00 23.33 C ATOM 1531 O GLY A 94 -8.443 15.185 -21.212 1.00 44.43 O ATOM 0 H GLY A 94 -9.951 11.890 -21.223 1.00 72.53 H new ATOM 0 HA2 GLY A 94 -10.740 14.215 -22.800 1.00 53.52 H new ATOM 0 HA3 GLY A 94 -10.861 14.441 -21.067 1.00 53.52 H new ATOM 1535 N GLN A 95 -8.062 13.258 -22.389 1.00 42.53 N ATOM 1536 CA GLN A 95 -6.579 13.321 -22.503 1.00 40.30 C ATOM 1537 C GLN A 95 -5.846 13.194 -21.136 1.00 20.15 C ATOM 1538 O GLN A 95 -6.241 13.792 -20.130 1.00 3.21 O ATOM 1539 CB GLN A 95 -6.109 14.588 -23.282 1.00 4.44 C ATOM 1540 CG GLN A 95 -4.582 14.677 -23.524 1.00 13.43 C ATOM 1541 CD GLN A 95 -4.006 13.500 -24.327 1.00 51.42 C ATOM 1542 OE1 GLN A 95 -4.665 12.919 -25.190 1.00 20.23 O ATOM 1543 NE2 GLN A 95 -2.771 13.133 -24.044 1.00 25.53 N ATOM 0 H GLN A 95 -8.449 12.428 -22.838 1.00 42.53 H new ATOM 0 HA GLN A 95 -6.294 12.444 -23.084 1.00 40.30 H new ATOM 0 HB2 GLN A 95 -6.617 14.613 -24.246 1.00 4.44 H new ATOM 0 HB3 GLN A 95 -6.427 15.473 -22.732 1.00 4.44 H new ATOM 0 HG2 GLN A 95 -4.362 15.605 -24.051 1.00 13.43 H new ATOM 0 HG3 GLN A 95 -4.074 14.729 -22.561 1.00 13.43 H new ATOM 0 HE21 GLN A 95 -2.244 13.629 -23.325 1.00 25.53 H new ATOM 0 HE22 GLN A 95 -2.343 12.354 -24.544 1.00 25.53 H new ATOM 1552 N VAL A 96 -4.766 12.390 -21.128 1.00 63.53 N ATOM 1553 CA VAL A 96 -3.876 12.216 -19.961 1.00 70.30 C ATOM 1554 C VAL A 96 -2.652 13.153 -20.085 1.00 4.55 C ATOM 1555 O VAL A 96 -2.242 13.501 -21.196 1.00 13.12 O ATOM 1556 CB VAL A 96 -3.400 10.718 -19.839 1.00 71.12 C ATOM 1557 CG1 VAL A 96 -2.691 10.244 -21.129 1.00 53.42 C ATOM 1558 CG2 VAL A 96 -2.511 10.490 -18.585 1.00 41.41 C ATOM 0 H VAL A 96 -4.483 11.838 -21.937 1.00 63.53 H new ATOM 0 HA VAL A 96 -4.434 12.473 -19.061 1.00 70.30 H new ATOM 0 HB VAL A 96 -4.294 10.108 -19.711 1.00 71.12 H new ATOM 0 HG11 VAL A 96 -2.376 9.207 -21.011 1.00 53.42 H new ATOM 0 HG12 VAL A 96 -3.379 10.320 -21.971 1.00 53.42 H new ATOM 0 HG13 VAL A 96 -1.818 10.870 -21.315 1.00 53.42 H new ATOM 0 HG21 VAL A 96 -2.206 9.445 -18.541 1.00 41.41 H new ATOM 0 HG22 VAL A 96 -1.626 11.124 -18.646 1.00 41.41 H new ATOM 0 HG23 VAL A 96 -3.076 10.741 -17.688 1.00 41.41 H new ATOM 1568 N LEU A 97 -2.088 13.573 -18.940 1.00 21.11 N ATOM 1569 CA LEU A 97 -0.875 14.405 -18.909 1.00 35.51 C ATOM 1570 C LEU A 97 0.380 13.504 -18.949 1.00 22.43 C ATOM 1571 O LEU A 97 1.008 13.279 -17.909 1.00 73.35 O ATOM 1572 CB LEU A 97 -0.863 15.349 -17.660 1.00 53.03 C ATOM 1573 CG LEU A 97 -1.900 16.526 -17.638 1.00 43.42 C ATOM 1574 CD1 LEU A 97 -3.357 16.025 -17.529 1.00 32.23 C ATOM 1575 CD2 LEU A 97 -1.563 17.527 -16.510 1.00 4.44 C ATOM 0 H LEU A 97 -2.457 13.347 -18.017 1.00 21.11 H new ATOM 0 HA LEU A 97 -0.869 15.046 -19.791 1.00 35.51 H new ATOM 0 HB2 LEU A 97 -1.028 14.737 -16.773 1.00 53.03 H new ATOM 0 HB3 LEU A 97 0.135 15.777 -17.570 1.00 53.03 H new ATOM 0 HG LEU A 97 -1.822 17.045 -18.594 1.00 43.42 H new ATOM 0 HD11 LEU A 97 -4.035 16.878 -17.518 1.00 32.23 H new ATOM 0 HD12 LEU A 97 -3.588 15.389 -18.384 1.00 32.23 H new ATOM 0 HD13 LEU A 97 -3.477 15.454 -16.609 1.00 32.23 H new ATOM 0 HD21 LEU A 97 -2.294 18.336 -16.511 1.00 4.44 H new ATOM 0 HD22 LEU A 97 -1.591 17.014 -15.548 1.00 4.44 H new ATOM 0 HD23 LEU A 97 -0.567 17.938 -16.674 1.00 4.44 H new ATOM 1587 N PHE A 98 0.686 12.988 -20.177 1.00 31.44 N ATOM 1588 CA PHE A 98 1.878 12.150 -20.538 1.00 30.11 C ATOM 1589 C PHE A 98 2.219 11.014 -19.536 1.00 25.12 C ATOM 1590 O PHE A 98 2.039 9.824 -19.848 1.00 74.03 O ATOM 1591 CB PHE A 98 3.130 13.021 -20.942 1.00 61.52 C ATOM 1592 CG PHE A 98 3.526 14.166 -19.994 1.00 4.33 C ATOM 1593 CD1 PHE A 98 4.504 13.994 -19.014 1.00 44.41 C ATOM 1594 CD2 PHE A 98 2.909 15.420 -20.093 1.00 70.11 C ATOM 1595 CE1 PHE A 98 4.846 15.027 -18.162 1.00 0.51 C ATOM 1596 CE2 PHE A 98 3.253 16.449 -19.237 1.00 34.34 C ATOM 1597 CZ PHE A 98 4.221 16.253 -18.274 1.00 14.40 C ATOM 0 H PHE A 98 0.081 13.151 -20.982 1.00 31.44 H new ATOM 0 HA PHE A 98 1.567 11.612 -21.433 1.00 30.11 H new ATOM 0 HB2 PHE A 98 3.987 12.355 -21.043 1.00 61.52 H new ATOM 0 HB3 PHE A 98 2.941 13.448 -21.927 1.00 61.52 H new ATOM 0 HD1 PHE A 98 5.001 13.040 -18.920 1.00 44.41 H new ATOM 0 HD2 PHE A 98 2.155 15.585 -20.848 1.00 70.11 H new ATOM 0 HE1 PHE A 98 5.603 14.875 -17.407 1.00 0.51 H new ATOM 0 HE2 PHE A 98 2.763 17.408 -19.322 1.00 34.34 H new ATOM 0 HZ PHE A 98 4.490 17.059 -17.607 1.00 14.40 H new ATOM 1607 N GLN A 99 2.726 11.392 -18.362 1.00 11.32 N ATOM 1608 CA GLN A 99 3.030 10.482 -17.261 1.00 70.32 C ATOM 1609 C GLN A 99 2.993 11.316 -15.968 1.00 0.24 C ATOM 1610 O GLN A 99 3.885 12.138 -15.732 1.00 32.43 O ATOM 1611 CB GLN A 99 4.409 9.779 -17.490 1.00 11.33 C ATOM 1612 CG GLN A 99 4.813 8.701 -16.441 1.00 31.43 C ATOM 1613 CD GLN A 99 5.476 9.258 -15.172 1.00 10.31 C ATOM 1614 OE1 GLN A 99 6.132 10.301 -15.193 1.00 31.14 O ATOM 1615 NE2 GLN A 99 5.341 8.548 -14.067 1.00 41.42 N ATOM 0 H GLN A 99 2.942 12.365 -18.147 1.00 11.32 H new ATOM 0 HA GLN A 99 2.299 9.676 -17.193 1.00 70.32 H new ATOM 0 HB2 GLN A 99 4.396 9.311 -18.474 1.00 11.33 H new ATOM 0 HB3 GLN A 99 5.185 10.544 -17.511 1.00 11.33 H new ATOM 0 HG2 GLN A 99 3.923 8.141 -16.154 1.00 31.43 H new ATOM 0 HG3 GLN A 99 5.496 7.994 -16.911 1.00 31.43 H new ATOM 0 HE21 GLN A 99 4.792 7.688 -14.077 1.00 41.42 H new ATOM 0 HE22 GLN A 99 5.785 8.859 -13.203 1.00 41.42 H new ATOM 1624 N GLY A 100 1.925 11.137 -15.175 1.00 44.10 N ATOM 1625 CA GLY A 100 1.721 11.912 -13.951 1.00 31.45 C ATOM 1626 C GLY A 100 0.506 11.422 -13.159 1.00 24.11 C ATOM 1627 O GLY A 100 -0.584 11.993 -13.289 1.00 21.31 O ATOM 0 H GLY A 100 1.188 10.458 -15.365 1.00 44.10 H new ATOM 0 HA2 GLY A 100 2.612 11.845 -13.327 1.00 31.45 H new ATOM 0 HA3 GLY A 100 1.588 12.964 -14.205 1.00 31.45 H new ATOM 1631 N PRO A 101 0.662 10.328 -12.334 1.00 54.31 N ATOM 1632 CA PRO A 101 -0.423 9.816 -11.456 1.00 65.24 C ATOM 1633 C PRO A 101 -0.779 10.817 -10.334 1.00 20.53 C ATOM 1634 O PRO A 101 -1.954 11.078 -10.070 1.00 60.00 O ATOM 1635 CB PRO A 101 0.181 8.506 -10.880 1.00 51.05 C ATOM 1636 CG PRO A 101 1.667 8.684 -10.961 1.00 11.04 C ATOM 1637 CD PRO A 101 1.900 9.500 -12.213 1.00 31.33 C ATOM 0 HA PRO A 101 -1.360 9.659 -11.990 1.00 65.24 H new ATOM 0 HB2 PRO A 101 -0.140 8.345 -9.851 1.00 51.05 H new ATOM 0 HB3 PRO A 101 -0.143 7.638 -11.455 1.00 51.05 H new ATOM 0 HG2 PRO A 101 2.051 9.197 -10.079 1.00 11.04 H new ATOM 0 HG3 PRO A 101 2.177 7.722 -11.017 1.00 11.04 H new ATOM 0 HD2 PRO A 101 2.791 10.122 -12.125 1.00 31.33 H new ATOM 0 HD3 PRO A 101 2.042 8.862 -13.086 1.00 31.33 H new ATOM 1645 N SER A 102 0.265 11.399 -9.718 1.00 34.42 N ATOM 1646 CA SER A 102 0.133 12.369 -8.615 1.00 43.04 C ATOM 1647 C SER A 102 -0.350 13.745 -9.124 1.00 24.42 C ATOM 1648 O SER A 102 -0.789 14.591 -8.332 1.00 51.31 O ATOM 1649 CB SER A 102 1.493 12.506 -7.896 1.00 11.43 C ATOM 1650 OG SER A 102 1.955 11.244 -7.434 1.00 64.54 O ATOM 0 H SER A 102 1.234 11.208 -9.974 1.00 34.42 H new ATOM 0 HA SER A 102 -0.618 12.001 -7.916 1.00 43.04 H new ATOM 0 HB2 SER A 102 2.226 12.939 -8.577 1.00 11.43 H new ATOM 0 HB3 SER A 102 1.396 13.192 -7.054 1.00 11.43 H new ATOM 0 HG SER A 102 2.818 11.356 -6.984 1.00 64.54 H new ATOM 1656 N ALA A 103 -0.266 13.946 -10.458 1.00 32.05 N ATOM 1657 CA ALA A 103 -0.684 15.190 -11.123 1.00 54.41 C ATOM 1658 C ALA A 103 -2.217 15.358 -11.096 1.00 71.41 C ATOM 1659 O ALA A 103 -2.717 16.482 -11.174 1.00 1.21 O ATOM 1660 CB ALA A 103 -0.154 15.221 -12.570 1.00 14.23 C ATOM 0 H ALA A 103 0.096 13.243 -11.102 1.00 32.05 H new ATOM 0 HA ALA A 103 -0.256 16.029 -10.574 1.00 54.41 H new ATOM 0 HB1 ALA A 103 -0.469 16.146 -13.053 1.00 14.23 H new ATOM 0 HB2 ALA A 103 0.935 15.169 -12.560 1.00 14.23 H new ATOM 0 HB3 ALA A 103 -0.552 14.370 -13.122 1.00 14.23 H new ATOM 1666 N GLY A 104 -2.956 14.231 -10.977 1.00 71.13 N ATOM 1667 CA GLY A 104 -4.427 14.253 -10.944 1.00 5.34 C ATOM 1668 C GLY A 104 -5.032 14.220 -12.347 1.00 61.03 C ATOM 1669 O GLY A 104 -4.657 15.028 -13.205 1.00 21.13 O ATOM 0 H GLY A 104 -2.552 13.297 -10.903 1.00 71.13 H new ATOM 0 HA2 GLY A 104 -4.790 13.398 -10.373 1.00 5.34 H new ATOM 0 HA3 GLY A 104 -4.765 15.150 -10.425 1.00 5.34 H new ATOM 1673 N LEU A 105 -5.966 13.280 -12.595 1.00 42.11 N ATOM 1674 CA LEU A 105 -6.550 13.053 -13.939 1.00 71.22 C ATOM 1675 C LEU A 105 -8.080 13.281 -13.934 1.00 14.55 C ATOM 1676 O LEU A 105 -8.742 13.077 -12.907 1.00 72.43 O ATOM 1677 CB LEU A 105 -6.178 11.623 -14.431 1.00 21.34 C ATOM 1678 CG LEU A 105 -4.642 11.313 -14.532 1.00 24.23 C ATOM 1679 CD1 LEU A 105 -4.381 9.853 -14.957 1.00 21.30 C ATOM 1680 CD2 LEU A 105 -3.927 12.308 -15.477 1.00 45.22 C ATOM 0 H LEU A 105 -6.337 12.659 -11.876 1.00 42.11 H new ATOM 0 HA LEU A 105 -6.131 13.779 -14.636 1.00 71.22 H new ATOM 0 HB2 LEU A 105 -6.632 10.897 -13.756 1.00 21.34 H new ATOM 0 HB3 LEU A 105 -6.626 11.469 -15.413 1.00 21.34 H new ATOM 0 HG LEU A 105 -4.221 11.441 -13.535 1.00 24.23 H new ATOM 0 HD11 LEU A 105 -3.307 9.678 -15.016 1.00 21.30 H new ATOM 0 HD12 LEU A 105 -4.820 9.177 -14.223 1.00 21.30 H new ATOM 0 HD13 LEU A 105 -4.832 9.672 -15.933 1.00 21.30 H new ATOM 0 HD21 LEU A 105 -2.865 12.066 -15.525 1.00 45.22 H new ATOM 0 HD22 LEU A 105 -4.360 12.238 -16.475 1.00 45.22 H new ATOM 0 HD23 LEU A 105 -4.051 13.323 -15.098 1.00 45.22 H new ATOM 1692 N VAL A 106 -8.609 13.688 -15.116 1.00 63.42 N ATOM 1693 CA VAL A 106 -10.007 14.139 -15.321 1.00 53.21 C ATOM 1694 C VAL A 106 -10.304 15.407 -14.464 1.00 71.53 C ATOM 1695 O VAL A 106 -10.699 15.297 -13.297 1.00 32.44 O ATOM 1696 CB VAL A 106 -11.081 12.997 -15.085 1.00 72.24 C ATOM 1697 CG1 VAL A 106 -12.527 13.509 -15.328 1.00 25.34 C ATOM 1698 CG2 VAL A 106 -10.772 11.764 -15.975 1.00 44.41 C ATOM 0 H VAL A 106 -8.059 13.712 -15.975 1.00 63.42 H new ATOM 0 HA VAL A 106 -10.101 14.405 -16.374 1.00 53.21 H new ATOM 0 HB VAL A 106 -11.016 12.693 -14.040 1.00 72.24 H new ATOM 0 HG11 VAL A 106 -13.234 12.697 -15.156 1.00 25.34 H new ATOM 0 HG12 VAL A 106 -12.743 14.329 -14.643 1.00 25.34 H new ATOM 0 HG13 VAL A 106 -12.621 13.860 -16.356 1.00 25.34 H new ATOM 0 HG21 VAL A 106 -11.520 10.991 -15.799 1.00 44.41 H new ATOM 0 HG22 VAL A 106 -10.794 12.058 -17.024 1.00 44.41 H new ATOM 0 HG23 VAL A 106 -9.784 11.375 -15.728 1.00 44.41 H new ATOM 1708 N PRO A 107 -10.081 16.640 -15.036 1.00 35.44 N ATOM 1709 CA PRO A 107 -10.240 17.923 -14.299 1.00 32.13 C ATOM 1710 C PRO A 107 -11.707 18.406 -14.188 1.00 61.33 C ATOM 1711 O PRO A 107 -11.979 19.415 -13.528 1.00 22.12 O ATOM 1712 CB PRO A 107 -9.387 18.894 -15.149 1.00 63.32 C ATOM 1713 CG PRO A 107 -9.541 18.392 -16.552 1.00 23.42 C ATOM 1714 CD PRO A 107 -9.631 16.879 -16.442 1.00 3.20 C ATOM 0 HA PRO A 107 -9.930 17.840 -13.257 1.00 32.13 H new ATOM 0 HB2 PRO A 107 -9.739 19.921 -15.053 1.00 63.32 H new ATOM 0 HB3 PRO A 107 -8.343 18.885 -14.836 1.00 63.32 H new ATOM 0 HG2 PRO A 107 -10.436 18.804 -17.019 1.00 23.42 H new ATOM 0 HG3 PRO A 107 -8.693 18.690 -17.169 1.00 23.42 H new ATOM 0 HD2 PRO A 107 -10.339 16.469 -17.162 1.00 3.20 H new ATOM 0 HD3 PRO A 107 -8.668 16.407 -16.638 1.00 3.20 H new ATOM 1722 N ARG A 108 -12.638 17.686 -14.837 1.00 4.02 N ATOM 1723 CA ARG A 108 -14.070 18.037 -14.856 1.00 21.04 C ATOM 1724 C ARG A 108 -14.790 17.391 -13.664 1.00 44.11 C ATOM 1725 O ARG A 108 -14.711 16.177 -13.498 1.00 0.10 O ATOM 1726 CB ARG A 108 -14.709 17.547 -16.172 1.00 14.15 C ATOM 1727 CG ARG A 108 -16.219 17.842 -16.302 1.00 72.41 C ATOM 1728 CD ARG A 108 -16.796 17.326 -17.625 1.00 50.11 C ATOM 1729 NE ARG A 108 -16.070 17.874 -18.787 1.00 61.31 N ATOM 1730 CZ ARG A 108 -15.966 17.285 -19.990 1.00 3.12 C ATOM 1731 NH1 ARG A 108 -16.555 16.117 -20.233 1.00 53.55 N ATOM 1732 NH2 ARG A 108 -15.265 17.878 -20.948 1.00 33.43 N ATOM 0 H ARG A 108 -12.419 16.841 -15.365 1.00 4.02 H new ATOM 0 HA ARG A 108 -14.168 19.120 -14.785 1.00 21.04 H new ATOM 0 HB2 ARG A 108 -14.188 18.012 -17.009 1.00 14.15 H new ATOM 0 HB3 ARG A 108 -14.554 16.472 -16.258 1.00 14.15 H new ATOM 0 HG2 ARG A 108 -16.751 17.380 -15.470 1.00 72.41 H new ATOM 0 HG3 ARG A 108 -16.385 18.917 -16.229 1.00 72.41 H new ATOM 0 HD2 ARG A 108 -16.745 16.237 -17.644 1.00 50.11 H new ATOM 0 HD3 ARG A 108 -17.850 17.597 -17.693 1.00 50.11 H new ATOM 0 HE ARG A 108 -15.608 18.776 -18.667 1.00 61.31 H new ATOM 0 HH11 ARG A 108 -17.095 15.656 -19.501 1.00 53.55 H new ATOM 0 HH12 ARG A 108 -16.467 15.683 -21.152 1.00 53.55 H new ATOM 0 HH21 ARG A 108 -14.811 18.773 -20.768 1.00 33.43 H new ATOM 0 HH22 ARG A 108 -15.180 17.438 -21.865 1.00 33.43 H new ATOM 1746 N GLY A 109 -15.507 18.218 -12.881 1.00 14.32 N ATOM 1747 CA GLY A 109 -16.301 17.751 -11.742 1.00 11.04 C ATOM 1748 C GLY A 109 -17.505 16.903 -12.166 1.00 11.13 C ATOM 1749 O GLY A 109 -18.486 17.436 -12.692 1.00 11.11 O ATOM 0 H GLY A 109 -15.549 19.227 -13.024 1.00 14.32 H new ATOM 0 HA2 GLY A 109 -15.666 17.165 -11.078 1.00 11.04 H new ATOM 0 HA3 GLY A 109 -16.651 18.611 -11.172 1.00 11.04 H new ATOM 1753 N SER A 110 -17.404 15.581 -11.952 1.00 24.33 N ATOM 1754 CA SER A 110 -18.437 14.598 -12.318 1.00 72.34 C ATOM 1755 C SER A 110 -18.508 13.496 -11.232 1.00 33.43 C ATOM 1756 O SER A 110 -17.527 12.770 -11.007 1.00 12.53 O ATOM 1757 CB SER A 110 -18.108 13.987 -13.705 1.00 61.45 C ATOM 1758 OG SER A 110 -18.043 14.983 -14.721 1.00 11.44 O ATOM 0 H SER A 110 -16.587 15.158 -11.512 1.00 24.33 H new ATOM 0 HA SER A 110 -19.409 15.088 -12.380 1.00 72.34 H new ATOM 0 HB2 SER A 110 -17.156 13.459 -13.653 1.00 61.45 H new ATOM 0 HB3 SER A 110 -18.867 13.250 -13.967 1.00 61.45 H new ATOM 0 HG SER A 110 -17.832 14.561 -15.580 1.00 11.44 H new ATOM 1764 N GLY A 111 -19.671 13.382 -10.563 1.00 63.22 N ATOM 1765 CA GLY A 111 -19.868 12.430 -9.459 1.00 31.42 C ATOM 1766 C GLY A 111 -19.991 10.977 -9.927 1.00 71.23 C ATOM 1767 O GLY A 111 -21.099 10.426 -9.989 1.00 75.13 O ATOM 0 H GLY A 111 -20.495 13.945 -10.773 1.00 63.22 H new ATOM 0 HA2 GLY A 111 -19.032 12.511 -8.765 1.00 31.42 H new ATOM 0 HA3 GLY A 111 -20.768 12.704 -8.908 1.00 31.42 H new ATOM 1771 N GLY A 112 -18.839 10.372 -10.267 1.00 54.43 N ATOM 1772 CA GLY A 112 -18.775 8.978 -10.713 1.00 42.31 C ATOM 1773 C GLY A 112 -17.398 8.623 -11.267 1.00 33.20 C ATOM 1774 O GLY A 112 -16.578 8.019 -10.562 1.00 60.02 O ATOM 0 H GLY A 112 -17.932 10.838 -10.239 1.00 54.43 H new ATOM 0 HA2 GLY A 112 -19.012 8.318 -9.879 1.00 42.31 H new ATOM 0 HA3 GLY A 112 -19.531 8.807 -11.480 1.00 42.31 H new ATOM 1778 N ILE A 113 -17.144 9.017 -12.538 1.00 62.02 N ATOM 1779 CA ILE A 113 -15.848 8.806 -13.218 1.00 11.11 C ATOM 1780 C ILE A 113 -14.749 9.624 -12.532 1.00 75.12 C ATOM 1781 O ILE A 113 -13.722 9.075 -12.140 1.00 40.10 O ATOM 1782 CB ILE A 113 -15.910 9.196 -14.743 1.00 52.34 C ATOM 1783 CG1 ILE A 113 -16.960 8.324 -15.501 1.00 73.21 C ATOM 1784 CG2 ILE A 113 -14.513 9.089 -15.407 1.00 52.15 C ATOM 1785 CD1 ILE A 113 -17.098 8.645 -16.981 1.00 73.40 C ATOM 0 H ILE A 113 -17.835 9.491 -13.120 1.00 62.02 H new ATOM 0 HA ILE A 113 -15.620 7.742 -13.148 1.00 11.11 H new ATOM 0 HB ILE A 113 -16.228 10.236 -14.808 1.00 52.34 H new ATOM 0 HG12 ILE A 113 -16.686 7.274 -15.394 1.00 73.21 H new ATOM 0 HG13 ILE A 113 -17.931 8.451 -15.023 1.00 73.21 H new ATOM 0 HG21 ILE A 113 -14.588 9.364 -16.459 1.00 52.15 H new ATOM 0 HG22 ILE A 113 -13.819 9.762 -14.904 1.00 52.15 H new ATOM 0 HG23 ILE A 113 -14.149 8.065 -15.325 1.00 52.15 H new ATOM 0 HD11 ILE A 113 -17.848 7.992 -17.427 1.00 73.40 H new ATOM 0 HD12 ILE A 113 -17.404 9.684 -17.101 1.00 73.40 H new ATOM 0 HD13 ILE A 113 -16.140 8.490 -17.478 1.00 73.40 H new ATOM 1797 N GLU A 114 -15.000 10.940 -12.383 1.00 64.04 N ATOM 1798 CA GLU A 114 -14.071 11.861 -11.707 1.00 4.05 C ATOM 1799 C GLU A 114 -13.922 11.463 -10.229 1.00 5.24 C ATOM 1800 O GLU A 114 -12.848 11.603 -9.670 1.00 42.33 O ATOM 1801 CB GLU A 114 -14.545 13.331 -11.899 1.00 52.32 C ATOM 1802 CG GLU A 114 -13.829 14.423 -11.048 1.00 41.21 C ATOM 1803 CD GLU A 114 -14.470 14.663 -9.659 1.00 21.32 C ATOM 1804 OE1 GLU A 114 -15.618 15.139 -9.601 1.00 55.41 O ATOM 1805 OE2 GLU A 114 -13.827 14.376 -8.630 1.00 13.30 O ATOM 0 H GLU A 114 -15.848 11.390 -12.727 1.00 64.04 H new ATOM 0 HA GLU A 114 -13.080 11.790 -12.155 1.00 4.05 H new ATOM 0 HB2 GLU A 114 -14.427 13.590 -12.951 1.00 52.32 H new ATOM 0 HB3 GLU A 114 -15.611 13.375 -11.678 1.00 52.32 H new ATOM 0 HG2 GLU A 114 -12.787 14.136 -10.910 1.00 41.21 H new ATOM 0 HG3 GLU A 114 -13.831 15.361 -11.604 1.00 41.21 H new ATOM 1812 N GLY A 115 -15.009 10.939 -9.623 1.00 21.23 N ATOM 1813 CA GLY A 115 -14.946 10.378 -8.265 1.00 73.41 C ATOM 1814 C GLY A 115 -13.906 9.258 -8.159 1.00 15.41 C ATOM 1815 O GLY A 115 -13.043 9.271 -7.272 1.00 14.41 O ATOM 0 H GLY A 115 -15.933 10.895 -10.053 1.00 21.23 H new ATOM 0 HA2 GLY A 115 -14.702 11.169 -7.556 1.00 73.41 H new ATOM 0 HA3 GLY A 115 -15.926 9.991 -7.986 1.00 73.41 H new ATOM 1819 N MET A1001 -13.972 8.339 -9.136 1.00 4.14 N ATOM 1820 CA MET A1001 -13.070 7.181 -9.251 1.00 21.11 C ATOM 1821 C MET A1001 -11.612 7.620 -9.509 1.00 72.23 C ATOM 1822 O MET A1001 -10.705 7.157 -8.826 1.00 50.04 O ATOM 1823 CB MET A1001 -13.557 6.251 -10.398 1.00 25.11 C ATOM 1824 CG MET A1001 -12.642 5.050 -10.704 1.00 21.11 C ATOM 1825 SD MET A1001 -13.144 4.146 -12.188 1.00 23.42 S ATOM 1826 CE MET A1001 -13.004 5.410 -13.462 1.00 15.53 C ATOM 0 H MET A1001 -14.666 8.381 -9.882 1.00 4.14 H new ATOM 0 HA MET A1001 -13.091 6.640 -8.305 1.00 21.11 H new ATOM 0 HB2 MET A1001 -14.548 5.876 -10.144 1.00 25.11 H new ATOM 0 HB3 MET A1001 -13.664 6.846 -11.305 1.00 25.11 H new ATOM 0 HG2 MET A1001 -11.618 5.402 -10.828 1.00 21.11 H new ATOM 0 HG3 MET A1001 -12.645 4.370 -9.852 1.00 21.11 H new ATOM 0 HE1 MET A1001 -12.932 4.934 -14.440 1.00 15.53 H new ATOM 0 HE2 MET A1001 -13.884 6.053 -13.435 1.00 15.53 H new ATOM 0 HE3 MET A1001 -12.111 6.010 -13.283 1.00 15.53 H new ATOM 1836 N THR A1002 -11.414 8.525 -10.487 1.00 50.41 N ATOM 1837 CA THR A1002 -10.075 8.941 -10.928 1.00 13.30 C ATOM 1838 C THR A1002 -9.383 9.791 -9.856 1.00 15.32 C ATOM 1839 O THR A1002 -8.209 9.592 -9.599 1.00 4.22 O ATOM 1840 CB THR A1002 -10.117 9.719 -12.282 1.00 53.40 C ATOM 1841 OG1 THR A1002 -11.007 10.840 -12.181 1.00 52.12 O ATOM 1842 CG2 THR A1002 -10.553 8.812 -13.449 1.00 45.32 C ATOM 0 H THR A1002 -12.174 8.984 -10.989 1.00 50.41 H new ATOM 0 HA THR A1002 -9.499 8.029 -11.085 1.00 13.30 H new ATOM 0 HB THR A1002 -9.107 10.071 -12.489 1.00 53.40 H new ATOM 0 HG1 THR A1002 -10.488 11.671 -12.190 1.00 52.12 H new ATOM 0 HG21 THR A1002 -10.570 9.390 -14.373 1.00 45.32 H new ATOM 0 HG22 THR A1002 -9.849 7.986 -13.551 1.00 45.32 H new ATOM 0 HG23 THR A1002 -11.549 8.417 -13.250 1.00 45.32 H new ATOM 1850 N THR A1003 -10.133 10.715 -9.226 1.00 14.33 N ATOM 1851 CA THR A1003 -9.622 11.546 -8.124 1.00 62.21 C ATOM 1852 C THR A1003 -9.217 10.668 -6.931 1.00 42.13 C ATOM 1853 O THR A1003 -8.129 10.853 -6.389 1.00 32.44 O ATOM 1854 CB THR A1003 -10.651 12.628 -7.679 1.00 51.12 C ATOM 1855 OG1 THR A1003 -10.938 13.486 -8.786 1.00 74.31 O ATOM 1856 CG2 THR A1003 -10.142 13.486 -6.508 1.00 63.01 C ATOM 0 H THR A1003 -11.106 10.904 -9.467 1.00 14.33 H new ATOM 0 HA THR A1003 -8.741 12.069 -8.496 1.00 62.21 H new ATOM 0 HB THR A1003 -11.545 12.104 -7.341 1.00 51.12 H new ATOM 0 HG1 THR A1003 -11.631 13.078 -9.345 1.00 74.31 H new ATOM 0 HG21 THR A1003 -10.900 14.223 -6.240 1.00 63.01 H new ATOM 0 HG22 THR A1003 -9.939 12.846 -5.649 1.00 63.01 H new ATOM 0 HG23 THR A1003 -9.226 13.998 -6.803 1.00 63.01 H new ATOM 1864 N ARG A1004 -10.087 9.688 -6.564 1.00 23.04 N ATOM 1865 CA ARG A1004 -9.766 8.698 -5.507 1.00 42.45 C ATOM 1866 C ARG A1004 -8.452 7.963 -5.828 1.00 2.55 C ATOM 1867 O ARG A1004 -7.538 7.953 -5.015 1.00 4.32 O ATOM 1868 CB ARG A1004 -10.913 7.657 -5.303 1.00 10.03 C ATOM 1869 CG ARG A1004 -12.068 8.121 -4.388 1.00 3.30 C ATOM 1870 CD ARG A1004 -13.023 6.972 -3.998 1.00 4.31 C ATOM 1871 NE ARG A1004 -13.958 7.359 -2.928 1.00 52.30 N ATOM 1872 CZ ARG A1004 -13.738 7.174 -1.613 1.00 11.12 C ATOM 1873 NH1 ARG A1004 -12.601 6.627 -1.180 1.00 45.25 N ATOM 1874 NH2 ARG A1004 -14.655 7.553 -0.742 1.00 12.12 N ATOM 0 H ARG A1004 -11.009 9.565 -6.983 1.00 23.04 H new ATOM 0 HA ARG A1004 -9.652 9.257 -4.579 1.00 42.45 H new ATOM 0 HB2 ARG A1004 -11.325 7.399 -6.278 1.00 10.03 H new ATOM 0 HB3 ARG A1004 -10.485 6.745 -4.886 1.00 10.03 H new ATOM 0 HG2 ARG A1004 -11.652 8.565 -3.483 1.00 3.30 H new ATOM 0 HG3 ARG A1004 -12.635 8.902 -4.894 1.00 3.30 H new ATOM 0 HD2 ARG A1004 -13.589 6.659 -4.876 1.00 4.31 H new ATOM 0 HD3 ARG A1004 -12.438 6.112 -3.672 1.00 4.31 H new ATOM 0 HE ARG A1004 -14.836 7.799 -3.203 1.00 52.30 H new ATOM 0 HH11 ARG A1004 -11.885 6.343 -1.848 1.00 45.25 H new ATOM 0 HH12 ARG A1004 -12.448 6.493 -0.181 1.00 45.25 H new ATOM 0 HH21 ARG A1004 -15.521 7.982 -1.068 1.00 12.12 H new ATOM 0 HH22 ARG A1004 -14.497 7.417 0.256 1.00 12.12 H new ATOM 1888 N LEU A1005 -8.369 7.417 -7.055 1.00 60.22 N ATOM 1889 CA LEU A1005 -7.240 6.581 -7.489 1.00 4.41 C ATOM 1890 C LEU A1005 -5.932 7.393 -7.635 1.00 70.12 C ATOM 1891 O LEU A1005 -4.886 6.877 -7.312 1.00 1.15 O ATOM 1892 CB LEU A1005 -7.578 5.810 -8.801 1.00 72.34 C ATOM 1893 CG LEU A1005 -8.565 4.601 -8.670 1.00 4.25 C ATOM 1894 CD1 LEU A1005 -8.844 3.954 -10.047 1.00 24.23 C ATOM 1895 CD2 LEU A1005 -8.039 3.555 -7.656 1.00 25.11 C ATOM 0 H LEU A1005 -9.084 7.544 -7.772 1.00 60.22 H new ATOM 0 HA LEU A1005 -7.070 5.846 -6.702 1.00 4.41 H new ATOM 0 HB2 LEU A1005 -8.000 6.519 -9.513 1.00 72.34 H new ATOM 0 HB3 LEU A1005 -6.646 5.444 -9.231 1.00 72.34 H new ATOM 0 HG LEU A1005 -9.510 4.986 -8.288 1.00 4.25 H new ATOM 0 HD11 LEU A1005 -9.532 3.118 -9.923 1.00 24.23 H new ATOM 0 HD12 LEU A1005 -9.288 4.694 -10.713 1.00 24.23 H new ATOM 0 HD13 LEU A1005 -7.909 3.594 -10.476 1.00 24.23 H new ATOM 0 HD21 LEU A1005 -8.746 2.728 -7.587 1.00 25.11 H new ATOM 0 HD22 LEU A1005 -7.072 3.179 -7.990 1.00 25.11 H new ATOM 0 HD23 LEU A1005 -7.929 4.021 -6.677 1.00 25.11 H new ATOM 1907 N THR A1006 -5.999 8.662 -8.082 1.00 54.30 N ATOM 1908 CA THR A1006 -4.789 9.511 -8.263 1.00 22.53 C ATOM 1909 C THR A1006 -4.250 9.996 -6.899 1.00 24.42 C ATOM 1910 O THR A1006 -3.029 10.051 -6.686 1.00 41.42 O ATOM 1911 CB THR A1006 -5.054 10.729 -9.206 1.00 34.15 C ATOM 1912 OG1 THR A1006 -6.167 11.503 -8.729 1.00 72.03 O ATOM 1913 CG2 THR A1006 -5.319 10.278 -10.658 1.00 3.12 C ATOM 0 H THR A1006 -6.873 9.128 -8.326 1.00 54.30 H new ATOM 0 HA THR A1006 -4.034 8.887 -8.741 1.00 22.53 H new ATOM 0 HB THR A1006 -4.155 11.346 -9.200 1.00 34.15 H new ATOM 0 HG1 THR A1006 -7.001 11.022 -8.910 1.00 72.03 H new ATOM 0 HG21 THR A1006 -5.499 11.152 -11.283 1.00 3.12 H new ATOM 0 HG22 THR A1006 -4.452 9.735 -11.034 1.00 3.12 H new ATOM 0 HG23 THR A1006 -6.193 9.628 -10.683 1.00 3.12 H new ATOM 1921 N ARG A1007 -5.182 10.328 -5.986 1.00 71.44 N ATOM 1922 CA ARG A1007 -4.868 10.613 -4.565 1.00 42.01 C ATOM 1923 C ARG A1007 -4.256 9.365 -3.896 1.00 12.13 C ATOM 1924 O ARG A1007 -3.340 9.455 -3.069 1.00 45.41 O ATOM 1925 CB ARG A1007 -6.150 11.040 -3.799 1.00 51.04 C ATOM 1926 CG ARG A1007 -6.668 12.459 -4.115 1.00 25.12 C ATOM 1927 CD ARG A1007 -5.757 13.557 -3.551 1.00 24.02 C ATOM 1928 NE ARG A1007 -5.566 13.393 -2.095 1.00 63.20 N ATOM 1929 CZ ARG A1007 -5.720 14.348 -1.161 1.00 2.31 C ATOM 1930 NH1 ARG A1007 -6.060 15.594 -1.482 1.00 54.22 N ATOM 1931 NH2 ARG A1007 -5.521 14.035 0.105 1.00 74.11 N ATOM 0 H ARG A1007 -6.174 10.407 -6.208 1.00 71.44 H new ATOM 0 HA ARG A1007 -4.148 11.430 -4.530 1.00 42.01 H new ATOM 0 HB2 ARG A1007 -6.941 10.325 -4.022 1.00 51.04 H new ATOM 0 HB3 ARG A1007 -5.953 10.973 -2.729 1.00 51.04 H new ATOM 0 HG2 ARG A1007 -6.751 12.580 -5.195 1.00 25.12 H new ATOM 0 HG3 ARG A1007 -7.670 12.576 -3.703 1.00 25.12 H new ATOM 0 HD2 ARG A1007 -4.790 13.526 -4.054 1.00 24.02 H new ATOM 0 HD3 ARG A1007 -6.191 14.535 -3.756 1.00 24.02 H new ATOM 0 HE ARG A1007 -5.291 12.467 -1.767 1.00 63.20 H new ATOM 0 HH11 ARG A1007 -6.211 15.846 -2.459 1.00 54.22 H new ATOM 0 HH12 ARG A1007 -6.170 16.297 -0.751 1.00 54.22 H new ATOM 0 HH21 ARG A1007 -5.256 13.084 0.359 1.00 74.11 H new ATOM 0 HH22 ARG A1007 -5.632 14.744 0.829 1.00 74.11 H new ATOM 1945 N TRP A1008 -4.808 8.209 -4.263 1.00 73.43 N ATOM 1946 CA TRP A1008 -4.356 6.893 -3.805 1.00 10.42 C ATOM 1947 C TRP A1008 -2.936 6.609 -4.337 1.00 0.43 C ATOM 1948 O TRP A1008 -2.094 6.173 -3.571 1.00 61.02 O ATOM 1949 CB TRP A1008 -5.428 5.827 -4.218 1.00 51.43 C ATOM 1950 CG TRP A1008 -4.949 4.434 -4.549 1.00 33.33 C ATOM 1951 CD1 TRP A1008 -4.571 3.979 -5.775 1.00 53.31 C ATOM 1952 CD2 TRP A1008 -4.869 3.306 -3.674 1.00 12.34 C ATOM 1953 NE1 TRP A1008 -4.222 2.665 -5.706 1.00 21.23 N ATOM 1954 CE2 TRP A1008 -4.406 2.221 -4.440 1.00 14.42 C ATOM 1955 CE3 TRP A1008 -5.132 3.110 -2.321 1.00 4.35 C ATOM 1956 CZ2 TRP A1008 -4.201 0.963 -3.905 1.00 25.01 C ATOM 1957 CZ3 TRP A1008 -4.935 1.859 -1.790 1.00 63.30 C ATOM 1958 CH2 TRP A1008 -4.472 0.799 -2.582 1.00 1.02 C ATOM 0 H TRP A1008 -5.601 8.159 -4.902 1.00 73.43 H new ATOM 0 HA TRP A1008 -4.271 6.853 -2.719 1.00 10.42 H new ATOM 0 HB2 TRP A1008 -6.151 5.748 -3.406 1.00 51.43 H new ATOM 0 HB3 TRP A1008 -5.964 6.211 -5.086 1.00 51.43 H new ATOM 0 HD1 TRP A1008 -4.551 4.576 -6.675 1.00 53.31 H new ATOM 0 HE1 TRP A1008 -3.877 2.104 -6.485 1.00 21.23 H new ATOM 0 HE3 TRP A1008 -5.483 3.923 -1.703 1.00 4.35 H new ATOM 0 HZ2 TRP A1008 -3.841 0.145 -4.512 1.00 25.01 H new ATOM 0 HZ3 TRP A1008 -5.140 1.689 -0.743 1.00 63.30 H new ATOM 0 HH2 TRP A1008 -4.327 -0.171 -2.131 1.00 1.02 H new ATOM 1969 N LEU A1009 -2.664 6.945 -5.625 1.00 34.33 N ATOM 1970 CA LEU A1009 -1.350 6.685 -6.268 1.00 51.22 C ATOM 1971 C LEU A1009 -0.251 7.602 -5.695 1.00 63.44 C ATOM 1972 O LEU A1009 0.908 7.187 -5.592 1.00 63.53 O ATOM 1973 CB LEU A1009 -1.423 6.844 -7.817 1.00 11.22 C ATOM 1974 CG LEU A1009 -2.329 5.829 -8.583 1.00 63.24 C ATOM 1975 CD1 LEU A1009 -2.237 6.013 -10.107 1.00 74.33 C ATOM 1976 CD2 LEU A1009 -2.024 4.382 -8.182 1.00 43.03 C ATOM 0 H LEU A1009 -3.340 7.398 -6.240 1.00 34.33 H new ATOM 0 HA LEU A1009 -1.091 5.650 -6.043 1.00 51.22 H new ATOM 0 HB2 LEU A1009 -1.776 7.851 -8.040 1.00 11.22 H new ATOM 0 HB3 LEU A1009 -0.411 6.766 -8.215 1.00 11.22 H new ATOM 0 HG LEU A1009 -3.357 6.043 -8.291 1.00 63.24 H new ATOM 0 HD11 LEU A1009 -2.883 5.287 -10.601 1.00 74.33 H new ATOM 0 HD12 LEU A1009 -2.556 7.021 -10.372 1.00 74.33 H new ATOM 0 HD13 LEU A1009 -1.207 5.862 -10.430 1.00 74.33 H new ATOM 0 HD21 LEU A1009 -2.675 3.706 -8.736 1.00 43.03 H new ATOM 0 HD22 LEU A1009 -0.983 4.153 -8.411 1.00 43.03 H new ATOM 0 HD23 LEU A1009 -2.197 4.257 -7.113 1.00 43.03 H new ATOM 1988 N THR A1010 -0.622 8.845 -5.322 1.00 62.03 N ATOM 1989 CA THR A1010 0.322 9.787 -4.692 1.00 31.41 C ATOM 1990 C THR A1010 0.578 9.372 -3.228 1.00 71.34 C ATOM 1991 O THR A1010 1.669 9.593 -2.698 1.00 13.31 O ATOM 1992 CB THR A1010 -0.154 11.286 -4.795 1.00 74.24 C ATOM 1993 OG1 THR A1010 0.940 12.185 -4.543 1.00 60.54 O ATOM 1994 CG2 THR A1010 -1.291 11.644 -3.833 1.00 70.41 C ATOM 0 H THR A1010 -1.564 9.216 -5.446 1.00 62.03 H new ATOM 0 HA THR A1010 1.261 9.734 -5.244 1.00 31.41 H new ATOM 0 HB THR A1010 -0.529 11.394 -5.813 1.00 74.24 H new ATOM 0 HG1 THR A1010 0.626 13.111 -4.613 1.00 60.54 H new ATOM 0 HG21 THR A1010 -1.562 12.692 -3.964 1.00 70.41 H new ATOM 0 HG22 THR A1010 -2.157 11.016 -4.043 1.00 70.41 H new ATOM 0 HG23 THR A1010 -0.964 11.480 -2.806 1.00 70.41 H new ATOM 2002 N ALA A1011 -0.440 8.747 -2.596 1.00 4.43 N ATOM 2003 CA ALA A1011 -0.322 8.170 -1.246 1.00 41.01 C ATOM 2004 C ALA A1011 0.523 6.877 -1.262 1.00 21.23 C ATOM 2005 O ALA A1011 1.197 6.564 -0.277 1.00 54.44 O ATOM 2006 CB ALA A1011 -1.716 7.899 -0.671 1.00 1.40 C ATOM 0 H ALA A1011 -1.365 8.630 -3.011 1.00 4.43 H new ATOM 0 HA ALA A1011 0.190 8.890 -0.608 1.00 41.01 H new ATOM 0 HB1 ALA A1011 -1.621 7.472 0.328 1.00 1.40 H new ATOM 0 HB2 ALA A1011 -2.274 8.833 -0.615 1.00 1.40 H new ATOM 0 HB3 ALA A1011 -2.246 7.198 -1.316 1.00 1.40 H new ATOM 2012 N LEU A1012 0.474 6.135 -2.393 1.00 20.40 N ATOM 2013 CA LEU A1012 1.298 4.927 -2.601 1.00 60.51 C ATOM 2014 C LEU A1012 2.770 5.331 -2.761 1.00 3.13 C ATOM 2015 O LEU A1012 3.664 4.746 -2.157 1.00 34.23 O ATOM 2016 CB LEU A1012 0.847 4.117 -3.857 1.00 64.40 C ATOM 2017 CG LEU A1012 -0.600 3.527 -3.868 1.00 41.55 C ATOM 2018 CD1 LEU A1012 -0.772 2.485 -4.993 1.00 45.13 C ATOM 2019 CD2 LEU A1012 -1.006 2.958 -2.495 1.00 40.11 C ATOM 0 H LEU A1012 -0.135 6.357 -3.181 1.00 20.40 H new ATOM 0 HA LEU A1012 1.170 4.288 -1.728 1.00 60.51 H new ATOM 0 HB2 LEU A1012 0.950 4.765 -4.727 1.00 64.40 H new ATOM 0 HB3 LEU A1012 1.546 3.291 -3.990 1.00 64.40 H new ATOM 0 HG LEU A1012 -1.281 4.352 -4.077 1.00 41.55 H new ATOM 0 HD11 LEU A1012 -1.789 2.093 -4.974 1.00 45.13 H new ATOM 0 HD12 LEU A1012 -0.583 2.956 -5.957 1.00 45.13 H new ATOM 0 HD13 LEU A1012 -0.066 1.668 -4.843 1.00 45.13 H new ATOM 0 HD21 LEU A1012 -2.019 2.559 -2.551 1.00 40.11 H new ATOM 0 HD22 LEU A1012 -0.318 2.161 -2.213 1.00 40.11 H new ATOM 0 HD23 LEU A1012 -0.969 3.750 -1.747 1.00 40.11 H new ATOM 2031 N ASP A1013 2.986 6.361 -3.590 1.00 64.03 N ATOM 2032 CA ASP A1013 4.317 6.934 -3.849 1.00 4.44 C ATOM 2033 C ASP A1013 4.904 7.530 -2.553 1.00 43.43 C ATOM 2034 O ASP A1013 6.095 7.391 -2.290 1.00 73.40 O ATOM 2035 CB ASP A1013 4.223 8.008 -4.964 1.00 21.42 C ATOM 2036 CG ASP A1013 5.594 8.581 -5.374 1.00 43.41 C ATOM 2037 OD1 ASP A1013 5.985 9.658 -4.873 1.00 53.24 O ATOM 2038 OD2 ASP A1013 6.284 7.955 -6.206 1.00 1.53 O ATOM 0 H ASP A1013 2.237 6.825 -4.105 1.00 64.03 H new ATOM 0 HA ASP A1013 4.986 6.144 -4.190 1.00 4.44 H new ATOM 0 HB2 ASP A1013 3.742 7.572 -5.840 1.00 21.42 H new ATOM 0 HB3 ASP A1013 3.584 8.822 -4.622 1.00 21.42 H new ATOM 2043 N ASN A1014 4.021 8.156 -1.743 1.00 13.44 N ATOM 2044 CA ASN A1014 4.373 8.727 -0.425 1.00 1.32 C ATOM 2045 C ASN A1014 4.809 7.629 0.552 1.00 4.13 C ATOM 2046 O ASN A1014 5.803 7.798 1.258 1.00 34.55 O ATOM 2047 CB ASN A1014 3.177 9.532 0.160 1.00 42.11 C ATOM 2048 CG ASN A1014 3.367 9.937 1.628 1.00 61.12 C ATOM 2049 OD1 ASN A1014 3.963 10.966 1.937 1.00 34.42 O ATOM 2050 ND2 ASN A1014 2.862 9.122 2.543 1.00 5.40 N ATOM 0 H ASN A1014 3.038 8.280 -1.988 1.00 13.44 H new ATOM 0 HA ASN A1014 5.213 9.407 -0.567 1.00 1.32 H new ATOM 0 HB2 ASN A1014 3.027 10.430 -0.439 1.00 42.11 H new ATOM 0 HB3 ASN A1014 2.270 8.934 0.071 1.00 42.11 H new ATOM 0 HD21 ASN A1014 2.963 9.342 3.534 1.00 5.40 H new ATOM 0 HD22 ASN A1014 2.372 8.275 2.256 1.00 5.40 H new ATOM 2057 N PHE A1015 4.051 6.511 0.580 1.00 21.52 N ATOM 2058 CA PHE A1015 4.354 5.371 1.455 1.00 62.44 C ATOM 2059 C PHE A1015 5.716 4.787 1.091 1.00 4.42 C ATOM 2060 O PHE A1015 6.597 4.763 1.928 1.00 53.24 O ATOM 2061 CB PHE A1015 3.255 4.283 1.368 1.00 21.13 C ATOM 2062 CG PHE A1015 3.644 2.928 1.985 1.00 14.33 C ATOM 2063 CD1 PHE A1015 3.851 1.823 1.178 1.00 63.43 C ATOM 2064 CD2 PHE A1015 3.794 2.759 3.357 1.00 52.43 C ATOM 2065 CE1 PHE A1015 4.185 0.600 1.694 1.00 11.52 C ATOM 2066 CE2 PHE A1015 4.132 1.528 3.887 1.00 63.50 C ATOM 2067 CZ PHE A1015 4.325 0.446 3.050 1.00 70.21 C ATOM 0 H PHE A1015 3.222 6.379 0.001 1.00 21.52 H new ATOM 0 HA PHE A1015 4.381 5.728 2.484 1.00 62.44 H new ATOM 0 HB2 PHE A1015 2.358 4.650 1.867 1.00 21.13 H new ATOM 0 HB3 PHE A1015 2.997 4.129 0.320 1.00 21.13 H new ATOM 0 HD1 PHE A1015 3.746 1.929 0.108 1.00 63.43 H new ATOM 0 HD2 PHE A1015 3.644 3.601 4.017 1.00 52.43 H new ATOM 0 HE1 PHE A1015 4.338 -0.242 1.035 1.00 11.52 H new ATOM 0 HE2 PHE A1015 4.245 1.412 4.955 1.00 63.50 H new ATOM 0 HZ PHE A1015 4.585 -0.518 3.462 1.00 70.21 H new ATOM 2077 N GLU A1016 5.866 4.346 -0.171 1.00 60.11 N ATOM 2078 CA GLU A1016 7.095 3.711 -0.669 1.00 2.15 C ATOM 2079 C GLU A1016 8.335 4.604 -0.434 1.00 11.52 C ATOM 2080 O GLU A1016 9.364 4.124 0.055 1.00 53.42 O ATOM 2081 CB GLU A1016 6.937 3.343 -2.167 1.00 11.11 C ATOM 2082 CG GLU A1016 8.128 2.557 -2.752 1.00 14.43 C ATOM 2083 CD GLU A1016 7.849 1.996 -4.150 1.00 3.15 C ATOM 2084 OE1 GLU A1016 8.160 2.674 -5.151 1.00 73.24 O ATOM 2085 OE2 GLU A1016 7.294 0.878 -4.257 1.00 72.33 O ATOM 0 H GLU A1016 5.133 4.422 -0.876 1.00 60.11 H new ATOM 0 HA GLU A1016 7.256 2.793 -0.104 1.00 2.15 H new ATOM 0 HB2 GLU A1016 6.030 2.752 -2.291 1.00 11.11 H new ATOM 0 HB3 GLU A1016 6.802 4.259 -2.743 1.00 11.11 H new ATOM 0 HG2 GLU A1016 9.000 3.210 -2.796 1.00 14.43 H new ATOM 0 HG3 GLU A1016 8.379 1.736 -2.081 1.00 14.43 H new ATOM 2092 N ALA A1017 8.199 5.910 -0.732 1.00 62.11 N ATOM 2093 CA ALA A1017 9.287 6.896 -0.564 1.00 35.43 C ATOM 2094 C ALA A1017 9.690 7.056 0.919 1.00 52.14 C ATOM 2095 O ALA A1017 10.838 6.803 1.285 1.00 13.45 O ATOM 2096 CB ALA A1017 8.886 8.252 -1.163 1.00 5.10 C ATOM 0 H ALA A1017 7.335 6.312 -1.095 1.00 62.11 H new ATOM 0 HA ALA A1017 10.156 6.519 -1.102 1.00 35.43 H new ATOM 0 HB1 ALA A1017 9.700 8.964 -1.029 1.00 5.10 H new ATOM 0 HB2 ALA A1017 8.679 8.133 -2.227 1.00 5.10 H new ATOM 0 HB3 ALA A1017 7.993 8.623 -0.659 1.00 5.10 H new ATOM 2102 N LYS A1018 8.707 7.421 1.767 1.00 3.14 N ATOM 2103 CA LYS A1018 8.932 7.764 3.194 1.00 30.22 C ATOM 2104 C LYS A1018 9.324 6.500 3.997 1.00 21.44 C ATOM 2105 O LYS A1018 10.142 6.560 4.928 1.00 44.31 O ATOM 2106 CB LYS A1018 7.644 8.458 3.755 1.00 51.01 C ATOM 2107 CG LYS A1018 7.806 9.381 4.997 1.00 71.54 C ATOM 2108 CD LYS A1018 8.151 8.636 6.312 1.00 70.24 C ATOM 2109 CE LYS A1018 7.823 9.459 7.564 1.00 43.55 C ATOM 2110 NZ LYS A1018 6.357 9.686 7.687 1.00 73.02 N ATOM 0 H LYS A1018 7.729 7.488 1.484 1.00 3.14 H new ATOM 0 HA LYS A1018 9.763 8.462 3.291 1.00 30.22 H new ATOM 0 HB2 LYS A1018 7.204 9.049 2.952 1.00 51.01 H new ATOM 0 HB3 LYS A1018 6.925 7.678 4.007 1.00 51.01 H new ATOM 0 HG2 LYS A1018 8.589 10.111 4.792 1.00 71.54 H new ATOM 0 HG3 LYS A1018 6.881 9.939 5.142 1.00 71.54 H new ATOM 0 HD2 LYS A1018 7.601 7.695 6.347 1.00 70.24 H new ATOM 0 HD3 LYS A1018 9.212 8.385 6.315 1.00 70.24 H new ATOM 0 HE2 LYS A1018 8.189 8.941 8.450 1.00 43.55 H new ATOM 0 HE3 LYS A1018 8.340 10.417 7.519 1.00 43.55 H new ATOM 0 HZ1 LYS A1018 6.121 9.899 8.677 1.00 73.02 H new ATOM 0 HZ2 LYS A1018 6.078 10.487 7.085 1.00 73.02 H new ATOM 0 HZ3 LYS A1018 5.847 8.831 7.385 1.00 73.02 H new ATOM 2124 N MET A1019 8.782 5.341 3.604 1.00 60.25 N ATOM 2125 CA MET A1019 9.096 4.077 4.282 1.00 34.31 C ATOM 2126 C MET A1019 10.477 3.566 3.840 1.00 60.55 C ATOM 2127 O MET A1019 11.123 2.816 4.570 1.00 61.24 O ATOM 2128 CB MET A1019 7.992 2.997 4.098 1.00 70.22 C ATOM 2129 CG MET A1019 8.127 2.077 2.862 1.00 44.25 C ATOM 2130 SD MET A1019 7.685 0.371 3.245 1.00 73.33 S ATOM 2131 CE MET A1019 8.772 0.053 4.635 1.00 0.13 C ATOM 0 H MET A1019 8.129 5.252 2.826 1.00 60.25 H new ATOM 0 HA MET A1019 9.127 4.282 5.352 1.00 34.31 H new ATOM 0 HB2 MET A1019 7.975 2.370 4.990 1.00 70.22 H new ATOM 0 HB3 MET A1019 7.027 3.501 4.045 1.00 70.22 H new ATOM 0 HG2 MET A1019 7.487 2.447 2.062 1.00 44.25 H new ATOM 0 HG3 MET A1019 9.152 2.113 2.493 1.00 44.25 H new ATOM 0 HE1 MET A1019 8.257 -0.573 5.363 1.00 0.13 H new ATOM 0 HE2 MET A1019 9.669 -0.459 4.286 1.00 0.13 H new ATOM 0 HE3 MET A1019 9.051 0.997 5.102 1.00 0.13 H new ATOM 2141 N ALA A1020 10.913 3.964 2.626 1.00 44.43 N ATOM 2142 CA ALA A1020 12.313 3.790 2.197 1.00 52.41 C ATOM 2143 C ALA A1020 13.233 4.734 3.000 1.00 34.53 C ATOM 2144 O ALA A1020 14.406 4.415 3.237 1.00 63.42 O ATOM 2145 CB ALA A1020 12.458 4.034 0.687 1.00 24.30 C ATOM 0 H ALA A1020 10.315 4.407 1.928 1.00 44.43 H new ATOM 0 HA ALA A1020 12.613 2.761 2.396 1.00 52.41 H new ATOM 0 HB1 ALA A1020 13.500 3.900 0.395 1.00 24.30 H new ATOM 0 HB2 ALA A1020 11.834 3.325 0.142 1.00 24.30 H new ATOM 0 HB3 ALA A1020 12.143 5.050 0.451 1.00 24.30 H new ATOM 2151 N LEU A1021 12.687 5.906 3.404 1.00 61.24 N ATOM 2152 CA LEU A1021 13.393 6.872 4.274 1.00 63.31 C ATOM 2153 C LEU A1021 13.489 6.364 5.736 1.00 22.13 C ATOM 2154 O LEU A1021 14.321 6.869 6.494 1.00 11.21 O ATOM 2155 CB LEU A1021 12.719 8.278 4.231 1.00 20.23 C ATOM 2156 CG LEU A1021 12.635 8.974 2.832 1.00 25.33 C ATOM 2157 CD1 LEU A1021 11.982 10.370 2.935 1.00 13.44 C ATOM 2158 CD2 LEU A1021 14.013 9.041 2.142 1.00 33.41 C ATOM 0 H LEU A1021 11.749 6.206 3.137 1.00 61.24 H new ATOM 0 HA LEU A1021 14.406 6.967 3.883 1.00 63.31 H new ATOM 0 HB2 LEU A1021 11.707 8.183 4.625 1.00 20.23 H new ATOM 0 HB3 LEU A1021 13.263 8.937 4.907 1.00 20.23 H new ATOM 0 HG LEU A1021 11.992 8.358 2.203 1.00 25.33 H new ATOM 0 HD11 LEU A1021 11.939 10.826 1.946 1.00 13.44 H new ATOM 0 HD12 LEU A1021 10.972 10.271 3.333 1.00 13.44 H new ATOM 0 HD13 LEU A1021 12.573 11.000 3.599 1.00 13.44 H new ATOM 0 HD21 LEU A1021 13.912 9.531 1.174 1.00 33.41 H new ATOM 0 HD22 LEU A1021 14.705 9.608 2.765 1.00 33.41 H new ATOM 0 HD23 LEU A1021 14.398 8.031 1.999 1.00 33.41 H new ATOM 2170 N LEU A1022 12.603 5.413 6.142 1.00 20.42 N ATOM 2171 CA LEU A1022 12.756 4.674 7.434 1.00 14.23 C ATOM 2172 C LEU A1022 14.174 4.033 7.534 1.00 3.45 C ATOM 2173 O LEU A1022 14.502 3.145 6.738 1.00 53.32 O ATOM 2174 CB LEU A1022 11.685 3.550 7.610 1.00 50.53 C ATOM 2175 CG LEU A1022 10.199 3.988 7.785 1.00 53.23 C ATOM 2176 CD1 LEU A1022 9.268 2.757 7.885 1.00 2.34 C ATOM 2177 CD2 LEU A1022 10.022 4.905 9.005 1.00 12.53 C ATOM 0 H LEU A1022 11.782 5.140 5.602 1.00 20.42 H new ATOM 0 HA LEU A1022 12.616 5.409 8.227 1.00 14.23 H new ATOM 0 HB2 LEU A1022 11.741 2.894 6.742 1.00 50.53 H new ATOM 0 HB3 LEU A1022 11.964 2.954 8.479 1.00 50.53 H new ATOM 0 HG LEU A1022 9.919 4.558 6.899 1.00 53.23 H new ATOM 0 HD11 LEU A1022 8.237 3.089 8.007 1.00 2.34 H new ATOM 0 HD12 LEU A1022 9.353 2.162 6.976 1.00 2.34 H new ATOM 0 HD13 LEU A1022 9.557 2.151 8.743 1.00 2.34 H new ATOM 0 HD21 LEU A1022 8.974 5.191 9.096 1.00 12.53 H new ATOM 0 HD22 LEU A1022 10.334 4.376 9.906 1.00 12.53 H new ATOM 0 HD23 LEU A1022 10.632 5.799 8.880 1.00 12.53 H new ATOM 2189 N PRO A1023 15.048 4.495 8.493 1.00 33.41 N ATOM 2190 CA PRO A1023 16.410 3.954 8.674 1.00 53.32 C ATOM 2191 C PRO A1023 16.485 2.862 9.767 1.00 34.25 C ATOM 2192 O PRO A1023 17.545 2.648 10.363 1.00 14.14 O ATOM 2193 CB PRO A1023 17.181 5.233 9.065 1.00 2.11 C ATOM 2194 CG PRO A1023 16.205 6.024 9.902 1.00 33.43 C ATOM 2195 CD PRO A1023 14.800 5.610 9.456 1.00 31.32 C ATOM 0 HA PRO A1023 16.803 3.441 7.796 1.00 53.32 H new ATOM 0 HB2 PRO A1023 18.084 4.995 9.627 1.00 2.11 H new ATOM 0 HB3 PRO A1023 17.493 5.793 8.184 1.00 2.11 H new ATOM 0 HG2 PRO A1023 16.350 5.818 10.962 1.00 33.43 H new ATOM 0 HG3 PRO A1023 16.355 7.095 9.762 1.00 33.43 H new ATOM 0 HD2 PRO A1023 14.192 5.283 10.300 1.00 31.32 H new ATOM 0 HD3 PRO A1023 14.270 6.437 8.983 1.00 31.32 H new ATOM 2203 N ALA A1024 15.363 2.155 9.999 1.00 12.45 N ATOM 2204 CA ALA A1024 15.263 1.095 11.029 1.00 52.22 C ATOM 2205 C ALA A1024 14.903 -0.252 10.369 1.00 32.31 C ATOM 2206 O ALA A1024 15.587 -1.267 10.567 1.00 14.30 O ATOM 2207 CB ALA A1024 14.220 1.492 12.093 1.00 43.32 C ATOM 0 H ALA A1024 14.498 2.300 9.479 1.00 12.45 H new ATOM 0 HA ALA A1024 16.227 0.981 11.525 1.00 52.22 H new ATOM 0 HB1 ALA A1024 14.152 0.707 12.847 1.00 43.32 H new ATOM 0 HB2 ALA A1024 14.521 2.426 12.567 1.00 43.32 H new ATOM 0 HB3 ALA A1024 13.248 1.624 11.618 1.00 43.32 H new ATOM 2213 N VAL A1025 13.819 -0.229 9.573 1.00 2.43 N ATOM 2214 CA VAL A1025 13.293 -1.394 8.827 1.00 12.13 C ATOM 2215 C VAL A1025 12.928 -0.955 7.378 1.00 20.10 C ATOM 2216 O VAL A1025 13.208 -1.710 6.424 1.00 54.42 O ATOM 2217 CB VAL A1025 12.039 -2.057 9.543 1.00 33.30 C ATOM 2218 CG1 VAL A1025 12.436 -2.786 10.853 1.00 21.41 C ATOM 2219 CG2 VAL A1025 10.920 -1.021 9.804 1.00 33.42 C ATOM 2220 OXT VAL A1025 12.411 0.173 7.202 1.00 38.19 O ATOM 0 H VAL A1025 13.270 0.618 9.425 1.00 2.43 H new ATOM 0 HA VAL A1025 14.073 -2.155 8.799 1.00 12.13 H new ATOM 0 HB VAL A1025 11.647 -2.808 8.858 1.00 33.30 H new ATOM 0 HG11 VAL A1025 11.548 -3.224 11.309 1.00 21.41 H new ATOM 0 HG12 VAL A1025 13.155 -3.574 10.627 1.00 21.41 H new ATOM 0 HG13 VAL A1025 12.885 -2.073 11.545 1.00 21.41 H new ATOM 0 HG21 VAL A1025 10.079 -1.510 10.295 1.00 33.42 H new ATOM 0 HG22 VAL A1025 11.302 -0.227 10.445 1.00 33.42 H new ATOM 0 HG23 VAL A1025 10.590 -0.595 8.856 1.00 33.42 H new TER 2230 VAL A1025