USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=31 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: A1014 ASN : amide:sc= 0.393 K(o=0.81,f=-0.89) USER MOD Set 1.2: A1018 LYS NZ :NH3+ -161:sc= 0.414 (180deg=-0.147) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= 0 F(o=-1.5,f=-0.54) USER MOD Set 2.2: A 70 GLN : amide:sc= -0.536 K(o=-0.54,f=-3.5!) USER MOD Set 3.1: A 18 SER OG : rot -80:sc= -0.135 USER MOD Set 3.2: A 40 TYR OH : rot 171:sc= -0.0873 USER MOD Set 3.3: A 71 THR OG1 : rot -126:sc= -0.957! USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.00611) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0803 (180deg=-0.0803) 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= 0.748 K(o=0.75,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 20 SER OG : rot 80:sc= 0.659 USER MOD Single : A 26 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.36) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00459 F(o=-0.95,f=-0.0046) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 43 SER OG : rot 77:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -156:sc= -0.666 (180deg=-2.17!) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0315) USER MOD Single : A 51 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.1) USER MOD Single : A 52 THR OG1 : rot -93:sc= 0.833 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.237 K(o=0.24,f=-0.58) USER MOD Single : A 63 MET CE :methyl -160:sc= -0.357 (180deg=-1.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -3.33! C(o=-3.3!,f=-5.7!) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.072) USER MOD Single : A 84 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.016) USER MOD Single : A 90 SER OG : rot -81:sc= 0.84 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.97) USER MOD Single : A 99 GLN : amide:sc= 0.112 K(o=0.11,f=-3.5!) USER MOD Single : A 102 SER OG : rot 180:sc= 0.218 USER MOD Single : A 110 SER OG : rot 49:sc= 0.124 USER MOD Single : A1001 MET CE :methyl -174:sc= -0.82 (180deg=-0.868) USER MOD Single : A1002 THR OG1 : rot -80:sc= 0.46 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -3:sc= 0.0922 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1019 MET CE :methyl -163:sc= -4.37! (180deg=-5.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.108 -5.128 25.332 1.00 12.21 N ATOM 2 CA MET A 1 4.813 -5.966 24.138 1.00 21.25 C ATOM 3 C MET A 1 3.847 -5.244 23.164 1.00 55.23 C ATOM 4 O MET A 1 3.698 -5.667 22.011 1.00 53.13 O ATOM 5 CB MET A 1 4.230 -7.343 24.583 1.00 42.13 C ATOM 6 CG MET A 1 4.022 -8.362 23.447 1.00 53.33 C ATOM 7 SD MET A 1 3.207 -9.877 23.995 1.00 75.54 S ATOM 8 CE MET A 1 2.956 -10.730 22.436 1.00 71.12 C ATOM 0 H1 MET A 1 5.757 -5.640 25.964 1.00 12.21 H new ATOM 0 H2 MET A 1 5.550 -4.237 25.030 1.00 12.21 H new ATOM 0 H3 MET A 1 4.223 -4.921 25.838 1.00 12.21 H new ATOM 0 HA MET A 1 5.746 -6.137 23.601 1.00 21.25 H new ATOM 0 HB2 MET A 1 4.898 -7.780 25.325 1.00 42.13 H new ATOM 0 HB3 MET A 1 3.273 -7.173 25.077 1.00 42.13 H new ATOM 0 HG2 MET A 1 3.427 -7.901 22.658 1.00 53.33 H new ATOM 0 HG3 MET A 1 4.989 -8.614 23.011 1.00 53.33 H new ATOM 0 HE1 MET A 1 2.139 -11.444 22.539 1.00 71.12 H new ATOM 0 HE2 MET A 1 2.709 -10.005 21.660 1.00 71.12 H new ATOM 0 HE3 MET A 1 3.868 -11.260 22.160 1.00 71.12 H new ATOM 20 N THR A 2 3.211 -4.139 23.621 1.00 74.14 N ATOM 21 CA THR A 2 2.221 -3.384 22.819 1.00 63.11 C ATOM 22 C THR A 2 2.821 -2.913 21.473 1.00 54.31 C ATOM 23 O THR A 2 2.154 -2.986 20.440 1.00 73.42 O ATOM 24 CB THR A 2 1.667 -2.152 23.616 1.00 60.54 C ATOM 25 OG1 THR A 2 1.205 -2.583 24.904 1.00 34.43 O ATOM 26 CG2 THR A 2 0.510 -1.445 22.881 1.00 1.54 C ATOM 0 H THR A 2 3.369 -3.749 24.550 1.00 74.14 H new ATOM 0 HA THR A 2 1.396 -4.065 22.608 1.00 63.11 H new ATOM 0 HB THR A 2 2.485 -1.438 23.715 1.00 60.54 H new ATOM 0 HG1 THR A 2 0.860 -1.813 25.403 1.00 34.43 H new ATOM 0 HG21 THR A 2 0.164 -0.600 23.476 1.00 1.54 H new ATOM 0 HG22 THR A 2 0.859 -1.088 21.912 1.00 1.54 H new ATOM 0 HG23 THR A 2 -0.311 -2.147 22.735 1.00 1.54 H new ATOM 34 N SER A 3 4.101 -2.475 21.508 1.00 22.12 N ATOM 35 CA SER A 3 4.844 -2.010 20.319 1.00 3.42 C ATOM 36 C SER A 3 5.013 -3.153 19.291 1.00 13.42 C ATOM 37 O SER A 3 4.815 -2.948 18.084 1.00 52.42 O ATOM 38 CB SER A 3 6.223 -1.464 20.758 1.00 45.43 C ATOM 39 OG SER A 3 6.083 -0.566 21.847 1.00 53.14 O ATOM 0 H SER A 3 4.648 -2.435 22.368 1.00 22.12 H new ATOM 0 HA SER A 3 4.278 -1.213 19.837 1.00 3.42 H new ATOM 0 HB2 SER A 3 6.873 -2.291 21.043 1.00 45.43 H new ATOM 0 HB3 SER A 3 6.702 -0.956 19.921 1.00 45.43 H new ATOM 0 HG SER A 3 6.966 -0.233 22.112 1.00 53.14 H new ATOM 45 N THR A 4 5.373 -4.352 19.809 1.00 64.00 N ATOM 46 CA THR A 4 5.510 -5.596 19.026 1.00 25.13 C ATOM 47 C THR A 4 4.210 -5.907 18.259 1.00 12.15 C ATOM 48 O THR A 4 4.205 -5.962 17.019 1.00 22.51 O ATOM 49 CB THR A 4 5.856 -6.806 19.974 1.00 33.43 C ATOM 50 OG1 THR A 4 7.066 -6.541 20.693 1.00 22.32 O ATOM 51 CG2 THR A 4 5.984 -8.139 19.217 1.00 34.32 C ATOM 0 H THR A 4 5.579 -4.480 20.800 1.00 64.00 H new ATOM 0 HA THR A 4 6.319 -5.453 18.310 1.00 25.13 H new ATOM 0 HB THR A 4 5.023 -6.908 20.670 1.00 33.43 H new ATOM 0 HG1 THR A 4 7.270 -7.299 21.280 1.00 22.32 H new ATOM 0 HG21 THR A 4 6.223 -8.936 19.921 1.00 34.32 H new ATOM 0 HG22 THR A 4 5.042 -8.366 18.718 1.00 34.32 H new ATOM 0 HG23 THR A 4 6.778 -8.061 18.474 1.00 34.32 H new ATOM 59 N VAL A 5 3.106 -6.035 19.029 1.00 1.41 N ATOM 60 CA VAL A 5 1.783 -6.435 18.509 1.00 65.02 C ATOM 61 C VAL A 5 1.293 -5.419 17.463 1.00 74.44 C ATOM 62 O VAL A 5 0.850 -5.797 16.381 1.00 21.34 O ATOM 63 CB VAL A 5 0.726 -6.574 19.675 1.00 50.12 C ATOM 64 CG1 VAL A 5 -0.639 -7.084 19.146 1.00 50.34 C ATOM 65 CG2 VAL A 5 1.261 -7.502 20.795 1.00 13.34 C ATOM 0 H VAL A 5 3.110 -5.862 20.034 1.00 1.41 H new ATOM 0 HA VAL A 5 1.889 -7.411 18.035 1.00 65.02 H new ATOM 0 HB VAL A 5 0.568 -5.581 20.096 1.00 50.12 H new ATOM 0 HG11 VAL A 5 -1.342 -7.168 19.975 1.00 50.34 H new ATOM 0 HG12 VAL A 5 -1.029 -6.382 18.409 1.00 50.34 H new ATOM 0 HG13 VAL A 5 -0.507 -8.061 18.682 1.00 50.34 H new ATOM 0 HG21 VAL A 5 0.517 -7.583 21.587 1.00 13.34 H new ATOM 0 HG22 VAL A 5 1.462 -8.491 20.383 1.00 13.34 H new ATOM 0 HG23 VAL A 5 2.182 -7.086 21.204 1.00 13.34 H new ATOM 75 N GLU A 6 1.460 -4.130 17.797 1.00 11.34 N ATOM 76 CA GLU A 6 1.075 -2.998 16.942 1.00 54.13 C ATOM 77 C GLU A 6 1.756 -3.098 15.568 1.00 41.04 C ATOM 78 O GLU A 6 1.093 -3.107 14.524 1.00 51.34 O ATOM 79 CB GLU A 6 1.479 -1.662 17.637 1.00 51.42 C ATOM 80 CG GLU A 6 1.010 -0.380 16.921 1.00 53.54 C ATOM 81 CD GLU A 6 -0.518 -0.225 16.908 1.00 4.20 C ATOM 82 OE1 GLU A 6 -1.175 -0.603 15.912 1.00 0.42 O ATOM 83 OE2 GLU A 6 -1.075 0.257 17.910 1.00 73.42 O ATOM 0 H GLU A 6 1.873 -3.841 18.684 1.00 11.34 H new ATOM 0 HA GLU A 6 -0.004 -3.022 16.793 1.00 54.13 H new ATOM 0 HB2 GLU A 6 1.075 -1.662 18.649 1.00 51.42 H new ATOM 0 HB3 GLU A 6 2.565 -1.632 17.727 1.00 51.42 H new ATOM 0 HG2 GLU A 6 1.453 0.487 17.412 1.00 53.54 H new ATOM 0 HG3 GLU A 6 1.378 -0.388 15.895 1.00 53.54 H new ATOM 90 N PHE A 7 3.087 -3.242 15.613 1.00 54.13 N ATOM 91 CA PHE A 7 3.962 -3.184 14.438 1.00 2.12 C ATOM 92 C PHE A 7 3.670 -4.353 13.477 1.00 35.04 C ATOM 93 O PHE A 7 3.369 -4.133 12.292 1.00 33.42 O ATOM 94 CB PHE A 7 5.437 -3.191 14.922 1.00 70.01 C ATOM 95 CG PHE A 7 6.447 -2.628 13.933 1.00 22.51 C ATOM 96 CD1 PHE A 7 7.469 -3.414 13.416 1.00 21.13 C ATOM 97 CD2 PHE A 7 6.381 -1.287 13.552 1.00 72.43 C ATOM 98 CE1 PHE A 7 8.389 -2.877 12.543 1.00 44.12 C ATOM 99 CE2 PHE A 7 7.296 -0.753 12.678 1.00 1.34 C ATOM 100 CZ PHE A 7 8.303 -1.547 12.173 1.00 43.03 C ATOM 0 H PHE A 7 3.593 -3.405 16.483 1.00 54.13 H new ATOM 0 HA PHE A 7 3.775 -2.267 13.879 1.00 2.12 H new ATOM 0 HB2 PHE A 7 5.501 -2.619 15.848 1.00 70.01 H new ATOM 0 HB3 PHE A 7 5.719 -4.216 15.161 1.00 70.01 H new ATOM 0 HD1 PHE A 7 7.543 -4.453 13.701 1.00 21.13 H new ATOM 0 HD2 PHE A 7 5.598 -0.659 13.951 1.00 72.43 H new ATOM 0 HE1 PHE A 7 9.180 -3.496 12.146 1.00 44.12 H new ATOM 0 HE2 PHE A 7 7.227 0.285 12.388 1.00 1.34 H new ATOM 0 HZ PHE A 7 9.026 -1.130 11.487 1.00 43.03 H new ATOM 110 N ILE A 8 3.696 -5.580 14.036 1.00 24.01 N ATOM 111 CA ILE A 8 3.492 -6.829 13.279 1.00 74.04 C ATOM 112 C ILE A 8 2.086 -6.875 12.645 1.00 51.45 C ATOM 113 O ILE A 8 1.960 -7.204 11.468 1.00 54.24 O ATOM 114 CB ILE A 8 3.701 -8.095 14.200 1.00 4.25 C ATOM 115 CG1 ILE A 8 5.137 -8.103 14.816 1.00 34.32 C ATOM 116 CG2 ILE A 8 3.424 -9.417 13.432 1.00 34.11 C ATOM 117 CD1 ILE A 8 5.374 -9.188 15.858 1.00 12.02 C ATOM 0 H ILE A 8 3.860 -5.732 15.031 1.00 24.01 H new ATOM 0 HA ILE A 8 4.236 -6.847 12.483 1.00 74.04 H new ATOM 0 HB ILE A 8 2.977 -8.030 15.013 1.00 4.25 H new ATOM 0 HG12 ILE A 8 5.862 -8.225 14.012 1.00 34.32 H new ATOM 0 HG13 ILE A 8 5.328 -7.132 15.272 1.00 34.32 H new ATOM 0 HG21 ILE A 8 3.579 -10.265 14.099 1.00 34.11 H new ATOM 0 HG22 ILE A 8 2.395 -9.421 13.073 1.00 34.11 H new ATOM 0 HG23 ILE A 8 4.104 -9.494 12.584 1.00 34.11 H new ATOM 0 HD11 ILE A 8 6.396 -9.118 16.230 1.00 12.02 H new ATOM 0 HD12 ILE A 8 4.676 -9.057 16.685 1.00 12.02 H new ATOM 0 HD13 ILE A 8 5.219 -10.167 15.405 1.00 12.02 H new ATOM 129 N ASN A 9 1.047 -6.517 13.441 1.00 32.31 N ATOM 130 CA ASN A 9 -0.367 -6.575 12.995 1.00 21.11 C ATOM 131 C ASN A 9 -0.635 -5.573 11.863 1.00 24.13 C ATOM 132 O ASN A 9 -1.318 -5.915 10.894 1.00 50.12 O ATOM 133 CB ASN A 9 -1.357 -6.351 14.185 1.00 33.22 C ATOM 134 CG ASN A 9 -1.675 -7.643 14.954 1.00 64.14 C ATOM 135 OD1 ASN A 9 -2.690 -8.292 14.705 1.00 13.22 O ATOM 136 ND2 ASN A 9 -0.788 -8.068 15.838 1.00 4.12 N ATOM 0 H ASN A 9 1.164 -6.184 14.398 1.00 32.31 H new ATOM 0 HA ASN A 9 -0.542 -7.578 12.606 1.00 21.11 H new ATOM 0 HB2 ASN A 9 -0.930 -5.621 14.873 1.00 33.22 H new ATOM 0 HB3 ASN A 9 -2.285 -5.925 13.803 1.00 33.22 H new ATOM 0 HD21 ASN A 9 -0.939 -8.950 16.328 1.00 4.12 H new ATOM 0 HD22 ASN A 9 0.047 -7.514 16.029 1.00 4.12 H new ATOM 143 N ARG A 10 -0.081 -4.344 11.988 1.00 14.43 N ATOM 144 CA ARG A 10 -0.220 -3.311 10.941 1.00 64.34 C ATOM 145 C ARG A 10 0.427 -3.783 9.634 1.00 12.43 C ATOM 146 O ARG A 10 -0.247 -3.827 8.614 1.00 52.34 O ATOM 147 CB ARG A 10 0.393 -1.958 11.384 1.00 43.23 C ATOM 148 CG ARG A 10 -0.405 -1.228 12.479 1.00 11.33 C ATOM 149 CD ARG A 10 0.309 0.038 12.974 1.00 25.31 C ATOM 150 NE ARG A 10 1.648 -0.266 13.520 1.00 4.34 N ATOM 151 CZ ARG A 10 2.555 0.646 13.898 1.00 44.22 C ATOM 152 NH1 ARG A 10 2.290 1.934 13.807 1.00 43.21 N ATOM 153 NH2 ARG A 10 3.716 0.264 14.385 1.00 45.41 N ATOM 0 H ARG A 10 0.462 -4.047 12.799 1.00 14.43 H new ATOM 0 HA ARG A 10 -1.286 -3.154 10.775 1.00 64.34 H new ATOM 0 HB2 ARG A 10 1.406 -2.133 11.745 1.00 43.23 H new ATOM 0 HB3 ARG A 10 0.473 -1.307 10.514 1.00 43.23 H new ATOM 0 HG2 ARG A 10 -1.388 -0.960 12.092 1.00 11.33 H new ATOM 0 HG3 ARG A 10 -0.567 -1.903 13.319 1.00 11.33 H new ATOM 0 HD2 ARG A 10 0.404 0.747 12.152 1.00 25.31 H new ATOM 0 HD3 ARG A 10 -0.296 0.520 13.742 1.00 25.31 H new ATOM 0 HE ARG A 10 1.903 -1.249 13.617 1.00 4.34 H new ATOM 0 HH11 ARG A 10 1.388 2.245 13.446 1.00 43.21 H new ATOM 0 HH12 ARG A 10 2.987 2.620 14.097 1.00 43.21 H new ATOM 0 HH21 ARG A 10 3.929 -0.729 14.476 1.00 45.41 H new ATOM 0 HH22 ARG A 10 4.403 0.961 14.671 1.00 45.41 H new ATOM 167 N TRP A 11 1.718 -4.180 9.698 1.00 33.12 N ATOM 168 CA TRP A 11 2.474 -4.636 8.507 1.00 32.33 C ATOM 169 C TRP A 11 1.843 -5.882 7.862 1.00 4.15 C ATOM 170 O TRP A 11 1.895 -6.037 6.637 1.00 73.24 O ATOM 171 CB TRP A 11 3.969 -4.887 8.851 1.00 42.15 C ATOM 172 CG TRP A 11 4.776 -3.615 8.974 1.00 30.12 C ATOM 173 CD1 TRP A 11 5.326 -3.080 10.102 1.00 0.21 C ATOM 174 CD2 TRP A 11 5.094 -2.706 7.908 1.00 71.01 C ATOM 175 NE1 TRP A 11 5.984 -1.918 9.798 1.00 11.42 N ATOM 176 CE2 TRP A 11 5.850 -1.662 8.463 1.00 75.24 C ATOM 177 CE3 TRP A 11 4.816 -2.681 6.537 1.00 63.43 C ATOM 178 CZ2 TRP A 11 6.331 -0.599 7.704 1.00 61.05 C ATOM 179 CZ3 TRP A 11 5.289 -1.628 5.784 1.00 70.21 C ATOM 180 CH2 TRP A 11 6.040 -0.599 6.371 1.00 40.22 C ATOM 0 H TRP A 11 2.259 -4.194 10.562 1.00 33.12 H new ATOM 0 HA TRP A 11 2.424 -3.831 7.773 1.00 32.33 H new ATOM 0 HB2 TRP A 11 4.031 -5.440 9.788 1.00 42.15 H new ATOM 0 HB3 TRP A 11 4.412 -5.517 8.079 1.00 42.15 H new ATOM 0 HD1 TRP A 11 5.253 -3.510 11.090 1.00 0.21 H new ATOM 0 HE1 TRP A 11 6.493 -1.336 10.463 1.00 11.42 H new ATOM 0 HE3 TRP A 11 4.242 -3.472 6.077 1.00 63.43 H new ATOM 0 HZ2 TRP A 11 6.911 0.194 8.152 1.00 61.05 H new ATOM 0 HZ3 TRP A 11 5.078 -1.595 4.725 1.00 70.21 H new ATOM 0 HH2 TRP A 11 6.396 0.212 5.753 1.00 40.22 H new ATOM 191 N GLN A 12 1.241 -6.752 8.700 1.00 64.42 N ATOM 192 CA GLN A 12 0.539 -7.961 8.238 1.00 63.21 C ATOM 193 C GLN A 12 -0.686 -7.562 7.408 1.00 44.24 C ATOM 194 O GLN A 12 -0.898 -8.091 6.309 1.00 11.12 O ATOM 195 CB GLN A 12 0.139 -8.865 9.447 1.00 71.33 C ATOM 196 CG GLN A 12 -0.527 -10.224 9.071 1.00 2.40 C ATOM 197 CD GLN A 12 -2.057 -10.268 9.209 1.00 74.31 C ATOM 198 OE1 GLN A 12 -2.746 -9.248 9.128 1.00 35.52 O ATOM 199 NE2 GLN A 12 -2.604 -11.469 9.355 1.00 42.40 N ATOM 0 H GLN A 12 1.230 -6.634 9.713 1.00 64.42 H new ATOM 0 HA GLN A 12 1.209 -8.543 7.605 1.00 63.21 H new ATOM 0 HB2 GLN A 12 1.032 -9.068 10.039 1.00 71.33 H new ATOM 0 HB3 GLN A 12 -0.547 -8.307 10.085 1.00 71.33 H new ATOM 0 HG2 GLN A 12 -0.265 -10.465 8.041 1.00 2.40 H new ATOM 0 HG3 GLN A 12 -0.100 -11.005 9.700 1.00 2.40 H new ATOM 0 HE21 GLN A 12 -2.010 -12.296 9.419 1.00 42.40 H new ATOM 0 HE22 GLN A 12 -3.618 -11.565 9.403 1.00 42.40 H new ATOM 208 N ARG A 13 -1.472 -6.599 7.947 1.00 63.53 N ATOM 209 CA ARG A 13 -2.657 -6.058 7.267 1.00 70.03 C ATOM 210 C ARG A 13 -2.269 -5.413 5.932 1.00 24.21 C ATOM 211 O ARG A 13 -2.885 -5.707 4.928 1.00 61.21 O ATOM 212 CB ARG A 13 -3.409 -5.030 8.165 1.00 71.44 C ATOM 213 CG ARG A 13 -4.183 -5.657 9.349 1.00 2.15 C ATOM 214 CD ARG A 13 -5.257 -6.659 8.879 1.00 72.15 C ATOM 215 NE ARG A 13 -6.117 -7.135 9.975 1.00 71.53 N ATOM 216 CZ ARG A 13 -7.233 -7.870 9.814 1.00 44.31 C ATOM 217 NH1 ARG A 13 -7.636 -8.242 8.596 1.00 51.34 N ATOM 218 NH2 ARG A 13 -7.944 -8.219 10.869 1.00 32.51 N ATOM 0 H ARG A 13 -1.297 -6.182 8.861 1.00 63.53 H new ATOM 0 HA ARG A 13 -3.332 -6.891 7.071 1.00 70.03 H new ATOM 0 HB2 ARG A 13 -2.687 -4.314 8.558 1.00 71.44 H new ATOM 0 HB3 ARG A 13 -4.109 -4.470 7.546 1.00 71.44 H new ATOM 0 HG2 ARG A 13 -3.481 -6.164 10.012 1.00 2.15 H new ATOM 0 HG3 ARG A 13 -4.656 -4.866 9.931 1.00 2.15 H new ATOM 0 HD2 ARG A 13 -5.877 -6.188 8.116 1.00 72.15 H new ATOM 0 HD3 ARG A 13 -4.769 -7.513 8.410 1.00 72.15 H new ATOM 0 HE ARG A 13 -5.847 -6.889 10.927 1.00 71.53 H new ATOM 0 HH11 ARG A 13 -7.096 -7.969 7.775 1.00 51.34 H new ATOM 0 HH12 ARG A 13 -8.484 -8.799 8.487 1.00 51.34 H new ATOM 0 HH21 ARG A 13 -7.647 -7.932 11.802 1.00 32.51 H new ATOM 0 HH22 ARG A 13 -8.790 -8.776 10.752 1.00 32.51 H new ATOM 232 N ILE A 14 -1.210 -4.581 5.946 1.00 14.50 N ATOM 233 CA ILE A 14 -0.741 -3.825 4.761 1.00 1.41 C ATOM 234 C ILE A 14 -0.261 -4.783 3.648 1.00 1.53 C ATOM 235 O ILE A 14 -0.530 -4.549 2.470 1.00 33.42 O ATOM 236 CB ILE A 14 0.410 -2.820 5.160 1.00 31.40 C ATOM 237 CG1 ILE A 14 -0.092 -1.829 6.244 1.00 25.45 C ATOM 238 CG2 ILE A 14 0.969 -2.041 3.945 1.00 62.50 C ATOM 239 CD1 ILE A 14 0.980 -0.926 6.809 1.00 62.40 C ATOM 0 H ILE A 14 -0.651 -4.411 6.782 1.00 14.50 H new ATOM 0 HA ILE A 14 -1.583 -3.250 4.375 1.00 1.41 H new ATOM 0 HB ILE A 14 1.228 -3.418 5.562 1.00 31.40 H new ATOM 0 HG12 ILE A 14 -0.882 -1.211 5.816 1.00 25.45 H new ATOM 0 HG13 ILE A 14 -0.538 -2.398 7.060 1.00 25.45 H new ATOM 0 HG21 ILE A 14 1.757 -1.365 4.277 1.00 62.50 H new ATOM 0 HG22 ILE A 14 1.376 -2.744 3.218 1.00 62.50 H new ATOM 0 HG23 ILE A 14 0.168 -1.465 3.482 1.00 62.50 H new ATOM 0 HD11 ILE A 14 0.542 -0.267 7.559 1.00 62.40 H new ATOM 0 HD12 ILE A 14 1.760 -1.532 7.270 1.00 62.40 H new ATOM 0 HD13 ILE A 14 1.411 -0.327 6.007 1.00 62.40 H new ATOM 251 N ALA A 15 0.420 -5.874 4.055 1.00 62.54 N ATOM 252 CA ALA A 15 0.930 -6.901 3.131 1.00 14.14 C ATOM 253 C ALA A 15 -0.222 -7.670 2.467 1.00 63.41 C ATOM 254 O ALA A 15 -0.209 -7.884 1.252 1.00 12.42 O ATOM 255 CB ALA A 15 1.861 -7.871 3.868 1.00 41.33 C ATOM 0 H ALA A 15 0.630 -6.065 5.035 1.00 62.54 H new ATOM 0 HA ALA A 15 1.496 -6.396 2.348 1.00 14.14 H new ATOM 0 HB1 ALA A 15 2.229 -8.623 3.170 1.00 41.33 H new ATOM 0 HB2 ALA A 15 2.704 -7.320 4.285 1.00 41.33 H new ATOM 0 HB3 ALA A 15 1.313 -8.360 4.673 1.00 41.33 H new ATOM 261 N LEU A 16 -1.217 -8.076 3.285 1.00 12.51 N ATOM 262 CA LEU A 16 -2.395 -8.829 2.807 1.00 53.22 C ATOM 263 C LEU A 16 -3.328 -7.930 1.973 1.00 44.42 C ATOM 264 O LEU A 16 -3.960 -8.401 1.020 1.00 0.10 O ATOM 265 CB LEU A 16 -3.165 -9.466 3.999 1.00 14.02 C ATOM 266 CG LEU A 16 -2.396 -10.559 4.806 1.00 31.42 C ATOM 267 CD1 LEU A 16 -3.258 -11.124 5.948 1.00 63.53 C ATOM 268 CD2 LEU A 16 -1.884 -11.691 3.889 1.00 43.21 C ATOM 0 H LEU A 16 -1.226 -7.892 4.288 1.00 12.51 H new ATOM 0 HA LEU A 16 -2.039 -9.632 2.162 1.00 53.22 H new ATOM 0 HB2 LEU A 16 -3.453 -8.670 4.686 1.00 14.02 H new ATOM 0 HB3 LEU A 16 -4.086 -9.906 3.617 1.00 14.02 H new ATOM 0 HG LEU A 16 -1.526 -10.076 5.250 1.00 31.42 H new ATOM 0 HD11 LEU A 16 -2.693 -11.882 6.490 1.00 63.53 H new ATOM 0 HD12 LEU A 16 -3.531 -10.319 6.630 1.00 63.53 H new ATOM 0 HD13 LEU A 16 -4.162 -11.572 5.534 1.00 63.53 H new ATOM 0 HD21 LEU A 16 -1.354 -12.432 4.487 1.00 43.21 H new ATOM 0 HD22 LEU A 16 -2.729 -12.165 3.389 1.00 43.21 H new ATOM 0 HD23 LEU A 16 -1.207 -11.276 3.142 1.00 43.21 H new ATOM 280 N LEU A 17 -3.388 -6.631 2.331 1.00 54.23 N ATOM 281 CA LEU A 17 -4.185 -5.631 1.607 1.00 70.21 C ATOM 282 C LEU A 17 -3.595 -5.427 0.211 1.00 22.33 C ATOM 283 O LEU A 17 -4.294 -5.617 -0.762 1.00 75.43 O ATOM 284 CB LEU A 17 -4.262 -4.278 2.383 1.00 13.53 C ATOM 285 CG LEU A 17 -5.257 -4.223 3.591 1.00 33.44 C ATOM 286 CD1 LEU A 17 -5.067 -2.935 4.426 1.00 23.01 C ATOM 287 CD2 LEU A 17 -6.719 -4.366 3.112 1.00 31.44 C ATOM 0 H LEU A 17 -2.883 -6.250 3.131 1.00 54.23 H new ATOM 0 HA LEU A 17 -5.206 -6.002 1.518 1.00 70.21 H new ATOM 0 HB2 LEU A 17 -3.264 -4.038 2.751 1.00 13.53 H new ATOM 0 HB3 LEU A 17 -4.538 -3.495 1.677 1.00 13.53 H new ATOM 0 HG LEU A 17 -5.032 -5.069 4.241 1.00 33.44 H new ATOM 0 HD11 LEU A 17 -5.774 -2.931 5.255 1.00 23.01 H new ATOM 0 HD12 LEU A 17 -4.050 -2.901 4.816 1.00 23.01 H new ATOM 0 HD13 LEU A 17 -5.243 -2.063 3.796 1.00 23.01 H new ATOM 0 HD21 LEU A 17 -7.389 -4.324 3.971 1.00 31.44 H new ATOM 0 HD22 LEU A 17 -6.958 -3.554 2.426 1.00 31.44 H new ATOM 0 HD23 LEU A 17 -6.843 -5.321 2.601 1.00 31.44 H new ATOM 299 N SER A 18 -2.285 -5.110 0.137 1.00 15.40 N ATOM 300 CA SER A 18 -1.582 -4.835 -1.136 1.00 55.32 C ATOM 301 C SER A 18 -1.587 -6.074 -2.046 1.00 40.52 C ATOM 302 O SER A 18 -1.653 -5.945 -3.266 1.00 44.31 O ATOM 303 CB SER A 18 -0.134 -4.387 -0.858 1.00 11.04 C ATOM 304 OG SER A 18 0.555 -5.349 -0.082 1.00 10.44 O ATOM 0 H SER A 18 -1.684 -5.037 0.958 1.00 15.40 H new ATOM 0 HA SER A 18 -2.110 -4.032 -1.650 1.00 55.32 H new ATOM 0 HB2 SER A 18 0.390 -4.233 -1.801 1.00 11.04 H new ATOM 0 HB3 SER A 18 -0.140 -3.430 -0.336 1.00 11.04 H new ATOM 0 HG SER A 18 0.314 -5.241 0.862 1.00 10.44 H new ATOM 310 N GLN A 19 -1.486 -7.260 -1.414 1.00 2.01 N ATOM 311 CA GLN A 19 -1.610 -8.568 -2.082 1.00 63.30 C ATOM 312 C GLN A 19 -2.951 -8.684 -2.818 1.00 64.12 C ATOM 313 O GLN A 19 -2.987 -8.785 -4.062 1.00 13.51 O ATOM 314 CB GLN A 19 -1.481 -9.689 -1.019 1.00 4.54 C ATOM 315 CG GLN A 19 -1.779 -11.116 -1.509 1.00 63.45 C ATOM 316 CD GLN A 19 -1.773 -12.124 -0.367 1.00 31.31 C ATOM 317 OE1 GLN A 19 -0.614 -12.658 -0.058 1.00 61.12 O flip ATOM 318 NE2 GLN A 19 -2.803 -12.397 0.249 1.00 62.22 N flip ATOM 0 H GLN A 19 -1.314 -7.336 -0.412 1.00 2.01 H new ATOM 0 HA GLN A 19 -0.816 -8.668 -2.822 1.00 63.30 H new ATOM 0 HB2 GLN A 19 -0.468 -9.668 -0.617 1.00 4.54 H new ATOM 0 HB3 GLN A 19 -2.156 -9.460 -0.194 1.00 4.54 H new ATOM 0 HG2 GLN A 19 -2.750 -11.134 -2.004 1.00 63.45 H new ATOM 0 HG3 GLN A 19 -1.037 -11.406 -2.253 1.00 63.45 H new ATOM 0 HE21 GLN A 19 -3.687 -11.964 -0.018 1.00 62.22 H new ATOM 0 HE22 GLN A 19 -2.773 -13.057 1.026 1.00 62.22 H new ATOM 327 N SER A 20 -4.040 -8.632 -2.020 1.00 23.43 N ATOM 328 CA SER A 20 -5.424 -8.707 -2.521 1.00 42.13 C ATOM 329 C SER A 20 -5.653 -7.663 -3.623 1.00 73.22 C ATOM 330 O SER A 20 -5.995 -8.018 -4.741 1.00 73.04 O ATOM 331 CB SER A 20 -6.425 -8.499 -1.361 1.00 71.14 C ATOM 332 OG SER A 20 -6.269 -9.500 -0.364 1.00 23.23 O ATOM 0 H SER A 20 -3.980 -8.536 -1.006 1.00 23.43 H new ATOM 0 HA SER A 20 -5.587 -9.697 -2.947 1.00 42.13 H new ATOM 0 HB2 SER A 20 -6.274 -7.514 -0.919 1.00 71.14 H new ATOM 0 HB3 SER A 20 -7.444 -8.522 -1.747 1.00 71.14 H new ATOM 0 HG SER A 20 -5.505 -9.276 0.208 1.00 23.23 H new ATOM 338 N LEU A 21 -5.356 -6.393 -3.287 1.00 4.13 N ATOM 339 CA LEU A 21 -5.550 -5.225 -4.161 1.00 55.15 C ATOM 340 C LEU A 21 -4.771 -5.361 -5.480 1.00 60.23 C ATOM 341 O LEU A 21 -5.255 -4.919 -6.517 1.00 21.44 O ATOM 342 CB LEU A 21 -5.137 -3.919 -3.417 1.00 2.53 C ATOM 343 CG LEU A 21 -6.032 -3.513 -2.199 1.00 32.35 C ATOM 344 CD1 LEU A 21 -5.382 -2.403 -1.344 1.00 35.34 C ATOM 345 CD2 LEU A 21 -7.439 -3.099 -2.666 1.00 2.21 C ATOM 0 H LEU A 21 -4.965 -6.147 -2.378 1.00 4.13 H new ATOM 0 HA LEU A 21 -6.610 -5.173 -4.411 1.00 55.15 H new ATOM 0 HB2 LEU A 21 -4.111 -4.032 -3.067 1.00 2.53 H new ATOM 0 HB3 LEU A 21 -5.140 -3.099 -4.135 1.00 2.53 H new ATOM 0 HG LEU A 21 -6.127 -4.392 -1.562 1.00 32.35 H new ATOM 0 HD11 LEU A 21 -6.039 -2.154 -0.511 1.00 35.34 H new ATOM 0 HD12 LEU A 21 -4.425 -2.754 -0.959 1.00 35.34 H new ATOM 0 HD13 LEU A 21 -5.223 -1.517 -1.958 1.00 35.34 H new ATOM 0 HD21 LEU A 21 -8.042 -2.821 -1.802 1.00 2.21 H new ATOM 0 HD22 LEU A 21 -7.362 -2.248 -3.343 1.00 2.21 H new ATOM 0 HD23 LEU A 21 -7.911 -3.934 -3.184 1.00 2.21 H new ATOM 357 N LEU A 22 -3.563 -5.961 -5.434 1.00 24.34 N ATOM 358 CA LEU A 22 -2.766 -6.197 -6.650 1.00 1.11 C ATOM 359 C LEU A 22 -3.488 -7.190 -7.564 1.00 51.32 C ATOM 360 O LEU A 22 -3.646 -6.931 -8.760 1.00 43.41 O ATOM 361 CB LEU A 22 -1.344 -6.720 -6.334 1.00 14.45 C ATOM 362 CG LEU A 22 -0.495 -7.134 -7.587 1.00 41.42 C ATOM 363 CD1 LEU A 22 -0.355 -5.968 -8.588 1.00 31.53 C ATOM 364 CD2 LEU A 22 0.874 -7.695 -7.179 1.00 2.54 C ATOM 0 H LEU A 22 -3.123 -6.288 -4.574 1.00 24.34 H new ATOM 0 HA LEU A 22 -2.657 -5.236 -7.153 1.00 1.11 H new ATOM 0 HB2 LEU A 22 -0.803 -5.948 -5.786 1.00 14.45 H new ATOM 0 HB3 LEU A 22 -1.429 -7.581 -5.671 1.00 14.45 H new ATOM 0 HG LEU A 22 -1.035 -7.933 -8.095 1.00 41.42 H new ATOM 0 HD11 LEU A 22 0.239 -6.292 -9.443 1.00 31.53 H new ATOM 0 HD12 LEU A 22 -1.344 -5.660 -8.929 1.00 31.53 H new ATOM 0 HD13 LEU A 22 0.139 -5.127 -8.101 1.00 31.53 H new ATOM 0 HD21 LEU A 22 1.435 -7.971 -8.072 1.00 2.54 H new ATOM 0 HD22 LEU A 22 1.427 -6.937 -6.623 1.00 2.54 H new ATOM 0 HD23 LEU A 22 0.734 -8.575 -6.552 1.00 2.54 H new ATOM 376 N GLU A 23 -3.922 -8.319 -6.977 1.00 52.44 N ATOM 377 CA GLU A 23 -4.661 -9.370 -7.707 1.00 64.42 C ATOM 378 C GLU A 23 -5.968 -8.798 -8.300 1.00 75.33 C ATOM 379 O GLU A 23 -6.368 -9.160 -9.407 1.00 33.41 O ATOM 380 CB GLU A 23 -4.950 -10.553 -6.752 1.00 73.12 C ATOM 381 CG GLU A 23 -3.676 -11.193 -6.166 1.00 74.05 C ATOM 382 CD GLU A 23 -3.963 -12.209 -5.056 1.00 34.12 C ATOM 383 OE1 GLU A 23 -4.253 -11.790 -3.916 1.00 31.30 O ATOM 384 OE2 GLU A 23 -3.907 -13.430 -5.313 1.00 51.34 O ATOM 0 H GLU A 23 -3.773 -8.530 -5.990 1.00 52.44 H new ATOM 0 HA GLU A 23 -4.053 -9.732 -8.537 1.00 64.42 H new ATOM 0 HB2 GLU A 23 -5.581 -10.204 -5.935 1.00 73.12 H new ATOM 0 HB3 GLU A 23 -5.516 -11.314 -7.289 1.00 73.12 H new ATOM 0 HG2 GLU A 23 -3.124 -11.686 -6.966 1.00 74.05 H new ATOM 0 HG3 GLU A 23 -3.031 -10.407 -5.772 1.00 74.05 H new ATOM 391 N LEU A 24 -6.578 -7.853 -7.560 1.00 42.32 N ATOM 392 CA LEU A 24 -7.816 -7.167 -7.961 1.00 12.01 C ATOM 393 C LEU A 24 -7.542 -6.130 -9.072 1.00 50.40 C ATOM 394 O LEU A 24 -8.392 -5.904 -9.915 1.00 11.32 O ATOM 395 CB LEU A 24 -8.479 -6.482 -6.736 1.00 73.40 C ATOM 396 CG LEU A 24 -8.912 -7.432 -5.575 1.00 52.23 C ATOM 397 CD1 LEU A 24 -9.449 -6.637 -4.374 1.00 22.11 C ATOM 398 CD2 LEU A 24 -9.925 -8.499 -6.048 1.00 2.44 C ATOM 0 H LEU A 24 -6.219 -7.543 -6.657 1.00 42.32 H new ATOM 0 HA LEU A 24 -8.502 -7.916 -8.358 1.00 12.01 H new ATOM 0 HB2 LEU A 24 -7.783 -5.745 -6.336 1.00 73.40 H new ATOM 0 HB3 LEU A 24 -9.358 -5.937 -7.080 1.00 73.40 H new ATOM 0 HG LEU A 24 -8.020 -7.965 -5.246 1.00 52.23 H new ATOM 0 HD11 LEU A 24 -9.742 -7.327 -3.583 1.00 22.11 H new ATOM 0 HD12 LEU A 24 -8.672 -5.969 -4.003 1.00 22.11 H new ATOM 0 HD13 LEU A 24 -10.314 -6.051 -4.683 1.00 22.11 H new ATOM 0 HD21 LEU A 24 -10.199 -9.138 -5.209 1.00 2.44 H new ATOM 0 HD22 LEU A 24 -10.817 -8.007 -6.436 1.00 2.44 H new ATOM 0 HD23 LEU A 24 -9.474 -9.105 -6.834 1.00 2.44 H new ATOM 410 N ALA A 25 -6.345 -5.515 -9.061 1.00 73.53 N ATOM 411 CA ALA A 25 -5.926 -4.547 -10.095 1.00 44.32 C ATOM 412 C ALA A 25 -5.687 -5.271 -11.430 1.00 30.02 C ATOM 413 O ALA A 25 -6.023 -4.753 -12.498 1.00 45.40 O ATOM 414 CB ALA A 25 -4.664 -3.794 -9.649 1.00 54.44 C ATOM 0 H ALA A 25 -5.643 -5.673 -8.339 1.00 73.53 H new ATOM 0 HA ALA A 25 -6.723 -3.816 -10.235 1.00 44.32 H new ATOM 0 HB1 ALA A 25 -4.370 -3.085 -10.423 1.00 54.44 H new ATOM 0 HB2 ALA A 25 -4.869 -3.256 -8.724 1.00 54.44 H new ATOM 0 HB3 ALA A 25 -3.855 -4.506 -9.483 1.00 54.44 H new ATOM 420 N GLN A 26 -5.113 -6.485 -11.330 1.00 64.54 N ATOM 421 CA GLN A 26 -4.909 -7.393 -12.474 1.00 51.03 C ATOM 422 C GLN A 26 -6.267 -7.903 -13.006 1.00 31.10 C ATOM 423 O GLN A 26 -6.448 -8.068 -14.217 1.00 41.21 O ATOM 424 CB GLN A 26 -4.017 -8.593 -12.060 1.00 13.41 C ATOM 425 CG GLN A 26 -2.595 -8.227 -11.585 1.00 71.05 C ATOM 426 CD GLN A 26 -1.716 -7.573 -12.663 1.00 20.41 C ATOM 427 OE1 GLN A 26 -1.896 -7.803 -13.862 1.00 61.11 O ATOM 428 NE2 GLN A 26 -0.717 -6.798 -12.247 1.00 64.34 N ATOM 0 H GLN A 26 -4.775 -6.866 -10.446 1.00 64.54 H new ATOM 0 HA GLN A 26 -4.407 -6.839 -13.267 1.00 51.03 H new ATOM 0 HB2 GLN A 26 -4.519 -9.139 -11.261 1.00 13.41 H new ATOM 0 HB3 GLN A 26 -3.935 -9.273 -12.908 1.00 13.41 H new ATOM 0 HG2 GLN A 26 -2.672 -7.549 -10.735 1.00 71.05 H new ATOM 0 HG3 GLN A 26 -2.100 -9.130 -11.228 1.00 71.05 H new ATOM 0 HE21 GLN A 26 -0.589 -6.623 -11.250 1.00 64.34 H new ATOM 0 HE22 GLN A 26 -0.080 -6.380 -12.925 1.00 64.34 H new ATOM 437 N ARG A 27 -7.212 -8.148 -12.072 1.00 45.15 N ATOM 438 CA ARG A 27 -8.587 -8.581 -12.399 1.00 11.51 C ATOM 439 C ARG A 27 -9.438 -7.427 -12.969 1.00 12.12 C ATOM 440 O ARG A 27 -10.404 -7.672 -13.703 1.00 15.30 O ATOM 441 CB ARG A 27 -9.289 -9.163 -11.140 1.00 31.43 C ATOM 442 CG ARG A 27 -8.879 -10.598 -10.754 1.00 11.52 C ATOM 443 CD ARG A 27 -9.688 -11.126 -9.552 1.00 4.55 C ATOM 444 NE ARG A 27 -11.144 -10.923 -9.744 1.00 72.44 N ATOM 445 CZ ARG A 27 -12.083 -11.882 -9.779 1.00 34.33 C ATOM 446 NH1 ARG A 27 -11.764 -13.166 -9.647 1.00 43.42 N ATOM 447 NH2 ARG A 27 -13.352 -11.538 -9.954 1.00 31.52 N ATOM 0 H ARG A 27 -7.042 -8.051 -11.071 1.00 45.15 H new ATOM 0 HA ARG A 27 -8.503 -9.352 -13.165 1.00 11.51 H new ATOM 0 HB2 ARG A 27 -9.084 -8.506 -10.295 1.00 31.43 H new ATOM 0 HB3 ARG A 27 -10.366 -9.144 -11.305 1.00 31.43 H new ATOM 0 HG2 ARG A 27 -9.025 -11.259 -11.608 1.00 11.52 H new ATOM 0 HG3 ARG A 27 -7.816 -10.619 -10.513 1.00 11.52 H new ATOM 0 HD2 ARG A 27 -9.483 -12.187 -9.413 1.00 4.55 H new ATOM 0 HD3 ARG A 27 -9.366 -10.617 -8.644 1.00 4.55 H new ATOM 0 HE ARG A 27 -11.463 -9.961 -9.861 1.00 72.44 H new ATOM 0 HH11 ARG A 27 -10.790 -13.439 -9.516 1.00 43.42 H new ATOM 0 HH12 ARG A 27 -12.493 -13.878 -9.677 1.00 43.42 H new ATOM 0 HH21 ARG A 27 -13.604 -10.555 -10.060 1.00 31.52 H new ATOM 0 HH22 ARG A 27 -14.076 -12.256 -9.983 1.00 31.52 H new ATOM 461 N GLY A 28 -9.076 -6.185 -12.623 1.00 72.32 N ATOM 462 CA GLY A 28 -9.854 -5.010 -13.005 1.00 14.51 C ATOM 463 C GLY A 28 -11.027 -4.735 -12.069 1.00 72.20 C ATOM 464 O GLY A 28 -12.008 -4.101 -12.467 1.00 4.13 O ATOM 0 H GLY A 28 -8.242 -5.972 -12.075 1.00 72.32 H new ATOM 0 HA2 GLY A 28 -9.199 -4.139 -13.022 1.00 14.51 H new ATOM 0 HA3 GLY A 28 -10.231 -5.146 -14.019 1.00 14.51 H new ATOM 468 N GLU A 29 -10.921 -5.222 -10.821 1.00 41.11 N ATOM 469 CA GLU A 29 -11.881 -4.923 -9.742 1.00 71.04 C ATOM 470 C GLU A 29 -11.622 -3.507 -9.172 1.00 41.41 C ATOM 471 O GLU A 29 -11.194 -3.361 -8.017 1.00 54.43 O ATOM 472 CB GLU A 29 -11.784 -5.986 -8.606 1.00 75.31 C ATOM 473 CG GLU A 29 -11.817 -7.460 -9.055 1.00 72.44 C ATOM 474 CD GLU A 29 -13.096 -7.884 -9.794 1.00 61.51 C ATOM 475 OE1 GLU A 29 -12.993 -8.614 -10.810 1.00 15.23 O ATOM 476 OE2 GLU A 29 -14.210 -7.501 -9.363 1.00 12.12 O ATOM 0 H GLU A 29 -10.162 -5.838 -10.530 1.00 41.11 H new ATOM 0 HA GLU A 29 -12.887 -4.957 -10.160 1.00 71.04 H new ATOM 0 HB2 GLU A 29 -10.860 -5.816 -8.054 1.00 75.31 H new ATOM 0 HB3 GLU A 29 -12.606 -5.821 -7.910 1.00 75.31 H new ATOM 0 HG2 GLU A 29 -10.961 -7.646 -9.704 1.00 72.44 H new ATOM 0 HG3 GLU A 29 -11.695 -8.095 -8.177 1.00 72.44 H new ATOM 483 N TRP A 30 -11.891 -2.473 -9.993 1.00 4.44 N ATOM 484 CA TRP A 30 -11.566 -1.066 -9.658 1.00 53.02 C ATOM 485 C TRP A 30 -12.407 -0.579 -8.458 1.00 33.51 C ATOM 486 O TRP A 30 -11.949 0.251 -7.675 1.00 61.44 O ATOM 487 CB TRP A 30 -11.786 -0.131 -10.890 1.00 34.42 C ATOM 488 CG TRP A 30 -11.213 -0.659 -12.197 1.00 0.12 C ATOM 489 CD1 TRP A 30 -11.913 -0.941 -13.343 1.00 34.33 C ATOM 490 CD2 TRP A 30 -9.837 -0.990 -12.487 1.00 33.24 C ATOM 491 NE1 TRP A 30 -11.066 -1.419 -14.310 1.00 4.30 N ATOM 492 CE2 TRP A 30 -9.791 -1.460 -13.810 1.00 44.11 C ATOM 493 CE3 TRP A 30 -8.645 -0.937 -11.760 1.00 5.33 C ATOM 494 CZ2 TRP A 30 -8.605 -1.873 -14.417 1.00 61.42 C ATOM 495 CZ3 TRP A 30 -7.469 -1.346 -12.360 1.00 23.50 C ATOM 496 CH2 TRP A 30 -7.457 -1.811 -13.678 1.00 21.01 C ATOM 0 H TRP A 30 -12.337 -2.585 -10.903 1.00 4.44 H new ATOM 0 HA TRP A 30 -10.512 -1.025 -9.381 1.00 53.02 H new ATOM 0 HB2 TRP A 30 -12.856 0.034 -11.018 1.00 34.42 H new ATOM 0 HB3 TRP A 30 -11.337 0.839 -10.678 1.00 34.42 H new ATOM 0 HD1 TRP A 30 -12.977 -0.806 -13.466 1.00 34.33 H new ATOM 0 HE1 TRP A 30 -11.341 -1.699 -15.251 1.00 4.30 H new ATOM 0 HE3 TRP A 30 -8.643 -0.580 -10.741 1.00 5.33 H new ATOM 0 HZ2 TRP A 30 -8.594 -2.230 -15.436 1.00 61.42 H new ATOM 0 HZ3 TRP A 30 -6.545 -1.306 -11.802 1.00 23.50 H new ATOM 0 HH2 TRP A 30 -6.524 -2.127 -14.120 1.00 21.01 H new ATOM 507 N ASP A 31 -13.629 -1.137 -8.326 1.00 25.34 N ATOM 508 CA ASP A 31 -14.568 -0.806 -7.238 1.00 64.01 C ATOM 509 C ASP A 31 -14.045 -1.336 -5.887 1.00 22.32 C ATOM 510 O ASP A 31 -14.139 -0.637 -4.873 1.00 21.13 O ATOM 511 CB ASP A 31 -15.979 -1.379 -7.539 1.00 60.12 C ATOM 512 CG ASP A 31 -17.036 -0.969 -6.492 1.00 1.12 C ATOM 513 OD1 ASP A 31 -17.645 0.112 -6.637 1.00 70.32 O ATOM 514 OD2 ASP A 31 -17.246 -1.708 -5.509 1.00 24.15 O ATOM 0 H ASP A 31 -13.992 -1.834 -8.976 1.00 25.34 H new ATOM 0 HA ASP A 31 -14.645 0.279 -7.173 1.00 64.01 H new ATOM 0 HB2 ASP A 31 -16.300 -1.038 -8.523 1.00 60.12 H new ATOM 0 HB3 ASP A 31 -15.921 -2.467 -7.581 1.00 60.12 H new ATOM 519 N LEU A 32 -13.498 -2.580 -5.885 1.00 54.12 N ATOM 520 CA LEU A 32 -12.893 -3.192 -4.677 1.00 34.34 C ATOM 521 C LEU A 32 -11.603 -2.454 -4.276 1.00 1.12 C ATOM 522 O LEU A 32 -11.269 -2.383 -3.087 1.00 54.32 O ATOM 523 CB LEU A 32 -12.595 -4.705 -4.882 1.00 32.41 C ATOM 524 CG LEU A 32 -13.827 -5.651 -5.010 1.00 14.52 C ATOM 525 CD1 LEU A 32 -13.384 -7.118 -5.198 1.00 73.24 C ATOM 526 CD2 LEU A 32 -14.775 -5.506 -3.800 1.00 4.34 C ATOM 0 H LEU A 32 -13.465 -3.178 -6.710 1.00 54.12 H new ATOM 0 HA LEU A 32 -13.622 -3.098 -3.872 1.00 34.34 H new ATOM 0 HB2 LEU A 32 -11.988 -4.813 -5.781 1.00 32.41 H new ATOM 0 HB3 LEU A 32 -11.988 -5.049 -4.044 1.00 32.41 H new ATOM 0 HG LEU A 32 -14.381 -5.353 -5.900 1.00 14.52 H new ATOM 0 HD11 LEU A 32 -14.264 -7.756 -5.284 1.00 73.24 H new ATOM 0 HD12 LEU A 32 -12.783 -7.204 -6.104 1.00 73.24 H new ATOM 0 HD13 LEU A 32 -12.791 -7.432 -4.339 1.00 73.24 H new ATOM 0 HD21 LEU A 32 -15.624 -6.179 -3.920 1.00 4.34 H new ATOM 0 HD22 LEU A 32 -14.239 -5.758 -2.885 1.00 4.34 H new ATOM 0 HD23 LEU A 32 -15.133 -4.478 -3.739 1.00 4.34 H new ATOM 538 N LEU A 33 -10.878 -1.929 -5.287 1.00 13.43 N ATOM 539 CA LEU A 33 -9.701 -1.074 -5.060 1.00 73.04 C ATOM 540 C LEU A 33 -10.111 0.207 -4.332 1.00 51.43 C ATOM 541 O LEU A 33 -9.488 0.566 -3.350 1.00 2.13 O ATOM 542 CB LEU A 33 -8.979 -0.720 -6.385 1.00 62.23 C ATOM 543 CG LEU A 33 -8.386 -1.919 -7.180 1.00 54.01 C ATOM 544 CD1 LEU A 33 -7.596 -1.440 -8.404 1.00 34.24 C ATOM 545 CD2 LEU A 33 -7.520 -2.813 -6.284 1.00 40.34 C ATOM 0 H LEU A 33 -11.092 -2.086 -6.272 1.00 13.43 H new ATOM 0 HA LEU A 33 -9.003 -1.637 -4.441 1.00 73.04 H new ATOM 0 HB2 LEU A 33 -9.683 -0.195 -7.030 1.00 62.23 H new ATOM 0 HB3 LEU A 33 -8.171 -0.023 -6.161 1.00 62.23 H new ATOM 0 HG LEU A 33 -9.224 -2.518 -7.536 1.00 54.01 H new ATOM 0 HD11 LEU A 33 -7.195 -2.301 -8.938 1.00 34.24 H new ATOM 0 HD12 LEU A 33 -8.255 -0.878 -9.065 1.00 34.24 H new ATOM 0 HD13 LEU A 33 -6.776 -0.800 -8.080 1.00 34.24 H new ATOM 0 HD21 LEU A 33 -7.122 -3.640 -6.871 1.00 40.34 H new ATOM 0 HD22 LEU A 33 -6.696 -2.229 -5.875 1.00 40.34 H new ATOM 0 HD23 LEU A 33 -8.126 -3.206 -5.468 1.00 40.34 H new ATOM 557 N LEU A 34 -11.189 0.853 -4.823 1.00 31.34 N ATOM 558 CA LEU A 34 -11.739 2.097 -4.241 1.00 3.44 C ATOM 559 C LEU A 34 -12.283 1.870 -2.820 1.00 34.42 C ATOM 560 O LEU A 34 -12.124 2.724 -1.953 1.00 50.34 O ATOM 561 CB LEU A 34 -12.863 2.653 -5.148 1.00 21.03 C ATOM 562 CG LEU A 34 -12.406 3.205 -6.528 1.00 53.33 C ATOM 563 CD1 LEU A 34 -13.608 3.457 -7.457 1.00 54.31 C ATOM 564 CD2 LEU A 34 -11.547 4.477 -6.354 1.00 21.42 C ATOM 0 H LEU A 34 -11.706 0.525 -5.639 1.00 31.34 H new ATOM 0 HA LEU A 34 -10.926 2.820 -4.177 1.00 3.44 H new ATOM 0 HB2 LEU A 34 -13.592 1.861 -5.318 1.00 21.03 H new ATOM 0 HB3 LEU A 34 -13.377 3.450 -4.611 1.00 21.03 H new ATOM 0 HG LEU A 34 -11.784 2.447 -7.004 1.00 53.33 H new ATOM 0 HD11 LEU A 34 -13.254 3.842 -8.413 1.00 54.31 H new ATOM 0 HD12 LEU A 34 -14.145 2.522 -7.619 1.00 54.31 H new ATOM 0 HD13 LEU A 34 -14.277 4.185 -6.997 1.00 54.31 H new ATOM 0 HD21 LEU A 34 -11.239 4.845 -7.333 1.00 21.42 H new ATOM 0 HD22 LEU A 34 -12.131 5.244 -5.846 1.00 21.42 H new ATOM 0 HD23 LEU A 34 -10.664 4.241 -5.761 1.00 21.42 H new ATOM 576 N GLN A 35 -12.916 0.710 -2.601 1.00 54.34 N ATOM 577 CA GLN A 35 -13.504 0.345 -1.302 1.00 61.41 C ATOM 578 C GLN A 35 -12.401 0.262 -0.228 1.00 31.25 C ATOM 579 O GLN A 35 -12.419 0.976 0.781 1.00 60.23 O ATOM 580 CB GLN A 35 -14.248 -1.016 -1.435 1.00 71.51 C ATOM 581 CG GLN A 35 -14.870 -1.563 -0.131 1.00 11.43 C ATOM 582 CD GLN A 35 -15.951 -0.647 0.454 1.00 61.42 C ATOM 583 OE1 GLN A 35 -15.673 0.224 1.278 1.00 21.35 O ATOM 584 NE2 GLN A 35 -17.185 -0.825 0.010 1.00 33.05 N ATOM 0 H GLN A 35 -13.036 -0.004 -3.320 1.00 54.34 H new ATOM 0 HA GLN A 35 -14.219 1.109 -0.997 1.00 61.41 H new ATOM 0 HB2 GLN A 35 -15.039 -0.907 -2.177 1.00 71.51 H new ATOM 0 HB3 GLN A 35 -13.548 -1.757 -1.822 1.00 71.51 H new ATOM 0 HG2 GLN A 35 -15.302 -2.545 -0.326 1.00 11.43 H new ATOM 0 HG3 GLN A 35 -14.082 -1.703 0.609 1.00 11.43 H new ATOM 0 HE21 GLN A 35 -17.381 -1.557 -0.673 1.00 33.05 H new ATOM 0 HE22 GLN A 35 -17.940 -0.231 0.351 1.00 33.05 H new ATOM 593 N GLN A 36 -11.412 -0.579 -0.524 1.00 0.02 N ATOM 594 CA GLN A 36 -10.309 -0.930 0.383 1.00 44.12 C ATOM 595 C GLN A 36 -9.168 0.114 0.341 1.00 21.44 C ATOM 596 O GLN A 36 -8.231 0.033 1.141 1.00 44.35 O ATOM 597 CB GLN A 36 -9.827 -2.357 0.036 1.00 71.04 C ATOM 598 CG GLN A 36 -10.907 -3.442 0.284 1.00 11.42 C ATOM 599 CD GLN A 36 -10.640 -4.789 -0.393 1.00 44.24 C ATOM 600 OE1 GLN A 36 -10.155 -4.766 -1.624 1.00 40.05 O flip ATOM 601 NE2 GLN A 36 -10.948 -5.844 0.159 1.00 72.14 N flip ATOM 0 H GLN A 36 -11.350 -1.051 -1.426 1.00 0.02 H new ATOM 0 HA GLN A 36 -10.664 -0.918 1.413 1.00 44.12 H new ATOM 0 HB2 GLN A 36 -9.524 -2.387 -1.011 1.00 71.04 H new ATOM 0 HB3 GLN A 36 -8.943 -2.590 0.630 1.00 71.04 H new ATOM 0 HG2 GLN A 36 -10.997 -3.604 1.358 1.00 11.42 H new ATOM 0 HG3 GLN A 36 -11.868 -3.062 -0.063 1.00 11.42 H new ATOM 0 HE21 GLN A 36 -11.320 -5.833 1.109 1.00 72.14 H new ATOM 0 HE22 GLN A 36 -10.832 -6.730 -0.333 1.00 72.14 H new ATOM 610 N GLU A 37 -9.243 1.044 -0.646 1.00 40.43 N ATOM 611 CA GLU A 37 -8.325 2.204 -0.795 1.00 33.40 C ATOM 612 C GLU A 37 -8.121 2.918 0.543 1.00 42.33 C ATOM 613 O GLU A 37 -6.976 3.108 0.982 1.00 62.22 O ATOM 614 CB GLU A 37 -8.893 3.183 -1.886 1.00 15.30 C ATOM 615 CG GLU A 37 -8.161 4.542 -2.074 1.00 22.13 C ATOM 616 CD GLU A 37 -8.815 5.710 -1.312 1.00 4.15 C ATOM 617 OE1 GLU A 37 -8.396 6.023 -0.180 1.00 44.13 O ATOM 618 OE2 GLU A 37 -9.764 6.317 -1.839 1.00 61.41 O ATOM 0 H GLU A 37 -9.956 1.008 -1.374 1.00 40.43 H new ATOM 0 HA GLU A 37 -7.348 1.847 -1.119 1.00 33.40 H new ATOM 0 HB2 GLU A 37 -8.887 2.661 -2.843 1.00 15.30 H new ATOM 0 HB3 GLU A 37 -9.935 3.392 -1.643 1.00 15.30 H new ATOM 0 HG2 GLU A 37 -7.128 4.437 -1.742 1.00 22.13 H new ATOM 0 HG3 GLU A 37 -8.131 4.784 -3.136 1.00 22.13 H new ATOM 625 N VAL A 38 -9.260 3.284 1.182 1.00 64.52 N ATOM 626 CA VAL A 38 -9.288 3.947 2.496 1.00 33.34 C ATOM 627 C VAL A 38 -8.457 3.140 3.497 1.00 13.35 C ATOM 628 O VAL A 38 -7.416 3.608 3.957 1.00 15.14 O ATOM 629 CB VAL A 38 -10.765 4.117 3.037 1.00 23.43 C ATOM 630 CG1 VAL A 38 -10.791 4.802 4.429 1.00 24.35 C ATOM 631 CG2 VAL A 38 -11.637 4.895 2.025 1.00 52.33 C ATOM 0 H VAL A 38 -10.188 3.123 0.791 1.00 64.52 H new ATOM 0 HA VAL A 38 -8.862 4.943 2.378 1.00 33.34 H new ATOM 0 HB VAL A 38 -11.186 3.118 3.156 1.00 23.43 H new ATOM 0 HG11 VAL A 38 -11.823 4.901 4.767 1.00 24.35 H new ATOM 0 HG12 VAL A 38 -10.232 4.197 5.143 1.00 24.35 H new ATOM 0 HG13 VAL A 38 -10.337 5.790 4.357 1.00 24.35 H new ATOM 0 HG21 VAL A 38 -12.648 4.999 2.420 1.00 52.33 H new ATOM 0 HG22 VAL A 38 -11.209 5.884 1.860 1.00 52.33 H new ATOM 0 HG23 VAL A 38 -11.670 4.352 1.081 1.00 52.33 H new ATOM 641 N SER A 39 -8.898 1.888 3.718 1.00 75.14 N ATOM 642 CA SER A 39 -8.315 0.958 4.696 1.00 75.45 C ATOM 643 C SER A 39 -6.787 0.845 4.545 1.00 51.05 C ATOM 644 O SER A 39 -6.054 0.910 5.536 1.00 44.32 O ATOM 645 CB SER A 39 -8.970 -0.429 4.510 1.00 62.02 C ATOM 646 OG SER A 39 -10.383 -0.340 4.575 1.00 33.03 O ATOM 0 H SER A 39 -9.687 1.488 3.209 1.00 75.14 H new ATOM 0 HA SER A 39 -8.510 1.342 5.697 1.00 75.45 H new ATOM 0 HB2 SER A 39 -8.673 -0.849 3.549 1.00 62.02 H new ATOM 0 HB3 SER A 39 -8.610 -1.111 5.280 1.00 62.02 H new ATOM 0 HG SER A 39 -10.773 -1.231 4.453 1.00 33.03 H new ATOM 652 N TYR A 40 -6.334 0.747 3.278 1.00 14.35 N ATOM 653 CA TYR A 40 -4.926 0.538 2.939 1.00 52.13 C ATOM 654 C TYR A 40 -4.092 1.779 3.281 1.00 70.45 C ATOM 655 O TYR A 40 -3.047 1.660 3.921 1.00 71.12 O ATOM 656 CB TYR A 40 -4.780 0.173 1.439 1.00 2.25 C ATOM 657 CG TYR A 40 -3.344 -0.186 1.011 1.00 21.13 C ATOM 658 CD1 TYR A 40 -2.690 0.489 -0.020 1.00 34.32 C ATOM 659 CD2 TYR A 40 -2.652 -1.213 1.648 1.00 53.33 C ATOM 660 CE1 TYR A 40 -1.407 0.153 -0.394 1.00 44.22 C ATOM 661 CE2 TYR A 40 -1.371 -1.547 1.279 1.00 71.42 C ATOM 662 CZ TYR A 40 -0.751 -0.864 0.260 1.00 54.31 C ATOM 663 OH TYR A 40 0.532 -1.199 -0.103 1.00 4.02 O ATOM 0 H TYR A 40 -6.944 0.812 2.463 1.00 14.35 H new ATOM 0 HA TYR A 40 -4.549 -0.294 3.534 1.00 52.13 H new ATOM 0 HB2 TYR A 40 -5.434 -0.670 1.217 1.00 2.25 H new ATOM 0 HB3 TYR A 40 -5.127 1.013 0.837 1.00 2.25 H new ATOM 0 HD1 TYR A 40 -3.199 1.290 -0.535 1.00 34.32 H new ATOM 0 HD2 TYR A 40 -3.132 -1.758 2.448 1.00 53.33 H new ATOM 0 HE1 TYR A 40 -0.919 0.686 -1.197 1.00 44.22 H new ATOM 0 HE2 TYR A 40 -0.852 -2.345 1.789 1.00 71.42 H new ATOM 0 HH TYR A 40 0.899 -1.837 0.544 1.00 4.02 H new ATOM 673 N LEU A 41 -4.584 2.970 2.875 1.00 43.12 N ATOM 674 CA LEU A 41 -3.846 4.240 3.060 1.00 5.15 C ATOM 675 C LEU A 41 -3.819 4.682 4.537 1.00 11.13 C ATOM 676 O LEU A 41 -2.876 5.355 4.964 1.00 1.13 O ATOM 677 CB LEU A 41 -4.441 5.363 2.174 1.00 42.55 C ATOM 678 CG LEU A 41 -4.440 5.098 0.639 1.00 23.21 C ATOM 679 CD1 LEU A 41 -4.990 6.310 -0.122 1.00 24.12 C ATOM 680 CD2 LEU A 41 -3.041 4.693 0.120 1.00 22.30 C ATOM 0 H LEU A 41 -5.489 3.079 2.417 1.00 43.12 H new ATOM 0 HA LEU A 41 -2.817 4.057 2.750 1.00 5.15 H new ATOM 0 HB2 LEU A 41 -5.469 5.542 2.491 1.00 42.55 H new ATOM 0 HB3 LEU A 41 -3.885 6.281 2.364 1.00 42.55 H new ATOM 0 HG LEU A 41 -5.101 4.251 0.453 1.00 23.21 H new ATOM 0 HD11 LEU A 41 -4.980 6.103 -1.192 1.00 24.12 H new ATOM 0 HD12 LEU A 41 -6.012 6.508 0.200 1.00 24.12 H new ATOM 0 HD13 LEU A 41 -4.369 7.182 0.085 1.00 24.12 H new ATOM 0 HD21 LEU A 41 -3.088 4.518 -0.955 1.00 22.30 H new ATOM 0 HD22 LEU A 41 -2.331 5.493 0.327 1.00 22.30 H new ATOM 0 HD23 LEU A 41 -2.717 3.781 0.622 1.00 22.30 H new ATOM 692 N GLN A 42 -4.862 4.305 5.301 1.00 0.45 N ATOM 693 CA GLN A 42 -4.953 4.610 6.741 1.00 11.13 C ATOM 694 C GLN A 42 -4.033 3.664 7.542 1.00 50.35 C ATOM 695 O GLN A 42 -3.459 4.076 8.553 1.00 63.44 O ATOM 696 CB GLN A 42 -6.423 4.517 7.245 1.00 41.13 C ATOM 697 CG GLN A 42 -7.442 5.387 6.463 1.00 54.32 C ATOM 698 CD GLN A 42 -7.157 6.891 6.465 1.00 1.21 C ATOM 699 OE1 GLN A 42 -7.411 7.580 5.476 1.00 54.34 O ATOM 700 NE2 GLN A 42 -6.702 7.429 7.581 1.00 52.13 N ATOM 0 H GLN A 42 -5.661 3.783 4.940 1.00 0.45 H new ATOM 0 HA GLN A 42 -4.619 5.636 6.897 1.00 11.13 H new ATOM 0 HB2 GLN A 42 -6.743 3.476 7.195 1.00 41.13 H new ATOM 0 HB3 GLN A 42 -6.450 4.808 8.295 1.00 41.13 H new ATOM 0 HG2 GLN A 42 -7.472 5.041 5.430 1.00 54.32 H new ATOM 0 HG3 GLN A 42 -8.434 5.222 6.884 1.00 54.32 H new ATOM 0 HE21 GLN A 42 -6.499 6.837 8.387 1.00 52.13 H new ATOM 0 HE22 GLN A 42 -6.553 8.437 7.638 1.00 52.13 H new ATOM 709 N SER A 43 -3.907 2.393 7.077 1.00 21.43 N ATOM 710 CA SER A 43 -2.951 1.417 7.647 1.00 24.44 C ATOM 711 C SER A 43 -1.496 1.888 7.411 1.00 61.21 C ATOM 712 O SER A 43 -0.649 1.822 8.317 1.00 32.33 O ATOM 713 CB SER A 43 -3.173 0.018 7.023 1.00 0.42 C ATOM 714 OG SER A 43 -4.467 -0.484 7.305 1.00 31.12 O ATOM 0 H SER A 43 -4.461 2.023 6.305 1.00 21.43 H new ATOM 0 HA SER A 43 -3.123 1.349 8.721 1.00 24.44 H new ATOM 0 HB2 SER A 43 -3.032 0.075 5.944 1.00 0.42 H new ATOM 0 HB3 SER A 43 -2.423 -0.674 7.406 1.00 0.42 H new ATOM 0 HG SER A 43 -5.122 -0.046 6.722 1.00 31.12 H new ATOM 720 N ILE A 44 -1.242 2.370 6.175 1.00 41.35 N ATOM 721 CA ILE A 44 0.036 2.986 5.758 1.00 12.11 C ATOM 722 C ILE A 44 0.397 4.158 6.681 1.00 32.43 C ATOM 723 O ILE A 44 1.522 4.235 7.203 1.00 22.22 O ATOM 724 CB ILE A 44 -0.065 3.475 4.249 1.00 23.30 C ATOM 725 CG1 ILE A 44 0.070 2.263 3.268 1.00 33.45 C ATOM 726 CG2 ILE A 44 0.939 4.607 3.901 1.00 51.31 C ATOM 727 CD1 ILE A 44 -0.078 2.608 1.793 1.00 4.24 C ATOM 0 H ILE A 44 -1.933 2.341 5.425 1.00 41.35 H new ATOM 0 HA ILE A 44 0.826 2.239 5.833 1.00 12.11 H new ATOM 0 HB ILE A 44 -1.055 3.914 4.127 1.00 23.30 H new ATOM 0 HG12 ILE A 44 1.044 1.798 3.421 1.00 33.45 H new ATOM 0 HG13 ILE A 44 -0.683 1.519 3.529 1.00 33.45 H new ATOM 0 HG21 ILE A 44 0.817 4.893 2.856 1.00 51.31 H new ATOM 0 HG22 ILE A 44 0.749 5.470 4.539 1.00 51.31 H new ATOM 0 HG23 ILE A 44 1.957 4.253 4.063 1.00 51.31 H new ATOM 0 HD11 ILE A 44 0.031 1.703 1.195 1.00 4.24 H new ATOM 0 HD12 ILE A 44 -1.062 3.042 1.618 1.00 4.24 H new ATOM 0 HD13 ILE A 44 0.691 3.326 1.508 1.00 4.24 H new ATOM 739 N GLU A 45 -0.587 5.051 6.880 1.00 40.52 N ATOM 740 CA GLU A 45 -0.424 6.255 7.693 1.00 10.25 C ATOM 741 C GLU A 45 -0.046 5.879 9.139 1.00 51.42 C ATOM 742 O GLU A 45 1.019 6.276 9.626 1.00 14.22 O ATOM 743 CB GLU A 45 -1.721 7.107 7.664 1.00 64.02 C ATOM 744 CG GLU A 45 -1.618 8.452 8.413 1.00 55.31 C ATOM 745 CD GLU A 45 -0.523 9.374 7.841 1.00 13.02 C ATOM 746 OE1 GLU A 45 -0.718 9.923 6.738 1.00 44.34 O ATOM 747 OE2 GLU A 45 0.540 9.551 8.479 1.00 52.40 O ATOM 0 H GLU A 45 -1.519 4.952 6.477 1.00 40.52 H new ATOM 0 HA GLU A 45 0.385 6.853 7.274 1.00 10.25 H new ATOM 0 HB2 GLU A 45 -1.989 7.303 6.626 1.00 64.02 H new ATOM 0 HB3 GLU A 45 -2.533 6.525 8.099 1.00 64.02 H new ATOM 0 HG2 GLU A 45 -2.579 8.964 8.364 1.00 55.31 H new ATOM 0 HG3 GLU A 45 -1.412 8.261 9.466 1.00 55.31 H new ATOM 754 N THR A 46 -0.894 5.039 9.769 1.00 4.33 N ATOM 755 CA THR A 46 -0.759 4.682 11.183 1.00 71.13 C ATOM 756 C THR A 46 0.551 3.908 11.453 1.00 73.31 C ATOM 757 O THR A 46 1.126 4.045 12.538 1.00 45.12 O ATOM 758 CB THR A 46 -2.010 3.890 11.714 1.00 45.55 C ATOM 759 OG1 THR A 46 -2.013 3.873 13.149 1.00 21.12 O ATOM 760 CG2 THR A 46 -2.085 2.439 11.195 1.00 13.13 C ATOM 0 H THR A 46 -1.687 4.594 9.307 1.00 4.33 H new ATOM 0 HA THR A 46 -0.710 5.617 11.740 1.00 71.13 H new ATOM 0 HB THR A 46 -2.884 4.417 11.331 1.00 45.55 H new ATOM 0 HG1 THR A 46 -2.797 3.379 13.469 1.00 21.12 H new ATOM 0 HG21 THR A 46 -2.972 1.953 11.601 1.00 13.13 H new ATOM 0 HG22 THR A 46 -2.140 2.444 10.106 1.00 13.13 H new ATOM 0 HG23 THR A 46 -1.196 1.893 11.510 1.00 13.13 H new ATOM 768 N VAL A 47 1.036 3.119 10.453 1.00 22.14 N ATOM 769 CA VAL A 47 2.288 2.351 10.613 1.00 34.54 C ATOM 770 C VAL A 47 3.509 3.282 10.500 1.00 34.43 C ATOM 771 O VAL A 47 4.483 3.135 11.250 1.00 42.01 O ATOM 772 CB VAL A 47 2.420 1.127 9.614 1.00 71.25 C ATOM 773 CG1 VAL A 47 2.958 1.525 8.211 1.00 72.11 C ATOM 774 CG2 VAL A 47 3.284 0.007 10.240 1.00 14.43 C ATOM 0 H VAL A 47 0.583 3.004 9.546 1.00 22.14 H new ATOM 0 HA VAL A 47 2.252 1.917 11.612 1.00 34.54 H new ATOM 0 HB VAL A 47 1.409 0.753 9.451 1.00 71.25 H new ATOM 0 HG11 VAL A 47 3.022 0.638 7.581 1.00 72.11 H new ATOM 0 HG12 VAL A 47 2.282 2.247 7.753 1.00 72.11 H new ATOM 0 HG13 VAL A 47 3.948 1.969 8.314 1.00 72.11 H new ATOM 0 HG21 VAL A 47 3.364 -0.825 9.540 1.00 14.43 H new ATOM 0 HG22 VAL A 47 4.279 0.394 10.458 1.00 14.43 H new ATOM 0 HG23 VAL A 47 2.819 -0.339 11.163 1.00 14.43 H new ATOM 784 N MET A 48 3.431 4.260 9.571 1.00 44.25 N ATOM 785 CA MET A 48 4.532 5.198 9.295 1.00 3.15 C ATOM 786 C MET A 48 4.580 6.317 10.359 1.00 41.30 C ATOM 787 O MET A 48 5.547 7.073 10.430 1.00 54.45 O ATOM 788 CB MET A 48 4.389 5.764 7.857 1.00 21.11 C ATOM 789 CG MET A 48 5.546 6.667 7.390 1.00 4.34 C ATOM 790 SD MET A 48 5.562 6.933 5.608 1.00 1.54 S ATOM 791 CE MET A 48 6.004 5.301 5.022 1.00 24.42 C ATOM 0 H MET A 48 2.604 4.418 8.995 1.00 44.25 H new ATOM 0 HA MET A 48 5.482 4.667 9.354 1.00 3.15 H new ATOM 0 HB2 MET A 48 4.298 4.929 7.162 1.00 21.11 H new ATOM 0 HB3 MET A 48 3.460 6.331 7.798 1.00 21.11 H new ATOM 0 HG2 MET A 48 5.473 7.631 7.894 1.00 4.34 H new ATOM 0 HG3 MET A 48 6.493 6.220 7.693 1.00 4.34 H new ATOM 0 HE1 MET A 48 6.462 5.380 4.036 1.00 24.42 H new ATOM 0 HE2 MET A 48 6.711 4.845 5.715 1.00 24.42 H new ATOM 0 HE3 MET A 48 5.109 4.683 4.958 1.00 24.42 H new ATOM 801 N GLU A 49 3.517 6.427 11.176 1.00 14.14 N ATOM 802 CA GLU A 49 3.513 7.318 12.351 1.00 22.23 C ATOM 803 C GLU A 49 4.294 6.709 13.547 1.00 72.40 C ATOM 804 O GLU A 49 4.947 7.446 14.293 1.00 31.02 O ATOM 805 CB GLU A 49 2.060 7.660 12.773 1.00 4.31 C ATOM 806 CG GLU A 49 1.305 8.581 11.802 1.00 61.41 C ATOM 807 CD GLU A 49 -0.150 8.820 12.228 1.00 11.44 C ATOM 808 OE1 GLU A 49 -0.976 7.903 12.087 1.00 60.40 O ATOM 809 OE2 GLU A 49 -0.478 9.925 12.713 1.00 14.23 O ATOM 0 H GLU A 49 2.648 5.909 11.044 1.00 14.14 H new ATOM 0 HA GLU A 49 4.023 8.236 12.060 1.00 22.23 H new ATOM 0 HB2 GLU A 49 1.500 6.731 12.880 1.00 4.31 H new ATOM 0 HB3 GLU A 49 2.084 8.133 13.755 1.00 4.31 H new ATOM 0 HG2 GLU A 49 1.823 9.538 11.737 1.00 61.41 H new ATOM 0 HG3 GLU A 49 1.320 8.142 10.804 1.00 61.41 H new ATOM 816 N LYS A 50 4.238 5.362 13.717 1.00 24.43 N ATOM 817 CA LYS A 50 4.857 4.674 14.886 1.00 44.42 C ATOM 818 C LYS A 50 5.894 3.641 14.399 1.00 64.31 C ATOM 819 O LYS A 50 5.537 2.530 13.981 1.00 21.23 O ATOM 820 CB LYS A 50 3.801 3.974 15.809 1.00 60.20 C ATOM 821 CG LYS A 50 2.740 4.895 16.465 1.00 51.31 C ATOM 822 CD LYS A 50 1.614 5.323 15.498 1.00 53.25 C ATOM 823 CE LYS A 50 0.577 6.254 16.141 1.00 24.30 C ATOM 824 NZ LYS A 50 -0.145 5.591 17.254 1.00 63.22 N ATOM 0 H LYS A 50 3.773 4.731 13.064 1.00 24.43 H new ATOM 0 HA LYS A 50 5.346 5.442 15.485 1.00 44.42 H new ATOM 0 HB2 LYS A 50 3.280 3.218 15.221 1.00 60.20 H new ATOM 0 HB3 LYS A 50 4.335 3.449 16.601 1.00 60.20 H new ATOM 0 HG2 LYS A 50 2.299 4.378 17.318 1.00 51.31 H new ATOM 0 HG3 LYS A 50 3.234 5.786 16.853 1.00 51.31 H new ATOM 0 HD2 LYS A 50 2.056 5.824 14.637 1.00 53.25 H new ATOM 0 HD3 LYS A 50 1.109 4.432 15.124 1.00 53.25 H new ATOM 0 HE2 LYS A 50 1.074 7.150 16.513 1.00 24.30 H new ATOM 0 HE3 LYS A 50 -0.139 6.577 15.385 1.00 24.30 H new ATOM 0 HZ1 LYS A 50 -0.904 6.214 17.595 1.00 63.22 H new ATOM 0 HZ2 LYS A 50 -0.556 4.697 16.917 1.00 63.22 H new ATOM 0 HZ3 LYS A 50 0.518 5.396 18.031 1.00 63.22 H new ATOM 838 N GLN A 51 7.176 4.036 14.456 1.00 61.41 N ATOM 839 CA GLN A 51 8.313 3.208 14.015 1.00 33.50 C ATOM 840 C GLN A 51 8.959 2.535 15.245 1.00 45.32 C ATOM 841 O GLN A 51 9.087 3.182 16.293 1.00 53.42 O ATOM 842 CB GLN A 51 9.399 4.072 13.282 1.00 74.05 C ATOM 843 CG GLN A 51 8.879 5.174 12.327 1.00 71.24 C ATOM 844 CD GLN A 51 8.341 6.425 13.049 1.00 61.33 C ATOM 845 OE1 GLN A 51 8.754 6.749 14.165 1.00 33.45 O ATOM 846 NE2 GLN A 51 7.435 7.135 12.414 1.00 30.04 N ATOM 0 H GLN A 51 7.457 4.949 14.813 1.00 61.41 H new ATOM 0 HA GLN A 51 7.937 2.459 13.318 1.00 33.50 H new ATOM 0 HB2 GLN A 51 10.026 4.544 14.038 1.00 74.05 H new ATOM 0 HB3 GLN A 51 10.040 3.401 12.711 1.00 74.05 H new ATOM 0 HG2 GLN A 51 9.687 5.472 11.658 1.00 71.24 H new ATOM 0 HG3 GLN A 51 8.087 4.757 11.705 1.00 71.24 H new ATOM 0 HE21 GLN A 51 7.112 6.843 11.492 1.00 30.04 H new ATOM 0 HE22 GLN A 51 7.055 7.978 12.844 1.00 30.04 H new ATOM 855 N THR A 52 9.366 1.260 15.111 1.00 32.23 N ATOM 856 CA THR A 52 10.196 0.580 16.131 1.00 4.13 C ATOM 857 C THR A 52 11.682 0.980 15.947 1.00 23.03 C ATOM 858 O THR A 52 12.086 1.286 14.815 1.00 52.02 O ATOM 859 CB THR A 52 10.060 -0.978 16.042 1.00 4.05 C ATOM 860 OG1 THR A 52 10.301 -1.412 14.692 1.00 3.53 O ATOM 861 CG2 THR A 52 8.680 -1.467 16.517 1.00 34.24 C ATOM 0 H THR A 52 9.135 0.676 14.307 1.00 32.23 H new ATOM 0 HA THR A 52 9.842 0.895 17.113 1.00 4.13 H new ATOM 0 HB THR A 52 10.805 -1.414 16.707 1.00 4.05 H new ATOM 0 HG1 THR A 52 9.450 -1.465 14.209 1.00 3.53 H new ATOM 0 HG21 THR A 52 8.632 -2.553 16.437 1.00 34.24 H new ATOM 0 HG22 THR A 52 8.527 -1.172 17.555 1.00 34.24 H new ATOM 0 HG23 THR A 52 7.903 -1.023 15.895 1.00 34.24 H new ATOM 869 N PRO A 53 12.513 1.005 17.051 1.00 63.31 N ATOM 870 CA PRO A 53 13.967 1.352 16.975 1.00 61.34 C ATOM 871 C PRO A 53 14.771 0.450 15.982 1.00 33.41 C ATOM 872 O PRO A 53 14.341 -0.676 15.685 1.00 71.20 O ATOM 873 CB PRO A 53 14.459 1.176 18.450 1.00 25.04 C ATOM 874 CG PRO A 53 13.404 0.343 19.119 1.00 72.43 C ATOM 875 CD PRO A 53 12.103 0.735 18.456 1.00 73.14 C ATOM 0 HA PRO A 53 14.123 2.357 16.584 1.00 61.34 H new ATOM 0 HB2 PRO A 53 15.431 0.684 18.485 1.00 25.04 H new ATOM 0 HB3 PRO A 53 14.572 2.140 18.945 1.00 25.04 H new ATOM 0 HG2 PRO A 53 13.605 -0.721 18.992 1.00 72.43 H new ATOM 0 HG3 PRO A 53 13.372 0.536 20.191 1.00 72.43 H new ATOM 0 HD2 PRO A 53 11.363 -0.063 18.514 1.00 73.14 H new ATOM 0 HD3 PRO A 53 11.660 1.614 18.924 1.00 73.14 H new ATOM 883 N PRO A 54 15.957 0.951 15.462 1.00 62.41 N ATOM 884 CA PRO A 54 16.831 0.210 14.505 1.00 61.21 C ATOM 885 C PRO A 54 17.180 -1.217 14.979 1.00 24.43 C ATOM 886 O PRO A 54 17.128 -2.170 14.188 1.00 71.11 O ATOM 887 CB PRO A 54 18.090 1.118 14.358 1.00 60.23 C ATOM 888 CG PRO A 54 18.007 2.097 15.491 1.00 63.42 C ATOM 889 CD PRO A 54 16.528 2.296 15.752 1.00 61.11 C ATOM 0 HA PRO A 54 16.331 0.038 13.552 1.00 61.21 H new ATOM 0 HB2 PRO A 54 19.007 0.531 14.412 1.00 60.23 H new ATOM 0 HB3 PRO A 54 18.096 1.630 13.396 1.00 60.23 H new ATOM 0 HG2 PRO A 54 18.513 1.714 16.377 1.00 63.42 H new ATOM 0 HG3 PRO A 54 18.489 3.039 15.231 1.00 63.42 H new ATOM 0 HD2 PRO A 54 16.337 2.603 16.780 1.00 61.11 H new ATOM 0 HD3 PRO A 54 16.103 3.064 15.105 1.00 61.11 H new ATOM 897 N GLY A 55 17.560 -1.336 16.264 1.00 74.12 N ATOM 898 CA GLY A 55 17.826 -2.628 16.890 1.00 21.24 C ATOM 899 C GLY A 55 16.546 -3.392 17.213 1.00 61.32 C ATOM 900 O GLY A 55 16.165 -3.514 18.378 1.00 34.11 O ATOM 0 H GLY A 55 17.689 -0.540 16.888 1.00 74.12 H new ATOM 0 HA2 GLY A 55 18.447 -3.229 16.226 1.00 21.24 H new ATOM 0 HA3 GLY A 55 18.395 -2.474 17.807 1.00 21.24 H new ATOM 904 N ILE A 56 15.882 -3.886 16.161 1.00 50.34 N ATOM 905 CA ILE A 56 14.639 -4.668 16.261 1.00 3.32 C ATOM 906 C ILE A 56 14.995 -6.171 16.173 1.00 73.50 C ATOM 907 O ILE A 56 15.829 -6.556 15.351 1.00 33.13 O ATOM 908 CB ILE A 56 13.615 -4.218 15.134 1.00 24.31 C ATOM 909 CG1 ILE A 56 12.253 -4.979 15.248 1.00 1.23 C ATOM 910 CG2 ILE A 56 14.213 -4.335 13.710 1.00 4.14 C ATOM 911 CD1 ILE A 56 11.459 -4.660 16.507 1.00 23.51 C ATOM 0 H ILE A 56 16.197 -3.753 15.200 1.00 50.34 H new ATOM 0 HA ILE A 56 14.147 -4.488 17.217 1.00 3.32 H new ATOM 0 HB ILE A 56 13.414 -3.160 15.305 1.00 24.31 H new ATOM 0 HG12 ILE A 56 11.643 -4.739 14.377 1.00 1.23 H new ATOM 0 HG13 ILE A 56 12.446 -6.051 15.216 1.00 1.23 H new ATOM 0 HG21 ILE A 56 13.472 -4.015 12.977 1.00 4.14 H new ATOM 0 HG22 ILE A 56 15.097 -3.701 13.633 1.00 4.14 H new ATOM 0 HG23 ILE A 56 14.491 -5.371 13.516 1.00 4.14 H new ATOM 0 HD11 ILE A 56 10.530 -5.230 16.505 1.00 23.51 H new ATOM 0 HD12 ILE A 56 12.047 -4.927 17.385 1.00 23.51 H new ATOM 0 HD13 ILE A 56 11.231 -3.594 16.533 1.00 23.51 H new ATOM 923 N THR A 57 14.386 -7.012 17.048 1.00 64.12 N ATOM 924 CA THR A 57 14.749 -8.451 17.168 1.00 35.34 C ATOM 925 C THR A 57 14.477 -9.222 15.862 1.00 62.11 C ATOM 926 O THR A 57 13.586 -8.844 15.095 1.00 23.14 O ATOM 927 CB THR A 57 14.029 -9.158 18.372 1.00 21.33 C ATOM 928 OG1 THR A 57 14.497 -10.516 18.505 1.00 20.03 O ATOM 929 CG2 THR A 57 12.502 -9.170 18.220 1.00 11.22 C ATOM 0 H THR A 57 13.642 -6.720 17.681 1.00 64.12 H new ATOM 0 HA THR A 57 15.821 -8.471 17.365 1.00 35.34 H new ATOM 0 HB THR A 57 14.274 -8.582 19.264 1.00 21.33 H new ATOM 0 HG1 THR A 57 14.043 -10.946 19.259 1.00 20.03 H new ATOM 0 HG21 THR A 57 12.055 -9.670 19.079 1.00 11.22 H new ATOM 0 HG22 THR A 57 12.134 -8.146 18.164 1.00 11.22 H new ATOM 0 HG23 THR A 57 12.231 -9.703 17.308 1.00 11.22 H new ATOM 937 N ARG A 58 15.247 -10.318 15.646 1.00 2.23 N ATOM 938 CA ARG A 58 15.272 -11.068 14.369 1.00 2.12 C ATOM 939 C ARG A 58 13.881 -11.592 13.970 1.00 1.22 C ATOM 940 O ARG A 58 13.585 -11.688 12.786 1.00 20.23 O ATOM 941 CB ARG A 58 16.299 -12.254 14.403 1.00 2.43 C ATOM 942 CG ARG A 58 15.890 -13.504 15.237 1.00 2.35 C ATOM 943 CD ARG A 58 15.989 -13.310 16.761 1.00 74.13 C ATOM 944 NE ARG A 58 17.389 -13.210 17.226 1.00 72.41 N ATOM 945 CZ ARG A 58 17.811 -13.467 18.482 1.00 53.13 C ATOM 946 NH1 ARG A 58 16.958 -13.845 19.432 1.00 12.41 N ATOM 947 NH2 ARG A 58 19.092 -13.338 18.787 1.00 41.35 N ATOM 0 H ARG A 58 15.869 -10.706 16.356 1.00 2.23 H new ATOM 0 HA ARG A 58 15.595 -10.353 13.612 1.00 2.12 H new ATOM 0 HB2 ARG A 58 16.485 -12.574 13.378 1.00 2.43 H new ATOM 0 HB3 ARG A 58 17.243 -11.876 14.795 1.00 2.43 H new ATOM 0 HG2 ARG A 58 14.865 -13.776 14.983 1.00 2.35 H new ATOM 0 HG3 ARG A 58 16.524 -14.342 14.947 1.00 2.35 H new ATOM 0 HD2 ARG A 58 15.449 -12.407 17.046 1.00 74.13 H new ATOM 0 HD3 ARG A 58 15.501 -14.145 17.263 1.00 74.13 H new ATOM 0 HE ARG A 58 18.091 -12.924 16.544 1.00 72.41 H new ATOM 0 HH11 ARG A 58 15.966 -13.945 19.216 1.00 12.41 H new ATOM 0 HH12 ARG A 58 17.297 -14.035 20.375 1.00 12.41 H new ATOM 0 HH21 ARG A 58 19.759 -13.045 18.073 1.00 41.35 H new ATOM 0 HH22 ARG A 58 19.412 -13.532 19.736 1.00 41.35 H new ATOM 961 N SER A 59 13.043 -11.913 14.978 1.00 42.13 N ATOM 962 CA SER A 59 11.701 -12.481 14.768 1.00 64.51 C ATOM 963 C SER A 59 10.774 -11.442 14.099 1.00 31.42 C ATOM 964 O SER A 59 10.261 -11.663 12.974 1.00 1.41 O ATOM 965 CB SER A 59 11.129 -12.941 16.129 1.00 52.20 C ATOM 966 OG SER A 59 12.082 -13.705 16.848 1.00 4.13 O ATOM 0 H SER A 59 13.282 -11.784 15.961 1.00 42.13 H new ATOM 0 HA SER A 59 11.767 -13.341 14.102 1.00 64.51 H new ATOM 0 HB2 SER A 59 10.836 -12.071 16.717 1.00 52.20 H new ATOM 0 HB3 SER A 59 10.229 -13.534 15.968 1.00 52.20 H new ATOM 0 HG SER A 59 11.698 -13.983 17.706 1.00 4.13 H new ATOM 972 N ILE A 60 10.628 -10.276 14.783 1.00 42.54 N ATOM 973 CA ILE A 60 9.785 -9.162 14.315 1.00 74.12 C ATOM 974 C ILE A 60 10.322 -8.632 12.984 1.00 31.44 C ATOM 975 O ILE A 60 9.562 -8.471 12.048 1.00 65.23 O ATOM 976 CB ILE A 60 9.714 -7.966 15.350 1.00 73.32 C ATOM 977 CG1 ILE A 60 9.221 -8.451 16.746 1.00 43.14 C ATOM 978 CG2 ILE A 60 8.805 -6.813 14.823 1.00 55.42 C ATOM 979 CD1 ILE A 60 9.238 -7.383 17.835 1.00 45.43 C ATOM 0 H ILE A 60 11.094 -10.090 15.671 1.00 42.54 H new ATOM 0 HA ILE A 60 8.777 -9.559 14.199 1.00 74.12 H new ATOM 0 HB ILE A 60 10.726 -7.578 15.463 1.00 73.32 H new ATOM 0 HG12 ILE A 60 8.205 -8.831 16.645 1.00 43.14 H new ATOM 0 HG13 ILE A 60 9.844 -9.287 17.066 1.00 43.14 H new ATOM 0 HG21 ILE A 60 8.777 -6.007 15.557 1.00 55.42 H new ATOM 0 HG22 ILE A 60 9.206 -6.434 13.883 1.00 55.42 H new ATOM 0 HG23 ILE A 60 7.796 -7.191 14.661 1.00 55.42 H new ATOM 0 HD11 ILE A 60 8.879 -7.812 18.771 1.00 45.43 H new ATOM 0 HD12 ILE A 60 10.256 -7.018 17.970 1.00 45.43 H new ATOM 0 HD13 ILE A 60 8.591 -6.555 17.543 1.00 45.43 H new ATOM 991 N GLN A 61 11.653 -8.403 12.923 1.00 22.43 N ATOM 992 CA GLN A 61 12.315 -7.855 11.732 1.00 62.43 C ATOM 993 C GLN A 61 12.095 -8.754 10.510 1.00 24.42 C ATOM 994 O GLN A 61 11.811 -8.245 9.443 1.00 52.22 O ATOM 995 CB GLN A 61 13.836 -7.656 11.958 1.00 12.32 C ATOM 996 CG GLN A 61 14.565 -6.990 10.757 1.00 22.41 C ATOM 997 CD GLN A 61 16.081 -6.927 10.892 1.00 54.15 C ATOM 998 OE1 GLN A 61 16.698 -7.775 11.533 1.00 53.10 O ATOM 999 NE2 GLN A 61 16.699 -5.936 10.266 1.00 74.31 N ATOM 0 H GLN A 61 12.290 -8.594 13.697 1.00 22.43 H new ATOM 0 HA GLN A 61 11.862 -6.881 11.545 1.00 62.43 H new ATOM 0 HB2 GLN A 61 13.985 -7.043 12.847 1.00 12.32 H new ATOM 0 HB3 GLN A 61 14.294 -8.625 12.158 1.00 12.32 H new ATOM 0 HG2 GLN A 61 14.317 -7.539 9.848 1.00 22.41 H new ATOM 0 HG3 GLN A 61 14.182 -5.977 10.633 1.00 22.41 H new ATOM 0 HE21 GLN A 61 16.158 -5.248 9.742 1.00 74.31 H new ATOM 0 HE22 GLN A 61 17.715 -5.861 10.308 1.00 74.31 H new ATOM 1008 N ASP A 62 12.216 -10.088 10.689 1.00 72.53 N ATOM 1009 CA ASP A 62 12.078 -11.058 9.582 1.00 10.30 C ATOM 1010 C ASP A 62 10.649 -11.045 9.028 1.00 21.45 C ATOM 1011 O ASP A 62 10.455 -10.906 7.809 1.00 13.10 O ATOM 1012 CB ASP A 62 12.455 -12.495 10.024 1.00 52.12 C ATOM 1013 CG ASP A 62 12.430 -13.505 8.858 1.00 0.43 C ATOM 1014 OD1 ASP A 62 13.428 -13.588 8.116 1.00 24.13 O ATOM 1015 OD2 ASP A 62 11.409 -14.200 8.663 1.00 51.45 O ATOM 0 H ASP A 62 12.410 -10.518 11.593 1.00 72.53 H new ATOM 0 HA ASP A 62 12.772 -10.752 8.799 1.00 10.30 H new ATOM 0 HB2 ASP A 62 13.450 -12.484 10.468 1.00 52.12 H new ATOM 0 HB3 ASP A 62 11.764 -12.825 10.799 1.00 52.12 H new ATOM 1020 N MET A 63 9.652 -11.195 9.937 1.00 44.22 N ATOM 1021 CA MET A 63 8.226 -11.229 9.545 1.00 23.24 C ATOM 1022 C MET A 63 7.810 -9.905 8.882 1.00 1.52 C ATOM 1023 O MET A 63 7.223 -9.908 7.798 1.00 32.22 O ATOM 1024 CB MET A 63 7.313 -11.527 10.760 1.00 40.41 C ATOM 1025 CG MET A 63 7.519 -12.910 11.386 1.00 61.10 C ATOM 1026 SD MET A 63 6.412 -13.211 12.782 1.00 11.32 S ATOM 1027 CE MET A 63 6.797 -11.826 13.852 1.00 5.30 C ATOM 0 H MET A 63 9.811 -11.294 10.940 1.00 44.22 H new ATOM 0 HA MET A 63 8.105 -12.036 8.823 1.00 23.24 H new ATOM 0 HB2 MET A 63 7.485 -10.768 11.523 1.00 40.41 H new ATOM 0 HB3 MET A 63 6.273 -11.435 10.448 1.00 40.41 H new ATOM 0 HG2 MET A 63 7.358 -13.676 10.627 1.00 61.10 H new ATOM 0 HG3 MET A 63 8.552 -13.004 11.719 1.00 61.10 H new ATOM 0 HE1 MET A 63 6.479 -12.053 14.870 1.00 5.30 H new ATOM 0 HE2 MET A 63 7.872 -11.645 13.840 1.00 5.30 H new ATOM 0 HE3 MET A 63 6.275 -10.937 13.498 1.00 5.30 H new ATOM 1037 N VAL A 64 8.162 -8.790 9.541 1.00 21.13 N ATOM 1038 CA VAL A 64 7.838 -7.429 9.088 1.00 21.34 C ATOM 1039 C VAL A 64 8.525 -7.103 7.756 1.00 22.41 C ATOM 1040 O VAL A 64 7.896 -6.521 6.897 1.00 40.31 O ATOM 1041 CB VAL A 64 8.188 -6.356 10.195 1.00 23.30 C ATOM 1042 CG1 VAL A 64 8.278 -4.918 9.630 1.00 73.11 C ATOM 1043 CG2 VAL A 64 7.154 -6.430 11.356 1.00 65.11 C ATOM 0 H VAL A 64 8.687 -8.809 10.415 1.00 21.13 H new ATOM 0 HA VAL A 64 6.762 -7.388 8.919 1.00 21.34 H new ATOM 0 HB VAL A 64 9.179 -6.599 10.578 1.00 23.30 H new ATOM 0 HG11 VAL A 64 8.521 -4.225 10.436 1.00 73.11 H new ATOM 0 HG12 VAL A 64 9.056 -4.875 8.867 1.00 73.11 H new ATOM 0 HG13 VAL A 64 7.321 -4.640 9.188 1.00 73.11 H new ATOM 0 HG21 VAL A 64 7.404 -5.687 12.114 1.00 65.11 H new ATOM 0 HG22 VAL A 64 6.155 -6.230 10.967 1.00 65.11 H new ATOM 0 HG23 VAL A 64 7.178 -7.425 11.802 1.00 65.11 H new ATOM 1053 N ALA A 65 9.798 -7.511 7.588 1.00 23.44 N ATOM 1054 CA ALA A 65 10.565 -7.261 6.344 1.00 2.41 C ATOM 1055 C ALA A 65 10.004 -8.096 5.185 1.00 21.22 C ATOM 1056 O ALA A 65 10.116 -7.696 4.024 1.00 43.32 O ATOM 1057 CB ALA A 65 12.067 -7.529 6.531 1.00 43.13 C ATOM 0 H ALA A 65 10.323 -8.018 8.301 1.00 23.44 H new ATOM 0 HA ALA A 65 10.453 -6.205 6.099 1.00 2.41 H new ATOM 0 HB1 ALA A 65 12.591 -7.333 5.595 1.00 43.13 H new ATOM 0 HB2 ALA A 65 12.459 -6.875 7.310 1.00 43.13 H new ATOM 0 HB3 ALA A 65 12.218 -8.569 6.821 1.00 43.13 H new ATOM 1063 N GLY A 66 9.428 -9.267 5.519 1.00 24.24 N ATOM 1064 CA GLY A 66 8.681 -10.070 4.558 1.00 71.01 C ATOM 1065 C GLY A 66 7.402 -9.360 4.118 1.00 10.20 C ATOM 1066 O GLY A 66 7.053 -9.377 2.933 1.00 41.23 O ATOM 0 H GLY A 66 9.472 -9.671 6.454 1.00 24.24 H new ATOM 0 HA2 GLY A 66 9.305 -10.273 3.688 1.00 71.01 H new ATOM 0 HA3 GLY A 66 8.430 -11.033 5.002 1.00 71.01 H new ATOM 1070 N TYR A 67 6.714 -8.725 5.100 1.00 53.34 N ATOM 1071 CA TYR A 67 5.506 -7.908 4.861 1.00 4.23 C ATOM 1072 C TYR A 67 5.857 -6.629 4.079 1.00 22.32 C ATOM 1073 O TYR A 67 5.063 -6.155 3.279 1.00 71.33 O ATOM 1074 CB TYR A 67 4.826 -7.515 6.204 1.00 24.14 C ATOM 1075 CG TYR A 67 4.286 -8.682 7.053 1.00 21.32 C ATOM 1076 CD1 TYR A 67 4.397 -8.675 8.452 1.00 55.53 C ATOM 1077 CD2 TYR A 67 3.647 -9.775 6.461 1.00 44.21 C ATOM 1078 CE1 TYR A 67 3.903 -9.717 9.216 1.00 22.20 C ATOM 1079 CE2 TYR A 67 3.155 -10.818 7.221 1.00 60.01 C ATOM 1080 CZ TYR A 67 3.279 -10.783 8.596 1.00 32.42 C ATOM 1081 OH TYR A 67 2.783 -11.824 9.352 1.00 23.23 O ATOM 0 H TYR A 67 6.986 -8.768 6.082 1.00 53.34 H new ATOM 0 HA TYR A 67 4.814 -8.511 4.273 1.00 4.23 H new ATOM 0 HB2 TYR A 67 5.546 -6.958 6.804 1.00 24.14 H new ATOM 0 HB3 TYR A 67 4.000 -6.838 5.986 1.00 24.14 H new ATOM 0 HD1 TYR A 67 4.877 -7.840 8.941 1.00 55.53 H new ATOM 0 HD2 TYR A 67 3.536 -9.805 5.387 1.00 44.21 H new ATOM 0 HE1 TYR A 67 4.004 -9.698 10.291 1.00 22.20 H new ATOM 0 HE2 TYR A 67 2.675 -11.658 6.742 1.00 60.01 H new ATOM 0 HH TYR A 67 2.374 -12.491 8.762 1.00 23.23 H new ATOM 1091 N ILE A 68 7.067 -6.100 4.348 1.00 4.34 N ATOM 1092 CA ILE A 68 7.610 -4.876 3.739 1.00 34.32 C ATOM 1093 C ILE A 68 7.901 -5.122 2.258 1.00 53.10 C ATOM 1094 O ILE A 68 7.507 -4.332 1.413 1.00 15.43 O ATOM 1095 CB ILE A 68 8.922 -4.396 4.506 1.00 1.34 C ATOM 1096 CG1 ILE A 68 8.549 -3.650 5.833 1.00 25.20 C ATOM 1097 CG2 ILE A 68 9.878 -3.553 3.620 1.00 62.21 C ATOM 1098 CD1 ILE A 68 9.729 -3.183 6.683 1.00 31.33 C ATOM 0 H ILE A 68 7.710 -6.527 5.015 1.00 4.34 H new ATOM 0 HA ILE A 68 6.869 -4.081 3.823 1.00 34.32 H new ATOM 0 HB ILE A 68 9.480 -5.296 4.763 1.00 1.34 H new ATOM 0 HG12 ILE A 68 7.940 -2.782 5.581 1.00 25.20 H new ATOM 0 HG13 ILE A 68 7.928 -4.311 6.438 1.00 25.20 H new ATOM 0 HG21 ILE A 68 10.750 -3.259 4.204 1.00 62.21 H new ATOM 0 HG22 ILE A 68 10.198 -4.146 2.763 1.00 62.21 H new ATOM 0 HG23 ILE A 68 9.358 -2.661 3.270 1.00 62.21 H new ATOM 0 HD11 ILE A 68 9.358 -2.680 7.576 1.00 31.33 H new ATOM 0 HD12 ILE A 68 10.330 -4.044 6.975 1.00 31.33 H new ATOM 0 HD13 ILE A 68 10.342 -2.491 6.105 1.00 31.33 H new ATOM 1110 N LYS A 69 8.578 -6.242 1.970 1.00 62.22 N ATOM 1111 CA LYS A 69 8.963 -6.610 0.606 1.00 24.05 C ATOM 1112 C LYS A 69 7.716 -6.996 -0.208 1.00 13.21 C ATOM 1113 O LYS A 69 7.609 -6.636 -1.385 1.00 2.00 O ATOM 1114 CB LYS A 69 10.009 -7.749 0.645 1.00 54.32 C ATOM 1115 CG LYS A 69 10.466 -8.256 -0.746 1.00 5.24 C ATOM 1116 CD LYS A 69 11.757 -9.106 -0.691 1.00 12.33 C ATOM 1117 CE LYS A 69 12.992 -8.273 -0.290 1.00 22.04 C ATOM 1118 NZ LYS A 69 14.224 -9.096 -0.251 1.00 54.33 N ATOM 0 H LYS A 69 8.873 -6.916 2.677 1.00 62.22 H new ATOM 0 HA LYS A 69 9.424 -5.756 0.110 1.00 24.05 H new ATOM 0 HB2 LYS A 69 10.883 -7.402 1.196 1.00 54.32 H new ATOM 0 HB3 LYS A 69 9.593 -8.587 1.203 1.00 54.32 H new ATOM 0 HG2 LYS A 69 9.667 -8.849 -1.190 1.00 5.24 H new ATOM 0 HG3 LYS A 69 10.630 -7.401 -1.402 1.00 5.24 H new ATOM 0 HD2 LYS A 69 11.623 -9.919 0.022 1.00 12.33 H new ATOM 0 HD3 LYS A 69 11.930 -9.562 -1.666 1.00 12.33 H new ATOM 0 HE2 LYS A 69 13.124 -7.455 -0.998 1.00 22.04 H new ATOM 0 HE3 LYS A 69 12.825 -7.823 0.689 1.00 22.04 H new ATOM 0 HZ1 LYS A 69 15.031 -8.500 0.022 1.00 54.33 H new ATOM 0 HZ2 LYS A 69 14.108 -9.862 0.443 1.00 54.33 H new ATOM 0 HZ3 LYS A 69 14.398 -9.505 -1.191 1.00 54.33 H new ATOM 1132 N GLN A 70 6.760 -7.686 0.464 1.00 41.23 N ATOM 1133 CA GLN A 70 5.462 -8.047 -0.127 1.00 61.24 C ATOM 1134 C GLN A 70 4.698 -6.780 -0.533 1.00 32.12 C ATOM 1135 O GLN A 70 4.309 -6.638 -1.691 1.00 2.22 O ATOM 1136 CB GLN A 70 4.603 -8.895 0.863 1.00 41.53 C ATOM 1137 CG GLN A 70 3.137 -9.175 0.409 1.00 25.32 C ATOM 1138 CD GLN A 70 2.986 -10.105 -0.812 1.00 34.41 C ATOM 1139 OE1 GLN A 70 3.858 -10.196 -1.680 1.00 50.33 O ATOM 1140 NE2 GLN A 70 1.849 -10.788 -0.899 1.00 21.15 N ATOM 0 H GLN A 70 6.874 -8.003 1.427 1.00 41.23 H new ATOM 0 HA GLN A 70 5.653 -8.653 -1.013 1.00 61.24 H new ATOM 0 HB2 GLN A 70 5.103 -9.850 1.025 1.00 41.53 H new ATOM 0 HB3 GLN A 70 4.576 -8.382 1.824 1.00 41.53 H new ATOM 0 HG2 GLN A 70 2.593 -9.612 1.246 1.00 25.32 H new ATOM 0 HG3 GLN A 70 2.658 -8.223 0.180 1.00 25.32 H new ATOM 0 HE21 GLN A 70 1.142 -10.697 -0.169 1.00 21.15 H new ATOM 0 HE22 GLN A 70 1.683 -11.403 -1.696 1.00 21.15 H new ATOM 1149 N THR A 71 4.534 -5.844 0.423 1.00 24.15 N ATOM 1150 CA THR A 71 3.713 -4.655 0.208 1.00 52.45 C ATOM 1151 C THR A 71 4.391 -3.673 -0.757 1.00 63.00 C ATOM 1152 O THR A 71 3.710 -3.058 -1.535 1.00 13.54 O ATOM 1153 CB THR A 71 3.301 -3.944 1.540 1.00 20.24 C ATOM 1154 OG1 THR A 71 2.220 -3.042 1.280 1.00 45.35 O ATOM 1155 CG2 THR A 71 4.444 -3.164 2.214 1.00 55.20 C ATOM 0 H THR A 71 4.962 -5.896 1.347 1.00 24.15 H new ATOM 0 HA THR A 71 2.789 -5.005 -0.253 1.00 52.45 H new ATOM 0 HB THR A 71 3.010 -4.736 2.230 1.00 20.24 H new ATOM 0 HG1 THR A 71 2.454 -2.148 1.606 1.00 45.35 H new ATOM 0 HG21 THR A 71 4.078 -2.701 3.130 1.00 55.20 H new ATOM 0 HG22 THR A 71 5.259 -3.847 2.454 1.00 55.20 H new ATOM 0 HG23 THR A 71 4.806 -2.391 1.536 1.00 55.20 H new ATOM 1163 N LEU A 72 5.735 -3.563 -0.717 1.00 61.23 N ATOM 1164 CA LEU A 72 6.490 -2.674 -1.624 1.00 61.04 C ATOM 1165 C LEU A 72 6.415 -3.176 -3.070 1.00 0.13 C ATOM 1166 O LEU A 72 6.266 -2.375 -3.991 1.00 32.34 O ATOM 1167 CB LEU A 72 7.974 -2.519 -1.178 1.00 34.02 C ATOM 1168 CG LEU A 72 8.235 -1.491 -0.038 1.00 73.13 C ATOM 1169 CD1 LEU A 72 9.739 -1.400 0.313 1.00 65.21 C ATOM 1170 CD2 LEU A 72 7.654 -0.112 -0.417 1.00 41.34 C ATOM 0 H LEU A 72 6.322 -4.081 -0.063 1.00 61.23 H new ATOM 0 HA LEU A 72 6.024 -1.690 -1.573 1.00 61.04 H new ATOM 0 HB2 LEU A 72 8.340 -3.493 -0.854 1.00 34.02 H new ATOM 0 HB3 LEU A 72 8.566 -2.229 -2.046 1.00 34.02 H new ATOM 0 HG LEU A 72 7.723 -1.840 0.859 1.00 73.13 H new ATOM 0 HD11 LEU A 72 9.883 -0.673 1.112 1.00 65.21 H new ATOM 0 HD12 LEU A 72 10.096 -2.376 0.642 1.00 65.21 H new ATOM 0 HD13 LEU A 72 10.300 -1.087 -0.568 1.00 65.21 H new ATOM 0 HD21 LEU A 72 7.844 0.597 0.389 1.00 41.34 H new ATOM 0 HD22 LEU A 72 8.128 0.244 -1.332 1.00 41.34 H new ATOM 0 HD23 LEU A 72 6.579 -0.201 -0.576 1.00 41.34 H new ATOM 1182 N ASP A 73 6.514 -4.507 -3.244 1.00 1.44 N ATOM 1183 CA ASP A 73 6.413 -5.147 -4.564 1.00 34.15 C ATOM 1184 C ASP A 73 5.003 -4.945 -5.142 1.00 64.10 C ATOM 1185 O ASP A 73 4.832 -4.374 -6.226 1.00 41.02 O ATOM 1186 CB ASP A 73 6.745 -6.658 -4.448 1.00 21.12 C ATOM 1187 CG ASP A 73 6.611 -7.412 -5.777 1.00 71.24 C ATOM 1188 OD1 ASP A 73 7.567 -7.394 -6.577 1.00 14.31 O ATOM 1189 OD2 ASP A 73 5.546 -8.015 -6.034 1.00 21.33 O ATOM 0 H ASP A 73 6.665 -5.163 -2.478 1.00 1.44 H new ATOM 0 HA ASP A 73 7.132 -4.685 -5.240 1.00 34.15 H new ATOM 0 HB2 ASP A 73 7.763 -6.772 -4.075 1.00 21.12 H new ATOM 0 HB3 ASP A 73 6.083 -7.113 -3.712 1.00 21.12 H new ATOM 1194 N ASN A 74 4.001 -5.368 -4.350 1.00 13.11 N ATOM 1195 CA ASN A 74 2.593 -5.429 -4.772 1.00 44.10 C ATOM 1196 C ASN A 74 1.995 -4.026 -4.938 1.00 42.23 C ATOM 1197 O ASN A 74 1.127 -3.818 -5.788 1.00 14.34 O ATOM 1198 CB ASN A 74 1.757 -6.273 -3.763 1.00 13.34 C ATOM 1199 CG ASN A 74 2.095 -7.781 -3.742 1.00 64.10 C ATOM 1200 OD1 ASN A 74 1.220 -8.614 -3.522 1.00 31.31 O ATOM 1201 ND2 ASN A 74 3.351 -8.155 -3.955 1.00 13.33 N ATOM 0 H ASN A 74 4.149 -5.680 -3.390 1.00 13.11 H new ATOM 0 HA ASN A 74 2.557 -5.918 -5.746 1.00 44.10 H new ATOM 0 HB2 ASN A 74 1.905 -5.868 -2.762 1.00 13.34 H new ATOM 0 HB3 ASN A 74 0.700 -6.155 -4.001 1.00 13.34 H new ATOM 0 HD21 ASN A 74 3.599 -9.144 -3.937 1.00 13.33 H new ATOM 0 HD22 ASN A 74 4.068 -7.453 -4.137 1.00 13.33 H new ATOM 1208 N GLU A 75 2.484 -3.069 -4.126 1.00 42.52 N ATOM 1209 CA GLU A 75 2.036 -1.668 -4.184 1.00 4.15 C ATOM 1210 C GLU A 75 2.709 -0.917 -5.334 1.00 30.45 C ATOM 1211 O GLU A 75 2.078 -0.063 -5.938 1.00 10.45 O ATOM 1212 CB GLU A 75 2.314 -0.903 -2.880 1.00 0.21 C ATOM 1213 CG GLU A 75 1.818 0.547 -2.893 1.00 74.12 C ATOM 1214 CD GLU A 75 2.423 1.406 -1.793 1.00 22.50 C ATOM 1215 OE1 GLU A 75 1.769 1.582 -0.745 1.00 31.43 O ATOM 1216 OE2 GLU A 75 3.554 1.912 -1.984 1.00 61.21 O ATOM 0 H GLU A 75 3.196 -3.245 -3.417 1.00 42.52 H new ATOM 0 HA GLU A 75 0.958 -1.711 -4.342 1.00 4.15 H new ATOM 0 HB2 GLU A 75 1.841 -1.431 -2.052 1.00 0.21 H new ATOM 0 HB3 GLU A 75 3.387 -0.908 -2.689 1.00 0.21 H new ATOM 0 HG2 GLU A 75 2.050 0.993 -3.860 1.00 74.12 H new ATOM 0 HG3 GLU A 75 0.733 0.552 -2.791 1.00 74.12 H new ATOM 1223 N GLN A 76 4.004 -1.193 -5.601 1.00 54.34 N ATOM 1224 CA GLN A 76 4.708 -0.585 -6.747 1.00 3.05 C ATOM 1225 C GLN A 76 4.046 -1.047 -8.058 1.00 22.35 C ATOM 1226 O GLN A 76 3.926 -0.272 -9.013 1.00 13.30 O ATOM 1227 CB GLN A 76 6.220 -0.923 -6.731 1.00 13.33 C ATOM 1228 CG GLN A 76 7.030 -0.271 -7.874 1.00 32.21 C ATOM 1229 CD GLN A 76 8.534 -0.534 -7.802 1.00 73.12 C ATOM 1230 OE1 GLN A 76 9.102 -0.700 -6.724 1.00 3.02 O ATOM 1231 NE2 GLN A 76 9.194 -0.558 -8.949 1.00 14.14 N ATOM 0 H GLN A 76 4.577 -1.827 -5.044 1.00 54.34 H new ATOM 0 HA GLN A 76 4.628 0.499 -6.671 1.00 3.05 H new ATOM 0 HB2 GLN A 76 6.641 -0.606 -5.777 1.00 13.33 H new ATOM 0 HB3 GLN A 76 6.339 -2.005 -6.789 1.00 13.33 H new ATOM 0 HG2 GLN A 76 6.653 -0.639 -8.828 1.00 32.21 H new ATOM 0 HG3 GLN A 76 6.859 0.805 -7.858 1.00 32.21 H new ATOM 0 HE21 GLN A 76 8.695 -0.417 -9.827 1.00 14.14 H new ATOM 0 HE22 GLN A 76 10.201 -0.717 -8.954 1.00 14.14 H new ATOM 1240 N LEU A 77 3.589 -2.311 -8.067 1.00 13.43 N ATOM 1241 CA LEU A 77 2.810 -2.879 -9.169 1.00 12.15 C ATOM 1242 C LEU A 77 1.414 -2.222 -9.250 1.00 34.34 C ATOM 1243 O LEU A 77 0.942 -1.943 -10.348 1.00 41.14 O ATOM 1244 CB LEU A 77 2.708 -4.413 -9.010 1.00 4.44 C ATOM 1245 CG LEU A 77 3.989 -5.216 -9.382 1.00 12.15 C ATOM 1246 CD1 LEU A 77 3.853 -6.704 -8.999 1.00 45.55 C ATOM 1247 CD2 LEU A 77 4.312 -5.047 -10.883 1.00 55.10 C ATOM 0 H LEU A 77 3.753 -2.967 -7.303 1.00 13.43 H new ATOM 0 HA LEU A 77 3.322 -2.669 -10.108 1.00 12.15 H new ATOM 0 HB2 LEU A 77 2.449 -4.636 -7.975 1.00 4.44 H new ATOM 0 HB3 LEU A 77 1.885 -4.770 -9.629 1.00 4.44 H new ATOM 0 HG LEU A 77 4.822 -4.813 -8.807 1.00 12.15 H new ATOM 0 HD11 LEU A 77 4.765 -7.235 -9.273 1.00 45.55 H new ATOM 0 HD12 LEU A 77 3.692 -6.790 -7.924 1.00 45.55 H new ATOM 0 HD13 LEU A 77 3.006 -7.140 -9.529 1.00 45.55 H new ATOM 0 HD21 LEU A 77 5.210 -5.614 -11.128 1.00 55.10 H new ATOM 0 HD22 LEU A 77 3.477 -5.415 -11.479 1.00 55.10 H new ATOM 0 HD23 LEU A 77 4.478 -3.992 -11.103 1.00 55.10 H new ATOM 1259 N LEU A 78 0.773 -1.985 -8.079 1.00 34.22 N ATOM 1260 CA LEU A 78 -0.483 -1.191 -7.983 1.00 32.23 C ATOM 1261 C LEU A 78 -0.280 0.225 -8.548 1.00 15.04 C ATOM 1262 O LEU A 78 -1.101 0.714 -9.308 1.00 25.15 O ATOM 1263 CB LEU A 78 -0.973 -1.101 -6.498 1.00 44.23 C ATOM 1264 CG LEU A 78 -1.811 -2.306 -5.976 1.00 0.53 C ATOM 1265 CD1 LEU A 78 -1.924 -2.300 -4.433 1.00 61.33 C ATOM 1266 CD2 LEU A 78 -3.206 -2.305 -6.639 1.00 33.44 C ATOM 0 H LEU A 78 1.106 -2.334 -7.180 1.00 34.22 H new ATOM 0 HA LEU A 78 -1.243 -1.701 -8.575 1.00 32.23 H new ATOM 0 HB2 LEU A 78 -0.100 -0.987 -5.855 1.00 44.23 H new ATOM 0 HB3 LEU A 78 -1.570 -0.196 -6.388 1.00 44.23 H new ATOM 0 HG LEU A 78 -1.293 -3.225 -6.251 1.00 0.53 H new ATOM 0 HD11 LEU A 78 -2.516 -3.156 -4.108 1.00 61.33 H new ATOM 0 HD12 LEU A 78 -0.928 -2.360 -3.995 1.00 61.33 H new ATOM 0 HD13 LEU A 78 -2.408 -1.379 -4.107 1.00 61.33 H new ATOM 0 HD21 LEU A 78 -3.785 -3.151 -6.269 1.00 33.44 H new ATOM 0 HD22 LEU A 78 -3.723 -1.377 -6.397 1.00 33.44 H new ATOM 0 HD23 LEU A 78 -3.095 -2.387 -7.720 1.00 33.44 H new ATOM 1278 N LYS A 79 0.850 0.838 -8.187 1.00 22.23 N ATOM 1279 CA LYS A 79 1.159 2.241 -8.483 1.00 61.21 C ATOM 1280 C LYS A 79 1.346 2.404 -9.998 1.00 13.31 C ATOM 1281 O LYS A 79 0.765 3.299 -10.601 1.00 15.13 O ATOM 1282 CB LYS A 79 2.432 2.683 -7.677 1.00 51.12 C ATOM 1283 CG LYS A 79 2.518 4.185 -7.295 1.00 0.20 C ATOM 1284 CD LYS A 79 2.699 5.139 -8.500 1.00 53.14 C ATOM 1285 CE LYS A 79 2.759 6.612 -8.080 1.00 22.15 C ATOM 1286 NZ LYS A 79 2.890 7.523 -9.237 1.00 40.21 N ATOM 0 H LYS A 79 1.591 0.364 -7.670 1.00 22.23 H new ATOM 0 HA LYS A 79 0.338 2.888 -8.174 1.00 61.21 H new ATOM 0 HB2 LYS A 79 2.478 2.094 -6.761 1.00 51.12 H new ATOM 0 HB3 LYS A 79 3.314 2.429 -8.265 1.00 51.12 H new ATOM 0 HG2 LYS A 79 1.611 4.464 -6.759 1.00 0.20 H new ATOM 0 HG3 LYS A 79 3.351 4.326 -6.607 1.00 0.20 H new ATOM 0 HD2 LYS A 79 3.615 4.879 -9.031 1.00 53.14 H new ATOM 0 HD3 LYS A 79 1.874 4.997 -9.198 1.00 53.14 H new ATOM 0 HE2 LYS A 79 1.857 6.865 -7.522 1.00 22.15 H new ATOM 0 HE3 LYS A 79 3.603 6.761 -7.406 1.00 22.15 H new ATOM 0 HZ1 LYS A 79 2.926 8.507 -8.902 1.00 40.21 H new ATOM 0 HZ2 LYS A 79 3.764 7.301 -9.756 1.00 40.21 H new ATOM 0 HZ3 LYS A 79 2.072 7.402 -9.868 1.00 40.21 H new ATOM 1300 N GLY A 80 2.120 1.479 -10.588 1.00 55.11 N ATOM 1301 CA GLY A 80 2.449 1.510 -12.006 1.00 31.03 C ATOM 1302 C GLY A 80 1.274 1.129 -12.902 1.00 40.30 C ATOM 1303 O GLY A 80 1.061 1.753 -13.948 1.00 43.05 O ATOM 0 H GLY A 80 2.531 0.691 -10.087 1.00 55.11 H new ATOM 0 HA2 GLY A 80 2.791 2.510 -12.272 1.00 31.03 H new ATOM 0 HA3 GLY A 80 3.278 0.829 -12.195 1.00 31.03 H new ATOM 1307 N LEU A 81 0.515 0.096 -12.477 1.00 34.23 N ATOM 1308 CA LEU A 81 -0.668 -0.404 -13.207 1.00 71.22 C ATOM 1309 C LEU A 81 -1.744 0.682 -13.251 1.00 42.14 C ATOM 1310 O LEU A 81 -2.282 0.977 -14.309 1.00 13.15 O ATOM 1311 CB LEU A 81 -1.195 -1.717 -12.535 1.00 14.11 C ATOM 1312 CG LEU A 81 -2.397 -2.485 -13.222 1.00 15.15 C ATOM 1313 CD1 LEU A 81 -2.386 -3.987 -12.860 1.00 42.13 C ATOM 1314 CD2 LEU A 81 -3.777 -1.875 -12.852 1.00 14.41 C ATOM 0 H LEU A 81 0.707 -0.415 -11.616 1.00 34.23 H new ATOM 0 HA LEU A 81 -0.393 -0.645 -14.234 1.00 71.22 H new ATOM 0 HB2 LEU A 81 -0.358 -2.411 -12.460 1.00 14.11 H new ATOM 0 HB3 LEU A 81 -1.497 -1.471 -11.517 1.00 14.11 H new ATOM 0 HG LEU A 81 -2.252 -2.373 -14.297 1.00 15.15 H new ATOM 0 HD11 LEU A 81 -3.224 -4.485 -13.348 1.00 42.13 H new ATOM 0 HD12 LEU A 81 -1.451 -4.436 -13.197 1.00 42.13 H new ATOM 0 HD13 LEU A 81 -2.475 -4.102 -11.780 1.00 42.13 H new ATOM 0 HD21 LEU A 81 -4.568 -2.437 -13.348 1.00 14.41 H new ATOM 0 HD22 LEU A 81 -3.919 -1.924 -11.772 1.00 14.41 H new ATOM 0 HD23 LEU A 81 -3.813 -0.835 -13.175 1.00 14.41 H new ATOM 1326 N LEU A 82 -2.024 1.273 -12.078 1.00 3.44 N ATOM 1327 CA LEU A 82 -3.085 2.277 -11.904 1.00 25.33 C ATOM 1328 C LEU A 82 -2.662 3.652 -12.438 1.00 54.23 C ATOM 1329 O LEU A 82 -3.524 4.463 -12.767 1.00 11.12 O ATOM 1330 CB LEU A 82 -3.502 2.342 -10.414 1.00 65.53 C ATOM 1331 CG LEU A 82 -4.301 1.098 -9.905 1.00 34.12 C ATOM 1332 CD1 LEU A 82 -4.275 0.984 -8.373 1.00 12.04 C ATOM 1333 CD2 LEU A 82 -5.745 1.147 -10.424 1.00 64.11 C ATOM 0 H LEU A 82 -1.516 1.066 -11.218 1.00 3.44 H new ATOM 0 HA LEU A 82 -3.950 1.973 -12.494 1.00 25.33 H new ATOM 0 HB2 LEU A 82 -2.606 2.455 -9.804 1.00 65.53 H new ATOM 0 HB3 LEU A 82 -4.108 3.235 -10.259 1.00 65.53 H new ATOM 0 HG LEU A 82 -3.813 0.207 -10.300 1.00 34.12 H new ATOM 0 HD11 LEU A 82 -4.842 0.106 -8.064 1.00 12.04 H new ATOM 0 HD12 LEU A 82 -3.244 0.888 -8.033 1.00 12.04 H new ATOM 0 HD13 LEU A 82 -4.720 1.877 -7.934 1.00 12.04 H new ATOM 0 HD21 LEU A 82 -6.291 0.276 -10.063 1.00 64.11 H new ATOM 0 HD22 LEU A 82 -6.230 2.054 -10.064 1.00 64.11 H new ATOM 0 HD23 LEU A 82 -5.740 1.146 -11.514 1.00 64.11 H new ATOM 1345 N GLN A 83 -1.337 3.906 -12.524 1.00 4.11 N ATOM 1346 CA GLN A 83 -0.812 5.097 -13.214 1.00 71.43 C ATOM 1347 C GLN A 83 -1.148 4.952 -14.707 1.00 55.34 C ATOM 1348 O GLN A 83 -1.782 5.825 -15.288 1.00 45.22 O ATOM 1349 CB GLN A 83 0.731 5.259 -12.998 1.00 31.20 C ATOM 1350 CG GLN A 83 1.290 6.697 -13.176 1.00 11.10 C ATOM 1351 CD GLN A 83 1.202 7.298 -14.596 1.00 65.15 C ATOM 1352 OE1 GLN A 83 1.013 8.502 -14.751 1.00 42.23 O ATOM 1353 NE2 GLN A 83 1.376 6.484 -15.632 1.00 2.24 N ATOM 0 H GLN A 83 -0.618 3.303 -12.125 1.00 4.11 H new ATOM 0 HA GLN A 83 -1.273 5.996 -12.804 1.00 71.43 H new ATOM 0 HB2 GLN A 83 0.976 4.916 -11.993 1.00 31.20 H new ATOM 0 HB3 GLN A 83 1.248 4.599 -13.695 1.00 31.20 H new ATOM 0 HG2 GLN A 83 0.757 7.358 -12.492 1.00 11.10 H new ATOM 0 HG3 GLN A 83 2.336 6.697 -12.869 1.00 11.10 H new ATOM 0 HE21 GLN A 83 1.531 5.488 -15.477 1.00 2.24 H new ATOM 0 HE22 GLN A 83 1.354 6.855 -16.582 1.00 2.24 H new ATOM 1362 N GLN A 84 -0.736 3.796 -15.273 1.00 13.54 N ATOM 1363 CA GLN A 84 -0.954 3.436 -16.691 1.00 21.20 C ATOM 1364 C GLN A 84 -2.461 3.418 -17.002 1.00 4.23 C ATOM 1365 O GLN A 84 -2.882 3.864 -18.066 1.00 52.52 O ATOM 1366 CB GLN A 84 -0.285 2.047 -16.973 1.00 31.11 C ATOM 1367 CG GLN A 84 -0.063 1.643 -18.462 1.00 14.21 C ATOM 1368 CD GLN A 84 -1.312 1.090 -19.181 1.00 40.12 C ATOM 1369 OE1 GLN A 84 -1.592 -0.108 -19.119 1.00 11.43 O ATOM 1370 NE2 GLN A 84 -2.035 1.938 -19.901 1.00 4.00 N ATOM 0 H GLN A 84 -0.236 3.077 -14.750 1.00 13.54 H new ATOM 0 HA GLN A 84 -0.495 4.178 -17.345 1.00 21.20 H new ATOM 0 HB2 GLN A 84 0.683 2.033 -16.473 1.00 31.11 H new ATOM 0 HB3 GLN A 84 -0.898 1.277 -16.504 1.00 31.11 H new ATOM 0 HG2 GLN A 84 0.297 2.514 -19.009 1.00 14.21 H new ATOM 0 HG3 GLN A 84 0.725 0.891 -18.505 1.00 14.21 H new ATOM 0 HE21 GLN A 84 -1.780 2.925 -19.934 1.00 4.00 H new ATOM 0 HE22 GLN A 84 -2.846 1.603 -20.421 1.00 4.00 H new ATOM 1379 N ARG A 85 -3.250 2.951 -16.017 1.00 13.11 N ATOM 1380 CA ARG A 85 -4.699 2.775 -16.143 1.00 62.24 C ATOM 1381 C ARG A 85 -5.408 4.133 -16.222 1.00 43.11 C ATOM 1382 O ARG A 85 -6.123 4.383 -17.181 1.00 2.02 O ATOM 1383 CB ARG A 85 -5.242 1.933 -14.953 1.00 2.20 C ATOM 1384 CG ARG A 85 -6.754 1.603 -14.997 1.00 11.14 C ATOM 1385 CD ARG A 85 -7.179 0.955 -16.331 1.00 74.51 C ATOM 1386 NE ARG A 85 -6.312 -0.182 -16.711 1.00 50.00 N ATOM 1387 CZ ARG A 85 -6.073 -0.575 -17.975 1.00 32.30 C ATOM 1388 NH1 ARG A 85 -6.628 0.057 -19.002 1.00 53.51 N ATOM 1389 NH2 ARG A 85 -5.263 -1.592 -18.201 1.00 41.14 N ATOM 0 H ARG A 85 -2.889 2.683 -15.101 1.00 13.11 H new ATOM 0 HA ARG A 85 -4.905 2.238 -17.069 1.00 62.24 H new ATOM 0 HB2 ARG A 85 -4.686 0.996 -14.911 1.00 2.20 H new ATOM 0 HB3 ARG A 85 -5.033 2.469 -14.027 1.00 2.20 H new ATOM 0 HG2 ARG A 85 -7.000 0.930 -14.175 1.00 11.14 H new ATOM 0 HG3 ARG A 85 -7.327 2.517 -14.842 1.00 11.14 H new ATOM 0 HD2 ARG A 85 -8.210 0.611 -16.251 1.00 74.51 H new ATOM 0 HD3 ARG A 85 -7.154 1.706 -17.120 1.00 74.51 H new ATOM 0 HE ARG A 85 -5.863 -0.706 -15.960 1.00 50.00 H new ATOM 0 HH11 ARG A 85 -7.245 0.852 -18.838 1.00 53.51 H new ATOM 0 HH12 ARG A 85 -6.437 -0.253 -19.955 1.00 53.51 H new ATOM 0 HH21 ARG A 85 -4.822 -2.076 -17.419 1.00 41.14 H new ATOM 0 HH22 ARG A 85 -5.078 -1.894 -19.158 1.00 41.14 H new ATOM 1403 N LEU A 86 -5.179 5.004 -15.219 1.00 5.33 N ATOM 1404 CA LEU A 86 -5.837 6.326 -15.137 1.00 71.50 C ATOM 1405 C LEU A 86 -5.384 7.239 -16.284 1.00 61.21 C ATOM 1406 O LEU A 86 -6.187 8.005 -16.811 1.00 13.34 O ATOM 1407 CB LEU A 86 -5.550 7.000 -13.771 1.00 65.23 C ATOM 1408 CG LEU A 86 -6.148 6.287 -12.521 1.00 15.50 C ATOM 1409 CD1 LEU A 86 -5.683 6.972 -11.223 1.00 21.32 C ATOM 1410 CD2 LEU A 86 -7.692 6.209 -12.601 1.00 21.31 C ATOM 0 H LEU A 86 -4.538 4.814 -14.448 1.00 5.33 H new ATOM 0 HA LEU A 86 -6.912 6.168 -15.228 1.00 71.50 H new ATOM 0 HB2 LEU A 86 -4.470 7.071 -13.643 1.00 65.23 H new ATOM 0 HB3 LEU A 86 -5.935 8.019 -13.803 1.00 65.23 H new ATOM 0 HG LEU A 86 -5.774 5.263 -12.508 1.00 15.50 H new ATOM 0 HD11 LEU A 86 -6.114 6.456 -10.365 1.00 21.32 H new ATOM 0 HD12 LEU A 86 -4.595 6.934 -11.161 1.00 21.32 H new ATOM 0 HD13 LEU A 86 -6.010 8.012 -11.223 1.00 21.32 H new ATOM 0 HD21 LEU A 86 -8.077 5.706 -11.714 1.00 21.31 H new ATOM 0 HD22 LEU A 86 -8.105 7.216 -12.655 1.00 21.31 H new ATOM 0 HD23 LEU A 86 -7.982 5.650 -13.490 1.00 21.31 H new ATOM 1422 N ASP A 87 -4.088 7.126 -16.647 1.00 32.22 N ATOM 1423 CA ASP A 87 -3.480 7.876 -17.761 1.00 62.13 C ATOM 1424 C ASP A 87 -4.112 7.456 -19.099 1.00 63.43 C ATOM 1425 O ASP A 87 -4.445 8.311 -19.920 1.00 21.14 O ATOM 1426 CB ASP A 87 -1.938 7.660 -17.784 1.00 53.04 C ATOM 1427 CG ASP A 87 -1.240 8.324 -18.982 1.00 30.51 C ATOM 1428 OD1 ASP A 87 -0.870 7.617 -19.948 1.00 52.20 O ATOM 1429 OD2 ASP A 87 -1.076 9.557 -18.976 1.00 54.22 O ATOM 0 H ASP A 87 -3.432 6.507 -16.170 1.00 32.22 H new ATOM 0 HA ASP A 87 -3.673 8.938 -17.612 1.00 62.13 H new ATOM 0 HB2 ASP A 87 -1.511 8.054 -16.862 1.00 53.04 H new ATOM 0 HB3 ASP A 87 -1.730 6.590 -17.800 1.00 53.04 H new ATOM 1434 N GLU A 88 -4.271 6.127 -19.292 1.00 50.33 N ATOM 1435 CA GLU A 88 -4.881 5.561 -20.505 1.00 32.52 C ATOM 1436 C GLU A 88 -6.342 6.019 -20.622 1.00 33.23 C ATOM 1437 O GLU A 88 -6.718 6.576 -21.638 1.00 33.01 O ATOM 1438 CB GLU A 88 -4.822 4.017 -20.508 1.00 24.32 C ATOM 1439 CG GLU A 88 -5.400 3.371 -21.785 1.00 71.12 C ATOM 1440 CD GLU A 88 -5.473 1.844 -21.714 1.00 41.02 C ATOM 1441 OE1 GLU A 88 -4.412 1.192 -21.819 1.00 62.53 O ATOM 1442 OE2 GLU A 88 -6.583 1.291 -21.551 1.00 24.14 O ATOM 0 H GLU A 88 -3.980 5.424 -18.612 1.00 50.33 H new ATOM 0 HA GLU A 88 -4.310 5.923 -21.360 1.00 32.52 H new ATOM 0 HB2 GLU A 88 -3.785 3.703 -20.391 1.00 24.32 H new ATOM 0 HB3 GLU A 88 -5.368 3.641 -19.643 1.00 24.32 H new ATOM 0 HG2 GLU A 88 -6.400 3.767 -21.963 1.00 71.12 H new ATOM 0 HG3 GLU A 88 -4.786 3.659 -22.639 1.00 71.12 H new ATOM 1449 N LEU A 89 -7.131 5.785 -19.547 1.00 52.33 N ATOM 1450 CA LEU A 89 -8.555 6.181 -19.450 1.00 2.15 C ATOM 1451 C LEU A 89 -8.734 7.662 -19.830 1.00 50.53 C ATOM 1452 O LEU A 89 -9.491 7.976 -20.740 1.00 24.11 O ATOM 1453 CB LEU A 89 -9.097 5.916 -18.009 1.00 30.21 C ATOM 1454 CG LEU A 89 -9.237 4.415 -17.590 1.00 72.10 C ATOM 1455 CD1 LEU A 89 -9.575 4.281 -16.088 1.00 61.13 C ATOM 1456 CD2 LEU A 89 -10.273 3.681 -18.472 1.00 71.10 C ATOM 0 H LEU A 89 -6.791 5.309 -18.711 1.00 52.33 H new ATOM 0 HA LEU A 89 -9.129 5.576 -20.153 1.00 2.15 H new ATOM 0 HB2 LEU A 89 -8.435 6.410 -17.298 1.00 30.21 H new ATOM 0 HB3 LEU A 89 -10.074 6.390 -17.918 1.00 30.21 H new ATOM 0 HG LEU A 89 -8.272 3.935 -17.751 1.00 72.10 H new ATOM 0 HD11 LEU A 89 -9.666 3.226 -15.828 1.00 61.13 H new ATOM 0 HD12 LEU A 89 -8.781 4.734 -15.495 1.00 61.13 H new ATOM 0 HD13 LEU A 89 -10.517 4.788 -15.880 1.00 61.13 H new ATOM 0 HD21 LEU A 89 -10.348 2.640 -18.156 1.00 71.10 H new ATOM 0 HD22 LEU A 89 -11.245 4.162 -18.368 1.00 71.10 H new ATOM 0 HD23 LEU A 89 -9.957 3.722 -19.515 1.00 71.10 H new ATOM 1468 N SER A 90 -7.958 8.543 -19.179 1.00 10.24 N ATOM 1469 CA SER A 90 -8.023 9.998 -19.403 1.00 12.24 C ATOM 1470 C SER A 90 -7.521 10.372 -20.814 1.00 25.42 C ATOM 1471 O SER A 90 -7.912 11.397 -21.359 1.00 73.42 O ATOM 1472 CB SER A 90 -7.218 10.736 -18.311 1.00 23.44 C ATOM 1473 OG SER A 90 -5.862 10.339 -18.297 1.00 32.42 O ATOM 0 H SER A 90 -7.267 8.267 -18.481 1.00 10.24 H new ATOM 0 HA SER A 90 -9.065 10.311 -19.339 1.00 12.24 H new ATOM 0 HB2 SER A 90 -7.280 11.811 -18.479 1.00 23.44 H new ATOM 0 HB3 SER A 90 -7.664 10.539 -17.336 1.00 23.44 H new ATOM 0 HG SER A 90 -5.774 9.493 -17.811 1.00 32.42 H new ATOM 1479 N SER A 91 -6.647 9.533 -21.390 1.00 2.15 N ATOM 1480 CA SER A 91 -6.165 9.699 -22.773 1.00 53.33 C ATOM 1481 C SER A 91 -7.274 9.330 -23.787 1.00 5.44 C ATOM 1482 O SER A 91 -7.380 9.957 -24.847 1.00 41.22 O ATOM 1483 CB SER A 91 -4.896 8.842 -22.999 1.00 34.43 C ATOM 1484 OG SER A 91 -4.379 8.977 -24.311 1.00 74.13 O ATOM 0 H SER A 91 -6.254 8.722 -20.913 1.00 2.15 H new ATOM 0 HA SER A 91 -5.906 10.746 -22.931 1.00 53.33 H new ATOM 0 HB2 SER A 91 -4.132 9.133 -22.279 1.00 34.43 H new ATOM 0 HB3 SER A 91 -5.130 7.794 -22.810 1.00 34.43 H new ATOM 0 HG SER A 91 -3.579 8.420 -24.406 1.00 74.13 H new ATOM 1490 N LEU A 92 -8.111 8.319 -23.440 1.00 45.52 N ATOM 1491 CA LEU A 92 -9.202 7.838 -24.319 1.00 43.43 C ATOM 1492 C LEU A 92 -10.362 8.850 -24.316 1.00 75.24 C ATOM 1493 O LEU A 92 -10.896 9.217 -25.373 1.00 12.30 O ATOM 1494 CB LEU A 92 -9.726 6.437 -23.865 1.00 3.45 C ATOM 1495 CG LEU A 92 -8.658 5.311 -23.663 1.00 60.31 C ATOM 1496 CD1 LEU A 92 -9.309 3.952 -23.353 1.00 43.41 C ATOM 1497 CD2 LEU A 92 -7.673 5.213 -24.848 1.00 11.33 C ATOM 0 H LEU A 92 -8.048 7.821 -22.552 1.00 45.52 H new ATOM 0 HA LEU A 92 -8.801 7.740 -25.328 1.00 43.43 H new ATOM 0 HB2 LEU A 92 -10.265 6.565 -22.926 1.00 3.45 H new ATOM 0 HB3 LEU A 92 -10.449 6.090 -24.603 1.00 3.45 H new ATOM 0 HG LEU A 92 -8.071 5.597 -22.790 1.00 60.31 H new ATOM 0 HD11 LEU A 92 -8.533 3.199 -23.220 1.00 43.41 H new ATOM 0 HD12 LEU A 92 -9.898 4.031 -22.440 1.00 43.41 H new ATOM 0 HD13 LEU A 92 -9.958 3.662 -24.180 1.00 43.41 H new ATOM 0 HD21 LEU A 92 -6.953 4.417 -24.658 1.00 11.33 H new ATOM 0 HD22 LEU A 92 -8.224 4.993 -25.762 1.00 11.33 H new ATOM 0 HD23 LEU A 92 -7.145 6.160 -24.962 1.00 11.33 H new ATOM 1509 N ILE A 93 -10.714 9.303 -23.100 1.00 33.43 N ATOM 1510 CA ILE A 93 -11.850 10.211 -22.846 1.00 52.54 C ATOM 1511 C ILE A 93 -11.494 11.654 -23.271 1.00 10.02 C ATOM 1512 O ILE A 93 -12.328 12.368 -23.840 1.00 54.35 O ATOM 1513 CB ILE A 93 -12.240 10.169 -21.315 1.00 62.40 C ATOM 1514 CG1 ILE A 93 -12.505 8.697 -20.857 1.00 34.04 C ATOM 1515 CG2 ILE A 93 -13.465 11.068 -21.004 1.00 73.01 C ATOM 1516 CD1 ILE A 93 -12.500 8.489 -19.355 1.00 23.42 C ATOM 0 H ILE A 93 -10.210 9.045 -22.251 1.00 33.43 H new ATOM 0 HA ILE A 93 -12.704 9.880 -23.437 1.00 52.54 H new ATOM 0 HB ILE A 93 -11.396 10.566 -20.752 1.00 62.40 H new ATOM 0 HG12 ILE A 93 -13.469 8.377 -21.251 1.00 34.04 H new ATOM 0 HG13 ILE A 93 -11.748 8.051 -21.302 1.00 34.04 H new ATOM 0 HG21 ILE A 93 -13.699 11.009 -19.941 1.00 73.01 H new ATOM 0 HG22 ILE A 93 -13.235 12.100 -21.269 1.00 73.01 H new ATOM 0 HG23 ILE A 93 -14.323 10.727 -21.583 1.00 73.01 H new ATOM 0 HD11 ILE A 93 -12.692 7.439 -19.132 1.00 23.42 H new ATOM 0 HD12 ILE A 93 -11.528 8.774 -18.952 1.00 23.42 H new ATOM 0 HD13 ILE A 93 -13.276 9.104 -18.900 1.00 23.42 H new ATOM 1528 N GLY A 94 -10.233 12.054 -23.014 1.00 44.24 N ATOM 1529 CA GLY A 94 -9.751 13.413 -23.311 1.00 53.04 C ATOM 1530 C GLY A 94 -9.690 14.300 -22.068 1.00 31.52 C ATOM 1531 O GLY A 94 -9.902 15.510 -22.152 1.00 44.23 O ATOM 0 H GLY A 94 -9.526 11.448 -22.598 1.00 44.24 H new ATOM 0 HA2 GLY A 94 -8.759 13.353 -23.759 1.00 53.04 H new ATOM 0 HA3 GLY A 94 -10.407 13.874 -24.050 1.00 53.04 H new ATOM 1535 N GLN A 95 -9.413 13.668 -20.913 1.00 24.11 N ATOM 1536 CA GLN A 95 -9.254 14.331 -19.598 1.00 21.15 C ATOM 1537 C GLN A 95 -7.778 14.706 -19.309 1.00 55.13 C ATOM 1538 O GLN A 95 -7.497 15.424 -18.338 1.00 54.14 O ATOM 1539 CB GLN A 95 -9.777 13.390 -18.490 1.00 12.21 C ATOM 1540 CG GLN A 95 -11.253 12.989 -18.637 1.00 43.30 C ATOM 1541 CD GLN A 95 -11.705 11.925 -17.632 1.00 62.23 C ATOM 1542 OE1 GLN A 95 -10.926 11.066 -17.216 1.00 24.15 O ATOM 1543 NE2 GLN A 95 -12.966 11.975 -17.241 1.00 2.34 N ATOM 0 H GLN A 95 -9.290 12.657 -20.863 1.00 24.11 H new ATOM 0 HA GLN A 95 -9.829 15.257 -19.616 1.00 21.15 H new ATOM 0 HB2 GLN A 95 -9.168 12.486 -18.481 1.00 12.21 H new ATOM 0 HB3 GLN A 95 -9.640 13.876 -17.524 1.00 12.21 H new ATOM 0 HG2 GLN A 95 -11.875 13.876 -18.518 1.00 43.30 H new ATOM 0 HG3 GLN A 95 -11.420 12.616 -19.647 1.00 43.30 H new ATOM 0 HE21 GLN A 95 -13.585 12.700 -17.605 1.00 2.34 H new ATOM 0 HE22 GLN A 95 -13.321 11.289 -16.575 1.00 2.34 H new ATOM 1552 N VAL A 96 -6.846 14.162 -20.117 1.00 54.24 N ATOM 1553 CA VAL A 96 -5.422 14.565 -20.090 1.00 24.21 C ATOM 1554 C VAL A 96 -5.268 16.018 -20.580 1.00 2.20 C ATOM 1555 O VAL A 96 -5.978 16.449 -21.490 1.00 5.31 O ATOM 1556 CB VAL A 96 -4.509 13.625 -20.980 1.00 74.31 C ATOM 1557 CG1 VAL A 96 -4.291 12.245 -20.318 1.00 23.14 C ATOM 1558 CG2 VAL A 96 -5.091 13.470 -22.410 1.00 23.25 C ATOM 0 H VAL A 96 -7.055 13.436 -20.802 1.00 54.24 H new ATOM 0 HA VAL A 96 -5.093 14.476 -19.055 1.00 24.21 H new ATOM 0 HB VAL A 96 -3.534 14.105 -21.062 1.00 74.31 H new ATOM 0 HG11 VAL A 96 -3.660 11.630 -20.959 1.00 23.14 H new ATOM 0 HG12 VAL A 96 -3.806 12.378 -19.351 1.00 23.14 H new ATOM 0 HG13 VAL A 96 -5.253 11.753 -20.176 1.00 23.14 H new ATOM 0 HG21 VAL A 96 -4.443 12.820 -22.998 1.00 23.25 H new ATOM 0 HG22 VAL A 96 -6.088 13.033 -22.352 1.00 23.25 H new ATOM 0 HG23 VAL A 96 -5.151 14.449 -22.886 1.00 23.25 H new ATOM 1568 N LEU A 97 -4.364 16.773 -19.945 1.00 54.11 N ATOM 1569 CA LEU A 97 -3.981 18.127 -20.401 1.00 2.11 C ATOM 1570 C LEU A 97 -2.547 18.099 -20.951 1.00 73.03 C ATOM 1571 O LEU A 97 -1.825 17.100 -20.803 1.00 11.22 O ATOM 1572 CB LEU A 97 -4.141 19.196 -19.272 1.00 51.40 C ATOM 1573 CG LEU A 97 -5.604 19.643 -18.921 1.00 73.12 C ATOM 1574 CD1 LEU A 97 -6.360 20.091 -20.189 1.00 21.32 C ATOM 1575 CD2 LEU A 97 -6.382 18.557 -18.136 1.00 71.13 C ATOM 0 H LEU A 97 -3.875 16.470 -19.103 1.00 54.11 H new ATOM 0 HA LEU A 97 -4.661 18.424 -21.200 1.00 2.11 H new ATOM 0 HB2 LEU A 97 -3.679 18.804 -18.366 1.00 51.40 H new ATOM 0 HB3 LEU A 97 -3.575 20.082 -19.561 1.00 51.40 H new ATOM 0 HG LEU A 97 -5.530 20.503 -18.255 1.00 73.12 H new ATOM 0 HD11 LEU A 97 -7.371 20.396 -19.921 1.00 21.32 H new ATOM 0 HD12 LEU A 97 -5.837 20.931 -20.647 1.00 21.32 H new ATOM 0 HD13 LEU A 97 -6.406 19.263 -20.897 1.00 21.32 H new ATOM 0 HD21 LEU A 97 -7.388 18.916 -17.918 1.00 71.13 H new ATOM 0 HD22 LEU A 97 -6.443 17.648 -18.735 1.00 71.13 H new ATOM 0 HD23 LEU A 97 -5.863 18.342 -17.202 1.00 71.13 H new ATOM 1587 N PHE A 98 -2.147 19.219 -21.571 1.00 3.34 N ATOM 1588 CA PHE A 98 -0.892 19.330 -22.351 1.00 33.53 C ATOM 1589 C PHE A 98 0.337 19.538 -21.436 1.00 14.44 C ATOM 1590 O PHE A 98 1.481 19.493 -21.904 1.00 42.02 O ATOM 1591 CB PHE A 98 -1.013 20.495 -23.377 1.00 52.11 C ATOM 1592 CG PHE A 98 -2.262 20.415 -24.264 1.00 11.12 C ATOM 1593 CD1 PHE A 98 -3.491 20.914 -23.815 1.00 34.12 C ATOM 1594 CD2 PHE A 98 -2.217 19.829 -25.529 1.00 71.40 C ATOM 1595 CE1 PHE A 98 -4.618 20.839 -24.600 1.00 42.34 C ATOM 1596 CE2 PHE A 98 -3.352 19.758 -26.317 1.00 21.23 C ATOM 1597 CZ PHE A 98 -4.553 20.257 -25.847 1.00 4.23 C ATOM 0 H PHE A 98 -2.686 20.085 -21.549 1.00 3.34 H new ATOM 0 HA PHE A 98 -0.741 18.392 -22.884 1.00 33.53 H new ATOM 0 HB2 PHE A 98 -1.023 21.442 -22.837 1.00 52.11 H new ATOM 0 HB3 PHE A 98 -0.128 20.500 -24.013 1.00 52.11 H new ATOM 0 HD1 PHE A 98 -3.555 21.365 -22.836 1.00 34.12 H new ATOM 0 HD2 PHE A 98 -1.285 19.426 -25.898 1.00 71.40 H new ATOM 0 HE1 PHE A 98 -5.555 21.237 -24.238 1.00 42.34 H new ATOM 0 HE2 PHE A 98 -3.300 19.313 -27.300 1.00 21.23 H new ATOM 0 HZ PHE A 98 -5.441 20.190 -26.458 1.00 4.23 H new ATOM 1607 N GLN A 99 0.079 19.769 -20.133 1.00 63.42 N ATOM 1608 CA GLN A 99 1.119 19.912 -19.094 1.00 1.15 C ATOM 1609 C GLN A 99 0.810 18.944 -17.936 1.00 5.14 C ATOM 1610 O GLN A 99 -0.359 18.748 -17.579 1.00 14.51 O ATOM 1611 CB GLN A 99 1.182 21.385 -18.589 1.00 54.23 C ATOM 1612 CG GLN A 99 2.229 21.658 -17.476 1.00 51.44 C ATOM 1613 CD GLN A 99 3.671 21.336 -17.901 1.00 54.32 C ATOM 1614 OE1 GLN A 99 4.156 20.220 -17.716 1.00 41.23 O ATOM 1615 NE2 GLN A 99 4.365 22.312 -18.455 1.00 31.04 N ATOM 0 H GLN A 99 -0.869 19.863 -19.768 1.00 63.42 H new ATOM 0 HA GLN A 99 2.094 19.664 -19.514 1.00 1.15 H new ATOM 0 HB2 GLN A 99 1.400 22.034 -19.437 1.00 54.23 H new ATOM 0 HB3 GLN A 99 0.197 21.667 -18.216 1.00 54.23 H new ATOM 0 HG2 GLN A 99 2.170 22.706 -17.182 1.00 51.44 H new ATOM 0 HG3 GLN A 99 1.976 21.065 -16.597 1.00 51.44 H new ATOM 0 HE21 GLN A 99 3.936 23.227 -18.596 1.00 31.04 H new ATOM 0 HE22 GLN A 99 5.330 22.152 -18.743 1.00 31.04 H new ATOM 1624 N GLY A 100 1.874 18.340 -17.374 1.00 3.23 N ATOM 1625 CA GLY A 100 1.775 17.440 -16.219 1.00 15.13 C ATOM 1626 C GLY A 100 1.623 15.967 -16.620 1.00 31.34 C ATOM 1627 O GLY A 100 0.765 15.655 -17.454 1.00 5.30 O ATOM 0 H GLY A 100 2.828 18.466 -17.713 1.00 3.23 H new ATOM 0 HA2 GLY A 100 2.665 17.553 -15.600 1.00 15.13 H new ATOM 0 HA3 GLY A 100 0.922 17.735 -15.608 1.00 15.13 H new ATOM 1631 N PRO A 101 2.455 15.023 -16.056 1.00 42.24 N ATOM 1632 CA PRO A 101 2.294 13.566 -16.300 1.00 53.23 C ATOM 1633 C PRO A 101 1.065 12.999 -15.539 1.00 44.43 C ATOM 1634 O PRO A 101 0.413 12.058 -15.998 1.00 64.15 O ATOM 1635 CB PRO A 101 3.637 12.975 -15.788 1.00 34.40 C ATOM 1636 CG PRO A 101 4.094 13.930 -14.717 1.00 24.32 C ATOM 1637 CD PRO A 101 3.619 15.308 -15.165 1.00 34.32 C ATOM 0 HA PRO A 101 2.102 13.317 -17.344 1.00 53.23 H new ATOM 0 HB2 PRO A 101 3.500 11.970 -15.390 1.00 34.40 H new ATOM 0 HB3 PRO A 101 4.369 12.902 -16.592 1.00 34.40 H new ATOM 0 HG2 PRO A 101 3.670 13.665 -13.749 1.00 24.32 H new ATOM 0 HG3 PRO A 101 5.178 13.906 -14.607 1.00 24.32 H new ATOM 0 HD2 PRO A 101 3.328 15.925 -14.315 1.00 34.32 H new ATOM 0 HD3 PRO A 101 4.404 15.847 -15.696 1.00 34.32 H new ATOM 1645 N SER A 102 0.785 13.606 -14.372 1.00 62.04 N ATOM 1646 CA SER A 102 -0.414 13.355 -13.576 1.00 34.10 C ATOM 1647 C SER A 102 -0.771 14.664 -12.848 1.00 34.24 C ATOM 1648 O SER A 102 -1.647 15.383 -13.305 1.00 24.23 O ATOM 1649 CB SER A 102 -0.200 12.166 -12.599 1.00 34.24 C ATOM 1650 OG SER A 102 0.973 12.343 -11.816 1.00 73.01 O ATOM 0 H SER A 102 1.405 14.299 -13.953 1.00 62.04 H new ATOM 0 HA SER A 102 -1.247 13.061 -14.214 1.00 34.10 H new ATOM 0 HB2 SER A 102 -1.066 12.071 -11.944 1.00 34.24 H new ATOM 0 HB3 SER A 102 -0.125 11.237 -13.165 1.00 34.24 H new ATOM 0 HG SER A 102 1.080 11.580 -11.210 1.00 73.01 H new ATOM 1656 N ALA A 103 -0.017 14.999 -11.772 1.00 73.44 N ATOM 1657 CA ALA A 103 -0.206 16.223 -10.959 1.00 50.52 C ATOM 1658 C ALA A 103 -1.672 16.386 -10.472 1.00 2.21 C ATOM 1659 O ALA A 103 -2.008 15.975 -9.358 1.00 30.40 O ATOM 1660 CB ALA A 103 0.316 17.475 -11.705 1.00 25.41 C ATOM 0 H ALA A 103 0.751 14.416 -11.441 1.00 73.44 H new ATOM 0 HA ALA A 103 0.396 16.113 -10.057 1.00 50.52 H new ATOM 0 HB1 ALA A 103 0.164 18.358 -11.084 1.00 25.41 H new ATOM 0 HB2 ALA A 103 1.379 17.357 -11.914 1.00 25.41 H new ATOM 0 HB3 ALA A 103 -0.227 17.593 -12.643 1.00 25.41 H new ATOM 1666 N GLY A 104 -2.533 16.944 -11.344 1.00 54.23 N ATOM 1667 CA GLY A 104 -3.950 17.135 -11.054 1.00 34.51 C ATOM 1668 C GLY A 104 -4.790 17.149 -12.330 1.00 42.42 C ATOM 1669 O GLY A 104 -5.692 17.987 -12.480 1.00 12.25 O ATOM 0 H GLY A 104 -2.256 17.273 -12.269 1.00 54.23 H new ATOM 0 HA2 GLY A 104 -4.298 16.337 -10.398 1.00 34.51 H new ATOM 0 HA3 GLY A 104 -4.088 18.073 -10.517 1.00 34.51 H new ATOM 1673 N LEU A 105 -4.487 16.206 -13.259 1.00 3.43 N ATOM 1674 CA LEU A 105 -5.280 16.001 -14.496 1.00 12.21 C ATOM 1675 C LEU A 105 -6.657 15.398 -14.157 1.00 41.24 C ATOM 1676 O LEU A 105 -6.910 15.031 -12.997 1.00 64.51 O ATOM 1677 CB LEU A 105 -4.534 15.081 -15.519 1.00 33.22 C ATOM 1678 CG LEU A 105 -3.138 15.569 -16.018 1.00 24.51 C ATOM 1679 CD1 LEU A 105 -2.566 14.640 -17.112 1.00 30.11 C ATOM 1680 CD2 LEU A 105 -3.179 17.036 -16.486 1.00 32.02 C ATOM 0 H LEU A 105 -3.693 15.572 -13.172 1.00 3.43 H new ATOM 0 HA LEU A 105 -5.417 16.978 -14.961 1.00 12.21 H new ATOM 0 HB2 LEU A 105 -4.407 14.099 -15.063 1.00 33.22 H new ATOM 0 HB3 LEU A 105 -5.178 14.948 -16.388 1.00 33.22 H new ATOM 0 HG LEU A 105 -2.460 15.522 -15.166 1.00 24.51 H new ATOM 0 HD11 LEU A 105 -1.594 15.013 -17.434 1.00 30.11 H new ATOM 0 HD12 LEU A 105 -2.454 13.632 -16.712 1.00 30.11 H new ATOM 0 HD13 LEU A 105 -3.246 14.619 -17.963 1.00 30.11 H new ATOM 0 HD21 LEU A 105 -2.188 17.337 -16.826 1.00 32.02 H new ATOM 0 HD22 LEU A 105 -3.890 17.137 -17.306 1.00 32.02 H new ATOM 0 HD23 LEU A 105 -3.488 17.674 -15.658 1.00 32.02 H new ATOM 1692 N VAL A 106 -7.509 15.269 -15.195 1.00 64.41 N ATOM 1693 CA VAL A 106 -8.921 14.848 -15.079 1.00 71.11 C ATOM 1694 C VAL A 106 -9.751 15.970 -14.408 1.00 25.33 C ATOM 1695 O VAL A 106 -9.709 16.122 -13.175 1.00 73.34 O ATOM 1696 CB VAL A 106 -9.130 13.462 -14.333 1.00 24.22 C ATOM 1697 CG1 VAL A 106 -10.632 13.079 -14.263 1.00 62.21 C ATOM 1698 CG2 VAL A 106 -8.295 12.334 -14.995 1.00 45.25 C ATOM 0 H VAL A 106 -7.229 15.459 -16.157 1.00 64.41 H new ATOM 0 HA VAL A 106 -9.276 14.680 -16.096 1.00 71.11 H new ATOM 0 HB VAL A 106 -8.772 13.583 -13.311 1.00 24.22 H new ATOM 0 HG11 VAL A 106 -10.741 12.125 -13.746 1.00 62.21 H new ATOM 0 HG12 VAL A 106 -11.179 13.850 -13.720 1.00 62.21 H new ATOM 0 HG13 VAL A 106 -11.033 12.992 -15.273 1.00 62.21 H new ATOM 0 HG21 VAL A 106 -8.460 11.398 -14.461 1.00 45.25 H new ATOM 0 HG22 VAL A 106 -8.601 12.217 -16.035 1.00 45.25 H new ATOM 0 HG23 VAL A 106 -7.237 12.593 -14.955 1.00 45.25 H new ATOM 1708 N PRO A 107 -10.479 16.816 -15.219 1.00 61.12 N ATOM 1709 CA PRO A 107 -11.426 17.822 -14.685 1.00 60.01 C ATOM 1710 C PRO A 107 -12.571 17.132 -13.910 1.00 43.20 C ATOM 1711 O PRO A 107 -13.370 16.393 -14.498 1.00 34.42 O ATOM 1712 CB PRO A 107 -11.938 18.559 -15.956 1.00 25.40 C ATOM 1713 CG PRO A 107 -10.915 18.261 -17.016 1.00 70.51 C ATOM 1714 CD PRO A 107 -10.415 16.868 -16.706 1.00 72.11 C ATOM 0 HA PRO A 107 -10.972 18.510 -13.972 1.00 60.01 H new ATOM 0 HB2 PRO A 107 -12.925 18.202 -16.249 1.00 25.40 H new ATOM 0 HB3 PRO A 107 -12.026 19.631 -15.782 1.00 25.40 H new ATOM 0 HG2 PRO A 107 -11.355 18.309 -18.012 1.00 70.51 H new ATOM 0 HG3 PRO A 107 -10.101 18.986 -16.992 1.00 70.51 H new ATOM 0 HD2 PRO A 107 -11.041 16.103 -17.165 1.00 72.11 H new ATOM 0 HD3 PRO A 107 -9.400 16.712 -17.073 1.00 72.11 H new ATOM 1722 N ARG A 108 -12.613 17.358 -12.590 1.00 1.31 N ATOM 1723 CA ARG A 108 -13.562 16.692 -11.690 1.00 14.30 C ATOM 1724 C ARG A 108 -14.997 17.210 -11.904 1.00 51.53 C ATOM 1725 O ARG A 108 -15.278 18.388 -11.662 1.00 61.44 O ATOM 1726 CB ARG A 108 -13.122 16.880 -10.214 1.00 32.05 C ATOM 1727 CG ARG A 108 -11.818 16.138 -9.836 1.00 73.53 C ATOM 1728 CD ARG A 108 -11.495 16.256 -8.336 1.00 53.30 C ATOM 1729 NE ARG A 108 -12.593 15.719 -7.498 1.00 71.45 N ATOM 1730 CZ ARG A 108 -13.115 16.315 -6.411 1.00 52.33 C ATOM 1731 NH1 ARG A 108 -12.660 17.490 -5.991 1.00 0.42 N ATOM 1732 NH2 ARG A 108 -14.106 15.731 -5.761 1.00 55.20 N ATOM 0 H ARG A 108 -11.988 18.010 -12.116 1.00 1.31 H new ATOM 0 HA ARG A 108 -13.560 15.627 -11.923 1.00 14.30 H new ATOM 0 HB2 ARG A 108 -12.989 17.944 -10.020 1.00 32.05 H new ATOM 0 HB3 ARG A 108 -13.924 16.535 -9.562 1.00 32.05 H new ATOM 0 HG2 ARG A 108 -11.910 15.086 -10.104 1.00 73.53 H new ATOM 0 HG3 ARG A 108 -10.990 16.544 -10.417 1.00 73.53 H new ATOM 0 HD2 ARG A 108 -10.573 15.717 -8.118 1.00 53.30 H new ATOM 0 HD3 ARG A 108 -11.320 17.301 -8.082 1.00 53.30 H new ATOM 0 HE ARG A 108 -12.988 14.818 -7.769 1.00 71.45 H new ATOM 0 HH11 ARG A 108 -11.904 17.954 -6.495 1.00 0.42 H new ATOM 0 HH12 ARG A 108 -13.067 17.929 -5.165 1.00 0.42 H new ATOM 0 HH21 ARG A 108 -14.470 14.835 -6.084 1.00 55.20 H new ATOM 0 HH22 ARG A 108 -14.507 16.177 -4.936 1.00 55.20 H new ATOM 1746 N GLY A 109 -15.882 16.311 -12.383 1.00 13.53 N ATOM 1747 CA GLY A 109 -17.302 16.609 -12.569 1.00 5.11 C ATOM 1748 C GLY A 109 -18.084 16.485 -11.264 1.00 0.24 C ATOM 1749 O GLY A 109 -18.042 17.401 -10.434 1.00 55.42 O ATOM 0 H GLY A 109 -15.624 15.361 -12.649 1.00 13.53 H new ATOM 0 HA2 GLY A 109 -17.413 17.619 -12.964 1.00 5.11 H new ATOM 0 HA3 GLY A 109 -17.722 15.929 -13.310 1.00 5.11 H new ATOM 1753 N SER A 110 -18.764 15.333 -11.067 1.00 73.43 N ATOM 1754 CA SER A 110 -19.608 15.089 -9.878 1.00 23.23 C ATOM 1755 C SER A 110 -19.870 13.572 -9.685 1.00 4.12 C ATOM 1756 O SER A 110 -20.806 13.007 -10.270 1.00 70.31 O ATOM 1757 CB SER A 110 -20.937 15.889 -10.000 1.00 3.24 C ATOM 1758 OG SER A 110 -21.554 15.668 -11.261 1.00 2.42 O ATOM 0 H SER A 110 -18.743 14.552 -11.723 1.00 73.43 H new ATOM 0 HA SER A 110 -19.079 15.438 -8.991 1.00 23.23 H new ATOM 0 HB2 SER A 110 -21.618 15.593 -9.202 1.00 3.24 H new ATOM 0 HB3 SER A 110 -20.738 16.953 -9.871 1.00 3.24 H new ATOM 0 HG SER A 110 -21.591 14.706 -11.443 1.00 2.42 H new ATOM 1764 N GLY A 111 -18.995 12.921 -8.890 1.00 4.45 N ATOM 1765 CA GLY A 111 -19.133 11.500 -8.534 1.00 31.25 C ATOM 1766 C GLY A 111 -18.841 10.537 -9.690 1.00 33.24 C ATOM 1767 O GLY A 111 -18.464 10.963 -10.792 1.00 60.21 O ATOM 0 H GLY A 111 -18.175 13.368 -8.479 1.00 4.45 H new ATOM 0 HA2 GLY A 111 -18.458 11.276 -7.708 1.00 31.25 H new ATOM 0 HA3 GLY A 111 -20.147 11.323 -8.174 1.00 31.25 H new ATOM 1771 N GLY A 112 -19.017 9.229 -9.417 1.00 22.31 N ATOM 1772 CA GLY A 112 -18.801 8.168 -10.405 1.00 31.42 C ATOM 1773 C GLY A 112 -17.348 8.066 -10.844 1.00 33.42 C ATOM 1774 O GLY A 112 -16.480 7.753 -10.029 1.00 51.02 O ATOM 0 H GLY A 112 -19.313 8.884 -8.504 1.00 22.31 H new ATOM 0 HA2 GLY A 112 -19.117 7.214 -9.983 1.00 31.42 H new ATOM 0 HA3 GLY A 112 -19.428 8.355 -11.277 1.00 31.42 H new ATOM 1778 N ILE A 113 -17.091 8.369 -12.131 1.00 42.14 N ATOM 1779 CA ILE A 113 -15.730 8.410 -12.703 1.00 43.13 C ATOM 1780 C ILE A 113 -14.865 9.500 -12.024 1.00 2.41 C ATOM 1781 O ILE A 113 -13.652 9.315 -11.842 1.00 3.02 O ATOM 1782 CB ILE A 113 -15.786 8.640 -14.266 1.00 1.52 C ATOM 1783 CG1 ILE A 113 -14.355 8.689 -14.892 1.00 4.41 C ATOM 1784 CG2 ILE A 113 -16.610 9.900 -14.629 1.00 45.52 C ATOM 1785 CD1 ILE A 113 -14.319 8.890 -16.394 1.00 11.34 C ATOM 0 H ILE A 113 -17.823 8.593 -12.805 1.00 42.14 H new ATOM 0 HA ILE A 113 -15.262 7.444 -12.512 1.00 43.13 H new ATOM 0 HB ILE A 113 -16.300 7.782 -14.700 1.00 1.52 H new ATOM 0 HG12 ILE A 113 -13.795 9.496 -14.419 1.00 4.41 H new ATOM 0 HG13 ILE A 113 -13.838 7.760 -14.652 1.00 4.41 H new ATOM 0 HG21 ILE A 113 -16.626 10.025 -15.712 1.00 45.52 H new ATOM 0 HG22 ILE A 113 -17.630 9.786 -14.262 1.00 45.52 H new ATOM 0 HG23 ILE A 113 -16.155 10.777 -14.169 1.00 45.52 H new ATOM 0 HD11 ILE A 113 -13.283 8.910 -16.734 1.00 11.34 H new ATOM 0 HD12 ILE A 113 -14.845 8.071 -16.883 1.00 11.34 H new ATOM 0 HD13 ILE A 113 -14.802 9.834 -16.646 1.00 11.34 H new ATOM 1797 N GLU A 114 -15.518 10.618 -11.636 1.00 20.42 N ATOM 1798 CA GLU A 114 -14.876 11.712 -10.893 1.00 64.13 C ATOM 1799 C GLU A 114 -14.338 11.175 -9.563 1.00 1.14 C ATOM 1800 O GLU A 114 -13.174 11.405 -9.219 1.00 43.11 O ATOM 1801 CB GLU A 114 -15.894 12.873 -10.668 1.00 25.22 C ATOM 1802 CG GLU A 114 -15.370 14.111 -9.894 1.00 3.10 C ATOM 1803 CD GLU A 114 -15.626 14.100 -8.375 1.00 34.45 C ATOM 1804 OE1 GLU A 114 -16.675 14.606 -7.937 1.00 52.33 O ATOM 1805 OE2 GLU A 114 -14.784 13.592 -7.609 1.00 2.14 O ATOM 0 H GLU A 114 -16.505 10.782 -11.832 1.00 20.42 H new ATOM 0 HA GLU A 114 -14.039 12.110 -11.468 1.00 64.13 H new ATOM 0 HB2 GLU A 114 -16.253 13.206 -11.642 1.00 25.22 H new ATOM 0 HB3 GLU A 114 -16.754 12.474 -10.131 1.00 25.22 H new ATOM 0 HG2 GLU A 114 -14.297 14.196 -10.063 1.00 3.10 H new ATOM 0 HG3 GLU A 114 -15.831 15.004 -10.316 1.00 3.10 H new ATOM 1812 N GLY A 115 -15.213 10.439 -8.844 1.00 50.24 N ATOM 1813 CA GLY A 115 -14.868 9.839 -7.562 1.00 22.12 C ATOM 1814 C GLY A 115 -13.720 8.843 -7.683 1.00 1.54 C ATOM 1815 O GLY A 115 -12.777 8.874 -6.883 1.00 73.20 O ATOM 0 H GLY A 115 -16.170 10.252 -9.144 1.00 50.24 H new ATOM 0 HA2 GLY A 115 -14.593 10.624 -6.858 1.00 22.12 H new ATOM 0 HA3 GLY A 115 -15.743 9.335 -7.152 1.00 22.12 H new ATOM 1819 N MET A1001 -13.795 7.988 -8.727 1.00 14.40 N ATOM 1820 CA MET A1001 -12.774 6.973 -9.033 1.00 32.51 C ATOM 1821 C MET A1001 -11.393 7.614 -9.183 1.00 75.24 C ATOM 1822 O MET A1001 -10.448 7.225 -8.499 1.00 61.40 O ATOM 1823 CB MET A1001 -13.133 6.215 -10.344 1.00 11.31 C ATOM 1824 CG MET A1001 -12.117 5.126 -10.756 1.00 23.52 C ATOM 1825 SD MET A1001 -12.405 4.471 -12.417 1.00 43.32 S ATOM 1826 CE MET A1001 -12.039 5.898 -13.449 1.00 15.24 C ATOM 0 H MET A1001 -14.575 7.987 -9.384 1.00 14.40 H new ATOM 0 HA MET A1001 -12.749 6.268 -8.202 1.00 32.51 H new ATOM 0 HB2 MET A1001 -14.113 5.753 -10.224 1.00 11.31 H new ATOM 0 HB3 MET A1001 -13.219 6.939 -11.155 1.00 11.31 H new ATOM 0 HG2 MET A1001 -11.110 5.541 -10.706 1.00 23.52 H new ATOM 0 HG3 MET A1001 -12.161 4.308 -10.037 1.00 23.52 H new ATOM 0 HE1 MET A1001 -12.278 5.667 -14.487 1.00 15.24 H new ATOM 0 HE2 MET A1001 -12.636 6.748 -13.119 1.00 15.24 H new ATOM 0 HE3 MET A1001 -10.980 6.145 -13.367 1.00 15.24 H new ATOM 1836 N THR A1002 -11.312 8.629 -10.062 1.00 2.42 N ATOM 1837 CA THR A1002 -10.045 9.265 -10.430 1.00 73.44 C ATOM 1838 C THR A1002 -9.439 10.038 -9.256 1.00 44.35 C ATOM 1839 O THR A1002 -8.265 9.853 -8.964 1.00 42.33 O ATOM 1840 CB THR A1002 -10.201 10.205 -11.670 1.00 51.40 C ATOM 1841 OG1 THR A1002 -11.295 11.113 -11.462 1.00 74.32 O ATOM 1842 CG2 THR A1002 -10.424 9.402 -12.963 1.00 72.43 C ATOM 0 H THR A1002 -12.124 9.027 -10.534 1.00 2.42 H new ATOM 0 HA THR A1002 -9.363 8.459 -10.700 1.00 73.44 H new ATOM 0 HB THR A1002 -9.275 10.769 -11.782 1.00 51.40 H new ATOM 0 HG1 THR A1002 -12.140 10.657 -11.657 1.00 74.32 H new ATOM 0 HG21 THR A1002 -10.528 10.088 -13.804 1.00 72.43 H new ATOM 0 HG22 THR A1002 -9.572 8.744 -13.134 1.00 72.43 H new ATOM 0 HG23 THR A1002 -11.330 8.804 -12.868 1.00 72.43 H new ATOM 1850 N THR A1003 -10.249 10.878 -8.570 1.00 4.10 N ATOM 1851 CA THR A1003 -9.747 11.712 -7.463 1.00 24.21 C ATOM 1852 C THR A1003 -9.250 10.845 -6.283 1.00 51.32 C ATOM 1853 O THR A1003 -8.196 11.138 -5.700 1.00 31.42 O ATOM 1854 CB THR A1003 -10.797 12.769 -6.973 1.00 75.25 C ATOM 1855 OG1 THR A1003 -10.176 13.689 -6.055 1.00 13.04 O ATOM 1856 CG2 THR A1003 -12.025 12.140 -6.293 1.00 53.12 C ATOM 0 H THR A1003 -11.244 10.993 -8.764 1.00 4.10 H new ATOM 0 HA THR A1003 -8.899 12.269 -7.862 1.00 24.21 H new ATOM 0 HB THR A1003 -11.149 13.286 -7.866 1.00 75.25 H new ATOM 0 HG1 THR A1003 -10.837 14.347 -5.754 1.00 13.04 H new ATOM 0 HG21 THR A1003 -12.710 12.927 -5.979 1.00 53.12 H new ATOM 0 HG22 THR A1003 -12.531 11.478 -6.996 1.00 53.12 H new ATOM 0 HG23 THR A1003 -11.705 11.568 -5.422 1.00 53.12 H new ATOM 1864 N ARG A1004 -9.991 9.755 -5.974 1.00 64.41 N ATOM 1865 CA ARG A1004 -9.626 8.839 -4.880 1.00 31.55 C ATOM 1866 C ARG A1004 -8.370 8.039 -5.239 1.00 31.31 C ATOM 1867 O ARG A1004 -7.510 7.835 -4.382 1.00 21.03 O ATOM 1868 CB ARG A1004 -10.797 7.887 -4.520 1.00 61.54 C ATOM 1869 CG ARG A1004 -11.996 8.597 -3.858 1.00 15.43 C ATOM 1870 CD ARG A1004 -13.062 7.624 -3.338 1.00 3.11 C ATOM 1871 NE ARG A1004 -14.261 8.339 -2.858 1.00 63.00 N ATOM 1872 CZ ARG A1004 -14.843 8.205 -1.652 1.00 45.13 C ATOM 1873 NH1 ARG A1004 -14.357 7.376 -0.735 1.00 0.04 N ATOM 1874 NH2 ARG A1004 -15.941 8.890 -1.385 1.00 3.14 N ATOM 0 H ARG A1004 -10.843 9.493 -6.469 1.00 64.41 H new ATOM 0 HA ARG A1004 -9.410 9.446 -4.000 1.00 31.55 H new ATOM 0 HB2 ARG A1004 -11.138 7.387 -5.426 1.00 61.54 H new ATOM 0 HB3 ARG A1004 -10.429 7.112 -3.848 1.00 61.54 H new ATOM 0 HG2 ARG A1004 -11.636 9.208 -3.030 1.00 15.43 H new ATOM 0 HG3 ARG A1004 -12.453 9.274 -4.580 1.00 15.43 H new ATOM 0 HD2 ARG A1004 -13.343 6.933 -4.132 1.00 3.11 H new ATOM 0 HD3 ARG A1004 -12.645 7.026 -2.528 1.00 3.11 H new ATOM 0 HE ARG A1004 -14.691 9.000 -3.505 1.00 63.00 H new ATOM 0 HH11 ARG A1004 -13.524 6.823 -0.938 1.00 0.04 H new ATOM 0 HH12 ARG A1004 -14.817 7.292 0.172 1.00 0.04 H new ATOM 0 HH21 ARG A1004 -16.338 9.512 -2.089 1.00 3.14 H new ATOM 0 HH22 ARG A1004 -16.391 8.797 -0.475 1.00 3.14 H new ATOM 1888 N LEU A1005 -8.268 7.614 -6.521 1.00 63.44 N ATOM 1889 CA LEU A1005 -7.116 6.836 -7.016 1.00 71.45 C ATOM 1890 C LEU A1005 -5.869 7.713 -7.267 1.00 24.33 C ATOM 1891 O LEU A1005 -4.771 7.183 -7.266 1.00 30.22 O ATOM 1892 CB LEU A1005 -7.465 6.002 -8.283 1.00 50.33 C ATOM 1893 CG LEU A1005 -8.309 4.708 -8.064 1.00 2.44 C ATOM 1894 CD1 LEU A1005 -8.591 3.992 -9.404 1.00 64.23 C ATOM 1895 CD2 LEU A1005 -7.635 3.751 -7.049 1.00 4.40 C ATOM 0 H LEU A1005 -8.976 7.800 -7.231 1.00 63.44 H new ATOM 0 HA LEU A1005 -6.869 6.138 -6.216 1.00 71.45 H new ATOM 0 HB2 LEU A1005 -8.006 6.647 -8.976 1.00 50.33 H new ATOM 0 HB3 LEU A1005 -6.532 5.720 -8.772 1.00 50.33 H new ATOM 0 HG LEU A1005 -9.266 5.012 -7.639 1.00 2.44 H new ATOM 0 HD11 LEU A1005 -9.181 3.094 -9.220 1.00 64.23 H new ATOM 0 HD12 LEU A1005 -9.144 4.660 -10.064 1.00 64.23 H new ATOM 0 HD13 LEU A1005 -7.647 3.716 -9.875 1.00 64.23 H new ATOM 0 HD21 LEU A1005 -8.252 2.861 -6.923 1.00 4.40 H new ATOM 0 HD22 LEU A1005 -6.652 3.461 -7.420 1.00 4.40 H new ATOM 0 HD23 LEU A1005 -7.526 4.256 -6.089 1.00 4.40 H new ATOM 1907 N THR A1006 -6.025 9.034 -7.482 1.00 74.04 N ATOM 1908 CA THR A1006 -4.866 9.952 -7.633 1.00 4.45 C ATOM 1909 C THR A1006 -4.284 10.288 -6.252 1.00 31.35 C ATOM 1910 O THR A1006 -3.051 10.297 -6.070 1.00 23.34 O ATOM 1911 CB THR A1006 -5.232 11.259 -8.413 1.00 72.13 C ATOM 1912 OG1 THR A1006 -6.400 11.857 -7.836 1.00 72.30 O ATOM 1913 CG2 THR A1006 -5.483 10.980 -9.908 1.00 4.44 C ATOM 0 H THR A1006 -6.933 9.492 -7.555 1.00 74.04 H new ATOM 0 HA THR A1006 -4.114 9.435 -8.229 1.00 4.45 H new ATOM 0 HB THR A1006 -4.385 11.941 -8.334 1.00 72.13 H new ATOM 0 HG1 THR A1006 -6.734 11.289 -7.110 1.00 72.30 H new ATOM 0 HG21 THR A1006 -5.734 11.912 -10.415 1.00 4.44 H new ATOM 0 HG22 THR A1006 -4.584 10.555 -10.355 1.00 4.44 H new ATOM 0 HG23 THR A1006 -6.308 10.276 -10.013 1.00 4.44 H new ATOM 1921 N ARG A1007 -5.190 10.546 -5.276 1.00 14.01 N ATOM 1922 CA ARG A1007 -4.819 10.658 -3.847 1.00 34.32 C ATOM 1923 C ARG A1007 -4.124 9.360 -3.370 1.00 11.03 C ATOM 1924 O ARG A1007 -3.135 9.400 -2.625 1.00 43.02 O ATOM 1925 CB ARG A1007 -6.072 10.937 -2.971 1.00 52.11 C ATOM 1926 CG ARG A1007 -6.716 12.331 -3.138 1.00 34.11 C ATOM 1927 CD ARG A1007 -5.752 13.469 -2.763 1.00 61.34 C ATOM 1928 NE ARG A1007 -5.136 13.276 -1.433 1.00 42.20 N ATOM 1929 CZ ARG A1007 -3.873 13.610 -1.110 1.00 52.54 C ATOM 1930 NH1 ARG A1007 -3.056 14.157 -2.010 1.00 4.13 N ATOM 1931 NH2 ARG A1007 -3.421 13.359 0.105 1.00 42.24 N ATOM 0 H ARG A1007 -6.185 10.680 -5.456 1.00 14.01 H new ATOM 0 HA ARG A1007 -4.128 11.494 -3.741 1.00 34.32 H new ATOM 0 HB2 ARG A1007 -6.824 10.181 -3.196 1.00 52.11 H new ATOM 0 HB3 ARG A1007 -5.795 10.809 -1.924 1.00 52.11 H new ATOM 0 HG2 ARG A1007 -7.039 12.458 -4.171 1.00 34.11 H new ATOM 0 HG3 ARG A1007 -7.608 12.394 -2.515 1.00 34.11 H new ATOM 0 HD2 ARG A1007 -4.967 13.539 -3.516 1.00 61.34 H new ATOM 0 HD3 ARG A1007 -6.291 14.416 -2.776 1.00 61.34 H new ATOM 0 HE ARG A1007 -5.713 12.857 -0.704 1.00 42.20 H new ATOM 0 HH11 ARG A1007 -3.385 14.328 -2.960 1.00 4.13 H new ATOM 0 HH12 ARG A1007 -2.102 14.404 -1.749 1.00 4.13 H new ATOM 0 HH21 ARG A1007 -4.028 12.914 0.793 1.00 42.24 H new ATOM 0 HH22 ARG A1007 -2.465 13.610 0.355 1.00 42.24 H new ATOM 1945 N TRP A1008 -4.663 8.227 -3.847 1.00 33.32 N ATOM 1946 CA TRP A1008 -4.125 6.884 -3.602 1.00 73.14 C ATOM 1947 C TRP A1008 -2.699 6.755 -4.167 1.00 64.45 C ATOM 1948 O TRP A1008 -1.795 6.428 -3.414 1.00 12.32 O ATOM 1949 CB TRP A1008 -5.128 5.826 -4.176 1.00 23.04 C ATOM 1950 CG TRP A1008 -4.588 4.486 -4.632 1.00 52.41 C ATOM 1951 CD1 TRP A1008 -4.031 4.209 -5.848 1.00 4.43 C ATOM 1952 CD2 TRP A1008 -4.649 3.234 -3.938 1.00 31.45 C ATOM 1953 NE1 TRP A1008 -3.687 2.897 -5.922 1.00 61.41 N ATOM 1954 CE2 TRP A1008 -4.075 2.269 -4.778 1.00 34.22 C ATOM 1955 CE3 TRP A1008 -5.115 2.841 -2.692 1.00 51.34 C ATOM 1956 CZ2 TRP A1008 -3.952 0.939 -4.414 1.00 63.43 C ATOM 1957 CZ3 TRP A1008 -5.006 1.519 -2.332 1.00 73.30 C ATOM 1958 CH2 TRP A1008 -4.429 0.579 -3.192 1.00 52.13 C ATOM 0 H TRP A1008 -5.503 8.221 -4.426 1.00 33.32 H new ATOM 0 HA TRP A1008 -4.029 6.698 -2.532 1.00 73.14 H new ATOM 0 HB2 TRP A1008 -5.882 5.636 -3.412 1.00 23.04 H new ATOM 0 HB3 TRP A1008 -5.641 6.282 -5.023 1.00 23.04 H new ATOM 0 HD1 TRP A1008 -3.885 4.930 -6.638 1.00 4.43 H new ATOM 0 HE1 TRP A1008 -3.214 2.453 -6.709 1.00 61.41 H new ATOM 0 HE3 TRP A1008 -5.555 3.560 -2.017 1.00 51.34 H new ATOM 0 HZ2 TRP A1008 -3.496 0.216 -5.074 1.00 63.43 H new ATOM 0 HZ3 TRP A1008 -5.373 1.200 -1.367 1.00 73.30 H new ATOM 0 HH2 TRP A1008 -4.361 -0.453 -2.880 1.00 52.13 H new ATOM 1969 N LEU A1009 -2.502 7.080 -5.473 1.00 25.12 N ATOM 1970 CA LEU A1009 -1.200 6.906 -6.169 1.00 65.01 C ATOM 1971 C LEU A1009 -0.102 7.769 -5.531 1.00 42.11 C ATOM 1972 O LEU A1009 1.036 7.315 -5.405 1.00 30.42 O ATOM 1973 CB LEU A1009 -1.302 7.215 -7.699 1.00 51.30 C ATOM 1974 CG LEU A1009 -2.151 6.219 -8.555 1.00 15.13 C ATOM 1975 CD1 LEU A1009 -2.226 6.660 -10.026 1.00 75.53 C ATOM 1976 CD2 LEU A1009 -1.636 4.771 -8.443 1.00 35.44 C ATOM 0 H LEU A1009 -3.235 7.467 -6.068 1.00 25.12 H new ATOM 0 HA LEU A1009 -0.929 5.856 -6.056 1.00 65.01 H new ATOM 0 HB2 LEU A1009 -1.723 8.213 -7.818 1.00 51.30 H new ATOM 0 HB3 LEU A1009 -0.293 7.244 -8.110 1.00 51.30 H new ATOM 0 HG LEU A1009 -3.161 6.238 -8.145 1.00 15.13 H new ATOM 0 HD11 LEU A1009 -2.824 5.944 -10.590 1.00 75.53 H new ATOM 0 HD12 LEU A1009 -2.687 7.646 -10.087 1.00 75.53 H new ATOM 0 HD13 LEU A1009 -1.221 6.703 -10.445 1.00 75.53 H new ATOM 0 HD21 LEU A1009 -2.257 4.116 -9.054 1.00 35.44 H new ATOM 0 HD22 LEU A1009 -0.605 4.724 -8.792 1.00 35.44 H new ATOM 0 HD23 LEU A1009 -1.682 4.448 -7.403 1.00 35.44 H new ATOM 1988 N THR A1010 -0.446 9.008 -5.122 1.00 62.44 N ATOM 1989 CA THR A1010 0.526 9.910 -4.480 1.00 33.31 C ATOM 1990 C THR A1010 0.820 9.463 -3.027 1.00 23.55 C ATOM 1991 O THR A1010 1.925 9.684 -2.526 1.00 45.10 O ATOM 1992 CB THR A1010 0.083 11.414 -4.530 1.00 52.01 C ATOM 1993 OG1 THR A1010 1.174 12.258 -4.122 1.00 64.40 O ATOM 1994 CG2 THR A1010 -1.137 11.716 -3.646 1.00 43.04 C ATOM 0 H THR A1010 -1.381 9.402 -5.225 1.00 62.44 H new ATOM 0 HA THR A1010 1.448 9.839 -5.057 1.00 33.31 H new ATOM 0 HB THR A1010 -0.203 11.617 -5.562 1.00 52.01 H new ATOM 0 HG1 THR A1010 0.893 13.196 -4.157 1.00 64.40 H new ATOM 0 HG21 THR A1010 -1.392 12.773 -3.726 1.00 43.04 H new ATOM 0 HG22 THR A1010 -1.983 11.113 -3.975 1.00 43.04 H new ATOM 0 HG23 THR A1010 -0.903 11.477 -2.609 1.00 43.04 H new ATOM 2002 N ALA A1011 -0.179 8.831 -2.361 1.00 43.00 N ATOM 2003 CA ALA A1011 -0.006 8.264 -1.008 1.00 72.42 C ATOM 2004 C ALA A1011 0.822 6.959 -1.061 1.00 64.03 C ATOM 2005 O ALA A1011 1.529 6.636 -0.098 1.00 3.43 O ATOM 2006 CB ALA A1011 -1.371 8.023 -0.341 1.00 65.33 C ATOM 0 H ALA A1011 -1.115 8.703 -2.745 1.00 43.00 H new ATOM 0 HA ALA A1011 0.543 8.986 -0.403 1.00 72.42 H new ATOM 0 HB1 ALA A1011 -1.221 7.605 0.654 1.00 65.33 H new ATOM 0 HB2 ALA A1011 -1.909 8.968 -0.261 1.00 65.33 H new ATOM 0 HB3 ALA A1011 -1.952 7.325 -0.944 1.00 65.33 H new ATOM 2012 N LEU A1012 0.730 6.224 -2.200 1.00 11.55 N ATOM 2013 CA LEU A1012 1.552 5.022 -2.455 1.00 75.54 C ATOM 2014 C LEU A1012 3.009 5.446 -2.657 1.00 74.53 C ATOM 2015 O LEU A1012 3.920 4.893 -2.065 1.00 75.22 O ATOM 2016 CB LEU A1012 1.092 4.238 -3.724 1.00 0.32 C ATOM 2017 CG LEU A1012 -0.363 3.684 -3.758 1.00 42.02 C ATOM 2018 CD1 LEU A1012 -0.533 2.679 -4.918 1.00 42.32 C ATOM 2019 CD2 LEU A1012 -0.790 3.079 -2.400 1.00 71.12 C ATOM 0 H LEU A1012 0.087 6.450 -2.959 1.00 11.55 H new ATOM 0 HA LEU A1012 1.439 4.365 -1.592 1.00 75.54 H new ATOM 0 HB2 LEU A1012 1.219 4.894 -4.585 1.00 0.32 H new ATOM 0 HB3 LEU A1012 1.772 3.397 -3.861 1.00 0.32 H new ATOM 0 HG LEU A1012 -1.034 4.524 -3.940 1.00 42.02 H new ATOM 0 HD11 LEU A1012 -1.556 2.302 -4.926 1.00 42.32 H new ATOM 0 HD12 LEU A1012 -0.322 3.177 -5.864 1.00 42.32 H new ATOM 0 HD13 LEU A1012 0.159 1.847 -4.783 1.00 42.32 H new ATOM 0 HD21 LEU A1012 -1.812 2.706 -2.473 1.00 71.12 H new ATOM 0 HD22 LEU A1012 -0.121 2.258 -2.141 1.00 71.12 H new ATOM 0 HD23 LEU A1012 -0.738 3.846 -1.628 1.00 71.12 H new ATOM 2031 N ASP A1013 3.180 6.464 -3.515 1.00 73.20 N ATOM 2032 CA ASP A1013 4.480 7.059 -3.859 1.00 43.32 C ATOM 2033 C ASP A1013 5.175 7.590 -2.587 1.00 10.51 C ATOM 2034 O ASP A1013 6.393 7.408 -2.398 1.00 74.33 O ATOM 2035 CB ASP A1013 4.229 8.191 -4.892 1.00 3.41 C ATOM 2036 CG ASP A1013 5.503 8.801 -5.496 1.00 62.14 C ATOM 2037 OD1 ASP A1013 5.815 9.981 -5.206 1.00 64.32 O ATOM 2038 OD2 ASP A1013 6.190 8.109 -6.280 1.00 70.33 O ATOM 0 H ASP A1013 2.399 6.906 -4.000 1.00 73.20 H new ATOM 0 HA ASP A1013 5.144 6.314 -4.297 1.00 43.32 H new ATOM 0 HB2 ASP A1013 3.612 7.797 -5.700 1.00 3.41 H new ATOM 0 HB3 ASP A1013 3.656 8.983 -4.411 1.00 3.41 H new ATOM 2043 N ASN A1014 4.356 8.214 -1.707 1.00 31.51 N ATOM 2044 CA ASN A1014 4.778 8.727 -0.388 1.00 65.00 C ATOM 2045 C ASN A1014 5.260 7.580 0.516 1.00 42.21 C ATOM 2046 O ASN A1014 6.334 7.675 1.118 1.00 14.44 O ATOM 2047 CB ASN A1014 3.609 9.498 0.292 1.00 74.43 C ATOM 2048 CG ASN A1014 3.906 9.918 1.744 1.00 44.00 C ATOM 2049 OD1 ASN A1014 4.510 10.965 1.991 1.00 0.23 O ATOM 2050 ND2 ASN A1014 3.466 9.116 2.708 1.00 32.33 N ATOM 0 H ASN A1014 3.368 8.376 -1.900 1.00 31.51 H new ATOM 0 HA ASN A1014 5.610 9.415 -0.539 1.00 65.00 H new ATOM 0 HB2 ASN A1014 3.382 10.388 -0.295 1.00 74.43 H new ATOM 0 HB3 ASN A1014 2.717 8.872 0.279 1.00 74.43 H new ATOM 0 HD21 ASN A1014 3.624 9.359 3.686 1.00 32.33 H new ATOM 0 HD22 ASN A1014 2.970 8.257 2.470 1.00 32.33 H new ATOM 2057 N PHE A1015 4.451 6.501 0.594 1.00 34.01 N ATOM 2058 CA PHE A1015 4.754 5.325 1.418 1.00 53.23 C ATOM 2059 C PHE A1015 6.074 4.685 0.965 1.00 64.22 C ATOM 2060 O PHE A1015 7.004 4.589 1.755 1.00 64.31 O ATOM 2061 CB PHE A1015 3.589 4.306 1.353 1.00 43.44 C ATOM 2062 CG PHE A1015 3.901 2.935 1.976 1.00 34.12 C ATOM 2063 CD1 PHE A1015 4.172 1.842 1.167 1.00 23.22 C ATOM 2064 CD2 PHE A1015 3.902 2.743 3.354 1.00 53.32 C ATOM 2065 CE1 PHE A1015 4.442 0.613 1.692 1.00 52.40 C ATOM 2066 CE2 PHE A1015 4.180 1.500 3.889 1.00 2.34 C ATOM 2067 CZ PHE A1015 4.440 0.432 3.054 1.00 3.12 C ATOM 0 H PHE A1015 3.570 6.427 0.085 1.00 34.01 H new ATOM 0 HA PHE A1015 4.868 5.640 2.455 1.00 53.23 H new ATOM 0 HB2 PHE A1015 2.723 4.732 1.860 1.00 43.44 H new ATOM 0 HB3 PHE A1015 3.309 4.161 0.310 1.00 43.44 H new ATOM 0 HD1 PHE A1015 4.169 1.967 0.094 1.00 23.22 H new ATOM 0 HD2 PHE A1015 3.684 3.572 4.011 1.00 53.32 H new ATOM 0 HE1 PHE A1015 4.657 -0.218 1.037 1.00 52.40 H new ATOM 0 HE2 PHE A1015 4.194 1.364 4.960 1.00 2.34 H new ATOM 0 HZ PHE A1015 4.641 -0.544 3.470 1.00 3.12 H new ATOM 2077 N GLU A1016 6.109 4.268 -0.316 1.00 70.31 N ATOM 2078 CA GLU A1016 7.262 3.626 -0.976 1.00 15.33 C ATOM 2079 C GLU A1016 8.561 4.398 -0.677 1.00 1.42 C ATOM 2080 O GLU A1016 9.514 3.826 -0.128 1.00 50.21 O ATOM 2081 CB GLU A1016 6.987 3.539 -2.523 1.00 4.40 C ATOM 2082 CG GLU A1016 7.865 2.535 -3.330 1.00 63.13 C ATOM 2083 CD GLU A1016 9.378 2.859 -3.363 1.00 40.10 C ATOM 2084 OE1 GLU A1016 9.752 3.944 -3.853 1.00 4.32 O ATOM 2085 OE2 GLU A1016 10.196 2.027 -2.902 1.00 74.24 O ATOM 0 H GLU A1016 5.309 4.372 -0.940 1.00 70.31 H new ATOM 0 HA GLU A1016 7.391 2.617 -0.585 1.00 15.33 H new ATOM 0 HB2 GLU A1016 5.941 3.271 -2.669 1.00 4.40 H new ATOM 0 HB3 GLU A1016 7.124 4.532 -2.950 1.00 4.40 H new ATOM 0 HG2 GLU A1016 7.732 1.540 -2.906 1.00 63.13 H new ATOM 0 HG3 GLU A1016 7.496 2.497 -4.355 1.00 63.13 H new ATOM 2092 N ALA A1017 8.560 5.700 -1.020 1.00 34.10 N ATOM 2093 CA ALA A1017 9.745 6.563 -0.893 1.00 53.20 C ATOM 2094 C ALA A1017 10.220 6.676 0.574 1.00 52.13 C ATOM 2095 O ALA A1017 11.376 6.372 0.887 1.00 1.03 O ATOM 2096 CB ALA A1017 9.448 7.953 -1.473 1.00 4.10 C ATOM 0 H ALA A1017 7.740 6.180 -1.391 1.00 34.10 H new ATOM 0 HA ALA A1017 10.555 6.104 -1.460 1.00 53.20 H new ATOM 0 HB1 ALA A1017 10.331 8.585 -1.374 1.00 4.10 H new ATOM 0 HB2 ALA A1017 9.185 7.859 -2.527 1.00 4.10 H new ATOM 0 HB3 ALA A1017 8.617 8.404 -0.930 1.00 4.10 H new ATOM 2102 N LYS A1018 9.287 7.066 1.468 1.00 3.25 N ATOM 2103 CA LYS A1018 9.594 7.359 2.889 1.00 43.13 C ATOM 2104 C LYS A1018 9.904 6.081 3.684 1.00 33.41 C ATOM 2105 O LYS A1018 10.627 6.126 4.694 1.00 11.52 O ATOM 2106 CB LYS A1018 8.440 8.170 3.561 1.00 3.24 C ATOM 2107 CG LYS A1018 8.482 9.700 3.316 1.00 61.30 C ATOM 2108 CD LYS A1018 8.431 10.096 1.819 1.00 55.32 C ATOM 2109 CE LYS A1018 8.448 11.615 1.609 1.00 14.51 C ATOM 2110 NZ LYS A1018 7.267 12.262 2.237 1.00 22.22 N ATOM 0 H LYS A1018 8.303 7.187 1.229 1.00 3.25 H new ATOM 0 HA LYS A1018 10.493 7.975 2.902 1.00 43.13 H new ATOM 0 HB2 LYS A1018 7.487 7.786 3.197 1.00 3.24 H new ATOM 0 HB3 LYS A1018 8.468 7.989 4.636 1.00 3.24 H new ATOM 0 HG2 LYS A1018 7.643 10.164 3.834 1.00 61.30 H new ATOM 0 HG3 LYS A1018 9.393 10.104 3.758 1.00 61.30 H new ATOM 0 HD2 LYS A1018 9.281 9.652 1.301 1.00 55.32 H new ATOM 0 HD3 LYS A1018 7.530 9.681 1.368 1.00 55.32 H new ATOM 0 HE2 LYS A1018 9.362 12.032 2.033 1.00 14.51 H new ATOM 0 HE3 LYS A1018 8.461 11.836 0.542 1.00 14.51 H new ATOM 0 HZ1 LYS A1018 7.127 13.205 1.822 1.00 22.22 H new ATOM 0 HZ2 LYS A1018 6.422 11.680 2.068 1.00 22.22 H new ATOM 0 HZ3 LYS A1018 7.425 12.354 3.261 1.00 22.22 H new ATOM 2124 N MET A1019 9.383 4.937 3.222 1.00 64.31 N ATOM 2125 CA MET A1019 9.633 3.658 3.895 1.00 42.13 C ATOM 2126 C MET A1019 10.919 3.003 3.350 1.00 50.43 C ATOM 2127 O MET A1019 11.488 2.112 3.990 1.00 62.41 O ATOM 2128 CB MET A1019 8.416 2.695 3.836 1.00 1.24 C ATOM 2129 CG MET A1019 8.321 1.785 2.600 1.00 74.45 C ATOM 2130 SD MET A1019 7.697 0.152 3.023 1.00 43.40 S ATOM 2131 CE MET A1019 8.842 -0.299 4.321 1.00 41.11 C ATOM 0 H MET A1019 8.792 4.871 2.393 1.00 64.31 H new ATOM 0 HA MET A1019 9.783 3.873 4.953 1.00 42.13 H new ATOM 0 HB2 MET A1019 8.437 2.063 4.724 1.00 1.24 H new ATOM 0 HB3 MET A1019 7.506 3.292 3.891 1.00 1.24 H new ATOM 0 HG2 MET A1019 7.666 2.244 1.859 1.00 74.45 H new ATOM 0 HG3 MET A1019 9.305 1.691 2.141 1.00 74.45 H new ATOM 0 HE1 MET A1019 8.798 -1.375 4.487 1.00 41.11 H new ATOM 0 HE2 MET A1019 9.853 -0.018 4.028 1.00 41.11 H new ATOM 0 HE3 MET A1019 8.573 0.221 5.240 1.00 41.11 H new ATOM 2141 N ALA A1020 11.352 3.441 2.149 1.00 53.43 N ATOM 2142 CA ALA A1020 12.701 3.156 1.631 1.00 61.42 C ATOM 2143 C ALA A1020 13.725 4.048 2.357 1.00 71.04 C ATOM 2144 O ALA A1020 14.909 3.711 2.428 1.00 40.41 O ATOM 2145 CB ALA A1020 12.759 3.372 0.108 1.00 33.01 C ATOM 0 H ALA A1020 10.778 3.999 1.517 1.00 53.43 H new ATOM 0 HA ALA A1020 12.945 2.111 1.821 1.00 61.42 H new ATOM 0 HB1 ALA A1020 13.765 3.156 -0.252 1.00 33.01 H new ATOM 0 HB2 ALA A1020 12.047 2.707 -0.381 1.00 33.01 H new ATOM 0 HB3 ALA A1020 12.506 4.407 -0.123 1.00 33.01 H new ATOM 2151 N LEU A1021 13.248 5.210 2.874 1.00 71.32 N ATOM 2152 CA LEU A1021 14.044 6.085 3.758 1.00 13.42 C ATOM 2153 C LEU A1021 14.160 5.498 5.183 1.00 72.20 C ATOM 2154 O LEU A1021 15.163 5.766 5.847 1.00 33.50 O ATOM 2155 CB LEU A1021 13.451 7.525 3.833 1.00 72.12 C ATOM 2156 CG LEU A1021 13.434 8.338 2.502 1.00 14.33 C ATOM 2157 CD1 LEU A1021 12.799 9.733 2.703 1.00 25.24 C ATOM 2158 CD2 LEU A1021 14.851 8.448 1.895 1.00 31.35 C ATOM 0 H LEU A1021 12.308 5.560 2.689 1.00 71.32 H new ATOM 0 HA LEU A1021 15.040 6.143 3.320 1.00 13.42 H new ATOM 0 HB2 LEU A1021 12.428 7.454 4.203 1.00 72.12 H new ATOM 0 HB3 LEU A1021 14.019 8.090 4.572 1.00 72.12 H new ATOM 0 HG LEU A1021 12.812 7.794 1.791 1.00 14.33 H new ATOM 0 HD11 LEU A1021 12.802 10.274 1.757 1.00 25.24 H new ATOM 0 HD12 LEU A1021 11.773 9.619 3.052 1.00 25.24 H new ATOM 0 HD13 LEU A1021 13.374 10.291 3.442 1.00 25.24 H new ATOM 0 HD21 LEU A1021 14.806 9.020 0.968 1.00 31.35 H new ATOM 0 HD22 LEU A1021 15.511 8.952 2.601 1.00 31.35 H new ATOM 0 HD23 LEU A1021 15.236 7.450 1.687 1.00 31.35 H new ATOM 2170 N LEU A1022 13.114 4.739 5.652 1.00 72.01 N ATOM 2171 CA LEU A1022 13.146 4.017 6.972 1.00 61.13 C ATOM 2172 C LEU A1022 14.460 3.207 7.160 1.00 12.32 C ATOM 2173 O LEU A1022 14.610 2.146 6.545 1.00 32.24 O ATOM 2174 CB LEU A1022 11.938 3.026 7.136 1.00 24.21 C ATOM 2175 CG LEU A1022 10.518 3.623 7.398 1.00 60.22 C ATOM 2176 CD1 LEU A1022 9.449 2.502 7.471 1.00 63.15 C ATOM 2177 CD2 LEU A1022 10.486 4.474 8.674 1.00 43.24 C ATOM 0 H LEU A1022 12.243 4.612 5.137 1.00 72.01 H new ATOM 0 HA LEU A1022 13.082 4.798 7.730 1.00 61.13 H new ATOM 0 HB2 LEU A1022 11.881 2.419 6.232 1.00 24.21 H new ATOM 0 HB3 LEU A1022 12.172 2.351 7.959 1.00 24.21 H new ATOM 0 HG LEU A1022 10.283 4.274 6.556 1.00 60.22 H new ATOM 0 HD11 LEU A1022 8.470 2.944 7.654 1.00 63.15 H new ATOM 0 HD12 LEU A1022 9.430 1.956 6.528 1.00 63.15 H new ATOM 0 HD13 LEU A1022 9.695 1.817 8.282 1.00 63.15 H new ATOM 0 HD21 LEU A1022 9.482 4.871 8.821 1.00 43.24 H new ATOM 0 HD22 LEU A1022 10.761 3.857 9.530 1.00 43.24 H new ATOM 0 HD23 LEU A1022 11.192 5.299 8.579 1.00 43.24 H new ATOM 2189 N PRO A1023 15.423 3.675 8.023 1.00 61.54 N ATOM 2190 CA PRO A1023 16.663 2.941 8.315 1.00 63.11 C ATOM 2191 C PRO A1023 16.554 2.111 9.618 1.00 10.42 C ATOM 2192 O PRO A1023 17.567 1.655 10.163 1.00 20.14 O ATOM 2193 CB PRO A1023 17.683 4.104 8.430 1.00 53.43 C ATOM 2194 CG PRO A1023 16.886 5.318 8.898 1.00 51.50 C ATOM 2195 CD PRO A1023 15.402 4.956 8.791 1.00 73.22 C ATOM 0 HA PRO A1023 16.931 2.196 7.566 1.00 63.11 H new ATOM 0 HB2 PRO A1023 18.474 3.860 9.139 1.00 53.43 H new ATOM 0 HB3 PRO A1023 18.163 4.298 7.471 1.00 53.43 H new ATOM 0 HG2 PRO A1023 17.146 5.576 9.925 1.00 51.50 H new ATOM 0 HG3 PRO A1023 17.115 6.188 8.283 1.00 51.50 H new ATOM 0 HD2 PRO A1023 14.945 4.830 9.773 1.00 73.22 H new ATOM 0 HD3 PRO A1023 14.835 5.728 8.272 1.00 73.22 H new ATOM 2203 N ALA A1024 15.305 1.918 10.093 1.00 61.25 N ATOM 2204 CA ALA A1024 15.012 1.207 11.345 1.00 13.32 C ATOM 2205 C ALA A1024 15.047 -0.314 11.110 1.00 13.31 C ATOM 2206 O ALA A1024 15.935 -1.009 11.609 1.00 60.10 O ATOM 2207 CB ALA A1024 13.653 1.662 11.914 1.00 63.20 C ATOM 0 H ALA A1024 14.471 2.255 9.612 1.00 61.25 H new ATOM 0 HA ALA A1024 15.777 1.450 12.083 1.00 13.32 H new ATOM 0 HB1 ALA A1024 13.449 1.127 12.841 1.00 63.20 H new ATOM 0 HB2 ALA A1024 13.682 2.733 12.112 1.00 63.20 H new ATOM 0 HB3 ALA A1024 12.866 1.448 11.191 1.00 63.20 H new ATOM 2213 N VAL A1025 14.094 -0.809 10.303 1.00 12.41 N ATOM 2214 CA VAL A1025 13.974 -2.239 9.973 1.00 65.01 C ATOM 2215 C VAL A1025 14.948 -2.568 8.819 1.00 23.45 C ATOM 2216 O VAL A1025 15.979 -3.228 9.066 1.00 53.43 O ATOM 2217 CB VAL A1025 12.491 -2.620 9.583 1.00 21.31 C ATOM 2218 CG1 VAL A1025 12.328 -4.150 9.360 1.00 32.52 C ATOM 2219 CG2 VAL A1025 11.497 -2.095 10.647 1.00 14.01 C ATOM 2220 OXT VAL A1025 14.701 -2.106 7.684 1.00 37.67 O ATOM 0 H VAL A1025 13.383 -0.227 9.860 1.00 12.41 H new ATOM 0 HA VAL A1025 14.233 -2.830 10.852 1.00 65.01 H new ATOM 0 HB VAL A1025 12.261 -2.135 8.634 1.00 21.31 H new ATOM 0 HG11 VAL A1025 11.294 -4.371 9.094 1.00 32.52 H new ATOM 0 HG12 VAL A1025 12.987 -4.472 8.554 1.00 32.52 H new ATOM 0 HG13 VAL A1025 12.588 -4.681 10.276 1.00 32.52 H new ATOM 0 HG21 VAL A1025 10.481 -2.367 10.361 1.00 14.01 H new ATOM 0 HG22 VAL A1025 11.733 -2.538 11.615 1.00 14.01 H new ATOM 0 HG23 VAL A1025 11.577 -1.010 10.715 1.00 14.01 H new TER 2230 VAL A1025